smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000962940519 717633857 /nfs/dbraw/zinc/63/38/57/717633857.db2.gz BGYBJOFSEJRSPY-QLPKVWCKSA-N 2 1 317.433 1.967 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943771281 718186716 /nfs/dbraw/zinc/18/67/16/718186716.db2.gz GBMPFFMCCIDWNG-PBHICJAKSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943771281 718186718 /nfs/dbraw/zinc/18/67/18/718186718.db2.gz GBMPFFMCCIDWNG-PBHICJAKSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947883231 719297633 /nfs/dbraw/zinc/29/76/33/719297633.db2.gz ZSYQHRMVXPACIC-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947939465 719312866 /nfs/dbraw/zinc/31/28/66/719312866.db2.gz IHYLCJSAIXLKCP-KBPBESRZSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C[C@@H]1C ZINC000948069048 719348967 /nfs/dbraw/zinc/34/89/67/719348967.db2.gz AYTKPSVGKRNHRU-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364746 719469138 /nfs/dbraw/zinc/46/91/38/719469138.db2.gz JFOVDZPJFICVQX-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364746 719469139 /nfs/dbraw/zinc/46/91/39/719469139.db2.gz JFOVDZPJFICVQX-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364746 719469141 /nfs/dbraw/zinc/46/91/41/719469141.db2.gz JFOVDZPJFICVQX-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948741797 719681428 /nfs/dbraw/zinc/68/14/28/719681428.db2.gz FMTYQSGDGUQHLA-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949317613 720013784 /nfs/dbraw/zinc/01/37/84/720013784.db2.gz UJAGGVXXDRPKQP-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949317613 720013788 /nfs/dbraw/zinc/01/37/88/720013788.db2.gz UJAGGVXXDRPKQP-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949317613 720013791 /nfs/dbraw/zinc/01/37/91/720013791.db2.gz UJAGGVXXDRPKQP-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970214953 720665038 /nfs/dbraw/zinc/66/50/38/720665038.db2.gz VMMMQZQVWXZXLH-HNNXBMFYSA-N 2 1 313.445 1.474 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023570031 735317478 /nfs/dbraw/zinc/31/74/78/735317478.db2.gz ZRORLTQKIIOITK-CQSZACIVSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023570031 735317482 /nfs/dbraw/zinc/31/74/82/735317482.db2.gz ZRORLTQKIIOITK-CQSZACIVSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120878750 782203745 /nfs/dbraw/zinc/20/37/45/782203745.db2.gz LCJLBUVLIDZQBJ-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120878750 782203752 /nfs/dbraw/zinc/20/37/52/782203752.db2.gz LCJLBUVLIDZQBJ-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023651109 735373902 /nfs/dbraw/zinc/37/39/02/735373902.db2.gz INOCJZTYNMGWCL-KRWDZBQOSA-N 2 1 313.445 1.823 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023757719 735442459 /nfs/dbraw/zinc/44/24/59/735442459.db2.gz NHSPREPTXZABPT-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757719 735442460 /nfs/dbraw/zinc/44/24/60/735442460.db2.gz NHSPREPTXZABPT-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757719 735442461 /nfs/dbraw/zinc/44/24/61/735442461.db2.gz NHSPREPTXZABPT-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757719 735442462 /nfs/dbraw/zinc/44/24/62/735442462.db2.gz NHSPREPTXZABPT-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615467 738469989 /nfs/dbraw/zinc/46/99/89/738469989.db2.gz TVCPFGWLRJPWPN-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615467 738469990 /nfs/dbraw/zinc/46/99/90/738469990.db2.gz TVCPFGWLRJPWPN-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001039042524 732492189 /nfs/dbraw/zinc/49/21/89/732492189.db2.gz SIXRJSUGBBJGJT-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232529 732847543 /nfs/dbraw/zinc/84/75/43/732847543.db2.gz GEFQGMKMVIZAHQ-INIZCTEOSA-N 2 1 323.481 1.407 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039144727 732889219 /nfs/dbraw/zinc/88/92/19/732889219.db2.gz NOJKQLPJPUZQOL-QGZVFWFLSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039144727 732889221 /nfs/dbraw/zinc/88/92/21/732889221.db2.gz NOJKQLPJPUZQOL-QGZVFWFLSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351777 733274547 /nfs/dbraw/zinc/27/45/47/733274547.db2.gz LZRABYCHYRGGRL-UHFFFAOYSA-N 2 1 302.422 1.516 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604667 733363269 /nfs/dbraw/zinc/36/32/69/733363269.db2.gz FWZVTSTZXIAPLV-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604667 733363274 /nfs/dbraw/zinc/36/32/74/733363274.db2.gz FWZVTSTZXIAPLV-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604667 733363279 /nfs/dbraw/zinc/36/32/79/733363279.db2.gz FWZVTSTZXIAPLV-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167461127 733678169 /nfs/dbraw/zinc/67/81/69/733678169.db2.gz ZKIGWCGSDOWQOH-UHFFFAOYSA-N 2 1 309.454 1.161 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023452134 735247588 /nfs/dbraw/zinc/24/75/88/735247588.db2.gz RGLPASQWFPPDQI-JKSUJKDBSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516083 735893174 /nfs/dbraw/zinc/89/31/74/735893174.db2.gz GHYRPVQHHKYKIM-JKSUJKDBSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087317954 736079128 /nfs/dbraw/zinc/07/91/28/736079128.db2.gz PDRYLVOITGWRKS-DJIMGWMZSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccnc3C)C(C)(C)[C@H]21 ZINC001087318208 736085610 /nfs/dbraw/zinc/08/56/10/736085610.db2.gz SSNYAILWJJLVRK-OIISXLGYSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087318208 736085612 /nfs/dbraw/zinc/08/56/12/736085612.db2.gz SSNYAILWJJLVRK-OIISXLGYSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087318208 736085616 /nfs/dbraw/zinc/08/56/16/736085616.db2.gz SSNYAILWJJLVRK-OIISXLGYSA-N 2 1 316.449 1.983 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007622024 736511985 /nfs/dbraw/zinc/51/19/85/736511985.db2.gz BGTGOTGIUMSRNY-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007622024 736511988 /nfs/dbraw/zinc/51/19/88/736511988.db2.gz BGTGOTGIUMSRNY-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007622024 736511991 /nfs/dbraw/zinc/51/19/91/736511991.db2.gz BGTGOTGIUMSRNY-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007622024 736511994 /nfs/dbraw/zinc/51/19/94/736511994.db2.gz BGTGOTGIUMSRNY-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486155 736719699 /nfs/dbraw/zinc/71/96/99/736719699.db2.gz SESSRYIUTLRTNB-HUUCEWRRSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028755534 739995835 /nfs/dbraw/zinc/99/58/35/739995835.db2.gz RMNBYWANBOXFGU-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028755534 739995838 /nfs/dbraw/zinc/99/58/38/739995838.db2.gz RMNBYWANBOXFGU-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028755534 739995840 /nfs/dbraw/zinc/99/58/40/739995840.db2.gz RMNBYWANBOXFGU-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766813 740010507 /nfs/dbraw/zinc/01/05/07/740010507.db2.gz DMURYCHLSHITST-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766813 740010510 /nfs/dbraw/zinc/01/05/10/740010510.db2.gz DMURYCHLSHITST-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800129 740057727 /nfs/dbraw/zinc/05/77/27/740057727.db2.gz PDYRFRSTIJJOTA-LSDHHAIUSA-N 2 1 302.422 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800129 740057731 /nfs/dbraw/zinc/05/77/31/740057731.db2.gz PDYRFRSTIJJOTA-LSDHHAIUSA-N 2 1 302.422 1.378 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)[C@@H]1CC ZINC001087606970 740675074 /nfs/dbraw/zinc/67/50/74/740675074.db2.gz CGJREHIKPFZKJB-XHSDSOJGSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087660074 740698421 /nfs/dbraw/zinc/69/84/21/740698421.db2.gz QRWXSELPEQGCQE-DLBZAZTESA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908935 740846870 /nfs/dbraw/zinc/84/68/70/740846870.db2.gz SSUJYTRFEQRYSR-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908935 740846872 /nfs/dbraw/zinc/84/68/72/740846872.db2.gz SSUJYTRFEQRYSR-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908935 740846877 /nfs/dbraw/zinc/84/68/77/740846877.db2.gz SSUJYTRFEQRYSR-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106705 741034504 /nfs/dbraw/zinc/03/45/04/741034504.db2.gz NEQUJMSLVFVIBW-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106705 741034508 /nfs/dbraw/zinc/03/45/08/741034508.db2.gz NEQUJMSLVFVIBW-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106705 741034510 /nfs/dbraw/zinc/03/45/10/741034510.db2.gz NEQUJMSLVFVIBW-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC=C)CC1 ZINC001029596817 741131411 /nfs/dbraw/zinc/13/14/11/741131411.db2.gz ACOSGAHRDPYMOH-CALCHBBNSA-N 2 1 301.434 1.193 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881108 741625023 /nfs/dbraw/zinc/62/50/23/741625023.db2.gz DNMHXFVSMILMBE-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881108 741625020 /nfs/dbraw/zinc/62/50/20/741625020.db2.gz DNMHXFVSMILMBE-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881108 741625026 /nfs/dbraw/zinc/62/50/26/741625026.db2.gz DNMHXFVSMILMBE-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177182 742586657 /nfs/dbraw/zinc/58/66/57/742586657.db2.gz OPKCZFKHUOKYPM-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177182 742586661 /nfs/dbraw/zinc/58/66/61/742586661.db2.gz OPKCZFKHUOKYPM-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177182 742586663 /nfs/dbraw/zinc/58/66/63/742586663.db2.gz OPKCZFKHUOKYPM-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035817268 751896450 /nfs/dbraw/zinc/89/64/50/751896450.db2.gz DPVITYDSGCUJAN-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185294519 744199886 /nfs/dbraw/zinc/19/98/86/744199886.db2.gz QLHBLPIDJYQIJR-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185304012 744201257 /nfs/dbraw/zinc/20/12/57/744201257.db2.gz AJEVLADQGKUMSR-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861171 744247916 /nfs/dbraw/zinc/24/79/16/744247916.db2.gz SREYAOUZASOJTL-UNEWFSDZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861171 744247917 /nfs/dbraw/zinc/24/79/17/744247917.db2.gz SREYAOUZASOJTL-UNEWFSDZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035851743 751922494 /nfs/dbraw/zinc/92/24/94/751922494.db2.gz KYWLFNNFKUJSJC-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000991998668 744519493 /nfs/dbraw/zinc/51/94/93/744519493.db2.gz YZWPASZDIHRKRO-ZIFCJYIRSA-N 2 1 315.461 1.607 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035836817 751931934 /nfs/dbraw/zinc/93/19/34/751931934.db2.gz NJROSYTXPCUXHU-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)CN3CCC(C)CC3)CCC[C@H]12 ZINC000992347377 744810644 /nfs/dbraw/zinc/81/06/44/744810644.db2.gz CNBLCAAGLQFKAI-PKOBYXMFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992347377 744810648 /nfs/dbraw/zinc/81/06/48/744810648.db2.gz CNBLCAAGLQFKAI-PKOBYXMFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992347377 744810652 /nfs/dbraw/zinc/81/06/52/744810652.db2.gz CNBLCAAGLQFKAI-PKOBYXMFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775169 745326404 /nfs/dbraw/zinc/32/64/04/745326404.db2.gz CNNLZTYNIIHECF-CVEARBPZSA-N 2 1 311.470 1.308 20 30 DDEDMP C=CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719178 745345756 /nfs/dbraw/zinc/34/57/56/745345756.db2.gz SEUDNBOGAHIMHF-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083719178 745345758 /nfs/dbraw/zinc/34/57/58/745345758.db2.gz SEUDNBOGAHIMHF-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719178 745345763 /nfs/dbraw/zinc/34/57/63/745345763.db2.gz SEUDNBOGAHIMHF-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719178 745345766 /nfs/dbraw/zinc/34/57/66/745345766.db2.gz SEUDNBOGAHIMHF-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040641459 752001146 /nfs/dbraw/zinc/00/11/46/752001146.db2.gz PUTMBNKMDRPTKK-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106244004 745451429 /nfs/dbraw/zinc/45/14/29/745451429.db2.gz BWKRMCSMHCITQA-BRWVUGGUSA-N 2 1 305.466 1.282 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249478 745459871 /nfs/dbraw/zinc/45/98/71/745459871.db2.gz IWYRJLLPFTYIDM-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191946763 745653503 /nfs/dbraw/zinc/65/35/03/745653503.db2.gz FDDYIYOUVFRBDW-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191946763 745653505 /nfs/dbraw/zinc/65/35/05/745653505.db2.gz FDDYIYOUVFRBDW-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946763 745653510 /nfs/dbraw/zinc/65/35/10/745653510.db2.gz FDDYIYOUVFRBDW-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946763 745653511 /nfs/dbraw/zinc/65/35/11/745653511.db2.gz FDDYIYOUVFRBDW-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642759 745855609 /nfs/dbraw/zinc/85/56/09/745855609.db2.gz WXLHWMPOIQTKSG-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642759 745855617 /nfs/dbraw/zinc/85/56/17/745855617.db2.gz WXLHWMPOIQTKSG-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001196417354 746865889 /nfs/dbraw/zinc/86/58/89/746865889.db2.gz PVDMIYDTXALEQP-UHFFFAOYSA-N 2 1 321.465 1.352 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197448250 747154787 /nfs/dbraw/zinc/15/47/87/747154787.db2.gz SSRSXQQCDYIRRG-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197448250 747154791 /nfs/dbraw/zinc/15/47/91/747154791.db2.gz SSRSXQQCDYIRRG-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197688886 747237801 /nfs/dbraw/zinc/23/78/01/747237801.db2.gz BGKSHGXOQCZINB-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197688886 747237804 /nfs/dbraw/zinc/23/78/04/747237804.db2.gz BGKSHGXOQCZINB-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007494359 752173041 /nfs/dbraw/zinc/17/30/41/752173041.db2.gz XEUGUMTULZVJNW-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007494359 752173045 /nfs/dbraw/zinc/17/30/45/752173045.db2.gz XEUGUMTULZVJNW-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007494359 752173052 /nfs/dbraw/zinc/17/30/52/752173052.db2.gz XEUGUMTULZVJNW-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007494359 752173057 /nfs/dbraw/zinc/17/30/57/752173057.db2.gz XEUGUMTULZVJNW-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023395 747673419 /nfs/dbraw/zinc/67/34/19/747673419.db2.gz HQFSDAPZITYJDF-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200121946 748140581 /nfs/dbraw/zinc/14/05/81/748140581.db2.gz AGGBRAMXVFDTQF-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200508066 748262127 /nfs/dbraw/zinc/26/21/27/748262127.db2.gz VJZOVWGLUJZFGE-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCO1 ZINC001200864933 748364498 /nfs/dbraw/zinc/36/44/98/748364498.db2.gz GTYSFDDYJFMGKK-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124119 748468910 /nfs/dbraw/zinc/46/89/10/748468910.db2.gz VDNKUJWLPIBDTA-HNNXBMFYSA-N 2 1 319.474 1.979 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124119 748468912 /nfs/dbraw/zinc/46/89/12/748468912.db2.gz VDNKUJWLPIBDTA-HNNXBMFYSA-N 2 1 319.474 1.979 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201420406 748509166 /nfs/dbraw/zinc/50/91/66/748509166.db2.gz JXFTWKWWDKLHSD-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033146127 748564137 /nfs/dbraw/zinc/56/41/37/748564137.db2.gz NRUMSSMRNAVRGU-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033146127 748564147 /nfs/dbraw/zinc/56/41/47/748564147.db2.gz NRUMSSMRNAVRGU-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004598112 748577369 /nfs/dbraw/zinc/57/73/69/748577369.db2.gz UEUQUVFNPYQEEN-FUHWJXTLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004598112 748577373 /nfs/dbraw/zinc/57/73/73/748577373.db2.gz UEUQUVFNPYQEEN-FUHWJXTLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004598112 748577374 /nfs/dbraw/zinc/57/73/74/748577374.db2.gz UEUQUVFNPYQEEN-FUHWJXTLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201931723 748630059 /nfs/dbraw/zinc/63/00/59/748630059.db2.gz OIEYIJBVMBMOOO-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001032119185 748670820 /nfs/dbraw/zinc/67/08/20/748670820.db2.gz IMCWRNPVYAKVFZ-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032119185 748670823 /nfs/dbraw/zinc/67/08/23/748670823.db2.gz IMCWRNPVYAKVFZ-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033211301 748941989 /nfs/dbraw/zinc/94/19/89/748941989.db2.gz JNLLFARHCBAPFG-HUUCEWRRSA-N 2 1 314.433 1.379 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033211301 748941993 /nfs/dbraw/zinc/94/19/93/748941993.db2.gz JNLLFARHCBAPFG-HUUCEWRRSA-N 2 1 314.433 1.379 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033211301 748941999 /nfs/dbraw/zinc/94/19/99/748941999.db2.gz JNLLFARHCBAPFG-HUUCEWRRSA-N 2 1 314.433 1.379 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001114401911 749166810 /nfs/dbraw/zinc/16/68/10/749166810.db2.gz AKIROUDLQIZWMM-WNRNVDISSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001114401911 749166811 /nfs/dbraw/zinc/16/68/11/749166811.db2.gz AKIROUDLQIZWMM-WNRNVDISSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001114401911 749166812 /nfs/dbraw/zinc/16/68/12/749166812.db2.gz AKIROUDLQIZWMM-WNRNVDISSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001114410130 749175605 /nfs/dbraw/zinc/17/56/05/749175605.db2.gz UCBWGSPYOPSBBC-DLTWYDFYSA-N 2 1 314.433 1.773 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001114410130 749175607 /nfs/dbraw/zinc/17/56/07/749175607.db2.gz UCBWGSPYOPSBBC-DLTWYDFYSA-N 2 1 314.433 1.773 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039321675 761934185 /nfs/dbraw/zinc/93/41/85/761934185.db2.gz LOYGTIQHSDONDF-MQVJKMGUSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344048 761959541 /nfs/dbraw/zinc/95/95/41/761959541.db2.gz HHQQXXLLCKLDTD-QGZVFWFLSA-N 2 1 321.465 1.256 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039373082 761973615 /nfs/dbraw/zinc/97/36/15/761973615.db2.gz CYONTWKIZWIMGR-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373082 761973620 /nfs/dbraw/zinc/97/36/20/761973620.db2.gz CYONTWKIZWIMGR-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373082 761973625 /nfs/dbraw/zinc/97/36/25/761973625.db2.gz CYONTWKIZWIMGR-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996642595 749830121 /nfs/dbraw/zinc/83/01/21/749830121.db2.gz HVITWIWANPUEAS-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996642595 749830126 /nfs/dbraw/zinc/83/01/26/749830126.db2.gz HVITWIWANPUEAS-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005392125 749961202 /nfs/dbraw/zinc/96/12/02/749961202.db2.gz WVVNNTADOXSZHX-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033985616 750212934 /nfs/dbraw/zinc/21/29/34/750212934.db2.gz DQQNPNLNIXJQGR-INIZCTEOSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003325 750264864 /nfs/dbraw/zinc/26/48/64/750264864.db2.gz ADUFVJGFBLYKIG-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005502433 750360500 /nfs/dbraw/zinc/36/05/00/750360500.db2.gz FJYWKLWXROWJQM-HNNXBMFYSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812228 750469462 /nfs/dbraw/zinc/46/94/62/750469462.db2.gz HCEJIOKDBAPITQ-QZWWFDLISA-N 2 1 301.434 1.216 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812228 750469465 /nfs/dbraw/zinc/46/94/65/750469465.db2.gz HCEJIOKDBAPITQ-QZWWFDLISA-N 2 1 301.434 1.216 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089901798 750524527 /nfs/dbraw/zinc/52/45/27/750524527.db2.gz BAGRLPGCMCWYBJ-YVSFHVDLSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001034684777 750701170 /nfs/dbraw/zinc/70/11/70/750701170.db2.gz REXAHWHPFDWQSO-BRWVUGGUSA-N 2 1 305.466 1.757 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2nccn2C1 ZINC001032484875 750998493 /nfs/dbraw/zinc/99/84/93/750998493.db2.gz QLEOXBASGDFSHV-JYJNAYRXSA-N 2 1 314.433 1.697 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000683368 762087351 /nfs/dbraw/zinc/08/73/51/762087351.db2.gz QOTFBFIYFUDFCO-SJORKVTESA-N 2 1 303.450 1.795 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000683368 762087360 /nfs/dbraw/zinc/08/73/60/762087360.db2.gz QOTFBFIYFUDFCO-SJORKVTESA-N 2 1 303.450 1.795 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000683368 762087369 /nfs/dbraw/zinc/08/73/69/762087369.db2.gz QOTFBFIYFUDFCO-SJORKVTESA-N 2 1 303.450 1.795 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997531139 751069583 /nfs/dbraw/zinc/06/95/83/751069583.db2.gz NJOGFKJSPAMFGU-HOCLYGCPSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997531139 751069589 /nfs/dbraw/zinc/06/95/89/751069589.db2.gz NJOGFKJSPAMFGU-HOCLYGCPSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095912011 751253705 /nfs/dbraw/zinc/25/37/05/751253705.db2.gz DURBWXYZRNUYOA-LTIDMASMSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001095912011 751253708 /nfs/dbraw/zinc/25/37/08/751253708.db2.gz DURBWXYZRNUYOA-LTIDMASMSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095912011 751253712 /nfs/dbraw/zinc/25/37/12/751253712.db2.gz DURBWXYZRNUYOA-LTIDMASMSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095912011 751253714 /nfs/dbraw/zinc/25/37/14/751253714.db2.gz DURBWXYZRNUYOA-LTIDMASMSA-N 2 1 321.465 1.393 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999389720 752883870 /nfs/dbraw/zinc/88/38/70/752883870.db2.gz BDFICCRUHWFOSW-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999389720 752883873 /nfs/dbraw/zinc/88/38/73/752883873.db2.gz BDFICCRUHWFOSW-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005870170 753284149 /nfs/dbraw/zinc/28/41/49/753284149.db2.gz RVHHYTVZYNHXHW-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005870170 753284156 /nfs/dbraw/zinc/28/41/56/753284156.db2.gz RVHHYTVZYNHXHW-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006117718 753610979 /nfs/dbraw/zinc/61/09/79/753610979.db2.gz ZKIJVUSFEHYNOG-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000951140 762403525 /nfs/dbraw/zinc/40/35/25/762403525.db2.gz TVUDBWPNDOYCLL-UHFFFAOYSA-N 2 1 308.385 1.720 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079843817 755605779 /nfs/dbraw/zinc/60/57/79/755605779.db2.gz KSGWOGZCPUUBDT-OIISXLGYSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079843817 755605784 /nfs/dbraw/zinc/60/57/84/755605784.db2.gz KSGWOGZCPUUBDT-OIISXLGYSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079843817 755605788 /nfs/dbraw/zinc/60/57/88/755605788.db2.gz KSGWOGZCPUUBDT-OIISXLGYSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C)CC1 ZINC001080998138 756181153 /nfs/dbraw/zinc/18/11/53/756181153.db2.gz UNLAORREBJLWFS-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619939 756418456 /nfs/dbraw/zinc/41/84/56/756418456.db2.gz FYMCQQMGANTEAW-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619939 756418459 /nfs/dbraw/zinc/41/84/59/756418459.db2.gz FYMCQQMGANTEAW-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001083106091 757139715 /nfs/dbraw/zinc/13/97/15/757139715.db2.gz JQYZKSTZHPAFLV-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106091 757139717 /nfs/dbraw/zinc/13/97/17/757139717.db2.gz JQYZKSTZHPAFLV-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001083106091 757139723 /nfs/dbraw/zinc/13/97/23/757139723.db2.gz JQYZKSTZHPAFLV-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097404893 757147870 /nfs/dbraw/zinc/14/78/70/757147870.db2.gz DVKUDLQXPUJOIU-WCXIOVBPSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097404893 757147874 /nfs/dbraw/zinc/14/78/74/757147874.db2.gz DVKUDLQXPUJOIU-WCXIOVBPSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097404893 757147883 /nfs/dbraw/zinc/14/78/83/757147883.db2.gz DVKUDLQXPUJOIU-WCXIOVBPSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097404893 757147889 /nfs/dbraw/zinc/14/78/89/757147889.db2.gz DVKUDLQXPUJOIU-WCXIOVBPSA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040400365 762525667 /nfs/dbraw/zinc/52/56/67/762525667.db2.gz TVBVPUVVUHLDED-FUHWJXTLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016861674 757416201 /nfs/dbraw/zinc/41/62/01/757416201.db2.gz PAICJWDYVPBEBT-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040492486 762560115 /nfs/dbraw/zinc/56/01/15/762560115.db2.gz BPYLIQCHHRZNRC-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694697 757782973 /nfs/dbraw/zinc/78/29/73/757782973.db2.gz PIRFRSJGERWNJB-HZPDHXFCSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694697 757782978 /nfs/dbraw/zinc/78/29/78/757782978.db2.gz PIRFRSJGERWNJB-HZPDHXFCSA-N 2 1 314.433 1.563 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956548 758008443 /nfs/dbraw/zinc/00/84/43/758008443.db2.gz USZUVJLRRAIJER-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956548 758008453 /nfs/dbraw/zinc/00/84/53/758008453.db2.gz USZUVJLRRAIJER-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956548 758008464 /nfs/dbraw/zinc/00/84/64/758008464.db2.gz USZUVJLRRAIJER-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108505 758157485 /nfs/dbraw/zinc/15/74/85/758157485.db2.gz VJOXYDHRXIOVKK-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075299 758202933 /nfs/dbraw/zinc/20/29/33/758202933.db2.gz ZIHXMLDDTKVNGM-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075299 758202944 /nfs/dbraw/zinc/20/29/44/758202944.db2.gz ZIHXMLDDTKVNGM-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085075299 758202952 /nfs/dbraw/zinc/20/29/52/758202952.db2.gz ZIHXMLDDTKVNGM-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001017884604 758339258 /nfs/dbraw/zinc/33/92/58/758339258.db2.gz DXYXDQVYOBCRNF-CALCHBBNSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCC)C2)C1 ZINC001054146458 759223993 /nfs/dbraw/zinc/22/39/93/759223993.db2.gz DOOYOGYFVBNDMT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001054146458 759223997 /nfs/dbraw/zinc/22/39/97/759223997.db2.gz DOOYOGYFVBNDMT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC)C2)C1 ZINC001054146458 759224003 /nfs/dbraw/zinc/22/40/03/759224003.db2.gz DOOYOGYFVBNDMT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCC)C2)C1 ZINC001054146458 759224007 /nfs/dbraw/zinc/22/40/07/759224007.db2.gz DOOYOGYFVBNDMT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199236 759285542 /nfs/dbraw/zinc/28/55/42/759285542.db2.gz QOCCKOCYVZSPKU-WMZOPIPTSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054244949 759337405 /nfs/dbraw/zinc/33/74/05/759337405.db2.gz LXKDMJRGWRYDNU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244949 759337414 /nfs/dbraw/zinc/33/74/14/759337414.db2.gz LXKDMJRGWRYDNU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244949 759337423 /nfs/dbraw/zinc/33/74/23/759337423.db2.gz LXKDMJRGWRYDNU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639104 759911816 /nfs/dbraw/zinc/91/18/16/759911816.db2.gz IADMHNDZOSCPFD-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639104 759911823 /nfs/dbraw/zinc/91/18/23/759911823.db2.gz IADMHNDZOSCPFD-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001019778182 760242711 /nfs/dbraw/zinc/24/27/11/760242711.db2.gz SHHIXYOMKAMHNJ-KRWDZBQOSA-N 2 1 323.400 1.454 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982497 760655261 /nfs/dbraw/zinc/65/52/61/760655261.db2.gz MAMCJJJYGZIELR-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982497 760655267 /nfs/dbraw/zinc/65/52/67/760655267.db2.gz MAMCJJJYGZIELR-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982497 760655271 /nfs/dbraw/zinc/65/52/71/760655271.db2.gz MAMCJJJYGZIELR-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982497 760655275 /nfs/dbraw/zinc/65/52/75/760655275.db2.gz MAMCJJJYGZIELR-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC=C)CC1 ZINC001085986372 760656515 /nfs/dbraw/zinc/65/65/15/760656515.db2.gz BNVIGNIOPHJZFO-QGZVFWFLSA-N 2 1 303.450 1.440 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040848561 762704362 /nfs/dbraw/zinc/70/43/62/762704362.db2.gz KWIKXDPIRYLFDG-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041274768 762925959 /nfs/dbraw/zinc/92/59/59/762925959.db2.gz BLCYXFLEJXKMKD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274768 762925970 /nfs/dbraw/zinc/92/59/70/762925970.db2.gz BLCYXFLEJXKMKD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274768 762925978 /nfs/dbraw/zinc/92/59/78/762925978.db2.gz BLCYXFLEJXKMKD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285715 762934243 /nfs/dbraw/zinc/93/42/43/762934243.db2.gz HEVPNYCDHCRYDU-HKUYNNGSSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001001521241 762934416 /nfs/dbraw/zinc/93/44/16/762934416.db2.gz ISDHCDHTHPSJHU-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364079 762940298 /nfs/dbraw/zinc/94/02/98/762940298.db2.gz ORBMBTNOEDYALD-MRXNPFEDSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050061519 763076190 /nfs/dbraw/zinc/07/61/90/763076190.db2.gz BGEIATFGVJJBDB-RCCFBDPRSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050061519 763076195 /nfs/dbraw/zinc/07/61/95/763076195.db2.gz BGEIATFGVJJBDB-RCCFBDPRSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050061519 763076198 /nfs/dbraw/zinc/07/61/98/763076198.db2.gz BGEIATFGVJJBDB-RCCFBDPRSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001050061517 763076363 /nfs/dbraw/zinc/07/63/63/763076363.db2.gz BGEIATFGVJJBDB-OKZBNKHCSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050061517 763076365 /nfs/dbraw/zinc/07/63/65/763076365.db2.gz BGEIATFGVJJBDB-OKZBNKHCSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001050061517 763076369 /nfs/dbraw/zinc/07/63/69/763076369.db2.gz BGEIATFGVJJBDB-OKZBNKHCSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041599585 763169227 /nfs/dbraw/zinc/16/92/27/763169227.db2.gz HYTUWPUFHWGVMN-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041599585 763169228 /nfs/dbraw/zinc/16/92/28/763169228.db2.gz HYTUWPUFHWGVMN-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041599585 763169232 /nfs/dbraw/zinc/16/92/32/763169232.db2.gz HYTUWPUFHWGVMN-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133385 763689833 /nfs/dbraw/zinc/68/98/33/763689833.db2.gz JSOOPOCPLCITKU-YOEHRIQHSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563142 763757580 /nfs/dbraw/zinc/75/75/80/763757580.db2.gz IKBGWSOKLFIQFC-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042217195 763781209 /nfs/dbraw/zinc/78/12/09/763781209.db2.gz VENVHTDCXQCBCD-NVXWUHKLSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519936 768165606 /nfs/dbraw/zinc/16/56/06/768165606.db2.gz OKPFOGFKRUXSRT-PQUAAJSLSA-N 2 1 321.465 1.302 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521748 768166189 /nfs/dbraw/zinc/16/61/89/768166189.db2.gz FOMOGLYMALZXRJ-PQUAAJSLSA-N 2 1 323.481 1.526 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131692519 768274661 /nfs/dbraw/zinc/27/46/61/768274661.db2.gz HWXJVGRKGBGNSK-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692519 768274664 /nfs/dbraw/zinc/27/46/64/768274664.db2.gz HWXJVGRKGBGNSK-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692519 768274668 /nfs/dbraw/zinc/27/46/68/768274668.db2.gz HWXJVGRKGBGNSK-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052387097 765781044 /nfs/dbraw/zinc/78/10/44/765781044.db2.gz XSIMDFWDXRLDSD-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC001044791492 765816045 /nfs/dbraw/zinc/81/60/45/765816045.db2.gz HFLIYUBTVHRQCA-GOEBONIOSA-N 2 1 323.400 1.483 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001170211049 766169980 /nfs/dbraw/zinc/16/99/80/766169980.db2.gz HGYZXBDMKQAZEN-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045437504 766305680 /nfs/dbraw/zinc/30/56/80/766305680.db2.gz APJXTMXNIMVGAY-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045476116 766333101 /nfs/dbraw/zinc/33/31/01/766333101.db2.gz ZWNFGEKEJMWQMP-IAGOWNOFSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984725 766760274 /nfs/dbraw/zinc/76/02/74/766760274.db2.gz HOXKQZQOLVLRAT-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984725 766760277 /nfs/dbraw/zinc/76/02/77/766760277.db2.gz HOXKQZQOLVLRAT-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046323549 767420806 /nfs/dbraw/zinc/42/08/06/767420806.db2.gz OCDYWRCNMZLUNK-FUHWJXTLSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046566810 767694324 /nfs/dbraw/zinc/69/43/24/767694324.db2.gz CWJZBZIHRVBWJH-DOTOQJQBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046566810 767694326 /nfs/dbraw/zinc/69/43/26/767694326.db2.gz CWJZBZIHRVBWJH-DOTOQJQBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566810 767694330 /nfs/dbraw/zinc/69/43/30/767694330.db2.gz CWJZBZIHRVBWJH-DOTOQJQBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566810 767694333 /nfs/dbraw/zinc/69/43/33/767694333.db2.gz CWJZBZIHRVBWJH-DOTOQJQBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613739 767739736 /nfs/dbraw/zinc/73/97/36/767739736.db2.gz GBFODICXLJAFKW-QAPCUYQASA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613739 767739739 /nfs/dbraw/zinc/73/97/39/767739739.db2.gz GBFODICXLJAFKW-QAPCUYQASA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001098478122 768607792 /nfs/dbraw/zinc/60/77/92/768607792.db2.gz WJRURTMECXHSHB-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098478122 768607799 /nfs/dbraw/zinc/60/77/99/768607799.db2.gz WJRURTMECXHSHB-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098478122 768607805 /nfs/dbraw/zinc/60/78/05/768607805.db2.gz WJRURTMECXHSHB-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409828 768822486 /nfs/dbraw/zinc/82/24/86/768822486.db2.gz FRTLBDQTQDSAPD-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409828 768822495 /nfs/dbraw/zinc/82/24/95/768822495.db2.gz FRTLBDQTQDSAPD-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409828 768822506 /nfs/dbraw/zinc/82/25/06/768822506.db2.gz FRTLBDQTQDSAPD-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857657 769997362 /nfs/dbraw/zinc/99/73/62/769997362.db2.gz IYLXMMOWVIEMPQ-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857657 769997369 /nfs/dbraw/zinc/99/73/69/769997369.db2.gz IYLXMMOWVIEMPQ-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857657 769997371 /nfs/dbraw/zinc/99/73/71/769997371.db2.gz IYLXMMOWVIEMPQ-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821596 770125588 /nfs/dbraw/zinc/12/55/88/770125588.db2.gz QPEXDLLPTYMNQV-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821596 770125592 /nfs/dbraw/zinc/12/55/92/770125592.db2.gz QPEXDLLPTYMNQV-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821596 770125597 /nfs/dbraw/zinc/12/55/97/770125597.db2.gz QPEXDLLPTYMNQV-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959169 770167519 /nfs/dbraw/zinc/16/75/19/770167519.db2.gz DWRNAJLFQHPUFE-KSZLIROESA-N 2 1 317.477 1.827 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071869568 770202217 /nfs/dbraw/zinc/20/22/17/770202217.db2.gz SJZGGTOWEGXMGD-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071869568 770202221 /nfs/dbraw/zinc/20/22/21/770202221.db2.gz SJZGGTOWEGXMGD-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058005 770305158 /nfs/dbraw/zinc/30/51/58/770305158.db2.gz UTQKVVLAAXJQKB-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058005 770305168 /nfs/dbraw/zinc/30/51/68/770305168.db2.gz UTQKVVLAAXJQKB-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049058005 770305181 /nfs/dbraw/zinc/30/51/81/770305181.db2.gz UTQKVVLAAXJQKB-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086717246 770646081 /nfs/dbraw/zinc/64/60/81/770646081.db2.gz NTYADYPXRDZWRM-RRFJBIMHSA-N 2 1 300.406 1.268 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049515413 770959138 /nfs/dbraw/zinc/95/91/38/770959138.db2.gz OVVKZHIRWCNOGX-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049515413 770959142 /nfs/dbraw/zinc/95/91/42/770959142.db2.gz OVVKZHIRWCNOGX-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049515413 770959145 /nfs/dbraw/zinc/95/91/45/770959145.db2.gz OVVKZHIRWCNOGX-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761445 771140468 /nfs/dbraw/zinc/14/04/68/771140468.db2.gz KFJPNFNYSZISIS-HZPDHXFCSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761445 771140469 /nfs/dbraw/zinc/14/04/69/771140469.db2.gz KFJPNFNYSZISIS-HZPDHXFCSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767170 771144600 /nfs/dbraw/zinc/14/46/00/771144600.db2.gz OJHVILFFIIPHGT-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768746 771146142 /nfs/dbraw/zinc/14/61/42/771146142.db2.gz ZNCUWOUGGIBHJA-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049839683 771198513 /nfs/dbraw/zinc/19/85/13/771198513.db2.gz JQSDACPEMICTTD-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049839683 771198517 /nfs/dbraw/zinc/19/85/17/771198517.db2.gz JQSDACPEMICTTD-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049839683 771198520 /nfs/dbraw/zinc/19/85/20/771198520.db2.gz JQSDACPEMICTTD-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049841342 771199591 /nfs/dbraw/zinc/19/95/91/771199591.db2.gz RSQRYCAXKVNFBX-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049841342 771199595 /nfs/dbraw/zinc/19/95/95/771199595.db2.gz RSQRYCAXKVNFBX-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049841342 771199598 /nfs/dbraw/zinc/19/95/98/771199598.db2.gz RSQRYCAXKVNFBX-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049902484 771246544 /nfs/dbraw/zinc/24/65/44/771246544.db2.gz ASRNKAJXFAVHTP-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049902484 771246545 /nfs/dbraw/zinc/24/65/45/771246545.db2.gz ASRNKAJXFAVHTP-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902484 771246547 /nfs/dbraw/zinc/24/65/47/771246547.db2.gz ASRNKAJXFAVHTP-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902484 771246548 /nfs/dbraw/zinc/24/65/48/771246548.db2.gz ASRNKAJXFAVHTP-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCF)CC1 ZINC001049918000 771258832 /nfs/dbraw/zinc/25/88/32/771258832.db2.gz JMFYRKYICORGFS-IRXDYDNUSA-N 2 1 321.440 1.366 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086784993 771726296 /nfs/dbraw/zinc/72/62/96/771726296.db2.gz FGMIOMQYYYXTFC-BBWFWOEESA-N 2 1 323.481 1.546 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583535 773174983 /nfs/dbraw/zinc/17/49/83/773174983.db2.gz UEIXJSHIXDLQLF-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583535 773174984 /nfs/dbraw/zinc/17/49/84/773174984.db2.gz UEIXJSHIXDLQLF-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583535 773174985 /nfs/dbraw/zinc/17/49/85/773174985.db2.gz UEIXJSHIXDLQLF-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147788129 773245776 /nfs/dbraw/zinc/24/57/76/773245776.db2.gz WPDSFDKTGGDENI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147788129 773245781 /nfs/dbraw/zinc/24/57/81/773245781.db2.gz WPDSFDKTGGDENI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147788129 773245786 /nfs/dbraw/zinc/24/57/86/773245786.db2.gz WPDSFDKTGGDENI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091716828 773460105 /nfs/dbraw/zinc/46/01/05/773460105.db2.gz WPOGQQLRYJWPNG-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716828 773460106 /nfs/dbraw/zinc/46/01/06/773460106.db2.gz WPOGQQLRYJWPNG-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716828 773460108 /nfs/dbraw/zinc/46/01/08/773460108.db2.gz WPOGQQLRYJWPNG-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001073841597 773461489 /nfs/dbraw/zinc/46/14/89/773461489.db2.gz OEVSDDYVPGHISA-KRWDZBQOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092658499 774208779 /nfs/dbraw/zinc/20/87/79/774208779.db2.gz XJRHWJLURYWWEW-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658499 774208783 /nfs/dbraw/zinc/20/87/83/774208783.db2.gz XJRHWJLURYWWEW-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658499 774208787 /nfs/dbraw/zinc/20/87/87/774208787.db2.gz XJRHWJLURYWWEW-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036735411 774429002 /nfs/dbraw/zinc/42/90/02/774429002.db2.gz JIZIUQOIQKNXJN-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759027 774504348 /nfs/dbraw/zinc/50/43/48/774504348.db2.gz DKDZXWJVULQVNG-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036760146 774507839 /nfs/dbraw/zinc/50/78/39/774507839.db2.gz XNXZWDHWCHKGCG-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762881 774516131 /nfs/dbraw/zinc/51/61/31/774516131.db2.gz QXRXWGNYOSLYBE-SJLPKXTDSA-N 2 1 322.412 1.894 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001098446910 774584388 /nfs/dbraw/zinc/58/43/88/774584388.db2.gz QVRKOKBVYCADAW-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001098446910 774584392 /nfs/dbraw/zinc/58/43/92/774584392.db2.gz QVRKOKBVYCADAW-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098446910 774584397 /nfs/dbraw/zinc/58/43/97/774584397.db2.gz QVRKOKBVYCADAW-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098446910 774584402 /nfs/dbraw/zinc/58/44/02/774584402.db2.gz QVRKOKBVYCADAW-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001098990774 774759245 /nfs/dbraw/zinc/75/92/45/774759245.db2.gz FCUVALSZJFXBJX-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098990774 774759248 /nfs/dbraw/zinc/75/92/48/774759248.db2.gz FCUVALSZJFXBJX-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001098990774 774759253 /nfs/dbraw/zinc/75/92/53/774759253.db2.gz FCUVALSZJFXBJX-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833600 774804644 /nfs/dbraw/zinc/80/46/44/774804644.db2.gz VZRSIPPVNWIGGL-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257586 774921004 /nfs/dbraw/zinc/92/10/04/774921004.db2.gz ICQGUDCMFVGMCC-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036855076 774943817 /nfs/dbraw/zinc/94/38/17/774943817.db2.gz VNBJEGWQVCBTTB-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859038 774945767 /nfs/dbraw/zinc/94/57/67/774945767.db2.gz JMFMADLQAHXMGX-ZWKOTPCHSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001099942096 775451183 /nfs/dbraw/zinc/45/11/83/775451183.db2.gz MDRSRWUAGTWIIF-HOTGVXAUSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896537 776009620 /nfs/dbraw/zinc/00/96/20/776009620.db2.gz QAOUESDTRGXZGJ-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896537 776009629 /nfs/dbraw/zinc/00/96/29/776009629.db2.gz QAOUESDTRGXZGJ-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094578375 776053874 /nfs/dbraw/zinc/05/38/74/776053874.db2.gz UJRZLQPILVHSCG-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094578375 776053882 /nfs/dbraw/zinc/05/38/82/776053882.db2.gz UJRZLQPILVHSCG-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094578375 776053888 /nfs/dbraw/zinc/05/38/88/776053888.db2.gz UJRZLQPILVHSCG-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100459996 776185203 /nfs/dbraw/zinc/18/52/03/776185203.db2.gz KCLSVDFRYOABHR-UHFFFAOYSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001101008298 776818196 /nfs/dbraw/zinc/81/81/96/776818196.db2.gz BUSUJIXNAWVGNQ-UYSNPLJNSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001101008298 776818207 /nfs/dbraw/zinc/81/82/07/776818207.db2.gz BUSUJIXNAWVGNQ-UYSNPLJNSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461759 777154755 /nfs/dbraw/zinc/15/47/55/777154755.db2.gz SCONAIIWSDTZJT-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291132 777378492 /nfs/dbraw/zinc/37/84/92/777378492.db2.gz JICIVVBBUFEUII-JKSUJKDBSA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177089961 778442677 /nfs/dbraw/zinc/44/26/77/778442677.db2.gz XNSQOMNAQJDEAO-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177089961 778442680 /nfs/dbraw/zinc/44/26/80/778442680.db2.gz XNSQOMNAQJDEAO-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001177416084 778589178 /nfs/dbraw/zinc/58/91/78/778589178.db2.gz UBOLMOVEWXBZSJ-AEFFLSMTSA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103088089 778630390 /nfs/dbraw/zinc/63/03/90/778630390.db2.gz VRNMXBNNXLFVTD-OIISXLGYSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433568 778865714 /nfs/dbraw/zinc/86/57/14/778865714.db2.gz HPSSJNFDCQGRTE-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103433568 778865723 /nfs/dbraw/zinc/86/57/23/778865723.db2.gz HPSSJNFDCQGRTE-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103433568 778865733 /nfs/dbraw/zinc/86/57/33/778865733.db2.gz HPSSJNFDCQGRTE-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179539396 779412679 /nfs/dbraw/zinc/41/26/79/779412679.db2.gz WXOSLVXKKSOPSD-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549949 779415117 /nfs/dbraw/zinc/41/51/17/779415117.db2.gz NQIRZQUGZIRWBG-HOTGVXAUSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111986695 779590420 /nfs/dbraw/zinc/59/04/20/779590420.db2.gz VLRXBOSQFBRBMN-RYRKJORJSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111986695 779590425 /nfs/dbraw/zinc/59/04/25/779590425.db2.gz VLRXBOSQFBRBMN-RYRKJORJSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291461 779694091 /nfs/dbraw/zinc/69/40/91/779694091.db2.gz LKSOXQOAPZTVRL-JZXOWHBKSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291461 779694096 /nfs/dbraw/zinc/69/40/96/779694096.db2.gz LKSOXQOAPZTVRL-JZXOWHBKSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115305641 780024055 /nfs/dbraw/zinc/02/40/55/780024055.db2.gz AJGSMNPIBQHIBK-VSZNYVQBSA-N 2 1 313.445 1.912 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115305641 780024064 /nfs/dbraw/zinc/02/40/64/780024064.db2.gz AJGSMNPIBQHIBK-VSZNYVQBSA-N 2 1 313.445 1.912 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730204 780380799 /nfs/dbraw/zinc/38/07/99/780380799.db2.gz FMPFMUXPEMQQJO-HZPDHXFCSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250123 837669308 /nfs/dbraw/zinc/66/93/08/837669308.db2.gz FQBQHGMKEZYDEQ-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250123 837669312 /nfs/dbraw/zinc/66/93/12/837669312.db2.gz FQBQHGMKEZYDEQ-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001266600003 836518592 /nfs/dbraw/zinc/51/85/92/836518592.db2.gz FRPWUNOLRHGJNG-UHFFFAOYSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266898237 837021333 /nfs/dbraw/zinc/02/13/33/837021333.db2.gz UBWYNPYHBIMITF-DLBZAZTESA-N 2 1 307.482 1.958 20 30 DDEDMP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267415895 838014713 /nfs/dbraw/zinc/01/47/13/838014713.db2.gz XMHJFJVTPQDJJF-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267963464 839280833 /nfs/dbraw/zinc/28/08/33/839280833.db2.gz OZARUJORWNIONG-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001268193239 839819545 /nfs/dbraw/zinc/81/95/45/839819545.db2.gz VAOJHUWOBFTTFM-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268659174 840642279 /nfs/dbraw/zinc/64/22/79/840642279.db2.gz UXNRXLURKFUSOV-HIFRSBDPSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001326291592 861259898 /nfs/dbraw/zinc/25/98/98/861259898.db2.gz WJUVWWOANNFHSL-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001270137561 842328069 /nfs/dbraw/zinc/32/80/69/842328069.db2.gz DLCRVMGVIDTIOH-MRXNPFEDSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001270192807 842371170 /nfs/dbraw/zinc/37/11/70/842371170.db2.gz DBPRWQIEQGZVJR-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001326387748 861324585 /nfs/dbraw/zinc/32/45/85/861324585.db2.gz RPTCSXPEVIKCDF-KRWDZBQOSA-N 2 1 323.481 1.503 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001271008533 843131157 /nfs/dbraw/zinc/13/11/57/843131157.db2.gz ZOIQGLFHFYHCKJ-SFHVURJKSA-N 2 1 307.482 1.960 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001271167352 843362565 /nfs/dbraw/zinc/36/25/65/843362565.db2.gz LZPSKWIXXXZRCY-PBHICJAKSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001271167352 843362578 /nfs/dbraw/zinc/36/25/78/843362578.db2.gz LZPSKWIXXXZRCY-PBHICJAKSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001326566440 861449636 /nfs/dbraw/zinc/44/96/36/861449636.db2.gz LHZBYIOAJGXPML-ULQDDVLXSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001326566440 861449643 /nfs/dbraw/zinc/44/96/43/861449643.db2.gz LHZBYIOAJGXPML-ULQDDVLXSA-N 2 1 323.481 1.548 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001271743542 843832636 /nfs/dbraw/zinc/83/26/36/843832636.db2.gz DVMLGHUKDAQMSR-XMTFNYHQSA-N 2 1 319.493 1.955 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001326890333 861692416 /nfs/dbraw/zinc/69/24/16/861692416.db2.gz XCHQMCZBNNQWBY-HNNXBMFYSA-N 2 1 316.449 1.959 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272888248 847591811 /nfs/dbraw/zinc/59/18/11/847591811.db2.gz SQPITDLELUQUCT-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001273004218 847768769 /nfs/dbraw/zinc/76/87/69/847768769.db2.gz LRGTUKPCAPFNRD-QGZVFWFLSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034271762 848217045 /nfs/dbraw/zinc/21/70/45/848217045.db2.gz JFJGMLHQTWLKOJ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034271762 848217052 /nfs/dbraw/zinc/21/70/52/848217052.db2.gz JFJGMLHQTWLKOJ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271762 848217058 /nfs/dbraw/zinc/21/70/58/848217058.db2.gz JFJGMLHQTWLKOJ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271762 848217067 /nfs/dbraw/zinc/21/70/67/848217067.db2.gz JFJGMLHQTWLKOJ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034274888 848222313 /nfs/dbraw/zinc/22/23/13/848222313.db2.gz VHQZAOFIVWVFOV-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034274888 848222327 /nfs/dbraw/zinc/22/23/27/848222327.db2.gz VHQZAOFIVWVFOV-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274888 848222335 /nfs/dbraw/zinc/22/23/35/848222335.db2.gz VHQZAOFIVWVFOV-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274888 848222343 /nfs/dbraw/zinc/22/23/43/848222343.db2.gz VHQZAOFIVWVFOV-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCN1C[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273143615 848556297 /nfs/dbraw/zinc/55/62/97/848556297.db2.gz JFDOCTQWWZRFJM-SFHVURJKSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149936732 861982946 /nfs/dbraw/zinc/98/29/46/861982946.db2.gz MPXMZFHTWIPQCG-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936732 861982951 /nfs/dbraw/zinc/98/29/51/861982951.db2.gz MPXMZFHTWIPQCG-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936732 861982958 /nfs/dbraw/zinc/98/29/58/861982958.db2.gz MPXMZFHTWIPQCG-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150394825 862221513 /nfs/dbraw/zinc/22/15/13/862221513.db2.gz MLVUIKFSCYLLQC-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CC)[NH+](C)C)CO2 ZINC001273724909 851276261 /nfs/dbraw/zinc/27/62/61/851276261.db2.gz RQLCMUCAUNEVCD-GJZGRUSLSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCOC)CC1 ZINC001273763365 851314805 /nfs/dbraw/zinc/31/48/05/851314805.db2.gz UGHIYJSJYIQOJN-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCOC)CC1 ZINC001273763365 851314818 /nfs/dbraw/zinc/31/48/18/851314818.db2.gz UGHIYJSJYIQOJN-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCN1CCC2(CC[NH+](C[C@H](O)C[NH+](CC)CC)CC2)C1=O ZINC001274654972 852488903 /nfs/dbraw/zinc/48/89/03/852488903.db2.gz IQNPNUNXBCXICE-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP COCC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274981394 852727015 /nfs/dbraw/zinc/72/70/15/852727015.db2.gz DZCFICBWEQIZMC-UHFFFAOYSA-N 2 1 302.422 1.441 20 30 DDEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001151027406 862584353 /nfs/dbraw/zinc/58/43/53/862584353.db2.gz SAOCLDZDWJMMAT-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001276237899 855027018 /nfs/dbraw/zinc/02/70/18/855027018.db2.gz XLTZSPAJZHEFDX-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115461808 855197128 /nfs/dbraw/zinc/19/71/28/855197128.db2.gz DHQQSZORASFDQO-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115461808 855197132 /nfs/dbraw/zinc/19/71/32/855197132.db2.gz DHQQSZORASFDQO-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049556905 856971471 /nfs/dbraw/zinc/97/14/71/856971471.db2.gz DJHBFFOQJIOZKF-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001049556905 856971475 /nfs/dbraw/zinc/97/14/75/856971475.db2.gz DJHBFFOQJIOZKF-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001049556905 856971480 /nfs/dbraw/zinc/97/14/80/856971480.db2.gz DJHBFFOQJIOZKF-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568397 856988861 /nfs/dbraw/zinc/98/88/61/856988861.db2.gz UACKCTFGOUBXKR-IRXDYDNUSA-N 2 1 315.461 1.703 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568398 856989472 /nfs/dbraw/zinc/98/94/72/856989472.db2.gz UACKCTFGOUBXKR-SJORKVTESA-N 2 1 315.461 1.703 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595898 857034500 /nfs/dbraw/zinc/03/45/00/857034500.db2.gz UPHXPKIXAYOJQC-DLBZAZTESA-N 2 1 308.385 1.646 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC001072870500 857825336 /nfs/dbraw/zinc/82/53/36/857825336.db2.gz LFPQXCVUYLAVDU-OAHLLOKOSA-N 2 1 314.433 1.556 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001072983421 857967727 /nfs/dbraw/zinc/96/77/27/857967727.db2.gz VZRPDIBZZVMLBP-SFHVURJKSA-N 2 1 323.456 1.919 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983421 857967731 /nfs/dbraw/zinc/96/77/31/857967731.db2.gz VZRPDIBZZVMLBP-SFHVURJKSA-N 2 1 323.456 1.919 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983421 857967734 /nfs/dbraw/zinc/96/77/34/857967734.db2.gz VZRPDIBZZVMLBP-SFHVURJKSA-N 2 1 323.456 1.919 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460717 858355910 /nfs/dbraw/zinc/35/59/10/858355910.db2.gz NDVADITXASFUBF-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](F)CC)C1 ZINC001276995389 881527203 /nfs/dbraw/zinc/52/72/03/881527203.db2.gz FJDCYPQQVXEILH-FPCVCCKLSA-N 2 1 309.429 1.317 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](F)CC)C1 ZINC001276995389 881527212 /nfs/dbraw/zinc/52/72/12/881527212.db2.gz FJDCYPQQVXEILH-FPCVCCKLSA-N 2 1 309.429 1.317 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001328586777 863090954 /nfs/dbraw/zinc/09/09/54/863090954.db2.gz FHPVEPHGJZNJBJ-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP CCOC(=O)c1cc(C)nc(NC(=[NH2+])NCCCC[NH3+])c1C#N ZINC001157094506 863571491 /nfs/dbraw/zinc/57/14/91/863571491.db2.gz RXQLQNQGJKOUGP-UHFFFAOYSA-N 2 1 318.381 1.114 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157119430 863596922 /nfs/dbraw/zinc/59/69/22/863596922.db2.gz YSTRTROPGCIVBG-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001329954085 863971021 /nfs/dbraw/zinc/97/10/21/863971021.db2.gz QZKIUJYVIKVBPF-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131791 865688871 /nfs/dbraw/zinc/68/88/71/865688871.db2.gz VTEPIVHDSOURFV-QZTJIDSGSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131791 865688875 /nfs/dbraw/zinc/68/88/75/865688875.db2.gz VTEPIVHDSOURFV-QZTJIDSGSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131791 865688880 /nfs/dbraw/zinc/68/88/80/865688880.db2.gz VTEPIVHDSOURFV-QZTJIDSGSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568480 865948339 /nfs/dbraw/zinc/94/83/39/865948339.db2.gz WCBOBFMKWUQFMP-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568480 865948348 /nfs/dbraw/zinc/94/83/48/865948348.db2.gz WCBOBFMKWUQFMP-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568480 865948356 /nfs/dbraw/zinc/94/83/56/865948356.db2.gz WCBOBFMKWUQFMP-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCN(C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001332710913 866084474 /nfs/dbraw/zinc/08/44/74/866084474.db2.gz MWCOLOUPVRIFNX-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001332710913 866084489 /nfs/dbraw/zinc/08/44/89/866084489.db2.gz MWCOLOUPVRIFNX-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001332710913 866084504 /nfs/dbraw/zinc/08/45/04/866084504.db2.gz MWCOLOUPVRIFNX-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001332710913 866084520 /nfs/dbraw/zinc/08/45/20/866084520.db2.gz MWCOLOUPVRIFNX-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001332710913 866084536 /nfs/dbraw/zinc/08/45/36/866084536.db2.gz MWCOLOUPVRIFNX-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C(C)(C)C ZINC001332822905 866169249 /nfs/dbraw/zinc/16/92/49/866169249.db2.gz FOJVXORHJPMBAD-HNNXBMFYSA-N 2 1 320.437 1.494 20 30 DDEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCOC ZINC001332927408 866260625 /nfs/dbraw/zinc/26/06/25/866260625.db2.gz IHHAZOFEAHHZIK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)CCOC ZINC001332927408 866260634 /nfs/dbraw/zinc/26/06/34/866260634.db2.gz IHHAZOFEAHHZIK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)CCOC ZINC001332927408 866260655 /nfs/dbraw/zinc/26/06/55/866260655.db2.gz IHHAZOFEAHHZIK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001332993714 866320729 /nfs/dbraw/zinc/32/07/29/866320729.db2.gz ZGCUGRAOCOOEHU-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001320162359 866522668 /nfs/dbraw/zinc/52/26/68/866522668.db2.gz DMGWOPOYDXBSQJ-HOTGVXAUSA-N 2 1 307.482 1.862 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001333355180 866663168 /nfs/dbraw/zinc/66/31/68/866663168.db2.gz YVDHTKXBFXNIAK-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001333355180 866663174 /nfs/dbraw/zinc/66/31/74/866663174.db2.gz YVDHTKXBFXNIAK-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001333355180 866663186 /nfs/dbraw/zinc/66/31/86/866663186.db2.gz YVDHTKXBFXNIAK-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001324332743 867206667 /nfs/dbraw/zinc/20/66/67/867206667.db2.gz BLAVITZHQGFTMK-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171713 867315051 /nfs/dbraw/zinc/31/50/51/867315051.db2.gz VGRUMNRTLGXSDB-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872179 867887863 /nfs/dbraw/zinc/88/78/63/867887863.db2.gz JOTGHCHTWATDLQ-CTMQZQKCSA-N 2 1 321.465 1.300 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001322694306 868330351 /nfs/dbraw/zinc/33/03/51/868330351.db2.gz PCXILTKUBWAMML-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC001336785746 869140833 /nfs/dbraw/zinc/14/08/33/869140833.db2.gz TUJXUGQWGFDCNA-QGZVFWFLSA-N 2 1 302.418 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001165545160 869636318 /nfs/dbraw/zinc/63/63/18/869636318.db2.gz DUJJPYUEJQCGKO-KRWDZBQOSA-N 2 1 317.477 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC=C(C)C)CC1 ZINC001165545160 869636323 /nfs/dbraw/zinc/63/63/23/869636323.db2.gz DUJJPYUEJQCGKO-KRWDZBQOSA-N 2 1 317.477 1.926 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316992987 870088333 /nfs/dbraw/zinc/08/83/33/870088333.db2.gz WLTCKBPJALULLF-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316992987 870088344 /nfs/dbraw/zinc/08/83/44/870088344.db2.gz WLTCKBPJALULLF-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316992987 870088353 /nfs/dbraw/zinc/08/83/53/870088353.db2.gz WLTCKBPJALULLF-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316992987 870088363 /nfs/dbraw/zinc/08/83/63/870088363.db2.gz WLTCKBPJALULLF-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001317024532 870133925 /nfs/dbraw/zinc/13/39/25/870133925.db2.gz FJRBVJLMXKXPMS-WBVHZDCISA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166708400 870181229 /nfs/dbraw/zinc/18/12/29/870181229.db2.gz PUVOUYWGEHWBBK-PWSUYJOCSA-N 2 1 318.259 1.189 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814977 870272498 /nfs/dbraw/zinc/27/24/98/870272498.db2.gz WPXISEILMNNZGY-INIZCTEOSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204076173 870921728 /nfs/dbraw/zinc/92/17/28/870921728.db2.gz KIZSWPKWPXBTDB-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204076173 870921736 /nfs/dbraw/zinc/92/17/36/870921736.db2.gz KIZSWPKWPXBTDB-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001340790483 871355238 /nfs/dbraw/zinc/35/52/38/871355238.db2.gz LGZMUNXIFRFNOD-INIZCTEOSA-N 2 1 315.417 1.171 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001317684451 871405583 /nfs/dbraw/zinc/40/55/83/871405583.db2.gz XXCCVRCRCSEAIM-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCF)CC1 ZINC001205479316 871575065 /nfs/dbraw/zinc/57/50/65/871575065.db2.gz GASFVSFQQHNWFA-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCF)CC1 ZINC001205479316 871575071 /nfs/dbraw/zinc/57/50/71/871575071.db2.gz GASFVSFQQHNWFA-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](C)CC)CC1 ZINC001205479205 871575628 /nfs/dbraw/zinc/57/56/28/871575628.db2.gz DAEQWAMEDZDXMV-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](C)CC)CC1 ZINC001205479205 871575645 /nfs/dbraw/zinc/57/56/45/871575645.db2.gz DAEQWAMEDZDXMV-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316768649 871877999 /nfs/dbraw/zinc/87/79/99/871877999.db2.gz RKXDUWKBBSGPCU-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC001341889658 871880047 /nfs/dbraw/zinc/88/00/47/871880047.db2.gz BKZIDEDEHUNWKZ-UHFFFAOYSA-N 2 1 314.433 1.378 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206282525 872182978 /nfs/dbraw/zinc/18/29/78/872182978.db2.gz UVKQUNUFYRAEDI-DOTOQJQBSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001318760208 872251827 /nfs/dbraw/zinc/25/18/27/872251827.db2.gz RUEPEKKJWKIENB-MAUKXSAKSA-N 2 1 316.449 1.870 20 30 DDEDMP C#CC[NH2+]CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001343433469 872624597 /nfs/dbraw/zinc/62/45/97/872624597.db2.gz XPACLLFZGOQWSR-MNZLEMJZSA-N 2 1 313.445 1.482 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207652667 873443978 /nfs/dbraw/zinc/44/39/78/873443978.db2.gz GCUZACAMCJMXCK-OAGGEKHMSA-N 2 1 311.470 1.212 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208071265 873808581 /nfs/dbraw/zinc/80/85/81/873808581.db2.gz YWLBHUZBFZPEIG-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211349610 875764617 /nfs/dbraw/zinc/76/46/17/875764617.db2.gz HRFNMQRZELILBW-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213339842 875901730 /nfs/dbraw/zinc/90/17/30/875901730.db2.gz CNFYOZNVPMGJBC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442924 875938052 /nfs/dbraw/zinc/93/80/52/875938052.db2.gz ZLARITLRSGMGBX-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442924 875938062 /nfs/dbraw/zinc/93/80/62/875938062.db2.gz ZLARITLRSGMGBX-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001213442924 875938074 /nfs/dbraw/zinc/93/80/74/875938074.db2.gz ZLARITLRSGMGBX-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576547 875982794 /nfs/dbraw/zinc/98/27/94/875982794.db2.gz PXCICWHVWCVZPZ-HZPDHXFCSA-N 2 1 320.437 1.363 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576547 875982811 /nfs/dbraw/zinc/98/28/11/875982811.db2.gz PXCICWHVWCVZPZ-HZPDHXFCSA-N 2 1 320.437 1.363 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931171 876106571 /nfs/dbraw/zinc/10/65/71/876106571.db2.gz DVQLMHYCZVVKPI-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931171 876106581 /nfs/dbraw/zinc/10/65/81/876106581.db2.gz DVQLMHYCZVVKPI-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393137 876696310 /nfs/dbraw/zinc/69/63/10/876696310.db2.gz PBGPTHBULCJBHV-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393137 876696312 /nfs/dbraw/zinc/69/63/12/876696312.db2.gz PBGPTHBULCJBHV-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001276728609 876801770 /nfs/dbraw/zinc/80/17/70/876801770.db2.gz VZLSLHFRUWVILE-QKDCVEJESA-N 2 1 313.873 1.765 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850808 877080813 /nfs/dbraw/zinc/08/08/13/877080813.db2.gz RXGOBHXFFCGEML-NXHRZFHOSA-N 2 1 313.445 1.749 20 30 DDEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218211263 877420499 /nfs/dbraw/zinc/42/04/99/877420499.db2.gz VAMJNZZHAYIDHG-SFHVURJKSA-N 3 1 301.434 1.907 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004568 877867133 /nfs/dbraw/zinc/86/71/33/877867133.db2.gz MNIPLLVSYWSMEX-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004568 877867136 /nfs/dbraw/zinc/86/71/36/877867136.db2.gz MNIPLLVSYWSMEX-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004568 877867141 /nfs/dbraw/zinc/86/71/41/877867141.db2.gz MNIPLLVSYWSMEX-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCC)[C@H]2C1 ZINC001219006737 877869931 /nfs/dbraw/zinc/86/99/31/877869931.db2.gz VBSUBBMQUFDSQA-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219006737 877869942 /nfs/dbraw/zinc/86/99/42/877869942.db2.gz VBSUBBMQUFDSQA-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219006737 877869950 /nfs/dbraw/zinc/86/99/50/877869950.db2.gz VBSUBBMQUFDSQA-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001380134302 878863598 /nfs/dbraw/zinc/86/35/98/878863598.db2.gz QFMZUVABZAXTPF-UHFFFAOYSA-N 2 1 304.232 1.085 20 30 DDEDMP C=CCOc1ccccc1[C@@H](C)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220663950 879167194 /nfs/dbraw/zinc/16/71/94/879167194.db2.gz SDOCLCBMOSTVAZ-CQSZACIVSA-N 2 1 317.433 1.770 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380494784 879779437 /nfs/dbraw/zinc/77/94/37/879779437.db2.gz GZBAJMCDEUIMFD-GDBMZVCRSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380494784 879779455 /nfs/dbraw/zinc/77/94/55/879779455.db2.gz GZBAJMCDEUIMFD-GDBMZVCRSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380494784 879779471 /nfs/dbraw/zinc/77/94/71/879779471.db2.gz GZBAJMCDEUIMFD-GDBMZVCRSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380494784 879779485 /nfs/dbraw/zinc/77/94/85/879779485.db2.gz GZBAJMCDEUIMFD-GDBMZVCRSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001357346476 879925731 /nfs/dbraw/zinc/92/57/31/879925731.db2.gz KOFRXAMCDTZMTM-KKUMJFAQSA-N 2 1 311.470 1.674 20 30 DDEDMP N#CCOc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222090469 880234145 /nfs/dbraw/zinc/23/41/45/880234145.db2.gz CUDSJHBWKOIPDP-UHFFFAOYSA-N 2 1 300.406 1.116 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001276829660 880425994 /nfs/dbraw/zinc/42/59/94/880425994.db2.gz JIKPLNMXHVDMSK-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001222618631 880604592 /nfs/dbraw/zinc/60/45/92/880604592.db2.gz WEFAOTHWUGRHEQ-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222618631 880604599 /nfs/dbraw/zinc/60/45/99/880604599.db2.gz WEFAOTHWUGRHEQ-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222618631 880604608 /nfs/dbraw/zinc/60/46/08/880604608.db2.gz WEFAOTHWUGRHEQ-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001230279886 884405989 /nfs/dbraw/zinc/40/59/89/884405989.db2.gz JRLKRSYQCDTGDI-KZNAEPCWSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC=C ZINC001235469429 888663158 /nfs/dbraw/zinc/66/31/58/888663158.db2.gz DPUCFYXCZBEWSC-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCC=C ZINC001235469429 888663162 /nfs/dbraw/zinc/66/31/62/888663162.db2.gz DPUCFYXCZBEWSC-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC=C ZINC001235469429 888663167 /nfs/dbraw/zinc/66/31/67/888663167.db2.gz DPUCFYXCZBEWSC-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC=C ZINC001235469429 888663169 /nfs/dbraw/zinc/66/31/69/888663169.db2.gz DPUCFYXCZBEWSC-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C=C(C)COc1ccccc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC001236082542 889098204 /nfs/dbraw/zinc/09/82/04/889098204.db2.gz HFIVQJFIBUOWCP-UHFFFAOYSA-N 2 1 303.450 1.979 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001366206293 892734765 /nfs/dbraw/zinc/73/47/65/892734765.db2.gz LZZICOCCTJBXGH-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278459059 892752446 /nfs/dbraw/zinc/75/24/46/892752446.db2.gz IAEVPEPKQXHXQV-LZLYRXPVSA-N 2 1 323.481 1.642 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccccc1C#N)[NH+](C)C ZINC001366638370 894393570 /nfs/dbraw/zinc/39/35/70/894393570.db2.gz LXXRMDOKHUWIRF-KRWDZBQOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccccc1C#N)[NH+](C)C ZINC001366638370 894393587 /nfs/dbraw/zinc/39/35/87/894393587.db2.gz LXXRMDOKHUWIRF-KRWDZBQOSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001251885363 894868181 /nfs/dbraw/zinc/86/81/81/894868181.db2.gz TZKZBRPYLDYJRJ-YTQUADARSA-N 2 1 316.445 1.640 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001251885363 894868205 /nfs/dbraw/zinc/86/82/05/894868205.db2.gz TZKZBRPYLDYJRJ-YTQUADARSA-N 2 1 316.445 1.640 20 30 DDEDMP C=CCC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001252613812 895314365 /nfs/dbraw/zinc/31/43/65/895314365.db2.gz BIJDSYNFRKDXBF-GOSISDBHSA-N 2 1 304.434 1.936 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(C#N)c1 ZINC001367282801 896339808 /nfs/dbraw/zinc/33/98/08/896339808.db2.gz DFOCTESXSFQTRW-WMLDXEAASA-N 2 1 314.433 1.352 20 30 DDEDMP CC[C@H](CC#N)[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001255168636 896766072 /nfs/dbraw/zinc/76/60/72/896766072.db2.gz UJNWWLRDQGSRIK-MRXNPFEDSA-N 2 1 316.449 1.503 20 30 DDEDMP CC[C@H](CC#N)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001255168636 896766078 /nfs/dbraw/zinc/76/60/78/896766078.db2.gz UJNWWLRDQGSRIK-MRXNPFEDSA-N 2 1 316.449 1.503 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCOC ZINC001279044337 897945207 /nfs/dbraw/zinc/94/52/07/897945207.db2.gz HOHBYLCEZRVKSN-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCOC ZINC001279044337 897945216 /nfs/dbraw/zinc/94/52/16/897945216.db2.gz HOHBYLCEZRVKSN-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCOC ZINC001279044337 897945226 /nfs/dbraw/zinc/94/52/26/897945226.db2.gz HOHBYLCEZRVKSN-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCOC ZINC001279044337 897945232 /nfs/dbraw/zinc/94/52/32/897945232.db2.gz HOHBYLCEZRVKSN-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367856692 898047217 /nfs/dbraw/zinc/04/72/17/898047217.db2.gz NMNXXYXRIAZSCS-WMLDXEAASA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367856692 898047231 /nfs/dbraw/zinc/04/72/31/898047231.db2.gz NMNXXYXRIAZSCS-WMLDXEAASA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367856692 898047244 /nfs/dbraw/zinc/04/72/44/898047244.db2.gz NMNXXYXRIAZSCS-WMLDXEAASA-N 2 1 314.433 1.446 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccnc(NCC)c2)C1 ZINC001263747624 900691635 /nfs/dbraw/zinc/69/16/35/900691635.db2.gz WBUSRKXEIZBPHX-HNNXBMFYSA-N 2 1 315.421 1.410 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccnc(NCC)c2)C1 ZINC001263747624 900691642 /nfs/dbraw/zinc/69/16/42/900691642.db2.gz WBUSRKXEIZBPHX-HNNXBMFYSA-N 2 1 315.421 1.410 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001391022256 900707330 /nfs/dbraw/zinc/70/73/30/900707330.db2.gz LETHRSVQUWCDEX-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001391022256 900707341 /nfs/dbraw/zinc/70/73/41/900707341.db2.gz LETHRSVQUWCDEX-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001391022256 900707353 /nfs/dbraw/zinc/70/73/53/900707353.db2.gz LETHRSVQUWCDEX-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001264532472 901172987 /nfs/dbraw/zinc/17/29/87/901172987.db2.gz RROPRTIXCNYRPU-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264586744 901197854 /nfs/dbraw/zinc/19/78/54/901197854.db2.gz TXLBOJGPGIHZSQ-PVAVHDDUSA-N 2 1 305.466 1.565 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264586744 901197861 /nfs/dbraw/zinc/19/78/61/901197861.db2.gz TXLBOJGPGIHZSQ-PVAVHDDUSA-N 2 1 305.466 1.565 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264586744 901197868 /nfs/dbraw/zinc/19/78/68/901197868.db2.gz TXLBOJGPGIHZSQ-PVAVHDDUSA-N 2 1 305.466 1.565 20 30 DDEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001264636155 901237883 /nfs/dbraw/zinc/23/78/83/901237883.db2.gz OQSVHWCFLNFTJJ-DLBZAZTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001264636155 901237894 /nfs/dbraw/zinc/23/78/94/901237894.db2.gz OQSVHWCFLNFTJJ-DLBZAZTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001264636155 901237905 /nfs/dbraw/zinc/23/79/05/901237905.db2.gz OQSVHWCFLNFTJJ-DLBZAZTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265027247 901455259 /nfs/dbraw/zinc/45/52/59/901455259.db2.gz KDPQMKGRPJQDAP-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265027247 901455264 /nfs/dbraw/zinc/45/52/64/901455264.db2.gz KDPQMKGRPJQDAP-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC/C=C/CC)C1 ZINC001265987124 902713410 /nfs/dbraw/zinc/71/34/10/902713410.db2.gz UFUGHKBDXHBNHF-ZBKUBXTQSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC/C=C/CC)C1 ZINC001265987124 902713421 /nfs/dbraw/zinc/71/34/21/902713421.db2.gz UFUGHKBDXHBNHF-ZBKUBXTQSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001279368344 903236475 /nfs/dbraw/zinc/23/64/75/903236475.db2.gz OWLIOYGAHVTVIS-MRXNPFEDSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCOCC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001281517773 904966732 /nfs/dbraw/zinc/96/67/32/904966732.db2.gz FVQTWNPSSLVXNJ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001392919613 905691523 /nfs/dbraw/zinc/69/15/23/905691523.db2.gz RYLFUXFANWNOTK-KBPBESRZSA-N 2 1 311.857 1.994 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282957275 906328365 /nfs/dbraw/zinc/32/83/65/906328365.db2.gz GFCOMRLGAHLAPV-YESZJQIVSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284155407 908561502 /nfs/dbraw/zinc/56/15/02/908561502.db2.gz UPWYBOLPGHRRAO-GOEBONIOSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284155407 908561513 /nfs/dbraw/zinc/56/15/13/908561513.db2.gz UPWYBOLPGHRRAO-GOEBONIOSA-N 2 1 320.437 1.363 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001376846167 919557981 /nfs/dbraw/zinc/55/79/81/919557981.db2.gz HPXAVJPUTOGSOQ-CYBMUJFWSA-N 2 1 320.412 1.633 20 30 DDEDMP CC(C)C[N@@H+](C)CCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000593181739 355819183 /nfs/dbraw/zinc/81/91/83/355819183.db2.gz GHSPPBHIVKLPIR-MRXNPFEDSA-N 2 1 302.422 1.652 20 30 DDEDMP CCC[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1CCOC ZINC000594453225 356223669 /nfs/dbraw/zinc/22/36/69/356223669.db2.gz NMAANUMRUBCTOC-JKSUJKDBSA-N 2 1 324.469 1.357 20 30 DDEDMP CCC[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1CCOC ZINC000594453225 356223673 /nfs/dbraw/zinc/22/36/73/356223673.db2.gz NMAANUMRUBCTOC-JKSUJKDBSA-N 2 1 324.469 1.357 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000596365221 356864243 /nfs/dbraw/zinc/86/42/43/356864243.db2.gz XDWRLQOSXMBGEG-LBPRGKRZSA-N 2 1 320.397 1.545 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000596365221 356864248 /nfs/dbraw/zinc/86/42/48/356864248.db2.gz XDWRLQOSXMBGEG-LBPRGKRZSA-N 2 1 320.397 1.545 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(CC#N)C3)CC2)CC1 ZINC000598024003 357430914 /nfs/dbraw/zinc/43/09/14/357430914.db2.gz BSCXFRNSFUZJPY-UHFFFAOYSA-N 2 1 318.465 1.555 20 30 DDEDMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)cc1 ZINC000602602951 359066063 /nfs/dbraw/zinc/06/60/63/359066063.db2.gz PBZVRYKSTPKICJ-IRXDYDNUSA-N 2 1 314.433 1.707 20 30 DDEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000602596089 359062149 /nfs/dbraw/zinc/06/21/49/359062149.db2.gz GMDGJZQUDNEPCT-IBGZPJMESA-N 2 1 322.412 1.810 20 30 DDEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000602596089 359062153 /nfs/dbraw/zinc/06/21/53/359062153.db2.gz GMDGJZQUDNEPCT-IBGZPJMESA-N 2 1 322.412 1.810 20 30 DDEDMP Cc1cc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)ccc1C#N ZINC000603234984 359503658 /nfs/dbraw/zinc/50/36/58/359503658.db2.gz GSQGPKPLGACDIJ-UHFFFAOYSA-N 2 1 324.432 1.472 20 30 DDEDMP N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000609144387 360266749 /nfs/dbraw/zinc/26/67/49/360266749.db2.gz UMXSUDREIKJIBQ-BETUJISGSA-N 2 1 318.808 1.691 20 30 DDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000609257027 360275950 /nfs/dbraw/zinc/27/59/50/360275950.db2.gz LTOCIKNUIRZCDS-KRWDZBQOSA-N 2 1 314.433 1.400 20 30 DDEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)C#N)C2)CC1 ZINC000611623950 360778208 /nfs/dbraw/zinc/77/82/08/360778208.db2.gz KULYPCAVERJPTD-ZDUSSCGKSA-N 2 1 307.442 1.004 20 30 DDEDMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCC(C)(C)C#N)C2)CC1 ZINC000611623950 360778215 /nfs/dbraw/zinc/77/82/15/360778215.db2.gz KULYPCAVERJPTD-ZDUSSCGKSA-N 2 1 307.442 1.004 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000348261594 223382275 /nfs/dbraw/zinc/38/22/75/223382275.db2.gz GZXSFJLPCJXNHN-RHSMWYFYSA-N 2 1 319.453 1.956 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000348261594 223382276 /nfs/dbraw/zinc/38/22/76/223382276.db2.gz GZXSFJLPCJXNHN-RHSMWYFYSA-N 2 1 319.453 1.956 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424142696 286061548 /nfs/dbraw/zinc/06/15/48/286061548.db2.gz ISZSQAZOCQYPGN-XHSDSOJGSA-N 2 1 324.469 1.261 20 30 DDEDMP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000104162777 407348714 /nfs/dbraw/zinc/34/87/14/407348714.db2.gz CKDGBHMZBPKHFC-UHFFFAOYSA-N 2 1 317.481 1.591 20 30 DDEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1cccs1 ZINC000178583652 407499598 /nfs/dbraw/zinc/49/95/98/407499598.db2.gz PBIMRWWDCCVGDA-UKRRQHHQSA-N 2 1 322.478 1.778 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911198 407551007 /nfs/dbraw/zinc/55/10/07/407551007.db2.gz YIQJBCUCDLUCLF-CVEARBPZSA-N 2 1 320.412 1.308 20 30 DDEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000191337962 408407617 /nfs/dbraw/zinc/40/76/17/408407617.db2.gz YLPZQNYDDADKNA-AWEZNQCLSA-N 2 1 304.438 1.421 20 30 DDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC000191330529 408409023 /nfs/dbraw/zinc/40/90/23/408409023.db2.gz QSCWWMUIKFDJMU-INIZCTEOSA-N 2 1 301.438 1.109 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000270432559 408533780 /nfs/dbraw/zinc/53/37/80/408533780.db2.gz OSYDORXKYXJGAO-HNNXBMFYSA-N 2 1 319.409 1.526 20 30 DDEDMP Cn1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1C#N ZINC000190956015 163166357 /nfs/dbraw/zinc/16/63/57/163166357.db2.gz HWVMRYUOMOCIQU-UHFFFAOYSA-N 2 1 303.454 1.260 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000282518851 409057293 /nfs/dbraw/zinc/05/72/93/409057293.db2.gz GHHICAUUBAHSOV-IAGOWNOFSA-N 2 1 318.465 1.725 20 30 DDEDMP CCc1cccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)c1 ZINC000303873098 409555232 /nfs/dbraw/zinc/55/52/32/409555232.db2.gz GPBKEYYIUOEWBW-UHFFFAOYSA-N 2 1 303.454 1.613 20 30 DDEDMP C[C@H]1C[N@@H+](CCCSCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360691928 418493151 /nfs/dbraw/zinc/49/31/51/418493151.db2.gz NQVJVAHDHNHJEY-JKSUJKDBSA-N 2 1 310.511 1.591 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885933 418530811 /nfs/dbraw/zinc/53/08/11/418530811.db2.gz QLVCSZFQZDEVMR-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261994200 222268406 /nfs/dbraw/zinc/26/84/06/222268406.db2.gz RZAGGNTVCGUZST-FUHWJXTLSA-N 2 1 322.497 1.795 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262004106 222269542 /nfs/dbraw/zinc/26/95/42/222269542.db2.gz VCROKPOQHQPSCK-JSGCOSHPSA-N 2 1 316.540 1.484 20 30 DDEDMP CCc1nc(CNC(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)=[NH+]C)cs1 ZINC000262000826 222269769 /nfs/dbraw/zinc/26/97/69/222269769.db2.gz UKVMFJBOCJOFTL-SMDDNHRTSA-N 2 1 321.494 1.853 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)cn1 ZINC000262436469 222280714 /nfs/dbraw/zinc/28/07/14/222280714.db2.gz GLVGVXNYODQUEC-LBPRGKRZSA-N 2 1 314.393 1.111 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCOC2(CCC2)C1 ZINC000263025811 222301378 /nfs/dbraw/zinc/30/13/78/222301378.db2.gz APSYBEURFBXWRX-GJZGRUSLSA-N 2 1 308.470 1.724 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(OC)cc1 ZINC000264074566 222314110 /nfs/dbraw/zinc/31/41/10/222314110.db2.gz FGKUUALFOTVSPL-GOEBONIOSA-N 2 1 320.437 1.117 20 30 DDEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430927015 420209467 /nfs/dbraw/zinc/20/94/67/420209467.db2.gz HMDISMHYBVJULY-KBPBESRZSA-N 2 1 307.463 1.932 20 30 DDEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430927015 420209470 /nfs/dbraw/zinc/20/94/70/420209470.db2.gz HMDISMHYBVJULY-KBPBESRZSA-N 2 1 307.463 1.932 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000490657391 421193461 /nfs/dbraw/zinc/19/34/61/421193461.db2.gz VTSXJVQWXKAWDW-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000491778126 421203506 /nfs/dbraw/zinc/20/35/06/421203506.db2.gz HRAIVCCZPQFWHR-MRXNPFEDSA-N 2 1 306.454 1.211 20 30 DDEDMP CC[C@@H](C#N)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572301659 421776023 /nfs/dbraw/zinc/77/60/23/421776023.db2.gz LARYEILSPZWDPH-HNNXBMFYSA-N 2 1 306.454 1.601 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528379398 267283039 /nfs/dbraw/zinc/28/30/39/267283039.db2.gz GTKNPTCQUNVEBY-GOEBONIOSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528379398 267283041 /nfs/dbraw/zinc/28/30/41/267283041.db2.gz GTKNPTCQUNVEBY-GOEBONIOSA-N 2 1 303.406 1.181 20 30 DDEDMP CCC#C[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000677479929 486477243 /nfs/dbraw/zinc/47/72/43/486477243.db2.gz RLJHOXPSBFJPDQ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000491785539 526828024 /nfs/dbraw/zinc/82/80/24/526828024.db2.gz SKLOSXGZJISDLA-OAHLLOKOSA-N 2 1 315.417 1.452 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000491785539 526828027 /nfs/dbraw/zinc/82/80/27/526828027.db2.gz SKLOSXGZJISDLA-OAHLLOKOSA-N 2 1 315.417 1.452 20 30 DDEDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000346820865 528339399 /nfs/dbraw/zinc/33/93/99/528339399.db2.gz IJCANLATXVZGRH-UHFFFAOYSA-N 2 1 320.481 1.993 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673985 695058697 /nfs/dbraw/zinc/05/86/97/695058697.db2.gz LZLIFLNZKKRMCX-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000971673985 695058699 /nfs/dbraw/zinc/05/86/99/695058699.db2.gz LZLIFLNZKKRMCX-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000971673985 695058702 /nfs/dbraw/zinc/05/87/02/695058702.db2.gz LZLIFLNZKKRMCX-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972006392 695138086 /nfs/dbraw/zinc/13/80/86/695138086.db2.gz SFIASYDAUYJUGS-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000972409507 695242066 /nfs/dbraw/zinc/24/20/66/695242066.db2.gz PJKRKABQYWLBFT-SFHVURJKSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972409507 695242067 /nfs/dbraw/zinc/24/20/67/695242067.db2.gz PJKRKABQYWLBFT-SFHVURJKSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972409507 695242070 /nfs/dbraw/zinc/24/20/70/695242070.db2.gz PJKRKABQYWLBFT-SFHVURJKSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972409507 695242071 /nfs/dbraw/zinc/24/20/71/695242071.db2.gz PJKRKABQYWLBFT-SFHVURJKSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978139244 696329803 /nfs/dbraw/zinc/32/98/03/696329803.db2.gz DAQRUGNFEPTNCS-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978139244 696329805 /nfs/dbraw/zinc/32/98/05/696329805.db2.gz DAQRUGNFEPTNCS-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978139244 696329806 /nfs/dbraw/zinc/32/98/06/696329806.db2.gz DAQRUGNFEPTNCS-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978153029 696332850 /nfs/dbraw/zinc/33/28/50/696332850.db2.gz HQWXNTJRHNDRSY-SMLCLMEVSA-N 2 1 303.450 1.034 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978153029 696332852 /nfs/dbraw/zinc/33/28/52/696332852.db2.gz HQWXNTJRHNDRSY-SMLCLMEVSA-N 2 1 303.450 1.034 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978153029 696332854 /nfs/dbraw/zinc/33/28/54/696332854.db2.gz HQWXNTJRHNDRSY-SMLCLMEVSA-N 2 1 303.450 1.034 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978199410 696340443 /nfs/dbraw/zinc/34/04/43/696340443.db2.gz QFLHHMYPBXLPOE-XLAORIBOSA-N 2 1 317.477 1.588 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978254389 696351891 /nfs/dbraw/zinc/35/18/91/696351891.db2.gz WDWUJVUNBCDXKD-TVFCKZIOSA-N 2 1 317.477 1.282 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978254389 696351892 /nfs/dbraw/zinc/35/18/92/696351892.db2.gz WDWUJVUNBCDXKD-TVFCKZIOSA-N 2 1 317.477 1.282 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978254389 696351897 /nfs/dbraw/zinc/35/18/97/696351897.db2.gz WDWUJVUNBCDXKD-TVFCKZIOSA-N 2 1 317.477 1.282 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC=C)C[C@H]32)CC1 ZINC000979086932 696493492 /nfs/dbraw/zinc/49/34/92/696493492.db2.gz IZFSHDIXBHCEOF-NNZMDNLPSA-N 2 1 315.461 1.202 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000981165728 697024095 /nfs/dbraw/zinc/02/40/95/697024095.db2.gz ZBZXQLYCXMWJKX-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981229618 697040955 /nfs/dbraw/zinc/04/09/55/697040955.db2.gz BXTQXUFFBDLMEW-HUUCEWRRSA-N 2 1 314.433 1.412 20 30 DDEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981231404 697041484 /nfs/dbraw/zinc/04/14/84/697041484.db2.gz RKQSZPVJPJDIAX-LSDHHAIUSA-N 2 1 316.449 1.965 20 30 DDEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148578 697042291 /nfs/dbraw/zinc/04/22/91/697042291.db2.gz OCPBXIVBHAAXBA-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982148578 697042293 /nfs/dbraw/zinc/04/22/93/697042293.db2.gz OCPBXIVBHAAXBA-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982148578 697042294 /nfs/dbraw/zinc/04/22/94/697042294.db2.gz OCPBXIVBHAAXBA-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982148578 697042296 /nfs/dbraw/zinc/04/22/96/697042296.db2.gz OCPBXIVBHAAXBA-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150558 697043238 /nfs/dbraw/zinc/04/32/38/697043238.db2.gz KNKMEKAJZSYNRN-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982307846 697089544 /nfs/dbraw/zinc/08/95/44/697089544.db2.gz CAQNGYPRFKIZFT-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982307846 697089546 /nfs/dbraw/zinc/08/95/46/697089546.db2.gz CAQNGYPRFKIZFT-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982307846 697089549 /nfs/dbraw/zinc/08/95/49/697089549.db2.gz CAQNGYPRFKIZFT-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982652563 697165353 /nfs/dbraw/zinc/16/53/53/697165353.db2.gz WGTCKFATSWDOFC-HDICACEKSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982652563 697165355 /nfs/dbraw/zinc/16/53/55/697165355.db2.gz WGTCKFATSWDOFC-HDICACEKSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC(=C)Cl)CC1 ZINC000985476334 697517120 /nfs/dbraw/zinc/51/71/20/697517120.db2.gz REMWGUNBTISXLT-INIZCTEOSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(=C)Cl)CC1 ZINC000985476334 697517123 /nfs/dbraw/zinc/51/71/23/697517123.db2.gz REMWGUNBTISXLT-INIZCTEOSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(=C)Cl)CC1 ZINC000985476334 697517126 /nfs/dbraw/zinc/51/71/26/697517126.db2.gz REMWGUNBTISXLT-INIZCTEOSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(=C)Cl)CC1 ZINC000985476334 697517128 /nfs/dbraw/zinc/51/71/28/697517128.db2.gz REMWGUNBTISXLT-INIZCTEOSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCC2CC2)CC1 ZINC000985476877 697517361 /nfs/dbraw/zinc/51/73/61/697517361.db2.gz VEKYDNQSVTUMND-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC000985476877 697517363 /nfs/dbraw/zinc/51/73/63/697517363.db2.gz VEKYDNQSVTUMND-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC2CC2)CC1 ZINC000985476877 697517364 /nfs/dbraw/zinc/51/73/64/697517364.db2.gz VEKYDNQSVTUMND-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC2CC2)CC1 ZINC000985476877 697517365 /nfs/dbraw/zinc/51/73/65/697517365.db2.gz VEKYDNQSVTUMND-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989192962 698553490 /nfs/dbraw/zinc/55/34/90/698553490.db2.gz HLTJXJBORKOZSN-GJZGRUSLSA-N 2 1 316.449 1.917 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303771973 698605680 /nfs/dbraw/zinc/60/56/80/698605680.db2.gz DEFUTZOZXVOZJQ-INIZCTEOSA-N 2 1 320.437 1.779 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303771083 698605729 /nfs/dbraw/zinc/60/57/29/698605729.db2.gz CIYMGAUPDWBCLH-MRXNPFEDSA-N 3 1 309.502 1.497 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc2c(c1)OCO2 ZINC000303793098 698607756 /nfs/dbraw/zinc/60/77/56/698607756.db2.gz ZADHCAJRDLACTP-AWEZNQCLSA-N 2 1 318.421 1.346 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303863980 698607817 /nfs/dbraw/zinc/60/78/17/698607817.db2.gz ATVOEKBYTBKQDF-HNNXBMFYSA-N 2 1 318.465 1.764 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303863980 698607819 /nfs/dbraw/zinc/60/78/19/698607819.db2.gz ATVOEKBYTBKQDF-HNNXBMFYSA-N 2 1 318.465 1.764 20 30 DDEDMP CC[N@@H+](CCNC(=[NH2+])Nc1cc(OC)ccc1OC)C1CC1 ZINC000303980196 698612291 /nfs/dbraw/zinc/61/22/91/698612291.db2.gz NVJBABNJQVTPGW-UHFFFAOYSA-N 2 1 306.410 1.915 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(F)c1 ZINC000304805907 698625391 /nfs/dbraw/zinc/62/53/91/698625391.db2.gz RQJJHYZJORBMMB-UKRRQHHQSA-N 2 1 322.428 1.982 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000304814473 698625410 /nfs/dbraw/zinc/62/54/10/698625410.db2.gz ZTYPIBYQZWLOOA-INIZCTEOSA-N 3 1 311.518 1.884 20 30 DDEDMP CCOCCC1(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)CCC1 ZINC000305075037 698631466 /nfs/dbraw/zinc/63/14/66/698631466.db2.gz NHBFDTOZBWYUCF-HNNXBMFYSA-N 2 1 310.486 1.972 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000756091611 700602773 /nfs/dbraw/zinc/60/27/73/700602773.db2.gz YDNZGSQNEKRBNG-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000756091611 700602775 /nfs/dbraw/zinc/60/27/75/700602775.db2.gz YDNZGSQNEKRBNG-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCCCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000758894427 700727814 /nfs/dbraw/zinc/72/78/14/700727814.db2.gz LDZHJPXBQXFPFS-QGZVFWFLSA-N 2 1 322.497 1.847 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000766561696 701055955 /nfs/dbraw/zinc/05/59/55/701055955.db2.gz YMNSOHZJPKEJKI-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000766561696 701055957 /nfs/dbraw/zinc/05/59/57/701055957.db2.gz YMNSOHZJPKEJKI-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](O)(CC#N)C3)cc2)CC1 ZINC000843425666 702878760 /nfs/dbraw/zinc/87/87/60/702878760.db2.gz UTQBNPTWTMELIB-GOSISDBHSA-N 2 1 314.433 1.289 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879578063 706725234 /nfs/dbraw/zinc/72/52/34/706725234.db2.gz AQDAMHLPQLBQON-OAGGEKHMSA-N 2 1 307.438 1.084 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879578063 706725237 /nfs/dbraw/zinc/72/52/37/706725237.db2.gz AQDAMHLPQLBQON-OAGGEKHMSA-N 2 1 307.438 1.084 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879578063 706725241 /nfs/dbraw/zinc/72/52/41/706725241.db2.gz AQDAMHLPQLBQON-OAGGEKHMSA-N 2 1 307.438 1.084 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879578063 706725243 /nfs/dbraw/zinc/72/52/43/706725243.db2.gz AQDAMHLPQLBQON-OAGGEKHMSA-N 2 1 307.438 1.084 20 30 DDEDMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664507 706757241 /nfs/dbraw/zinc/75/72/41/706757241.db2.gz FEKQEKNHPKLRNE-GOEBONIOSA-N 2 1 301.390 1.833 20 30 DDEDMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664507 706757244 /nfs/dbraw/zinc/75/72/44/706757244.db2.gz FEKQEKNHPKLRNE-GOEBONIOSA-N 2 1 301.390 1.833 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819641886 704155282 /nfs/dbraw/zinc/15/52/82/704155282.db2.gz FURDMSIZJPXYFA-ZWKOTPCHSA-N 2 1 313.445 1.837 20 30 DDEDMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1cccc(Cl)c1 ZINC000834484429 707066478 /nfs/dbraw/zinc/06/64/78/707066478.db2.gz ITVBNWANFMMSDC-BNOWGMLFSA-N 2 1 306.797 1.170 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883131390 707935705 /nfs/dbraw/zinc/93/57/05/707935705.db2.gz ZZAFLDWIFKOQMH-UHFFFAOYSA-N 2 1 315.461 1.692 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000883131390 707935708 /nfs/dbraw/zinc/93/57/08/707935708.db2.gz ZZAFLDWIFKOQMH-UHFFFAOYSA-N 2 1 315.461 1.692 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000884075133 708127738 /nfs/dbraw/zinc/12/77/38/708127738.db2.gz NOHYJYNFLOIDKM-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000884075133 708127740 /nfs/dbraw/zinc/12/77/40/708127740.db2.gz NOHYJYNFLOIDKM-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000884075133 708127741 /nfs/dbraw/zinc/12/77/41/708127741.db2.gz NOHYJYNFLOIDKM-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000884075133 708127743 /nfs/dbraw/zinc/12/77/43/708127743.db2.gz NOHYJYNFLOIDKM-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884179914 708174816 /nfs/dbraw/zinc/17/48/16/708174816.db2.gz FXWPVYNTOJMTLR-UERKLNTKSA-N 2 1 318.465 1.506 20 30 DDEDMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884398618 708280596 /nfs/dbraw/zinc/28/05/96/708280596.db2.gz JBMFCKXKIRYDAM-DLOXAQCQSA-N 2 1 304.438 1.115 20 30 DDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)C1 ZINC000886068444 708691967 /nfs/dbraw/zinc/69/19/67/708691967.db2.gz YKROPTIIELKGMU-IRXDYDNUSA-N 2 1 320.481 1.143 20 30 DDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)C1 ZINC000886068444 708691970 /nfs/dbraw/zinc/69/19/70/708691970.db2.gz YKROPTIIELKGMU-IRXDYDNUSA-N 2 1 320.481 1.143 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000900018816 709268805 /nfs/dbraw/zinc/26/88/05/709268805.db2.gz SMPQGUASFVDOTI-UHFFFAOYSA-N 2 1 308.451 1.968 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000900018816 709268807 /nfs/dbraw/zinc/26/88/07/709268807.db2.gz SMPQGUASFVDOTI-UHFFFAOYSA-N 2 1 308.451 1.968 20 30 DDEDMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(C#N)ccn1 ZINC000902793943 710902841 /nfs/dbraw/zinc/90/28/41/710902841.db2.gz OYWSJUDITJJPQW-OAHLLOKOSA-N 2 1 315.465 1.877 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905273256 711988530 /nfs/dbraw/zinc/98/85/30/711988530.db2.gz KXNGTAHTPDJIMO-INIZCTEOSA-N 2 1 315.417 1.452 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905273256 711988532 /nfs/dbraw/zinc/98/85/32/711988532.db2.gz KXNGTAHTPDJIMO-INIZCTEOSA-N 2 1 315.417 1.452 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908436285 712771802 /nfs/dbraw/zinc/77/18/02/712771802.db2.gz OCSQMFJXWHGXCN-UHFFFAOYSA-N 2 1 312.417 1.976 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648753 716897028 /nfs/dbraw/zinc/89/70/28/716897028.db2.gz HVIDBRQTXHCGCY-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648753 716897033 /nfs/dbraw/zinc/89/70/33/716897033.db2.gz HVIDBRQTXHCGCY-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648753 716897021 /nfs/dbraw/zinc/89/70/21/716897021.db2.gz HVIDBRQTXHCGCY-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648753 716897039 /nfs/dbraw/zinc/89/70/39/716897039.db2.gz HVIDBRQTXHCGCY-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942051901 717451323 /nfs/dbraw/zinc/45/13/23/717451323.db2.gz BIWMTWKVYHSUEN-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089819 718391857 /nfs/dbraw/zinc/39/18/57/718391857.db2.gz IEINQDRODJKIQC-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903346 718702825 /nfs/dbraw/zinc/70/28/25/718702825.db2.gz FIQIWKJDFIQEEF-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735825 718895215 /nfs/dbraw/zinc/89/52/15/718895215.db2.gz SABXBXPTJVPTJP-XLAORIBOSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735825 718895218 /nfs/dbraw/zinc/89/52/18/718895218.db2.gz SABXBXPTJVPTJP-XLAORIBOSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735825 718895221 /nfs/dbraw/zinc/89/52/21/718895221.db2.gz SABXBXPTJVPTJP-XLAORIBOSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946858961 718928462 /nfs/dbraw/zinc/92/84/62/718928462.db2.gz HUMZJTDTIGUUMK-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946858961 718928465 /nfs/dbraw/zinc/92/84/65/718928465.db2.gz HUMZJTDTIGUUMK-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946858961 718928467 /nfs/dbraw/zinc/92/84/67/718928467.db2.gz HUMZJTDTIGUUMK-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892454 718937792 /nfs/dbraw/zinc/93/77/92/718937792.db2.gz CGNHYLDHBYAQRS-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892454 718937795 /nfs/dbraw/zinc/93/77/95/718937795.db2.gz CGNHYLDHBYAQRS-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892454 718937799 /nfs/dbraw/zinc/93/77/99/718937799.db2.gz CGNHYLDHBYAQRS-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947472612 719176994 /nfs/dbraw/zinc/17/69/94/719176994.db2.gz HXSMAOUHZRARSD-KGLIPLIRSA-N 2 1 320.437 1.895 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947472612 719176996 /nfs/dbraw/zinc/17/69/96/719176996.db2.gz HXSMAOUHZRARSD-KGLIPLIRSA-N 2 1 320.437 1.895 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459860 719598771 /nfs/dbraw/zinc/59/87/71/719598771.db2.gz OTUNXMMAYVNMFU-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655739 719719308 /nfs/dbraw/zinc/71/93/08/719719308.db2.gz RVZYYKKVEHHUFN-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655739 719719313 /nfs/dbraw/zinc/71/93/13/719719313.db2.gz RVZYYKKVEHHUFN-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949051890 719874309 /nfs/dbraw/zinc/87/43/09/719874309.db2.gz SGPCXAZZKMNPGX-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000968925441 719874826 /nfs/dbraw/zinc/87/48/26/719874826.db2.gz DHMWURZFWOIBRK-HZPDHXFCSA-N 2 1 316.449 1.992 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000949474859 720111807 /nfs/dbraw/zinc/11/18/07/720111807.db2.gz QIXYTQVUGBSPCQ-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326511 720711519 /nfs/dbraw/zinc/71/15/19/720711519.db2.gz TYWLTFZBMCSIKS-RDJZCZTQSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326511 720711523 /nfs/dbraw/zinc/71/15/23/720711523.db2.gz TYWLTFZBMCSIKS-RDJZCZTQSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326537 720711582 /nfs/dbraw/zinc/71/15/82/720711582.db2.gz UHMIRJWPXYXOLH-HOCLYGCPSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326537 720711586 /nfs/dbraw/zinc/71/15/86/720711586.db2.gz UHMIRJWPXYXOLH-HOCLYGCPSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588205 735327005 /nfs/dbraw/zinc/32/70/05/735327005.db2.gz STTSTMCUYQFPCA-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588205 735327009 /nfs/dbraw/zinc/32/70/09/735327009.db2.gz STTSTMCUYQFPCA-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039115983 732761322 /nfs/dbraw/zinc/76/13/22/732761322.db2.gz PIPIRKHYJIPLIT-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232517 732847555 /nfs/dbraw/zinc/84/75/55/732847555.db2.gz FUUBDSLZMBUQJV-ZDUSSCGKSA-N 2 1 313.873 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021631777 733385958 /nfs/dbraw/zinc/38/59/58/733385958.db2.gz ADNLBAKJSYNOOB-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700043 733462619 /nfs/dbraw/zinc/46/26/19/733462619.db2.gz MQINZVAFFHOJAB-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023411284 735217488 /nfs/dbraw/zinc/21/74/88/735217488.db2.gz BULJYSQPKTZEAB-CVEARBPZSA-N 2 1 314.433 1.612 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023411284 735217490 /nfs/dbraw/zinc/21/74/90/735217490.db2.gz BULJYSQPKTZEAB-CVEARBPZSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001023423555 735224686 /nfs/dbraw/zinc/22/46/86/735224686.db2.gz ZFKATCLAQQFQRY-RTWZZBQXSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001023423555 735224690 /nfs/dbraw/zinc/22/46/90/735224690.db2.gz ZFKATCLAQQFQRY-RTWZZBQXSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C/C=C/Cl)C1 ZINC001023423555 735224692 /nfs/dbraw/zinc/22/46/92/735224692.db2.gz ZFKATCLAQQFQRY-RTWZZBQXSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C/C=C/Cl)C1 ZINC001023423555 735224696 /nfs/dbraw/zinc/22/46/96/735224696.db2.gz ZFKATCLAQQFQRY-RTWZZBQXSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254620 751359480 /nfs/dbraw/zinc/35/94/80/751359480.db2.gz NSSMNODLLONKQU-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024444207 735831345 /nfs/dbraw/zinc/83/13/45/735831345.db2.gz WMQYKPZBOBVXJG-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479875 735862524 /nfs/dbraw/zinc/86/25/24/735862524.db2.gz RZSJXVRJHVLYCJ-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479875 735862530 /nfs/dbraw/zinc/86/25/30/735862530.db2.gz RZSJXVRJHVLYCJ-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561640 735939589 /nfs/dbraw/zinc/93/95/89/735939589.db2.gz UEBDZQMVHVNCQL-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561640 735939591 /nfs/dbraw/zinc/93/95/91/735939591.db2.gz UEBDZQMVHVNCQL-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561640 735939593 /nfs/dbraw/zinc/93/95/93/735939593.db2.gz UEBDZQMVHVNCQL-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647388 736000205 /nfs/dbraw/zinc/00/02/05/736000205.db2.gz MMWLVLPQIGWCOP-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647388 736000207 /nfs/dbraw/zinc/00/02/07/736000207.db2.gz MMWLVLPQIGWCOP-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024691743 736024183 /nfs/dbraw/zinc/02/41/83/736024183.db2.gz BHUMCOQBKIAHEH-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024691743 736024188 /nfs/dbraw/zinc/02/41/88/736024188.db2.gz BHUMCOQBKIAHEH-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691743 736024194 /nfs/dbraw/zinc/02/41/94/736024194.db2.gz BHUMCOQBKIAHEH-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691743 736024200 /nfs/dbraw/zinc/02/42/00/736024200.db2.gz BHUMCOQBKIAHEH-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC=C)CC1 ZINC001024811837 736107696 /nfs/dbraw/zinc/10/76/96/736107696.db2.gz AXNZHCYXSSNLBO-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104587700 736437465 /nfs/dbraw/zinc/43/74/65/736437465.db2.gz CMVKDMXVCMUZQG-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818142 736869018 /nfs/dbraw/zinc/86/90/18/736869018.db2.gz ULEJZVNCVVUTCF-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818142 736869020 /nfs/dbraw/zinc/86/90/20/736869020.db2.gz ULEJZVNCVVUTCF-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818142 736869023 /nfs/dbraw/zinc/86/90/23/736869023.db2.gz ULEJZVNCVVUTCF-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020150397 736999502 /nfs/dbraw/zinc/99/95/02/736999502.db2.gz SHDLSMNDIUPIKQ-ZQDZILKHSA-N 2 1 311.857 1.850 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139818 737139691 /nfs/dbraw/zinc/13/96/91/737139691.db2.gz URQWIDXDDZNVQQ-DMRKSPOLSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066951 737500884 /nfs/dbraw/zinc/50/08/84/737500884.db2.gz HGZXWIRTGCIFBB-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026508944 737626436 /nfs/dbraw/zinc/62/64/36/737626436.db2.gz RHHNWUZKTQOPLH-ABHNRTSZSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001026508944 737626438 /nfs/dbraw/zinc/62/64/38/737626438.db2.gz RHHNWUZKTQOPLH-ABHNRTSZSA-N 2 1 317.477 1.901 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137341 739079155 /nfs/dbraw/zinc/07/91/55/739079155.db2.gz GWWYWTPLSIBFIU-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137341 739079157 /nfs/dbraw/zinc/07/91/57/739079157.db2.gz GWWYWTPLSIBFIU-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138679 739080606 /nfs/dbraw/zinc/08/06/06/739080606.db2.gz VZTFNGSPHNGRJH-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138679 739080610 /nfs/dbraw/zinc/08/06/10/739080610.db2.gz VZTFNGSPHNGRJH-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028260746 739247726 /nfs/dbraw/zinc/24/77/26/739247726.db2.gz ZTRXGOKLTOBXND-OAHLLOKOSA-N 2 1 323.400 1.485 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028755525 739996102 /nfs/dbraw/zinc/99/61/02/739996102.db2.gz RMNBYWANBOXFGU-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028755525 739996106 /nfs/dbraw/zinc/99/61/06/739996106.db2.gz RMNBYWANBOXFGU-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028755525 739996108 /nfs/dbraw/zinc/99/61/08/739996108.db2.gz RMNBYWANBOXFGU-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921799 740175895 /nfs/dbraw/zinc/17/58/95/740175895.db2.gz ZTUWEGJDYUKIOM-QGZVFWFLSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001029003610 740248563 /nfs/dbraw/zinc/24/85/63/740248563.db2.gz OHKSBZOHISBDNE-INIZCTEOSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601527 740672775 /nfs/dbraw/zinc/67/27/75/740672775.db2.gz WDPAWTNKUFJDRR-YESZJQIVSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087601527 740672776 /nfs/dbraw/zinc/67/27/76/740672776.db2.gz WDPAWTNKUFJDRR-YESZJQIVSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)[C@H]1CC ZINC001087601619 740673280 /nfs/dbraw/zinc/67/32/80/740673280.db2.gz AWUOZAZJSQBRBF-XHSDSOJGSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601619 740673281 /nfs/dbraw/zinc/67/32/81/740673281.db2.gz AWUOZAZJSQBRBF-XHSDSOJGSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601619 740673283 /nfs/dbraw/zinc/67/32/83/740673283.db2.gz AWUOZAZJSQBRBF-XHSDSOJGSA-N 2 1 314.433 1.753 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630510 740683807 /nfs/dbraw/zinc/68/38/07/740683807.db2.gz MPXZRFZPJOVEQZ-SOUVJXGZSA-N 2 1 302.422 1.601 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=C)C)CC1 ZINC001029596186 741130299 /nfs/dbraw/zinc/13/02/99/741130299.db2.gz DDHQAYBDNOMWHX-HDICACEKSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001088323686 741385960 /nfs/dbraw/zinc/38/59/60/741385960.db2.gz VTTGVLLSOOHAJC-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369381 741438203 /nfs/dbraw/zinc/43/82/03/741438203.db2.gz IRVDDZGKIKNBAV-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622039 742020245 /nfs/dbraw/zinc/02/02/45/742020245.db2.gz FMBOCELJFORVNL-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622039 742020247 /nfs/dbraw/zinc/02/02/47/742020247.db2.gz FMBOCELJFORVNL-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622039 742020252 /nfs/dbraw/zinc/02/02/52/742020252.db2.gz FMBOCELJFORVNL-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088655581 742055028 /nfs/dbraw/zinc/05/50/28/742055028.db2.gz GRIJKHKBOLGIRD-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433577 742179516 /nfs/dbraw/zinc/17/95/16/742179516.db2.gz KXYHBBJDLYEHBG-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433577 742179519 /nfs/dbraw/zinc/17/95/19/742179519.db2.gz KXYHBBJDLYEHBG-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433577 742179522 /nfs/dbraw/zinc/17/95/22/742179522.db2.gz KXYHBBJDLYEHBG-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264330 742286150 /nfs/dbraw/zinc/28/61/50/742286150.db2.gz NQESWLBHODJIEA-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264330 742286153 /nfs/dbraw/zinc/28/61/53/742286153.db2.gz NQESWLBHODJIEA-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264330 742286154 /nfs/dbraw/zinc/28/61/54/742286154.db2.gz NQESWLBHODJIEA-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C(C)C)C2)CC1 ZINC001035724673 751814071 /nfs/dbraw/zinc/81/40/71/751814071.db2.gz NVRGYMPZDTWKRK-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](C(C)C)C2)CC1 ZINC001035724673 751814080 /nfs/dbraw/zinc/81/40/80/751814080.db2.gz NVRGYMPZDTWKRK-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001181764185 743333486 /nfs/dbraw/zinc/33/34/86/743333486.db2.gz NNXPXKFOMMHYCN-HHXXYDBFSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC2CC2)C1 ZINC001181764185 743333496 /nfs/dbraw/zinc/33/34/96/743333496.db2.gz NNXPXKFOMMHYCN-HHXXYDBFSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040397381 743502213 /nfs/dbraw/zinc/50/22/13/743502213.db2.gz ZCPPJZAIGWOBHK-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040397381 743502219 /nfs/dbraw/zinc/50/22/19/743502219.db2.gz ZCPPJZAIGWOBHK-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040397381 743502229 /nfs/dbraw/zinc/50/22/29/743502229.db2.gz ZCPPJZAIGWOBHK-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206549288 743755249 /nfs/dbraw/zinc/75/52/49/743755249.db2.gz YTCDYAMDTDFZLE-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035795608 751883411 /nfs/dbraw/zinc/88/34/11/751883411.db2.gz WYYKSAKYHWHPQS-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035797253 751884665 /nfs/dbraw/zinc/88/46/65/751884665.db2.gz GUONPUWGMBZQMY-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035835252 751930737 /nfs/dbraw/zinc/93/07/37/751930737.db2.gz UKFHVYLDDIAUNI-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCCN3C)CCC[C@H]12 ZINC000992115824 744609650 /nfs/dbraw/zinc/60/96/50/744609650.db2.gz CTFXTLYQIRWNJF-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992115824 744609653 /nfs/dbraw/zinc/60/96/53/744609653.db2.gz CTFXTLYQIRWNJF-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992115824 744609655 /nfs/dbraw/zinc/60/96/55/744609655.db2.gz CTFXTLYQIRWNJF-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992115824 744609657 /nfs/dbraw/zinc/60/96/57/744609657.db2.gz CTFXTLYQIRWNJF-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137659 744628199 /nfs/dbraw/zinc/62/81/99/744628199.db2.gz OFQMUQNNYMPICJ-LZLYRXPVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137659 744628202 /nfs/dbraw/zinc/62/82/02/744628202.db2.gz OFQMUQNNYMPICJ-LZLYRXPVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137659 744628205 /nfs/dbraw/zinc/62/82/05/744628205.db2.gz OFQMUQNNYMPICJ-LZLYRXPVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137659 744628208 /nfs/dbraw/zinc/62/82/08/744628208.db2.gz OFQMUQNNYMPICJ-LZLYRXPVSA-N 2 1 321.465 1.395 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992350030 744812882 /nfs/dbraw/zinc/81/28/82/744812882.db2.gz JEXGPHYNMZPCQO-PKOBYXMFSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992350030 744812886 /nfs/dbraw/zinc/81/28/86/744812886.db2.gz JEXGPHYNMZPCQO-PKOBYXMFSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992487758 744914134 /nfs/dbraw/zinc/91/41/34/744914134.db2.gz MFGVIQQKAGAINR-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992487758 744914136 /nfs/dbraw/zinc/91/41/36/744914136.db2.gz MFGVIQQKAGAINR-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001110417384 744964149 /nfs/dbraw/zinc/96/41/49/744964149.db2.gz XBTQWFRVBMHTET-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001110417384 744964154 /nfs/dbraw/zinc/96/41/54/744964154.db2.gz XBTQWFRVBMHTET-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001110417384 744964156 /nfs/dbraw/zinc/96/41/56/744964156.db2.gz XBTQWFRVBMHTET-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001110417384 744964160 /nfs/dbraw/zinc/96/41/60/744964160.db2.gz XBTQWFRVBMHTET-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369455 745038565 /nfs/dbraw/zinc/03/85/65/745038565.db2.gz VJHMIBBEOXSUOU-SJLPKXTDSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369455 745038571 /nfs/dbraw/zinc/03/85/71/745038571.db2.gz VJHMIBBEOXSUOU-SJLPKXTDSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369455 745038574 /nfs/dbraw/zinc/03/85/74/745038574.db2.gz VJHMIBBEOXSUOU-SJLPKXTDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324790 745182155 /nfs/dbraw/zinc/18/21/55/745182155.db2.gz OWPTVXSXSYXSSH-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190370890 745205230 /nfs/dbraw/zinc/20/52/30/745205230.db2.gz KSZBVRNDFADUAS-JKSUJKDBSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370890 745205235 /nfs/dbraw/zinc/20/52/35/745205235.db2.gz KSZBVRNDFADUAS-JKSUJKDBSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370890 745205238 /nfs/dbraw/zinc/20/52/38/745205238.db2.gz KSZBVRNDFADUAS-JKSUJKDBSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3nccn32)C1 ZINC001190653061 745284961 /nfs/dbraw/zinc/28/49/61/745284961.db2.gz BJQKOYPQQRECTR-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653061 745284966 /nfs/dbraw/zinc/28/49/66/745284966.db2.gz BJQKOYPQQRECTR-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653061 745284967 /nfs/dbraw/zinc/28/49/67/745284967.db2.gz BJQKOYPQQRECTR-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190947604 745378348 /nfs/dbraw/zinc/37/83/48/745378348.db2.gz RCSPLJQYVMTHBN-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190947604 745378354 /nfs/dbraw/zinc/37/83/54/745378354.db2.gz RCSPLJQYVMTHBN-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001190947604 745378359 /nfs/dbraw/zinc/37/83/59/745378359.db2.gz RCSPLJQYVMTHBN-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191544124 745538954 /nfs/dbraw/zinc/53/89/54/745538954.db2.gz ZEDHIEIGOHMNCU-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354439 745765006 /nfs/dbraw/zinc/76/50/06/745765006.db2.gz LSOJLARIEAUOJP-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354439 745765008 /nfs/dbraw/zinc/76/50/08/745765008.db2.gz LSOJLARIEAUOJP-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192436123 745790608 /nfs/dbraw/zinc/79/06/08/745790608.db2.gz TXJFZLGWDDOKRC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001112380683 745849608 /nfs/dbraw/zinc/84/96/08/745849608.db2.gz UINDKHDQQKLISP-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194028281 746257002 /nfs/dbraw/zinc/25/70/02/746257002.db2.gz XAAHNKMADRLZBO-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994130360 746455799 /nfs/dbraw/zinc/45/57/99/746455799.db2.gz XKAISRHIKRYUDW-NVXWUHKLSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994130362 746455862 /nfs/dbraw/zinc/45/58/62/746455862.db2.gz XKAISRHIKRYUDW-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416819 746835484 /nfs/dbraw/zinc/83/54/84/746835484.db2.gz QMNKVEQBBMJBIJ-OWCLPIDISA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416819 746835488 /nfs/dbraw/zinc/83/54/88/746835488.db2.gz QMNKVEQBBMJBIJ-OWCLPIDISA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416819 746835493 /nfs/dbraw/zinc/83/54/93/746835493.db2.gz QMNKVEQBBMJBIJ-OWCLPIDISA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416819 746835497 /nfs/dbraw/zinc/83/54/97/746835497.db2.gz QMNKVEQBBMJBIJ-OWCLPIDISA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089442088 746912871 /nfs/dbraw/zinc/91/28/71/746912871.db2.gz NGDDUBQHZWWISR-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089442088 746912874 /nfs/dbraw/zinc/91/28/74/746912874.db2.gz NGDDUBQHZWWISR-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477983 747170854 /nfs/dbraw/zinc/17/08/54/747170854.db2.gz RJCKHCJZXPXBCF-QGZVFWFLSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477983 747170856 /nfs/dbraw/zinc/17/08/56/747170856.db2.gz RJCKHCJZXPXBCF-QGZVFWFLSA-N 2 1 307.482 1.910 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001198190678 747414975 /nfs/dbraw/zinc/41/49/75/747414975.db2.gz QQNMOOARKZJZMB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001198190678 747414977 /nfs/dbraw/zinc/41/49/77/747414977.db2.gz QQNMOOARKZJZMB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001198190678 747414978 /nfs/dbraw/zinc/41/49/78/747414978.db2.gz QQNMOOARKZJZMB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001198190678 747414979 /nfs/dbraw/zinc/41/49/79/747414979.db2.gz QQNMOOARKZJZMB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001198190678 747414981 /nfs/dbraw/zinc/41/49/81/747414981.db2.gz QQNMOOARKZJZMB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001198190953 747415934 /nfs/dbraw/zinc/41/59/34/747415934.db2.gz YLDPJSPTXUOSEE-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001198190953 747415935 /nfs/dbraw/zinc/41/59/35/747415935.db2.gz YLDPJSPTXUOSEE-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001198190953 747415936 /nfs/dbraw/zinc/41/59/36/747415936.db2.gz YLDPJSPTXUOSEE-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001198190953 747415937 /nfs/dbraw/zinc/41/59/37/747415937.db2.gz YLDPJSPTXUOSEE-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902324 747639157 /nfs/dbraw/zinc/63/91/57/747639157.db2.gz JSSQRCDMNVCZOE-HOTGVXAUSA-N 2 1 317.433 1.416 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089731322 747710214 /nfs/dbraw/zinc/71/02/14/747710214.db2.gz CZIIPGKEFBNMHK-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089731322 747710218 /nfs/dbraw/zinc/71/02/18/747710218.db2.gz CZIIPGKEFBNMHK-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089731322 747710221 /nfs/dbraw/zinc/71/02/21/747710221.db2.gz CZIIPGKEFBNMHK-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089838181 748031918 /nfs/dbraw/zinc/03/19/18/748031918.db2.gz JJFFAZCFMCKCPV-HZMVEIRTSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089838181 748031921 /nfs/dbraw/zinc/03/19/21/748031921.db2.gz JJFFAZCFMCKCPV-HZMVEIRTSA-N 2 1 314.433 1.546 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200546253 748272769 /nfs/dbraw/zinc/27/27/69/748272769.db2.gz ARKQREQHXXTZFP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805086 748350937 /nfs/dbraw/zinc/35/09/37/748350937.db2.gz IXAOGGSLFQKQMO-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004376617 748384021 /nfs/dbraw/zinc/38/40/21/748384021.db2.gz WEAILHODZBDXGW-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004376617 748384027 /nfs/dbraw/zinc/38/40/27/748384027.db2.gz WEAILHODZBDXGW-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001004376617 748384034 /nfs/dbraw/zinc/38/40/34/748384034.db2.gz WEAILHODZBDXGW-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001004383418 748391389 /nfs/dbraw/zinc/39/13/89/748391389.db2.gz YOCXUAIHRIVNCZ-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004383418 748391400 /nfs/dbraw/zinc/39/14/00/748391400.db2.gz YOCXUAIHRIVNCZ-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004383418 748391409 /nfs/dbraw/zinc/39/14/09/748391409.db2.gz YOCXUAIHRIVNCZ-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004383418 748391416 /nfs/dbraw/zinc/39/14/16/748391416.db2.gz YOCXUAIHRIVNCZ-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004383418 748391421 /nfs/dbraw/zinc/39/14/21/748391421.db2.gz YOCXUAIHRIVNCZ-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229658 748437223 /nfs/dbraw/zinc/43/72/23/748437223.db2.gz FNRZRDHGMPACFR-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201240564 748440298 /nfs/dbraw/zinc/44/02/98/748440298.db2.gz WUDZWUBUPWOXAK-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201240564 748440301 /nfs/dbraw/zinc/44/03/01/748440301.db2.gz WUDZWUBUPWOXAK-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001004498502 748486554 /nfs/dbraw/zinc/48/65/54/748486554.db2.gz IHRFKCOQJZRNBE-QGZVFWFLSA-N 2 1 314.433 1.609 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201421016 748510501 /nfs/dbraw/zinc/51/05/01/748510501.db2.gz RJMWASNOUKNOOR-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004615521 748590781 /nfs/dbraw/zinc/59/07/81/748590781.db2.gz HLBXFGXJSXOUGE-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202071139 748675596 /nfs/dbraw/zinc/67/55/96/748675596.db2.gz WVEXFAKTEHEZMM-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110615355 748828302 /nfs/dbraw/zinc/82/83/02/748828302.db2.gz OXQSXNXKGCUSDG-QXSJWSMHSA-N 2 1 311.445 1.964 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110741130 748970907 /nfs/dbraw/zinc/97/09/07/748970907.db2.gz SIYIZONNKSOPNP-ZACQAIPSSA-N 2 1 312.417 1.263 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295455 749143930 /nfs/dbraw/zinc/14/39/30/749143930.db2.gz KTJZIMZPIKAQBW-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295455 749143933 /nfs/dbraw/zinc/14/39/33/749143933.db2.gz KTJZIMZPIKAQBW-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033417976 749316656 /nfs/dbraw/zinc/31/66/56/749316656.db2.gz YOLAVCFAOUOSOZ-CABCVRRESA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033417976 749316660 /nfs/dbraw/zinc/31/66/60/749316660.db2.gz YOLAVCFAOUOSOZ-CABCVRRESA-N 2 1 302.422 1.473 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033471672 749380142 /nfs/dbraw/zinc/38/01/42/749380142.db2.gz NRFOBJZOEIJVBU-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033471672 749380149 /nfs/dbraw/zinc/38/01/49/749380149.db2.gz NRFOBJZOEIJVBU-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033471672 749380154 /nfs/dbraw/zinc/38/01/54/749380154.db2.gz NRFOBJZOEIJVBU-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033471672 749380157 /nfs/dbraw/zinc/38/01/57/749380157.db2.gz NRFOBJZOEIJVBU-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375712 761976312 /nfs/dbraw/zinc/97/63/12/761976312.db2.gz UDWOXDVYNZBOMK-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001039375712 761976316 /nfs/dbraw/zinc/97/63/16/761976316.db2.gz UDWOXDVYNZBOMK-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039374518 761976344 /nfs/dbraw/zinc/97/63/44/761976344.db2.gz ZMMJYNMKJDBCRC-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039374518 761976350 /nfs/dbraw/zinc/97/63/50/761976350.db2.gz ZMMJYNMKJDBCRC-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039374518 761976357 /nfs/dbraw/zinc/97/63/57/761976357.db2.gz ZMMJYNMKJDBCRC-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039374518 761976359 /nfs/dbraw/zinc/97/63/59/761976359.db2.gz ZMMJYNMKJDBCRC-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039374518 761976362 /nfs/dbraw/zinc/97/63/62/761976362.db2.gz ZMMJYNMKJDBCRC-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001095440978 749898967 /nfs/dbraw/zinc/89/89/67/749898967.db2.gz HREXCIHLDPVKRE-HMDCTGQHSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095440978 749898971 /nfs/dbraw/zinc/89/89/71/749898971.db2.gz HREXCIHLDPVKRE-HMDCTGQHSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095440978 749898975 /nfs/dbraw/zinc/89/89/75/749898975.db2.gz HREXCIHLDPVKRE-HMDCTGQHSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996686143 749908099 /nfs/dbraw/zinc/90/80/99/749908099.db2.gz SDSMGTOBPDKWNB-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996686143 749908105 /nfs/dbraw/zinc/90/81/05/749908105.db2.gz SDSMGTOBPDKWNB-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000996741482 750010636 /nfs/dbraw/zinc/01/06/36/750010636.db2.gz AQFADJLWPVZVSY-CQSZACIVSA-N 2 1 316.449 1.980 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033879911 750044040 /nfs/dbraw/zinc/04/40/40/750044040.db2.gz HUWQBTIUJBXHTM-CABCVRRESA-N 2 1 302.422 1.554 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095667943 750127444 /nfs/dbraw/zinc/12/74/44/750127444.db2.gz DVKUDLQXPUJOIU-QZWWFDLISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095667943 750127450 /nfs/dbraw/zinc/12/74/50/750127450.db2.gz DVKUDLQXPUJOIU-QZWWFDLISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095667943 750127453 /nfs/dbraw/zinc/12/74/53/750127453.db2.gz DVKUDLQXPUJOIU-QZWWFDLISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095667943 750127458 /nfs/dbraw/zinc/12/74/58/750127458.db2.gz DVKUDLQXPUJOIU-QZWWFDLISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001034044717 750311233 /nfs/dbraw/zinc/31/12/33/750311233.db2.gz DXNPPRVVTBVWCN-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C(C)C)C2)CC1 ZINC001034537887 750539924 /nfs/dbraw/zinc/53/99/24/750539924.db2.gz GMPWYHVXGCTTSD-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCF)CC1 ZINC000997149314 750582688 /nfs/dbraw/zinc/58/26/88/750582688.db2.gz MPGPREWOOIVDDK-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCF)CC1 ZINC000997149314 750582693 /nfs/dbraw/zinc/58/26/93/750582693.db2.gz MPGPREWOOIVDDK-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000708629 762116789 /nfs/dbraw/zinc/11/67/89/762116789.db2.gz QSAUITIOBSJDBG-KRWDZBQOSA-N 2 1 303.450 1.653 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993254 753355011 /nfs/dbraw/zinc/35/50/11/753355011.db2.gz LHPFOYSTZSYHDD-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554072 755977477 /nfs/dbraw/zinc/97/74/77/755977477.db2.gz ARCDIIMWDQHYED-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554072 755977480 /nfs/dbraw/zinc/97/74/80/755977480.db2.gz ARCDIIMWDQHYED-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557074 755979769 /nfs/dbraw/zinc/97/97/69/755979769.db2.gz DJZPPCOARSGTMQ-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557074 755979772 /nfs/dbraw/zinc/97/97/72/755979772.db2.gz DJZPPCOARSGTMQ-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080557074 755979775 /nfs/dbraw/zinc/97/97/75/755979775.db2.gz DJZPPCOARSGTMQ-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080557074 755979779 /nfs/dbraw/zinc/97/97/79/755979779.db2.gz DJZPPCOARSGTMQ-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202434 762436689 /nfs/dbraw/zinc/43/66/89/762436689.db2.gz RKDBIWWIMGISNF-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202434 762436692 /nfs/dbraw/zinc/43/66/92/762436692.db2.gz RKDBIWWIMGISNF-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202434 762436697 /nfs/dbraw/zinc/43/66/97/762436697.db2.gz RKDBIWWIMGISNF-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC)C2 ZINC001040245420 762456809 /nfs/dbraw/zinc/45/68/09/762456809.db2.gz TZHYAGAQRVOREP-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001040245420 762456812 /nfs/dbraw/zinc/45/68/12/762456812.db2.gz TZHYAGAQRVOREP-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC)C2 ZINC001040245420 762456816 /nfs/dbraw/zinc/45/68/16/762456816.db2.gz TZHYAGAQRVOREP-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCC)C2 ZINC001040245420 762456820 /nfs/dbraw/zinc/45/68/20/762456820.db2.gz TZHYAGAQRVOREP-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081979925 756584588 /nfs/dbraw/zinc/58/45/88/756584588.db2.gz HMYRBBXTNWLHPC-BRWVUGGUSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082200221 756674253 /nfs/dbraw/zinc/67/42/53/756674253.db2.gz WKYDBBJUBMGVOO-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016630855 757219654 /nfs/dbraw/zinc/21/96/54/757219654.db2.gz JWWMITOVNHVSGU-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016687369 757267238 /nfs/dbraw/zinc/26/72/38/757267238.db2.gz IFVAXMNYKTUUTC-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001084389040 757548963 /nfs/dbraw/zinc/54/89/63/757548963.db2.gz PTWYKLWHUCFMLH-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084389040 757548972 /nfs/dbraw/zinc/54/89/72/757548972.db2.gz PTWYKLWHUCFMLH-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389040 757548979 /nfs/dbraw/zinc/54/89/79/757548979.db2.gz PTWYKLWHUCFMLH-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389040 757548982 /nfs/dbraw/zinc/54/89/82/757548982.db2.gz PTWYKLWHUCFMLH-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040527646 762579440 /nfs/dbraw/zinc/57/94/40/762579440.db2.gz HMZOXDUROGRHOH-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040527646 762579447 /nfs/dbraw/zinc/57/94/47/762579447.db2.gz HMZOXDUROGRHOH-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834051 757961775 /nfs/dbraw/zinc/96/17/75/757961775.db2.gz IHNFKHYCTUCWTP-GVDBMIGSSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853496 757983802 /nfs/dbraw/zinc/98/38/02/757983802.db2.gz UOMJWPNBEBWLKC-ZACQAIPSSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853496 757983807 /nfs/dbraw/zinc/98/38/07/757983807.db2.gz UOMJWPNBEBWLKC-ZACQAIPSSA-N 2 1 303.450 1.273 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001017945089 758413566 /nfs/dbraw/zinc/41/35/66/758413566.db2.gz OVGXJCNXZRVGTG-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001017945089 758413568 /nfs/dbraw/zinc/41/35/68/758413568.db2.gz OVGXJCNXZRVGTG-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC001017945089 758413571 /nfs/dbraw/zinc/41/35/71/758413571.db2.gz OVGXJCNXZRVGTG-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001018181339 758607792 /nfs/dbraw/zinc/60/77/92/758607792.db2.gz MMKRZLKEHOPWOV-IYBDPMFKSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018304430 758714211 /nfs/dbraw/zinc/71/42/11/758714211.db2.gz FLFCCNWITXZVLC-VQHPVUNQSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001018304430 758714218 /nfs/dbraw/zinc/71/42/18/758714218.db2.gz FLFCCNWITXZVLC-VQHPVUNQSA-N 2 1 303.450 1.558 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054108088 759173716 /nfs/dbraw/zinc/17/37/16/759173716.db2.gz OKQSLATUVRCGSW-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054108088 759173720 /nfs/dbraw/zinc/17/37/20/759173720.db2.gz OKQSLATUVRCGSW-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054108088 759173726 /nfs/dbraw/zinc/17/37/26/759173726.db2.gz OKQSLATUVRCGSW-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054108088 759173729 /nfs/dbraw/zinc/17/37/29/759173729.db2.gz OKQSLATUVRCGSW-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160141 759242765 /nfs/dbraw/zinc/24/27/65/759242765.db2.gz XBBAPFMSNQADOC-IBGZPJMESA-N 2 1 322.412 1.896 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054228768 759318372 /nfs/dbraw/zinc/31/83/72/759318372.db2.gz ZJMHDZDBHHOTGU-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228768 759318376 /nfs/dbraw/zinc/31/83/76/759318376.db2.gz ZJMHDZDBHHOTGU-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228768 759318385 /nfs/dbraw/zinc/31/83/85/759318385.db2.gz ZJMHDZDBHHOTGU-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008019 760537197 /nfs/dbraw/zinc/53/71/97/760537197.db2.gz BVXSVOAHQMVYCT-HOTGVXAUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008019 760537202 /nfs/dbraw/zinc/53/72/02/760537202.db2.gz BVXSVOAHQMVYCT-HOTGVXAUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008019 760537210 /nfs/dbraw/zinc/53/72/10/760537210.db2.gz BVXSVOAHQMVYCT-HOTGVXAUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086478370 761682661 /nfs/dbraw/zinc/68/26/61/761682661.db2.gz OQJIEHQHCVEEJK-JYJNAYRXSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](C)CC)CC1 ZINC001039042328 761683182 /nfs/dbraw/zinc/68/31/82/761683182.db2.gz PXVYJZZJVFGOJX-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848194 762704346 /nfs/dbraw/zinc/70/43/46/762704346.db2.gz FUIMRWCWKVRYAB-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404821 762832828 /nfs/dbraw/zinc/83/28/28/762832828.db2.gz MNEHMRJCTZWZEM-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041360071 762979751 /nfs/dbraw/zinc/97/97/51/762979751.db2.gz WROPEWVONIDIMC-WMZOPIPTSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC#CC)C2)C1 ZINC001041366724 762982921 /nfs/dbraw/zinc/98/29/21/762982921.db2.gz AIXGQRFLTPMJMF-HKUYNNGSSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC#CC)C2)C1 ZINC001041366724 762982925 /nfs/dbraw/zinc/98/29/25/762982925.db2.gz AIXGQRFLTPMJMF-HKUYNNGSSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC#CC)C2)C1 ZINC001041366724 762982929 /nfs/dbraw/zinc/98/29/29/762982929.db2.gz AIXGQRFLTPMJMF-HKUYNNGSSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC#CC)C2)C1 ZINC001041366724 762982930 /nfs/dbraw/zinc/98/29/30/762982930.db2.gz AIXGQRFLTPMJMF-HKUYNNGSSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041504725 763084564 /nfs/dbraw/zinc/08/45/64/763084564.db2.gz BJIMDGYMFALUHP-PKOBYXMFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041601461 763171669 /nfs/dbraw/zinc/17/16/69/763171669.db2.gz JWVGCXQZMIXJDA-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041601461 763171674 /nfs/dbraw/zinc/17/16/74/763171674.db2.gz JWVGCXQZMIXJDA-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041601461 763171682 /nfs/dbraw/zinc/17/16/82/763171682.db2.gz JWVGCXQZMIXJDA-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046924164 768120235 /nfs/dbraw/zinc/12/02/35/768120235.db2.gz GNGMAPCLKYRORU-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046924164 768120237 /nfs/dbraw/zinc/12/02/37/768120237.db2.gz GNGMAPCLKYRORU-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046924164 768120240 /nfs/dbraw/zinc/12/02/40/768120240.db2.gz GNGMAPCLKYRORU-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC)CCC1(F)F ZINC001046946974 768141972 /nfs/dbraw/zinc/14/19/72/768141972.db2.gz AZQSGLAUXASYST-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC)CCC1(F)F ZINC001046946974 768141977 /nfs/dbraw/zinc/14/19/77/768141977.db2.gz AZQSGLAUXASYST-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC)CCC1(F)F ZINC001046946974 768141983 /nfs/dbraw/zinc/14/19/83/768141983.db2.gz AZQSGLAUXASYST-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC)CCC1(F)F ZINC001046946974 768141990 /nfs/dbraw/zinc/14/19/90/768141990.db2.gz AZQSGLAUXASYST-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050663372 763888406 /nfs/dbraw/zinc/88/84/06/763888406.db2.gz RYRURDLFXLNARG-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046993117 768177486 /nfs/dbraw/zinc/17/74/86/768177486.db2.gz LBVAEOQSPWHKHO-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993117 768177489 /nfs/dbraw/zinc/17/74/89/768177489.db2.gz LBVAEOQSPWHKHO-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993117 768177490 /nfs/dbraw/zinc/17/74/90/768177490.db2.gz LBVAEOQSPWHKHO-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046993115 768177638 /nfs/dbraw/zinc/17/76/38/768177638.db2.gz LBVAEOQSPWHKHO-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993115 768177642 /nfs/dbraw/zinc/17/76/42/768177642.db2.gz LBVAEOQSPWHKHO-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993115 768177646 /nfs/dbraw/zinc/17/76/46/768177646.db2.gz LBVAEOQSPWHKHO-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042354032 763955272 /nfs/dbraw/zinc/95/52/72/763955272.db2.gz CZHRYBVNCVTYNV-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042354032 763955277 /nfs/dbraw/zinc/95/52/77/763955277.db2.gz CZHRYBVNCVTYNV-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050766772 764024669 /nfs/dbraw/zinc/02/46/69/764024669.db2.gz WINRYTXCWPLGIK-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CCC)C[C@H](C)O2 ZINC001131698012 768279800 /nfs/dbraw/zinc/27/98/00/768279800.db2.gz UNCATNJVGKJXGF-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@H](C)O2 ZINC001131698012 768279803 /nfs/dbraw/zinc/27/98/03/768279803.db2.gz UNCATNJVGKJXGF-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@H](C)O2 ZINC001131698012 768279806 /nfs/dbraw/zinc/27/98/06/768279806.db2.gz UNCATNJVGKJXGF-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131693541 768277104 /nfs/dbraw/zinc/27/71/04/768277104.db2.gz QILVUTSVWVWAFV-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131693541 768277105 /nfs/dbraw/zinc/27/71/05/768277105.db2.gz QILVUTSVWVWAFV-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131693541 768277107 /nfs/dbraw/zinc/27/71/07/768277107.db2.gz QILVUTSVWVWAFV-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001044679786 765748305 /nfs/dbraw/zinc/74/83/05/765748305.db2.gz BZBZREOAWLRHAI-GJZGRUSLSA-N 2 1 316.449 1.917 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386800 765781250 /nfs/dbraw/zinc/78/12/50/765781250.db2.gz SFSPPGSBSNNMMG-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444569 766311659 /nfs/dbraw/zinc/31/16/59/766311659.db2.gz PKCSLMAGPYREIM-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045538958 766387989 /nfs/dbraw/zinc/38/79/89/766387989.db2.gz QSUCFKTYVPVRDP-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001045643606 766470773 /nfs/dbraw/zinc/47/07/73/766470773.db2.gz NKLWLGGXGHDVPW-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045643606 766470774 /nfs/dbraw/zinc/47/07/74/766470774.db2.gz NKLWLGGXGHDVPW-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001130297738 767417792 /nfs/dbraw/zinc/41/77/92/767417792.db2.gz QIOIISBKWFHGOM-QGZVFWFLSA-N 2 1 317.408 1.367 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001130298002 767419587 /nfs/dbraw/zinc/41/95/87/767419587.db2.gz VHABVVKGOZESBN-MRXNPFEDSA-N 2 1 300.406 1.248 20 30 DDEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132153461 768649822 /nfs/dbraw/zinc/64/98/22/768649822.db2.gz QTVIAMSNGJDMPO-HOTGVXAUSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132153461 768649828 /nfs/dbraw/zinc/64/98/28/768649828.db2.gz QTVIAMSNGJDMPO-HOTGVXAUSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132153461 768649834 /nfs/dbraw/zinc/64/98/34/768649834.db2.gz QTVIAMSNGJDMPO-HOTGVXAUSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132153461 768649839 /nfs/dbraw/zinc/64/98/39/768649839.db2.gz QTVIAMSNGJDMPO-HOTGVXAUSA-N 2 1 323.481 1.336 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175519 769100000 /nfs/dbraw/zinc/10/00/00/769100000.db2.gz FWIJRXRUWZLAIK-NVXWUHKLSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132887221 769290196 /nfs/dbraw/zinc/29/01/96/769290196.db2.gz CZCFVCDGKAVMAS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049091068 770355418 /nfs/dbraw/zinc/35/54/18/770355418.db2.gz STSDZEILXWONQK-GASCZTMLSA-N 2 1 300.406 1.030 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049091068 770355427 /nfs/dbraw/zinc/35/54/27/770355427.db2.gz STSDZEILXWONQK-GASCZTMLSA-N 2 1 300.406 1.030 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071974598 770370793 /nfs/dbraw/zinc/37/07/93/770370793.db2.gz OIUVTAJRLQLGRZ-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107432 770391079 /nfs/dbraw/zinc/39/10/79/770391079.db2.gz JNWUJNBKSDTKTO-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107432 770391090 /nfs/dbraw/zinc/39/10/90/770391090.db2.gz JNWUJNBKSDTKTO-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107432 770391099 /nfs/dbraw/zinc/39/10/99/770391099.db2.gz JNWUJNBKSDTKTO-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114942 770401456 /nfs/dbraw/zinc/40/14/56/770401456.db2.gz XVZHOVZVRCKJAE-HDICACEKSA-N 2 1 313.445 1.938 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049476084 770904426 /nfs/dbraw/zinc/90/44/26/770904426.db2.gz BWFAIXPCUXTJPK-YESZJQIVSA-N 2 1 301.434 1.027 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478782 770907208 /nfs/dbraw/zinc/90/72/08/770907208.db2.gz RVJLDBOXWCDVKD-RCCFBDPRSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049706095 771100940 /nfs/dbraw/zinc/10/09/40/771100940.db2.gz XZUMVANNBPMOLY-IXDOHACOSA-N 2 1 305.466 1.661 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049720009 771112411 /nfs/dbraw/zinc/11/24/11/771112411.db2.gz QIGLDFNLSBWQFS-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049720009 771112413 /nfs/dbraw/zinc/11/24/13/771112413.db2.gz QIGLDFNLSBWQFS-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049720009 771112414 /nfs/dbraw/zinc/11/24/14/771112414.db2.gz QIGLDFNLSBWQFS-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090831662 772250618 /nfs/dbraw/zinc/25/06/18/772250618.db2.gz UPDJYKHYJSPVOV-IRXDYDNUSA-N 2 1 317.433 1.099 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091076230 772511108 /nfs/dbraw/zinc/51/11/08/772511108.db2.gz SLOJDTUQMISESP-JCYILVPMSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCC2)C1 ZINC001091076230 772511114 /nfs/dbraw/zinc/51/11/14/772511114.db2.gz SLOJDTUQMISESP-JCYILVPMSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731805 773527610 /nfs/dbraw/zinc/52/76/10/773527610.db2.gz WDCXAWKAQLMHLY-SCTDSRPQSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754605 773630510 /nfs/dbraw/zinc/63/05/10/773630510.db2.gz VOVGIWJISCXTRA-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754605 773630511 /nfs/dbraw/zinc/63/05/11/773630511.db2.gz VOVGIWJISCXTRA-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754605 773630513 /nfs/dbraw/zinc/63/05/13/773630513.db2.gz VOVGIWJISCXTRA-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091944131 773884818 /nfs/dbraw/zinc/88/48/18/773884818.db2.gz QIWSTCPBABGQFQ-SCTDSRPQSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091944131 773884822 /nfs/dbraw/zinc/88/48/22/773884822.db2.gz QIWSTCPBABGQFQ-SCTDSRPQSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091944131 773884824 /nfs/dbraw/zinc/88/48/24/773884824.db2.gz QIWSTCPBABGQFQ-SCTDSRPQSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753208 774250906 /nfs/dbraw/zinc/25/09/06/774250906.db2.gz BWWALWBZFKBQJA-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753208 774250911 /nfs/dbraw/zinc/25/09/11/774250911.db2.gz BWWALWBZFKBQJA-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093025008 774357015 /nfs/dbraw/zinc/35/70/15/774357015.db2.gz MKPBBLWCIXNNTF-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093025008 774357022 /nfs/dbraw/zinc/35/70/22/774357022.db2.gz MKPBBLWCIXNNTF-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093025008 774357028 /nfs/dbraw/zinc/35/70/28/774357028.db2.gz MKPBBLWCIXNNTF-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748956 774471127 /nfs/dbraw/zinc/47/11/27/774471127.db2.gz OJZJCTVYPLYLHC-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099030748 774781413 /nfs/dbraw/zinc/78/14/13/774781413.db2.gz ATRNAMZNDPFHOB-YJBOKZPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030748 774781416 /nfs/dbraw/zinc/78/14/16/774781416.db2.gz ATRNAMZNDPFHOB-YJBOKZPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030748 774781422 /nfs/dbraw/zinc/78/14/22/774781422.db2.gz ATRNAMZNDPFHOB-YJBOKZPZSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036833602 774804181 /nfs/dbraw/zinc/80/41/81/774804181.db2.gz VZRSIPPVNWIGGL-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099163496 774873217 /nfs/dbraw/zinc/87/32/17/774873217.db2.gz XRYJFNKUINBSHF-RDJZCZTQSA-N 2 1 300.406 1.186 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099163496 774873224 /nfs/dbraw/zinc/87/32/24/774873224.db2.gz XRYJFNKUINBSHF-RDJZCZTQSA-N 2 1 300.406 1.186 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099275739 774929635 /nfs/dbraw/zinc/92/96/35/774929635.db2.gz IWIBMXNVZDTKQD-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548017 775024584 /nfs/dbraw/zinc/02/45/84/775024584.db2.gz PDSLDRBQTLVPTA-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001100615234 776367817 /nfs/dbraw/zinc/36/78/17/776367817.db2.gz PYRUEVGOUNLSJN-HWOWSKLDSA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100896645 776678414 /nfs/dbraw/zinc/67/84/14/776678414.db2.gz CNYXCJQNUVJSQF-UHFFFAOYSA-N 2 1 301.862 1.955 20 30 DDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172304350 776743652 /nfs/dbraw/zinc/74/36/52/776743652.db2.gz KAQBEBDFYCUIID-MRXNPFEDSA-N 2 1 300.450 1.846 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357919 778094108 /nfs/dbraw/zinc/09/41/08/778094108.db2.gz OEQIMNHAMSIQIZ-BRWVUGGUSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513767 778179625 /nfs/dbraw/zinc/17/96/25/778179625.db2.gz AJOUFLQQTCNOGD-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513767 778179629 /nfs/dbraw/zinc/17/96/29/778179629.db2.gz AJOUFLQQTCNOGD-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513767 778179635 /nfs/dbraw/zinc/17/96/35/778179635.db2.gz AJOUFLQQTCNOGD-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177089962 778442631 /nfs/dbraw/zinc/44/26/31/778442631.db2.gz XNSQOMNAQJDEAO-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177089962 778442637 /nfs/dbraw/zinc/44/26/37/778442637.db2.gz XNSQOMNAQJDEAO-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177133300 778456063 /nfs/dbraw/zinc/45/60/63/778456063.db2.gz ZRHIDTITJOZPOP-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177133300 778456066 /nfs/dbraw/zinc/45/60/66/778456066.db2.gz ZRHIDTITJOZPOP-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103007498 778553827 /nfs/dbraw/zinc/55/38/27/778553827.db2.gz PMSSGCMMDANNSZ-QBPKDAKJSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103007498 778553830 /nfs/dbraw/zinc/55/38/30/778553830.db2.gz PMSSGCMMDANNSZ-QBPKDAKJSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103007498 778553835 /nfs/dbraw/zinc/55/38/35/778553835.db2.gz PMSSGCMMDANNSZ-QBPKDAKJSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001178693061 779144377 /nfs/dbraw/zinc/14/43/77/779144377.db2.gz JGAZWFYBDLPZRY-HNNXBMFYSA-N 2 1 302.422 1.660 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001112401670 779759819 /nfs/dbraw/zinc/75/98/19/779759819.db2.gz RKYHOKPKNQQMRK-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001119297406 781397259 /nfs/dbraw/zinc/39/72/59/781397259.db2.gz MXSHJTOEKZFXJV-ARFHVFGLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001119297406 781397268 /nfs/dbraw/zinc/39/72/68/781397268.db2.gz MXSHJTOEKZFXJV-ARFHVFGLSA-N 2 1 306.454 1.256 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001266488720 836338678 /nfs/dbraw/zinc/33/86/78/836338678.db2.gz OIYSCSSCZCHXCM-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001266527032 836417656 /nfs/dbraw/zinc/41/76/56/836417656.db2.gz CGJGYLKWASSFIN-BBRMVZONSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001266527032 836417663 /nfs/dbraw/zinc/41/76/63/836417663.db2.gz CGJGYLKWASSFIN-BBRMVZONSA-N 2 1 315.421 1.004 20 30 DDEDMP C=CC[N@@H+](CCC)CCNC(=O)Cc1cn2c(n1)CCCC2 ZINC001266563074 836475104 /nfs/dbraw/zinc/47/51/04/836475104.db2.gz YUEUKWJOEULZAK-UHFFFAOYSA-N 2 1 304.438 1.776 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]2C1 ZINC001271887257 844181308 /nfs/dbraw/zinc/18/13/08/844181308.db2.gz GFBQCMFLSAFDIE-HDICACEKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001271887257 844181312 /nfs/dbraw/zinc/18/13/12/844181312.db2.gz GFBQCMFLSAFDIE-HDICACEKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@H]2C1 ZINC001271887257 844181313 /nfs/dbraw/zinc/18/13/13/844181313.db2.gz GFBQCMFLSAFDIE-HDICACEKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001266856280 836945295 /nfs/dbraw/zinc/94/52/95/836945295.db2.gz NEKMTYWEGFIODB-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCN1CCCC[C@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001266856280 836945305 /nfs/dbraw/zinc/94/53/05/836945305.db2.gz NEKMTYWEGFIODB-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267547558 838283828 /nfs/dbraw/zinc/28/38/28/838283828.db2.gz OXFRJETUNYJBER-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267547558 838283833 /nfs/dbraw/zinc/28/38/33/838283833.db2.gz OXFRJETUNYJBER-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267547558 838283840 /nfs/dbraw/zinc/28/38/40/838283840.db2.gz OXFRJETUNYJBER-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267585096 838368306 /nfs/dbraw/zinc/36/83/06/838368306.db2.gz OLQHHOFNEMZHDE-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267585096 838368313 /nfs/dbraw/zinc/36/83/13/838368313.db2.gz OLQHHOFNEMZHDE-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267585096 838368318 /nfs/dbraw/zinc/36/83/18/838368318.db2.gz OLQHHOFNEMZHDE-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267590473 838380420 /nfs/dbraw/zinc/38/04/20/838380420.db2.gz SRFBHJJONXMVJD-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267779531 838958551 /nfs/dbraw/zinc/95/85/51/838958551.db2.gz RWTGTOXLJRAAMH-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001268181241 839803685 /nfs/dbraw/zinc/80/36/85/839803685.db2.gz WEZDNFAUKURBAA-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001272062845 844519965 /nfs/dbraw/zinc/51/99/65/844519965.db2.gz UVEGDQWEVTVZEY-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001269699685 841948119 /nfs/dbraw/zinc/94/81/19/841948119.db2.gz HREVIGMHSJCQKJ-IBGZPJMESA-N 2 1 317.477 1.810 20 30 DDEDMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001269837049 842092638 /nfs/dbraw/zinc/09/26/38/842092638.db2.gz BUSXVDJQWMCKAH-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001269837049 842092652 /nfs/dbraw/zinc/09/26/52/842092652.db2.gz BUSXVDJQWMCKAH-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270403964 842550316 /nfs/dbraw/zinc/55/03/16/842550316.db2.gz PYOXMFCPWRMWMY-SJORKVTESA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001280219077 842551921 /nfs/dbraw/zinc/55/19/21/842551921.db2.gz HSRJJPKUIGOFDJ-INIZCTEOSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001280367403 843223505 /nfs/dbraw/zinc/22/35/05/843223505.db2.gz HSTQPSPTZOQWRE-BRWVUGGUSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001271254371 843448013 /nfs/dbraw/zinc/44/80/13/843448013.db2.gz MXDCMHDNMKCITG-JKSUJKDBSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001271254371 843448017 /nfs/dbraw/zinc/44/80/17/843448017.db2.gz MXDCMHDNMKCITG-JKSUJKDBSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001327079688 861859941 /nfs/dbraw/zinc/85/99/41/861859941.db2.gz JPCGDZLWSYTQNO-HOTGVXAUSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001034365357 848421458 /nfs/dbraw/zinc/42/14/58/848421458.db2.gz ZXBKEVFJWVRMBR-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365357 848421459 /nfs/dbraw/zinc/42/14/59/848421459.db2.gz ZXBKEVFJWVRMBR-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365357 848421462 /nfs/dbraw/zinc/42/14/62/848421462.db2.gz ZXBKEVFJWVRMBR-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365357 848421467 /nfs/dbraw/zinc/42/14/67/848421467.db2.gz ZXBKEVFJWVRMBR-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@@]23CCN(CCCC#N)C3=O)C1 ZINC001273144843 848568115 /nfs/dbraw/zinc/56/81/15/848568115.db2.gz SXAAQMFPMKKMGU-AEFFLSMTSA-N 2 1 318.465 1.699 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@@]23CCN(CCCC#N)C3=O)C1 ZINC001273144843 848568121 /nfs/dbraw/zinc/56/81/21/848568121.db2.gz SXAAQMFPMKKMGU-AEFFLSMTSA-N 2 1 318.465 1.699 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)C1 ZINC001273144843 848568128 /nfs/dbraw/zinc/56/81/28/848568128.db2.gz SXAAQMFPMKKMGU-AEFFLSMTSA-N 2 1 318.465 1.699 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)C1 ZINC001273144843 848568131 /nfs/dbraw/zinc/56/81/31/848568131.db2.gz SXAAQMFPMKKMGU-AEFFLSMTSA-N 2 1 318.465 1.699 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150333909 862184699 /nfs/dbraw/zinc/18/46/99/862184699.db2.gz QVXQABLNTLWXCF-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150333909 862184710 /nfs/dbraw/zinc/18/47/10/862184710.db2.gz QVXQABLNTLWXCF-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150333909 862184720 /nfs/dbraw/zinc/18/47/20/862184720.db2.gz QVXQABLNTLWXCF-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001273763088 851314653 /nfs/dbraw/zinc/31/46/53/851314653.db2.gz OIHFYWNXWLIGKL-DLBZAZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCN1c2ccccc2[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826446 851390473 /nfs/dbraw/zinc/39/04/73/851390473.db2.gz FLZGULUVLNJEOD-FQEVSTJZSA-N 2 1 323.440 1.704 20 30 DDEDMP C#CCN1c2ccccc2[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826446 851390483 /nfs/dbraw/zinc/39/04/83/851390483.db2.gz FLZGULUVLNJEOD-FQEVSTJZSA-N 2 1 323.440 1.704 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001274263687 852107450 /nfs/dbraw/zinc/10/74/50/852107450.db2.gz SVCKNSABVSMYSK-BAHPRDJBSA-N 2 1 312.417 1.414 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275134840 852829693 /nfs/dbraw/zinc/82/96/93/852829693.db2.gz CCGHHWUTAYDNMJ-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275134840 852829694 /nfs/dbraw/zinc/82/96/94/852829694.db2.gz CCGHHWUTAYDNMJ-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275134840 852829695 /nfs/dbraw/zinc/82/96/95/852829695.db2.gz CCGHHWUTAYDNMJ-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001275632738 853460563 /nfs/dbraw/zinc/46/05/63/853460563.db2.gz MGZCVLSSVKXOTJ-GTPINHCMSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001275807242 853796420 /nfs/dbraw/zinc/79/64/20/853796420.db2.gz RGYURPGLPNFMIV-SJORKVTESA-N 2 1 323.481 1.549 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072827430 857763930 /nfs/dbraw/zinc/76/39/30/857763930.db2.gz IALASRLHDAIHCN-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072827430 857763937 /nfs/dbraw/zinc/76/39/37/857763937.db2.gz IALASRLHDAIHCN-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001072827430 857763947 /nfs/dbraw/zinc/76/39/47/857763947.db2.gz IALASRLHDAIHCN-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896567 857857734 /nfs/dbraw/zinc/85/77/34/857857734.db2.gz VKTKUVIDDNMNJP-UHFFFAOYSA-N 2 1 323.868 1.902 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896567 857857735 /nfs/dbraw/zinc/85/77/35/857857735.db2.gz VKTKUVIDDNMNJP-UHFFFAOYSA-N 2 1 323.868 1.902 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077399 858072537 /nfs/dbraw/zinc/07/25/37/858072537.db2.gz WADRTWKCVHVLOV-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125937 858121361 /nfs/dbraw/zinc/12/13/61/858121361.db2.gz OVXOZTDNPDZNHS-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462633 858356895 /nfs/dbraw/zinc/35/68/95/858356895.db2.gz VNOAFQYXGTTWBD-QGZVFWFLSA-N 2 1 311.429 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462633 858356906 /nfs/dbraw/zinc/35/69/06/858356906.db2.gz VNOAFQYXGTTWBD-QGZVFWFLSA-N 2 1 311.429 1.457 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599540 858474129 /nfs/dbraw/zinc/47/41/29/858474129.db2.gz HEEJBSGREYAKOF-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599540 858474133 /nfs/dbraw/zinc/47/41/33/858474133.db2.gz HEEJBSGREYAKOF-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599540 858474138 /nfs/dbraw/zinc/47/41/38/858474138.db2.gz HEEJBSGREYAKOF-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121772836 858592880 /nfs/dbraw/zinc/59/28/80/858592880.db2.gz HXLSWZXWHRVOCQ-XZZVAGQJSA-N 2 1 303.450 1.224 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325946454 860980905 /nfs/dbraw/zinc/98/09/05/860980905.db2.gz SGMYWKFLUZMORC-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325946454 860980910 /nfs/dbraw/zinc/98/09/10/860980910.db2.gz SGMYWKFLUZMORC-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325946454 860980922 /nfs/dbraw/zinc/98/09/22/860980922.db2.gz SGMYWKFLUZMORC-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001152451807 863359104 /nfs/dbraw/zinc/35/91/04/863359104.db2.gz IGMCQJVBEPYYKQ-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329146161 863501222 /nfs/dbraw/zinc/50/12/22/863501222.db2.gz KMGOXHGGITUHCI-GJZGRUSLSA-N 2 1 320.437 1.104 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1 ZINC001329303225 863587375 /nfs/dbraw/zinc/58/73/75/863587375.db2.gz NAQMUQCXRBGXER-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC1 ZINC001329303225 863587382 /nfs/dbraw/zinc/58/73/82/863587382.db2.gz NAQMUQCXRBGXER-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001329476350 863689505 /nfs/dbraw/zinc/68/95/05/863689505.db2.gz ZHWURURYXGHZSS-HUUCEWRRSA-N 2 1 320.437 1.085 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001330345191 864258432 /nfs/dbraw/zinc/25/84/32/864258432.db2.gz FXVUWLXCGMDOAC-PHZGNYQRSA-N 2 1 302.422 1.452 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001330345191 864258444 /nfs/dbraw/zinc/25/84/44/864258444.db2.gz FXVUWLXCGMDOAC-PHZGNYQRSA-N 2 1 302.422 1.452 20 30 DDEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998600 864296007 /nfs/dbraw/zinc/29/60/07/864296007.db2.gz ZHRMGOGDQHOTRK-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153998600 864296020 /nfs/dbraw/zinc/29/60/20/864296020.db2.gz ZHRMGOGDQHOTRK-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153998600 864296035 /nfs/dbraw/zinc/29/60/35/864296035.db2.gz ZHRMGOGDQHOTRK-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153998600 864296049 /nfs/dbraw/zinc/29/60/49/864296049.db2.gz ZHRMGOGDQHOTRK-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001330407130 864317343 /nfs/dbraw/zinc/31/73/43/864317343.db2.gz XTHPXDYKJCTECA-HOCLYGCPSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C(C)C)CCO1 ZINC001158385817 864617607 /nfs/dbraw/zinc/61/76/07/864617607.db2.gz ROMWNBPUOLOHMK-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001158385817 864617611 /nfs/dbraw/zinc/61/76/11/864617611.db2.gz ROMWNBPUOLOHMK-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001158385817 864617616 /nfs/dbraw/zinc/61/76/16/864617616.db2.gz ROMWNBPUOLOHMK-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001158385817 864617623 /nfs/dbraw/zinc/61/76/23/864617623.db2.gz ROMWNBPUOLOHMK-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001331016328 864778611 /nfs/dbraw/zinc/77/86/11/864778611.db2.gz MKNHUKVNDWYUAQ-QGZVFWFLSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001331724592 865274006 /nfs/dbraw/zinc/27/40/06/865274006.db2.gz GUSVQLZOTNLLDC-GOEBONIOSA-N 2 1 309.454 1.036 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnccc1C ZINC001160198161 865723402 /nfs/dbraw/zinc/72/34/02/865723402.db2.gz VEGCWSXSAZOQTO-KRWDZBQOSA-N 2 1 314.433 1.084 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnccc1C ZINC001160198161 865723406 /nfs/dbraw/zinc/72/34/06/865723406.db2.gz VEGCWSXSAZOQTO-KRWDZBQOSA-N 2 1 314.433 1.084 20 30 DDEDMP N#Cc1ccc2ncnc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)c2c1 ZINC001160512011 865895458 /nfs/dbraw/zinc/89/54/58/865895458.db2.gz RFYGRNBNXMNWKJ-KRWDZBQOSA-N 2 1 308.389 1.336 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593209 865963484 /nfs/dbraw/zinc/96/34/84/865963484.db2.gz LVRTXNNCZYUUGD-UHFFFAOYSA-N 2 1 315.461 1.777 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001332665647 866044895 /nfs/dbraw/zinc/04/48/95/866044895.db2.gz VJMWQGMQSOTVOE-HZPDHXFCSA-N 2 1 311.470 1.188 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CC ZINC001323147678 866382818 /nfs/dbraw/zinc/38/28/18/866382818.db2.gz HMWBIFPGJQHHOP-CVEARBPZSA-N 2 1 302.422 1.432 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001381503356 881970760 /nfs/dbraw/zinc/97/07/60/881970760.db2.gz RGCAHQZUCOPLGD-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001381503356 881970769 /nfs/dbraw/zinc/97/07/69/881970769.db2.gz RGCAHQZUCOPLGD-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001381503356 881970783 /nfs/dbraw/zinc/97/07/83/881970783.db2.gz RGCAHQZUCOPLGD-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698739 866904099 /nfs/dbraw/zinc/90/40/99/866904099.db2.gz BVRQMSLQUSXXCL-UHFFFAOYSA-N 2 1 309.454 1.279 20 30 DDEDMP CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CC#CCOC)C1 ZINC001321207595 867402638 /nfs/dbraw/zinc/40/26/38/867402638.db2.gz IBIOICBGKDSQFA-CHYADLBTSA-N 2 1 321.465 1.020 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001325137697 867808398 /nfs/dbraw/zinc/80/83/98/867808398.db2.gz HWZQKJNRUAYHEJ-SJLPKXTDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001325137697 867808408 /nfs/dbraw/zinc/80/84/08/867808408.db2.gz HWZQKJNRUAYHEJ-SJLPKXTDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001325137697 867808421 /nfs/dbraw/zinc/80/84/21/867808421.db2.gz HWZQKJNRUAYHEJ-SJLPKXTDSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001322668676 868313894 /nfs/dbraw/zinc/31/38/94/868313894.db2.gz RUHSNZBPETUDSI-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001325767180 868337061 /nfs/dbraw/zinc/33/70/61/868337061.db2.gz VTIDLWHXXPYFEY-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001325767180 868337079 /nfs/dbraw/zinc/33/70/79/868337079.db2.gz VTIDLWHXXPYFEY-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC)CC1 ZINC001165546050 869635978 /nfs/dbraw/zinc/63/59/78/869635978.db2.gz WHRRLRXXNZTTDI-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC)CC1 ZINC001165546050 869635984 /nfs/dbraw/zinc/63/59/84/869635984.db2.gz WHRRLRXXNZTTDI-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707004 870177975 /nfs/dbraw/zinc/17/79/75/870177975.db2.gz CAYLVTVKCKSNHC-OAHLLOKOSA-N 2 1 304.438 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137596 870340938 /nfs/dbraw/zinc/34/09/38/870340938.db2.gz NKIOKLOFMNKANE-AEFFLSMTSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137596 870340953 /nfs/dbraw/zinc/34/09/53/870340953.db2.gz NKIOKLOFMNKANE-AEFFLSMTSA-N 2 1 313.445 1.751 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203640469 870692491 /nfs/dbraw/zinc/69/24/91/870692491.db2.gz CGPOSIUUTVTKOE-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001317554248 871065586 /nfs/dbraw/zinc/06/55/86/871065586.db2.gz VCYGHPCFWXTCOR-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001317554248 871065602 /nfs/dbraw/zinc/06/56/02/871065602.db2.gz VCYGHPCFWXTCOR-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001317554248 871065618 /nfs/dbraw/zinc/06/56/18/871065618.db2.gz VCYGHPCFWXTCOR-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001317554248 871065628 /nfs/dbraw/zinc/06/56/28/871065628.db2.gz VCYGHPCFWXTCOR-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340820516 871371032 /nfs/dbraw/zinc/37/10/32/871371032.db2.gz GXLJRRSGFTWTBL-XHSDSOJGSA-N 2 1 311.470 1.676 20 30 DDEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001317684454 871404997 /nfs/dbraw/zinc/40/49/97/871404997.db2.gz XXCCVRCRCSEAIM-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC001341768076 871815855 /nfs/dbraw/zinc/81/58/55/871815855.db2.gz PCZBSEFOWOXEAG-CVEARBPZSA-N 2 1 317.433 1.852 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001318215784 871839186 /nfs/dbraw/zinc/83/91/86/871839186.db2.gz ITFIARISYDSYOV-PMPSAXMXSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410734 874120035 /nfs/dbraw/zinc/12/00/35/874120035.db2.gz DAVUHQNSVZIIJB-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410734 874120039 /nfs/dbraw/zinc/12/00/39/874120039.db2.gz DAVUHQNSVZIIJB-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(Br)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001378242425 874521341 /nfs/dbraw/zinc/52/13/41/874521341.db2.gz HIFMXYAIVVYQNK-NEPJUHHUSA-N 2 1 318.259 1.474 20 30 DDEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209202997 874727999 /nfs/dbraw/zinc/72/79/99/874727999.db2.gz KAFFWRCMIITNII-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCCC[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209202997 874728006 /nfs/dbraw/zinc/72/80/06/874728006.db2.gz KAFFWRCMIITNII-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCCC[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209202997 874728011 /nfs/dbraw/zinc/72/80/11/874728011.db2.gz KAFFWRCMIITNII-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCCC[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209202997 874728021 /nfs/dbraw/zinc/72/80/21/874728021.db2.gz KAFFWRCMIITNII-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366400 875773609 /nfs/dbraw/zinc/77/36/09/875773609.db2.gz BBZBYHWGNKPLEG-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594340 875990426 /nfs/dbraw/zinc/99/04/26/875990426.db2.gz ANGBRSOHOURIAQ-BZUAXINKSA-N 2 1 311.470 1.354 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594340 875990437 /nfs/dbraw/zinc/99/04/37/875990437.db2.gz ANGBRSOHOURIAQ-BZUAXINKSA-N 2 1 311.470 1.354 20 30 DDEDMP N#Cc1c(NC(=O)[C@@H]([NH3+])c2ccsc2)sc2c1CC[NH2+]C2 ZINC001218551234 877560567 /nfs/dbraw/zinc/56/05/67/877560567.db2.gz KDGPHBSFQICOCJ-LBPRGKRZSA-N 2 1 318.427 1.965 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219055099 877894989 /nfs/dbraw/zinc/89/49/89/877894989.db2.gz WKYWCJVLAOTZMY-YESZJQIVSA-N 2 1 323.481 1.593 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055099 877895004 /nfs/dbraw/zinc/89/50/04/877895004.db2.gz WKYWCJVLAOTZMY-YESZJQIVSA-N 2 1 323.481 1.593 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055099 877895018 /nfs/dbraw/zinc/89/50/18/877895018.db2.gz WKYWCJVLAOTZMY-YESZJQIVSA-N 2 1 323.481 1.593 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351816 878944556 /nfs/dbraw/zinc/94/45/56/878944556.db2.gz JNEYILPNVDCBTA-BBWFWOEESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351816 878944564 /nfs/dbraw/zinc/94/45/64/878944564.db2.gz JNEYILPNVDCBTA-BBWFWOEESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351816 878944568 /nfs/dbraw/zinc/94/45/68/878944568.db2.gz JNEYILPNVDCBTA-BBWFWOEESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001220478934 879048839 /nfs/dbraw/zinc/04/88/39/879048839.db2.gz QOERREGJXODVEN-IKGGRYGDSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001220478934 879048858 /nfs/dbraw/zinc/04/88/58/879048858.db2.gz QOERREGJXODVEN-IKGGRYGDSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001220478934 879048878 /nfs/dbraw/zinc/04/88/78/879048878.db2.gz QOERREGJXODVEN-IKGGRYGDSA-N 2 1 323.481 1.377 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811911 880103817 /nfs/dbraw/zinc/10/38/17/880103817.db2.gz OXIWVVTVAGSPEN-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221871801 880125403 /nfs/dbraw/zinc/12/54/03/880125403.db2.gz HUOMXBAIOGEJLV-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221871801 880125411 /nfs/dbraw/zinc/12/54/11/880125411.db2.gz HUOMXBAIOGEJLV-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001276831282 880587260 /nfs/dbraw/zinc/58/72/60/880587260.db2.gz VJOBANJWJALIAD-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001276831282 880587274 /nfs/dbraw/zinc/58/72/74/880587274.db2.gz VJOBANJWJALIAD-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001276831282 880587289 /nfs/dbraw/zinc/58/72/89/880587289.db2.gz VJOBANJWJALIAD-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001276931029 881145876 /nfs/dbraw/zinc/14/58/76/881145876.db2.gz JRQORDPSUJJDOE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001276931029 881145880 /nfs/dbraw/zinc/14/58/80/881145880.db2.gz JRQORDPSUJJDOE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368220 885563543 /nfs/dbraw/zinc/56/35/43/885563543.db2.gz JIXZKZOIZRBKOU-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368220 885563556 /nfs/dbraw/zinc/56/35/56/885563556.db2.gz JIXZKZOIZRBKOU-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231368220 885563573 /nfs/dbraw/zinc/56/35/73/885563573.db2.gz JIXZKZOIZRBKOU-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231368220 885563591 /nfs/dbraw/zinc/56/35/91/885563591.db2.gz JIXZKZOIZRBKOU-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C#N)CC3)cn2)CC1 ZINC001232366888 886309563 /nfs/dbraw/zinc/30/95/63/886309563.db2.gz RXXDPQXONIOZIL-INIZCTEOSA-N 2 1 313.449 1.959 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001277656058 886311777 /nfs/dbraw/zinc/31/17/77/886311777.db2.gz WFUSFCLDMVWHOT-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCCC[N@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001235276614 888521326 /nfs/dbraw/zinc/52/13/26/888521326.db2.gz TTYFWUVKRNTTNQ-ZIAGYGMSSA-N 2 1 318.339 1.417 20 30 DDEDMP C#CCCC[N@@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001235276614 888521333 /nfs/dbraw/zinc/52/13/33/888521333.db2.gz TTYFWUVKRNTTNQ-ZIAGYGMSSA-N 2 1 318.339 1.417 20 30 DDEDMP C#CCCC[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235276601 888523422 /nfs/dbraw/zinc/52/34/22/888523422.db2.gz TTYFWUVKRNTTNQ-KBPBESRZSA-N 2 1 318.339 1.417 20 30 DDEDMP C#CCCC[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235276601 888523430 /nfs/dbraw/zinc/52/34/30/888523430.db2.gz TTYFWUVKRNTTNQ-KBPBESRZSA-N 2 1 318.339 1.417 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277982838 889228965 /nfs/dbraw/zinc/22/89/65/889228965.db2.gz YDDQHAONSVMQRP-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278146233 889844467 /nfs/dbraw/zinc/84/44/67/889844467.db2.gz FBHINWVBPVCWPH-GOEBONIOSA-N 2 1 316.449 1.022 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278146233 889844481 /nfs/dbraw/zinc/84/44/81/889844481.db2.gz FBHINWVBPVCWPH-GOEBONIOSA-N 2 1 316.449 1.022 20 30 DDEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246314659 892535973 /nfs/dbraw/zinc/53/59/73/892535973.db2.gz YHRCKAYFHYNBPB-SOLBZPMBSA-N 3 1 323.481 1.725 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001366318918 893146994 /nfs/dbraw/zinc/14/69/94/893146994.db2.gz QUXPKQGXZZEOQZ-DOMZBBRYSA-N 2 1 320.462 1.698 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001278503260 893585508 /nfs/dbraw/zinc/58/55/08/893585508.db2.gz ACBVVNGLKISWFN-PKOBYXMFSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001278503260 893585523 /nfs/dbraw/zinc/58/55/23/893585523.db2.gz ACBVVNGLKISWFN-PKOBYXMFSA-N 2 1 317.477 1.712 20 30 DDEDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254644580 896546579 /nfs/dbraw/zinc/54/65/79/896546579.db2.gz ZIYYUFIRLIJMHW-UONOGXRCSA-N 2 1 322.453 1.997 20 30 DDEDMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001390525348 899604254 /nfs/dbraw/zinc/60/42/54/899604254.db2.gz YCGPYVKTEBFZTM-ZDUSSCGKSA-N 2 1 318.396 1.387 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001390696019 899961689 /nfs/dbraw/zinc/96/16/89/899961689.db2.gz UHNPLPPOYOLITO-OCCSQVGLSA-N 2 1 324.856 1.991 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264653330 901247995 /nfs/dbraw/zinc/24/79/95/901247995.db2.gz SNQRINNTYLTOKV-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001264653330 901248016 /nfs/dbraw/zinc/24/80/16/901248016.db2.gz SNQRINNTYLTOKV-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264685574 901284010 /nfs/dbraw/zinc/28/40/10/901284010.db2.gz LLDGNGZAWWJOHZ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001264970494 901357311 /nfs/dbraw/zinc/35/73/11/901357311.db2.gz RLEYNKUJCCQVJJ-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001264970494 901357317 /nfs/dbraw/zinc/35/73/17/901357317.db2.gz RLEYNKUJCCQVJJ-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001264970494 901357325 /nfs/dbraw/zinc/35/73/25/901357325.db2.gz RLEYNKUJCCQVJJ-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266059576 902861622 /nfs/dbraw/zinc/86/16/22/902861622.db2.gz KTXFBTNYCHVRMU-KBPBESRZSA-N 2 1 318.421 1.390 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001266222501 903141000 /nfs/dbraw/zinc/14/10/00/903141000.db2.gz CJHIEWCJFCPIPD-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1([NH+](C)C)CCC1)CO2 ZINC001280945624 904226727 /nfs/dbraw/zinc/22/67/27/904226727.db2.gz UCCZZBYKLAWKIS-OAHLLOKOSA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001281844939 905262434 /nfs/dbraw/zinc/26/24/34/905262434.db2.gz HFYBUXPQBTTZQO-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001281844939 905262452 /nfs/dbraw/zinc/26/24/52/905262452.db2.gz HFYBUXPQBTTZQO-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001281844939 905262468 /nfs/dbraw/zinc/26/24/68/905262468.db2.gz HFYBUXPQBTTZQO-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001375898133 917221622 /nfs/dbraw/zinc/22/16/22/917221622.db2.gz RXXLGXJZGRPTDL-ZBFHGGJFSA-N 2 1 313.873 1.909 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001376147437 917805714 /nfs/dbraw/zinc/80/57/14/917805714.db2.gz HIPXUMNZWVKDTK-INIZCTEOSA-N 2 1 300.406 1.200 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001376147437 917805724 /nfs/dbraw/zinc/80/57/24/917805724.db2.gz HIPXUMNZWVKDTK-INIZCTEOSA-N 2 1 300.406 1.200 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001376476228 918578119 /nfs/dbraw/zinc/57/81/19/918578119.db2.gz CPVUPXWEBISJOQ-OKILXGFUSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000068007840 353080298 /nfs/dbraw/zinc/08/02/98/353080298.db2.gz NTMFHMACIARYAJ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000595890106 356693657 /nfs/dbraw/zinc/69/36/57/356693657.db2.gz BRPWYJGYHMDUCD-KRWDZBQOSA-N 2 1 310.405 1.488 20 30 DDEDMP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596653486 356943377 /nfs/dbraw/zinc/94/33/77/356943377.db2.gz KZVCBSGRNGUOIX-OAHLLOKOSA-N 2 1 309.373 1.680 20 30 DDEDMP C[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C1=CC[N@@H+](C)CC1 ZINC000600733813 358300124 /nfs/dbraw/zinc/30/01/24/358300124.db2.gz FLNYPFUOPJVQRZ-PBHICJAKSA-N 2 1 315.417 1.538 20 30 DDEDMP Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000611519062 360744317 /nfs/dbraw/zinc/74/43/17/360744317.db2.gz ZJRVLFZBRXCLMX-HZPDHXFCSA-N 2 1 307.401 1.610 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439166 781944231 /nfs/dbraw/zinc/94/42/31/781944231.db2.gz FAYCEVDUCVTAGN-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120450066 781951138 /nfs/dbraw/zinc/95/11/38/781951138.db2.gz SBLQWQQAUREJKE-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)o1 ZINC000339655365 285249490 /nfs/dbraw/zinc/24/94/90/285249490.db2.gz MIVIFGNPSZZBNM-CQSZACIVSA-N 2 1 318.421 1.639 20 30 DDEDMP COC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000341895895 533363725 /nfs/dbraw/zinc/36/37/25/533363725.db2.gz MWIJZXWMNMTWSK-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP COC[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](COC)C2)C1 ZINC000341895895 533363728 /nfs/dbraw/zinc/36/37/28/533363728.db2.gz MWIJZXWMNMTWSK-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP COC[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](COC)C2)C1 ZINC000341895895 533363732 /nfs/dbraw/zinc/36/37/32/533363732.db2.gz MWIJZXWMNMTWSK-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP C=CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121269407 408173145 /nfs/dbraw/zinc/17/31/45/408173145.db2.gz UMLPEVGYFSDOBK-NVXWUHKLSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121269407 408173155 /nfs/dbraw/zinc/17/31/55/408173155.db2.gz UMLPEVGYFSDOBK-NVXWUHKLSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121269407 408173161 /nfs/dbraw/zinc/17/31/61/408173161.db2.gz UMLPEVGYFSDOBK-NVXWUHKLSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121269407 408173167 /nfs/dbraw/zinc/17/31/67/408173167.db2.gz UMLPEVGYFSDOBK-NVXWUHKLSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000358806322 410533594 /nfs/dbraw/zinc/53/35/94/410533594.db2.gz NAJDOPXFMLMYQL-HZPDHXFCSA-N 2 1 306.454 1.563 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291464 222195996 /nfs/dbraw/zinc/19/59/96/222195996.db2.gz HQHOPBONFHJBPA-GDBMZVCRSA-N 2 1 304.438 1.448 20 30 DDEDMP CC[NH+]=C(NCc1cc(C)no1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261982004 222265851 /nfs/dbraw/zinc/26/58/51/222265851.db2.gz PARPGZACTMDDJA-ABAIWWIYSA-N 2 1 305.426 1.521 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1cc(Cl)cn1C ZINC000262010074 222269762 /nfs/dbraw/zinc/26/97/62/222269762.db2.gz WLEHQVUDGRXXRF-UHFFFAOYSA-N 2 1 322.844 1.891 20 30 DDEDMP C[NH+]=C(NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)NC1CC1 ZINC000262303348 222275109 /nfs/dbraw/zinc/27/51/09/222275109.db2.gz LLGJWXLKLWPQQW-UHFFFAOYSA-N 2 1 319.453 1.831 20 30 DDEDMP Cc1nc(C[NH+]2CCC(CNC3=[NH+]CCN3C)CC2)cs1 ZINC000262659787 222288960 /nfs/dbraw/zinc/28/89/60/222288960.db2.gz MQJXCUJYUDBVAK-UHFFFAOYSA-N 2 1 307.467 1.555 20 30 DDEDMP C[NH+]=C(NCc1ccn(C)c1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262754640 222290795 /nfs/dbraw/zinc/29/07/95/222290795.db2.gz CXAXEYXAFRPPEM-OAHLLOKOSA-N 2 1 309.483 1.127 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC12CCSCC2 ZINC000263037257 222301049 /nfs/dbraw/zinc/30/10/49/222301049.db2.gz BXYHIZQKTSSIMO-UONOGXRCSA-N 2 1 310.511 1.908 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1OC ZINC000264069246 222312466 /nfs/dbraw/zinc/31/24/66/222312466.db2.gz CSKBQSSTOQOIIC-UKRRQHHQSA-N 2 1 320.437 1.117 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1F ZINC000264069273 222312820 /nfs/dbraw/zinc/31/28/20/222312820.db2.gz CTJFCAIDWZMIOY-DOMZBBRYSA-N 2 1 308.401 1.248 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N(C)C)nc1 ZINC000264073517 222314519 /nfs/dbraw/zinc/31/45/19/222314519.db2.gz DVBJXFVFAYUETB-AWEZNQCLSA-N 2 1 304.442 1.036 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn2ccc(C)cc2n1 ZINC000264101611 222318673 /nfs/dbraw/zinc/31/86/73/222318673.db2.gz OGOISVZXBYJWLN-OAHLLOKOSA-N 2 1 314.437 1.531 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000362769306 418759481 /nfs/dbraw/zinc/75/94/81/418759481.db2.gz KNJDXHRKYDNJFY-GVDBMIGSSA-N 2 1 307.482 1.999 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000365548337 418874653 /nfs/dbraw/zinc/87/46/53/418874653.db2.gz PLOVKJADOGKINR-BZSNNMDCSA-N 2 1 315.461 1.274 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000365180250 418842189 /nfs/dbraw/zinc/84/21/89/418842189.db2.gz DJNBEAKSUXPNKJ-MRXNPFEDSA-N 2 1 320.481 1.953 20 30 DDEDMP C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000519699965 421718272 /nfs/dbraw/zinc/71/82/72/421718272.db2.gz OKUMMRRDLOEXAV-PBHICJAKSA-N 2 1 315.417 1.538 20 30 DDEDMP C=CCOCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649861 422535274 /nfs/dbraw/zinc/53/52/74/422535274.db2.gz WIUOWRNOWNWEFJ-SFHVURJKSA-N 2 1 304.434 1.806 20 30 DDEDMP C=CCOCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649861 422535278 /nfs/dbraw/zinc/53/52/78/422535278.db2.gz WIUOWRNOWNWEFJ-SFHVURJKSA-N 2 1 304.434 1.806 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000063505808 263327279 /nfs/dbraw/zinc/32/72/79/263327279.db2.gz GWMUVUVMJTYJPF-UHFFFAOYSA-N 2 1 316.449 1.789 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660704231 424751110 /nfs/dbraw/zinc/75/11/10/424751110.db2.gz AOFLZZHMQDVKDU-HNNXBMFYSA-N 2 1 308.470 1.809 20 30 DDEDMP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285028300 276088828 /nfs/dbraw/zinc/08/88/28/276088828.db2.gz JRVHUKNFYGBHNG-DZGCQCFKSA-N 2 1 306.458 1.460 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377981067 289113555 /nfs/dbraw/zinc/11/35/55/289113555.db2.gz DQVABAJXTNEVIW-AWEZNQCLSA-N 2 1 303.410 1.454 20 30 DDEDMP COCCN(C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170459 308022853 /nfs/dbraw/zinc/02/28/53/308022853.db2.gz LARMQYOPDLAXQV-RHSMWYFYSA-N 2 1 305.422 1.490 20 30 DDEDMP COCCN(C)C[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170459 308022854 /nfs/dbraw/zinc/02/28/54/308022854.db2.gz LARMQYOPDLAXQV-RHSMWYFYSA-N 2 1 305.422 1.490 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000390881811 483982271 /nfs/dbraw/zinc/98/22/71/483982271.db2.gz FWXWSGFIHHOHAQ-RDJZCZTQSA-N 2 1 315.417 1.372 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000491623605 526811597 /nfs/dbraw/zinc/81/15/97/526811597.db2.gz GGNKJYAUTOFQND-UHFFFAOYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC)C[C@@H]3C2)CC1 ZINC000980252362 696719444 /nfs/dbraw/zinc/71/94/44/696719444.db2.gz IBZSWUZLEBHFIF-FGTMMUONSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972338606 695220883 /nfs/dbraw/zinc/22/08/83/695220883.db2.gz HOPRPTDAWIHPHF-YOEHRIQHSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972338606 695220884 /nfs/dbraw/zinc/22/08/84/695220884.db2.gz HOPRPTDAWIHPHF-YOEHRIQHSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972338606 695220885 /nfs/dbraw/zinc/22/08/85/695220885.db2.gz HOPRPTDAWIHPHF-YOEHRIQHSA-N 2 1 309.429 1.365 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972436731 695251212 /nfs/dbraw/zinc/25/12/12/695251212.db2.gz CSIJAMFCARILHQ-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972436731 695251213 /nfs/dbraw/zinc/25/12/13/695251213.db2.gz CSIJAMFCARILHQ-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972436731 695251214 /nfs/dbraw/zinc/25/12/14/695251214.db2.gz CSIJAMFCARILHQ-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974743008 695724115 /nfs/dbraw/zinc/72/41/15/695724115.db2.gz QCKJFODEZNQBEF-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974743008 695724117 /nfs/dbraw/zinc/72/41/17/695724117.db2.gz QCKJFODEZNQBEF-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974946265 695764281 /nfs/dbraw/zinc/76/42/81/695764281.db2.gz LKYSKHJBZUXYCT-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946265 695764282 /nfs/dbraw/zinc/76/42/82/695764282.db2.gz LKYSKHJBZUXYCT-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946265 695764285 /nfs/dbraw/zinc/76/42/85/695764285.db2.gz LKYSKHJBZUXYCT-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC=C)CC2(C)C)CC1 ZINC000977635253 696241388 /nfs/dbraw/zinc/24/13/88/696241388.db2.gz ABWULURZNZEAKZ-KRWDZBQOSA-N 2 1 317.477 1.734 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978626694 696427500 /nfs/dbraw/zinc/42/75/00/696427500.db2.gz HAGSICBBCLPPGA-KFGODFMUSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978626694 696427501 /nfs/dbraw/zinc/42/75/01/696427501.db2.gz HAGSICBBCLPPGA-KFGODFMUSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978626694 696427502 /nfs/dbraw/zinc/42/75/02/696427502.db2.gz HAGSICBBCLPPGA-KFGODFMUSA-N 2 1 319.493 1.977 20 30 DDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000104174683 696619284 /nfs/dbraw/zinc/61/92/84/696619284.db2.gz WYUMGAYWENJTDO-HOTGVXAUSA-N 2 1 309.502 1.307 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980176915 696700958 /nfs/dbraw/zinc/70/09/58/696700958.db2.gz MIONMQSSOMMQDL-GVDBMIGSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981811896 696926393 /nfs/dbraw/zinc/92/63/93/696926393.db2.gz AKNIGIWYLVSKLR-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959373 696985688 /nfs/dbraw/zinc/98/56/88/696985688.db2.gz MEHCDGBCGVZJOX-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959373 696985689 /nfs/dbraw/zinc/98/56/89/696985689.db2.gz MEHCDGBCGVZJOX-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185363 697028867 /nfs/dbraw/zinc/02/88/67/697028867.db2.gz UMKYTQKIOURXEF-STQMWFEESA-N 2 1 306.410 1.553 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235550 697068812 /nfs/dbraw/zinc/06/88/12/697068812.db2.gz VZGLGWFQFZJGHC-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982235550 697068815 /nfs/dbraw/zinc/06/88/15/697068815.db2.gz VZGLGWFQFZJGHC-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982235550 697068819 /nfs/dbraw/zinc/06/88/19/697068819.db2.gz VZGLGWFQFZJGHC-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553841 697149579 /nfs/dbraw/zinc/14/95/79/697149579.db2.gz QZNBIRZBNIZBEY-PBWTXFEYSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553841 697149580 /nfs/dbraw/zinc/14/95/80/697149580.db2.gz QZNBIRZBNIZBEY-PBWTXFEYSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553841 697149581 /nfs/dbraw/zinc/14/95/81/697149581.db2.gz QZNBIRZBNIZBEY-PBWTXFEYSA-N 2 1 317.477 1.378 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000986960190 697960325 /nfs/dbraw/zinc/96/03/25/697960325.db2.gz OMUHDDYGAPNUTG-DZGCQCFKSA-N 2 1 318.421 1.649 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC000987190913 698028435 /nfs/dbraw/zinc/02/84/35/698028435.db2.gz KVDHGQWWLULMDN-UONOGXRCSA-N 2 1 315.845 1.040 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(C#N)cc2F)C1 ZINC000779652457 698448673 /nfs/dbraw/zinc/44/86/73/698448673.db2.gz UBPLCPPEMGHBGF-HNNXBMFYSA-N 2 1 320.368 1.805 20 30 DDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(C#N)cc2F)C1 ZINC000779652457 698448675 /nfs/dbraw/zinc/44/86/75/698448675.db2.gz UBPLCPPEMGHBGF-HNNXBMFYSA-N 2 1 320.368 1.805 20 30 DDEDMP C[C@@H]1CN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000262465071 698470965 /nfs/dbraw/zinc/47/09/65/698470965.db2.gz NNURRVGODLZOPR-KGLIPLIRSA-N 2 1 322.478 1.920 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990616818 699109989 /nfs/dbraw/zinc/10/99/89/699109989.db2.gz SSQSWRMBBQLFEO-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990616818 699109991 /nfs/dbraw/zinc/10/99/91/699109991.db2.gz SSQSWRMBBQLFEO-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990616818 699109993 /nfs/dbraw/zinc/10/99/93/699109993.db2.gz SSQSWRMBBQLFEO-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990690304 699133526 /nfs/dbraw/zinc/13/35/26/699133526.db2.gz STVPZXOYIVVHLS-SOLBZPMBSA-N 2 1 303.450 1.627 20 30 DDEDMP CC(C)[NH+]1CCC(N2CC[NH+](CCO[C@H](C)C#N)CC2)CC1 ZINC000801935119 700356628 /nfs/dbraw/zinc/35/66/28/700356628.db2.gz WEXDGZBNHKPDGJ-MRXNPFEDSA-N 2 1 308.470 1.405 20 30 DDEDMP CCCNC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771550364 701323159 /nfs/dbraw/zinc/32/31/59/701323159.db2.gz PTYDDSGGJVMDFW-UHFFFAOYSA-N 2 1 319.478 1.646 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000867959142 701854096 /nfs/dbraw/zinc/85/40/96/701854096.db2.gz PNWDWZDHAAFGFW-BQFCYCMXSA-N 2 1 324.428 1.488 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000879578065 706725461 /nfs/dbraw/zinc/72/54/61/706725461.db2.gz AQDAMHLPQLBQON-OWCLPIDISA-N 2 1 307.438 1.084 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000879578065 706725462 /nfs/dbraw/zinc/72/54/62/706725462.db2.gz AQDAMHLPQLBQON-OWCLPIDISA-N 2 1 307.438 1.084 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000879578065 706725465 /nfs/dbraw/zinc/72/54/65/706725465.db2.gz AQDAMHLPQLBQON-OWCLPIDISA-N 2 1 307.438 1.084 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000879578065 706725468 /nfs/dbraw/zinc/72/54/68/706725468.db2.gz AQDAMHLPQLBQON-OWCLPIDISA-N 2 1 307.438 1.084 20 30 DDEDMP CC1(C)C[C@H](O)C[NH+](CC#CC[N@@H+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879623468 706742299 /nfs/dbraw/zinc/74/22/99/706742299.db2.gz WKLDLEDKYRFDGM-HOTGVXAUSA-N 2 1 308.466 1.175 20 30 DDEDMP C=C(C)CONC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848244099 703531285 /nfs/dbraw/zinc/53/12/85/703531285.db2.gz BQDKFTTWMJFOAM-UHFFFAOYSA-N 2 1 309.454 1.807 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000852862081 704152021 /nfs/dbraw/zinc/15/20/21/704152021.db2.gz SAZAWYIOSYYNJV-UHFFFAOYSA-N 2 1 317.458 1.225 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)NCC[N@H+]1CCc2sccc2C1 ZINC000852862081 704152023 /nfs/dbraw/zinc/15/20/23/704152023.db2.gz SAZAWYIOSYYNJV-UHFFFAOYSA-N 2 1 317.458 1.225 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000871188028 704240936 /nfs/dbraw/zinc/24/09/36/704240936.db2.gz KFAUNQPNVYKLRV-KRWDZBQOSA-N 2 1 301.434 1.803 20 30 DDEDMP C#C[C@H](CC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000854073236 704353337 /nfs/dbraw/zinc/35/33/37/704353337.db2.gz SSZRHDBAAGLWEI-HZPDHXFCSA-N 2 1 308.470 1.456 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000863553248 705955872 /nfs/dbraw/zinc/95/58/72/705955872.db2.gz XXRVXEMSVXWMID-HOTGVXAUSA-N 2 1 307.438 1.274 20 30 DDEDMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1)C(C)C ZINC000834495326 707070675 /nfs/dbraw/zinc/07/06/75/707070675.db2.gz UCZSZNRDIZOIOF-IRXDYDNUSA-N 2 1 314.433 1.758 20 30 DDEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834494822 707070716 /nfs/dbraw/zinc/07/07/16/707070716.db2.gz PSLNGHWBFODRHF-IAGOWNOFSA-N 2 1 314.433 1.760 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000884022468 708106142 /nfs/dbraw/zinc/10/61/42/708106142.db2.gz IHZRBENGDRFKJC-INIZCTEOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000884022468 708106145 /nfs/dbraw/zinc/10/61/45/708106145.db2.gz IHZRBENGDRFKJC-INIZCTEOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](CCC)C2)C1 ZINC000884203260 708187697 /nfs/dbraw/zinc/18/76/97/708187697.db2.gz RVJKFKNIHDIXRD-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCC)C2)C1 ZINC000884203260 708187692 /nfs/dbraw/zinc/18/76/92/708187692.db2.gz RVJKFKNIHDIXRD-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000884203260 708187693 /nfs/dbraw/zinc/18/76/93/708187693.db2.gz RVJKFKNIHDIXRD-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCC)C2)C1 ZINC000884203260 708187695 /nfs/dbraw/zinc/18/76/95/708187695.db2.gz RVJKFKNIHDIXRD-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](CCC)C2)C1 ZINC000884203260 708187699 /nfs/dbraw/zinc/18/76/99/708187699.db2.gz RVJKFKNIHDIXRD-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000886582535 708782015 /nfs/dbraw/zinc/78/20/15/708782015.db2.gz YLXGUDWFUXMLJO-XHSDSOJGSA-N 2 1 305.466 1.804 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928003950 713101184 /nfs/dbraw/zinc/10/11/84/713101184.db2.gz AZXXIDNLMXFWPP-HFCFLWKCSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000928003950 713101186 /nfs/dbraw/zinc/10/11/86/713101186.db2.gz AZXXIDNLMXFWPP-HFCFLWKCSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000890368085 709840301 /nfs/dbraw/zinc/84/03/01/709840301.db2.gz BJUOGHDTWMMNCD-MRXNPFEDSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000890368085 709840304 /nfs/dbraw/zinc/84/03/04/709840304.db2.gz BJUOGHDTWMMNCD-MRXNPFEDSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000894863381 711300673 /nfs/dbraw/zinc/30/06/73/711300673.db2.gz ARHZPZRTOGKTDH-YJBOKZPZSA-N 2 1 321.465 1.788 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000894863381 711300676 /nfs/dbraw/zinc/30/06/76/711300676.db2.gz ARHZPZRTOGKTDH-YJBOKZPZSA-N 2 1 321.465 1.788 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000907689131 712614090 /nfs/dbraw/zinc/61/40/90/712614090.db2.gz OSKKILZXHORANZ-UHFFFAOYSA-N 2 1 305.426 1.013 20 30 DDEDMP C#CCN(C(=O)NCC[N@H+](C)CCCC)C1CC[NH+](C)CC1 ZINC000918217773 713534525 /nfs/dbraw/zinc/53/45/25/713534525.db2.gz WEAPRRDBIVDPSM-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](CC)CCC)CC1 ZINC000922547790 714085419 /nfs/dbraw/zinc/08/54/19/714085419.db2.gz XFWWTSCSVZOAPE-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923491052 714375150 /nfs/dbraw/zinc/37/51/50/714375150.db2.gz HASJJEZCDWVWDB-VNQPRFMTSA-N 2 1 303.406 1.215 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000923573623 714412346 /nfs/dbraw/zinc/41/23/46/714412346.db2.gz RKIHOWISFPVKGR-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000923573623 714412348 /nfs/dbraw/zinc/41/23/48/714412348.db2.gz RKIHOWISFPVKGR-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000923573623 714412351 /nfs/dbraw/zinc/41/23/51/714412351.db2.gz RKIHOWISFPVKGR-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000923573623 714412354 /nfs/dbraw/zinc/41/23/54/714412354.db2.gz RKIHOWISFPVKGR-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000923573623 714412355 /nfs/dbraw/zinc/41/23/55/714412355.db2.gz RKIHOWISFPVKGR-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966167749 717993333 /nfs/dbraw/zinc/99/33/33/717993333.db2.gz PQEGLHLNBMGREU-ZBFHGGJFSA-N 2 1 319.453 1.071 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961464317 716957318 /nfs/dbraw/zinc/95/73/18/716957318.db2.gz NYCXEWJMCAYEIK-ZSHCYNCHSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801731 716967438 /nfs/dbraw/zinc/96/74/38/716967438.db2.gz YJCLPFKOGWKFJJ-LSDHHAIUSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801731 716967441 /nfs/dbraw/zinc/96/74/41/716967441.db2.gz YJCLPFKOGWKFJJ-LSDHHAIUSA-N 2 1 314.433 1.610 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000961568843 717008663 /nfs/dbraw/zinc/00/86/63/717008663.db2.gz WCCMHGZNJFQVOY-MWDXBVQZSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961568843 717008664 /nfs/dbraw/zinc/00/86/64/717008664.db2.gz WCCMHGZNJFQVOY-MWDXBVQZSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961568843 717008666 /nfs/dbraw/zinc/00/86/66/717008666.db2.gz WCCMHGZNJFQVOY-MWDXBVQZSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCF)CC2(C)C)CC1 ZINC000941236999 717136425 /nfs/dbraw/zinc/13/64/25/717136425.db2.gz FLCBPLWUEPRFPV-INIZCTEOSA-N 2 1 323.456 1.518 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000965095455 717534676 /nfs/dbraw/zinc/53/46/76/717534676.db2.gz WUDVXXREEJWSOQ-XZZVAGQJSA-N 2 1 305.466 1.777 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963391113 717773319 /nfs/dbraw/zinc/77/33/19/717773319.db2.gz QQEVSGHRXHXFNE-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000963420674 717783424 /nfs/dbraw/zinc/78/34/24/717783424.db2.gz LMYPDNUJEMOHDD-UYSNPLJNSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943771285 718186812 /nfs/dbraw/zinc/18/68/12/718186812.db2.gz GBMPFFMCCIDWNG-YOEHRIQHSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943771285 718186813 /nfs/dbraw/zinc/18/68/13/718186813.db2.gz GBMPFFMCCIDWNG-YOEHRIQHSA-N 2 1 323.400 1.341 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169736 718265301 /nfs/dbraw/zinc/26/53/01/718265301.db2.gz QXOIEGKFNMLJPE-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000945177742 718414543 /nfs/dbraw/zinc/41/45/43/718414543.db2.gz CDBDXDUQFZTUIG-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645333 718864803 /nfs/dbraw/zinc/86/48/03/718864803.db2.gz RQVNXFLJYYBFEC-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645333 718864808 /nfs/dbraw/zinc/86/48/08/718864808.db2.gz RQVNXFLJYYBFEC-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645333 718864811 /nfs/dbraw/zinc/86/48/11/718864811.db2.gz RQVNXFLJYYBFEC-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396212 718867375 /nfs/dbraw/zinc/86/73/75/718867375.db2.gz BPARMUWJQRBATF-YOEHRIQHSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779285 718905954 /nfs/dbraw/zinc/90/59/54/718905954.db2.gz MORJLVLHGCZQSZ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779285 718905956 /nfs/dbraw/zinc/90/59/56/718905956.db2.gz MORJLVLHGCZQSZ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779285 718905958 /nfs/dbraw/zinc/90/59/58/718905958.db2.gz MORJLVLHGCZQSZ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947852013 719290147 /nfs/dbraw/zinc/29/01/47/719290147.db2.gz DNKZSLIQGYEZNS-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948765793 719694934 /nfs/dbraw/zinc/69/49/34/719694934.db2.gz CUXRDZOCPQEHKD-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948765793 719694935 /nfs/dbraw/zinc/69/49/35/719694935.db2.gz CUXRDZOCPQEHKD-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948765793 719694936 /nfs/dbraw/zinc/69/49/36/719694936.db2.gz CUXRDZOCPQEHKD-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001112516964 735352724 /nfs/dbraw/zinc/35/27/24/735352724.db2.gz LQDIODQYBAEUOA-DWRORGKVSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001206794947 732492315 /nfs/dbraw/zinc/49/23/15/732492315.db2.gz WCZGEBSVRGFAOR-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737526 733497744 /nfs/dbraw/zinc/49/77/44/733497744.db2.gz VDXPZOUXSGQISM-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599392 734828128 /nfs/dbraw/zinc/82/81/28/734828128.db2.gz UKLBRMCCXUGEEU-CGZBRXJRSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413217 735218874 /nfs/dbraw/zinc/21/88/74/735218874.db2.gz BTKZJCTURIMFPX-CABCVRRESA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413217 735218876 /nfs/dbraw/zinc/21/88/76/735218876.db2.gz BTKZJCTURIMFPX-CABCVRRESA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001023423604 735224547 /nfs/dbraw/zinc/22/45/47/735224547.db2.gz ANVDDKSSQMEFCV-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001023423604 735224551 /nfs/dbraw/zinc/22/45/51/735224551.db2.gz ANVDDKSSQMEFCV-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(=C)C)C1 ZINC001023423604 735224556 /nfs/dbraw/zinc/22/45/56/735224556.db2.gz ANVDDKSSQMEFCV-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(=C)C)C1 ZINC001023423604 735224559 /nfs/dbraw/zinc/22/45/59/735224559.db2.gz ANVDDKSSQMEFCV-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763086 736074944 /nfs/dbraw/zinc/07/49/44/736074944.db2.gz ZHKCSWGGQIAWES-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763086 736074948 /nfs/dbraw/zinc/07/49/48/736074948.db2.gz ZHKCSWGGQIAWES-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472176 736705502 /nfs/dbraw/zinc/70/55/02/736705502.db2.gz NWBKIJXINOQJGU-GDBMZVCRSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753551 737113978 /nfs/dbraw/zinc/11/39/78/737113978.db2.gz GKXCEZCNKAVNFZ-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001026314946 737336804 /nfs/dbraw/zinc/33/68/04/737336804.db2.gz JTADOWMWJDEJRQ-SOUVJXGZSA-N 2 1 322.840 1.771 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042289022 737421115 /nfs/dbraw/zinc/42/11/15/737421115.db2.gz XOLOKQCJKCBWTH-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212823 741108936 /nfs/dbraw/zinc/10/89/36/741108936.db2.gz SKURONRRGNQDMD-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212594 741109085 /nfs/dbraw/zinc/10/90/85/741109085.db2.gz BISAEIDEAOGRED-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212594 741109087 /nfs/dbraw/zinc/10/90/87/741109087.db2.gz BISAEIDEAOGRED-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001008486849 737676969 /nfs/dbraw/zinc/67/69/69/737676969.db2.gz JUXUHKTXVYIQIW-ZIAGYGMSSA-N 2 1 302.422 1.986 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442339 738299260 /nfs/dbraw/zinc/29/92/60/738299260.db2.gz DMPCFWPRTZXDBP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442339 738299264 /nfs/dbraw/zinc/29/92/64/738299264.db2.gz DMPCFWPRTZXDBP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442339 738299268 /nfs/dbraw/zinc/29/92/68/738299268.db2.gz DMPCFWPRTZXDBP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137825 739079729 /nfs/dbraw/zinc/07/97/29/739079729.db2.gz NFBVGFYNHYPUQF-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137825 739079733 /nfs/dbraw/zinc/07/97/33/739079733.db2.gz NFBVGFYNHYPUQF-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997949830 751415434 /nfs/dbraw/zinc/41/54/34/751415434.db2.gz PGYURLYRCTZBMR-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997949830 751415437 /nfs/dbraw/zinc/41/54/37/751415437.db2.gz PGYURLYRCTZBMR-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997949830 751415438 /nfs/dbraw/zinc/41/54/38/751415438.db2.gz PGYURLYRCTZBMR-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001028903290 740158411 /nfs/dbraw/zinc/15/84/11/740158411.db2.gz QRRVWWSZBZXYJE-INIZCTEOSA-N 2 1 322.412 1.947 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993656 740934258 /nfs/dbraw/zinc/93/42/58/740934258.db2.gz XBTDMWZVAFBOGP-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001088430081 741488595 /nfs/dbraw/zinc/48/85/95/741488595.db2.gz HGWMYSHHKGZZTN-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H]1C ZINC001088632002 742029207 /nfs/dbraw/zinc/02/92/07/742029207.db2.gz QZWCERYTNXORQL-IKGGRYGDSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577462 742124551 /nfs/dbraw/zinc/12/45/51/742124551.db2.gz VAFJEZJMXBAFDZ-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076179685 742588130 /nfs/dbraw/zinc/58/81/30/742588130.db2.gz UMIBIIUYYVNHCD-YQQAZPJKSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076179685 742588132 /nfs/dbraw/zinc/58/81/32/742588132.db2.gz UMIBIIUYYVNHCD-YQQAZPJKSA-N 2 1 314.433 1.473 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C)C1 ZINC001181764110 743333575 /nfs/dbraw/zinc/33/35/75/743333575.db2.gz LFBAWJYPUHOSEY-SOLBZPMBSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC=C)C1 ZINC001181764110 743333583 /nfs/dbraw/zinc/33/35/83/743333583.db2.gz LFBAWJYPUHOSEY-SOLBZPMBSA-N 2 1 303.450 1.344 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001181736382 743335682 /nfs/dbraw/zinc/33/56/82/743335682.db2.gz OZTNIVDQGFUHIS-CRAIPNDOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001016335570 743480020 /nfs/dbraw/zinc/48/00/20/743480020.db2.gz DXPRLUSXTQYALP-HTWSVDAQSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614778 743682949 /nfs/dbraw/zinc/68/29/49/743682949.db2.gz QMXXDUKPEUCNGZ-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182693576 743699237 /nfs/dbraw/zinc/69/92/37/743699237.db2.gz XMLFAJTTWKNJHR-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183399475 743831938 /nfs/dbraw/zinc/83/19/38/743831938.db2.gz XHUHGVFTTNMRKL-IVMMDQJWSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183399476 743832201 /nfs/dbraw/zinc/83/22/01/743832201.db2.gz XHUHGVFTTNMRKL-XNRPHZJLSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184331290 744023686 /nfs/dbraw/zinc/02/36/86/744023686.db2.gz PNCQVLZZGXGAOZ-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035795617 751884159 /nfs/dbraw/zinc/88/41/59/751884159.db2.gz WYYKSAKYHWHPQS-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035798836 751886644 /nfs/dbraw/zinc/88/66/44/751886644.db2.gz QCWCVVYPBNNVHU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168874 744169922 /nfs/dbraw/zinc/16/99/22/744169922.db2.gz JXYGRLKRYQPZKI-HOTGVXAUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185681910 744266559 /nfs/dbraw/zinc/26/65/59/744266559.db2.gz NILPSMQACJSYFL-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109992 744820523 /nfs/dbraw/zinc/82/05/23/744820523.db2.gz IFDOUNFAINRQGE-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992365628 744825891 /nfs/dbraw/zinc/82/58/91/744825891.db2.gz CUYTYIPBURBSDO-PKOBYXMFSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC001035855440 751952725 /nfs/dbraw/zinc/95/27/25/751952725.db2.gz MSNZPVYLZZDHTJ-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035855440 751952732 /nfs/dbraw/zinc/95/27/32/751952732.db2.gz MSNZPVYLZZDHTJ-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189453104 744901636 /nfs/dbraw/zinc/90/16/36/744901636.db2.gz DFIGIHBQNHWFGB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453104 744901637 /nfs/dbraw/zinc/90/16/37/744901637.db2.gz DFIGIHBQNHWFGB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001189453104 744901639 /nfs/dbraw/zinc/90/16/39/744901639.db2.gz DFIGIHBQNHWFGB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149274 745125963 /nfs/dbraw/zinc/12/59/63/745125963.db2.gz CEOKSWRDASCLBF-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015306869 745182387 /nfs/dbraw/zinc/18/23/87/745182387.db2.gz MCGTUPYHOOIEFZ-CQSZACIVSA-N 2 1 302.422 1.529 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015306869 745182390 /nfs/dbraw/zinc/18/23/90/745182390.db2.gz MCGTUPYHOOIEFZ-CQSZACIVSA-N 2 1 302.422 1.529 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC000992772475 745187268 /nfs/dbraw/zinc/18/72/68/745187268.db2.gz OYVNYNYJRMSXSC-OWCLPIDISA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC000992849058 745246352 /nfs/dbraw/zinc/24/63/52/745246352.db2.gz DATDALDNTJKDKG-RRFJBIMHSA-N 2 1 314.433 1.537 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190656357 745287143 /nfs/dbraw/zinc/28/71/43/745287143.db2.gz SJASUVNFVBKNJH-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190656357 745287148 /nfs/dbraw/zinc/28/71/48/745287148.db2.gz SJASUVNFVBKNJH-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190656357 745287153 /nfs/dbraw/zinc/28/71/53/745287153.db2.gz SJASUVNFVBKNJH-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001192342432 745759208 /nfs/dbraw/zinc/75/92/08/745759208.db2.gz DYLSQMHNCPBXED-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342432 745759211 /nfs/dbraw/zinc/75/92/11/745759211.db2.gz DYLSQMHNCPBXED-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342432 745759214 /nfs/dbraw/zinc/75/92/14/745759214.db2.gz DYLSQMHNCPBXED-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577303 745807347 /nfs/dbraw/zinc/80/73/47/745807347.db2.gz GSMGHJBGCHCZOC-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577303 745807351 /nfs/dbraw/zinc/80/73/51/745807351.db2.gz GSMGHJBGCHCZOC-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192918011 745928257 /nfs/dbraw/zinc/92/82/57/745928257.db2.gz VHBHSEVXLNPLJV-DLBZAZTESA-N 2 1 307.482 1.909 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106772350 746054345 /nfs/dbraw/zinc/05/43/45/746054345.db2.gz MDQHZTFENGIEOV-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003222521 747061918 /nfs/dbraw/zinc/06/19/18/747061918.db2.gz YZXOEHUTBKYIAJ-UHFFFAOYSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089539532 747172315 /nfs/dbraw/zinc/17/23/15/747172315.db2.gz LVQMDPGBYDOTPB-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089621322 747484687 /nfs/dbraw/zinc/48/46/87/747484687.db2.gz QVBXTHLGQUCAAA-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089621322 747484689 /nfs/dbraw/zinc/48/46/89/747484689.db2.gz QVBXTHLGQUCAAA-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089621322 747484691 /nfs/dbraw/zinc/48/46/91/747484691.db2.gz QVBXTHLGQUCAAA-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089621322 747484694 /nfs/dbraw/zinc/48/46/94/747484694.db2.gz QVBXTHLGQUCAAA-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730734 747587917 /nfs/dbraw/zinc/58/79/17/747587917.db2.gz WUPRBWDFGBIQHM-KRWDZBQOSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001200508065 748262048 /nfs/dbraw/zinc/26/20/48/748262048.db2.gz VJZOVWGLUJZFGE-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036205853 752258815 /nfs/dbraw/zinc/25/88/15/752258815.db2.gz YPUJKJKZNFCBDB-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720899 748328070 /nfs/dbraw/zinc/32/80/70/748328070.db2.gz DYLUVKUMQDOUFD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004369951 748372431 /nfs/dbraw/zinc/37/24/31/748372431.db2.gz GQTBNHRDPYDMQL-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004369951 748372437 /nfs/dbraw/zinc/37/24/37/748372437.db2.gz GQTBNHRDPYDMQL-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004369951 748372442 /nfs/dbraw/zinc/37/24/42/748372442.db2.gz GQTBNHRDPYDMQL-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004541019 748532045 /nfs/dbraw/zinc/53/20/45/748532045.db2.gz WMZZVAYTRYKEGM-ZWKOTPCHSA-N 2 1 319.493 1.909 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099554475 748692922 /nfs/dbraw/zinc/69/29/22/748692922.db2.gz ZKHYIDZKBGBROY-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033203803 748906566 /nfs/dbraw/zinc/90/65/66/748906566.db2.gz SZEOGXUDGQTRSX-GDBMZVCRSA-N 2 1 302.422 1.554 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114362070 749113548 /nfs/dbraw/zinc/11/35/48/749113548.db2.gz ZDTFUQQMQFFNCI-XUWVNRHRSA-N 2 1 311.445 1.679 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108322922 761932122 /nfs/dbraw/zinc/93/21/22/761932122.db2.gz FGYXSNWTXBWAQP-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108322922 761932127 /nfs/dbraw/zinc/93/21/27/761932127.db2.gz FGYXSNWTXBWAQP-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108322922 761932133 /nfs/dbraw/zinc/93/21/33/761932133.db2.gz FGYXSNWTXBWAQP-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366364 749254881 /nfs/dbraw/zinc/25/48/81/749254881.db2.gz QJQHOARSNVGNIM-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366364 749254886 /nfs/dbraw/zinc/25/48/86/749254886.db2.gz QJQHOARSNVGNIM-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033414773 749312741 /nfs/dbraw/zinc/31/27/41/749312741.db2.gz FBVBNSIGVOBBTO-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033414773 749312750 /nfs/dbraw/zinc/31/27/50/749312750.db2.gz FBVBNSIGVOBBTO-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033414773 749312758 /nfs/dbraw/zinc/31/27/58/749312758.db2.gz FBVBNSIGVOBBTO-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108355302 761974454 /nfs/dbraw/zinc/97/44/54/761974454.db2.gz YXOGZZAEKXYQPI-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108355302 761974456 /nfs/dbraw/zinc/97/44/56/761974456.db2.gz YXOGZZAEKXYQPI-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108355302 761974458 /nfs/dbraw/zinc/97/44/58/761974458.db2.gz YXOGZZAEKXYQPI-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108355302 761974463 /nfs/dbraw/zinc/97/44/63/761974463.db2.gz YXOGZZAEKXYQPI-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424094 749885040 /nfs/dbraw/zinc/88/50/40/749885040.db2.gz FMVNKSVNJUQWQV-QZWWFDLISA-N 2 1 303.450 1.626 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825693 749935749 /nfs/dbraw/zinc/93/57/49/749935749.db2.gz HEMWJIRGHABPMO-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825693 749935750 /nfs/dbraw/zinc/93/57/50/749935750.db2.gz HEMWJIRGHABPMO-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825693 749935753 /nfs/dbraw/zinc/93/57/53/749935753.db2.gz HEMWJIRGHABPMO-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825693 749935757 /nfs/dbraw/zinc/93/57/57/749935757.db2.gz HEMWJIRGHABPMO-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005391614 749960698 /nfs/dbraw/zinc/96/06/98/749960698.db2.gz SISWXJCJPGEVCX-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442713 749963361 /nfs/dbraw/zinc/96/33/61/749963361.db2.gz LTOUNYVGOXCVAD-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442713 749963366 /nfs/dbraw/zinc/96/33/66/749963366.db2.gz LTOUNYVGOXCVAD-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442713 749963368 /nfs/dbraw/zinc/96/33/68/749963368.db2.gz LTOUNYVGOXCVAD-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547562 750119091 /nfs/dbraw/zinc/11/90/91/750119091.db2.gz RLRPJZLGVKJFHZ-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547562 750119094 /nfs/dbraw/zinc/11/90/94/750119094.db2.gz RLRPJZLGVKJFHZ-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107547562 750119100 /nfs/dbraw/zinc/11/91/00/750119100.db2.gz RLRPJZLGVKJFHZ-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039447809 762039821 /nfs/dbraw/zinc/03/98/21/762039821.db2.gz KXYPJYVNHJFOQZ-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001032493170 751054208 /nfs/dbraw/zinc/05/42/08/751054208.db2.gz OMSDIBOSUNTHOV-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001032493170 751054214 /nfs/dbraw/zinc/05/42/14/751054214.db2.gz OMSDIBOSUNTHOV-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032493170 751054221 /nfs/dbraw/zinc/05/42/21/751054221.db2.gz OMSDIBOSUNTHOV-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032493170 751054228 /nfs/dbraw/zinc/05/42/28/751054228.db2.gz OMSDIBOSUNTHOV-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997531132 751069738 /nfs/dbraw/zinc/06/97/38/751069738.db2.gz NJOGFKJSPAMFGU-GOEBONIOSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997531132 751069746 /nfs/dbraw/zinc/06/97/46/751069746.db2.gz NJOGFKJSPAMFGU-GOEBONIOSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114975819 751077965 /nfs/dbraw/zinc/07/79/65/751077965.db2.gz QWLWGLVBOIJISD-VQFNDLOPSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114975819 751077969 /nfs/dbraw/zinc/07/79/69/751077969.db2.gz QWLWGLVBOIJISD-VQFNDLOPSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035226693 751304506 /nfs/dbraw/zinc/30/45/06/751304506.db2.gz KJPPEQHSFCRYNE-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035226693 751304512 /nfs/dbraw/zinc/30/45/12/751304512.db2.gz KJPPEQHSFCRYNE-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035226693 751304518 /nfs/dbraw/zinc/30/45/18/751304518.db2.gz KJPPEQHSFCRYNE-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108421604 762136754 /nfs/dbraw/zinc/13/67/54/762136754.db2.gz QCWGXNSLQUYBPU-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421604 762136756 /nfs/dbraw/zinc/13/67/56/762136756.db2.gz QCWGXNSLQUYBPU-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421604 762136761 /nfs/dbraw/zinc/13/67/61/762136761.db2.gz QCWGXNSLQUYBPU-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001009628587 753288700 /nfs/dbraw/zinc/28/87/00/753288700.db2.gz QERWYJCMJJXUCM-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001751027 754482116 /nfs/dbraw/zinc/48/21/16/754482116.db2.gz GSCUQEJHFHURJG-QGZVFWFLSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001765516 754500829 /nfs/dbraw/zinc/50/08/29/754500829.db2.gz MIBKPDPQSPYXEB-INIZCTEOSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844820 755606650 /nfs/dbraw/zinc/60/66/50/755606650.db2.gz CYGXVQHQUMZYHJ-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844820 755606653 /nfs/dbraw/zinc/60/66/53/755606653.db2.gz CYGXVQHQUMZYHJ-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844820 755606655 /nfs/dbraw/zinc/60/66/55/755606655.db2.gz CYGXVQHQUMZYHJ-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188701 755756170 /nfs/dbraw/zinc/75/61/70/755756170.db2.gz QDDRVHHEGAWZDK-DJIMGWMZSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001081146243 756221063 /nfs/dbraw/zinc/22/10/63/756221063.db2.gz BAIKOXYXFYFXCD-ZWKOTPCHSA-N 2 1 322.412 1.409 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242680 762454855 /nfs/dbraw/zinc/45/48/55/762454855.db2.gz ZIOLTHPMIURRNF-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621706 756421058 /nfs/dbraw/zinc/42/10/58/756421058.db2.gz JPMVYUUPRBNTTH-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621706 756421063 /nfs/dbraw/zinc/42/10/63/756421063.db2.gz JPMVYUUPRBNTTH-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705202 756480503 /nfs/dbraw/zinc/48/05/03/756480503.db2.gz JAYXTKUFVBWGFL-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705202 756480504 /nfs/dbraw/zinc/48/05/04/756480504.db2.gz JAYXTKUFVBWGFL-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164538870 756767990 /nfs/dbraw/zinc/76/79/90/756767990.db2.gz ODGKPZROIAZAAW-HOTGVXAUSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001082558261 756853036 /nfs/dbraw/zinc/85/30/36/756853036.db2.gz HOPHZVTZBFNBRK-OIISXLGYSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001097176988 756949303 /nfs/dbraw/zinc/94/93/03/756949303.db2.gz DUBSOPOKPQTNLQ-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001097176988 756949305 /nfs/dbraw/zinc/94/93/05/756949305.db2.gz DUBSOPOKPQTNLQ-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001097176988 756949309 /nfs/dbraw/zinc/94/93/09/756949309.db2.gz DUBSOPOKPQTNLQ-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110588 757116620 /nfs/dbraw/zinc/11/66/20/757116620.db2.gz KVOYUABRMFETKH-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110588 757116626 /nfs/dbraw/zinc/11/66/26/757116626.db2.gz KVOYUABRMFETKH-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110588 757116631 /nfs/dbraw/zinc/11/66/31/757116631.db2.gz KVOYUABRMFETKH-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC=C)CC2 ZINC001016668844 757250054 /nfs/dbraw/zinc/25/00/54/757250054.db2.gz AAXQIEIXCWFEJB-HOTGVXAUSA-N 2 1 301.434 1.241 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC=C)CC2 ZINC001016668844 757250059 /nfs/dbraw/zinc/25/00/59/757250059.db2.gz AAXQIEIXCWFEJB-HOTGVXAUSA-N 2 1 301.434 1.241 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016971109 757519646 /nfs/dbraw/zinc/51/96/46/757519646.db2.gz FTLFTCMOGQCMIX-HNNXBMFYSA-N 2 1 300.406 1.186 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040494563 762560936 /nfs/dbraw/zinc/56/09/36/762560936.db2.gz XQFDQZJKDYANMC-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040494563 762560940 /nfs/dbraw/zinc/56/09/40/762560940.db2.gz XQFDQZJKDYANMC-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040494563 762560943 /nfs/dbraw/zinc/56/09/43/762560943.db2.gz XQFDQZJKDYANMC-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530308 762579373 /nfs/dbraw/zinc/57/93/73/762579373.db2.gz VXQBAHCYQOSXER-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530308 762579380 /nfs/dbraw/zinc/57/93/80/762579380.db2.gz VXQBAHCYQOSXER-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040638484 762633225 /nfs/dbraw/zinc/63/32/25/762633225.db2.gz NIRJYDSOJMOHDB-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC[NH+](C)CC1)CO2 ZINC001053915160 758949799 /nfs/dbraw/zinc/94/97/99/758949799.db2.gz FGCNFVULOUWHAF-MRXNPFEDSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001040774083 762676929 /nfs/dbraw/zinc/67/69/29/762676929.db2.gz IFFSQAJXPIWULU-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054061397 759115757 /nfs/dbraw/zinc/11/57/57/759115757.db2.gz YUPVABPSKWQLGQ-ROUUACIJSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054061397 759115760 /nfs/dbraw/zinc/11/57/60/759115760.db2.gz YUPVABPSKWQLGQ-ROUUACIJSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061397 759115761 /nfs/dbraw/zinc/11/57/61/759115761.db2.gz YUPVABPSKWQLGQ-ROUUACIJSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061397 759115764 /nfs/dbraw/zinc/11/57/64/759115764.db2.gz YUPVABPSKWQLGQ-ROUUACIJSA-N 2 1 313.445 1.667 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001085225402 759169933 /nfs/dbraw/zinc/16/99/33/759169933.db2.gz UXJKNLIHLDXTFS-BRWVUGGUSA-N 2 1 305.466 1.900 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129533 759203950 /nfs/dbraw/zinc/20/39/50/759203950.db2.gz SYBBXWDFNPYRJD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129533 759203953 /nfs/dbraw/zinc/20/39/53/759203953.db2.gz SYBBXWDFNPYRJD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129533 759203960 /nfs/dbraw/zinc/20/39/60/759203960.db2.gz SYBBXWDFNPYRJD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197605 759284161 /nfs/dbraw/zinc/28/41/61/759284161.db2.gz FSRKDVSFFZLSGV-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197605 759284165 /nfs/dbraw/zinc/28/41/65/759284165.db2.gz FSRKDVSFFZLSGV-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197605 759284169 /nfs/dbraw/zinc/28/41/69/759284169.db2.gz FSRKDVSFFZLSGV-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227771 759317926 /nfs/dbraw/zinc/31/79/26/759317926.db2.gz KQYRMUAKWWXXBW-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227771 759317936 /nfs/dbraw/zinc/31/79/36/759317936.db2.gz KQYRMUAKWWXXBW-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227771 759317946 /nfs/dbraw/zinc/31/79/46/759317946.db2.gz KQYRMUAKWWXXBW-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001018985922 759479355 /nfs/dbraw/zinc/47/93/55/759479355.db2.gz MDFDYUPTSIFRLC-HOTGVXAUSA-N 2 1 317.458 1.536 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001018985922 759479363 /nfs/dbraw/zinc/47/93/63/759479363.db2.gz MDFDYUPTSIFRLC-HOTGVXAUSA-N 2 1 317.458 1.536 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816735 760297495 /nfs/dbraw/zinc/29/74/95/760297495.db2.gz FJNPXFCUFMSNAC-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816735 760297501 /nfs/dbraw/zinc/29/75/01/760297501.db2.gz FJNPXFCUFMSNAC-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001098406514 760962782 /nfs/dbraw/zinc/96/27/82/760962782.db2.gz QVXKCBRRQUZNDL-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098406514 760962788 /nfs/dbraw/zinc/96/27/88/760962788.db2.gz QVXKCBRRQUZNDL-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098406514 760962791 /nfs/dbraw/zinc/96/27/91/760962791.db2.gz QVXKCBRRQUZNDL-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCC2)CC1 ZINC001039041260 761681761 /nfs/dbraw/zinc/68/17/61/761681761.db2.gz BBLUXXVVSYUDNQ-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145143 761776425 /nfs/dbraw/zinc/77/64/25/761776425.db2.gz UTAGGCJSMOAQNG-QGZVFWFLSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145143 761776436 /nfs/dbraw/zinc/77/64/36/761776436.db2.gz UTAGGCJSMOAQNG-QGZVFWFLSA-N 2 1 314.433 1.385 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115865 761812087 /nfs/dbraw/zinc/81/20/87/761812087.db2.gz GVSSLZZDOSBLRC-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001040848562 762704177 /nfs/dbraw/zinc/70/41/77/762704177.db2.gz KWIKXDPIRYLFDG-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001424111 762852173 /nfs/dbraw/zinc/85/21/73/762852173.db2.gz HFTWSPWTVVSTEO-SJORKVTESA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108803342 762948988 /nfs/dbraw/zinc/94/89/88/762948988.db2.gz BGNKSYKULXZHIX-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821654 762976293 /nfs/dbraw/zinc/97/62/93/762976293.db2.gz REWSUSOOKMATEW-XHSDSOJGSA-N 2 1 300.406 1.184 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357429 762978345 /nfs/dbraw/zinc/97/83/45/762978345.db2.gz HOSMINQXJDDUHZ-AEFFLSMTSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440705 763032626 /nfs/dbraw/zinc/03/26/26/763032626.db2.gz QUWNJFBBCHNXQX-SFHVURJKSA-N 2 1 315.461 1.563 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041480547 763066058 /nfs/dbraw/zinc/06/60/58/763066058.db2.gz UANJAVGDXXDBAD-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041480547 763066065 /nfs/dbraw/zinc/06/60/65/763066065.db2.gz UANJAVGDXXDBAD-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041510385 763088320 /nfs/dbraw/zinc/08/83/20/763088320.db2.gz WPZRBZKQBYFQAF-MJGOQNOKSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785193 763324614 /nfs/dbraw/zinc/32/46/14/763324614.db2.gz CHKVATKLJJDKOA-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785193 763324622 /nfs/dbraw/zinc/32/46/22/763324622.db2.gz CHKVATKLJJDKOA-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785193 763324630 /nfs/dbraw/zinc/32/46/30/763324630.db2.gz CHKVATKLJJDKOA-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832948 763385559 /nfs/dbraw/zinc/38/55/59/763385559.db2.gz IVAPLCCUHFARNQ-MRXNPFEDSA-N 2 1 311.857 1.759 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832948 763385566 /nfs/dbraw/zinc/38/55/66/763385566.db2.gz IVAPLCCUHFARNQ-MRXNPFEDSA-N 2 1 311.857 1.759 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846057 763402822 /nfs/dbraw/zinc/40/28/22/763402822.db2.gz WGCNKSUYVVZFKE-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846057 763402828 /nfs/dbraw/zinc/40/28/28/763402828.db2.gz WGCNKSUYVVZFKE-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846057 763402832 /nfs/dbraw/zinc/40/28/32/763402832.db2.gz WGCNKSUYVVZFKE-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042135954 763693796 /nfs/dbraw/zinc/69/37/96/763693796.db2.gz ZKIXWQBQZUHTOC-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517999 763694991 /nfs/dbraw/zinc/69/49/91/763694991.db2.gz PDMBGZKAVVUXKF-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050548856 763742197 /nfs/dbraw/zinc/74/21/97/763742197.db2.gz BUEJAZCZWMLOBH-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC=C)CC2 ZINC001050551526 763744499 /nfs/dbraw/zinc/74/44/99/763744499.db2.gz YTHOGJYDLWBWSI-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC=C)CC2 ZINC001050551526 763744505 /nfs/dbraw/zinc/74/45/05/763744505.db2.gz YTHOGJYDLWBWSI-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724569 763970571 /nfs/dbraw/zinc/97/05/71/763970571.db2.gz YYQGJOMDVTZCTA-PMPSAXMXSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724569 763970577 /nfs/dbraw/zinc/97/05/77/763970577.db2.gz YYQGJOMDVTZCTA-PMPSAXMXSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724569 763970583 /nfs/dbraw/zinc/97/05/83/763970583.db2.gz YYQGJOMDVTZCTA-PMPSAXMXSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC)[C@H]3C2)CC1 ZINC001042367839 763971396 /nfs/dbraw/zinc/97/13/96/763971396.db2.gz MCJBSGXVJJSXIL-RDJZCZTQSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843642 764124664 /nfs/dbraw/zinc/12/46/64/764124664.db2.gz VVAOJXANRDFIKI-IKGGRYGDSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843642 764124671 /nfs/dbraw/zinc/12/46/71/764124671.db2.gz VVAOJXANRDFIKI-IKGGRYGDSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050920558 764282729 /nfs/dbraw/zinc/28/27/29/764282729.db2.gz IIMPOUDLIOHOEY-IRXDYDNUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050920558 764282738 /nfs/dbraw/zinc/28/27/38/764282738.db2.gz IIMPOUDLIOHOEY-IRXDYDNUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001100137201 764322470 /nfs/dbraw/zinc/32/24/70/764322470.db2.gz XUESKRZQBBFEPE-HZPDHXFCSA-N 2 1 320.437 1.181 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131692326 768275154 /nfs/dbraw/zinc/27/51/54/768275154.db2.gz GLVPISUUKIBRJH-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131696796 768278281 /nfs/dbraw/zinc/27/82/81/768278281.db2.gz AMTLFTJKUAIIKN-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696796 768278285 /nfs/dbraw/zinc/27/82/85/768278285.db2.gz AMTLFTJKUAIIKN-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696796 768278289 /nfs/dbraw/zinc/27/82/89/768278289.db2.gz AMTLFTJKUAIIKN-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC)CC1 ZINC001052459459 765848986 /nfs/dbraw/zinc/84/89/86/765848986.db2.gz OLQUJKJDLDVBNR-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC)CC1 ZINC001052459459 765848994 /nfs/dbraw/zinc/84/89/94/765848994.db2.gz OLQUJKJDLDVBNR-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC)CC1 ZINC001052459459 765849000 /nfs/dbraw/zinc/84/90/00/765849000.db2.gz OLQUJKJDLDVBNR-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC)CC1 ZINC001052459459 765849005 /nfs/dbraw/zinc/84/90/05/765849005.db2.gz OLQUJKJDLDVBNR-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562573 765959483 /nfs/dbraw/zinc/95/94/83/765959483.db2.gz VOKPQGKCPVRGRR-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573211 765967430 /nfs/dbraw/zinc/96/74/30/765967430.db2.gz VTFBBTPLVCMIEP-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573211 765967433 /nfs/dbraw/zinc/96/74/33/765967433.db2.gz VTFBBTPLVCMIEP-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573211 765967438 /nfs/dbraw/zinc/96/74/38/765967438.db2.gz VTFBBTPLVCMIEP-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052658206 766046194 /nfs/dbraw/zinc/04/61/94/766046194.db2.gz HLYURYXHMRFVKL-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052658206 766046203 /nfs/dbraw/zinc/04/62/03/766046203.db2.gz HLYURYXHMRFVKL-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658206 766046209 /nfs/dbraw/zinc/04/62/09/766046209.db2.gz HLYURYXHMRFVKL-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658206 766046217 /nfs/dbraw/zinc/04/62/17/766046217.db2.gz HLYURYXHMRFVKL-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001170212366 766171397 /nfs/dbraw/zinc/17/13/97/766171397.db2.gz VXVRFOWZXUDCJT-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045439102 766307345 /nfs/dbraw/zinc/30/73/45/766307345.db2.gz ZEOCNFFHTIHUDP-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001045925630 766708777 /nfs/dbraw/zinc/70/87/77/766708777.db2.gz UJZCBYSRQIGHNH-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001045925630 766708780 /nfs/dbraw/zinc/70/87/80/766708780.db2.gz UJZCBYSRQIGHNH-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001045925630 766708783 /nfs/dbraw/zinc/70/87/83/766708783.db2.gz UJZCBYSRQIGHNH-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001045925630 766708785 /nfs/dbraw/zinc/70/87/85/766708785.db2.gz UJZCBYSRQIGHNH-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623424 766937709 /nfs/dbraw/zinc/93/77/09/766937709.db2.gz CXXUPZDFDOQDNN-FGTMMUONSA-N 2 1 313.445 1.708 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001129775407 766999829 /nfs/dbraw/zinc/99/98/29/766999829.db2.gz MRQFIMNPJOYSSV-MSOLQXFVSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CC)c1ccccc1 ZINC001129775407 766999838 /nfs/dbraw/zinc/99/98/38/766999838.db2.gz MRQFIMNPJOYSSV-MSOLQXFVSA-N 2 1 313.445 1.941 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001130298001 767417807 /nfs/dbraw/zinc/41/78/07/767417807.db2.gz VHABVVKGOZESBN-INIZCTEOSA-N 2 1 300.406 1.248 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696580 767814539 /nfs/dbraw/zinc/81/45/39/767814539.db2.gz VCAVUCDXDGGIQD-KRWDZBQOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001047482640 768508817 /nfs/dbraw/zinc/50/88/17/768508817.db2.gz FHQSFDCLHCWRRC-HOTGVXAUSA-N 2 1 323.481 1.331 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132364691 768779042 /nfs/dbraw/zinc/77/90/42/768779042.db2.gz DWVQOCGZRANVLO-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132364691 768779045 /nfs/dbraw/zinc/77/90/45/768779045.db2.gz DWVQOCGZRANVLO-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132425916 768840200 /nfs/dbraw/zinc/84/02/00/768840200.db2.gz OWQBLKRYKSJNJX-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827830 769953232 /nfs/dbraw/zinc/95/32/32/769953232.db2.gz ILNHNIBFNBQICT-HRCADAONSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827830 769953240 /nfs/dbraw/zinc/95/32/40/769953240.db2.gz ILNHNIBFNBQICT-HRCADAONSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107289 770391427 /nfs/dbraw/zinc/39/14/27/770391427.db2.gz DASCSSAHJCQHFQ-VVLHAWIVSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107289 770391440 /nfs/dbraw/zinc/39/14/40/770391440.db2.gz DASCSSAHJCQHFQ-VVLHAWIVSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107289 770391453 /nfs/dbraw/zinc/39/14/53/770391453.db2.gz DASCSSAHJCQHFQ-VVLHAWIVSA-N 2 1 301.434 1.027 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049233695 770580009 /nfs/dbraw/zinc/58/00/09/770580009.db2.gz QARPEHVKYKUAIV-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049233695 770580018 /nfs/dbraw/zinc/58/00/18/770580018.db2.gz QARPEHVKYKUAIV-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049233695 770580019 /nfs/dbraw/zinc/58/00/19/770580019.db2.gz QARPEHVKYKUAIV-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049639353 771042200 /nfs/dbraw/zinc/04/22/00/771042200.db2.gz PJPREWZKKZFMGY-DLBZAZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675523 771644453 /nfs/dbraw/zinc/64/44/53/771644453.db2.gz HNYJIGFHJTXVEE-ZIAGYGMSSA-N 2 1 317.861 1.334 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135690405 771656132 /nfs/dbraw/zinc/65/61/32/771656132.db2.gz HCJRSCMITKFSPB-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677028 773346393 /nfs/dbraw/zinc/34/63/93/773346393.db2.gz JBFPRXZSJYBLBY-RYRKJORJSA-N 2 1 303.450 1.295 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073746462 773370951 /nfs/dbraw/zinc/37/09/51/773370951.db2.gz YRKGFNSAHBIPTK-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746462 773370954 /nfs/dbraw/zinc/37/09/54/773370954.db2.gz YRKGFNSAHBIPTK-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746462 773370961 /nfs/dbraw/zinc/37/09/61/773370961.db2.gz YRKGFNSAHBIPTK-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819033 773828315 /nfs/dbraw/zinc/82/83/15/773828315.db2.gz NWWIOSQTGLCRMD-WBVHZDCISA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014663 773922060 /nfs/dbraw/zinc/92/20/60/773922060.db2.gz CEYSJAAEYJBYES-QAPCUYQASA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014663 773922063 /nfs/dbraw/zinc/92/20/63/773922063.db2.gz CEYSJAAEYJBYES-QAPCUYQASA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014663 773922065 /nfs/dbraw/zinc/92/20/65/773922065.db2.gz CEYSJAAEYJBYES-QAPCUYQASA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092199265 774000726 /nfs/dbraw/zinc/00/07/26/774000726.db2.gz IFTHOUIXVNQIFS-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092199265 774000733 /nfs/dbraw/zinc/00/07/33/774000733.db2.gz IFTHOUIXVNQIFS-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092199265 774000739 /nfs/dbraw/zinc/00/07/39/774000739.db2.gz IFTHOUIXVNQIFS-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092966060 774340710 /nfs/dbraw/zinc/34/07/10/774340710.db2.gz QDMPRIXPGJTTIK-FVQBIDKESA-N 2 1 314.433 1.071 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092966060 774340716 /nfs/dbraw/zinc/34/07/16/774340716.db2.gz QDMPRIXPGJTTIK-FVQBIDKESA-N 2 1 314.433 1.071 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001075111495 774362269 /nfs/dbraw/zinc/36/22/69/774362269.db2.gz KXRQRWJOGHLCJR-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036716927 774390897 /nfs/dbraw/zinc/39/08/97/774390897.db2.gz NTCNYFILWVXASH-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036735582 774429132 /nfs/dbraw/zinc/42/91/32/774429132.db2.gz MSHDSWROXRBRSW-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036735927 774429303 /nfs/dbraw/zinc/42/93/03/774429303.db2.gz RWOXWFOEOVEKEF-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001098368327 774550476 /nfs/dbraw/zinc/55/04/76/774550476.db2.gz BHFCZYDDHMRSDL-QGZVFWFLSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001098368327 774550479 /nfs/dbraw/zinc/55/04/79/774550479.db2.gz BHFCZYDDHMRSDL-QGZVFWFLSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001098368327 774550482 /nfs/dbraw/zinc/55/04/82/774550482.db2.gz BHFCZYDDHMRSDL-QGZVFWFLSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773032 774566779 /nfs/dbraw/zinc/56/67/79/774566779.db2.gz GNDWSNYAMPEAHF-GJZGRUSLSA-N 2 1 322.840 1.867 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773032 774566787 /nfs/dbraw/zinc/56/67/87/774566787.db2.gz GNDWSNYAMPEAHF-GJZGRUSLSA-N 2 1 322.840 1.867 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099544316 775022611 /nfs/dbraw/zinc/02/26/11/775022611.db2.gz NSBHKSFUMQVKFI-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149842708 775317640 /nfs/dbraw/zinc/31/76/40/775317640.db2.gz YMQDNRKCDUIEOU-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC)C2)CC1 ZINC001036902360 776076841 /nfs/dbraw/zinc/07/68/41/776076841.db2.gz JQYLBDKZYFEBHD-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001094951154 776891460 /nfs/dbraw/zinc/89/14/60/776891460.db2.gz DUQARPOAVNTHCV-MJBXVCDLSA-N 2 1 318.421 1.505 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976131 777757454 /nfs/dbraw/zinc/75/74/54/777757454.db2.gz KEXCAXXMSILMSQ-KBAYOESNSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185847 777918509 /nfs/dbraw/zinc/91/85/09/777918509.db2.gz WQLPRPZCFMVZSN-OIISXLGYSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001177139704 778458250 /nfs/dbraw/zinc/45/82/50/778458250.db2.gz UCZUEZZJYYXMND-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@H]21 ZINC001177139704 778458253 /nfs/dbraw/zinc/45/82/53/778458253.db2.gz UCZUEZZJYYXMND-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177139704 778458254 /nfs/dbraw/zinc/45/82/54/778458254.db2.gz UCZUEZZJYYXMND-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177139704 778458257 /nfs/dbraw/zinc/45/82/57/778458257.db2.gz UCZUEZZJYYXMND-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001103099790 778639126 /nfs/dbraw/zinc/63/91/26/778639126.db2.gz ZQGPXFPBCWLQEH-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC#C)C1 ZINC001103099790 778639127 /nfs/dbraw/zinc/63/91/27/778639127.db2.gz ZQGPXFPBCWLQEH-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001103099790 778639138 /nfs/dbraw/zinc/63/91/38/778639138.db2.gz ZQGPXFPBCWLQEH-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001103099790 778639143 /nfs/dbraw/zinc/63/91/43/778639143.db2.gz ZQGPXFPBCWLQEH-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374965 778828673 /nfs/dbraw/zinc/82/86/73/778828673.db2.gz SOXFYCRPCFYESL-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001178045782 778832833 /nfs/dbraw/zinc/83/28/33/778832833.db2.gz VFHBTGYGXLVQBX-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103435856 778866135 /nfs/dbraw/zinc/86/61/35/778866135.db2.gz BVBQNTGXWPSRRB-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435856 778866145 /nfs/dbraw/zinc/86/61/45/778866145.db2.gz BVBQNTGXWPSRRB-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435856 778866152 /nfs/dbraw/zinc/86/61/52/778866152.db2.gz BVBQNTGXWPSRRB-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533879 778929574 /nfs/dbraw/zinc/92/95/74/778929574.db2.gz GVAJPWMKXWHASC-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001103533879 778929581 /nfs/dbraw/zinc/92/95/81/778929581.db2.gz GVAJPWMKXWHASC-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001103732758 779019018 /nfs/dbraw/zinc/01/90/18/779019018.db2.gz SXHYQARJFPLECA-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689353 779141154 /nfs/dbraw/zinc/14/11/54/779141154.db2.gz QSIUCFVPDGJXOG-YESZJQIVSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001179824085 779512843 /nfs/dbraw/zinc/51/28/43/779512843.db2.gz QCVFGUDMXORINU-UHFFFAOYSA-N 2 1 323.481 1.388 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873095 779531454 /nfs/dbraw/zinc/53/14/54/779531454.db2.gz JVDRRBPSDZHSPY-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873095 779531460 /nfs/dbraw/zinc/53/14/60/779531460.db2.gz JVDRRBPSDZHSPY-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873095 779531465 /nfs/dbraw/zinc/53/14/65/779531465.db2.gz JVDRRBPSDZHSPY-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001267279046 837733195 /nfs/dbraw/zinc/73/31/95/837733195.db2.gz VYSGXGRWHGTTHI-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001267279046 837733200 /nfs/dbraw/zinc/73/32/00/837733200.db2.gz VYSGXGRWHGTTHI-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001271777588 844103701 /nfs/dbraw/zinc/10/37/01/844103701.db2.gz TXTWRSARGGNZQV-BRWVUGGUSA-N 2 1 305.466 1.616 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266674147 836638212 /nfs/dbraw/zinc/63/82/12/836638212.db2.gz NUPNXLOXQFSLOV-KSZLIROESA-N 2 1 311.429 1.369 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266895987 837017571 /nfs/dbraw/zinc/01/75/71/837017571.db2.gz VTNXDJIHDGOEBQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266895987 837017580 /nfs/dbraw/zinc/01/75/80/837017580.db2.gz VTNXDJIHDGOEBQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266904652 837036425 /nfs/dbraw/zinc/03/64/25/837036425.db2.gz NBATZTCWJSTWHJ-OCABDXPQSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266904652 837036435 /nfs/dbraw/zinc/03/64/35/837036435.db2.gz NBATZTCWJSTWHJ-OCABDXPQSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266904652 837036449 /nfs/dbraw/zinc/03/64/49/837036449.db2.gz NBATZTCWJSTWHJ-OCABDXPQSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267487865 838167299 /nfs/dbraw/zinc/16/72/99/838167299.db2.gz FBYCNUSDOBXGAX-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576573 838346417 /nfs/dbraw/zinc/34/64/17/838346417.db2.gz SYTIHCLSQFGSCK-MRXNPFEDSA-N 2 1 316.449 1.858 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576573 838346420 /nfs/dbraw/zinc/34/64/20/838346420.db2.gz SYTIHCLSQFGSCK-MRXNPFEDSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267684821 838638475 /nfs/dbraw/zinc/63/84/75/838638475.db2.gz SIWVPJZUKMQFGY-YJBOKZPZSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267684821 838638478 /nfs/dbraw/zinc/63/84/78/838638478.db2.gz SIWVPJZUKMQFGY-YJBOKZPZSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267684821 838638481 /nfs/dbraw/zinc/63/84/81/838638481.db2.gz SIWVPJZUKMQFGY-YJBOKZPZSA-N 2 1 323.456 1.612 20 30 DDEDMP C=CC[NH2+]CC1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC1 ZINC001267839076 839059949 /nfs/dbraw/zinc/05/99/49/839059949.db2.gz GPXLGJMJQSLAKO-UHFFFAOYSA-N 2 1 306.410 1.554 20 30 DDEDMP C#CC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001267915674 839188878 /nfs/dbraw/zinc/18/88/78/839188878.db2.gz MNTYVQSUAYGUEH-UHFFFAOYSA-N 2 1 316.449 1.858 20 30 DDEDMP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268054993 839615994 /nfs/dbraw/zinc/61/59/94/839615994.db2.gz RSPMBJBDCOFJLQ-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269295360 841481833 /nfs/dbraw/zinc/48/18/33/841481833.db2.gz CYVOQEBVCBHXGS-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269295360 841481838 /nfs/dbraw/zinc/48/18/38/841481838.db2.gz CYVOQEBVCBHXGS-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001270656055 842779821 /nfs/dbraw/zinc/77/98/21/842779821.db2.gz ARTRDTJLHRXQKK-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001270656055 842779831 /nfs/dbraw/zinc/77/98/31/842779831.db2.gz ARTRDTJLHRXQKK-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001270656055 842779836 /nfs/dbraw/zinc/77/98/36/842779836.db2.gz ARTRDTJLHRXQKK-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001270991222 843118133 /nfs/dbraw/zinc/11/81/33/843118133.db2.gz LRGRJHSDGONAKZ-GOSISDBHSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)CCc2ccccc2)CCC1 ZINC001326890041 861692380 /nfs/dbraw/zinc/69/23/80/861692380.db2.gz UCWLMAUMGHNENN-UHFFFAOYSA-N 2 1 313.445 1.423 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272717101 846707850 /nfs/dbraw/zinc/70/78/50/846707850.db2.gz PDSSSAJMVRWISK-SFHVURJKSA-N 2 1 303.450 1.420 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808184 847459195 /nfs/dbraw/zinc/45/91/95/847459195.db2.gz HIYUBDGFUJUFBH-KRWDZBQOSA-N 2 1 300.406 1.495 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808184 847459198 /nfs/dbraw/zinc/45/91/98/847459198.db2.gz HIYUBDGFUJUFBH-KRWDZBQOSA-N 2 1 300.406 1.495 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001327079694 861858220 /nfs/dbraw/zinc/85/82/20/861858220.db2.gz JPCGDZLWSYTQNO-JKSUJKDBSA-N 2 1 311.470 1.498 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC)CC1 ZINC001005519116 848052728 /nfs/dbraw/zinc/05/27/28/848052728.db2.gz TYXFCKFXEMELNF-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC)CC1 ZINC001005519116 848052730 /nfs/dbraw/zinc/05/27/30/848052730.db2.gz TYXFCKFXEMELNF-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248633 848155528 /nfs/dbraw/zinc/15/55/28/848155528.db2.gz FGPHAXWPXSVJCI-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248633 848155531 /nfs/dbraw/zinc/15/55/31/848155531.db2.gz FGPHAXWPXSVJCI-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248633 848155533 /nfs/dbraw/zinc/15/55/33/848155533.db2.gz FGPHAXWPXSVJCI-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204215 848729506 /nfs/dbraw/zinc/72/95/06/848729506.db2.gz KLAOHWPFHXOGPZ-OAHLLOKOSA-N 2 1 316.449 1.883 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149842317 861937875 /nfs/dbraw/zinc/93/78/75/861937875.db2.gz RHAYILHRLPAOBV-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149861031 861949756 /nfs/dbraw/zinc/94/97/56/861949756.db2.gz LUZXIINFWKEBBD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149861031 861949769 /nfs/dbraw/zinc/94/97/69/861949769.db2.gz LUZXIINFWKEBBD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149861031 861949782 /nfs/dbraw/zinc/94/97/82/861949782.db2.gz LUZXIINFWKEBBD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332084 862185406 /nfs/dbraw/zinc/18/54/06/862185406.db2.gz GHTBJHCYCQTEQH-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150332084 862185410 /nfs/dbraw/zinc/18/54/10/862185410.db2.gz GHTBJHCYCQTEQH-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001150332084 862185416 /nfs/dbraw/zinc/18/54/16/862185416.db2.gz GHTBJHCYCQTEQH-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP Cn1cncc1CN1CC[C@@]2(CC[N@@H+](CCCCC#N)C2)C1=O ZINC001274042430 851883223 /nfs/dbraw/zinc/88/32/23/851883223.db2.gz GNUOOWIZPDVKLO-QGZVFWFLSA-N 2 1 315.421 1.538 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001274229506 852074270 /nfs/dbraw/zinc/07/42/70/852074270.db2.gz OGMCSGPOEMLZNT-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001274319028 852154565 /nfs/dbraw/zinc/15/45/65/852154565.db2.gz WQVUFMCKUPNIHW-NFAHFFEMSA-N 2 1 300.406 1.039 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1CCC(C)([NH2+]CC#CCOC)CC1 ZINC001274393021 852226493 /nfs/dbraw/zinc/22/64/93/852226493.db2.gz FRHYKIOPVNLXHY-UHFFFAOYSA-N 2 1 323.481 1.339 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001274929888 852695660 /nfs/dbraw/zinc/69/56/60/852695660.db2.gz LVIYCQYUUYFZAE-MRXNPFEDSA-N 2 1 323.481 1.238 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150778724 862464998 /nfs/dbraw/zinc/46/49/98/862464998.db2.gz NQIUTSQZRSVJFS-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150819323 862482790 /nfs/dbraw/zinc/48/27/90/862482790.db2.gz ZZNVVDZWZPDRBE-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150819323 862482794 /nfs/dbraw/zinc/48/27/94/862482794.db2.gz ZZNVVDZWZPDRBE-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001280758580 853911819 /nfs/dbraw/zinc/91/18/19/853911819.db2.gz CKMXCWAZPCONQP-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001280758580 853911823 /nfs/dbraw/zinc/91/18/23/853911823.db2.gz CKMXCWAZPCONQP-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001049549022 856961292 /nfs/dbraw/zinc/96/12/92/856961292.db2.gz MYJJLALPLFLGMP-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549022 856961300 /nfs/dbraw/zinc/96/13/00/856961300.db2.gz MYJJLALPLFLGMP-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549022 856961307 /nfs/dbraw/zinc/96/13/07/856961307.db2.gz MYJJLALPLFLGMP-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549022 856961310 /nfs/dbraw/zinc/96/13/10/856961310.db2.gz MYJJLALPLFLGMP-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549022 856961315 /nfs/dbraw/zinc/96/13/15/856961315.db2.gz MYJJLALPLFLGMP-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001072752512 857670254 /nfs/dbraw/zinc/67/02/54/857670254.db2.gz NGHBFYPFPKUMGB-OAHLLOKOSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001072752512 857670259 /nfs/dbraw/zinc/67/02/59/857670259.db2.gz NGHBFYPFPKUMGB-OAHLLOKOSA-N 2 1 314.433 1.564 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072799450 857714688 /nfs/dbraw/zinc/71/46/88/857714688.db2.gz LWOLZLDZFBSLFN-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799450 857714691 /nfs/dbraw/zinc/71/46/91/857714691.db2.gz LWOLZLDZFBSLFN-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799450 857714699 /nfs/dbraw/zinc/71/46/99/857714699.db2.gz LWOLZLDZFBSLFN-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072799409 857715489 /nfs/dbraw/zinc/71/54/89/857715489.db2.gz JRZCZPVYGKNJNO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799409 857715495 /nfs/dbraw/zinc/71/54/95/857715495.db2.gz JRZCZPVYGKNJNO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799409 857715499 /nfs/dbraw/zinc/71/54/99/857715499.db2.gz JRZCZPVYGKNJNO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072983053 857968037 /nfs/dbraw/zinc/96/80/37/857968037.db2.gz KBXCPGUYHRPZKK-GXTWGEPZSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072983053 857968044 /nfs/dbraw/zinc/96/80/44/857968044.db2.gz KBXCPGUYHRPZKK-GXTWGEPZSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072983053 857968050 /nfs/dbraw/zinc/96/80/50/857968050.db2.gz KBXCPGUYHRPZKK-GXTWGEPZSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072983053 857968055 /nfs/dbraw/zinc/96/80/55/857968055.db2.gz KBXCPGUYHRPZKK-GXTWGEPZSA-N 2 1 311.857 1.471 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121772487 858593599 /nfs/dbraw/zinc/59/35/99/858593599.db2.gz BIULCUSGSJBGFJ-UICTUYQUSA-N 2 1 303.450 1.224 20 30 DDEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122178089 858703724 /nfs/dbraw/zinc/70/37/24/858703724.db2.gz UUNLRFOSMZULOD-JFPDKAJLSA-N 2 1 305.466 1.921 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001139528583 860426777 /nfs/dbraw/zinc/42/67/77/860426777.db2.gz RITFYELBFGETIV-ZWKOTPCHSA-N 2 1 316.424 1.908 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202946911 860429779 /nfs/dbraw/zinc/42/97/79/860429779.db2.gz DIUDUSXSJCKGIE-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104050 860808527 /nfs/dbraw/zinc/80/85/27/860808527.db2.gz PYMXMUWWTJXNHE-GJZGRUSLSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001328763195 863202077 /nfs/dbraw/zinc/20/20/77/863202077.db2.gz BYJLPJMMJJCALS-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001328763195 863202088 /nfs/dbraw/zinc/20/20/88/863202088.db2.gz BYJLPJMMJJCALS-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCCC)C1 ZINC001330020927 864025348 /nfs/dbraw/zinc/02/53/48/864025348.db2.gz JQPFUJJDRCARFM-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCCC)C1 ZINC001330020927 864025359 /nfs/dbraw/zinc/02/53/59/864025359.db2.gz JQPFUJJDRCARFM-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001331296829 864995320 /nfs/dbraw/zinc/99/53/20/864995320.db2.gz QGPBQHCYOBSPON-MSOLQXFVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001331374340 865043436 /nfs/dbraw/zinc/04/34/36/865043436.db2.gz JROFCANJPGTFPJ-SJORKVTESA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001331374340 865043439 /nfs/dbraw/zinc/04/34/39/865043439.db2.gz JROFCANJPGTFPJ-SJORKVTESA-N 2 1 318.465 1.354 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159725205 865484565 /nfs/dbraw/zinc/48/45/65/865484565.db2.gz DQUMVZZDDNNRNN-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725205 865484569 /nfs/dbraw/zinc/48/45/69/865484569.db2.gz DQUMVZZDDNNRNN-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725205 865484575 /nfs/dbraw/zinc/48/45/75/865484575.db2.gz DQUMVZZDDNNRNN-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725205 865484580 /nfs/dbraw/zinc/48/45/80/865484580.db2.gz DQUMVZZDDNNRNN-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccccc1C#N)C1CCC1 ZINC001159997493 865635341 /nfs/dbraw/zinc/63/53/41/865635341.db2.gz OUJYZCCWUGNKPS-UHFFFAOYSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001160196671 865721843 /nfs/dbraw/zinc/72/18/43/865721843.db2.gz XGJJPLYRXHFCFF-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196671 865721850 /nfs/dbraw/zinc/72/18/50/865721850.db2.gz XGJJPLYRXHFCFF-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196671 865721857 /nfs/dbraw/zinc/72/18/57/865721857.db2.gz XGJJPLYRXHFCFF-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001160198208 865722300 /nfs/dbraw/zinc/72/23/00/865722300.db2.gz XDQNLETZVIWVFG-KRWDZBQOSA-N 2 1 317.408 1.519 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(F)c1 ZINC001160198208 865722310 /nfs/dbraw/zinc/72/23/10/865722310.db2.gz XDQNLETZVIWVFG-KRWDZBQOSA-N 2 1 317.408 1.519 20 30 DDEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001319875422 866361701 /nfs/dbraw/zinc/36/17/01/866361701.db2.gz TUXCDNAVAXRKIV-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001319875422 866361657 /nfs/dbraw/zinc/36/16/57/866361657.db2.gz TUXCDNAVAXRKIV-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001319875422 866361677 /nfs/dbraw/zinc/36/16/77/866361677.db2.gz TUXCDNAVAXRKIV-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001319875422 866361685 /nfs/dbraw/zinc/36/16/85/866361685.db2.gz TUXCDNAVAXRKIV-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001320115116 866484704 /nfs/dbraw/zinc/48/47/04/866484704.db2.gz OBUKGDXOMLNOOH-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001320149740 866514567 /nfs/dbraw/zinc/51/45/67/866514567.db2.gz YELYMJMQUBMEPN-DZGCQCFKSA-N 2 1 320.437 1.800 20 30 DDEDMP CC#CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161874650 867060885 /nfs/dbraw/zinc/06/08/85/867060885.db2.gz IDRUUIZBRWUQEP-UHFFFAOYSA-N 2 1 300.406 1.353 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161874650 867060905 /nfs/dbraw/zinc/06/09/05/867060905.db2.gz IDRUUIZBRWUQEP-UHFFFAOYSA-N 2 1 300.406 1.353 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCOCC1 ZINC001325029782 867709132 /nfs/dbraw/zinc/70/91/32/867709132.db2.gz XZCLXSZAGFQRGF-INIZCTEOSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001325038176 867712865 /nfs/dbraw/zinc/71/28/65/867712865.db2.gz VJHQNXUUXMJLBR-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CC)C2 ZINC001325629712 868197259 /nfs/dbraw/zinc/19/72/59/868197259.db2.gz MZQWHYLBTRCAHL-BJWYYQGGSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CC)C2 ZINC001325629712 868197272 /nfs/dbraw/zinc/19/72/72/868197272.db2.gz MZQWHYLBTRCAHL-BJWYYQGGSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CC)C2 ZINC001325629712 868197280 /nfs/dbraw/zinc/19/72/80/868197280.db2.gz MZQWHYLBTRCAHL-BJWYYQGGSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001322851551 868424512 /nfs/dbraw/zinc/42/45/12/868424512.db2.gz AECUFLZLPRTBKD-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001316988213 870075015 /nfs/dbraw/zinc/07/50/15/870075015.db2.gz RZFXMTBCYMLEEV-QGZVFWFLSA-N 2 1 301.434 1.537 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001316988213 870075022 /nfs/dbraw/zinc/07/50/22/870075022.db2.gz RZFXMTBCYMLEEV-QGZVFWFLSA-N 2 1 301.434 1.537 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001316988213 870075036 /nfs/dbraw/zinc/07/50/36/870075036.db2.gz RZFXMTBCYMLEEV-QGZVFWFLSA-N 2 1 301.434 1.537 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001316988213 870075049 /nfs/dbraw/zinc/07/50/49/870075049.db2.gz RZFXMTBCYMLEEV-QGZVFWFLSA-N 2 1 301.434 1.537 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001317100452 870246150 /nfs/dbraw/zinc/24/61/50/870246150.db2.gz QRSNONKYURVTEH-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317100452 870246164 /nfs/dbraw/zinc/24/61/64/870246164.db2.gz QRSNONKYURVTEH-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317100452 870246176 /nfs/dbraw/zinc/24/61/76/870246176.db2.gz QRSNONKYURVTEH-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317272931 870563186 /nfs/dbraw/zinc/56/31/86/870563186.db2.gz WKXIWDGHMNRBKI-NXHRZFHOSA-N 2 1 313.445 1.449 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317337311 870666861 /nfs/dbraw/zinc/66/68/61/870666861.db2.gz KZJOYJWRSMCMLH-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCOc3ccccc32)CC1 ZINC001340855216 871390977 /nfs/dbraw/zinc/39/09/77/871390977.db2.gz UXRHNPSHHDWEQV-QGZVFWFLSA-N 2 1 315.417 1.476 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CCCn2ccnc2C)C1 ZINC001317806017 871529512 /nfs/dbraw/zinc/52/95/12/871529512.db2.gz PPQQGSJCIBWZGF-MRXNPFEDSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317806017 871529517 /nfs/dbraw/zinc/52/95/17/871529517.db2.gz PPQQGSJCIBWZGF-MRXNPFEDSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317806017 871529522 /nfs/dbraw/zinc/52/95/22/871529522.db2.gz PPQQGSJCIBWZGF-MRXNPFEDSA-N 2 1 302.422 1.433 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001313051053 871775311 /nfs/dbraw/zinc/77/53/11/871775311.db2.gz UINRQWYWJIIYER-KRWDZBQOSA-N 2 1 314.433 1.125 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001342033747 871962725 /nfs/dbraw/zinc/96/27/25/871962725.db2.gz MYYMEVHCFLNXMA-HOTGVXAUSA-N 2 1 311.470 1.629 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC001342033747 871962732 /nfs/dbraw/zinc/96/27/32/871962732.db2.gz MYYMEVHCFLNXMA-HOTGVXAUSA-N 2 1 311.470 1.629 20 30 DDEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316746682 871987437 /nfs/dbraw/zinc/98/74/37/871987437.db2.gz FGHIAYYOJAQLRU-HOTGVXAUSA-N 2 1 311.470 1.044 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316806719 872076977 /nfs/dbraw/zinc/07/69/77/872076977.db2.gz LYNMUQPBLYLMRN-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001318976655 872375062 /nfs/dbraw/zinc/37/50/62/872375062.db2.gz QXYFMTURKPNJOY-QAQDUYKDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001319111518 872444847 /nfs/dbraw/zinc/44/48/47/872444847.db2.gz IQIOGEXEIQCCRA-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208333962 874025624 /nfs/dbraw/zinc/02/56/24/874025624.db2.gz BGFWTKDBHULZBR-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209162627 874700895 /nfs/dbraw/zinc/70/08/95/874700895.db2.gz XACCIBSWXYFKFK-UHFFFAOYSA-N 2 1 306.410 1.290 20 30 DDEDMP C=CCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209162627 874700901 /nfs/dbraw/zinc/70/09/01/874700901.db2.gz XACCIBSWXYFKFK-UHFFFAOYSA-N 2 1 306.410 1.290 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209633715 875021870 /nfs/dbraw/zinc/02/18/70/875021870.db2.gz WKSOFKRCWZCLPH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210134288 875239082 /nfs/dbraw/zinc/23/90/82/875239082.db2.gz WWBXRJUNKWBGHO-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211191297 875706014 /nfs/dbraw/zinc/70/60/14/875706014.db2.gz HQVWXNWOIRTQHN-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211191297 875706022 /nfs/dbraw/zinc/70/60/22/875706022.db2.gz HQVWXNWOIRTQHN-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001211191297 875706028 /nfs/dbraw/zinc/70/60/28/875706028.db2.gz HQVWXNWOIRTQHN-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001211191297 875706034 /nfs/dbraw/zinc/70/60/34/875706034.db2.gz HQVWXNWOIRTQHN-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C#Cc1cncc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC001351220121 876129298 /nfs/dbraw/zinc/12/92/98/876129298.db2.gz DQWOXWOAINBWIE-UHFFFAOYSA-N 2 1 321.384 1.462 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001353571972 877425328 /nfs/dbraw/zinc/42/53/28/877425328.db2.gz SREYASHCIIOXDP-CVEARBPZSA-N 2 1 323.481 1.820 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218551005 877559454 /nfs/dbraw/zinc/55/94/54/877559454.db2.gz YZUKDGYUVJGPDB-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001379696795 877766197 /nfs/dbraw/zinc/76/61/97/877766197.db2.gz QXTYUZMQHVBEPH-KGLIPLIRSA-N 2 1 310.829 1.819 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033704 877883767 /nfs/dbraw/zinc/88/37/67/877883767.db2.gz SQESSXUNHIHNHJ-JKSUJKDBSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001219033704 877883799 /nfs/dbraw/zinc/88/37/99/877883799.db2.gz SQESSXUNHIHNHJ-JKSUJKDBSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219880064 878564642 /nfs/dbraw/zinc/56/46/42/878564642.db2.gz XETIZNFREFGDTR-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219880064 878564657 /nfs/dbraw/zinc/56/46/57/878564657.db2.gz XETIZNFREFGDTR-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219880064 878564669 /nfs/dbraw/zinc/56/46/69/878564669.db2.gz XETIZNFREFGDTR-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219880064 878564676 /nfs/dbraw/zinc/56/46/76/878564676.db2.gz XETIZNFREFGDTR-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277913946 888296212 /nfs/dbraw/zinc/29/62/12/888296212.db2.gz KFTBVYMAKQMJAM-DZGCQCFKSA-N 2 1 304.438 1.767 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001235339790 888568703 /nfs/dbraw/zinc/56/87/03/888568703.db2.gz YRIZQXFUKHAEBD-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339790 888568716 /nfs/dbraw/zinc/56/87/16/888568716.db2.gz YRIZQXFUKHAEBD-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339790 888568726 /nfs/dbraw/zinc/56/87/26/888568726.db2.gz YRIZQXFUKHAEBD-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001278467721 892925886 /nfs/dbraw/zinc/92/58/86/892925886.db2.gz UJRSFWRXRBISJK-IEBWSBKVSA-N 2 1 317.477 1.999 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001252595136 895297491 /nfs/dbraw/zinc/29/74/91/895297491.db2.gz DZFQTPNUGKGPQJ-OTWHNJEPSA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252595136 895297498 /nfs/dbraw/zinc/29/74/98/895297498.db2.gz DZFQTPNUGKGPQJ-OTWHNJEPSA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252595136 895297510 /nfs/dbraw/zinc/29/75/10/895297510.db2.gz DZFQTPNUGKGPQJ-OTWHNJEPSA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001253182093 895691482 /nfs/dbraw/zinc/69/14/82/895691482.db2.gz LONSFRLUJFISSE-FUHWJXTLSA-N 2 1 323.481 1.190 20 30 DDEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255390137 896880857 /nfs/dbraw/zinc/88/08/57/896880857.db2.gz ZBZBFMMOPOGKES-XIRDDKMYSA-N 2 1 317.433 1.867 20 30 DDEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255390137 896880871 /nfs/dbraw/zinc/88/08/71/896880871.db2.gz ZBZBFMMOPOGKES-XIRDDKMYSA-N 2 1 317.433 1.867 20 30 DDEDMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001367537216 897090838 /nfs/dbraw/zinc/09/08/38/897090838.db2.gz RSDCKMDMLNCHEV-UHFFFAOYSA-N 2 1 302.422 1.400 20 30 DDEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001367856704 898045839 /nfs/dbraw/zinc/04/58/39/898045839.db2.gz NOBHOGFRGOJKBH-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001367856704 898045850 /nfs/dbraw/zinc/04/58/50/898045850.db2.gz NOBHOGFRGOJKBH-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001262563859 900248545 /nfs/dbraw/zinc/24/85/45/900248545.db2.gz QKMNXSYCFXXLBH-HNNXBMFYSA-N 2 1 300.406 1.818 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001264375116 901061254 /nfs/dbraw/zinc/06/12/54/901061254.db2.gz USRVCXOTQBDMLL-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001264520765 901167174 /nfs/dbraw/zinc/16/71/74/901167174.db2.gz PGLNENLQOVAMFA-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265207698 901706420 /nfs/dbraw/zinc/70/64/20/901706420.db2.gz KWPYEVBVNPVSFZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265207698 901706429 /nfs/dbraw/zinc/70/64/29/901706429.db2.gz KWPYEVBVNPVSFZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265207698 901706442 /nfs/dbraw/zinc/70/64/42/901706442.db2.gz KWPYEVBVNPVSFZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265207698 901706456 /nfs/dbraw/zinc/70/64/56/901706456.db2.gz KWPYEVBVNPVSFZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265323688 901886244 /nfs/dbraw/zinc/88/62/44/901886244.db2.gz MAOYXOFVJMHMRD-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001265523885 902091290 /nfs/dbraw/zinc/09/12/90/902091290.db2.gz QNYPFYKGGKZWAN-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265591632 902172425 /nfs/dbraw/zinc/17/24/25/902172425.db2.gz YIERNRKNYJHSJJ-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265591632 902172434 /nfs/dbraw/zinc/17/24/34/902172434.db2.gz YIERNRKNYJHSJJ-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265591632 902172445 /nfs/dbraw/zinc/17/24/45/902172445.db2.gz YIERNRKNYJHSJJ-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001391712271 902419910 /nfs/dbraw/zinc/41/99/10/902419910.db2.gz CTKOWABPYWWOID-IAGOWNOFSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266009128 902745983 /nfs/dbraw/zinc/74/59/83/902745983.db2.gz NQKNXZJJZGPKQT-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266114416 902968566 /nfs/dbraw/zinc/96/85/66/902968566.db2.gz ZUJFLASSCCSRMM-QGZVFWFLSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266114416 902968575 /nfs/dbraw/zinc/96/85/75/902968575.db2.gz ZUJFLASSCCSRMM-QGZVFWFLSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC(C)C)C2CC2)CC1 ZINC001266174863 903061286 /nfs/dbraw/zinc/06/12/86/903061286.db2.gz XGLNJIYNDJHNTB-UHFFFAOYSA-N 2 1 319.493 1.958 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279576443 903335912 /nfs/dbraw/zinc/33/59/12/903335912.db2.gz NKJALDJCQJRIHX-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001282677910 905941717 /nfs/dbraw/zinc/94/17/17/905941717.db2.gz KECZQRXURNTSNE-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001282677910 905941727 /nfs/dbraw/zinc/94/17/27/905941727.db2.gz KECZQRXURNTSNE-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001282702330 905964173 /nfs/dbraw/zinc/96/41/73/905964173.db2.gz ZNLMCWOWFXTLJM-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001282702330 905964182 /nfs/dbraw/zinc/96/41/82/905964182.db2.gz ZNLMCWOWFXTLJM-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001283681316 907784656 /nfs/dbraw/zinc/78/46/56/907784656.db2.gz SUUUDWCNNPEHPG-JQHSSLGASA-N 2 1 315.461 1.954 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001284334395 908845570 /nfs/dbraw/zinc/84/55/70/908845570.db2.gz CTZYDNXQTUKPPZ-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394452973 909661024 /nfs/dbraw/zinc/66/10/24/909661024.db2.gz SLHRUFFTJTUTNJ-ZFWWWQNUSA-N 2 1 313.873 1.907 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001375156439 915133417 /nfs/dbraw/zinc/13/34/17/915133417.db2.gz XEJGLSRDRXYVFY-OAHLLOKOSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)CCC#N)cn2)CC1 ZINC000342284648 529778068 /nfs/dbraw/zinc/77/80/68/529778068.db2.gz RDYBUSGHCHNKNH-UHFFFAOYSA-N 2 1 316.453 1.648 20 30 DDEDMP C[N@H+](CCCO)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337196939 529893357 /nfs/dbraw/zinc/89/33/57/529893357.db2.gz WRELJHKXQXKLPX-UHFFFAOYSA-N 2 1 323.481 1.866 20 30 DDEDMP C[N@@H+](CCCO)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337196939 529893358 /nfs/dbraw/zinc/89/33/58/529893358.db2.gz WRELJHKXQXKLPX-UHFFFAOYSA-N 2 1 323.481 1.866 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000295016593 222797812 /nfs/dbraw/zinc/79/78/12/222797812.db2.gz NECYTUXQCRGFDB-CYBMUJFWSA-N 2 1 322.840 1.997 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl ZINC000295016593 222797817 /nfs/dbraw/zinc/79/78/17/222797817.db2.gz NECYTUXQCRGFDB-CYBMUJFWSA-N 2 1 322.840 1.997 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000066922146 353025257 /nfs/dbraw/zinc/02/52/57/353025257.db2.gz AAMBWZFKTXEUKA-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052644 353704774 /nfs/dbraw/zinc/70/47/74/353704774.db2.gz LNEISDCHNPWWRD-LSDHHAIUSA-N 2 1 306.454 1.836 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591733777 355373640 /nfs/dbraw/zinc/37/36/40/355373640.db2.gz ISHFMQNOCGITGF-KRWDZBQOSA-N 2 1 315.417 1.538 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595944652 356716886 /nfs/dbraw/zinc/71/68/86/356716886.db2.gz IDBRSRIYFCBTHU-HOCLYGCPSA-N 2 1 306.454 1.921 20 30 DDEDMP Cc1oc(C#N)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942752 357392782 /nfs/dbraw/zinc/39/27/82/357392782.db2.gz MYWMCHIUFNYJIG-LBPRGKRZSA-N 2 1 306.410 1.462 20 30 DDEDMP Cc1oc(C#N)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942752 357392786 /nfs/dbraw/zinc/39/27/86/357392786.db2.gz MYWMCHIUFNYJIG-LBPRGKRZSA-N 2 1 306.410 1.462 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000276662519 213030049 /nfs/dbraw/zinc/03/00/49/213030049.db2.gz WJTTZUWMPOIYNC-DLBZAZTESA-N 2 1 302.422 1.364 20 30 DDEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000329907316 223046218 /nfs/dbraw/zinc/04/62/18/223046218.db2.gz SVKXGXUCVHWKSS-RRFJBIMHSA-N 2 1 317.437 1.576 20 30 DDEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329907316 223046221 /nfs/dbraw/zinc/04/62/21/223046221.db2.gz SVKXGXUCVHWKSS-RRFJBIMHSA-N 2 1 317.437 1.576 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000272028192 209397604 /nfs/dbraw/zinc/39/76/04/209397604.db2.gz OJISPADRMQMWDC-DOTOQJQBSA-N 2 1 301.434 1.789 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000272028192 209397607 /nfs/dbraw/zinc/39/76/07/209397607.db2.gz OJISPADRMQMWDC-DOTOQJQBSA-N 2 1 301.434 1.789 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431184 781938102 /nfs/dbraw/zinc/93/81/02/781938102.db2.gz QQBDFHJGTVTKRZ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123595322 407333710 /nfs/dbraw/zinc/33/37/10/407333710.db2.gz LGMSPFIIXRQZDG-OIISXLGYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123595322 407333711 /nfs/dbraw/zinc/33/37/11/407333711.db2.gz LGMSPFIIXRQZDG-OIISXLGYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000123595322 407333712 /nfs/dbraw/zinc/33/37/12/407333712.db2.gz LGMSPFIIXRQZDG-OIISXLGYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000123595322 407333713 /nfs/dbraw/zinc/33/37/13/407333713.db2.gz LGMSPFIIXRQZDG-OIISXLGYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000170911964 407550709 /nfs/dbraw/zinc/55/07/09/407550709.db2.gz JFZLXLNILGEGOQ-UHFFFAOYSA-N 2 1 304.442 1.036 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245524729 408006170 /nfs/dbraw/zinc/00/61/70/408006170.db2.gz AQSCOLZLIUHWBX-DOTOQJQBSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245524729 408006174 /nfs/dbraw/zinc/00/61/74/408006174.db2.gz AQSCOLZLIUHWBX-DOTOQJQBSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245524729 408006178 /nfs/dbraw/zinc/00/61/78/408006178.db2.gz AQSCOLZLIUHWBX-DOTOQJQBSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245524729 408006180 /nfs/dbraw/zinc/00/61/80/408006180.db2.gz AQSCOLZLIUHWBX-DOTOQJQBSA-N 2 1 318.465 1.697 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272792955 408010217 /nfs/dbraw/zinc/01/02/17/408010217.db2.gz CLOFQEWFEFLDCH-BBRMVZONSA-N 2 1 304.438 1.456 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000181563777 408014953 /nfs/dbraw/zinc/01/49/53/408014953.db2.gz UNNXEFPAHPJFPJ-UHFFFAOYSA-N 2 1 317.437 1.437 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000290175346 409313356 /nfs/dbraw/zinc/31/33/56/409313356.db2.gz FKENAWLXPNZCRR-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285083087 409397456 /nfs/dbraw/zinc/39/74/56/409397456.db2.gz NKXAVHWYJYQODP-DZGCQCFKSA-N 2 1 306.458 1.363 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000303867540 409556833 /nfs/dbraw/zinc/55/68/33/409556833.db2.gz CYHXYDLXJNOETO-RDJZCZTQSA-N 2 1 318.465 1.980 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3nc(C)no3)C2)CC1 ZINC000329036324 410063493 /nfs/dbraw/zinc/06/34/93/410063493.db2.gz NAPNBONCYDDFDH-ZDUSSCGKSA-N 2 1 321.425 1.608 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3nc(C)no3)C2)CC1 ZINC000329036324 410063498 /nfs/dbraw/zinc/06/34/98/410063498.db2.gz NAPNBONCYDDFDH-ZDUSSCGKSA-N 2 1 321.425 1.608 20 30 DDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000423169160 227384714 /nfs/dbraw/zinc/38/47/14/227384714.db2.gz ZHAWAQPSOBYSLS-DJIMGWMZSA-N 2 1 303.381 1.944 20 30 DDEDMP C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261650136 222252470 /nfs/dbraw/zinc/25/24/70/222252470.db2.gz FBOQKEQOVUSYQH-AWEZNQCLSA-N 2 1 316.453 1.049 20 30 DDEDMP C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261650136 222252471 /nfs/dbraw/zinc/25/24/71/222252471.db2.gz FBOQKEQOVUSYQH-AWEZNQCLSA-N 2 1 316.453 1.049 20 30 DDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261860454 222260312 /nfs/dbraw/zinc/26/03/12/222260312.db2.gz ZFYSVURKMPXXLQ-XKQJLSEDSA-N 2 1 322.497 1.575 20 30 DDEDMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000262465861 222282285 /nfs/dbraw/zinc/28/22/85/222282285.db2.gz NOXLJNSYRBAYDE-HUUCEWRRSA-N 2 1 320.437 1.760 20 30 DDEDMP C[C@H]1C[NH+]=C(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)N1 ZINC000262677287 222290299 /nfs/dbraw/zinc/29/02/99/222290299.db2.gz ULOARXRDKOFTRP-HOCLYGCPSA-N 2 1 302.422 1.215 20 30 DDEDMP C[NH+]=C(NCc1cccn1C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262806486 222295191 /nfs/dbraw/zinc/29/51/91/222295191.db2.gz SVLVTAWHSJTODS-GOOCMWNKSA-N 2 1 303.454 1.705 20 30 DDEDMP CCc1cccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000264084656 222315713 /nfs/dbraw/zinc/31/57/13/222315713.db2.gz IUJAOPWMYYKORH-HNNXBMFYSA-N 2 1 317.481 1.859 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000267436255 222385169 /nfs/dbraw/zinc/38/51/69/222385169.db2.gz NXTDYFJJEIPRDT-SJORKVTESA-N 2 1 316.449 1.244 20 30 DDEDMP CCNC(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)=[NH+]CC ZINC000362752650 418759065 /nfs/dbraw/zinc/75/90/65/418759065.db2.gz IDWLYOXAOHFUPB-MRXNPFEDSA-N 2 1 303.454 1.869 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000424133553 228232875 /nfs/dbraw/zinc/23/28/75/228232875.db2.gz JRXSKAWVDQQMRW-KRWDZBQOSA-N 2 1 314.433 1.394 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424192484 420312184 /nfs/dbraw/zinc/31/21/84/420312184.db2.gz PATRFMDGMIAEEH-FZKCQIBNSA-N 2 1 306.454 1.871 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1c(C)noc1C ZINC000130727132 279303470 /nfs/dbraw/zinc/30/34/70/279303470.db2.gz KPWVHTVEJNZKLD-BXUZGUMPSA-N 2 1 307.442 1.784 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412092610 289033499 /nfs/dbraw/zinc/03/34/99/289033499.db2.gz RINKVUROXUQFAT-TVFCKZIOSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[N@H+]1CC#CC[NH+]1CCC[C@H](CO)[C@H]1C ZINC000412092610 289033501 /nfs/dbraw/zinc/03/35/01/289033501.db2.gz RINKVUROXUQFAT-TVFCKZIOSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC#CC[NH+]1CCC[C@H](CO)[C@H]1C ZINC000412092610 289033503 /nfs/dbraw/zinc/03/35/03/289033503.db2.gz RINKVUROXUQFAT-TVFCKZIOSA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[N@H+](CCc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696935 526313862 /nfs/dbraw/zinc/31/38/62/526313862.db2.gz WIIKQMGDZPLBPJ-GOSISDBHSA-N 2 1 315.461 1.914 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348317435 526597612 /nfs/dbraw/zinc/59/76/12/526597612.db2.gz IYHKCZLCKQPRBK-GJZGRUSLSA-N 2 1 324.469 1.488 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529814 526770726 /nfs/dbraw/zinc/77/07/26/526770726.db2.gz OAZVIKLYNBPRQT-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529814 526770731 /nfs/dbraw/zinc/77/07/31/526770731.db2.gz OAZVIKLYNBPRQT-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529814 526770733 /nfs/dbraw/zinc/77/07/33/526770733.db2.gz OAZVIKLYNBPRQT-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529814 526770737 /nfs/dbraw/zinc/77/07/37/526770737.db2.gz OAZVIKLYNBPRQT-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000491712852 526811632 /nfs/dbraw/zinc/81/16/32/526811632.db2.gz ZFUSGKJNYLLPDP-UHFFFAOYSA-N 2 1 308.470 1.363 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972408203 695241892 /nfs/dbraw/zinc/24/18/92/695241892.db2.gz JFBYSWAVNIZDIQ-SJLPKXTDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972408203 695241893 /nfs/dbraw/zinc/24/18/93/695241893.db2.gz JFBYSWAVNIZDIQ-SJLPKXTDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877405 695751877 /nfs/dbraw/zinc/75/18/77/695751877.db2.gz SGQGZAQCOGFZRX-HOTGVXAUSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974946258 695764317 /nfs/dbraw/zinc/76/43/17/695764317.db2.gz LKYSKHJBZUXYCT-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946258 695764319 /nfs/dbraw/zinc/76/43/19/695764319.db2.gz LKYSKHJBZUXYCT-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946258 695764321 /nfs/dbraw/zinc/76/43/21/695764321.db2.gz LKYSKHJBZUXYCT-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975269 695771645 /nfs/dbraw/zinc/77/16/45/695771645.db2.gz SWNKYDOABJQERJ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975269 695771647 /nfs/dbraw/zinc/77/16/47/695771647.db2.gz SWNKYDOABJQERJ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975269 695771648 /nfs/dbraw/zinc/77/16/48/695771648.db2.gz SWNKYDOABJQERJ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975269 695771650 /nfs/dbraw/zinc/77/16/50/695771650.db2.gz SWNKYDOABJQERJ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978245966 696349813 /nfs/dbraw/zinc/34/98/13/696349813.db2.gz GHGWSEJJTLZYFQ-XLAORIBOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978245966 696349816 /nfs/dbraw/zinc/34/98/16/696349816.db2.gz GHGWSEJJTLZYFQ-XLAORIBOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978245966 696349820 /nfs/dbraw/zinc/34/98/20/696349820.db2.gz GHGWSEJJTLZYFQ-XLAORIBOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978266624 696354456 /nfs/dbraw/zinc/35/44/56/696354456.db2.gz FYXVCKBBLPJMQH-ZJPYXAASSA-N 2 1 317.477 1.873 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978266624 696354459 /nfs/dbraw/zinc/35/44/59/696354459.db2.gz FYXVCKBBLPJMQH-ZJPYXAASSA-N 2 1 317.477 1.873 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978266624 696354463 /nfs/dbraw/zinc/35/44/63/696354463.db2.gz FYXVCKBBLPJMQH-ZJPYXAASSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1 ZINC000978287297 696358587 /nfs/dbraw/zinc/35/85/87/696358587.db2.gz BRRWDKHPKRFBRQ-QCODTGAPSA-N 2 1 314.433 1.773 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC000978287297 696358591 /nfs/dbraw/zinc/35/85/91/696358591.db2.gz BRRWDKHPKRFBRQ-QCODTGAPSA-N 2 1 314.433 1.773 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC000978287297 696358593 /nfs/dbraw/zinc/35/85/93/696358593.db2.gz BRRWDKHPKRFBRQ-QCODTGAPSA-N 2 1 314.433 1.773 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978317987 696363601 /nfs/dbraw/zinc/36/36/01/696363601.db2.gz FRRCIIIDPFACAL-OSYLJGHBSA-N 2 1 315.461 1.180 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978415544 696378932 /nfs/dbraw/zinc/37/89/32/696378932.db2.gz QPIIYKCHZICKJQ-OSYLJGHBSA-N 2 1 308.385 1.265 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978906111 696474117 /nfs/dbraw/zinc/47/41/17/696474117.db2.gz KYACPHCBVKFSOO-NNZMDNLPSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982059352 697018084 /nfs/dbraw/zinc/01/80/84/697018084.db2.gz WDQQZHVRPYSWLX-UHFFFAOYSA-N 2 1 302.422 1.564 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000982059352 697018087 /nfs/dbraw/zinc/01/80/87/697018087.db2.gz WDQQZHVRPYSWLX-UHFFFAOYSA-N 2 1 302.422 1.564 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982306244 697089009 /nfs/dbraw/zinc/08/90/09/697089009.db2.gz OPSKOQGACCZGGO-NXHRZFHOSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438595 697097972 /nfs/dbraw/zinc/09/79/72/697097972.db2.gz ZOKIEWSKGBNENM-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438595 697097974 /nfs/dbraw/zinc/09/79/74/697097974.db2.gz ZOKIEWSKGBNENM-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438595 697097977 /nfs/dbraw/zinc/09/79/77/697097977.db2.gz ZOKIEWSKGBNENM-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438595 697097980 /nfs/dbraw/zinc/09/79/80/697097980.db2.gz ZOKIEWSKGBNENM-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000178564830 697426148 /nfs/dbraw/zinc/42/61/48/697426148.db2.gz MNRNRQFUVDXHEA-CYBMUJFWSA-N 2 1 306.410 1.390 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000985795534 697575084 /nfs/dbraw/zinc/57/50/84/697575084.db2.gz ASAMFMDPAUEZPT-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000985795534 697575085 /nfs/dbraw/zinc/57/50/85/697575085.db2.gz ASAMFMDPAUEZPT-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000985795534 697575086 /nfs/dbraw/zinc/57/50/86/697575086.db2.gz ASAMFMDPAUEZPT-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000985795534 697575087 /nfs/dbraw/zinc/57/50/87/697575087.db2.gz ASAMFMDPAUEZPT-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCNC(=O)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000773736103 697799219 /nfs/dbraw/zinc/79/92/19/697799219.db2.gz URFRKBAOKYPGJX-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000303911518 698610993 /nfs/dbraw/zinc/61/09/93/698610993.db2.gz ZRCRITDBGOQSPS-IAGOWNOFSA-N 3 1 323.529 1.887 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303911518 698610994 /nfs/dbraw/zinc/61/09/94/698610994.db2.gz ZRCRITDBGOQSPS-IAGOWNOFSA-N 3 1 323.529 1.887 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000303911518 698610997 /nfs/dbraw/zinc/61/09/97/698610997.db2.gz ZRCRITDBGOQSPS-IAGOWNOFSA-N 3 1 323.529 1.887 20 30 DDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303984512 698612675 /nfs/dbraw/zinc/61/26/75/698612675.db2.gz SCACWFHBDUWJIT-CQSZACIVSA-N 2 1 306.410 1.533 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@@H](C)CC)CC2)CC1 ZINC000989734842 698745326 /nfs/dbraw/zinc/74/53/26/698745326.db2.gz HBEFRBIFLJWXQC-KRWDZBQOSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991047473 699216168 /nfs/dbraw/zinc/21/61/68/699216168.db2.gz YUWYOFZFBXZWOQ-ZHALLVOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991047473 699216169 /nfs/dbraw/zinc/21/61/69/699216169.db2.gz YUWYOFZFBXZWOQ-ZHALLVOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991047473 699216170 /nfs/dbraw/zinc/21/61/70/699216170.db2.gz YUWYOFZFBXZWOQ-ZHALLVOQSA-N 2 1 317.477 1.711 20 30 DDEDMP Cc1ccn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(=O)c1C#N ZINC000758245340 700693963 /nfs/dbraw/zinc/69/39/63/700693963.db2.gz ZTDFJNVSIKUIBC-MRXNPFEDSA-N 2 1 314.433 1.650 20 30 DDEDMP Cc1ccn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(=O)c1C#N ZINC000758245340 700693964 /nfs/dbraw/zinc/69/39/64/700693964.db2.gz ZTDFJNVSIKUIBC-MRXNPFEDSA-N 2 1 314.433 1.650 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000764660321 700981244 /nfs/dbraw/zinc/98/12/44/700981244.db2.gz RKGKKPCKOOHMDN-PBHICJAKSA-N 2 1 301.434 1.741 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000806905783 701453525 /nfs/dbraw/zinc/45/35/25/701453525.db2.gz XCRUXPWTDJUODS-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000867959145 701854427 /nfs/dbraw/zinc/85/44/27/701854427.db2.gz PNWDWZDHAAFGFW-RYRKJORJSA-N 2 1 324.428 1.488 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879567057 706719533 /nfs/dbraw/zinc/71/95/33/706719533.db2.gz LMDQFXOBVXMWBB-NUJGCVRESA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879567057 706719534 /nfs/dbraw/zinc/71/95/34/706719534.db2.gz LMDQFXOBVXMWBB-NUJGCVRESA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879567057 706719535 /nfs/dbraw/zinc/71/95/35/706719535.db2.gz LMDQFXOBVXMWBB-NUJGCVRESA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879567057 706719536 /nfs/dbraw/zinc/71/95/36/706719536.db2.gz LMDQFXOBVXMWBB-NUJGCVRESA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000879567059 706720179 /nfs/dbraw/zinc/72/01/79/706720179.db2.gz LMDQFXOBVXMWBB-SOLBZPMBSA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000879567059 706720181 /nfs/dbraw/zinc/72/01/81/706720181.db2.gz LMDQFXOBVXMWBB-SOLBZPMBSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000879567059 706720184 /nfs/dbraw/zinc/72/01/84/706720184.db2.gz LMDQFXOBVXMWBB-SOLBZPMBSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000879567059 706720187 /nfs/dbraw/zinc/72/01/87/706720187.db2.gz LMDQFXOBVXMWBB-SOLBZPMBSA-N 2 1 315.417 1.324 20 30 DDEDMP C#C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000849045489 703614934 /nfs/dbraw/zinc/61/49/34/703614934.db2.gz KNCGFCDLICJZQC-MRXNPFEDSA-N 2 1 300.406 1.197 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819284504 704100676 /nfs/dbraw/zinc/10/06/76/704100676.db2.gz RWMLLUNHHRIMSS-IBGZPJMESA-N 2 1 313.445 1.628 20 30 DDEDMP C#C[C@@H](CC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000854073235 704353331 /nfs/dbraw/zinc/35/33/31/704353331.db2.gz SSZRHDBAAGLWEI-HOTGVXAUSA-N 2 1 308.470 1.456 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cn1 ZINC000863552106 705955998 /nfs/dbraw/zinc/95/59/98/705955998.db2.gz VUARLIVGQHTLTL-OAHLLOKOSA-N 2 1 311.389 1.720 20 30 DDEDMP C=CC[C@@H](C(=O)OC)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000878321224 706358351 /nfs/dbraw/zinc/35/83/51/706358351.db2.gz DQDSSXTVCKMBDG-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000884454089 708303444 /nfs/dbraw/zinc/30/34/44/708303444.db2.gz FPIGQLMPBBHSEV-BBWFWOEESA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000884454089 708303447 /nfs/dbraw/zinc/30/34/47/708303447.db2.gz FPIGQLMPBBHSEV-BBWFWOEESA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000884454089 708303452 /nfs/dbraw/zinc/30/34/52/708303452.db2.gz FPIGQLMPBBHSEV-BBWFWOEESA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000884454089 708303453 /nfs/dbraw/zinc/30/34/53/708303453.db2.gz FPIGQLMPBBHSEV-BBWFWOEESA-N 2 1 318.465 1.400 20 30 DDEDMP Cc1[nH]c(C2CC[NH+](CCC(=O)N(C)CCC#N)CC2)[nH+]c1C ZINC000886662821 708809185 /nfs/dbraw/zinc/80/91/85/708809185.db2.gz MRAYCYHKLYZWAQ-UHFFFAOYSA-N 2 1 317.437 1.968 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000899814484 709204465 /nfs/dbraw/zinc/20/44/65/709204465.db2.gz HPSBOOGAKGNDGR-RDJZCZTQSA-N 2 1 312.417 1.216 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000899814484 709204467 /nfs/dbraw/zinc/20/44/67/709204467.db2.gz HPSBOOGAKGNDGR-RDJZCZTQSA-N 2 1 312.417 1.216 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900669232 709704179 /nfs/dbraw/zinc/70/41/79/709704179.db2.gz JLLSZAVJUYRFFG-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900669232 709704182 /nfs/dbraw/zinc/70/41/82/709704182.db2.gz JLLSZAVJUYRFFG-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000911847281 711029133 /nfs/dbraw/zinc/02/91/33/711029133.db2.gz UJWAHFDUAVSFNO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000913517572 713242705 /nfs/dbraw/zinc/24/27/05/713242705.db2.gz HBSHPIXMOSVVRZ-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCc1ccon1 ZINC000912506071 711357339 /nfs/dbraw/zinc/35/73/39/711357339.db2.gz HYKCNONJKFYNPG-UHFFFAOYSA-N 2 1 323.441 1.231 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=S)NC[C@H]2CCC[N@H+]2CC)C1 ZINC000905572829 712082563 /nfs/dbraw/zinc/08/25/63/712082563.db2.gz ZHPTZRMZCYTKFM-HUUCEWRRSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=S)NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000905572829 712082567 /nfs/dbraw/zinc/08/25/67/712082567.db2.gz ZHPTZRMZCYTKFM-HUUCEWRRSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=S)NC[C@H]2CCC[NH+]2CC)C1 ZINC000905572829 712082569 /nfs/dbraw/zinc/08/25/69/712082569.db2.gz ZHPTZRMZCYTKFM-HUUCEWRRSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=S)NC[C@H]2CCC[NH+]2CC)C1 ZINC000905572829 712082571 /nfs/dbraw/zinc/08/25/71/712082571.db2.gz ZHPTZRMZCYTKFM-HUUCEWRRSA-N 2 1 308.495 1.032 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C(C)C ZINC000914125799 713345846 /nfs/dbraw/zinc/34/58/46/713345846.db2.gz NRHOADMAHMWMGD-JKSUJKDBSA-N 2 1 308.470 1.688 20 30 DDEDMP C#CCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000914161886 713350978 /nfs/dbraw/zinc/35/09/78/713350978.db2.gz IORYEPWNXFUQJW-OAHLLOKOSA-N 2 1 318.465 1.210 20 30 DDEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1csc(C#N)c1 ZINC000921655436 713832848 /nfs/dbraw/zinc/83/28/48/713832848.db2.gz ZZNMINHKTIUKDK-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1csc(C#N)c1 ZINC000921655436 713832852 /nfs/dbraw/zinc/83/28/52/713832852.db2.gz ZZNMINHKTIUKDK-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000922738091 714132558 /nfs/dbraw/zinc/13/25/58/714132558.db2.gz REJRPDUUIDOZAV-MQVJKMGUSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000923057315 714224368 /nfs/dbraw/zinc/22/43/68/714224368.db2.gz HLHZRODQBBWYGF-UHFFFAOYSA-N 2 1 308.470 1.361 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000923424568 714351760 /nfs/dbraw/zinc/35/17/60/714351760.db2.gz GHBULBWTUKATFP-MGPQQGTHSA-N 2 1 313.323 1.661 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000923424568 714351762 /nfs/dbraw/zinc/35/17/62/714351762.db2.gz GHBULBWTUKATFP-MGPQQGTHSA-N 2 1 313.323 1.661 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC[C@H]1C[NH3+] ZINC000923492805 714376615 /nfs/dbraw/zinc/37/66/15/714376615.db2.gz OVPNVPLAPMMILE-YCPHGPKFSA-N 2 1 303.406 1.215 20 30 DDEDMP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)nc1 ZINC000925892475 714957310 /nfs/dbraw/zinc/95/73/10/714957310.db2.gz BNTSAFBJAQITGN-BZUAXINKSA-N 2 1 315.421 1.112 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960289298 716480891 /nfs/dbraw/zinc/48/08/91/716480891.db2.gz MEKAFBBMWVNXMO-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960289298 716480893 /nfs/dbraw/zinc/48/08/93/716480893.db2.gz MEKAFBBMWVNXMO-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960289298 716480895 /nfs/dbraw/zinc/48/08/95/716480895.db2.gz MEKAFBBMWVNXMO-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961263295 716887705 /nfs/dbraw/zinc/88/77/05/716887705.db2.gz SFQDVNWGSRYWTI-IRXDYDNUSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961278368 716892491 /nfs/dbraw/zinc/89/24/91/716892491.db2.gz CAGVSINYOQMISX-MSOLQXFVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940744186 716941023 /nfs/dbraw/zinc/94/10/23/716941023.db2.gz HGGHYQLRQHZOGF-IRXDYDNUSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940811212 716970856 /nfs/dbraw/zinc/97/08/56/716970856.db2.gz CHWSXRWXEDDLNA-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940811212 716970857 /nfs/dbraw/zinc/97/08/57/716970857.db2.gz CHWSXRWXEDDLNA-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C(C)C)CC1(C)C ZINC000940811212 716970858 /nfs/dbraw/zinc/97/08/58/716970858.db2.gz CHWSXRWXEDDLNA-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C(C)C)CC1(C)C ZINC000940811212 716970859 /nfs/dbraw/zinc/97/08/59/716970859.db2.gz CHWSXRWXEDDLNA-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840405 716984765 /nfs/dbraw/zinc/98/47/65/716984765.db2.gz VRRFEIWBYSLCGV-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840405 716984769 /nfs/dbraw/zinc/98/47/69/716984769.db2.gz VRRFEIWBYSLCGV-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840405 716984774 /nfs/dbraw/zinc/98/47/74/716984774.db2.gz VRRFEIWBYSLCGV-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840405 716984779 /nfs/dbraw/zinc/98/47/79/716984779.db2.gz VRRFEIWBYSLCGV-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#C)CC2(C)C)CC1 ZINC000941237201 717136355 /nfs/dbraw/zinc/13/63/55/717136355.db2.gz JONVZKFIOWGPDZ-QGZVFWFLSA-N 2 1 315.461 1.182 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000964422561 717257618 /nfs/dbraw/zinc/25/76/18/717257618.db2.gz OOFJUTPQIMKARJ-OFLPRAFFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000964422561 717257621 /nfs/dbraw/zinc/25/76/21/717257621.db2.gz OOFJUTPQIMKARJ-OFLPRAFFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000963600032 717841440 /nfs/dbraw/zinc/84/14/40/717841440.db2.gz XEEJKENDFHRODR-UHFFFAOYSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)C[C@@H]2C)CC1 ZINC000945184633 718417173 /nfs/dbraw/zinc/41/71/73/718417173.db2.gz WZLBRCFAQNYLRB-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645332 718864624 /nfs/dbraw/zinc/86/46/24/718864624.db2.gz RQVNXFLJYYBFEC-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645332 718864629 /nfs/dbraw/zinc/86/46/29/718864629.db2.gz RQVNXFLJYYBFEC-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645332 718864633 /nfs/dbraw/zinc/86/46/33/718864633.db2.gz RQVNXFLJYYBFEC-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946858960 718928334 /nfs/dbraw/zinc/92/83/34/718928334.db2.gz HUMZJTDTIGUUMK-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946858960 718928337 /nfs/dbraw/zinc/92/83/37/718928337.db2.gz HUMZJTDTIGUUMK-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946858960 718928340 /nfs/dbraw/zinc/92/83/40/718928340.db2.gz HUMZJTDTIGUUMK-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC#CC)CC1 ZINC000948448397 719504667 /nfs/dbraw/zinc/50/46/67/719504667.db2.gz BCKPGHGWXXQVIR-MSOLQXFVSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC#CC)CC1 ZINC000948448397 719504671 /nfs/dbraw/zinc/50/46/71/719504671.db2.gz BCKPGHGWXXQVIR-MSOLQXFVSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC#CC)CC1 ZINC000948448397 719504675 /nfs/dbraw/zinc/50/46/75/719504675.db2.gz BCKPGHGWXXQVIR-MSOLQXFVSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC#CC)CC1 ZINC000948448397 719504679 /nfs/dbraw/zinc/50/46/79/719504679.db2.gz BCKPGHGWXXQVIR-MSOLQXFVSA-N 2 1 315.461 1.420 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948776067 719701072 /nfs/dbraw/zinc/70/10/72/719701072.db2.gz YNADNZLKMLTIIV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948776067 719701075 /nfs/dbraw/zinc/70/10/75/719701075.db2.gz YNADNZLKMLTIIV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948776067 719701079 /nfs/dbraw/zinc/70/10/79/719701079.db2.gz YNADNZLKMLTIIV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC000968925501 719874868 /nfs/dbraw/zinc/87/48/68/719874868.db2.gz FPWDPPLHBXCLGM-CVEARBPZSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969682426 720248437 /nfs/dbraw/zinc/24/84/37/720248437.db2.gz VEIRLNPYLLLFOT-CVEARBPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969682426 720248441 /nfs/dbraw/zinc/24/84/41/720248441.db2.gz VEIRLNPYLLLFOT-CVEARBPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969682426 720248444 /nfs/dbraw/zinc/24/84/44/720248444.db2.gz VEIRLNPYLLLFOT-CVEARBPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420324 720754759 /nfs/dbraw/zinc/75/47/59/720754759.db2.gz ODFGXDUEIJRDSV-DZGCQCFKSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971561852 721355068 /nfs/dbraw/zinc/35/50/68/721355068.db2.gz CEHDSXBFDXFTIW-LSDHHAIUSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971561852 721355071 /nfs/dbraw/zinc/35/50/71/721355071.db2.gz CEHDSXBFDXFTIW-LSDHHAIUSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021741003 733502004 /nfs/dbraw/zinc/50/20/04/733502004.db2.gz XXZCHYNUYYBBOV-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023374529 735204034 /nfs/dbraw/zinc/20/40/34/735204034.db2.gz SYZQBXPQSQMVAM-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023374529 735204035 /nfs/dbraw/zinc/20/40/35/735204035.db2.gz SYZQBXPQSQMVAM-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023374529 735204036 /nfs/dbraw/zinc/20/40/36/735204036.db2.gz SYZQBXPQSQMVAM-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023457225 735248254 /nfs/dbraw/zinc/24/82/54/735248254.db2.gz KGADNHVAWANOFU-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457225 735248255 /nfs/dbraw/zinc/24/82/55/735248255.db2.gz KGADNHVAWANOFU-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457225 735248259 /nfs/dbraw/zinc/24/82/59/735248259.db2.gz KGADNHVAWANOFU-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024021666 735608405 /nfs/dbraw/zinc/60/84/05/735608405.db2.gz HUQMNZKKIYGLSF-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CCC2)C1 ZINC001024021666 735608407 /nfs/dbraw/zinc/60/84/07/735608407.db2.gz HUQMNZKKIYGLSF-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104680446 736509579 /nfs/dbraw/zinc/50/95/79/736509579.db2.gz QPLLXANFNNGMLD-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105112 739040234 /nfs/dbraw/zinc/04/02/34/739040234.db2.gz OIOSTIHQGNMJMR-OAHLLOKOSA-N 2 1 303.406 1.559 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105112 739040236 /nfs/dbraw/zinc/04/02/36/739040236.db2.gz OIOSTIHQGNMJMR-OAHLLOKOSA-N 2 1 303.406 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041372897 739111436 /nfs/dbraw/zinc/11/14/36/739111436.db2.gz SJBDYSZLEZXEEO-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041372897 739111448 /nfs/dbraw/zinc/11/14/48/739111448.db2.gz SJBDYSZLEZXEEO-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041372897 739111449 /nfs/dbraw/zinc/11/14/49/739111449.db2.gz SJBDYSZLEZXEEO-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028234539 739207558 /nfs/dbraw/zinc/20/75/58/739207558.db2.gz BESBRPAEYHLIIX-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028266819 739255394 /nfs/dbraw/zinc/25/53/94/739255394.db2.gz BRQCDSZXBNPSSD-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028266819 739255395 /nfs/dbraw/zinc/25/53/95/739255395.db2.gz BRQCDSZXBNPSSD-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587980 739703511 /nfs/dbraw/zinc/70/35/11/739703511.db2.gz UKTWQHQKFFFWIJ-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587980 739703515 /nfs/dbraw/zinc/70/35/15/739703515.db2.gz UKTWQHQKFFFWIJ-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028587980 739703518 /nfs/dbraw/zinc/70/35/18/739703518.db2.gz UKTWQHQKFFFWIJ-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028681378 739911780 /nfs/dbraw/zinc/91/17/80/739911780.db2.gz VEHTUBYENBSMEQ-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870736 740126165 /nfs/dbraw/zinc/12/61/65/740126165.db2.gz VLCKKAGBJBCKQG-KRWDZBQOSA-N 2 1 313.445 1.823 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798694 740550929 /nfs/dbraw/zinc/55/09/29/740550929.db2.gz KYSAZSJDYMXDSO-GVDBMIGSSA-N 2 1 303.450 1.437 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836624 740776906 /nfs/dbraw/zinc/77/69/06/740776906.db2.gz BCGVMNGHZISFJG-XHSDSOJGSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836624 740776911 /nfs/dbraw/zinc/77/69/11/740776911.db2.gz BCGVMNGHZISFJG-XHSDSOJGSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836624 740776915 /nfs/dbraw/zinc/77/69/15/740776915.db2.gz BCGVMNGHZISFJG-XHSDSOJGSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836624 740776918 /nfs/dbraw/zinc/77/69/18/740776918.db2.gz BCGVMNGHZISFJG-XHSDSOJGSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001037939523 751577865 /nfs/dbraw/zinc/57/78/65/751577865.db2.gz GYWNQZLKOJHARQ-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993282 740934430 /nfs/dbraw/zinc/93/44/30/740934430.db2.gz IOSMHUSXJANQRA-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088211693 741108098 /nfs/dbraw/zinc/10/80/98/741108098.db2.gz VPESUFYAOCDACS-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088211693 741108101 /nfs/dbraw/zinc/10/81/01/741108101.db2.gz VPESUFYAOCDACS-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001088428019 741486730 /nfs/dbraw/zinc/48/67/30/741486730.db2.gz JIIFLWQOYPVGTO-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001088428019 741486733 /nfs/dbraw/zinc/48/67/33/741486733.db2.gz JIIFLWQOYPVGTO-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001075887402 741748261 /nfs/dbraw/zinc/74/82/61/741748261.db2.gz LGNHPJFHQBPAGA-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001075887402 741748264 /nfs/dbraw/zinc/74/82/64/741748264.db2.gz LGNHPJFHQBPAGA-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001075887402 741748266 /nfs/dbraw/zinc/74/82/66/741748266.db2.gz LGNHPJFHQBPAGA-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075904783 741882684 /nfs/dbraw/zinc/88/26/84/741882684.db2.gz MMJPVHYZLFPLMK-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075904783 741882688 /nfs/dbraw/zinc/88/26/88/741882688.db2.gz MMJPVHYZLFPLMK-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075904783 741882692 /nfs/dbraw/zinc/88/26/92/741882692.db2.gz MMJPVHYZLFPLMK-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821907 742460150 /nfs/dbraw/zinc/46/01/50/742460150.db2.gz SNZLQCGRWXHRJK-XPKDYRNWSA-N 2 1 302.422 1.519 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821907 742460151 /nfs/dbraw/zinc/46/01/51/742460151.db2.gz SNZLQCGRWXHRJK-XPKDYRNWSA-N 2 1 302.422 1.519 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177033 742586496 /nfs/dbraw/zinc/58/64/96/742586496.db2.gz GYXCJPRVOTWKJB-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177033 742586499 /nfs/dbraw/zinc/58/64/99/742586499.db2.gz GYXCJPRVOTWKJB-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177033 742586501 /nfs/dbraw/zinc/58/65/01/742586501.db2.gz GYXCJPRVOTWKJB-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927937 751744790 /nfs/dbraw/zinc/74/47/90/751744790.db2.gz ZWPIAVDEDOEYNM-FOLVSLTJSA-N 2 1 300.406 1.076 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927937 751744795 /nfs/dbraw/zinc/74/47/95/751744795.db2.gz ZWPIAVDEDOEYNM-FOLVSLTJSA-N 2 1 300.406 1.076 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077133329 743267677 /nfs/dbraw/zinc/26/76/77/743267677.db2.gz MPEFBZQZMDQQDE-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077133329 743267678 /nfs/dbraw/zinc/26/76/78/743267678.db2.gz MPEFBZQZMDQQDE-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077133329 743267682 /nfs/dbraw/zinc/26/76/82/743267682.db2.gz MPEFBZQZMDQQDE-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181670800 743295319 /nfs/dbraw/zinc/29/53/19/743295319.db2.gz GLTQTOUICNUWED-ZHALLVOQSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182630238 743676020 /nfs/dbraw/zinc/67/60/20/743676020.db2.gz VGRNOXGBGNVYPK-JFIYKMOQSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065595 743692683 /nfs/dbraw/zinc/69/26/83/743692683.db2.gz BUJRWBVQNFHMAG-LBPRGKRZSA-N 2 1 318.259 1.474 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183577077 743862788 /nfs/dbraw/zinc/86/27/88/743862788.db2.gz XMHOXRGMQLGGGD-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183577077 743862791 /nfs/dbraw/zinc/86/27/91/743862791.db2.gz XMHOXRGMQLGGGD-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001186349033 744380975 /nfs/dbraw/zinc/38/09/75/744380975.db2.gz KKFGMBJTNFLTLJ-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088952777 744399037 /nfs/dbraw/zinc/39/90/37/744399037.db2.gz JKJNRQLTIQTQDO-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690067 744748630 /nfs/dbraw/zinc/74/86/30/744748630.db2.gz GWCPJPWMGUZMHJ-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189913143 745029856 /nfs/dbraw/zinc/02/98/56/745029856.db2.gz MZDOATBUEFMMLL-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913143 745029865 /nfs/dbraw/zinc/02/98/65/745029865.db2.gz MZDOATBUEFMMLL-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913143 745029868 /nfs/dbraw/zinc/02/98/68/745029868.db2.gz MZDOATBUEFMMLL-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084976 745106980 /nfs/dbraw/zinc/10/69/80/745106980.db2.gz VBHKHFBKRINILT-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084976 745106985 /nfs/dbraw/zinc/10/69/85/745106985.db2.gz VBHKHFBKRINILT-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084976 745106990 /nfs/dbraw/zinc/10/69/90/745106990.db2.gz VBHKHFBKRINILT-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190654476 745286021 /nfs/dbraw/zinc/28/60/21/745286021.db2.gz KBXUXHRGMKOSEP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190654476 745286025 /nfs/dbraw/zinc/28/60/25/745286025.db2.gz KBXUXHRGMKOSEP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190654476 745286029 /nfs/dbraw/zinc/28/60/29/745286029.db2.gz KBXUXHRGMKOSEP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000992924708 745294604 /nfs/dbraw/zinc/29/46/04/745294604.db2.gz XUWWQTQTBUSBNB-IXDOHACOSA-N 2 1 316.449 1.984 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561744 745550153 /nfs/dbraw/zinc/55/01/53/745550153.db2.gz SVQUECLNUMROJJ-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191987016 745658372 /nfs/dbraw/zinc/65/83/72/745658372.db2.gz CEEQASUIEHCABE-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191987016 745658377 /nfs/dbraw/zinc/65/83/77/745658377.db2.gz CEEQASUIEHCABE-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2ccnc2C)C1 ZINC001192858598 745919020 /nfs/dbraw/zinc/91/90/20/745919020.db2.gz QZUNDQOPSWLMCF-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192858598 745919021 /nfs/dbraw/zinc/91/90/21/745919021.db2.gz QZUNDQOPSWLMCF-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001099275079 746116359 /nfs/dbraw/zinc/11/63/59/746116359.db2.gz AJTODUCOZHZYHI-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001099275079 746116365 /nfs/dbraw/zinc/11/63/65/746116365.db2.gz AJTODUCOZHZYHI-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193579771 746137623 /nfs/dbraw/zinc/13/76/23/746137623.db2.gz PBNQFDSVZSYSQB-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001194119535 746279407 /nfs/dbraw/zinc/27/94/07/746279407.db2.gz XETIZNFREFGDTR-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001194119535 746279409 /nfs/dbraw/zinc/27/94/09/746279409.db2.gz XETIZNFREFGDTR-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001194119535 746279410 /nfs/dbraw/zinc/27/94/10/746279410.db2.gz XETIZNFREFGDTR-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001194119535 746279412 /nfs/dbraw/zinc/27/94/12/746279412.db2.gz XETIZNFREFGDTR-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106881790 746559361 /nfs/dbraw/zinc/55/93/61/746559361.db2.gz KBLITAHBFCRPSK-BPLDGKMQSA-N 2 1 313.873 1.765 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031580198 747096215 /nfs/dbraw/zinc/09/62/15/747096215.db2.gz QMUVQCRJEROIHR-KRWDZBQOSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492734 747102857 /nfs/dbraw/zinc/10/28/57/747102857.db2.gz NJXLWOACQOLDLE-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492734 747102859 /nfs/dbraw/zinc/10/28/59/747102859.db2.gz NJXLWOACQOLDLE-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492734 747102861 /nfs/dbraw/zinc/10/28/61/747102861.db2.gz NJXLWOACQOLDLE-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001197568816 747203284 /nfs/dbraw/zinc/20/32/84/747203284.db2.gz SXBBTDYSNWPWKP-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007494357 752172545 /nfs/dbraw/zinc/17/25/45/752172545.db2.gz XEUGUMTULZVJNW-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007494357 752172547 /nfs/dbraw/zinc/17/25/47/752172547.db2.gz XEUGUMTULZVJNW-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007494357 752172549 /nfs/dbraw/zinc/17/25/49/752172549.db2.gz XEUGUMTULZVJNW-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007494357 752172552 /nfs/dbraw/zinc/17/25/52/752172552.db2.gz XEUGUMTULZVJNW-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985175 747664585 /nfs/dbraw/zinc/66/45/85/747664585.db2.gz WTTFNWFPXBTFAI-GDBMZVCRSA-N 2 1 317.433 1.580 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212300223 747812267 /nfs/dbraw/zinc/81/22/67/747812267.db2.gz XKAMTIJGRZZNBC-YLFCFFPRSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212300223 747812274 /nfs/dbraw/zinc/81/22/74/747812274.db2.gz XKAMTIJGRZZNBC-YLFCFFPRSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001212300223 747812280 /nfs/dbraw/zinc/81/22/80/747812280.db2.gz XKAMTIJGRZZNBC-YLFCFFPRSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200480327 748255062 /nfs/dbraw/zinc/25/50/62/748255062.db2.gz ZPZDYKLYNYFVMR-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200477367 748266017 /nfs/dbraw/zinc/26/60/17/748266017.db2.gz AFBIKEKJQIIXOU-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201052376 748407898 /nfs/dbraw/zinc/40/78/98/748407898.db2.gz DSUJPEDVGYZNQW-HNNXBMFYSA-N 2 1 302.422 1.917 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001124838786 748536747 /nfs/dbraw/zinc/53/67/47/748536747.db2.gz ZNTZZDBWDSNDQC-INIZCTEOSA-N 2 1 319.836 1.492 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202196366 748709207 /nfs/dbraw/zinc/70/92/07/748709207.db2.gz AVKOJMBLGWGENF-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033211302 748941902 /nfs/dbraw/zinc/94/19/02/748941902.db2.gz JNLLFARHCBAPFG-LSDHHAIUSA-N 2 1 314.433 1.379 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033211302 748941907 /nfs/dbraw/zinc/94/19/07/748941907.db2.gz JNLLFARHCBAPFG-LSDHHAIUSA-N 2 1 314.433 1.379 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033211302 748941909 /nfs/dbraw/zinc/94/19/09/748941909.db2.gz JNLLFARHCBAPFG-LSDHHAIUSA-N 2 1 314.433 1.379 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC#CCOC ZINC001110736516 748961559 /nfs/dbraw/zinc/96/15/59/748961559.db2.gz AIWLYTRCADWFHP-OAGGEKHMSA-N 2 1 321.465 1.088 20 30 DDEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001110736516 748961564 /nfs/dbraw/zinc/96/15/64/748961564.db2.gz AIWLYTRCADWFHP-OAGGEKHMSA-N 2 1 321.465 1.088 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001110736516 748961572 /nfs/dbraw/zinc/96/15/72/748961572.db2.gz AIWLYTRCADWFHP-OAGGEKHMSA-N 2 1 321.465 1.088 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001110736516 748961579 /nfs/dbraw/zinc/96/15/79/748961579.db2.gz AIWLYTRCADWFHP-OAGGEKHMSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995914752 749296593 /nfs/dbraw/zinc/29/65/93/749296593.db2.gz FUBJRFLEZRGTKM-UONOGXRCSA-N 2 1 300.406 1.220 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191166 749410578 /nfs/dbraw/zinc/41/05/78/749410578.db2.gz UXIHOWASXIMBEN-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191166 749410585 /nfs/dbraw/zinc/41/05/85/749410585.db2.gz UXIHOWASXIMBEN-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996309231 749502032 /nfs/dbraw/zinc/50/20/32/749502032.db2.gz HOJNTCPOKQVCQQ-HOCLYGCPSA-N 2 1 316.449 1.767 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825691 749935422 /nfs/dbraw/zinc/93/54/22/749935422.db2.gz HEMWJIRGHABPMO-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825691 749935425 /nfs/dbraw/zinc/93/54/25/749935425.db2.gz HEMWJIRGHABPMO-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825691 749935428 /nfs/dbraw/zinc/93/54/28/749935428.db2.gz HEMWJIRGHABPMO-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825691 749935430 /nfs/dbraw/zinc/93/54/30/749935430.db2.gz HEMWJIRGHABPMO-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961142 750256198 /nfs/dbraw/zinc/25/61/98/750256198.db2.gz SNGIFLOYFTUNEH-OAGGEKHMSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001034719079 750766259 /nfs/dbraw/zinc/76/62/59/750766259.db2.gz PYDLFSBPAFVNGV-BZUAXINKSA-N 2 1 316.449 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H](C)CC ZINC001032453923 750882344 /nfs/dbraw/zinc/88/23/44/750882344.db2.gz VJAFVZJIBREZOP-QZWWFDLISA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)CC ZINC001032453923 750882355 /nfs/dbraw/zinc/88/23/55/750882355.db2.gz VJAFVZJIBREZOP-QZWWFDLISA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](C)CC ZINC001032453923 750882363 /nfs/dbraw/zinc/88/23/63/750882363.db2.gz VJAFVZJIBREZOP-QZWWFDLISA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](C)CC ZINC001032453923 750882368 /nfs/dbraw/zinc/88/23/68/750882368.db2.gz VJAFVZJIBREZOP-QZWWFDLISA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008345184 752683779 /nfs/dbraw/zinc/68/37/79/752683779.db2.gz TYRVYGYBXAJEMX-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008345184 752683785 /nfs/dbraw/zinc/68/37/85/752683785.db2.gz TYRVYGYBXAJEMX-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006120742 753616755 /nfs/dbraw/zinc/61/67/55/753616755.db2.gz RDXMSRNRXWIZOE-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC2(CCOCC2)C1 ZINC001089967082 753802601 /nfs/dbraw/zinc/80/26/01/753802601.db2.gz BCCYXLXKKVKNQO-MRXNPFEDSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001078228275 753863623 /nfs/dbraw/zinc/86/36/23/753863623.db2.gz KBZOARUJQXIMDJ-IAGOWNOFSA-N 2 1 317.433 1.099 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001739008 754481206 /nfs/dbraw/zinc/48/12/06/754481206.db2.gz PYXQYUXXWVENII-SFHVURJKSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001079846671 755607466 /nfs/dbraw/zinc/60/74/66/755607466.db2.gz XSCOYLQHOZEMMR-KFWWJZLASA-N 2 1 300.406 1.220 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001079846671 755607468 /nfs/dbraw/zinc/60/74/68/755607468.db2.gz XSCOYLQHOZEMMR-KFWWJZLASA-N 2 1 300.406 1.220 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850660 755621473 /nfs/dbraw/zinc/62/14/73/755621473.db2.gz QGFZCUTYKTVTSC-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850660 755621476 /nfs/dbraw/zinc/62/14/76/755621476.db2.gz QGFZCUTYKTVTSC-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850660 755621482 /nfs/dbraw/zinc/62/14/82/755621482.db2.gz QGFZCUTYKTVTSC-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850660 755621487 /nfs/dbraw/zinc/62/14/87/755621487.db2.gz QGFZCUTYKTVTSC-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080449786 755910205 /nfs/dbraw/zinc/91/02/05/755910205.db2.gz ZHJBJRXHUFKUIM-CPUCHLNUSA-N 2 1 309.429 1.269 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080449786 755910207 /nfs/dbraw/zinc/91/02/07/755910207.db2.gz ZHJBJRXHUFKUIM-CPUCHLNUSA-N 2 1 309.429 1.269 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080449786 755910210 /nfs/dbraw/zinc/91/02/10/755910210.db2.gz ZHJBJRXHUFKUIM-CPUCHLNUSA-N 2 1 309.429 1.269 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080449786 755910213 /nfs/dbraw/zinc/91/02/13/755910213.db2.gz ZHJBJRXHUFKUIM-CPUCHLNUSA-N 2 1 309.429 1.269 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080557169 755979548 /nfs/dbraw/zinc/97/95/48/755979548.db2.gz ISIWXXNMOCELPV-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557169 755979552 /nfs/dbraw/zinc/97/95/52/755979552.db2.gz ISIWXXNMOCELPV-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557169 755979554 /nfs/dbraw/zinc/97/95/54/755979554.db2.gz ISIWXXNMOCELPV-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080624126 756007540 /nfs/dbraw/zinc/00/75/40/756007540.db2.gz RQMIFMZQWXGVDQ-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC001080998141 756181136 /nfs/dbraw/zinc/18/11/36/756181136.db2.gz URPWHIJSFBBCJZ-SJLPKXTDSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015595668 756396904 /nfs/dbraw/zinc/39/69/04/756396904.db2.gz CUINANXMKCLLCO-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015595668 756396907 /nfs/dbraw/zinc/39/69/07/756396907.db2.gz CUINANXMKCLLCO-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015595668 756396912 /nfs/dbraw/zinc/39/69/12/756396912.db2.gz CUINANXMKCLLCO-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015595668 756396916 /nfs/dbraw/zinc/39/69/16/756396916.db2.gz CUINANXMKCLLCO-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699286 756454091 /nfs/dbraw/zinc/45/40/91/756454091.db2.gz NQZFPVJDXCVHNW-ZJIFWQFVSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699286 756454094 /nfs/dbraw/zinc/45/40/94/756454094.db2.gz NQZFPVJDXCVHNW-ZJIFWQFVSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699286 756454097 /nfs/dbraw/zinc/45/40/97/756454097.db2.gz NQZFPVJDXCVHNW-ZJIFWQFVSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016009993 756718996 /nfs/dbraw/zinc/71/89/96/756718996.db2.gz XIWJKUOPJUCLFG-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016009993 756719000 /nfs/dbraw/zinc/71/90/00/756719000.db2.gz XIWJKUOPJUCLFG-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258070 756879808 /nfs/dbraw/zinc/87/98/08/756879808.db2.gz ZWPIXHCEMCZHIS-QWHCGFSZSA-N 2 1 318.446 1.262 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258070 756879813 /nfs/dbraw/zinc/87/98/13/756879813.db2.gz ZWPIXHCEMCZHIS-QWHCGFSZSA-N 2 1 318.446 1.262 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258070 756879818 /nfs/dbraw/zinc/87/98/18/756879818.db2.gz ZWPIXHCEMCZHIS-QWHCGFSZSA-N 2 1 318.446 1.262 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258070 756879826 /nfs/dbraw/zinc/87/98/26/756879826.db2.gz ZWPIXHCEMCZHIS-QWHCGFSZSA-N 2 1 318.446 1.262 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016670737 757252840 /nfs/dbraw/zinc/25/28/40/757252840.db2.gz RSUPJFMFPOFWLH-DLBZAZTESA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016670737 757252847 /nfs/dbraw/zinc/25/28/47/757252847.db2.gz RSUPJFMFPOFWLH-DLBZAZTESA-N 2 1 315.461 1.465 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016987637 757533081 /nfs/dbraw/zinc/53/30/81/757533081.db2.gz YASWBJRALZCOKD-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484248 757606629 /nfs/dbraw/zinc/60/66/29/757606629.db2.gz LGIOWMXBVGOGAQ-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545689 757655261 /nfs/dbraw/zinc/65/52/61/757655261.db2.gz VCELSROPNNJRLG-KURKYZTESA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706096 757670142 /nfs/dbraw/zinc/67/01/42/757670142.db2.gz OUFFYNZBZHKIDW-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706096 757670147 /nfs/dbraw/zinc/67/01/47/757670147.db2.gz OUFFYNZBZHKIDW-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663224 757752117 /nfs/dbraw/zinc/75/21/17/757752117.db2.gz RYQAWWQEXRSXSV-IIDMSEBBSA-N 2 1 323.456 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663224 757752123 /nfs/dbraw/zinc/75/21/23/757752123.db2.gz RYQAWWQEXRSXSV-IIDMSEBBSA-N 2 1 323.456 1.918 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663224 757752127 /nfs/dbraw/zinc/75/21/27/757752127.db2.gz RYQAWWQEXRSXSV-IIDMSEBBSA-N 2 1 323.456 1.918 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663224 757752132 /nfs/dbraw/zinc/75/21/32/757752132.db2.gz RYQAWWQEXRSXSV-IIDMSEBBSA-N 2 1 323.456 1.918 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701162 757792438 /nfs/dbraw/zinc/79/24/38/757792438.db2.gz RAIAPVSTAOBETB-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701162 757792447 /nfs/dbraw/zinc/79/24/47/757792447.db2.gz RAIAPVSTAOBETB-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCF)C[C@H]32)CC1 ZINC001084851128 757976912 /nfs/dbraw/zinc/97/69/12/757976912.db2.gz NYMIECJCSUMCKA-IAGOWNOFSA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCF)CC2)CC1 ZINC001052959546 758013587 /nfs/dbraw/zinc/01/35/87/758013587.db2.gz WFUMBKJZQKTXCF-MRXNPFEDSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050027 758109087 /nfs/dbraw/zinc/10/90/87/758109087.db2.gz BGDAJZKPZHPJMS-MSOLQXFVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018050945 758506097 /nfs/dbraw/zinc/50/60/97/758506097.db2.gz CCWFHRMMTIKZHI-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018050945 758506107 /nfs/dbraw/zinc/50/61/07/758506107.db2.gz CCWFHRMMTIKZHI-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018050945 758506118 /nfs/dbraw/zinc/50/61/18/758506118.db2.gz CCWFHRMMTIKZHI-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018050945 758506124 /nfs/dbraw/zinc/50/61/24/758506124.db2.gz CCWFHRMMTIKZHI-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053798934 758826781 /nfs/dbraw/zinc/82/67/81/758826781.db2.gz HMEUHQITYMOLLX-HOTGVXAUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053798934 758826787 /nfs/dbraw/zinc/82/67/87/758826787.db2.gz HMEUHQITYMOLLX-HOTGVXAUSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197713 759283843 /nfs/dbraw/zinc/28/38/43/759283843.db2.gz HBBSLAMWSCXPNF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197713 759283846 /nfs/dbraw/zinc/28/38/46/759283846.db2.gz HBBSLAMWSCXPNF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197713 759283850 /nfs/dbraw/zinc/28/38/50/759283850.db2.gz HBBSLAMWSCXPNF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197926 759283914 /nfs/dbraw/zinc/28/39/14/759283914.db2.gz LVILBLLPWUBTIS-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197926 759283920 /nfs/dbraw/zinc/28/39/20/759283920.db2.gz LVILBLLPWUBTIS-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197926 759283924 /nfs/dbraw/zinc/28/39/24/759283924.db2.gz LVILBLLPWUBTIS-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730820 767861923 /nfs/dbraw/zinc/86/19/23/767861923.db2.gz GIRGUOVDIWOBTG-QGZVFWFLSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730820 767861929 /nfs/dbraw/zinc/86/19/29/767861929.db2.gz GIRGUOVDIWOBTG-QGZVFWFLSA-N 2 1 311.389 1.648 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001019384179 759879115 /nfs/dbraw/zinc/87/91/15/759879115.db2.gz VVLCQJBFEDZOGS-KBPBESRZSA-N 2 1 322.840 1.697 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020064 761458685 /nfs/dbraw/zinc/45/86/85/761458685.db2.gz JNRZUSAMIPVTOU-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038865356 761487948 /nfs/dbraw/zinc/48/79/48/761487948.db2.gz JWYJMPQUSGDEGW-INIZCTEOSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038865356 761487953 /nfs/dbraw/zinc/48/79/53/761487953.db2.gz JWYJMPQUSGDEGW-INIZCTEOSA-N 2 1 311.389 1.648 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086365796 761496349 /nfs/dbraw/zinc/49/63/49/761496349.db2.gz DEABNVMHHJIPQW-QBPKDAKJSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001039041475 761682081 /nfs/dbraw/zinc/68/20/81/761682081.db2.gz DJIBHTCRQFKDQR-ZBFHGGJFSA-N 2 1 309.429 1.270 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001001279824 762724064 /nfs/dbraw/zinc/72/40/64/762724064.db2.gz SNZZZIACTDLCFQ-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001001279824 762724067 /nfs/dbraw/zinc/72/40/67/762724067.db2.gz SNZZZIACTDLCFQ-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404879 762832252 /nfs/dbraw/zinc/83/22/52/762832252.db2.gz MNEHMRJCTZWZEM-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041139382 762833531 /nfs/dbraw/zinc/83/35/31/762833531.db2.gz GESGOSBAJPSJCT-GOEBONIOSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041139382 762833536 /nfs/dbraw/zinc/83/35/36/762833536.db2.gz GESGOSBAJPSJCT-GOEBONIOSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041139382 762833543 /nfs/dbraw/zinc/83/35/43/762833543.db2.gz GESGOSBAJPSJCT-GOEBONIOSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041139382 762833550 /nfs/dbraw/zinc/83/35/50/762833550.db2.gz GESGOSBAJPSJCT-GOEBONIOSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001424761 762851759 /nfs/dbraw/zinc/85/17/59/762851759.db2.gz LKCFOKPRKXNYEG-SJORKVTESA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050069199 763086455 /nfs/dbraw/zinc/08/64/55/763086455.db2.gz ZSUKNDJNDWGZSK-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050069199 763086459 /nfs/dbraw/zinc/08/64/59/763086459.db2.gz ZSUKNDJNDWGZSK-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050069199 763086463 /nfs/dbraw/zinc/08/64/63/763086463.db2.gz ZSUKNDJNDWGZSK-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041667409 763209501 /nfs/dbraw/zinc/20/95/01/763209501.db2.gz DORYUWFKCZJMNL-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041667409 763209505 /nfs/dbraw/zinc/20/95/05/763209505.db2.gz DORYUWFKCZJMNL-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041667409 763209507 /nfs/dbraw/zinc/20/95/07/763209507.db2.gz DORYUWFKCZJMNL-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CC)C3)C2)CC1 ZINC001041844427 763399782 /nfs/dbraw/zinc/39/97/82/763399782.db2.gz IBCFLYSMHWJWBI-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046954114 768148907 /nfs/dbraw/zinc/14/89/07/768148907.db2.gz QDWBMIZNKQUEEM-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046954114 768148911 /nfs/dbraw/zinc/14/89/11/768148911.db2.gz QDWBMIZNKQUEEM-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046954114 768148915 /nfs/dbraw/zinc/14/89/15/768148915.db2.gz QDWBMIZNKQUEEM-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042133051 763689208 /nfs/dbraw/zinc/68/92/08/763689208.db2.gz JECNJHKUVCDAOZ-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156053 763720869 /nfs/dbraw/zinc/72/08/69/763720869.db2.gz GJCOKSHZOXLMCC-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156053 763720877 /nfs/dbraw/zinc/72/08/77/763720877.db2.gz GJCOKSHZOXLMCC-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156052 763720943 /nfs/dbraw/zinc/72/09/43/763720943.db2.gz GJCOKSHZOXLMCC-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156052 763720951 /nfs/dbraw/zinc/72/09/51/763720951.db2.gz GJCOKSHZOXLMCC-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156971 763722561 /nfs/dbraw/zinc/72/25/61/763722561.db2.gz LNIHPEOKYXRWSA-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156971 763722565 /nfs/dbraw/zinc/72/25/65/763722565.db2.gz LNIHPEOKYXRWSA-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968749 768159124 /nfs/dbraw/zinc/15/91/24/768159124.db2.gz NWGNKIQUUHEPBR-AWEZNQCLSA-N 2 1 315.408 1.588 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042189038 763756602 /nfs/dbraw/zinc/75/66/02/763756602.db2.gz ZPDMYRLVOUKJHF-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486991 765878275 /nfs/dbraw/zinc/87/82/75/765878275.db2.gz ROJDZZZEEJHODI-KRWDZBQOSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052552086 765949522 /nfs/dbraw/zinc/94/95/22/765949522.db2.gz SYMVLPGEWUBUSH-HNNXBMFYSA-N 2 1 323.400 1.485 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045475492 766332836 /nfs/dbraw/zinc/33/28/36/766332836.db2.gz IZBKMXPSEFVWDS-SJORKVTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045479182 766337109 /nfs/dbraw/zinc/33/71/09/766337109.db2.gz VRISPIQULHHCRO-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1ccccc1 ZINC001129790613 766995436 /nfs/dbraw/zinc/99/54/36/766995436.db2.gz DJUXZGNJQAXTST-SFHVURJKSA-N 2 1 313.445 1.423 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1ccccc1 ZINC001129790613 766995440 /nfs/dbraw/zinc/99/54/40/766995440.db2.gz DJUXZGNJQAXTST-SFHVURJKSA-N 2 1 313.445 1.423 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046562839 767691665 /nfs/dbraw/zinc/69/16/65/767691665.db2.gz SDCKDRQXOJTSGS-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046562839 767691669 /nfs/dbraw/zinc/69/16/69/767691669.db2.gz SDCKDRQXOJTSGS-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046562839 767691673 /nfs/dbraw/zinc/69/16/73/767691673.db2.gz SDCKDRQXOJTSGS-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046696581 767813873 /nfs/dbraw/zinc/81/38/73/767813873.db2.gz VCAVUCDXDGGIQD-QGZVFWFLSA-N 2 1 319.453 1.215 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105923 768632803 /nfs/dbraw/zinc/63/28/03/768632803.db2.gz OLVVPBGARLBANK-CVEARBPZSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105923 768632810 /nfs/dbraw/zinc/63/28/10/768632810.db2.gz OLVVPBGARLBANK-CVEARBPZSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132977167 769378766 /nfs/dbraw/zinc/37/87/66/769378766.db2.gz JXTKJFPBCBUCIX-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001048512111 769473090 /nfs/dbraw/zinc/47/30/90/769473090.db2.gz VBSYHBVADAAWJV-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001048512111 769473098 /nfs/dbraw/zinc/47/30/98/769473098.db2.gz VBSYHBVADAAWJV-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048512111 769473105 /nfs/dbraw/zinc/47/31/05/769473105.db2.gz VBSYHBVADAAWJV-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048512111 769473110 /nfs/dbraw/zinc/47/31/10/769473110.db2.gz VBSYHBVADAAWJV-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863830 770008545 /nfs/dbraw/zinc/00/85/45/770008545.db2.gz MKVLADPLUAIVJP-XHSDSOJGSA-N 2 1 312.417 1.174 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863830 770008560 /nfs/dbraw/zinc/00/85/60/770008560.db2.gz MKVLADPLUAIVJP-XHSDSOJGSA-N 2 1 312.417 1.174 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(=C)C)C[C@@H]2C1 ZINC001048870014 770019941 /nfs/dbraw/zinc/01/99/41/770019941.db2.gz KVMZANFVSLCDML-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(=C)C)C[C@@H]2C1 ZINC001048870014 770019954 /nfs/dbraw/zinc/01/99/54/770019954.db2.gz KVMZANFVSLCDML-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(=C)C)C[C@@H]2C1 ZINC001048870014 770019967 /nfs/dbraw/zinc/01/99/67/770019967.db2.gz KVMZANFVSLCDML-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(=C)C)C[C@@H]2C1 ZINC001048870014 770019978 /nfs/dbraw/zinc/01/99/78/770019978.db2.gz KVMZANFVSLCDML-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 ZINC001048874522 770028763 /nfs/dbraw/zinc/02/87/63/770028763.db2.gz HABLLVHLXGVJMU-LXTVHRRPSA-N 2 1 300.406 1.480 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 ZINC001048874522 770028779 /nfs/dbraw/zinc/02/87/79/770028779.db2.gz HABLLVHLXGVJMU-LXTVHRRPSA-N 2 1 300.406 1.480 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006208 770239663 /nfs/dbraw/zinc/23/96/63/770239663.db2.gz QXJCUPSQYVXHFQ-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006208 770239668 /nfs/dbraw/zinc/23/96/68/770239668.db2.gz QXJCUPSQYVXHFQ-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006208 770239672 /nfs/dbraw/zinc/23/96/72/770239672.db2.gz QXJCUPSQYVXHFQ-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006208 770239676 /nfs/dbraw/zinc/23/96/76/770239676.db2.gz QXJCUPSQYVXHFQ-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001133853852 770341049 /nfs/dbraw/zinc/34/10/49/770341049.db2.gz RBOHJKRNPAPGHZ-HNNXBMFYSA-N 2 1 317.408 1.225 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001049515412 770958284 /nfs/dbraw/zinc/95/82/84/770958284.db2.gz OVVKZHIRWCNOGX-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049515412 770958294 /nfs/dbraw/zinc/95/82/94/770958294.db2.gz OVVKZHIRWCNOGX-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001049515412 770958304 /nfs/dbraw/zinc/95/83/04/770958304.db2.gz OVVKZHIRWCNOGX-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147212058 773070071 /nfs/dbraw/zinc/07/00/71/773070071.db2.gz MFPHECJKJDOPFN-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212058 773070076 /nfs/dbraw/zinc/07/00/76/773070076.db2.gz MFPHECJKJDOPFN-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147212058 773070081 /nfs/dbraw/zinc/07/00/81/773070081.db2.gz MFPHECJKJDOPFN-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC)CC1 ZINC001074103201 773633449 /nfs/dbraw/zinc/63/34/49/773633449.db2.gz YOGWCWPZXGMMBK-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091783044 773818854 /nfs/dbraw/zinc/81/88/54/773818854.db2.gz RJDOMWWYJGZEQC-KONPQCLYSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091783044 773818860 /nfs/dbraw/zinc/81/88/60/773818860.db2.gz RJDOMWWYJGZEQC-KONPQCLYSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091783044 773818866 /nfs/dbraw/zinc/81/88/66/773818866.db2.gz RJDOMWWYJGZEQC-KONPQCLYSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091783044 773818873 /nfs/dbraw/zinc/81/88/73/773818873.db2.gz RJDOMWWYJGZEQC-KONPQCLYSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092299552 774051962 /nfs/dbraw/zinc/05/19/62/774051962.db2.gz BBEHTYMDMDDSQA-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092602524 774185344 /nfs/dbraw/zinc/18/53/44/774185344.db2.gz BAVDGFTUWUEQGB-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092602524 774185345 /nfs/dbraw/zinc/18/53/45/774185345.db2.gz BAVDGFTUWUEQGB-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092602524 774185346 /nfs/dbraw/zinc/18/53/46/774185346.db2.gz BAVDGFTUWUEQGB-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539245 775021004 /nfs/dbraw/zinc/02/10/04/775021004.db2.gz ZSBYQMISHNGXIX-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCF)C2)CC1 ZINC001036902761 776075983 /nfs/dbraw/zinc/07/59/83/776075983.db2.gz PMADKSGCVKYHEJ-IRXDYDNUSA-N 2 1 321.440 1.224 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729628 776479232 /nfs/dbraw/zinc/47/92/32/776479232.db2.gz GWCBPHMYGPGPKI-UHFFFAOYSA-N 2 1 316.449 1.904 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001095057765 777046388 /nfs/dbraw/zinc/04/63/88/777046388.db2.gz UNLDQOBZAVGWFS-KKUMJFAQSA-N 2 1 322.840 1.913 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417205 777626177 /nfs/dbraw/zinc/62/61/77/777626177.db2.gz JFWYYRCRVAZAQU-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102045038 777827422 /nfs/dbraw/zinc/82/74/22/777827422.db2.gz PGTGGDFMUGXSST-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045038 777827432 /nfs/dbraw/zinc/82/74/32/777827432.db2.gz PGTGGDFMUGXSST-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045038 777827443 /nfs/dbraw/zinc/82/74/43/777827443.db2.gz PGTGGDFMUGXSST-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(Cl)CN1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150552851 778068220 /nfs/dbraw/zinc/06/82/20/778068220.db2.gz HFQBVLQAVWBGRR-CQSZACIVSA-N 2 1 317.861 1.288 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369632 778101485 /nfs/dbraw/zinc/10/14/85/778101485.db2.gz AUZUOXLIKAYSGW-GZBFAFLISA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369632 778101490 /nfs/dbraw/zinc/10/14/90/778101490.db2.gz AUZUOXLIKAYSGW-GZBFAFLISA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369632 778101496 /nfs/dbraw/zinc/10/14/96/778101496.db2.gz AUZUOXLIKAYSGW-GZBFAFLISA-N 2 1 313.873 1.765 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612447 778239904 /nfs/dbraw/zinc/23/99/04/778239904.db2.gz HUKHBRMGTVOYGG-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925139 779214940 /nfs/dbraw/zinc/21/49/40/779214940.db2.gz CGWLCSOYNFQFPT-ULQDDVLXSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180136370 779619204 /nfs/dbraw/zinc/61/92/04/779619204.db2.gz ZUQBDJWZQVGBEJ-PMPSAXMXSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001267184752 837490530 /nfs/dbraw/zinc/49/05/30/837490530.db2.gz FEHXYQBKYKCZNV-RYQLBKOJSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001271796683 844115372 /nfs/dbraw/zinc/11/53/72/844115372.db2.gz IGXKDVYLFHEMJN-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266496042 836347146 /nfs/dbraw/zinc/34/71/46/836347146.db2.gz ZOJMXDJVPZPZOO-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266527517 836417463 /nfs/dbraw/zinc/41/74/63/836417463.db2.gz XMLFAJTTWKNJHR-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266537471 836434119 /nfs/dbraw/zinc/43/41/19/836434119.db2.gz MHYAJSIXMIUIDG-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266904650 837037559 /nfs/dbraw/zinc/03/75/59/837037559.db2.gz NBATZTCWJSTWHJ-IMSKVBIZSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266904650 837037569 /nfs/dbraw/zinc/03/75/69/837037569.db2.gz NBATZTCWJSTWHJ-IMSKVBIZSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266904650 837037580 /nfs/dbraw/zinc/03/75/80/837037580.db2.gz NBATZTCWJSTWHJ-IMSKVBIZSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CCC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001266972552 837132406 /nfs/dbraw/zinc/13/24/06/837132406.db2.gz IUCSITGSWDFOBQ-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267543880 838278095 /nfs/dbraw/zinc/27/80/95/838278095.db2.gz GYJVPQMQKKWQCK-CVEARBPZSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267549479 838287077 /nfs/dbraw/zinc/28/70/77/838287077.db2.gz XICARSMZUSKDRF-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267549479 838287082 /nfs/dbraw/zinc/28/70/82/838287082.db2.gz XICARSMZUSKDRF-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267549479 838287086 /nfs/dbraw/zinc/28/70/86/838287086.db2.gz XICARSMZUSKDRF-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267565087 838315623 /nfs/dbraw/zinc/31/56/23/838315623.db2.gz YCXGMROJBNGSEO-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267565087 838315627 /nfs/dbraw/zinc/31/56/27/838315627.db2.gz YCXGMROJBNGSEO-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267764480 838902552 /nfs/dbraw/zinc/90/25/52/838902552.db2.gz VSVBKLJQCKUVES-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267764480 838902559 /nfs/dbraw/zinc/90/25/59/838902559.db2.gz VSVBKLJQCKUVES-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267764480 838902567 /nfs/dbraw/zinc/90/25/67/838902567.db2.gz VSVBKLJQCKUVES-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267817745 839024092 /nfs/dbraw/zinc/02/40/92/839024092.db2.gz RIHCVKUBLRENMJ-LSDHHAIUSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001267852768 839081493 /nfs/dbraw/zinc/08/14/93/839081493.db2.gz GYFUJKQNGGSFMX-FUHWJXTLSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001268222333 839854860 /nfs/dbraw/zinc/85/48/60/839854860.db2.gz YIGDRJUJKCIDQO-IRXDYDNUSA-N 2 1 307.482 1.862 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001269699686 841947894 /nfs/dbraw/zinc/94/78/94/841947894.db2.gz HREVIGMHSJCQKJ-LJQANCHMSA-N 2 1 317.477 1.810 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001269799228 842057446 /nfs/dbraw/zinc/05/74/46/842057446.db2.gz SUTXFPAROXIKJY-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001269943030 842170083 /nfs/dbraw/zinc/17/00/83/842170083.db2.gz FUVSKYMBTFXGGZ-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001269943030 842170086 /nfs/dbraw/zinc/17/00/86/842170086.db2.gz FUVSKYMBTFXGGZ-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001269971424 842189536 /nfs/dbraw/zinc/18/95/36/842189536.db2.gz GYOWCXVRVJFMQB-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001270656050 842780618 /nfs/dbraw/zinc/78/06/18/842780618.db2.gz ARTRDTJLHRXQKK-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001270656050 842780624 /nfs/dbraw/zinc/78/06/24/842780624.db2.gz ARTRDTJLHRXQKK-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001270656050 842780626 /nfs/dbraw/zinc/78/06/26/842780626.db2.gz ARTRDTJLHRXQKK-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001270965761 843091913 /nfs/dbraw/zinc/09/19/13/843091913.db2.gz OIHQQJVPYDQGFR-WBVHZDCISA-N 2 1 311.445 1.518 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001154875585 861530929 /nfs/dbraw/zinc/53/09/29/861530929.db2.gz CSHSRYGGKJFOIH-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154875585 861530939 /nfs/dbraw/zinc/53/09/39/861530939.db2.gz CSHSRYGGKJFOIH-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001272503459 846229972 /nfs/dbraw/zinc/22/99/72/846229972.db2.gz DCOKEDCVFOLLKY-DLBZAZTESA-N 2 1 323.481 1.426 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001272533978 846283036 /nfs/dbraw/zinc/28/30/36/846283036.db2.gz LRGRGMVEFGSHML-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291346 848268244 /nfs/dbraw/zinc/26/82/44/848268244.db2.gz VCNOOPMLQIJEBW-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)C1 ZINC001273145409 848575159 /nfs/dbraw/zinc/57/51/59/848575159.db2.gz WPLCNGOJQKYFHU-BRWVUGGUSA-N 2 1 318.465 1.697 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)C1 ZINC001273145409 848575169 /nfs/dbraw/zinc/57/51/69/848575169.db2.gz WPLCNGOJQKYFHU-BRWVUGGUSA-N 2 1 318.465 1.697 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)C1 ZINC001273145409 848575174 /nfs/dbraw/zinc/57/51/74/848575174.db2.gz WPLCNGOJQKYFHU-BRWVUGGUSA-N 2 1 318.465 1.697 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)C1 ZINC001273145409 848575179 /nfs/dbraw/zinc/57/51/79/848575179.db2.gz WPLCNGOJQKYFHU-BRWVUGGUSA-N 2 1 318.465 1.697 20 30 DDEDMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001275697193 853587569 /nfs/dbraw/zinc/58/75/69/853587569.db2.gz GJEAJVQGZDGTDN-DOTOQJQBSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001275697193 853587575 /nfs/dbraw/zinc/58/75/75/853587575.db2.gz GJEAJVQGZDGTDN-DOTOQJQBSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001275697193 853587585 /nfs/dbraw/zinc/58/75/85/853587585.db2.gz GJEAJVQGZDGTDN-DOTOQJQBSA-N 2 1 301.434 1.749 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cc(CN(C)C)on1 ZINC001275865344 853886429 /nfs/dbraw/zinc/88/64/29/853886429.db2.gz ISEVULDMFCCZCD-CYBMUJFWSA-N 2 1 308.426 1.753 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001275865344 853886433 /nfs/dbraw/zinc/88/64/33/853886433.db2.gz ISEVULDMFCCZCD-CYBMUJFWSA-N 2 1 308.426 1.753 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001275865344 853886439 /nfs/dbraw/zinc/88/64/39/853886439.db2.gz ISEVULDMFCCZCD-CYBMUJFWSA-N 2 1 308.426 1.753 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001072752180 857670187 /nfs/dbraw/zinc/67/01/87/857670187.db2.gz YDUCTRSQOKSEBW-ZIAGYGMSSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752180 857670190 /nfs/dbraw/zinc/67/01/90/857670190.db2.gz YDUCTRSQOKSEBW-ZIAGYGMSSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072752180 857670195 /nfs/dbraw/zinc/67/01/95/857670195.db2.gz YDUCTRSQOKSEBW-ZIAGYGMSSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072752180 857670199 /nfs/dbraw/zinc/67/01/99/857670199.db2.gz YDUCTRSQOKSEBW-ZIAGYGMSSA-N 2 1 311.857 1.613 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157118253 863596622 /nfs/dbraw/zinc/59/66/22/863596622.db2.gz AQCYYXLDAHMUSD-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001157118253 863596627 /nfs/dbraw/zinc/59/66/27/863596627.db2.gz AQCYYXLDAHMUSD-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157118851 863596828 /nfs/dbraw/zinc/59/68/28/863596828.db2.gz NCYKWPPGWDLAAZ-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153425013 863882410 /nfs/dbraw/zinc/88/24/10/863882410.db2.gz VYRWUKNUDASCAL-OAHLLOKOSA-N 2 1 321.469 1.461 20 30 DDEDMP C=CCO[C@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001330655111 864512185 /nfs/dbraw/zinc/51/21/85/864512185.db2.gz NKYSKCPOAICSIN-OALUTQOASA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001330655111 864512193 /nfs/dbraw/zinc/51/21/93/864512193.db2.gz NKYSKCPOAICSIN-OALUTQOASA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001330655111 864512199 /nfs/dbraw/zinc/51/21/99/864512199.db2.gz NKYSKCPOAICSIN-OALUTQOASA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001330655111 864512205 /nfs/dbraw/zinc/51/22/05/864512205.db2.gz NKYSKCPOAICSIN-OALUTQOASA-N 2 1 316.445 1.900 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872649 864952332 /nfs/dbraw/zinc/95/23/32/864952332.db2.gz UARWRUVKQCBFGY-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872649 864952338 /nfs/dbraw/zinc/95/23/38/864952338.db2.gz UARWRUVKQCBFGY-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001331358253 865029658 /nfs/dbraw/zinc/02/96/58/865029658.db2.gz BFNXWOUZOVSAKP-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001331470247 865104256 /nfs/dbraw/zinc/10/42/56/865104256.db2.gz OCGRHDFKEDCFTI-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001331926564 865435811 /nfs/dbraw/zinc/43/58/11/865435811.db2.gz KWROHCPQOYQVRG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001320049028 866446189 /nfs/dbraw/zinc/44/61/89/866446189.db2.gz AYCFNTLWVOMLRJ-MSOLQXFVSA-N 2 1 313.445 1.355 20 30 DDEDMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001320049028 866446194 /nfs/dbraw/zinc/44/61/94/866446194.db2.gz AYCFNTLWVOMLRJ-MSOLQXFVSA-N 2 1 313.445 1.355 20 30 DDEDMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001320049028 866446218 /nfs/dbraw/zinc/44/62/18/866446218.db2.gz AYCFNTLWVOMLRJ-MSOLQXFVSA-N 2 1 313.445 1.355 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001324439645 867278945 /nfs/dbraw/zinc/27/89/45/867278945.db2.gz KQLOKQQEHMXAAW-OAHLLOKOSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001324439645 867278962 /nfs/dbraw/zinc/27/89/62/867278962.db2.gz KQLOKQQEHMXAAW-OAHLLOKOSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243464 868073072 /nfs/dbraw/zinc/07/30/72/868073072.db2.gz FYCBSUCAKLYPOR-WMLDXEAASA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322243464 868073082 /nfs/dbraw/zinc/07/30/82/868073082.db2.gz FYCBSUCAKLYPOR-WMLDXEAASA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001322243464 868073091 /nfs/dbraw/zinc/07/30/91/868073091.db2.gz FYCBSUCAKLYPOR-WMLDXEAASA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001325562139 868138399 /nfs/dbraw/zinc/13/83/99/868138399.db2.gz RBHJHHAJXNUYQJ-HOTGVXAUSA-N 2 1 307.482 1.672 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531399 869264312 /nfs/dbraw/zinc/26/43/12/869264312.db2.gz GZGATLMDEPNHPH-IAGOWNOFSA-N 2 1 317.477 1.760 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001317175238 870416673 /nfs/dbraw/zinc/41/66/73/870416673.db2.gz ZATIGPTVDBRSRY-JKSUJKDBSA-N 2 1 311.445 1.660 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001317175238 870416689 /nfs/dbraw/zinc/41/66/89/870416689.db2.gz ZATIGPTVDBRSRY-JKSUJKDBSA-N 2 1 311.445 1.660 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317212992 870479804 /nfs/dbraw/zinc/47/98/04/870479804.db2.gz OLSKXSCIAKVSQW-UHDSXZAQSA-N 2 1 307.482 1.974 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317270319 870561179 /nfs/dbraw/zinc/56/11/79/870561179.db2.gz VNUWMZMBPINAFF-DZGCQCFKSA-N 2 1 320.437 1.051 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001339897998 870768319 /nfs/dbraw/zinc/76/83/19/870768319.db2.gz JKMKYLJRQAPGGX-INIZCTEOSA-N 2 1 308.470 1.810 20 30 DDEDMP C=C(C)C[NH2+][C@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317410823 870780312 /nfs/dbraw/zinc/78/03/12/870780312.db2.gz MRZJQBIKIVBHGQ-CQSZACIVSA-N 2 1 313.405 1.941 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204875840 871272732 /nfs/dbraw/zinc/27/27/32/871272732.db2.gz GHUHZQCJUOXWPD-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875840 871272744 /nfs/dbraw/zinc/27/27/44/871272744.db2.gz GHUHZQCJUOXWPD-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001340825160 871373782 /nfs/dbraw/zinc/37/37/82/871373782.db2.gz WNGHZDCMAMRNOG-MRXNPFEDSA-N 2 1 310.486 1.060 20 30 DDEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001317708456 871432059 /nfs/dbraw/zinc/43/20/59/871432059.db2.gz BENIYWJKWGQAGU-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001317708456 871432070 /nfs/dbraw/zinc/43/20/70/871432070.db2.gz BENIYWJKWGQAGU-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001317708456 871432080 /nfs/dbraw/zinc/43/20/80/871432080.db2.gz BENIYWJKWGQAGU-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001317708456 871432084 /nfs/dbraw/zinc/43/20/84/871432084.db2.gz BENIYWJKWGQAGU-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519145 871602474 /nfs/dbraw/zinc/60/24/74/871602474.db2.gz WZLVDXFQKBUDGW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(=C)C)C1 ZINC001208352935 874049973 /nfs/dbraw/zinc/04/99/73/874049973.db2.gz SJWFDUDJYAEOIF-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(=C)C)C1 ZINC001208352935 874049990 /nfs/dbraw/zinc/04/99/90/874049990.db2.gz SJWFDUDJYAEOIF-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001378128801 874203779 /nfs/dbraw/zinc/20/37/79/874203779.db2.gz FQQPZMZDTPYQAV-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001378128801 874203792 /nfs/dbraw/zinc/20/37/92/874203792.db2.gz FQQPZMZDTPYQAV-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001378128801 874203802 /nfs/dbraw/zinc/20/38/02/874203802.db2.gz FQQPZMZDTPYQAV-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001378128801 874203817 /nfs/dbraw/zinc/20/38/17/874203817.db2.gz FQQPZMZDTPYQAV-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378242431 874521020 /nfs/dbraw/zinc/52/10/20/874521020.db2.gz HIFMXYAIVVYQNK-NWDGAFQWSA-N 2 1 318.259 1.474 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209241884 874752829 /nfs/dbraw/zinc/75/28/29/874752829.db2.gz GOHCDSNXKSKMMD-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209241884 874752837 /nfs/dbraw/zinc/75/28/37/874752837.db2.gz GOHCDSNXKSKMMD-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001213442869 875939205 /nfs/dbraw/zinc/93/92/05/875939205.db2.gz XSVKVZMYTOFDGK-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001213442869 875939210 /nfs/dbraw/zinc/93/92/10/875939210.db2.gz XSVKVZMYTOFDGK-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001213442869 875939214 /nfs/dbraw/zinc/93/92/14/875939214.db2.gz XSVKVZMYTOFDGK-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCNCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC001353569648 877425382 /nfs/dbraw/zinc/42/53/82/877425382.db2.gz GPKVKIWPTGCSQM-HNNXBMFYSA-N 2 1 315.417 1.569 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC001353569648 877425387 /nfs/dbraw/zinc/42/53/87/877425387.db2.gz GPKVKIWPTGCSQM-HNNXBMFYSA-N 2 1 315.417 1.569 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC001353569648 877425392 /nfs/dbraw/zinc/42/53/92/877425392.db2.gz GPKVKIWPTGCSQM-HNNXBMFYSA-N 2 1 315.417 1.569 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221710941 880016573 /nfs/dbraw/zinc/01/65/73/880016573.db2.gz QMGKHBFAMJQVNN-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001221710941 880016591 /nfs/dbraw/zinc/01/65/91/880016591.db2.gz QMGKHBFAMJQVNN-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001221972628 880172189 /nfs/dbraw/zinc/17/21/89/880172189.db2.gz BCXXCHWQKOGUSF-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]21 ZINC001222958924 880762215 /nfs/dbraw/zinc/76/22/15/880762215.db2.gz CVLDBESYLWEVJM-ZACQAIPSSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001223610710 881025939 /nfs/dbraw/zinc/02/59/39/881025939.db2.gz IWVSDNPTHOTXPH-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001230359471 884443660 /nfs/dbraw/zinc/44/36/60/884443660.db2.gz BFQKKFFKFPOYDM-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230717131 884793255 /nfs/dbraw/zinc/79/32/55/884793255.db2.gz QUVLRNQLVYXCDW-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230717131 884793264 /nfs/dbraw/zinc/79/32/64/884793264.db2.gz QUVLRNQLVYXCDW-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717131 884793266 /nfs/dbraw/zinc/79/32/66/884793266.db2.gz QUVLRNQLVYXCDW-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717131 884793274 /nfs/dbraw/zinc/79/32/74/884793274.db2.gz QUVLRNQLVYXCDW-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP N#Cc1ccnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC001363204848 885709260 /nfs/dbraw/zinc/70/92/60/885709260.db2.gz XNCSKYLXFLMDSU-UHFFFAOYSA-N 2 1 300.406 1.497 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001277779909 886858962 /nfs/dbraw/zinc/85/89/62/886858962.db2.gz WAULASACGOASSY-MRXNPFEDSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCN1CC[C@@]2(C[N@@H+](C[C@@H](C)[NH3+])C[C@@H]2c2ccccc2)C1=O ZINC001235499050 888682542 /nfs/dbraw/zinc/68/25/42/888682542.db2.gz XQXORFZLILVYMR-SUMDDJOVSA-N 2 1 313.445 1.838 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001316649522 913569419 /nfs/dbraw/zinc/56/94/19/913569419.db2.gz DBIWGUAJLJZVKG-ARFHVFGLSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001316649522 913569428 /nfs/dbraw/zinc/56/94/28/913569428.db2.gz DBIWGUAJLJZVKG-ARFHVFGLSA-N 2 1 309.454 1.158 20 30 DDEDMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCN[C@H](C#N)C1 ZINC001246500054 892660983 /nfs/dbraw/zinc/66/09/83/892660983.db2.gz NWAXXJKILFBARA-RDBSUJKOSA-N 2 1 310.442 1.059 20 30 DDEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278526295 894079420 /nfs/dbraw/zinc/07/94/20/894079420.db2.gz HUVKCTXEOAJOEP-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278526295 894079440 /nfs/dbraw/zinc/07/94/40/894079440.db2.gz HUVKCTXEOAJOEP-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001278562605 894249558 /nfs/dbraw/zinc/24/95/58/894249558.db2.gz RLYWAYVMGWAVLG-GOSISDBHSA-N 2 1 323.481 1.503 20 30 DDEDMP C=CCC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001252613813 895315184 /nfs/dbraw/zinc/31/51/84/895315184.db2.gz BIJDSYNFRKDXBF-SFHVURJKSA-N 2 1 304.434 1.936 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253575851 895899611 /nfs/dbraw/zinc/89/96/11/895899611.db2.gz GGOJFEGAOFJADW-HOCLYGCPSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253575851 895899617 /nfs/dbraw/zinc/89/96/17/895899617.db2.gz GGOJFEGAOFJADW-HOCLYGCPSA-N 2 1 310.438 1.273 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC001263183167 900525642 /nfs/dbraw/zinc/52/56/42/900525642.db2.gz KZDDANSMXMDCPD-QGZVFWFLSA-N 2 1 312.417 1.132 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001263183167 900525653 /nfs/dbraw/zinc/52/56/53/900525653.db2.gz KZDDANSMXMDCPD-QGZVFWFLSA-N 2 1 312.417 1.132 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374963018 914465655 /nfs/dbraw/zinc/46/56/55/914465655.db2.gz ZSSBJJLDMRTSQB-QWHCGFSZSA-N 2 1 320.462 1.556 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001263821073 900735954 /nfs/dbraw/zinc/73/59/54/900735954.db2.gz LYHHJMFYMGZPAC-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001263821073 900735961 /nfs/dbraw/zinc/73/59/61/900735961.db2.gz LYHHJMFYMGZPAC-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001264099986 900931897 /nfs/dbraw/zinc/93/18/97/900931897.db2.gz WNUXXGYBXCLITC-SJORKVTESA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001264099986 900931904 /nfs/dbraw/zinc/93/19/04/900931904.db2.gz WNUXXGYBXCLITC-SJORKVTESA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001264099986 900931913 /nfs/dbraw/zinc/93/19/13/900931913.db2.gz WNUXXGYBXCLITC-SJORKVTESA-N 2 1 323.481 1.311 20 30 DDEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001265043621 901481295 /nfs/dbraw/zinc/48/12/95/901481295.db2.gz TWPUOQRYDBQFMJ-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001265043621 901481299 /nfs/dbraw/zinc/48/12/99/901481299.db2.gz TWPUOQRYDBQFMJ-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265448212 902028813 /nfs/dbraw/zinc/02/88/13/902028813.db2.gz ODSHBKJEIKBENE-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001391714654 902426423 /nfs/dbraw/zinc/42/64/23/902426423.db2.gz AYJIYGYPAUQKBA-MELADBBJSA-N 2 1 301.862 1.954 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001280039914 903495641 /nfs/dbraw/zinc/49/56/41/903495641.db2.gz DTWJXYRKTVGWPA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001280524019 903762044 /nfs/dbraw/zinc/76/20/44/903762044.db2.gz YJMUVXFMWIWSKZ-JKSUJKDBSA-N 2 1 303.450 1.655 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+]1CCCC1)CO2 ZINC001280980206 904267610 /nfs/dbraw/zinc/26/76/10/904267610.db2.gz TULTVPRNYAJOKB-MRXNPFEDSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001281139395 904464732 /nfs/dbraw/zinc/46/47/32/904464732.db2.gz YOIXFIXVFUOZGQ-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001392600700 904578237 /nfs/dbraw/zinc/57/82/37/904578237.db2.gz GQYFEVCTHOFBHQ-ZDUSSCGKSA-N 2 1 320.412 1.633 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001392600700 904578241 /nfs/dbraw/zinc/57/82/41/904578241.db2.gz GQYFEVCTHOFBHQ-ZDUSSCGKSA-N 2 1 320.412 1.633 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001371476951 905063218 /nfs/dbraw/zinc/06/32/18/905063218.db2.gz XANAYKYJCNLXFR-DOMZBBRYSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001281677343 905153303 /nfs/dbraw/zinc/15/33/03/905153303.db2.gz UZVKOUAPJPTJSC-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001281677343 905153318 /nfs/dbraw/zinc/15/33/18/905153318.db2.gz UZVKOUAPJPTJSC-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](CC)CC=C)CC1 ZINC001281833720 905254404 /nfs/dbraw/zinc/25/44/04/905254404.db2.gz OUPNNULGOLDPTC-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CC=C)CC1 ZINC001281833720 905254417 /nfs/dbraw/zinc/25/44/17/905254417.db2.gz OUPNNULGOLDPTC-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC=C)CC1 ZINC001281833720 905254433 /nfs/dbraw/zinc/25/44/33/905254433.db2.gz OUPNNULGOLDPTC-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC=C)CC1 ZINC001281833720 905254447 /nfs/dbraw/zinc/25/44/47/905254447.db2.gz OUPNNULGOLDPTC-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001282557868 905869208 /nfs/dbraw/zinc/86/92/08/905869208.db2.gz JUYNZGSSUANRAC-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001282627462 905910588 /nfs/dbraw/zinc/91/05/88/905910588.db2.gz OFJWUSXQJKTSDQ-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP C=CCOCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282677721 905938692 /nfs/dbraw/zinc/93/86/92/905938692.db2.gz FTUZOUIXXFRLGR-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282677721 905938704 /nfs/dbraw/zinc/93/87/04/905938704.db2.gz FTUZOUIXXFRLGR-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282677721 905938715 /nfs/dbraw/zinc/93/87/15/905938715.db2.gz FTUZOUIXXFRLGR-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001316625419 907109605 /nfs/dbraw/zinc/10/96/05/907109605.db2.gz SNMAPUORSXLOBG-VBQJREDUSA-N 2 1 309.429 1.317 20 30 DDEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283754176 907905436 /nfs/dbraw/zinc/90/54/36/907905436.db2.gz AZRGIVHGMQHDRB-JKSUJKDBSA-N 2 1 323.481 1.284 20 30 DDEDMP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001394519809 909885050 /nfs/dbraw/zinc/88/50/50/909885050.db2.gz MWQWCBAGZIUJOH-CYBMUJFWSA-N 2 1 320.412 1.586 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001377879271 923312495 /nfs/dbraw/zinc/31/24/95/923312495.db2.gz WVGYGWXUUIZJIT-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001377879271 923312508 /nfs/dbraw/zinc/31/25/08/923312508.db2.gz WVGYGWXUUIZJIT-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000068360697 353106538 /nfs/dbraw/zinc/10/65/38/353106538.db2.gz PGAJDMAGATYOQA-AWEZNQCLSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000069045513 353142444 /nfs/dbraw/zinc/14/24/44/353142444.db2.gz DZGOTNJUFSZODG-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052646 353704972 /nfs/dbraw/zinc/70/49/72/353704972.db2.gz LNEISDCHNPWWRD-CABCVRRESA-N 2 1 306.454 1.836 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1nc2c(cc1C#N)CCC2 ZINC000596425705 356875435 /nfs/dbraw/zinc/87/54/35/356875435.db2.gz VRPRTHWCLSXILL-UHFFFAOYSA-N 2 1 301.438 1.737 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1nc2c(cc1C#N)CCC2 ZINC000596425705 356875436 /nfs/dbraw/zinc/87/54/36/356875436.db2.gz VRPRTHWCLSXILL-UHFFFAOYSA-N 2 1 301.438 1.737 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cccc(C#N)c1 ZINC000597942274 357393104 /nfs/dbraw/zinc/39/31/04/357393104.db2.gz JTZSFNDJTMPUMS-HNNXBMFYSA-N 2 1 316.449 1.489 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cccc(C#N)c1 ZINC000597942274 357393106 /nfs/dbraw/zinc/39/31/06/357393106.db2.gz JTZSFNDJTMPUMS-HNNXBMFYSA-N 2 1 316.449 1.489 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600720638 358295528 /nfs/dbraw/zinc/29/55/28/358295528.db2.gz ILKDTWFJUJNBCT-DLBZAZTESA-N 2 1 323.481 1.768 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600751882 358307422 /nfs/dbraw/zinc/30/74/22/358307422.db2.gz BZSGFXHKZPIEDH-QGZVFWFLSA-N 2 1 300.406 1.544 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(F)c1C#N)CN1CC[NH+](C)CC1 ZINC000601998353 358770920 /nfs/dbraw/zinc/77/09/20/358770920.db2.gz FFQZATPCTCNQDD-AWEZNQCLSA-N 2 1 304.413 1.670 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000602878508 359262670 /nfs/dbraw/zinc/26/26/70/359262670.db2.gz XRVFWGJNYBCTEW-UHFFFAOYSA-N 2 1 318.446 1.976 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3sccc3C#N)C2)CC1 ZINC000602878508 359262676 /nfs/dbraw/zinc/26/26/76/359262676.db2.gz XRVFWGJNYBCTEW-UHFFFAOYSA-N 2 1 318.446 1.976 20 30 DDEDMP CO[C@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000342118029 533368077 /nfs/dbraw/zinc/36/80/77/533368077.db2.gz CFOAWQMYAUADGS-QZTJIDSGSA-N 2 1 308.466 1.992 20 30 DDEDMP CCCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000104166028 407348682 /nfs/dbraw/zinc/34/86/82/407348682.db2.gz PYAPNHSFYCTJJQ-UHFFFAOYSA-N 2 1 317.481 1.638 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCC[NH2+]CC3)C2=O)cc1 ZINC000333266132 410453689 /nfs/dbraw/zinc/45/36/89/410453689.db2.gz JLYZZWRTLPDTHS-RDJZCZTQSA-N 2 1 312.417 1.785 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000352877584 410685674 /nfs/dbraw/zinc/68/56/74/410685674.db2.gz JNZDQUHPNQNZNP-INIZCTEOSA-N 2 1 308.470 1.810 20 30 DDEDMP CN(C)c1cc[nH+]cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000330789049 410893905 /nfs/dbraw/zinc/89/39/05/410893905.db2.gz ATBRNVBTGOGMTI-CYBMUJFWSA-N 2 1 306.410 1.299 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302035 222149353 /nfs/dbraw/zinc/14/93/53/222149353.db2.gz QOIWTEZCLTXMLO-JKSUJKDBSA-N 2 1 320.412 1.308 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261990029 222268345 /nfs/dbraw/zinc/26/83/45/222268345.db2.gz RBOOLGFILLQHBU-CJNGLKHVSA-N 2 1 301.438 1.538 20 30 DDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000264133369 222324067 /nfs/dbraw/zinc/32/40/67/222324067.db2.gz YTAHZSITERNDFL-UHFFFAOYSA-N 2 1 324.425 1.399 20 30 DDEDMP CCO[C@@H]1C[C@H](NC(N[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)C12CCC2 ZINC000262350621 222276867 /nfs/dbraw/zinc/27/68/67/222276867.db2.gz FDGQUIGASALYGB-CWRNSKLLSA-N 2 1 320.481 1.736 20 30 DDEDMP CCO[C@@H]1C[C@H](NC(N[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C)C12CCC2 ZINC000262350621 222276871 /nfs/dbraw/zinc/27/68/71/222276871.db2.gz FDGQUIGASALYGB-CWRNSKLLSA-N 2 1 320.481 1.736 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000377896491 418716574 /nfs/dbraw/zinc/71/65/74/418716574.db2.gz KWXOHBWINKBUBZ-HNNXBMFYSA-N 2 1 302.422 1.917 20 30 DDEDMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424140356 228234531 /nfs/dbraw/zinc/23/45/31/228234531.db2.gz FQWISKUYHWWQPR-DOTOQJQBSA-N 2 1 314.433 1.740 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000491818397 421204165 /nfs/dbraw/zinc/20/41/65/421204165.db2.gz YHXWUOIPBSQQIT-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000491818397 421204167 /nfs/dbraw/zinc/20/41/67/421204167.db2.gz YHXWUOIPBSQQIT-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)CCC#N)C2)CC1 ZINC000569931993 421629014 /nfs/dbraw/zinc/62/90/14/421629014.db2.gz RXPKDTISBOUDMJ-WMZOPIPTSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)CCC#N)C2)CC1 ZINC000569931993 421629017 /nfs/dbraw/zinc/62/90/17/421629017.db2.gz RXPKDTISBOUDMJ-WMZOPIPTSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)CCC#N)C2)CC1 ZINC000569931993 421629019 /nfs/dbraw/zinc/62/90/19/421629019.db2.gz RXPKDTISBOUDMJ-WMZOPIPTSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)CCC#N)C2)CC1 ZINC000569931993 421629021 /nfs/dbraw/zinc/62/90/21/421629021.db2.gz RXPKDTISBOUDMJ-WMZOPIPTSA-N 2 1 320.481 1.945 20 30 DDEDMP C=C(C)[C@H](CO)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000649304063 423737173 /nfs/dbraw/zinc/73/71/73/423737173.db2.gz QDYLOUUECNVNLR-IBGZPJMESA-N 2 1 317.477 1.673 20 30 DDEDMP C=CC[C@@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]1 ZINC000662741800 424753522 /nfs/dbraw/zinc/75/35/22/424753522.db2.gz JGNDLIRVKIOISA-KRWDZBQOSA-N 2 1 307.438 1.008 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000262352141 276845258 /nfs/dbraw/zinc/84/52/58/276845258.db2.gz FIQFJEBEPLTCLO-XHSDSOJGSA-N 2 1 322.497 1.649 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873826 277257601 /nfs/dbraw/zinc/25/76/01/277257601.db2.gz QMFXEBHCTBUYFJ-YQQAZPJKSA-N 2 1 318.465 1.836 20 30 DDEDMP CC(C)(O)C[NH+](CC#CC[N@H+](CC(C)(C)O)C1CC1)C1CC1 ZINC000342142229 277314206 /nfs/dbraw/zinc/31/42/06/277314206.db2.gz ZHIJLMRDOBWSFX-UHFFFAOYSA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@H]1CN(C(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000262502093 300092726 /nfs/dbraw/zinc/09/27/26/300092726.db2.gz YQKSHCRMHIJFAN-UONOGXRCSA-N 2 1 306.410 1.452 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000584286294 332213342 /nfs/dbraw/zinc/21/33/42/332213342.db2.gz DAVWOCJUPLOKEU-OAHLLOKOSA-N 2 1 310.463 1.866 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000520708303 336028727 /nfs/dbraw/zinc/02/87/27/336028727.db2.gz NDGAHRRLFFXQEZ-HNNXBMFYSA-N 2 1 308.470 1.666 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000491452299 526806814 /nfs/dbraw/zinc/80/68/14/526806814.db2.gz KKOWHJROWYEOFZ-UHFFFAOYSA-N 2 1 316.449 1.155 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000491653177 526811650 /nfs/dbraw/zinc/81/16/50/526811650.db2.gz NCVGETHEHFSXJY-UHFFFAOYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000490593572 526918669 /nfs/dbraw/zinc/91/86/69/526918669.db2.gz DEPURPBVBXSHIN-UHFFFAOYSA-N 2 1 319.493 1.910 20 30 DDEDMP C#C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000491296916 527269992 /nfs/dbraw/zinc/26/99/92/527269992.db2.gz NXFAGMANRYVVJZ-IAGOWNOFSA-N 2 1 322.497 1.702 20 30 DDEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000491296917 527385137 /nfs/dbraw/zinc/38/51/37/527385137.db2.gz NXFAGMANRYVVJZ-IRXDYDNUSA-N 2 1 322.497 1.702 20 30 DDEDMP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853623 528255960 /nfs/dbraw/zinc/25/59/60/528255960.db2.gz VQLMXFVAFYRAHN-LSDHHAIUSA-N 2 1 319.453 1.681 20 30 DDEDMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853623 528255966 /nfs/dbraw/zinc/25/59/66/528255966.db2.gz VQLMXFVAFYRAHN-LSDHHAIUSA-N 2 1 319.453 1.681 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972553108 695280705 /nfs/dbraw/zinc/28/07/05/695280705.db2.gz ZCOVOLHHEORCKJ-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972553108 695280707 /nfs/dbraw/zinc/28/07/07/695280707.db2.gz ZCOVOLHHEORCKJ-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553108 695280708 /nfs/dbraw/zinc/28/07/08/695280708.db2.gz ZCOVOLHHEORCKJ-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553108 695280710 /nfs/dbraw/zinc/28/07/10/695280710.db2.gz ZCOVOLHHEORCKJ-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972684994 695316725 /nfs/dbraw/zinc/31/67/25/695316725.db2.gz ZVMNIKIGFYFCNC-QGZVFWFLSA-N 2 1 318.421 1.071 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972684994 695316728 /nfs/dbraw/zinc/31/67/28/695316728.db2.gz ZVMNIKIGFYFCNC-QGZVFWFLSA-N 2 1 318.421 1.071 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972700908 695319658 /nfs/dbraw/zinc/31/96/58/695319658.db2.gz QIPMQLYTLCHFGG-KRWDZBQOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974591954 695692620 /nfs/dbraw/zinc/69/26/20/695692620.db2.gz FYJLPFGSXHPLBF-OAHLLOKOSA-N 2 1 319.453 1.071 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974735405 695721712 /nfs/dbraw/zinc/72/17/12/695721712.db2.gz ZTQYSSJDRPOIPA-MRXNPFEDSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865454 695749196 /nfs/dbraw/zinc/74/91/96/695749196.db2.gz UGMXEQJOFAXKTL-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865454 695749198 /nfs/dbraw/zinc/74/91/98/695749198.db2.gz UGMXEQJOFAXKTL-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977636682 696241584 /nfs/dbraw/zinc/24/15/84/696241584.db2.gz FCDDNWJTLWHKLT-KRWDZBQOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977636682 696241586 /nfs/dbraw/zinc/24/15/86/696241586.db2.gz FCDDNWJTLWHKLT-KRWDZBQOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977658746 696247212 /nfs/dbraw/zinc/24/72/12/696247212.db2.gz VDWCQZFZPLAJNO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658746 696247214 /nfs/dbraw/zinc/24/72/14/696247214.db2.gz VDWCQZFZPLAJNO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658746 696247216 /nfs/dbraw/zinc/24/72/16/696247216.db2.gz VDWCQZFZPLAJNO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978676770 696438682 /nfs/dbraw/zinc/43/86/82/696438682.db2.gz KURVTKNLZMRQMW-OSYLJGHBSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981960427 696986376 /nfs/dbraw/zinc/98/63/76/696986376.db2.gz VPHHJCVYKCNZEC-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981960427 696986379 /nfs/dbraw/zinc/98/63/79/696986379.db2.gz VPHHJCVYKCNZEC-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982116344 697034096 /nfs/dbraw/zinc/03/40/96/697034096.db2.gz LQRVNUPAVUXPBY-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982116344 697034098 /nfs/dbraw/zinc/03/40/98/697034098.db2.gz LQRVNUPAVUXPBY-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982116344 697034100 /nfs/dbraw/zinc/03/41/00/697034100.db2.gz LQRVNUPAVUXPBY-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981209978 697035689 /nfs/dbraw/zinc/03/56/89/697035689.db2.gz MZZNMLCBVSXFMM-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209978 697035692 /nfs/dbraw/zinc/03/56/92/697035692.db2.gz MZZNMLCBVSXFMM-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209978 697035694 /nfs/dbraw/zinc/03/56/94/697035694.db2.gz MZZNMLCBVSXFMM-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163685 697046569 /nfs/dbraw/zinc/04/65/69/697046569.db2.gz OEPVJMKOZHJSGM-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983026755 697202701 /nfs/dbraw/zinc/20/27/01/697202701.db2.gz NCWBNBHVVZFZDY-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(F)c1 ZINC000303875579 698608480 /nfs/dbraw/zinc/60/84/80/698608480.db2.gz DNFMWPBXXUJTEP-AWEZNQCLSA-N 2 1 308.401 1.593 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000303880939 698609257 /nfs/dbraw/zinc/60/92/57/698609257.db2.gz KKGXNVZOLZXLRX-AWEZNQCLSA-N 2 1 319.453 1.305 20 30 DDEDMP C[C@H](CNC(=[NH2+])NCCc1ccccc1)C[NH+]1CCOCC1 ZINC000304756541 698624037 /nfs/dbraw/zinc/62/40/37/698624037.db2.gz NTFXOXZXEKTDER-OAHLLOKOSA-N 2 1 304.438 1.102 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000305159642 698637214 /nfs/dbraw/zinc/63/72/14/698637214.db2.gz BCLMYOYBALOVOU-IAGOWNOFSA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000305159642 698637218 /nfs/dbraw/zinc/63/72/18/698637218.db2.gz BCLMYOYBALOVOU-IAGOWNOFSA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000305159642 698637220 /nfs/dbraw/zinc/63/72/20/698637220.db2.gz BCLMYOYBALOVOU-IAGOWNOFSA-N 3 1 323.529 1.743 20 30 DDEDMP C[NH+]=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC1CC1 ZINC000305798324 698656487 /nfs/dbraw/zinc/65/64/87/698656487.db2.gz BSAGDQUFEDVZEU-MRXNPFEDSA-N 2 1 302.422 1.081 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989736834 698745967 /nfs/dbraw/zinc/74/59/67/698745967.db2.gz FNNIXPOPWUDYFN-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989736834 698745970 /nfs/dbraw/zinc/74/59/70/698745970.db2.gz FNNIXPOPWUDYFN-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990638341 699117510 /nfs/dbraw/zinc/11/75/10/699117510.db2.gz MFKNIMUSTGKPNG-SOLBZPMBSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990638341 699117512 /nfs/dbraw/zinc/11/75/12/699117512.db2.gz MFKNIMUSTGKPNG-SOLBZPMBSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990638341 699117515 /nfs/dbraw/zinc/11/75/15/699117515.db2.gz MFKNIMUSTGKPNG-SOLBZPMBSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991047475 699216063 /nfs/dbraw/zinc/21/60/63/699216063.db2.gz YUWYOFZFBXZWOQ-ZIFCJYIRSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991047475 699216067 /nfs/dbraw/zinc/21/60/67/699216067.db2.gz YUWYOFZFBXZWOQ-ZIFCJYIRSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991047475 699216070 /nfs/dbraw/zinc/21/60/70/699216070.db2.gz YUWYOFZFBXZWOQ-ZIFCJYIRSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000730105931 699501862 /nfs/dbraw/zinc/50/18/62/699501862.db2.gz QEDHKQDFZCMEMH-SFHVURJKSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000730105931 699501864 /nfs/dbraw/zinc/50/18/64/699501864.db2.gz QEDHKQDFZCMEMH-SFHVURJKSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000730105931 699501865 /nfs/dbraw/zinc/50/18/65/699501865.db2.gz QEDHKQDFZCMEMH-SFHVURJKSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000730105931 699501867 /nfs/dbraw/zinc/50/18/67/699501867.db2.gz QEDHKQDFZCMEMH-SFHVURJKSA-N 2 1 313.445 1.852 20 30 DDEDMP C[NH+](C)CCN1c2ccccc2C(=NNc2cc[nH+]cc2)C1=O ZINC000807981392 701493047 /nfs/dbraw/zinc/49/30/47/701493047.db2.gz MVCGAPLQOPZGIR-UHFFFAOYSA-N 2 1 309.373 1.228 20 30 DDEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000829784481 706395624 /nfs/dbraw/zinc/39/56/24/706395624.db2.gz KQLANMMMMYKDBW-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000884022469 708106078 /nfs/dbraw/zinc/10/60/78/708106078.db2.gz IHZRBENGDRFKJC-MRXNPFEDSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000884022469 708106081 /nfs/dbraw/zinc/10/60/81/708106081.db2.gz IHZRBENGDRFKJC-MRXNPFEDSA-N 2 1 320.481 1.648 20 30 DDEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CCCCC1 ZINC000884189251 708179669 /nfs/dbraw/zinc/17/96/69/708179669.db2.gz AJHROWXZPDCJPO-CSLYMUCUSA-N 2 1 318.465 1.506 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884195397 708182413 /nfs/dbraw/zinc/18/24/13/708182413.db2.gz LNPSYCRJCPVBCX-RDAFDQFTSA-N 2 1 315.421 1.083 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000884462152 708306001 /nfs/dbraw/zinc/30/60/01/708306001.db2.gz WLQUSSPGNVJGDC-HUUCEWRRSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000884462152 708306005 /nfs/dbraw/zinc/30/60/05/708306005.db2.gz WLQUSSPGNVJGDC-HUUCEWRRSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000884462152 708306009 /nfs/dbraw/zinc/30/60/09/708306009.db2.gz WLQUSSPGNVJGDC-HUUCEWRRSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000884462152 708306013 /nfs/dbraw/zinc/30/60/13/708306013.db2.gz WLQUSSPGNVJGDC-HUUCEWRRSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC)CCC[NH+]2CCCC2)C1 ZINC000890367709 709840955 /nfs/dbraw/zinc/84/09/55/709840955.db2.gz SBQPSROZUQJSIM-KRWDZBQOSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC)CCC[NH+]2CCCC2)C1 ZINC000890367709 709840959 /nfs/dbraw/zinc/84/09/59/709840959.db2.gz SBQPSROZUQJSIM-KRWDZBQOSA-N 2 1 320.481 1.601 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000892852208 710512905 /nfs/dbraw/zinc/51/29/05/710512905.db2.gz XLODYFKYKFXDOM-GOEBONIOSA-N 2 1 306.454 1.372 20 30 DDEDMP N#CC1(CCCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000903713244 711251876 /nfs/dbraw/zinc/25/18/76/711251876.db2.gz JMLPTEVAWJZDOR-OAHLLOKOSA-N 2 1 306.454 1.637 20 30 DDEDMP CC(C)C[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000912507876 711358090 /nfs/dbraw/zinc/35/80/90/711358090.db2.gz HADZBBJIFFRWGD-HUUCEWRRSA-N 2 1 310.486 1.839 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906773962 712409172 /nfs/dbraw/zinc/40/91/72/712409172.db2.gz RTAMQRVAINBXBZ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000914150193 713348943 /nfs/dbraw/zinc/34/89/43/713348943.db2.gz MFFBLAUTTFDPAQ-HOTGVXAUSA-N 2 1 304.438 1.010 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000923356785 714325748 /nfs/dbraw/zinc/32/57/48/714325748.db2.gz UOZZNLGDJQYCLO-FUHWJXTLSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000923356785 714325750 /nfs/dbraw/zinc/32/57/50/714325750.db2.gz UOZZNLGDJQYCLO-FUHWJXTLSA-N 2 1 315.417 1.373 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555691 716619347 /nfs/dbraw/zinc/61/93/47/716619347.db2.gz MIOHPBXVORSVFI-SJORKVTESA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940647252 716895005 /nfs/dbraw/zinc/89/50/05/716895005.db2.gz OMZUANUPAMSKGS-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940647252 716895008 /nfs/dbraw/zinc/89/50/08/716895008.db2.gz OMZUANUPAMSKGS-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647252 716895011 /nfs/dbraw/zinc/89/50/11/716895011.db2.gz OMZUANUPAMSKGS-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647252 716895014 /nfs/dbraw/zinc/89/50/14/716895014.db2.gz OMZUANUPAMSKGS-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940647254 716895836 /nfs/dbraw/zinc/89/58/36/716895836.db2.gz OMZUANUPAMSKGS-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940647254 716895840 /nfs/dbraw/zinc/89/58/40/716895840.db2.gz OMZUANUPAMSKGS-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647254 716895846 /nfs/dbraw/zinc/89/58/46/716895846.db2.gz OMZUANUPAMSKGS-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647254 716895851 /nfs/dbraw/zinc/89/58/51/716895851.db2.gz OMZUANUPAMSKGS-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961958505 717260795 /nfs/dbraw/zinc/26/07/95/717260795.db2.gz PZYWCHQIYPLJGS-FOLVSLTJSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961958505 717260798 /nfs/dbraw/zinc/26/07/98/717260798.db2.gz PZYWCHQIYPLJGS-FOLVSLTJSA-N 2 1 311.857 1.517 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520210 717715608 /nfs/dbraw/zinc/71/56/08/717715608.db2.gz BOCBTUQDOFILIK-GJZGRUSLSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520210 717715610 /nfs/dbraw/zinc/71/56/10/717715610.db2.gz BOCBTUQDOFILIK-GJZGRUSLSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C[C@@H]2C)CC1 ZINC000945176995 718414612 /nfs/dbraw/zinc/41/46/12/718414612.db2.gz AGOTTZSBTAAMSD-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)C[C@H]2C)CC1 ZINC000945184634 718417147 /nfs/dbraw/zinc/41/71/47/718417147.db2.gz WZLBRCFAQNYLRB-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946764880 718901508 /nfs/dbraw/zinc/90/15/08/718901508.db2.gz COMPZRXYQBLDPF-FGTMMUONSA-N 2 1 319.493 1.766 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779084 718906207 /nfs/dbraw/zinc/90/62/07/718906207.db2.gz FULSBQUQSRKFFT-BDXSIMOUSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779084 718906210 /nfs/dbraw/zinc/90/62/10/718906210.db2.gz FULSBQUQSRKFFT-BDXSIMOUSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779084 718906213 /nfs/dbraw/zinc/90/62/13/718906213.db2.gz FULSBQUQSRKFFT-BDXSIMOUSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726196 719254909 /nfs/dbraw/zinc/25/49/09/719254909.db2.gz KFYYLBLISZUFFH-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726196 719254911 /nfs/dbraw/zinc/25/49/11/719254911.db2.gz KFYYLBLISZUFFH-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726196 719254913 /nfs/dbraw/zinc/25/49/13/719254913.db2.gz KFYYLBLISZUFFH-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947852449 719290010 /nfs/dbraw/zinc/29/00/10/719290010.db2.gz JRDIILMBGHKMIP-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933541 719311203 /nfs/dbraw/zinc/31/12/03/719311203.db2.gz CAFWDZYGFJVPPC-KGLIPLIRSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933541 719311204 /nfs/dbraw/zinc/31/12/04/719311204.db2.gz CAFWDZYGFJVPPC-KGLIPLIRSA-N 2 1 311.857 1.804 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940876 719313576 /nfs/dbraw/zinc/31/35/76/719313576.db2.gz UPBZFDUXIIKEOK-GJZGRUSLSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940876 719313579 /nfs/dbraw/zinc/31/35/79/719313579.db2.gz UPBZFDUXIIKEOK-GJZGRUSLSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)[C@@H](C)C2)CC1 ZINC000948071120 719349887 /nfs/dbraw/zinc/34/98/87/719349887.db2.gz VKVRBTOMDGONRF-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948373631 719472454 /nfs/dbraw/zinc/47/24/54/719472454.db2.gz NEKJQHCZWCEHGD-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553704 719662433 /nfs/dbraw/zinc/66/24/33/719662433.db2.gz OPMVFWLTZITGPV-GDBMZVCRSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553704 719662435 /nfs/dbraw/zinc/66/24/35/719662435.db2.gz OPMVFWLTZITGPV-GDBMZVCRSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856543 719825412 /nfs/dbraw/zinc/82/54/12/719825412.db2.gz KBKUHAAKFKGKBY-ZWKOTPCHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118468 719966771 /nfs/dbraw/zinc/96/67/71/719966771.db2.gz PRUZGLHKQKWUQP-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000949395005 720060172 /nfs/dbraw/zinc/06/01/72/720060172.db2.gz LEKYNXIVWQHGEV-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000969353325 720078820 /nfs/dbraw/zinc/07/88/20/720078820.db2.gz RCLOOOOCEWTGTH-QGZVFWFLSA-N 2 1 323.400 1.454 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000969356818 720081877 /nfs/dbraw/zinc/08/18/77/720081877.db2.gz QOUSHMIKUQEMQD-QGZVFWFLSA-N 2 1 323.400 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@@H](F)CC)C2)CC1 ZINC000970925398 720990638 /nfs/dbraw/zinc/99/06/38/720990638.db2.gz PXXKNUGYYZINNN-PBHICJAKSA-N 2 1 323.456 1.516 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470746 732328637 /nfs/dbraw/zinc/32/86/37/732328637.db2.gz SFCSBOUJKPTUPZ-WMZOPIPTSA-N 2 1 316.449 1.986 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173538 733082571 /nfs/dbraw/zinc/08/25/71/733082571.db2.gz ZARPEIIDEBMNNN-KRWDZBQOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039250501 733372120 /nfs/dbraw/zinc/37/21/20/733372120.db2.gz OIHCHLOUONAEOX-NVXWUHKLSA-N 2 1 314.433 1.597 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670553 733426049 /nfs/dbraw/zinc/42/60/49/733426049.db2.gz LTPZAPHCXONRRP-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670553 733426051 /nfs/dbraw/zinc/42/60/51/733426051.db2.gz LTPZAPHCXONRRP-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670553 733426054 /nfs/dbraw/zinc/42/60/54/733426054.db2.gz LTPZAPHCXONRRP-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027924984 738817508 /nfs/dbraw/zinc/81/75/08/738817508.db2.gz OUAFYSSCINLYBF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027924984 738817511 /nfs/dbraw/zinc/81/75/11/738817511.db2.gz OUAFYSSCINLYBF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027924984 738817514 /nfs/dbraw/zinc/81/75/14/738817514.db2.gz OUAFYSSCINLYBF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294711 782444400 /nfs/dbraw/zinc/44/44/00/782444400.db2.gz FOGRLMXRDBXEQS-HVEGKCCWSA-N 2 1 303.450 1.511 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023402311 735210904 /nfs/dbraw/zinc/21/09/04/735210904.db2.gz KBKDLPCSJONEBD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402311 735210908 /nfs/dbraw/zinc/21/09/08/735210908.db2.gz KBKDLPCSJONEBD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402311 735210911 /nfs/dbraw/zinc/21/09/11/735210911.db2.gz KBKDLPCSJONEBD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001027976446 738895688 /nfs/dbraw/zinc/89/56/88/738895688.db2.gz AOTNUKGRPJNPIU-GJZGRUSLSA-N 2 1 302.422 1.602 20 30 DDEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254820 751361397 /nfs/dbraw/zinc/36/13/97/751361397.db2.gz SKFRFDWQEQTBMG-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253026 736394803 /nfs/dbraw/zinc/39/48/03/736394803.db2.gz SBMUZVPOSGAKBZ-DLBZAZTESA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253026 736394806 /nfs/dbraw/zinc/39/48/06/736394806.db2.gz SBMUZVPOSGAKBZ-DLBZAZTESA-N 2 1 314.433 1.670 20 30 DDEDMP N#Cc1ccc(C(F)(F)F)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001167879791 739170269 /nfs/dbraw/zinc/17/02/69/739170269.db2.gz OXUVNTLSKJCKLR-UHFFFAOYSA-N 2 1 300.288 1.647 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231126 739201162 /nfs/dbraw/zinc/20/11/62/739201162.db2.gz XQTDEDCTNXTLBS-MRXNPFEDSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231126 739201167 /nfs/dbraw/zinc/20/11/67/739201167.db2.gz XQTDEDCTNXTLBS-MRXNPFEDSA-N 2 1 311.389 1.648 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028266818 739255343 /nfs/dbraw/zinc/25/53/43/739255343.db2.gz BRQCDSZXBNPSSD-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028266818 739255345 /nfs/dbraw/zinc/25/53/45/739255345.db2.gz BRQCDSZXBNPSSD-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998004467 751458376 /nfs/dbraw/zinc/45/83/76/751458376.db2.gz AWDWGTJJFSYDQM-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798845 740550992 /nfs/dbraw/zinc/55/09/92/740550992.db2.gz QKBSGZSQVZOHDV-YESZJQIVSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087750006 740733208 /nfs/dbraw/zinc/73/32/08/740733208.db2.gz MYUATANDJCIFTP-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#CC)[C@@H]2CC)CC1 ZINC001087840014 740779692 /nfs/dbraw/zinc/77/96/92/740779692.db2.gz DDDICCRBVPEEHQ-ZWKOTPCHSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCF)[C@@H]2CC)CC1 ZINC001087840302 740780096 /nfs/dbraw/zinc/78/00/96/740780096.db2.gz QJHJXZVGJPCBTE-DLBZAZTESA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964022 740890732 /nfs/dbraw/zinc/89/07/32/740890732.db2.gz RWYGZAQHJNNYFK-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964022 740890733 /nfs/dbraw/zinc/89/07/33/740890733.db2.gz RWYGZAQHJNNYFK-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964022 740890736 /nfs/dbraw/zinc/89/07/36/740890736.db2.gz RWYGZAQHJNNYFK-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095594 741024499 /nfs/dbraw/zinc/02/44/99/741024499.db2.gz XDYVUKOEOGZOAQ-IXDOHACOSA-N 2 1 307.482 1.929 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4nccn4C3)[C@@H]2C1 ZINC001075966299 742288202 /nfs/dbraw/zinc/28/82/02/742288202.db2.gz XDUXXNBOIRPPML-HRCADAONSA-N 2 1 314.433 1.554 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768876 742337437 /nfs/dbraw/zinc/33/74/37/742337437.db2.gz IGTAULVTXLFUFU-PVAVHDDUSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768876 742337443 /nfs/dbraw/zinc/33/74/43/742337443.db2.gz IGTAULVTXLFUFU-PVAVHDDUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628470 751718987 /nfs/dbraw/zinc/71/89/87/751718987.db2.gz CDGYOBJEZPTHRX-RLFYNMQTSA-N 2 1 321.440 1.507 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628470 751718990 /nfs/dbraw/zinc/71/89/90/751718990.db2.gz CDGYOBJEZPTHRX-RLFYNMQTSA-N 2 1 321.440 1.507 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628470 751718997 /nfs/dbraw/zinc/71/89/97/751718997.db2.gz CDGYOBJEZPTHRX-RLFYNMQTSA-N 2 1 321.440 1.507 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628470 751719001 /nfs/dbraw/zinc/71/90/01/751719001.db2.gz CDGYOBJEZPTHRX-RLFYNMQTSA-N 2 1 321.440 1.507 20 30 DDEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001032629667 751731086 /nfs/dbraw/zinc/73/10/86/751731086.db2.gz IAKXLLKMEXQUOP-KBPBESRZSA-N 2 1 316.405 1.355 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035706666 751792975 /nfs/dbraw/zinc/79/29/75/751792975.db2.gz NFUADAVUWBZRMT-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181728864 743312337 /nfs/dbraw/zinc/31/23/37/743312337.db2.gz RCSQOPRFUZFINV-RVKKMQEKSA-N 2 1 314.433 1.468 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001083644439 743663010 /nfs/dbraw/zinc/66/30/10/743663010.db2.gz GZXXFZWMXULVCT-CVEARBPZSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165363 743796617 /nfs/dbraw/zinc/79/66/17/743796617.db2.gz YSIHVCYUFRKEHW-SOLBZPMBSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183410966 743831377 /nfs/dbraw/zinc/83/13/77/743831377.db2.gz UJUYQCWRSSFBII-SOLBZPMBSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183835438 743915814 /nfs/dbraw/zinc/91/58/14/743915814.db2.gz JRDIPJUTWNYCFP-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185681767 744266651 /nfs/dbraw/zinc/26/66/51/744266651.db2.gz MPFXCQWNBCWJKH-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001185705372 744270727 /nfs/dbraw/zinc/27/07/27/744270727.db2.gz AFLYSXCOFZHPSP-GOSISDBHSA-N 2 1 313.445 1.375 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171030 744658546 /nfs/dbraw/zinc/65/85/46/744658546.db2.gz KXESJGQEKIWUHD-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171030 744658550 /nfs/dbraw/zinc/65/85/50/744658550.db2.gz KXESJGQEKIWUHD-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171030 744658553 /nfs/dbraw/zinc/65/85/53/744658553.db2.gz KXESJGQEKIWUHD-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992432320 744873008 /nfs/dbraw/zinc/87/30/08/744873008.db2.gz QDTCPSPEFDBUDP-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992432320 744873010 /nfs/dbraw/zinc/87/30/10/744873010.db2.gz QDTCPSPEFDBUDP-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992432320 744873013 /nfs/dbraw/zinc/87/30/13/744873013.db2.gz QDTCPSPEFDBUDP-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3ccnc3C)CCC[C@H]12 ZINC000992500255 744921389 /nfs/dbraw/zinc/92/13/89/744921389.db2.gz JYXXGOUUYGPCKL-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992500255 744921392 /nfs/dbraw/zinc/92/13/92/744921392.db2.gz JYXXGOUUYGPCKL-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992500255 744921395 /nfs/dbraw/zinc/92/13/95/744921395.db2.gz JYXXGOUUYGPCKL-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084422 745106552 /nfs/dbraw/zinc/10/65/52/745106552.db2.gz MXENKJSHMAQXCP-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084422 745106553 /nfs/dbraw/zinc/10/65/53/745106553.db2.gz MXENKJSHMAQXCP-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084422 745106554 /nfs/dbraw/zinc/10/65/54/745106554.db2.gz MXENKJSHMAQXCP-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221919 745144144 /nfs/dbraw/zinc/14/41/44/745144144.db2.gz SYKHWJPJNLQONR-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655531 745287339 /nfs/dbraw/zinc/28/73/39/745287339.db2.gz PVLWEGWUJIKNAO-HOTGVXAUSA-N 2 1 309.454 1.062 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506853 745541643 /nfs/dbraw/zinc/54/16/43/745541643.db2.gz DTUARWJLNVNQRZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191946873 745653318 /nfs/dbraw/zinc/65/33/18/745653318.db2.gz FYWZZMLYUOGSHF-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191946873 745653320 /nfs/dbraw/zinc/65/33/20/745653320.db2.gz FYWZZMLYUOGSHF-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946873 745653322 /nfs/dbraw/zinc/65/33/22/745653322.db2.gz FYWZZMLYUOGSHF-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946873 745653323 /nfs/dbraw/zinc/65/33/23/745653323.db2.gz FYWZZMLYUOGSHF-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192425085 745779673 /nfs/dbraw/zinc/77/96/73/745779673.db2.gz FASSCCSJHPQSED-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994491163 746686900 /nfs/dbraw/zinc/68/69/00/746686900.db2.gz XPJKUJPYSKBWTO-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089539293 747172376 /nfs/dbraw/zinc/17/23/76/747172376.db2.gz KLBKASXZIGICRT-INIZCTEOSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001198190679 747415245 /nfs/dbraw/zinc/41/52/45/747415245.db2.gz QQNMOOARKZJZMB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001198190679 747415252 /nfs/dbraw/zinc/41/52/52/747415252.db2.gz QQNMOOARKZJZMB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001198190679 747415257 /nfs/dbraw/zinc/41/52/57/747415257.db2.gz QQNMOOARKZJZMB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001198190679 747415264 /nfs/dbraw/zinc/41/52/64/747415264.db2.gz QQNMOOARKZJZMB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001036118183 752187417 /nfs/dbraw/zinc/18/74/17/752187417.db2.gz PSBMRWFKTQYUEV-CABCVRRESA-N 2 1 316.449 1.775 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001036118185 752187788 /nfs/dbraw/zinc/18/77/88/752187788.db2.gz PSBMRWFKTQYUEV-HUUCEWRRSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931709 748235819 /nfs/dbraw/zinc/23/58/19/748235819.db2.gz MGPQVCKQBBSHTM-OAHLLOKOSA-N 2 1 302.422 1.378 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200578542 748284172 /nfs/dbraw/zinc/28/41/72/748284172.db2.gz WMBPDCFXTGOVBK-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031979225 748345170 /nfs/dbraw/zinc/34/51/70/748345170.db2.gz UIEULMCTNRMUGZ-UHFFFAOYSA-N 2 1 318.421 1.508 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201230400 748437196 /nfs/dbraw/zinc/43/71/96/748437196.db2.gz PDDCMZDCCWATED-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201225655 748451334 /nfs/dbraw/zinc/45/13/34/748451334.db2.gz MZLHIURNHNGWFF-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201557770 748544846 /nfs/dbraw/zinc/54/48/46/748544846.db2.gz KHZVJXVRRMYSFX-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295456 749143565 /nfs/dbraw/zinc/14/35/65/749143565.db2.gz KTJZIMZPIKAQBW-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295456 749143571 /nfs/dbraw/zinc/14/35/71/749143571.db2.gz KTJZIMZPIKAQBW-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995914755 749296066 /nfs/dbraw/zinc/29/60/66/749296066.db2.gz FUBJRFLEZRGTKM-ZIAGYGMSSA-N 2 1 300.406 1.220 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416684 749314486 /nfs/dbraw/zinc/31/44/86/749314486.db2.gz QPQQPQCRYYAHNC-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416684 749314489 /nfs/dbraw/zinc/31/44/89/749314489.db2.gz QPQQPQCRYYAHNC-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995996197 749325419 /nfs/dbraw/zinc/32/54/19/749325419.db2.gz SNTBIKBYLQDWKW-HZPDHXFCSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490515 749434360 /nfs/dbraw/zinc/43/43/60/749434360.db2.gz SLLLSZFDNMHQJN-MRXNPFEDSA-N 2 1 319.453 1.167 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001039386093 761986514 /nfs/dbraw/zinc/98/65/14/761986514.db2.gz XGHCJELWBTZMQB-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001039386093 761986521 /nfs/dbraw/zinc/98/65/21/761986521.db2.gz XGHCJELWBTZMQB-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001039386093 761986526 /nfs/dbraw/zinc/98/65/26/761986526.db2.gz XGHCJELWBTZMQB-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001039397805 761996820 /nfs/dbraw/zinc/99/68/20/761996820.db2.gz BDNPGMIBIGQCHT-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001039397805 761996823 /nfs/dbraw/zinc/99/68/23/761996823.db2.gz BDNPGMIBIGQCHT-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397805 761996825 /nfs/dbraw/zinc/99/68/25/761996825.db2.gz BDNPGMIBIGQCHT-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001039397805 761996829 /nfs/dbraw/zinc/99/68/29/761996829.db2.gz BDNPGMIBIGQCHT-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033853807 749990023 /nfs/dbraw/zinc/99/00/23/749990023.db2.gz DCVUHXFYIUTGEV-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033853807 749990030 /nfs/dbraw/zinc/99/00/30/749990030.db2.gz DCVUHXFYIUTGEV-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033853807 749990036 /nfs/dbraw/zinc/99/00/36/749990036.db2.gz DCVUHXFYIUTGEV-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001034044419 750309793 /nfs/dbraw/zinc/30/97/93/750309793.db2.gz ATNWCYTYKAXTBK-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115315 750379151 /nfs/dbraw/zinc/37/91/51/750379151.db2.gz NBPFTKWACJUOAP-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115315 750379159 /nfs/dbraw/zinc/37/91/59/750379159.db2.gz NBPFTKWACJUOAP-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111196995 750432601 /nfs/dbraw/zinc/43/26/01/750432601.db2.gz DAVKPYCQGNIUJQ-OIISXLGYSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034475528 750464339 /nfs/dbraw/zinc/46/43/39/750464339.db2.gz SDXLKSFPIAFWBB-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544655 750548815 /nfs/dbraw/zinc/54/88/15/750548815.db2.gz RWGMNFJJILZBRC-QGZVFWFLSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460583 762052238 /nfs/dbraw/zinc/05/22/38/762052238.db2.gz WYKXQWHXLXYPPV-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039460583 762052246 /nfs/dbraw/zinc/05/22/46/762052246.db2.gz WYKXQWHXLXYPPV-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001039460583 762052254 /nfs/dbraw/zinc/05/22/54/762052254.db2.gz WYKXQWHXLXYPPV-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CN(C)CCO1)CC2 ZINC001035170592 751256150 /nfs/dbraw/zinc/25/61/50/751256150.db2.gz SLROMSAKENFJJW-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035170592 751256153 /nfs/dbraw/zinc/25/61/53/751256153.db2.gz SLROMSAKENFJJW-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035170592 751256156 /nfs/dbraw/zinc/25/61/56/751256156.db2.gz SLROMSAKENFJJW-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035170592 751256162 /nfs/dbraw/zinc/25/61/62/751256162.db2.gz SLROMSAKENFJJW-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035170592 751256166 /nfs/dbraw/zinc/25/61/66/751256166.db2.gz SLROMSAKENFJJW-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198208 751281399 /nfs/dbraw/zinc/28/13/99/751281399.db2.gz FQVHCVGVHQCENK-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035198208 751281402 /nfs/dbraw/zinc/28/14/02/751281402.db2.gz FQVHCVGVHQCENK-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035198208 751281403 /nfs/dbraw/zinc/28/14/03/751281403.db2.gz FQVHCVGVHQCENK-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035193845 751293234 /nfs/dbraw/zinc/29/32/34/751293234.db2.gz QVQFYZUQEGHTIZ-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035227003 751305180 /nfs/dbraw/zinc/30/51/80/751305180.db2.gz MIKBGBOHDVUOLP-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227003 751305186 /nfs/dbraw/zinc/30/51/86/751305186.db2.gz MIKBGBOHDVUOLP-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227003 751305191 /nfs/dbraw/zinc/30/51/91/751305191.db2.gz MIKBGBOHDVUOLP-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999293972 752798242 /nfs/dbraw/zinc/79/82/42/752798242.db2.gz OJJPTFKCEPUXCJ-GPANFISMSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999293972 752798246 /nfs/dbraw/zinc/79/82/46/752798246.db2.gz OJJPTFKCEPUXCJ-GPANFISMSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001006001862 753486506 /nfs/dbraw/zinc/48/65/06/753486506.db2.gz SGJHKQFSWVNWPP-SWLSCSKDSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001006001862 753486508 /nfs/dbraw/zinc/48/65/08/753486508.db2.gz SGJHKQFSWVNWPP-SWLSCSKDSA-N 2 1 313.873 1.859 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108007219 753494312 /nfs/dbraw/zinc/49/43/12/753494312.db2.gz PJXKGJIMVLEBGS-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007219 753494317 /nfs/dbraw/zinc/49/43/17/753494317.db2.gz PJXKGJIMVLEBGS-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007219 753494321 /nfs/dbraw/zinc/49/43/21/753494321.db2.gz PJXKGJIMVLEBGS-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCc1nn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c1C[NH2+]C2 ZINC001169133631 762249958 /nfs/dbraw/zinc/24/99/58/762249958.db2.gz IRIMYQASMAKBJC-WDNDVIMCSA-N 2 1 302.422 1.987 20 30 DDEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001080445042 755921587 /nfs/dbraw/zinc/92/15/87/755921587.db2.gz FLYBLJUALHFPQJ-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)CN1C[C@@H](C)[C@H](NC(=O)CN2CCC(C)(C)C2)C1 ZINC001080445042 755921591 /nfs/dbraw/zinc/92/15/91/755921591.db2.gz FLYBLJUALHFPQJ-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080447320 755923028 /nfs/dbraw/zinc/92/30/28/755923028.db2.gz YIIAJAHDKOQIGA-IVMMDQJWSA-N 2 1 302.422 1.376 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080447320 755923031 /nfs/dbraw/zinc/92/30/31/755923031.db2.gz YIIAJAHDKOQIGA-IVMMDQJWSA-N 2 1 302.422 1.376 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081766889 756473180 /nfs/dbraw/zinc/47/31/80/756473180.db2.gz IGABDSYOPIARPB-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766889 756473184 /nfs/dbraw/zinc/47/31/84/756473184.db2.gz IGABDSYOPIARPB-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766889 756473190 /nfs/dbraw/zinc/47/31/90/756473190.db2.gz IGABDSYOPIARPB-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799124 756484130 /nfs/dbraw/zinc/48/41/30/756484130.db2.gz DDJINMSQLNBBDH-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799124 756484133 /nfs/dbraw/zinc/48/41/33/756484133.db2.gz DDJINMSQLNBBDH-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799124 756484136 /nfs/dbraw/zinc/48/41/36/756484136.db2.gz DDJINMSQLNBBDH-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799124 756484142 /nfs/dbraw/zinc/48/41/42/756484142.db2.gz DDJINMSQLNBBDH-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393782 757021528 /nfs/dbraw/zinc/02/15/28/757021528.db2.gz QAZXYTNWJTXXPV-HZPDHXFCSA-N 2 1 321.465 1.132 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083080455 757125771 /nfs/dbraw/zinc/12/57/71/757125771.db2.gz RFBQGEPZAKFYSX-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080455 757125772 /nfs/dbraw/zinc/12/57/72/757125772.db2.gz RFBQGEPZAKFYSX-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080455 757125773 /nfs/dbraw/zinc/12/57/73/757125773.db2.gz RFBQGEPZAKFYSX-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040392515 762522473 /nfs/dbraw/zinc/52/24/73/762522473.db2.gz UNIJPYHYVDQFSL-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040392515 762522478 /nfs/dbraw/zinc/52/24/78/762522478.db2.gz UNIJPYHYVDQFSL-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040392515 762522482 /nfs/dbraw/zinc/52/24/82/762522482.db2.gz UNIJPYHYVDQFSL-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001016699864 757278031 /nfs/dbraw/zinc/27/80/31/757278031.db2.gz ZEIMOMJCUMAXQW-OAHLLOKOSA-N 2 1 318.421 1.507 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016931935 757486569 /nfs/dbraw/zinc/48/65/69/757486569.db2.gz YSCOZGLDMPAXLP-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040490441 762557241 /nfs/dbraw/zinc/55/72/41/762557241.db2.gz ASYKXGQUSLPGIF-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040490441 762557244 /nfs/dbraw/zinc/55/72/44/762557244.db2.gz ASYKXGQUSLPGIF-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040490441 762557247 /nfs/dbraw/zinc/55/72/47/762557247.db2.gz ASYKXGQUSLPGIF-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545387 757655280 /nfs/dbraw/zinc/65/52/80/757655280.db2.gz HWVAIGGQDXTVHB-KURKYZTESA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+](C)CC)C2)CC1 ZINC001017267549 757774227 /nfs/dbraw/zinc/77/42/27/757774227.db2.gz QLNBRJVRQGZQQQ-MRXNPFEDSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017706874 758170820 /nfs/dbraw/zinc/17/08/20/758170820.db2.gz UNQAXXJHBCCIFK-IYBDPMFKSA-N 2 1 301.434 1.313 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017706874 758170826 /nfs/dbraw/zinc/17/08/26/758170826.db2.gz UNQAXXJHBCCIFK-IYBDPMFKSA-N 2 1 301.434 1.313 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040638486 762633277 /nfs/dbraw/zinc/63/32/77/762633277.db2.gz NIRJYDSOJMOHDB-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053757672 758774631 /nfs/dbraw/zinc/77/46/31/758774631.db2.gz BEZNIXDSBBZZND-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053757672 758774639 /nfs/dbraw/zinc/77/46/39/758774639.db2.gz BEZNIXDSBBZZND-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141774 759216921 /nfs/dbraw/zinc/21/69/21/759216921.db2.gz PHMJLLYFCFIOQF-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141774 759216926 /nfs/dbraw/zinc/21/69/26/759216926.db2.gz PHMJLLYFCFIOQF-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141774 759216932 /nfs/dbraw/zinc/21/69/32/759216932.db2.gz PHMJLLYFCFIOQF-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241612 759333873 /nfs/dbraw/zinc/33/38/73/759333873.db2.gz VNLNPXUZVVPWKY-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241612 759333882 /nfs/dbraw/zinc/33/38/82/759333882.db2.gz VNLNPXUZVVPWKY-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001018985786 759479824 /nfs/dbraw/zinc/47/98/24/759479824.db2.gz FTSCAKKLZIKHLY-GQGLESIBSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001018985786 759479826 /nfs/dbraw/zinc/47/98/26/759479826.db2.gz FTSCAKKLZIKHLY-GQGLESIBSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001108215811 760415334 /nfs/dbraw/zinc/41/53/34/760415334.db2.gz JLKHEPZCYOJVTM-GOSISDBHSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001108215811 760415337 /nfs/dbraw/zinc/41/53/37/760415337.db2.gz JLKHEPZCYOJVTM-GOSISDBHSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215811 760415343 /nfs/dbraw/zinc/41/53/43/760415343.db2.gz JLKHEPZCYOJVTM-GOSISDBHSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215811 760415347 /nfs/dbraw/zinc/41/53/47/760415347.db2.gz JLKHEPZCYOJVTM-GOSISDBHSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC001000238092 761593414 /nfs/dbraw/zinc/59/34/14/761593414.db2.gz YINFBCJTIHJHCU-KRWDZBQOSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082564 761600595 /nfs/dbraw/zinc/60/05/95/761600595.db2.gz DTXODEGSLIXONV-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082564 761600600 /nfs/dbraw/zinc/60/06/00/761600600.db2.gz DTXODEGSLIXONV-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082564 761600605 /nfs/dbraw/zinc/60/06/05/761600605.db2.gz DTXODEGSLIXONV-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001086479273 761685601 /nfs/dbraw/zinc/68/56/01/761685601.db2.gz XRPNTWYPVBIUBJ-HDJSIYSDSA-N 2 1 318.421 1.554 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039135273 761769114 /nfs/dbraw/zinc/76/91/14/761769114.db2.gz ZKMBYWXZXDRNBP-QZTJIDSGSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109535 761781140 /nfs/dbraw/zinc/78/11/40/761781140.db2.gz GYIITDUMIMHMCN-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225907 761859956 /nfs/dbraw/zinc/85/99/56/761859956.db2.gz SEOLICAODCEZCC-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115306472 762800495 /nfs/dbraw/zinc/80/04/95/762800495.db2.gz PIBFRPOLGQLTCG-VSZNYVQBSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC001041378074 762989362 /nfs/dbraw/zinc/98/93/62/762989362.db2.gz IRKIEPDWWGYKDG-IIDMSEBBSA-N 2 1 312.417 1.461 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001041378074 762989368 /nfs/dbraw/zinc/98/93/68/762989368.db2.gz IRKIEPDWWGYKDG-IIDMSEBBSA-N 2 1 312.417 1.461 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001041378074 762989372 /nfs/dbraw/zinc/98/93/72/762989372.db2.gz IRKIEPDWWGYKDG-IIDMSEBBSA-N 2 1 312.417 1.461 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001050546018 763737177 /nfs/dbraw/zinc/73/71/77/763737177.db2.gz UGUOSBZUSHPZSZ-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC#CC)CC2 ZINC001050549631 763743345 /nfs/dbraw/zinc/74/33/45/763743345.db2.gz ABOSJODXZITFKZ-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC#CC)CC2 ZINC001050549631 763743352 /nfs/dbraw/zinc/74/33/52/763743352.db2.gz ABOSJODXZITFKZ-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252579 763822031 /nfs/dbraw/zinc/82/20/31/763822031.db2.gz KWVOMQAXBIZKPI-HOTGVXAUSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252579 763822038 /nfs/dbraw/zinc/82/20/38/763822038.db2.gz KWVOMQAXBIZKPI-HOTGVXAUSA-N 2 1 314.433 1.563 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050634587 763846651 /nfs/dbraw/zinc/84/66/51/763846651.db2.gz DDKNHPFHDUZVAF-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314668 763904933 /nfs/dbraw/zinc/90/49/33/763904933.db2.gz USBYZDGKEWNEMH-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001050701263 763936135 /nfs/dbraw/zinc/93/61/35/763936135.db2.gz YFRPRPJFVBEYRV-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042354043 763955731 /nfs/dbraw/zinc/95/57/31/763955731.db2.gz CZHRYBVNCVTYNV-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042354043 763955739 /nfs/dbraw/zinc/95/57/39/763955739.db2.gz CZHRYBVNCVTYNV-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC)[C@@H]3C2)CC1 ZINC001042367164 763970974 /nfs/dbraw/zinc/97/09/74/763970974.db2.gz BUUMGYSSPGLMDI-FUHWJXTLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCC2)C1 ZINC001042963421 764555526 /nfs/dbraw/zinc/55/55/26/764555526.db2.gz PHFREDKRPCPWKT-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC2CCCCC2)C1 ZINC001042963421 764555528 /nfs/dbraw/zinc/55/55/28/764555528.db2.gz PHFREDKRPCPWKT-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131691959 768274837 /nfs/dbraw/zinc/27/48/37/768274837.db2.gz BTPLAGBLWMJRPT-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC001052456090 765845230 /nfs/dbraw/zinc/84/52/30/765845230.db2.gz BGIQVWWFISMLGS-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=C)C)CC1 ZINC001052456090 765845238 /nfs/dbraw/zinc/84/52/38/765845238.db2.gz BGIQVWWFISMLGS-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=C)C)CC1 ZINC001052456090 765845245 /nfs/dbraw/zinc/84/52/45/765845245.db2.gz BGIQVWWFISMLGS-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=C)C)CC1 ZINC001052456090 765845248 /nfs/dbraw/zinc/84/52/48/765845248.db2.gz BGIQVWWFISMLGS-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527800 765923615 /nfs/dbraw/zinc/92/36/15/765923615.db2.gz IHPIHRUCCKRWSD-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052567291 765963415 /nfs/dbraw/zinc/96/34/15/765963415.db2.gz XDBOXZURGIXEFQ-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052567291 765963416 /nfs/dbraw/zinc/96/34/16/765963416.db2.gz XDBOXZURGIXEFQ-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045944132 766728731 /nfs/dbraw/zinc/72/87/31/766728731.db2.gz YHTKVSBTCPKWBO-GOSISDBHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001046331005 767430176 /nfs/dbraw/zinc/43/01/76/767430176.db2.gz ZJCCQDMTJAUVNL-NVXWUHKLSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCN1CC[C@@](C)(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001046331005 767430181 /nfs/dbraw/zinc/43/01/81/767430181.db2.gz ZJCCQDMTJAUVNL-NVXWUHKLSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046377317 767487915 /nfs/dbraw/zinc/48/79/15/767487915.db2.gz IKONXVYTDNOARE-YOEHRIQHSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046377317 767487918 /nfs/dbraw/zinc/48/79/18/767487918.db2.gz IKONXVYTDNOARE-YOEHRIQHSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107048 768632334 /nfs/dbraw/zinc/63/23/34/768632334.db2.gz XGSZKZYEDXNUBN-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406425 768810460 /nfs/dbraw/zinc/81/04/60/768810460.db2.gz ISRDMAGNPCTUBG-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524390 768946107 /nfs/dbraw/zinc/94/61/07/768946107.db2.gz GQFPROOJZHRCIV-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132977549 769380407 /nfs/dbraw/zinc/38/04/07/769380407.db2.gz MZYXCKNOEYUXBS-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560896 769533128 /nfs/dbraw/zinc/53/31/28/769533128.db2.gz XKSAIGWFEDFFSO-ACHSLPGTSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071644956 769782076 /nfs/dbraw/zinc/78/20/76/769782076.db2.gz DXWXWRSFLHKXCW-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071644956 769782085 /nfs/dbraw/zinc/78/20/85/769782085.db2.gz DXWXWRSFLHKXCW-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048817212 769936176 /nfs/dbraw/zinc/93/61/76/769936176.db2.gz KHADMKGABMAUJX-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817212 769936182 /nfs/dbraw/zinc/93/61/82/769936182.db2.gz KHADMKGABMAUJX-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817212 769936191 /nfs/dbraw/zinc/93/61/91/769936191.db2.gz KHADMKGABMAUJX-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1C ZINC001071890375 770236760 /nfs/dbraw/zinc/23/67/60/770236760.db2.gz KTXHRSLCKHSHSW-GDBMZVCRSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919390 770289297 /nfs/dbraw/zinc/28/92/97/770289297.db2.gz ATUCMLFJKXKPTR-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059100 770307496 /nfs/dbraw/zinc/30/74/96/770307496.db2.gz NMNVFVYCSLQRFT-DAYGRLMNSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059100 770307507 /nfs/dbraw/zinc/30/75/07/770307507.db2.gz NMNVFVYCSLQRFT-DAYGRLMNSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059100 770307521 /nfs/dbraw/zinc/30/75/21/770307521.db2.gz NMNVFVYCSLQRFT-DAYGRLMNSA-N 2 1 321.440 1.222 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059153 770308269 /nfs/dbraw/zinc/30/82/69/770308269.db2.gz BNHHDEQVLMKFKY-MHEUCROKSA-N 2 1 311.857 1.327 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059153 770308279 /nfs/dbraw/zinc/30/82/79/770308279.db2.gz BNHHDEQVLMKFKY-MHEUCROKSA-N 2 1 311.857 1.327 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059153 770308292 /nfs/dbraw/zinc/30/82/92/770308292.db2.gz BNHHDEQVLMKFKY-MHEUCROKSA-N 2 1 311.857 1.327 20 30 DDEDMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718390 771111705 /nfs/dbraw/zinc/11/17/05/771111705.db2.gz MALCKGMVOBEZED-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718390 771111708 /nfs/dbraw/zinc/11/17/08/771111708.db2.gz MALCKGMVOBEZED-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718390 771111711 /nfs/dbraw/zinc/11/17/11/771111711.db2.gz MALCKGMVOBEZED-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768150 771145221 /nfs/dbraw/zinc/14/52/21/771145221.db2.gz UEONBOLPFGRUPQ-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049841341 771199476 /nfs/dbraw/zinc/19/94/76/771199476.db2.gz RSQRYCAXKVNFBX-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049841341 771199479 /nfs/dbraw/zinc/19/94/79/771199479.db2.gz RSQRYCAXKVNFBX-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049841341 771199481 /nfs/dbraw/zinc/19/94/81/771199481.db2.gz RSQRYCAXKVNFBX-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583769 771587485 /nfs/dbraw/zinc/58/74/85/771587485.db2.gz FDZDYFBZDILXGU-GJZGRUSLSA-N 2 1 304.438 1.903 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585090 771587915 /nfs/dbraw/zinc/58/79/15/771587915.db2.gz PVCRJZVBSTZKTO-HUUCEWRRSA-N 2 1 304.438 1.903 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861326 771766792 /nfs/dbraw/zinc/76/67/92/771766792.db2.gz CMTVXFLYEUMMNN-GVDBMIGSSA-N 2 1 323.481 1.241 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086839537 771950907 /nfs/dbraw/zinc/95/09/07/771950907.db2.gz LAQWWWSLSUESSG-GOEBONIOSA-N 2 1 323.400 1.389 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090622837 772051400 /nfs/dbraw/zinc/05/14/00/772051400.db2.gz DEUVOGBONONCON-DLBZAZTESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090649420 772074434 /nfs/dbraw/zinc/07/44/34/772074434.db2.gz DNTGVHKNRJJWPK-DLBZAZTESA-N 2 1 317.433 1.099 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccccc1CC[NH3+] ZINC001171072476 772230982 /nfs/dbraw/zinc/23/09/82/772230982.db2.gz NQFIDAPSEJFFHU-HNNXBMFYSA-N 2 1 305.422 1.827 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706502 772922679 /nfs/dbraw/zinc/92/26/79/772922679.db2.gz FXCUOZIGFOWECR-HOTGVXAUSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706502 772922682 /nfs/dbraw/zinc/92/26/82/772922682.db2.gz FXCUOZIGFOWECR-HOTGVXAUSA-N 2 1 301.434 1.625 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677425 773296117 /nfs/dbraw/zinc/29/61/17/773296117.db2.gz GJKBLRDUBVBSQJ-INIZCTEOSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801390 773423723 /nfs/dbraw/zinc/42/37/23/773423723.db2.gz KBGLVEIYFVULCL-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801390 773423726 /nfs/dbraw/zinc/42/37/26/773423726.db2.gz KBGLVEIYFVULCL-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801390 773423730 /nfs/dbraw/zinc/42/37/30/773423730.db2.gz KBGLVEIYFVULCL-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001148352012 773445685 /nfs/dbraw/zinc/44/56/85/773445685.db2.gz XONWMWKSFDCMOL-CQSZACIVSA-N 2 1 302.422 1.841 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001148570544 773515045 /nfs/dbraw/zinc/51/50/45/773515045.db2.gz GCFFBUZAFFBMCJ-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001148638410 773562104 /nfs/dbraw/zinc/56/21/04/773562104.db2.gz HAVOTLQHNPFBQL-UHFFFAOYSA-N 2 1 305.397 1.225 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092757399 774251735 /nfs/dbraw/zinc/25/17/35/774251735.db2.gz ZKCSKAQUAXBOHL-GDBMZVCRSA-N 2 1 324.428 1.964 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036855548 774966528 /nfs/dbraw/zinc/96/65/28/774966528.db2.gz CUQNYSHHRPSQAM-NVXWUHKLSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554472 775028296 /nfs/dbraw/zinc/02/82/96/775028296.db2.gz ZKHYIDZKBGBROY-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554472 775028302 /nfs/dbraw/zinc/02/83/02/775028302.db2.gz ZKHYIDZKBGBROY-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554472 775028309 /nfs/dbraw/zinc/02/83/09/775028309.db2.gz ZKHYIDZKBGBROY-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127553 775711949 /nfs/dbraw/zinc/71/19/49/775711949.db2.gz WUCHTXYEHAGGJA-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380232 775826181 /nfs/dbraw/zinc/82/61/81/775826181.db2.gz PFXYSLACXYFWPW-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094380232 775826190 /nfs/dbraw/zinc/82/61/90/775826190.db2.gz PFXYSLACXYFWPW-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380232 775826203 /nfs/dbraw/zinc/82/62/03/775826203.db2.gz PFXYSLACXYFWPW-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001094469635 775918732 /nfs/dbraw/zinc/91/87/32/775918732.db2.gz WHWKDHLVVLRFNB-IEBWSBKVSA-N 2 1 322.412 1.942 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903524 776079674 /nfs/dbraw/zinc/07/96/74/776079674.db2.gz BSYRXRKUJMYUMF-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337517 776542708 /nfs/dbraw/zinc/54/27/08/776542708.db2.gz JXYSBPVRBOFXQV-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172966577 776945041 /nfs/dbraw/zinc/94/50/41/776945041.db2.gz ONBXEHZDRIETPL-GJZGRUSLSA-N 2 1 322.453 1.962 20 30 DDEDMP C=C(Cl)CN1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418520 777129223 /nfs/dbraw/zinc/12/92/23/777129223.db2.gz WBJUFTDVEPLEIP-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)CC[N@@H+](C)CC)C[C@]2(C)C1 ZINC001101418520 777129228 /nfs/dbraw/zinc/12/92/28/777129228.db2.gz WBJUFTDVEPLEIP-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418520 777129233 /nfs/dbraw/zinc/12/92/33/777129233.db2.gz WBJUFTDVEPLEIP-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418520 777129236 /nfs/dbraw/zinc/12/92/36/777129236.db2.gz WBJUFTDVEPLEIP-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418520 777129240 /nfs/dbraw/zinc/12/92/40/777129240.db2.gz WBJUFTDVEPLEIP-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001101588701 777280905 /nfs/dbraw/zinc/28/09/05/777280905.db2.gz ZSFPOJVVCHZRPX-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001095267995 777380726 /nfs/dbraw/zinc/38/07/26/777380726.db2.gz NAAXXRIRGZOLQQ-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001095267995 777380733 /nfs/dbraw/zinc/38/07/33/777380733.db2.gz NAAXXRIRGZOLQQ-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001095267995 777380739 /nfs/dbraw/zinc/38/07/39/777380739.db2.gz NAAXXRIRGZOLQQ-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001095267995 777380743 /nfs/dbraw/zinc/38/07/43/777380743.db2.gz NAAXXRIRGZOLQQ-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150334646 777424164 /nfs/dbraw/zinc/42/41/64/777424164.db2.gz ZBQMQVHUGQNIHK-HNNXBMFYSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150334646 777424167 /nfs/dbraw/zinc/42/41/67/777424167.db2.gz ZBQMQVHUGQNIHK-HNNXBMFYSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150334646 777424173 /nfs/dbraw/zinc/42/41/73/777424173.db2.gz ZBQMQVHUGQNIHK-HNNXBMFYSA-N 2 1 311.470 1.357 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060333 778609290 /nfs/dbraw/zinc/60/92/90/778609290.db2.gz GRBZGDPNMKNRPA-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060333 778609293 /nfs/dbraw/zinc/60/92/93/778609293.db2.gz GRBZGDPNMKNRPA-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060333 778609295 /nfs/dbraw/zinc/60/92/95/778609295.db2.gz GRBZGDPNMKNRPA-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103099738 778639023 /nfs/dbraw/zinc/63/90/23/778639023.db2.gz VRVFJIZSGPJFED-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103099738 778639027 /nfs/dbraw/zinc/63/90/27/778639027.db2.gz VRVFJIZSGPJFED-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC2)C[C@H]1C ZINC001103099738 778639033 /nfs/dbraw/zinc/63/90/33/778639033.db2.gz VRVFJIZSGPJFED-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC2CC2)C[C@H]1C ZINC001103099738 778639038 /nfs/dbraw/zinc/63/90/38/778639038.db2.gz VRVFJIZSGPJFED-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178535459 779082956 /nfs/dbraw/zinc/08/29/56/779082956.db2.gz JSLBZCXEYCFCJR-IRXDYDNUSA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878439 779208774 /nfs/dbraw/zinc/20/87/74/779208774.db2.gz VOYWIJAEQFVIKV-ULQDDVLXSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001179158433 779297450 /nfs/dbraw/zinc/29/74/50/779297450.db2.gz QYNMMARDLXICPH-GJZGRUSLSA-N 2 1 316.449 1.917 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179399172 779358407 /nfs/dbraw/zinc/35/84/07/779358407.db2.gz SDVXMADYMSYQBZ-BBWFWOEESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104212401 779374934 /nfs/dbraw/zinc/37/49/34/779374934.db2.gz GZLCTONIMICSMW-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111983850 779588139 /nfs/dbraw/zinc/58/81/39/779588139.db2.gz SJHRNNMYLQAYIW-RYRKJORJSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983850 779588142 /nfs/dbraw/zinc/58/81/42/779588142.db2.gz SJHRNNMYLQAYIW-RYRKJORJSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111983850 779588146 /nfs/dbraw/zinc/58/81/46/779588146.db2.gz SJHRNNMYLQAYIW-RYRKJORJSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285511 779689599 /nfs/dbraw/zinc/68/95/99/779689599.db2.gz ZZQKWGUSCIUBIP-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115243375 779974266 /nfs/dbraw/zinc/97/42/66/779974266.db2.gz MVZYDENAIYUADE-VQFNDLOPSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115243375 779974274 /nfs/dbraw/zinc/97/42/74/779974274.db2.gz MVZYDENAIYUADE-VQFNDLOPSA-N 2 1 316.449 1.984 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596516 780256466 /nfs/dbraw/zinc/25/64/66/780256466.db2.gz JXTPMDPDFCYHKB-MRXNPFEDSA-N 2 1 305.466 1.903 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267168780 837455516 /nfs/dbraw/zinc/45/55/16/837455516.db2.gz WWJNQYULQZFCAR-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001267175625 837472090 /nfs/dbraw/zinc/47/20/90/837472090.db2.gz XCMCLRNOHMACLM-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266321647 836117657 /nfs/dbraw/zinc/11/76/57/836117657.db2.gz SWPATSKMSUZRMH-GJZGRUSLSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266321647 836117659 /nfs/dbraw/zinc/11/76/59/836117659.db2.gz SWPATSKMSUZRMH-GJZGRUSLSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(C)s1 ZINC001266728680 836738444 /nfs/dbraw/zinc/73/84/44/836738444.db2.gz HKINCCMJBQBIRP-HNNXBMFYSA-N 2 1 320.462 1.097 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnc(C)s1 ZINC001266728680 836738450 /nfs/dbraw/zinc/73/84/50/836738450.db2.gz HKINCCMJBQBIRP-HNNXBMFYSA-N 2 1 320.462 1.097 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001279518027 836878734 /nfs/dbraw/zinc/87/87/34/836878734.db2.gz DFCIXEIYSIREJK-SJLPKXTDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001279518027 836878739 /nfs/dbraw/zinc/87/87/39/836878739.db2.gz DFCIXEIYSIREJK-SJLPKXTDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001279518027 836878744 /nfs/dbraw/zinc/87/87/44/836878744.db2.gz DFCIXEIYSIREJK-SJLPKXTDSA-N 2 1 323.481 1.238 20 30 DDEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267492172 838173687 /nfs/dbraw/zinc/17/36/87/838173687.db2.gz SDFZPKPXBGKOPB-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267535725 838264270 /nfs/dbraw/zinc/26/42/70/838264270.db2.gz DSJFXHBMBVSNBY-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001267535725 838264276 /nfs/dbraw/zinc/26/42/76/838264276.db2.gz DSJFXHBMBVSNBY-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001267535725 838264281 /nfs/dbraw/zinc/26/42/81/838264281.db2.gz DSJFXHBMBVSNBY-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)CCc2nccn2C)CC1 ZINC001267601188 838409693 /nfs/dbraw/zinc/40/96/93/838409693.db2.gz YSZMPXLXGANVEZ-UHFFFAOYSA-N 2 1 302.422 1.156 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001267956099 839263527 /nfs/dbraw/zinc/26/35/27/839263527.db2.gz URIDJGNOFUHSBC-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268306658 839976247 /nfs/dbraw/zinc/97/62/47/839976247.db2.gz CDEMMMBMHAEZIL-RDJZCZTQSA-N 2 1 323.481 1.284 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268715101 840703065 /nfs/dbraw/zinc/70/30/65/840703065.db2.gz HQPCOAVANOICQN-HNNXBMFYSA-N 2 1 310.401 1.338 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001269350243 841551087 /nfs/dbraw/zinc/55/10/87/841551087.db2.gz HAZNSOPZMBVIID-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001269350243 841551094 /nfs/dbraw/zinc/55/10/94/841551094.db2.gz HAZNSOPZMBVIID-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001269350241 841551335 /nfs/dbraw/zinc/55/13/35/841551335.db2.gz HAZNSOPZMBVIID-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001269350241 841551340 /nfs/dbraw/zinc/55/13/40/841551340.db2.gz HAZNSOPZMBVIID-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001269901762 842140242 /nfs/dbraw/zinc/14/02/42/842140242.db2.gz HQSLIZRLQIFGFN-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CC=C)CC1 ZINC001270338293 842498820 /nfs/dbraw/zinc/49/88/20/842498820.db2.gz AIRZMXQOIOYRPA-IRXDYDNUSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001270427224 842568775 /nfs/dbraw/zinc/56/87/75/842568775.db2.gz KFZNXLXDNQMPHH-WMZOPIPTSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001270427224 842568783 /nfs/dbraw/zinc/56/87/83/842568783.db2.gz KFZNXLXDNQMPHH-WMZOPIPTSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271017886 843137459 /nfs/dbraw/zinc/13/74/59/843137459.db2.gz ZKRMEZXDADSGNO-SFHVURJKSA-N 2 1 305.466 1.714 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCOCC1 ZINC001271044581 843159385 /nfs/dbraw/zinc/15/93/85/843159385.db2.gz SNQJDJPJCKPUHQ-UHFFFAOYSA-N 2 1 309.454 1.302 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001409483916 845169801 /nfs/dbraw/zinc/16/98/01/845169801.db2.gz ZUZNJYGEWJOMRR-CHWSQXEVSA-N 2 1 322.478 1.943 20 30 DDEDMP C=CCN1CC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272717616 846710160 /nfs/dbraw/zinc/71/01/60/846710160.db2.gz XKSTWTMJDMYRLZ-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001034283245 848249955 /nfs/dbraw/zinc/24/99/55/848249955.db2.gz TXTCECIRTBLWLV-CABCVRRESA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290249 848266750 /nfs/dbraw/zinc/26/67/50/848266750.db2.gz GZRHEWFBRACVNT-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001155255235 861898110 /nfs/dbraw/zinc/89/81/10/861898110.db2.gz OIQKQVYANQCBAA-QGZVFWFLSA-N 2 1 315.461 1.621 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001155255235 861898128 /nfs/dbraw/zinc/89/81/28/861898128.db2.gz OIQKQVYANQCBAA-QGZVFWFLSA-N 2 1 315.461 1.621 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001155255235 861898147 /nfs/dbraw/zinc/89/81/47/861898147.db2.gz OIQKQVYANQCBAA-QGZVFWFLSA-N 2 1 315.461 1.621 20 30 DDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364149 848416490 /nfs/dbraw/zinc/41/64/90/848416490.db2.gz RRXTVWBVBMEVPD-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364149 848416494 /nfs/dbraw/zinc/41/64/94/848416494.db2.gz RRXTVWBVBMEVPD-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364149 848416497 /nfs/dbraw/zinc/41/64/97/848416497.db2.gz RRXTVWBVBMEVPD-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364149 848416498 /nfs/dbraw/zinc/41/64/98/848416498.db2.gz RRXTVWBVBMEVPD-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001280505336 848693544 /nfs/dbraw/zinc/69/35/44/848693544.db2.gz LGZTZAVMRCQBTE-HNNXBMFYSA-N 2 1 314.433 1.406 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001410471697 849375660 /nfs/dbraw/zinc/37/56/60/849375660.db2.gz IAADXKURSDDNQK-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001273591005 851124891 /nfs/dbraw/zinc/12/48/91/851124891.db2.gz ATEMMRNHCHLTRJ-UHFFFAOYSA-N 2 1 323.481 1.293 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001273877571 851455415 /nfs/dbraw/zinc/45/54/15/851455415.db2.gz WYMOIWWPEAJDAF-FUHWJXTLSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001274550739 852385744 /nfs/dbraw/zinc/38/57/44/852385744.db2.gz ZQQPXSFQKVHYNS-MRXNPFEDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001275167231 852854464 /nfs/dbraw/zinc/85/44/64/852854464.db2.gz OJSDMDNDPPDTKS-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001275167231 852854476 /nfs/dbraw/zinc/85/44/76/852854476.db2.gz OJSDMDNDPPDTKS-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001275167231 852854485 /nfs/dbraw/zinc/85/44/85/852854485.db2.gz OJSDMDNDPPDTKS-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001275167231 852854490 /nfs/dbraw/zinc/85/44/90/852854490.db2.gz OJSDMDNDPPDTKS-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001275368758 853023154 /nfs/dbraw/zinc/02/31/54/853023154.db2.gz ZZMRWCLGOXPLGY-CALCHBBNSA-N 2 1 323.444 1.860 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001275368758 853023157 /nfs/dbraw/zinc/02/31/57/853023157.db2.gz ZZMRWCLGOXPLGY-CALCHBBNSA-N 2 1 323.444 1.860 20 30 DDEDMP CC[N@@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001411662793 853540298 /nfs/dbraw/zinc/54/02/98/853540298.db2.gz FQWWLNVCHSLSGT-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP CC[N@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001411662793 853540309 /nfs/dbraw/zinc/54/03/09/853540309.db2.gz FQWWLNVCHSLSGT-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150819324 862481792 /nfs/dbraw/zinc/48/17/92/862481792.db2.gz ZZNVVDZWZPDRBE-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150819324 862481798 /nfs/dbraw/zinc/48/17/98/862481798.db2.gz ZZNVVDZWZPDRBE-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC001275956083 854013030 /nfs/dbraw/zinc/01/30/30/854013030.db2.gz FEENGZAUCNKAGM-WBVHZDCISA-N 2 1 316.424 1.765 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC[C@H](C)F)CC1 ZINC001276013762 854161055 /nfs/dbraw/zinc/16/10/55/854161055.db2.gz ZOHNOAQVAVSIMT-GJZGRUSLSA-N 2 1 311.445 1.516 20 30 DDEDMP N#Cc1cc(Cl)c(Cl)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157097576 863573517 /nfs/dbraw/zinc/57/35/17/863573517.db2.gz ZZNBOOMXCVRKRD-UHFFFAOYSA-N 2 1 301.181 1.935 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC1(C[NH2+]CC#CCOC)CCCCC1 ZINC001276231364 855018099 /nfs/dbraw/zinc/01/80/99/855018099.db2.gz MXVFRFQGFMFHFD-UHFFFAOYSA-N 2 1 323.481 1.387 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198323 855171726 /nfs/dbraw/zinc/17/17/26/855171726.db2.gz UBMVRILSXYGVBI-BMFZPTHFSA-N 2 1 307.438 1.005 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001151147388 862650762 /nfs/dbraw/zinc/65/07/62/862650762.db2.gz LSBMYGJLZXWMNQ-UHFFFAOYSA-N 2 1 315.352 1.108 20 30 DDEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001328035943 862651901 /nfs/dbraw/zinc/65/19/01/862651901.db2.gz VQPPUJOHDIQFLY-SJORKVTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546763 856958797 /nfs/dbraw/zinc/95/87/97/856958797.db2.gz SQVSAYAAMALFNA-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049551160 856962374 /nfs/dbraw/zinc/96/23/74/856962374.db2.gz FDUWPHPNZJKFOA-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049551160 856962382 /nfs/dbraw/zinc/96/23/82/856962382.db2.gz FDUWPHPNZJKFOA-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001049563477 856980684 /nfs/dbraw/zinc/98/06/84/856980684.db2.gz BXFNKPSVHFSJSA-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563477 856980690 /nfs/dbraw/zinc/98/06/90/856980690.db2.gz BXFNKPSVHFSJSA-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563477 856980694 /nfs/dbraw/zinc/98/06/94/856980694.db2.gz BXFNKPSVHFSJSA-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918142 857887902 /nfs/dbraw/zinc/88/79/02/857887902.db2.gz VDOMLJBGHJBKOO-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001072918142 857887909 /nfs/dbraw/zinc/88/79/09/857887909.db2.gz VDOMLJBGHJBKOO-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001072918142 857887912 /nfs/dbraw/zinc/88/79/12/857887912.db2.gz VDOMLJBGHJBKOO-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072983056 857967171 /nfs/dbraw/zinc/96/71/71/857967171.db2.gz KBXCPGUYHRPZKK-TZMCWYRMSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072983056 857967184 /nfs/dbraw/zinc/96/71/84/857967184.db2.gz KBXCPGUYHRPZKK-TZMCWYRMSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072983056 857967193 /nfs/dbraw/zinc/96/71/93/857967193.db2.gz KBXCPGUYHRPZKK-TZMCWYRMSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072983056 857967205 /nfs/dbraw/zinc/96/72/05/857967205.db2.gz KBXCPGUYHRPZKK-TZMCWYRMSA-N 2 1 311.857 1.471 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050252 858047920 /nfs/dbraw/zinc/04/79/20/858047920.db2.gz QQMWTJYMQZCZMA-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050252 858047926 /nfs/dbraw/zinc/04/79/26/858047926.db2.gz QQMWTJYMQZCZMA-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050252 858047934 /nfs/dbraw/zinc/04/79/34/858047934.db2.gz QQMWTJYMQZCZMA-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073117925 858116270 /nfs/dbraw/zinc/11/62/70/858116270.db2.gz ARVRTENLNIZAJZ-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121773401 858593566 /nfs/dbraw/zinc/59/35/66/858593566.db2.gz ROGAMEIRWPPDAC-XOGYLQAWSA-N 2 1 303.450 1.369 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546576 881442376 /nfs/dbraw/zinc/44/23/76/881442376.db2.gz NVIILRGZIXUBNO-DOTOQJQBSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154381272 861060230 /nfs/dbraw/zinc/06/02/30/861060230.db2.gz KPYJVMOWYGKXQE-JBCIKUTRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154381272 861060245 /nfs/dbraw/zinc/06/02/45/861060245.db2.gz KPYJVMOWYGKXQE-JBCIKUTRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154381272 861060260 /nfs/dbraw/zinc/06/02/60/861060260.db2.gz KPYJVMOWYGKXQE-JBCIKUTRSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001328621541 863113107 /nfs/dbraw/zinc/11/31/07/863113107.db2.gz USWKQYZLWPPKGZ-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013169 863518417 /nfs/dbraw/zinc/51/84/17/863518417.db2.gz GFFJRZUVUXGFCX-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013169 863518433 /nfs/dbraw/zinc/51/84/33/863518433.db2.gz GFFJRZUVUXGFCX-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157013169 863518443 /nfs/dbraw/zinc/51/84/43/863518443.db2.gz GFFJRZUVUXGFCX-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157013169 863518455 /nfs/dbraw/zinc/51/84/55/863518455.db2.gz GFFJRZUVUXGFCX-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001157109067 863582807 /nfs/dbraw/zinc/58/28/07/863582807.db2.gz IIWKTJFLQKVVQR-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001157109067 863582815 /nfs/dbraw/zinc/58/28/15/863582815.db2.gz IIWKTJFLQKVVQR-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001157109067 863582817 /nfs/dbraw/zinc/58/28/17/863582817.db2.gz IIWKTJFLQKVVQR-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083509 864395339 /nfs/dbraw/zinc/39/53/39/864395339.db2.gz ZKGPAVAISIKHPM-MRXNPFEDSA-N 2 1 316.449 1.758 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC)CC1 ZINC001160385888 865807561 /nfs/dbraw/zinc/80/75/61/865807561.db2.gz AIYUJBCPDPKIOT-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160385888 865807564 /nfs/dbraw/zinc/80/75/64/865807564.db2.gz AIYUJBCPDPKIOT-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC)CC1 ZINC001160385888 865807568 /nfs/dbraw/zinc/80/75/68/865807568.db2.gz AIYUJBCPDPKIOT-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC)CC1 ZINC001160385888 865807574 /nfs/dbraw/zinc/80/75/74/865807574.db2.gz AIYUJBCPDPKIOT-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319748952 866269091 /nfs/dbraw/zinc/26/90/91/866269091.db2.gz BKGULTZFFAUHTP-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001323066757 866310406 /nfs/dbraw/zinc/31/04/06/866310406.db2.gz OQNFCFLIFZCQTQ-GOEBONIOSA-N 2 1 302.422 1.424 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001161205290 866440623 /nfs/dbraw/zinc/44/06/23/866440623.db2.gz CIRALCOLUYMTFQ-INIZCTEOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001333354379 866662769 /nfs/dbraw/zinc/66/27/69/866662769.db2.gz IGNFSZNQAFOGSR-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001333354379 866662779 /nfs/dbraw/zinc/66/27/79/866662779.db2.gz IGNFSZNQAFOGSR-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001333354379 866662786 /nfs/dbraw/zinc/66/27/86/866662786.db2.gz IGNFSZNQAFOGSR-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001324092152 867062493 /nfs/dbraw/zinc/06/24/93/867062493.db2.gz YXHCVAWJMJMZQK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001161924397 867104981 /nfs/dbraw/zinc/10/49/81/867104981.db2.gz ATHRBZWPPNEFEC-HOTGVXAUSA-N 2 1 303.450 1.631 20 30 DDEDMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC001381572925 882199264 /nfs/dbraw/zinc/19/92/64/882199264.db2.gz ZXSVDNVEYCACGH-ZDUSSCGKSA-N 2 1 320.412 1.586 20 30 DDEDMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001381572925 882199269 /nfs/dbraw/zinc/19/92/69/882199269.db2.gz ZXSVDNVEYCACGH-ZDUSSCGKSA-N 2 1 320.412 1.586 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)C1CC1 ZINC001317027782 870135197 /nfs/dbraw/zinc/13/51/97/870135197.db2.gz INHWWUWNTZBIPR-MRXNPFEDSA-N 2 1 318.421 1.554 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203506622 870604342 /nfs/dbraw/zinc/60/43/42/870604342.db2.gz KKBSTHXHKGKARQ-HOTGVXAUSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CC[NH2+]CC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC001340089296 870888211 /nfs/dbraw/zinc/88/82/11/870888211.db2.gz CQSOBOLEPOPAIY-UHFFFAOYSA-N 2 1 309.479 1.077 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001317188222 870955899 /nfs/dbraw/zinc/95/58/99/870955899.db2.gz DAHFWWOMDMKWRS-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCF ZINC001317188222 870955909 /nfs/dbraw/zinc/95/59/09/870955909.db2.gz DAHFWWOMDMKWRS-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCOCC1 ZINC001317432724 871302158 /nfs/dbraw/zinc/30/21/58/871302158.db2.gz UZUPRAJWJQTLMC-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCOCC1 ZINC001317432724 871302181 /nfs/dbraw/zinc/30/21/81/871302181.db2.gz UZUPRAJWJQTLMC-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205339880 871504654 /nfs/dbraw/zinc/50/46/54/871504654.db2.gz OGSWZGKQPNFUFR-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC001341768083 871817176 /nfs/dbraw/zinc/81/71/76/871817176.db2.gz PCZBSEFOWOXEAG-JKSUJKDBSA-N 2 1 317.433 1.852 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001316809465 872084792 /nfs/dbraw/zinc/08/47/92/872084792.db2.gz BXPQPBSRWPPNAL-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001318532048 872135596 /nfs/dbraw/zinc/13/55/96/872135596.db2.gz XLOGZKYPBLDNFF-WBVHZDCISA-N 2 1 305.466 1.901 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001318532043 872135675 /nfs/dbraw/zinc/13/56/75/872135675.db2.gz XLOGZKYPBLDNFF-DOTOQJQBSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001318803513 872279132 /nfs/dbraw/zinc/27/91/32/872279132.db2.gz GDSBGFGNTVZZBG-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208005167 873737110 /nfs/dbraw/zinc/73/71/10/873737110.db2.gz XEUJJXVCBQIGGV-IJEWVQPXSA-N 2 1 304.438 1.983 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208005167 873737118 /nfs/dbraw/zinc/73/71/18/873737118.db2.gz XEUJJXVCBQIGGV-IJEWVQPXSA-N 2 1 304.438 1.983 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208739364 874432591 /nfs/dbraw/zinc/43/25/91/874432591.db2.gz QGLGEOKPTQRNDA-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276586080 874449485 /nfs/dbraw/zinc/44/94/85/874449485.db2.gz BKNJWLKCNZWLAK-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP N#Cc1cnc2ccnn2c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262691 875293257 /nfs/dbraw/zinc/29/32/57/875293257.db2.gz NJBBZPJTIKUVNJ-UHFFFAOYSA-N 2 1 320.360 1.149 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC001353111201 877126298 /nfs/dbraw/zinc/12/62/98/877126298.db2.gz XUQOKYKFTXDUSL-INIZCTEOSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC001353111201 877126300 /nfs/dbraw/zinc/12/63/00/877126300.db2.gz XUQOKYKFTXDUSL-INIZCTEOSA-N 2 1 306.454 1.067 20 30 DDEDMP N#Cc1ccc(NC(=O)C[NH2+]CCC[NH3+])c(OC(F)(F)F)c1 ZINC001218839742 877760322 /nfs/dbraw/zinc/76/03/22/877760322.db2.gz FJJZPMKBGXTCBL-UHFFFAOYSA-N 2 1 316.283 1.334 20 30 DDEDMP Cc1[nH+]c(N)ccc1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220071928 878690806 /nfs/dbraw/zinc/69/08/06/878690806.db2.gz XQLPUKZOLQKVNR-INIZCTEOSA-N 2 1 323.400 1.420 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345269 878940997 /nfs/dbraw/zinc/94/09/97/878940997.db2.gz TZPPAPKERMTAIT-OAGGEKHMSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001374284270 912433723 /nfs/dbraw/zinc/43/37/23/912433723.db2.gz UGOJPXIYYGLSRD-GXTWGEPZSA-N 2 1 324.856 1.943 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001276841032 880712991 /nfs/dbraw/zinc/71/29/91/880712991.db2.gz UJSSNNHSPCMSOY-KSZLIROESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001276841032 880712999 /nfs/dbraw/zinc/71/29/99/880712999.db2.gz UJSSNNHSPCMSOY-KSZLIROESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001276841032 880713009 /nfs/dbraw/zinc/71/30/09/880713009.db2.gz UJSSNNHSPCMSOY-KSZLIROESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229626074 884082022 /nfs/dbraw/zinc/08/20/22/884082022.db2.gz QFAQJXZVOWALQB-UHFFFAOYSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001230147933 884350590 /nfs/dbraw/zinc/35/05/90/884350590.db2.gz XRXKLYSLHBCDND-HZPDHXFCSA-N 2 1 320.437 1.411 20 30 DDEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001277603296 886040366 /nfs/dbraw/zinc/04/03/66/886040366.db2.gz BGGVEBWDYWMHLY-IAGOWNOFSA-N 2 1 321.465 1.139 20 30 DDEDMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233383851 886964473 /nfs/dbraw/zinc/96/44/73/886964473.db2.gz YUIDITMRKKPTEC-UHFFFAOYSA-N 2 1 316.449 1.723 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001365856175 891729389 /nfs/dbraw/zinc/72/93/89/891729389.db2.gz BBCUZFUJZKXQCG-VHDGCEQUSA-N 2 1 313.873 1.955 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1ccccn1 ZINC001246307236 892530405 /nfs/dbraw/zinc/53/04/05/892530405.db2.gz LICNMIMHOZITPJ-ZBFHGGJFSA-N 2 1 305.422 1.829 20 30 DDEDMP N#Cc1cc(F)cc(-c2noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n2)c1 ZINC001248639289 893666054 /nfs/dbraw/zinc/66/60/54/893666054.db2.gz UUXBTSAAAAGRDY-NSHDSACASA-N 2 1 317.328 1.010 20 30 DDEDMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001366505604 893771246 /nfs/dbraw/zinc/77/12/46/893771246.db2.gz GGPBTOZTBUGXRL-WMLDXEAASA-N 2 1 314.433 1.494 20 30 DDEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001278693662 895616203 /nfs/dbraw/zinc/61/62/03/895616203.db2.gz PIBVSYJLUXDHAX-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001278693662 895616206 /nfs/dbraw/zinc/61/62/06/895616206.db2.gz PIBVSYJLUXDHAX-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001278693662 895616208 /nfs/dbraw/zinc/61/62/08/895616208.db2.gz PIBVSYJLUXDHAX-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001278693662 895616212 /nfs/dbraw/zinc/61/62/12/895616212.db2.gz PIBVSYJLUXDHAX-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001278800659 896545101 /nfs/dbraw/zinc/54/51/01/896545101.db2.gz PDHPQASLPRYHMW-WMZOPIPTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001278800659 896545113 /nfs/dbraw/zinc/54/51/13/896545113.db2.gz PDHPQASLPRYHMW-WMZOPIPTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001278800659 896545126 /nfs/dbraw/zinc/54/51/26/896545126.db2.gz PDHPQASLPRYHMW-WMZOPIPTSA-N 2 1 323.481 1.238 20 30 DDEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265161254 901648841 /nfs/dbraw/zinc/64/88/41/901648841.db2.gz HDBJLORBWCQDNS-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C1CC1 ZINC001266165745 903049759 /nfs/dbraw/zinc/04/97/59/903049759.db2.gz FBANBCXWAXJEII-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001279443473 903260482 /nfs/dbraw/zinc/26/04/82/903260482.db2.gz UILJLGXXAUGCKR-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C1([NH+](C)C)CCC1)CO2 ZINC001280945623 904226273 /nfs/dbraw/zinc/22/62/73/904226273.db2.gz UCCZZBYKLAWKIS-HNNXBMFYSA-N 2 1 321.465 1.396 20 30 DDEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001392689451 904914248 /nfs/dbraw/zinc/91/42/48/904914248.db2.gz NJQPTCZLNUDXFE-LBPRGKRZSA-N 2 1 308.451 1.508 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001392689451 904914260 /nfs/dbraw/zinc/91/42/60/904914260.db2.gz NJQPTCZLNUDXFE-LBPRGKRZSA-N 2 1 308.451 1.508 20 30 DDEDMP C=CCOCC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281517771 904968087 /nfs/dbraw/zinc/96/80/87/904968087.db2.gz FVQTWNPSSLVXNJ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281568564 905043693 /nfs/dbraw/zinc/04/36/93/905043693.db2.gz WGMBXGUZFOBFBF-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001281681910 905155004 /nfs/dbraw/zinc/15/50/04/905155004.db2.gz CCHYQCAHLAKVBC-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+](CC)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001281839662 905257569 /nfs/dbraw/zinc/25/75/69/905257569.db2.gz BJRIOQQGNMQMLE-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001281975411 905383383 /nfs/dbraw/zinc/38/33/83/905383383.db2.gz MYHNNGDQZULLSJ-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281975411 905383392 /nfs/dbraw/zinc/38/33/92/905383392.db2.gz MYHNNGDQZULLSJ-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281975411 905383407 /nfs/dbraw/zinc/38/34/07/905383407.db2.gz MYHNNGDQZULLSJ-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001283079220 906587048 /nfs/dbraw/zinc/58/70/48/906587048.db2.gz GDDJTLPYEBGGED-BZUAXINKSA-N 2 1 316.449 1.814 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](CO)[C@H]1CC ZINC000451247663 529485163 /nfs/dbraw/zinc/48/51/63/529485163.db2.gz AABGAWBQEWGEQL-WNRNVDISSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000060344334 352868179 /nfs/dbraw/zinc/86/81/79/352868179.db2.gz QOUSRMAQJKOKJN-AWEZNQCLSA-N 2 1 304.438 1.722 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029739 353705238 /nfs/dbraw/zinc/70/52/38/353705238.db2.gz OVQZYIZVUKTOSI-DZGCQCFKSA-N 2 1 302.422 1.899 20 30 DDEDMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594441430 356216914 /nfs/dbraw/zinc/21/69/14/356216914.db2.gz RRTSBXYQQOAXPW-MRXNPFEDSA-N 2 1 308.470 1.976 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(CC#N)c1 ZINC000597941498 357391411 /nfs/dbraw/zinc/39/14/11/357391411.db2.gz BFZMMXPJPCDUGL-HNNXBMFYSA-N 2 1 316.449 1.754 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(CC#N)c1 ZINC000597941498 357391415 /nfs/dbraw/zinc/39/14/15/357391415.db2.gz BFZMMXPJPCDUGL-HNNXBMFYSA-N 2 1 316.449 1.754 20 30 DDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CC3(CC#N)CC3)CC2)CC1 ZINC000602791934 359195363 /nfs/dbraw/zinc/19/53/63/359195363.db2.gz KDDWPEFDUIVHRW-UHFFFAOYSA-N 2 1 318.465 1.556 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(N(C)C)c1 ZINC000104162107 407348272 /nfs/dbraw/zinc/34/82/72/407348272.db2.gz HXFBTZMZJXGPJT-INIZCTEOSA-N 2 1 303.454 1.641 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000129834230 407630249 /nfs/dbraw/zinc/63/02/49/407630249.db2.gz SEKIKDOZLMEDMX-UHFFFAOYSA-N 2 1 302.422 1.433 20 30 DDEDMP CCc1cnc(CNC(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)=[NH+]C)s1 ZINC000131009556 407717705 /nfs/dbraw/zinc/71/77/05/407717705.db2.gz VJSCWNQJPIZWJM-NEPJUHHUSA-N 2 1 321.494 1.996 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000171907820 407793288 /nfs/dbraw/zinc/79/32/88/407793288.db2.gz IQWIHTOJQPKOGP-INIZCTEOSA-N 2 1 324.469 1.047 20 30 DDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954865 408291953 /nfs/dbraw/zinc/29/19/53/408291953.db2.gz IJEZPRFMLLNEHG-QGZVFWFLSA-N 2 1 324.513 1.369 20 30 DDEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281672806 408907323 /nfs/dbraw/zinc/90/73/23/408907323.db2.gz LSZOCOWRGUJEDF-UHFFFAOYSA-N 2 1 303.406 1.767 20 30 DDEDMP C#CCNC(=O)CC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000293832265 409189520 /nfs/dbraw/zinc/18/95/20/409189520.db2.gz PURGXZCCKPXZIS-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCNC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000293832265 409189523 /nfs/dbraw/zinc/18/95/23/409189523.db2.gz PURGXZCCKPXZIS-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCNC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000293832265 409189526 /nfs/dbraw/zinc/18/95/26/409189526.db2.gz PURGXZCCKPXZIS-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC(C)(C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000279330326 409192681 /nfs/dbraw/zinc/19/26/81/409192681.db2.gz TXWUBJLKKNPHEJ-MRXNPFEDSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC(C)(C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000279330326 409192684 /nfs/dbraw/zinc/19/26/84/409192684.db2.gz TXWUBJLKKNPHEJ-MRXNPFEDSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000294539305 409293520 /nfs/dbraw/zinc/29/35/20/409293520.db2.gz ANBPRJOYPFJBFY-AWEZNQCLSA-N 2 1 323.462 1.664 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000294539305 409293523 /nfs/dbraw/zinc/29/35/23/409293523.db2.gz ANBPRJOYPFJBFY-AWEZNQCLSA-N 2 1 323.462 1.664 20 30 DDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000329595371 410376150 /nfs/dbraw/zinc/37/61/50/410376150.db2.gz BUBJMAWXKCJCLP-XUJVJEKNSA-N 2 1 305.426 1.453 20 30 DDEDMP CC#CCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000360491088 418448075 /nfs/dbraw/zinc/44/80/75/418448075.db2.gz LZDFPPBODYVUKV-IAGOWNOFSA-N 2 1 308.466 1.990 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291454 222196317 /nfs/dbraw/zinc/19/63/17/222196317.db2.gz HQHOPBONFHJBPA-GOEBONIOSA-N 2 1 304.438 1.448 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N(C)C[C@@H]1CCOC1 ZINC000261742805 222256783 /nfs/dbraw/zinc/25/67/83/222256783.db2.gz ZXLUELUOUWZCOE-JYJNAYRXSA-N 2 1 310.486 1.793 20 30 DDEDMP CC[NH+](CC)[C@@H](CNC1=[NH+]CCN1C)c1cccc(OC)c1 ZINC000262475886 222283397 /nfs/dbraw/zinc/28/33/97/222283397.db2.gz BYZDOAOTYWXCHQ-INIZCTEOSA-N 2 1 304.438 1.969 20 30 DDEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000263093759 222302569 /nfs/dbraw/zinc/30/25/69/222302569.db2.gz JCECEGVPONYFSV-USXIJHARSA-N 2 1 316.449 1.461 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1cccc(F)c1 ZINC000264074488 222313605 /nfs/dbraw/zinc/31/36/05/222313605.db2.gz FEROZFFZGYQMTR-CQSZACIVSA-N 2 1 321.400 1.153 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NCCC[N@@H+](C)C(C)C)cc1OC ZINC000264101193 222318129 /nfs/dbraw/zinc/31/81/29/222318129.db2.gz NYJRLAQJNHSNFH-UHFFFAOYSA-N 2 1 322.453 1.838 20 30 DDEDMP COc1ccc(CCNC(=[NH2+])NCCCn2cc[nH+]c2C)cc1 ZINC000264120667 222320646 /nfs/dbraw/zinc/32/06/46/222320646.db2.gz UQUPQCLOSNIIMJ-UHFFFAOYSA-N 2 1 315.421 1.737 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000264122840 222321251 /nfs/dbraw/zinc/32/12/51/222321251.db2.gz VHQZZFSKKJJNEG-NSHDSACASA-N 2 1 302.382 1.015 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000267436251 222385631 /nfs/dbraw/zinc/38/56/31/222385631.db2.gz NXTDYFJJEIPRDT-IRXDYDNUSA-N 2 1 316.449 1.244 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377950311 418717808 /nfs/dbraw/zinc/71/78/08/418717808.db2.gz HLSVZBSBNOBGDX-GOSISDBHSA-N 2 1 323.456 1.803 20 30 DDEDMP CC(C)(C#N)CCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364464788 418778130 /nfs/dbraw/zinc/77/81/30/418778130.db2.gz NPORARDSIDIQIP-UHFFFAOYSA-N 2 1 323.481 1.866 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424140364 228234584 /nfs/dbraw/zinc/23/45/84/228234584.db2.gz FQWISKUYHWWQPR-WBVHZDCISA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000344167440 267181646 /nfs/dbraw/zinc/18/16/46/267181646.db2.gz KWSFLPTVECIZDY-WMLDXEAASA-N 2 1 314.433 1.796 20 30 DDEDMP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)c1 ZINC000424137847 534707323 /nfs/dbraw/zinc/70/73/23/534707323.db2.gz PKOPLXIZHHLMNH-QGZVFWFLSA-N 2 1 314.433 1.660 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000491764082 526810156 /nfs/dbraw/zinc/81/01/56/526810156.db2.gz CMCANEZWRZKQHG-UHFFFAOYSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491352174 526987930 /nfs/dbraw/zinc/98/79/30/526987930.db2.gz YAVTYBAIDCTPEM-AEFFLSMTSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491352174 526987933 /nfs/dbraw/zinc/98/79/33/526987933.db2.gz YAVTYBAIDCTPEM-AEFFLSMTSA-N 2 1 313.445 1.769 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC000980274176 696725286 /nfs/dbraw/zinc/72/52/86/696725286.db2.gz MIHWOGSAEWHNDB-HRCADAONSA-N 2 1 302.422 1.676 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC2CC2)C1 ZINC000971704520 695069134 /nfs/dbraw/zinc/06/91/34/695069134.db2.gz SGLLRJOITUDKQZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC000971704520 695069138 /nfs/dbraw/zinc/06/91/38/695069138.db2.gz SGLLRJOITUDKQZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC2CC2)C1 ZINC000971704520 695069139 /nfs/dbraw/zinc/06/91/39/695069139.db2.gz SGLLRJOITUDKQZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC2CC2)C1 ZINC000971704520 695069143 /nfs/dbraw/zinc/06/91/43/695069143.db2.gz SGLLRJOITUDKQZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180405 695170111 /nfs/dbraw/zinc/17/01/11/695170111.db2.gz YCDCVCUPJXWBEX-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180405 695170114 /nfs/dbraw/zinc/17/01/14/695170114.db2.gz YCDCVCUPJXWBEX-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974829734 695744486 /nfs/dbraw/zinc/74/44/86/695744486.db2.gz RTBDQPNEMYPEMJ-INIZCTEOSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041192 695783082 /nfs/dbraw/zinc/78/30/82/695783082.db2.gz RLCFJHKKIANEJI-KDOFPFPSSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041192 695783083 /nfs/dbraw/zinc/78/30/83/695783083.db2.gz RLCFJHKKIANEJI-KDOFPFPSSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041192 695783084 /nfs/dbraw/zinc/78/30/84/695783084.db2.gz RLCFJHKKIANEJI-KDOFPFPSSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041192 695783085 /nfs/dbraw/zinc/78/30/85/695783085.db2.gz RLCFJHKKIANEJI-KDOFPFPSSA-N 2 1 323.456 1.659 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977615455 696235566 /nfs/dbraw/zinc/23/55/66/696235566.db2.gz MHKYNSYMFOJANF-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977615455 696235567 /nfs/dbraw/zinc/23/55/67/696235567.db2.gz MHKYNSYMFOJANF-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977615455 696235569 /nfs/dbraw/zinc/23/55/69/696235569.db2.gz MHKYNSYMFOJANF-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977615455 696235570 /nfs/dbraw/zinc/23/55/70/696235570.db2.gz MHKYNSYMFOJANF-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978263272 696353796 /nfs/dbraw/zinc/35/37/96/696353796.db2.gz BYMAEGNYBZDDKP-LVQVYYBASA-N 2 1 312.417 1.078 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978263272 696353798 /nfs/dbraw/zinc/35/37/98/696353798.db2.gz BYMAEGNYBZDDKP-LVQVYYBASA-N 2 1 312.417 1.078 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC000978280640 696357308 /nfs/dbraw/zinc/35/73/08/696357308.db2.gz JSEJSPFUHASKDY-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC)C[C@H]21 ZINC000978280640 696357311 /nfs/dbraw/zinc/35/73/11/696357311.db2.gz JSEJSPFUHASKDY-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCC)C[C@H]21 ZINC000978280640 696357313 /nfs/dbraw/zinc/35/73/13/696357313.db2.gz JSEJSPFUHASKDY-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCC)C[C@H]21 ZINC000978280640 696357316 /nfs/dbraw/zinc/35/73/16/696357316.db2.gz JSEJSPFUHASKDY-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086514354 696566283 /nfs/dbraw/zinc/56/62/83/696566283.db2.gz QWUNYFDGNPBMRU-GOOCMWNKSA-N 2 1 308.470 1.472 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980154148 696695093 /nfs/dbraw/zinc/69/50/93/696695093.db2.gz ZKGIDDFSXQAJGF-ARFHVFGLSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980154148 696695094 /nfs/dbraw/zinc/69/50/94/696695094.db2.gz ZKGIDDFSXQAJGF-ARFHVFGLSA-N 2 1 300.406 1.041 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980185182 696703355 /nfs/dbraw/zinc/70/33/55/696703355.db2.gz KYWUJHNYMMAHSN-OKZBNKHCSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767612 696908709 /nfs/dbraw/zinc/90/87/09/696908709.db2.gz UOQUEHHWEAAZEJ-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767612 696908712 /nfs/dbraw/zinc/90/87/12/696908712.db2.gz UOQUEHHWEAAZEJ-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767612 696908713 /nfs/dbraw/zinc/90/87/13/696908713.db2.gz UOQUEHHWEAAZEJ-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957705 696984138 /nfs/dbraw/zinc/98/41/38/696984138.db2.gz RKFSJLFCDUUGQO-GOSISDBHSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957705 696984139 /nfs/dbraw/zinc/98/41/39/696984139.db2.gz RKFSJLFCDUUGQO-GOSISDBHSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957705 696984141 /nfs/dbraw/zinc/98/41/41/696984141.db2.gz RKFSJLFCDUUGQO-GOSISDBHSA-N 2 1 323.456 1.757 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013496 697003370 /nfs/dbraw/zinc/00/33/70/697003370.db2.gz UKQSRGHXTQNYTI-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013496 697003372 /nfs/dbraw/zinc/00/33/72/697003372.db2.gz UKQSRGHXTQNYTI-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013496 697003374 /nfs/dbraw/zinc/00/33/74/697003374.db2.gz UKQSRGHXTQNYTI-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185359 697028896 /nfs/dbraw/zinc/02/88/96/697028896.db2.gz UMKYTQKIOURXEF-OLZOCXBDSA-N 2 1 306.410 1.553 20 30 DDEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982148579 697042597 /nfs/dbraw/zinc/04/25/97/697042597.db2.gz OCPBXIVBHAAXBA-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982148579 697042600 /nfs/dbraw/zinc/04/26/00/697042600.db2.gz OCPBXIVBHAAXBA-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982148579 697042603 /nfs/dbraw/zinc/04/26/03/697042603.db2.gz OCPBXIVBHAAXBA-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982148579 697042605 /nfs/dbraw/zinc/04/26/05/697042605.db2.gz OCPBXIVBHAAXBA-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982152269 697044057 /nfs/dbraw/zinc/04/40/57/697044057.db2.gz VNTDTNVVYPHIJW-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982152269 697044058 /nfs/dbraw/zinc/04/40/58/697044058.db2.gz VNTDTNVVYPHIJW-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000982152269 697044061 /nfs/dbraw/zinc/04/40/61/697044061.db2.gz VNTDTNVVYPHIJW-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982152269 697044063 /nfs/dbraw/zinc/04/40/63/697044063.db2.gz VNTDTNVVYPHIJW-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982221026 697064103 /nfs/dbraw/zinc/06/41/03/697064103.db2.gz HTKMWGZDJWYCEH-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982724474 697173053 /nfs/dbraw/zinc/17/30/53/697173053.db2.gz DACZYXJHXVRMFL-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982724474 697173054 /nfs/dbraw/zinc/17/30/54/697173054.db2.gz DACZYXJHXVRMFL-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982724474 697173055 /nfs/dbraw/zinc/17/30/55/697173055.db2.gz DACZYXJHXVRMFL-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH+]1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000800367003 700218440 /nfs/dbraw/zinc/21/84/40/700218440.db2.gz QISUPZZZGCLTRO-UHFFFAOYSA-N 2 1 306.498 1.043 20 30 DDEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261999563 698449783 /nfs/dbraw/zinc/44/97/83/698449783.db2.gz TZQPANMGSMUPQT-MRRJBJDNSA-N 2 1 320.437 1.135 20 30 DDEDMP CC(C)NC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000303768994 698605707 /nfs/dbraw/zinc/60/57/07/698605707.db2.gz ARPILCLZTWJQQV-UHFFFAOYSA-N 2 1 303.454 1.247 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303883617 698609007 /nfs/dbraw/zinc/60/90/07/698609007.db2.gz IRMJXFVAMRZJHU-BBWFWOEESA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303883617 698609009 /nfs/dbraw/zinc/60/90/09/698609009.db2.gz IRMJXFVAMRZJHU-BBWFWOEESA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303883617 698609011 /nfs/dbraw/zinc/60/90/11/698609011.db2.gz IRMJXFVAMRZJHU-BBWFWOEESA-N 3 1 323.529 1.743 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CCCCCCC1 ZINC000303887937 698609126 /nfs/dbraw/zinc/60/91/26/698609126.db2.gz OPFMPUNGXBOIQX-UHFFFAOYSA-N 2 1 310.486 1.974 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483918 698639376 /nfs/dbraw/zinc/63/93/76/698639376.db2.gz YPYBHLFSABBUPS-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358967 699306046 /nfs/dbraw/zinc/30/60/46/699306046.db2.gz KGNBXVAOCGXLDN-ANQUJSFKSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358967 699306049 /nfs/dbraw/zinc/30/60/49/699306049.db2.gz KGNBXVAOCGXLDN-ANQUJSFKSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358967 699306053 /nfs/dbraw/zinc/30/60/53/699306053.db2.gz KGNBXVAOCGXLDN-ANQUJSFKSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358967 699306055 /nfs/dbraw/zinc/30/60/55/699306055.db2.gz KGNBXVAOCGXLDN-ANQUJSFKSA-N 2 1 307.438 1.005 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000852359763 704024342 /nfs/dbraw/zinc/02/43/42/704024342.db2.gz MMGHCGNWZJPIAU-MRXNPFEDSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852359763 704024346 /nfs/dbraw/zinc/02/43/46/704024346.db2.gz MMGHCGNWZJPIAU-MRXNPFEDSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852359763 704024349 /nfs/dbraw/zinc/02/43/49/704024349.db2.gz MMGHCGNWZJPIAU-MRXNPFEDSA-N 2 1 320.481 1.648 20 30 DDEDMP Cc1ccc(NCCCNC(=O)C#CC2CC[NH2+]CC2)[nH+]c1 ZINC000852868486 704154697 /nfs/dbraw/zinc/15/46/97/704154697.db2.gz GUNJEZLGWSYMCO-UHFFFAOYSA-N 2 1 300.406 1.311 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876737288 705849076 /nfs/dbraw/zinc/84/90/76/705849076.db2.gz POYKUIPKFQXZQP-PBHICJAKSA-N 2 1 310.401 1.098 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876737288 705849078 /nfs/dbraw/zinc/84/90/78/705849078.db2.gz POYKUIPKFQXZQP-PBHICJAKSA-N 2 1 310.401 1.098 20 30 DDEDMP COc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1C#N ZINC000877116898 705988667 /nfs/dbraw/zinc/98/86/67/705988667.db2.gz YTDHQJZAJOKYGI-UHFFFAOYSA-N 2 1 317.433 1.892 20 30 DDEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834494824 707070936 /nfs/dbraw/zinc/07/09/36/707070936.db2.gz PSLNGHWBFODRHF-SJORKVTESA-N 2 1 314.433 1.760 20 30 DDEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000873219497 707774420 /nfs/dbraw/zinc/77/44/20/707774420.db2.gz IYUIGSLRXOJHKL-KRWDZBQOSA-N 2 1 314.433 1.230 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000884200621 708185823 /nfs/dbraw/zinc/18/58/23/708185823.db2.gz GZADGLWOGKSSGP-CVEARBPZSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000884200621 708185826 /nfs/dbraw/zinc/18/58/26/708185826.db2.gz GZADGLWOGKSSGP-CVEARBPZSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000884200621 708185829 /nfs/dbraw/zinc/18/58/29/708185829.db2.gz GZADGLWOGKSSGP-CVEARBPZSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000884200621 708185833 /nfs/dbraw/zinc/18/58/33/708185833.db2.gz GZADGLWOGKSSGP-CVEARBPZSA-N 2 1 306.454 1.114 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884204349 708188875 /nfs/dbraw/zinc/18/88/75/708188875.db2.gz TZPKBKGRHPVMKD-JBCIKUTRSA-N 2 1 318.465 1.362 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1 ZINC000886661293 708808795 /nfs/dbraw/zinc/80/87/95/708808795.db2.gz QWXKAAQGZFRDNP-GBESFXJTSA-N 2 1 321.509 1.811 20 30 DDEDMP C#CCN(C(=S)NC[C@@H]1CCC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000899614108 709126694 /nfs/dbraw/zinc/12/66/94/709126694.db2.gz XJXLEWWPROTVHW-INIZCTEOSA-N 2 1 322.522 1.375 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000890368978 709842048 /nfs/dbraw/zinc/84/20/48/709842048.db2.gz PITKOGPTEQARMK-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000890368978 709842052 /nfs/dbraw/zinc/84/20/52/709842052.db2.gz PITKOGPTEQARMK-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000890368978 709842058 /nfs/dbraw/zinc/84/20/58/709842058.db2.gz PITKOGPTEQARMK-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000890368978 709842065 /nfs/dbraw/zinc/84/20/65/709842065.db2.gz PITKOGPTEQARMK-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP CC[NH+]1CCC([N@@H+]2CCCN(c3ccnc(C#N)c3)CC2)CC1 ZINC000912205281 711220643 /nfs/dbraw/zinc/22/06/43/711220643.db2.gz OBXJEVSVKRHBJN-UHFFFAOYSA-N 2 1 313.449 1.950 20 30 DDEDMP CC[NH+]1CCC([N@H+]2CCCN(c3ccnc(C#N)c3)CC2)CC1 ZINC000912205281 711220647 /nfs/dbraw/zinc/22/06/47/711220647.db2.gz OBXJEVSVKRHBJN-UHFFFAOYSA-N 2 1 313.449 1.950 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=S)NC[C@@H]2CCC[N@H+]2CC)C1 ZINC000905572828 712082482 /nfs/dbraw/zinc/08/24/82/712082482.db2.gz ZHPTZRMZCYTKFM-GJZGRUSLSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=S)NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000905572828 712082485 /nfs/dbraw/zinc/08/24/85/712082485.db2.gz ZHPTZRMZCYTKFM-GJZGRUSLSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=S)NC[C@@H]2CCC[NH+]2CC)C1 ZINC000905572828 712082487 /nfs/dbraw/zinc/08/24/87/712082487.db2.gz ZHPTZRMZCYTKFM-GJZGRUSLSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=S)NC[C@@H]2CCC[NH+]2CC)C1 ZINC000905572828 712082489 /nfs/dbraw/zinc/08/24/89/712082489.db2.gz ZHPTZRMZCYTKFM-GJZGRUSLSA-N 2 1 308.495 1.032 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000923414798 714348569 /nfs/dbraw/zinc/34/85/69/714348569.db2.gz PBOAQPUAUBHNIS-NUJGCVRESA-N 2 1 315.417 1.372 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960721996 716668621 /nfs/dbraw/zinc/66/86/21/716668621.db2.gz LFRZMVFOOFFHTR-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960721996 716668624 /nfs/dbraw/zinc/66/86/24/716668624.db2.gz LFRZMVFOOFFHTR-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960721996 716668625 /nfs/dbraw/zinc/66/86/25/716668625.db2.gz LFRZMVFOOFFHTR-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940744718 716940667 /nfs/dbraw/zinc/94/06/67/716940667.db2.gz LAFNCIRIZCIRHU-CVEARBPZSA-N 2 1 305.466 1.731 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223938 717133529 /nfs/dbraw/zinc/13/35/29/717133529.db2.gz OFCNBIWFHZVEFN-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223938 717133530 /nfs/dbraw/zinc/13/35/30/717133530.db2.gz OFCNBIWFHZVEFN-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961954168 717259421 /nfs/dbraw/zinc/25/94/21/717259421.db2.gz DJRGQIGTBFCDBP-MWDXBVQZSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942208792 717549305 /nfs/dbraw/zinc/54/93/05/717549305.db2.gz RTQGDONXGQGZFW-HIFRSBDPSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942208792 717549308 /nfs/dbraw/zinc/54/93/08/717549308.db2.gz RTQGDONXGQGZFW-HIFRSBDPSA-N 2 1 318.421 1.200 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581790 717760763 /nfs/dbraw/zinc/76/07/63/717760763.db2.gz MXYQEETXUQSIJC-ZFWWWQNUSA-N 2 1 305.422 1.967 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943513834 718134333 /nfs/dbraw/zinc/13/43/33/718134333.db2.gz ANVJKIDOCOKDDN-HOCLYGCPSA-N 2 1 319.453 1.071 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536703 718822969 /nfs/dbraw/zinc/82/29/69/718822969.db2.gz VAGMVHDVMUINSF-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536703 718822977 /nfs/dbraw/zinc/82/29/77/718822977.db2.gz VAGMVHDVMUINSF-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536703 718822984 /nfs/dbraw/zinc/82/29/84/718822984.db2.gz VAGMVHDVMUINSF-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536703 718822990 /nfs/dbraw/zinc/82/29/90/718822990.db2.gz VAGMVHDVMUINSF-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374521 718860616 /nfs/dbraw/zinc/86/06/16/718860616.db2.gz CUPIZVKQQUQYES-WMLDXEAASA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374521 718860620 /nfs/dbraw/zinc/86/06/20/718860620.db2.gz CUPIZVKQQUQYES-WMLDXEAASA-N 2 1 310.401 1.798 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644545 718864073 /nfs/dbraw/zinc/86/40/73/718864073.db2.gz GWNDAEIZRQPMLQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644545 718864076 /nfs/dbraw/zinc/86/40/76/718864076.db2.gz GWNDAEIZRQPMLQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644545 718864080 /nfs/dbraw/zinc/86/40/80/718864080.db2.gz GWNDAEIZRQPMLQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779120 718905937 /nfs/dbraw/zinc/90/59/37/718905937.db2.gz GWQRAXDNHKUOAL-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779120 718905939 /nfs/dbraw/zinc/90/59/39/718905939.db2.gz GWQRAXDNHKUOAL-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779120 718905941 /nfs/dbraw/zinc/90/59/41/718905941.db2.gz GWQRAXDNHKUOAL-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856639 718927858 /nfs/dbraw/zinc/92/78/58/718927858.db2.gz LLTHDHPGRVSTNV-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856639 718927860 /nfs/dbraw/zinc/92/78/60/718927860.db2.gz LLTHDHPGRVSTNV-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856639 718927862 /nfs/dbraw/zinc/92/78/62/718927862.db2.gz LLTHDHPGRVSTNV-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726195 719254786 /nfs/dbraw/zinc/25/47/86/719254786.db2.gz KFYYLBLISZUFFH-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726195 719254790 /nfs/dbraw/zinc/25/47/90/719254790.db2.gz KFYYLBLISZUFFH-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726195 719254792 /nfs/dbraw/zinc/25/47/92/719254792.db2.gz KFYYLBLISZUFFH-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C[C@H]1C ZINC000947771214 719265424 /nfs/dbraw/zinc/26/54/24/719265424.db2.gz IHUQFRQYKNWIHK-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771214 719265426 /nfs/dbraw/zinc/26/54/26/719265426.db2.gz IHUQFRQYKNWIHK-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771214 719265428 /nfs/dbraw/zinc/26/54/28/719265428.db2.gz IHUQFRQYKNWIHK-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775722 719701299 /nfs/dbraw/zinc/70/12/99/719701299.db2.gz PIAFRWLNFDUCMK-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775722 719701300 /nfs/dbraw/zinc/70/13/00/719701300.db2.gz PIAFRWLNFDUCMK-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775722 719701306 /nfs/dbraw/zinc/70/13/06/719701306.db2.gz PIAFRWLNFDUCMK-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000948781975 719705494 /nfs/dbraw/zinc/70/54/94/719705494.db2.gz CLJCNQQILUGKAR-ARFHVFGLSA-N 2 1 314.433 1.470 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968677182 719730175 /nfs/dbraw/zinc/73/01/75/719730175.db2.gz YSGWXLZZPYVZGG-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)CC[C@H]2C)CC1 ZINC000968680487 719732948 /nfs/dbraw/zinc/73/29/48/719732948.db2.gz AATXAEMYKKSZDU-NVXWUHKLSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968866410 719831163 /nfs/dbraw/zinc/83/11/63/719831163.db2.gz HNAKXSMHKBAPGF-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968866410 719831169 /nfs/dbraw/zinc/83/11/69/719831169.db2.gz HNAKXSMHKBAPGF-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968866410 719831174 /nfs/dbraw/zinc/83/11/74/719831174.db2.gz HNAKXSMHKBAPGF-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000969963214 720578690 /nfs/dbraw/zinc/57/86/90/720578690.db2.gz VVLCQJBFEDZOGS-UONOGXRCSA-N 2 1 322.840 1.697 20 30 DDEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971553829 721352917 /nfs/dbraw/zinc/35/29/17/721352917.db2.gz VJERYULFRVTASX-CABCVRRESA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971553829 721352921 /nfs/dbraw/zinc/35/29/21/721352921.db2.gz VJERYULFRVTASX-CABCVRRESA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027635141 738492572 /nfs/dbraw/zinc/49/25/72/738492572.db2.gz SKDDYPCGWXWISN-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264950 733080717 /nfs/dbraw/zinc/08/07/17/733080717.db2.gz MATGKTZWNXZVAG-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264885 733080880 /nfs/dbraw/zinc/08/08/80/733080880.db2.gz JIGZSHXBOQILKB-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291630 733291073 /nfs/dbraw/zinc/29/10/73/733291073.db2.gz QOTLUWADLAALTH-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001039382290 733649212 /nfs/dbraw/zinc/64/92/12/733649212.db2.gz LEVSDFRFAUEAED-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001039382290 733649214 /nfs/dbraw/zinc/64/92/14/733649214.db2.gz LEVSDFRFAUEAED-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039382290 733649217 /nfs/dbraw/zinc/64/92/17/733649217.db2.gz LEVSDFRFAUEAED-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039382290 733649220 /nfs/dbraw/zinc/64/92/20/733649220.db2.gz LEVSDFRFAUEAED-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886928 738774842 /nfs/dbraw/zinc/77/48/42/738774842.db2.gz DIFHQJHVAWSIPR-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024478126 735855781 /nfs/dbraw/zinc/85/57/81/735855781.db2.gz RLOREDCWKWDCQM-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024478126 735855786 /nfs/dbraw/zinc/85/57/86/735855786.db2.gz RLOREDCWKWDCQM-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024478126 735855788 /nfs/dbraw/zinc/85/57/88/735855788.db2.gz RLOREDCWKWDCQM-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024505643 735883536 /nfs/dbraw/zinc/88/35/36/735883536.db2.gz FTWSQFPNYYZJIT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024505643 735883539 /nfs/dbraw/zinc/88/35/39/735883539.db2.gz FTWSQFPNYYZJIT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024505643 735883546 /nfs/dbraw/zinc/88/35/46/735883546.db2.gz FTWSQFPNYYZJIT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024505643 735883554 /nfs/dbraw/zinc/88/35/54/735883554.db2.gz FTWSQFPNYYZJIT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024807192 736103973 /nfs/dbraw/zinc/10/39/73/736103973.db2.gz ANBDTIPPEFTUOY-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024807192 736103974 /nfs/dbraw/zinc/10/39/74/736103974.db2.gz ANBDTIPPEFTUOY-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807192 736103976 /nfs/dbraw/zinc/10/39/76/736103976.db2.gz ANBDTIPPEFTUOY-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807192 736103978 /nfs/dbraw/zinc/10/39/78/736103978.db2.gz ANBDTIPPEFTUOY-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001020025682 736981914 /nfs/dbraw/zinc/98/19/14/736981914.db2.gz YFEMJHXMYMZSLB-SRVKXCTJSA-N 2 1 316.243 1.226 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473000 738331061 /nfs/dbraw/zinc/33/10/61/738331061.db2.gz BVXYTEWLZBTSJA-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027473000 738331058 /nfs/dbraw/zinc/33/10/58/738331058.db2.gz BVXYTEWLZBTSJA-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027473000 738331066 /nfs/dbraw/zinc/33/10/66/738331066.db2.gz BVXYTEWLZBTSJA-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027547893 738393982 /nfs/dbraw/zinc/39/39/82/738393982.db2.gz YMMMKCHAYCHTSL-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027547893 738393987 /nfs/dbraw/zinc/39/39/87/738393987.db2.gz YMMMKCHAYCHTSL-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547893 738393992 /nfs/dbraw/zinc/39/39/92/738393992.db2.gz YMMMKCHAYCHTSL-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547893 738393998 /nfs/dbraw/zinc/39/39/98/738393998.db2.gz YMMMKCHAYCHTSL-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001035362888 751447738 /nfs/dbraw/zinc/44/77/38/751447738.db2.gz WTJVTCWZYNRHFR-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035362888 751447742 /nfs/dbraw/zinc/44/77/42/751447742.db2.gz WTJVTCWZYNRHFR-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035362888 751447744 /nfs/dbraw/zinc/44/77/44/751447744.db2.gz WTJVTCWZYNRHFR-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035362888 751447749 /nfs/dbraw/zinc/44/77/49/751447749.db2.gz WTJVTCWZYNRHFR-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028546611 739651119 /nfs/dbraw/zinc/65/11/19/739651119.db2.gz BGHWSSOREAYEJK-HNNXBMFYSA-N 2 1 319.453 1.073 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103643503 739713978 /nfs/dbraw/zinc/71/39/78/739713978.db2.gz MXYPIQMUSCBJAV-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028604510 739781385 /nfs/dbraw/zinc/78/13/85/739781385.db2.gz ZUMNLVQJNLWVRE-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001028604510 739781389 /nfs/dbraw/zinc/78/13/89/739781389.db2.gz ZUMNLVQJNLWVRE-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)C)C1 ZINC001028604510 739781392 /nfs/dbraw/zinc/78/13/92/739781392.db2.gz ZUMNLVQJNLWVRE-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)C)C1 ZINC001028604510 739781396 /nfs/dbraw/zinc/78/13/96/739781396.db2.gz ZUMNLVQJNLWVRE-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028645798 739844646 /nfs/dbraw/zinc/84/46/46/739844646.db2.gz PDXAKTJQJZZQIR-HNNXBMFYSA-N 2 1 310.401 1.718 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028681379 739911834 /nfs/dbraw/zinc/91/18/34/739911834.db2.gz VEHTUBYENBSMEQ-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001028810939 740069301 /nfs/dbraw/zinc/06/93/01/740069301.db2.gz FNSCWTFWDJJBMG-RRFJBIMHSA-N 2 1 302.422 1.538 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028856654 740114778 /nfs/dbraw/zinc/11/47/78/740114778.db2.gz MHYVLFAOVWJLNF-OAHLLOKOSA-N 2 1 319.453 1.073 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901411 740157382 /nfs/dbraw/zinc/15/73/82/740157382.db2.gz BUZPWLHMKTYCGH-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP CC[C@H](C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)C(=O)NO ZINC001167981552 740337965 /nfs/dbraw/zinc/33/79/65/740337965.db2.gz AHSWQETWHIEFBJ-HBDLXDMFSA-N 2 1 309.454 1.902 20 30 DDEDMP CC[C@H](C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)NO ZINC001167981552 740337966 /nfs/dbraw/zinc/33/79/66/740337966.db2.gz AHSWQETWHIEFBJ-HBDLXDMFSA-N 2 1 309.454 1.902 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602372 740673295 /nfs/dbraw/zinc/67/32/95/740673295.db2.gz MLVKHXLXGQXHCG-YESZJQIVSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602372 740673297 /nfs/dbraw/zinc/67/32/97/740673297.db2.gz MLVKHXLXGQXHCG-YESZJQIVSA-N 2 1 305.466 1.852 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964437 740891406 /nfs/dbraw/zinc/89/14/06/740891406.db2.gz KXJCKYUSZYQPKD-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964437 740891408 /nfs/dbraw/zinc/89/14/08/740891408.db2.gz KXJCKYUSZYQPKD-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964437 740891412 /nfs/dbraw/zinc/89/14/12/740891412.db2.gz KXJCKYUSZYQPKD-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972178 740899986 /nfs/dbraw/zinc/89/99/86/740899986.db2.gz PUCCEDLFVQSDTQ-LTIDMASMSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972178 740899991 /nfs/dbraw/zinc/89/99/91/740899991.db2.gz PUCCEDLFVQSDTQ-LTIDMASMSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972178 740899993 /nfs/dbraw/zinc/89/99/93/740899993.db2.gz PUCCEDLFVQSDTQ-LTIDMASMSA-N 2 1 303.450 1.130 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970899 740901012 /nfs/dbraw/zinc/90/10/12/740901012.db2.gz VAGAIKLZUWSLPV-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970899 740901016 /nfs/dbraw/zinc/90/10/16/740901016.db2.gz VAGAIKLZUWSLPV-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970899 740901018 /nfs/dbraw/zinc/90/10/18/740901018.db2.gz VAGAIKLZUWSLPV-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106716 741034812 /nfs/dbraw/zinc/03/48/12/741034812.db2.gz NMBAACRNQXFQIB-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106716 741034816 /nfs/dbraw/zinc/03/48/16/741034816.db2.gz NMBAACRNQXFQIB-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106716 741034820 /nfs/dbraw/zinc/03/48/20/741034820.db2.gz NMBAACRNQXFQIB-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001088202002 741104788 /nfs/dbraw/zinc/10/47/88/741104788.db2.gz GDFAAVUNUGKGAU-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202002 741104792 /nfs/dbraw/zinc/10/47/92/741104792.db2.gz GDFAAVUNUGKGAU-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202002 741104794 /nfs/dbraw/zinc/10/47/94/741104794.db2.gz GDFAAVUNUGKGAU-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107982175 751647872 /nfs/dbraw/zinc/64/78/72/751647872.db2.gz QLVCEDOSSOTHSR-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107982175 751647874 /nfs/dbraw/zinc/64/78/74/751647874.db2.gz QLVCEDOSSOTHSR-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107982175 751647877 /nfs/dbraw/zinc/64/78/77/751647877.db2.gz QLVCEDOSSOTHSR-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107982175 751647880 /nfs/dbraw/zinc/64/78/80/751647880.db2.gz QLVCEDOSSOTHSR-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCF)C1 ZINC001181764780 743333389 /nfs/dbraw/zinc/33/33/89/743333389.db2.gz VUZFCXWXNBLWKI-HLLBOEOZSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCF)C1 ZINC001181764780 743333400 /nfs/dbraw/zinc/33/34/00/743333400.db2.gz VUZFCXWXNBLWKI-HLLBOEOZSA-N 2 1 309.429 1.128 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002804503 743443633 /nfs/dbraw/zinc/44/36/33/743443633.db2.gz CRLQZGYUWGUJOP-RDJZCZTQSA-N 2 1 303.450 1.465 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001184300463 744008744 /nfs/dbraw/zinc/00/87/44/744008744.db2.gz FYAYHRPTBNDJRU-GOSISDBHSA-N 2 1 322.412 1.434 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC#CCOC)[C@@H](C)C1 ZINC001185547435 744252973 /nfs/dbraw/zinc/25/29/73/744252973.db2.gz GRVCHWUVDAZJSB-DLBZAZTESA-N 2 1 323.481 1.052 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992166071 744651739 /nfs/dbraw/zinc/65/17/39/744651739.db2.gz GGERFUSJMWIGEP-QAPCUYQASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992166071 744651743 /nfs/dbraw/zinc/65/17/43/744651743.db2.gz GGERFUSJMWIGEP-QAPCUYQASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992166071 744651744 /nfs/dbraw/zinc/65/17/44/744651744.db2.gz GGERFUSJMWIGEP-QAPCUYQASA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321995 744689833 /nfs/dbraw/zinc/68/98/33/744689833.db2.gz DRQQEBMKQWXKIX-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321995 744689835 /nfs/dbraw/zinc/68/98/35/744689835.db2.gz DRQQEBMKQWXKIX-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321995 744689837 /nfs/dbraw/zinc/68/98/37/744689837.db2.gz DRQQEBMKQWXKIX-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188321995 744689839 /nfs/dbraw/zinc/68/98/39/744689839.db2.gz DRQQEBMKQWXKIX-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818462 744774911 /nfs/dbraw/zinc/77/49/11/744774911.db2.gz GPOLWOBZBIQRSL-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818462 744774914 /nfs/dbraw/zinc/77/49/14/744774914.db2.gz GPOLWOBZBIQRSL-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818462 744774917 /nfs/dbraw/zinc/77/49/17/744774917.db2.gz GPOLWOBZBIQRSL-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC=C)[C@H](C)C1 ZINC001106266662 745495164 /nfs/dbraw/zinc/49/51/64/745495164.db2.gz WHDYSFSMYSSKMY-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC=C)[C@H](C)C1 ZINC001106266662 745495167 /nfs/dbraw/zinc/49/51/67/745495167.db2.gz WHDYSFSMYSSKMY-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191946875 745653525 /nfs/dbraw/zinc/65/35/25/745653525.db2.gz FYWZZMLYUOGSHF-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191946875 745653529 /nfs/dbraw/zinc/65/35/29/745653529.db2.gz FYWZZMLYUOGSHF-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946875 745653532 /nfs/dbraw/zinc/65/35/32/745653532.db2.gz FYWZZMLYUOGSHF-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946875 745653535 /nfs/dbraw/zinc/65/35/35/745653535.db2.gz FYWZZMLYUOGSHF-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571425 745799878 /nfs/dbraw/zinc/79/98/78/745799878.db2.gz ZXDMETHMKSHULO-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197187266 747081298 /nfs/dbraw/zinc/08/12/98/747081298.db2.gz COYNRRUOOGIOOT-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089491181 747088768 /nfs/dbraw/zinc/08/87/68/747088768.db2.gz JSIJPIOAEDGQOK-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089491181 747088777 /nfs/dbraw/zinc/08/87/77/747088777.db2.gz JSIJPIOAEDGQOK-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089491181 747088786 /nfs/dbraw/zinc/08/87/86/747088786.db2.gz JSIJPIOAEDGQOK-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477978 747169384 /nfs/dbraw/zinc/16/93/84/747169384.db2.gz RJCKHCJZXPXBCF-KRWDZBQOSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197477978 747169387 /nfs/dbraw/zinc/16/93/87/747169387.db2.gz RJCKHCJZXPXBCF-KRWDZBQOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485837 747173154 /nfs/dbraw/zinc/17/31/54/747173154.db2.gz YKLBAWWDBNVWLC-KRWDZBQOSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089558239 747216931 /nfs/dbraw/zinc/21/69/31/747216931.db2.gz GCBIJCFFPRLLEE-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089558239 747216935 /nfs/dbraw/zinc/21/69/35/747216935.db2.gz GCBIJCFFPRLLEE-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089558239 747216941 /nfs/dbraw/zinc/21/69/41/747216941.db2.gz GCBIJCFFPRLLEE-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003494794 747250534 /nfs/dbraw/zinc/25/05/34/747250534.db2.gz FOFDITVUNPVNPL-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003494794 747250538 /nfs/dbraw/zinc/25/05/38/747250538.db2.gz FOFDITVUNPVNPL-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197825116 747291101 /nfs/dbraw/zinc/29/11/01/747291101.db2.gz YRXGESGZQXPVJZ-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC)CC1 ZINC001089733840 747709866 /nfs/dbraw/zinc/70/98/66/747709866.db2.gz ATDAEUQBLTXEMJ-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658837 748319203 /nfs/dbraw/zinc/31/92/03/748319203.db2.gz WRGZITYMFKKPMI-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200721205 748328229 /nfs/dbraw/zinc/32/82/29/748328229.db2.gz JCOOEIDKPNMKAS-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831552 748336102 /nfs/dbraw/zinc/33/61/02/748336102.db2.gz QVPFKBHDFSSRKB-BBWFWOEESA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201229657 748437485 /nfs/dbraw/zinc/43/74/85/748437485.db2.gz FNRZRDHGMPACFR-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201405055 748500259 /nfs/dbraw/zinc/50/02/59/748500259.db2.gz ZSPKVJBZFBDWPE-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201404463 748500428 /nfs/dbraw/zinc/50/04/28/748500428.db2.gz VIYNRXRSHIVWBL-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033201332 748910369 /nfs/dbraw/zinc/91/03/69/748910369.db2.gz ANBXBCQMGMOJTP-NVXWUHKLSA-N 2 1 316.449 1.944 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=C)Cl)C(C)(C)C1 ZINC000995925257 749292132 /nfs/dbraw/zinc/29/21/32/749292132.db2.gz RBHXCOZIYNKMKV-GJZGRUSLSA-N 2 1 323.868 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=C)Cl)C(C)(C)C1 ZINC000995925257 749292136 /nfs/dbraw/zinc/29/21/36/749292136.db2.gz RBHXCOZIYNKMKV-GJZGRUSLSA-N 2 1 323.868 1.663 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000876839361 749335723 /nfs/dbraw/zinc/33/57/23/749335723.db2.gz UTCUUERRXJGOGP-KGLIPLIRSA-N 2 1 311.788 1.769 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033468339 749394073 /nfs/dbraw/zinc/39/40/73/749394073.db2.gz XIYRQXFMQQHPKI-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577247 749553820 /nfs/dbraw/zinc/55/38/20/749553820.db2.gz ZJRJKEFVTHIARE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577247 749553821 /nfs/dbraw/zinc/55/38/21/749553821.db2.gz ZJRJKEFVTHIARE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577247 749553822 /nfs/dbraw/zinc/55/38/22/749553822.db2.gz ZJRJKEFVTHIARE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033577247 749553823 /nfs/dbraw/zinc/55/38/23/749553823.db2.gz ZJRJKEFVTHIARE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033577247 749553824 /nfs/dbraw/zinc/55/38/24/749553824.db2.gz ZJRJKEFVTHIARE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033869487 750028231 /nfs/dbraw/zinc/02/82/31/750028231.db2.gz RMFYNGQEJMQLFE-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033869487 750028238 /nfs/dbraw/zinc/02/82/38/750028238.db2.gz RMFYNGQEJMQLFE-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033869487 750028245 /nfs/dbraw/zinc/02/82/45/750028245.db2.gz RMFYNGQEJMQLFE-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033869487 750028252 /nfs/dbraw/zinc/02/82/52/750028252.db2.gz RMFYNGQEJMQLFE-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001034046103 750311830 /nfs/dbraw/zinc/31/18/30/750311830.db2.gz PYKGPPFERLXUEY-QGZVFWFLSA-N 2 1 303.450 1.440 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034534498 750535993 /nfs/dbraw/zinc/53/59/93/750535993.db2.gz LIIULVYHDLQEDT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034534498 750535994 /nfs/dbraw/zinc/53/59/94/750535994.db2.gz LIIULVYHDLQEDT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034534498 750535995 /nfs/dbraw/zinc/53/59/95/750535995.db2.gz LIIULVYHDLQEDT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034534498 750535996 /nfs/dbraw/zinc/53/59/96/750535996.db2.gz LIIULVYHDLQEDT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=C)C)CC1 ZINC001034663896 750635496 /nfs/dbraw/zinc/63/54/96/750635496.db2.gz OFPMCXDSKKBDAM-ULQDDVLXSA-N 2 1 303.450 1.677 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=C)C)CC1 ZINC001034663896 750635498 /nfs/dbraw/zinc/63/54/98/750635498.db2.gz OFPMCXDSKKBDAM-ULQDDVLXSA-N 2 1 303.450 1.677 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212352888 751075441 /nfs/dbraw/zinc/07/54/41/751075441.db2.gz DAAXKPBIPCCPDY-RRFJBIMHSA-N 2 1 315.433 1.058 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc3c[nH+]cn3c1)CC2 ZINC001035204832 751285536 /nfs/dbraw/zinc/28/55/36/751285536.db2.gz DQVVVASHUFICMI-UHFFFAOYSA-N 2 1 322.412 1.896 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035193411 751293673 /nfs/dbraw/zinc/29/36/73/751293673.db2.gz BNIYSTKNRGNEDF-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035226734 751304781 /nfs/dbraw/zinc/30/47/81/751304781.db2.gz LLGOYETUTYIMKH-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035226734 751304788 /nfs/dbraw/zinc/30/47/88/751304788.db2.gz LLGOYETUTYIMKH-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035226734 751304795 /nfs/dbraw/zinc/30/47/95/751304795.db2.gz LLGOYETUTYIMKH-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212412579 752628313 /nfs/dbraw/zinc/62/83/13/752628313.db2.gz WKCUGFPGBOIMOR-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000999208461 752655953 /nfs/dbraw/zinc/65/59/53/752655953.db2.gz KVDLGICFPNPWTG-CJNGLKHVSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999208461 752655959 /nfs/dbraw/zinc/65/59/59/752655959.db2.gz KVDLGICFPNPWTG-CJNGLKHVSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999208461 752655966 /nfs/dbraw/zinc/65/59/66/752655966.db2.gz KVDLGICFPNPWTG-CJNGLKHVSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCF)C2)CC1 ZINC001009629636 753288746 /nfs/dbraw/zinc/28/87/46/753288746.db2.gz UASPEODDAUTQGY-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCC(C)C)CC1 ZINC001000788732 762202364 /nfs/dbraw/zinc/20/23/64/762202364.db2.gz ZAVWWBUCYHJQTP-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001000788732 762202370 /nfs/dbraw/zinc/20/23/70/762202370.db2.gz ZAVWWBUCYHJQTP-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC(C)C)CC1 ZINC001000788732 762202373 /nfs/dbraw/zinc/20/23/73/762202373.db2.gz ZAVWWBUCYHJQTP-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC(C)C)CC1 ZINC001000788732 762202381 /nfs/dbraw/zinc/20/23/81/762202381.db2.gz ZAVWWBUCYHJQTP-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001006071992 753562132 /nfs/dbraw/zinc/56/21/32/753562132.db2.gz HVEHWFXLWWVJQU-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739433 754357918 /nfs/dbraw/zinc/35/79/18/754357918.db2.gz OMZCHURCWWHCQP-HUUCEWRRSA-N 2 1 314.433 1.657 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260724 762466282 /nfs/dbraw/zinc/46/62/82/762466282.db2.gz HZZDIJSXKXJTHI-AEFFLSMTSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081766855 756472703 /nfs/dbraw/zinc/47/27/03/756472703.db2.gz GTDPJPCLJRMNPT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766855 756472705 /nfs/dbraw/zinc/47/27/05/756472705.db2.gz GTDPJPCLJRMNPT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766855 756472708 /nfs/dbraw/zinc/47/27/08/756472708.db2.gz GTDPJPCLJRMNPT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291247 756715772 /nfs/dbraw/zinc/71/57/72/756715772.db2.gz IWLGRPFCUPXNCJ-HZPDHXFCSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082291247 756715774 /nfs/dbraw/zinc/71/57/74/756715774.db2.gz IWLGRPFCUPXNCJ-HZPDHXFCSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791042 757355101 /nfs/dbraw/zinc/35/51/01/757355101.db2.gz RCBQXEJTMBMZGO-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016929222 757483779 /nfs/dbraw/zinc/48/37/79/757483779.db2.gz CHWCAPWOQSRKOY-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC#CC)CC2)CC1 ZINC001052953802 758005326 /nfs/dbraw/zinc/00/53/26/758005326.db2.gz IIQIXHGSKBOTOY-GOSISDBHSA-N 2 1 315.461 1.326 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017557624 758025875 /nfs/dbraw/zinc/02/58/75/758025875.db2.gz UTQXFWPUENSGSI-KSZLIROESA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032700 758168867 /nfs/dbraw/zinc/16/88/67/758168867.db2.gz VPJDQCGHZINJIC-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032700 758168872 /nfs/dbraw/zinc/16/88/72/758168872.db2.gz VPJDQCGHZINJIC-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032700 758168875 /nfs/dbraw/zinc/16/88/75/758168875.db2.gz VPJDQCGHZINJIC-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](C1CC1)[NH+](C)C)CCO2 ZINC001053287380 758342032 /nfs/dbraw/zinc/34/20/32/758342032.db2.gz WDCAMGSLBIVZFK-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018155829 758585466 /nfs/dbraw/zinc/58/54/66/758585466.db2.gz XBBANHOSMJFEKO-HDICACEKSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001018155829 758585470 /nfs/dbraw/zinc/58/54/70/758585470.db2.gz XBBANHOSMJFEKO-HDICACEKSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374940 762652140 /nfs/dbraw/zinc/65/21/40/762652140.db2.gz YSTSSLCLGQRJIG-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374940 762652144 /nfs/dbraw/zinc/65/21/44/762652144.db2.gz YSTSSLCLGQRJIG-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374940 762652147 /nfs/dbraw/zinc/65/21/47/762652147.db2.gz YSTSSLCLGQRJIG-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134412 759208987 /nfs/dbraw/zinc/20/89/87/759208987.db2.gz CERJINIJUGGABJ-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134412 759208992 /nfs/dbraw/zinc/20/89/92/759208992.db2.gz CERJINIJUGGABJ-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134412 759208999 /nfs/dbraw/zinc/20/89/99/759208999.db2.gz CERJINIJUGGABJ-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054144109 759220499 /nfs/dbraw/zinc/22/04/99/759220499.db2.gz QHIINGXWWDQUMW-GOSISDBHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153809 759235791 /nfs/dbraw/zinc/23/57/91/759235791.db2.gz ZZDILIFGUMHPAQ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153809 759235794 /nfs/dbraw/zinc/23/57/94/759235794.db2.gz ZZDILIFGUMHPAQ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153809 759235799 /nfs/dbraw/zinc/23/57/99/759235799.db2.gz ZZDILIFGUMHPAQ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001018986189 759479843 /nfs/dbraw/zinc/47/98/43/759479843.db2.gz UYKIOZHXKBOBHP-ROUUACIJSA-N 2 1 311.429 1.475 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001018986189 759479848 /nfs/dbraw/zinc/47/98/48/759479848.db2.gz UYKIOZHXKBOBHP-ROUUACIJSA-N 2 1 311.429 1.475 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001019386117 759881302 /nfs/dbraw/zinc/88/13/02/759881302.db2.gz CUULUNSLDYSDHX-AWEZNQCLSA-N 2 1 318.421 1.651 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC1 ZINC001085646722 759933400 /nfs/dbraw/zinc/93/34/00/759933400.db2.gz NJQWLCBJQIZRDF-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001085646722 759933404 /nfs/dbraw/zinc/93/34/04/759933404.db2.gz NJQWLCBJQIZRDF-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCC1 ZINC001085646722 759933411 /nfs/dbraw/zinc/93/34/11/759933411.db2.gz NJQWLCBJQIZRDF-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCC1 ZINC001085646722 759933413 /nfs/dbraw/zinc/93/34/13/759933413.db2.gz NJQWLCBJQIZRDF-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085669133 759963466 /nfs/dbraw/zinc/96/34/66/759963466.db2.gz RTOAOUBOTSXLGW-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085669133 759963473 /nfs/dbraw/zinc/96/34/73/759963473.db2.gz RTOAOUBOTSXLGW-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816737 760297614 /nfs/dbraw/zinc/29/76/14/760297614.db2.gz FJNPXFCUFMSNAC-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816737 760297619 /nfs/dbraw/zinc/29/76/19/760297619.db2.gz FJNPXFCUFMSNAC-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=C)C)CC1 ZINC001085986397 760657247 /nfs/dbraw/zinc/65/72/47/760657247.db2.gz CHLZYRDBHPDBME-KRWDZBQOSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001085986850 760657418 /nfs/dbraw/zinc/65/74/18/760657418.db2.gz OFRMKTPZTPIAQJ-WMZOPIPTSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001098399198 760712805 /nfs/dbraw/zinc/71/28/05/760712805.db2.gz CFRBKUXVSITBBT-INIZCTEOSA-N 2 1 311.470 1.044 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001046850600 767983451 /nfs/dbraw/zinc/98/34/51/767983451.db2.gz XNOSFGVDXJSEMD-IOMDMTNGSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001046850600 767983455 /nfs/dbraw/zinc/98/34/55/767983455.db2.gz XNOSFGVDXJSEMD-IOMDMTNGSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214317 761846451 /nfs/dbraw/zinc/84/64/51/761846451.db2.gz OFJALPZKTIMOLL-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214317 761846460 /nfs/dbraw/zinc/84/64/60/761846460.db2.gz OFJALPZKTIMOLL-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214317 761846471 /nfs/dbraw/zinc/84/64/71/761846471.db2.gz OFJALPZKTIMOLL-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040849054 762705254 /nfs/dbraw/zinc/70/52/54/762705254.db2.gz OCESBPSVCJXHKB-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040938408 762737950 /nfs/dbraw/zinc/73/79/50/762737950.db2.gz DUGGPQIBKZTXNF-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115306470 762799779 /nfs/dbraw/zinc/79/97/79/762799779.db2.gz PIBFRPOLGQLTCG-MLHJIOFPSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041368951 762983619 /nfs/dbraw/zinc/98/36/19/762983619.db2.gz SZAGFOQZHJBSEE-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041368951 762983625 /nfs/dbraw/zinc/98/36/25/762983625.db2.gz SZAGFOQZHJBSEE-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041368951 762983631 /nfs/dbraw/zinc/98/36/31/762983631.db2.gz SZAGFOQZHJBSEE-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041368951 762983636 /nfs/dbraw/zinc/98/36/36/762983636.db2.gz SZAGFOQZHJBSEE-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041375148 762987077 /nfs/dbraw/zinc/98/70/77/762987077.db2.gz LLFRJFRLPLTLQU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041375148 762987079 /nfs/dbraw/zinc/98/70/79/762987079.db2.gz LLFRJFRLPLTLQU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041375148 762987080 /nfs/dbraw/zinc/98/70/80/762987080.db2.gz LLFRJFRLPLTLQU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124904 763175594 /nfs/dbraw/zinc/17/55/94/763175594.db2.gz OLGBISDXJVQGLI-XLAORIBOSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124904 763175599 /nfs/dbraw/zinc/17/55/99/763175599.db2.gz OLGBISDXJVQGLI-XLAORIBOSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124904 763175605 /nfs/dbraw/zinc/17/56/05/763175605.db2.gz OLGBISDXJVQGLI-XLAORIBOSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001050172294 763259783 /nfs/dbraw/zinc/25/97/83/763259783.db2.gz JAXNNJQPIMZYOC-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CC)CCC1(F)F ZINC001046946973 768141793 /nfs/dbraw/zinc/14/17/93/768141793.db2.gz AZQSGLAUXASYST-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC)CCC1(F)F ZINC001046946973 768141799 /nfs/dbraw/zinc/14/17/99/768141799.db2.gz AZQSGLAUXASYST-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC)CCC1(F)F ZINC001046946973 768141805 /nfs/dbraw/zinc/14/18/05/768141805.db2.gz AZQSGLAUXASYST-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CC)CCC1(F)F ZINC001046946973 768141810 /nfs/dbraw/zinc/14/18/10/768141810.db2.gz AZQSGLAUXASYST-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042129720 763685257 /nfs/dbraw/zinc/68/52/57/763685257.db2.gz AXHRSOKODJDCFP-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050519121 763696675 /nfs/dbraw/zinc/69/66/75/763696675.db2.gz GSJVVIUGWQUGGG-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256827 763829368 /nfs/dbraw/zinc/82/93/68/763829368.db2.gz ACICKVRTCIWDAL-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050665520 763891488 /nfs/dbraw/zinc/89/14/88/763891488.db2.gz ZMFJBNJBANEMGK-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042312733 763900411 /nfs/dbraw/zinc/90/04/11/763900411.db2.gz GBQDGYRXUXADOP-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314370 763904373 /nfs/dbraw/zinc/90/43/73/763904373.db2.gz OYENTVSSPUGYBJ-HUUCEWRRSA-N 2 1 323.868 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314370 763904381 /nfs/dbraw/zinc/90/43/81/763904381.db2.gz OYENTVSSPUGYBJ-HUUCEWRRSA-N 2 1 323.868 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@H]21 ZINC001042374769 763979192 /nfs/dbraw/zinc/97/91/92/763979192.db2.gz MLWNXHVHUKAQCY-ZIAGYGMSSA-N 2 1 308.813 1.558 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@H]21 ZINC001042374769 763979195 /nfs/dbraw/zinc/97/91/95/763979195.db2.gz MLWNXHVHUKAQCY-ZIAGYGMSSA-N 2 1 308.813 1.558 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131681759 768259415 /nfs/dbraw/zinc/25/94/15/768259415.db2.gz HVEKMVUHCVZYPA-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131682921 768259505 /nfs/dbraw/zinc/25/95/05/768259505.db2.gz UGOOXMHUYDZUBP-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704691 768272327 /nfs/dbraw/zinc/27/23/27/768272327.db2.gz YNVOIYDVAUTHEN-NVXWUHKLSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704691 768272330 /nfs/dbraw/zinc/27/23/30/768272330.db2.gz YNVOIYDVAUTHEN-NVXWUHKLSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704691 768272335 /nfs/dbraw/zinc/27/23/35/768272335.db2.gz YNVOIYDVAUTHEN-NVXWUHKLSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC[NH+](C)C)C[C@H](C)O2 ZINC001131696896 768278934 /nfs/dbraw/zinc/27/89/34/768278934.db2.gz CLAQWNFNDMXPRT-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001052458693 765848480 /nfs/dbraw/zinc/84/84/80/765848480.db2.gz GJXLWOBRIOQJDO-FZZAOWMFSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC001052458693 765848486 /nfs/dbraw/zinc/84/84/86/765848486.db2.gz GJXLWOBRIOQJDO-FZZAOWMFSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC001052458693 765848494 /nfs/dbraw/zinc/84/84/94/765848494.db2.gz GJXLWOBRIOQJDO-FZZAOWMFSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC001052458693 765848499 /nfs/dbraw/zinc/84/84/99/765848499.db2.gz GJXLWOBRIOQJDO-FZZAOWMFSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985355 766762258 /nfs/dbraw/zinc/76/22/58/766762258.db2.gz RYXWGZJXKXUSPL-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985355 766762263 /nfs/dbraw/zinc/76/22/63/766762263.db2.gz RYXWGZJXKXUSPL-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001158029003 767666362 /nfs/dbraw/zinc/66/63/62/767666362.db2.gz AALVVUSHKPLWQL-HZPDHXFCSA-N 2 1 311.445 1.612 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613775 767739831 /nfs/dbraw/zinc/73/98/31/767739831.db2.gz GKNROQGEJCAUQQ-CRAIPNDOSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613775 767739834 /nfs/dbraw/zinc/73/98/34/767739834.db2.gz GKNROQGEJCAUQQ-CRAIPNDOSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638347 768629350 /nfs/dbraw/zinc/62/93/50/768629350.db2.gz NQYQVYXGKIWNRT-IRXDYDNUSA-N 2 1 317.433 1.051 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638347 768629355 /nfs/dbraw/zinc/62/93/55/768629355.db2.gz NQYQVYXGKIWNRT-IRXDYDNUSA-N 2 1 317.433 1.051 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132425892 768840104 /nfs/dbraw/zinc/84/01/04/768840104.db2.gz OLLZNGBWNARRQX-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001071042932 768908544 /nfs/dbraw/zinc/90/85/44/768908544.db2.gz OQCNWAGPELYKSV-ZACQAIPSSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485103 768911129 /nfs/dbraw/zinc/91/11/29/768911129.db2.gz CKOCJVHBBKRUQZ-GDBMZVCRSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485103 768911132 /nfs/dbraw/zinc/91/11/32/768911132.db2.gz CKOCJVHBBKRUQZ-GDBMZVCRSA-N 2 1 320.437 1.363 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132853270 769266449 /nfs/dbraw/zinc/26/64/49/769266449.db2.gz YXMBNGXMXYIYAL-INIZCTEOSA-N 2 1 313.486 1.772 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976729 769378055 /nfs/dbraw/zinc/37/80/55/769378055.db2.gz FSBZZIRKMRNHEZ-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538328 769508039 /nfs/dbraw/zinc/50/80/39/769508039.db2.gz QZJIAHPKANKIKI-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048538328 769508045 /nfs/dbraw/zinc/50/80/45/769508045.db2.gz QZJIAHPKANKIKI-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001048538328 769508053 /nfs/dbraw/zinc/50/80/53/769508053.db2.gz QZJIAHPKANKIKI-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117850 769509693 /nfs/dbraw/zinc/50/96/93/769509693.db2.gz PAYTYQFFRWVEDN-JKSUJKDBSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582714 769557700 /nfs/dbraw/zinc/55/77/00/769557700.db2.gz VKYRAQDHLKILJE-BJWYYQGGSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071739361 769980898 /nfs/dbraw/zinc/98/08/98/769980898.db2.gz RMVWPONCQBBDRB-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049006356 770241568 /nfs/dbraw/zinc/24/15/68/770241568.db2.gz XIYVQWQKEUYSIB-LUKYLMHMSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049006356 770241573 /nfs/dbraw/zinc/24/15/73/770241573.db2.gz XIYVQWQKEUYSIB-LUKYLMHMSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049006356 770241577 /nfs/dbraw/zinc/24/15/77/770241577.db2.gz XIYVQWQKEUYSIB-LUKYLMHMSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480918 770910716 /nfs/dbraw/zinc/91/07/16/770910716.db2.gz GXVWFAAJYVNGNQ-BSDSXHPESA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480918 770910720 /nfs/dbraw/zinc/91/07/20/770910720.db2.gz GXVWFAAJYVNGNQ-BSDSXHPESA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480918 770910724 /nfs/dbraw/zinc/91/07/24/770910724.db2.gz GXVWFAAJYVNGNQ-BSDSXHPESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716857 771110145 /nfs/dbraw/zinc/11/01/45/771110145.db2.gz GYBMMIFRYZDCPP-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716857 771110147 /nfs/dbraw/zinc/11/01/47/771110147.db2.gz GYBMMIFRYZDCPP-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716857 771110148 /nfs/dbraw/zinc/11/01/48/771110148.db2.gz GYBMMIFRYZDCPP-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCOC ZINC001171308917 773161084 /nfs/dbraw/zinc/16/10/84/773161084.db2.gz ZQZKNNKZTLNLKN-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCOC ZINC001171308917 773161087 /nfs/dbraw/zinc/16/10/87/773161087.db2.gz ZQZKNNKZTLNLKN-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611030 773212533 /nfs/dbraw/zinc/21/25/33/773212533.db2.gz LXZUNXOVDJHZOZ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611030 773212541 /nfs/dbraw/zinc/21/25/41/773212541.db2.gz LXZUNXOVDJHZOZ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611030 773212547 /nfs/dbraw/zinc/21/25/47/773212547.db2.gz LXZUNXOVDJHZOZ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)C2)C1 ZINC001148304969 773426890 /nfs/dbraw/zinc/42/68/90/773426890.db2.gz QBVQNNXWOFNFMM-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001148638079 773560705 /nfs/dbraw/zinc/56/07/05/773560705.db2.gz BDYXFYVBFWHPND-UHFFFAOYSA-N 2 1 321.852 1.739 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754691 773630216 /nfs/dbraw/zinc/63/02/16/773630216.db2.gz XUMPVCKKXFIIQB-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754691 773630220 /nfs/dbraw/zinc/63/02/20/773630220.db2.gz XUMPVCKKXFIIQB-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754691 773630224 /nfs/dbraw/zinc/63/02/24/773630224.db2.gz XUMPVCKKXFIIQB-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013192 773921352 /nfs/dbraw/zinc/92/13/52/773921352.db2.gz LMYODGBVNUYTBH-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013192 773921355 /nfs/dbraw/zinc/92/13/55/773921355.db2.gz LMYODGBVNUYTBH-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013192 773921359 /nfs/dbraw/zinc/92/13/59/773921359.db2.gz LMYODGBVNUYTBH-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302056 774051995 /nfs/dbraw/zinc/05/19/95/774051995.db2.gz REZJGOXSMXSXFH-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302056 774052001 /nfs/dbraw/zinc/05/20/01/774052001.db2.gz REZJGOXSMXSXFH-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302056 774052006 /nfs/dbraw/zinc/05/20/06/774052006.db2.gz REZJGOXSMXSXFH-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092672018 774214558 /nfs/dbraw/zinc/21/45/58/774214558.db2.gz UJCKXIRYTGQYLI-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092672018 774214561 /nfs/dbraw/zinc/21/45/61/774214561.db2.gz UJCKXIRYTGQYLI-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092672018 774214564 /nfs/dbraw/zinc/21/45/64/774214564.db2.gz UJCKXIRYTGQYLI-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676555 774215557 /nfs/dbraw/zinc/21/55/57/774215557.db2.gz DVEYTRVSJCMUPZ-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676555 774215563 /nfs/dbraw/zinc/21/55/63/774215563.db2.gz DVEYTRVSJCMUPZ-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001092690873 774233622 /nfs/dbraw/zinc/23/36/22/774233622.db2.gz YLVSGTRITYCHBX-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001092690873 774233627 /nfs/dbraw/zinc/23/36/27/774233627.db2.gz YLVSGTRITYCHBX-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001092690873 774233631 /nfs/dbraw/zinc/23/36/31/774233631.db2.gz YLVSGTRITYCHBX-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001092690873 774233634 /nfs/dbraw/zinc/23/36/34/774233634.db2.gz YLVSGTRITYCHBX-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092757958 774251965 /nfs/dbraw/zinc/25/19/65/774251965.db2.gz MUYXHUDBWMAZPK-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092757958 774251967 /nfs/dbraw/zinc/25/19/67/774251967.db2.gz MUYXHUDBWMAZPK-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092757958 774251970 /nfs/dbraw/zinc/25/19/70/774251970.db2.gz MUYXHUDBWMAZPK-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036735137 774428980 /nfs/dbraw/zinc/42/89/80/774428980.db2.gz FAFZJYACOOPZCV-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036735138 774429112 /nfs/dbraw/zinc/42/91/12/774429112.db2.gz FAFZJYACOOPZCV-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C(C)C)CC1 ZINC001098460408 774587180 /nfs/dbraw/zinc/58/71/80/774587180.db2.gz BNMKRARZBHTBHQ-ZACQAIPSSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106547 774836024 /nfs/dbraw/zinc/83/60/24/774836024.db2.gz IROKXZKMFGUKOH-CVEARBPZSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099240235 774913329 /nfs/dbraw/zinc/91/33/29/774913329.db2.gz PCKJHFAKMFSLGU-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240235 774913332 /nfs/dbraw/zinc/91/33/32/774913332.db2.gz PCKJHFAKMFSLGU-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240235 774913335 /nfs/dbraw/zinc/91/33/35/774913335.db2.gz PCKJHFAKMFSLGU-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036870757 775007957 /nfs/dbraw/zinc/00/79/57/775007957.db2.gz AAWCSSWOMUWCBQ-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529542 775018622 /nfs/dbraw/zinc/01/86/22/775018622.db2.gz RTIYXVJCZGOQHT-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100345884 776030086 /nfs/dbraw/zinc/03/00/86/776030086.db2.gz FHCCVRSJJYMQGD-FHERZECASA-N 2 1 316.449 1.904 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCF)C2)CC1 ZINC001036902759 776077196 /nfs/dbraw/zinc/07/71/96/776077196.db2.gz PMADKSGCVKYHEJ-DLBZAZTESA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903518 776080332 /nfs/dbraw/zinc/08/03/32/776080332.db2.gz BMROVSJYOHPHIR-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC/C=C/CC)C1 ZINC001100415563 776122903 /nfs/dbraw/zinc/12/29/03/776122903.db2.gz XBVKGIFBGZFNBU-DLZGQHTNSA-N 2 1 317.477 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC/C=C/CC)C1 ZINC001100415563 776122907 /nfs/dbraw/zinc/12/29/07/776122907.db2.gz XBVKGIFBGZFNBU-DLZGQHTNSA-N 2 1 317.477 1.925 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758610 776506303 /nfs/dbraw/zinc/50/63/03/776506303.db2.gz GXOLDYVGBISNNN-KLAILNCOSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100872638 776653725 /nfs/dbraw/zinc/65/37/25/776653725.db2.gz CIFSEMTYCUJRKC-FHERZECASA-N 2 1 309.454 1.015 20 30 DDEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001101594505 777286297 /nfs/dbraw/zinc/28/62/97/777286297.db2.gz FJZXZBIIUBCLNR-INIZCTEOSA-N 2 1 319.493 1.816 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265210 777739026 /nfs/dbraw/zinc/73/90/26/777739026.db2.gz XZDIWJFQADHLGR-IRXDYDNUSA-N 2 1 323.481 1.243 20 30 DDEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175731086 777883758 /nfs/dbraw/zinc/88/37/58/777883758.db2.gz RVRJCBHHOYFECT-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370395 778101372 /nfs/dbraw/zinc/10/13/72/778101372.db2.gz ZGPMHAMKHAGJHQ-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370395 778101378 /nfs/dbraw/zinc/10/13/78/778101378.db2.gz ZGPMHAMKHAGJHQ-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102370395 778101382 /nfs/dbraw/zinc/10/13/82/778101382.db2.gz ZGPMHAMKHAGJHQ-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102495760 778171674 /nfs/dbraw/zinc/17/16/74/778171674.db2.gz LVUYSFUIWLVLRY-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495760 778171677 /nfs/dbraw/zinc/17/16/77/778171677.db2.gz LVUYSFUIWLVLRY-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495760 778171680 /nfs/dbraw/zinc/17/16/80/778171680.db2.gz LVUYSFUIWLVLRY-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177088424 778441384 /nfs/dbraw/zinc/44/13/84/778441384.db2.gz LHXITPIEVUHRPP-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177088424 778441387 /nfs/dbraw/zinc/44/13/87/778441387.db2.gz LHXITPIEVUHRPP-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150795112 779010642 /nfs/dbraw/zinc/01/06/42/779010642.db2.gz NQHIVYPUILAUAB-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150795112 779010651 /nfs/dbraw/zinc/01/06/51/779010651.db2.gz NQHIVYPUILAUAB-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150795112 779010658 /nfs/dbraw/zinc/01/06/58/779010658.db2.gz NQHIVYPUILAUAB-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001179725042 779468843 /nfs/dbraw/zinc/46/88/43/779468843.db2.gz GKEKUMWRFHDLFX-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCN1CCC[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001266252120 835989962 /nfs/dbraw/zinc/98/99/62/835989962.db2.gz NGODFUHMYVJKRP-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266453083 836275979 /nfs/dbraw/zinc/27/59/79/836275979.db2.gz XMPBTBDICLCQQS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266453083 836275996 /nfs/dbraw/zinc/27/59/96/836275996.db2.gz XMPBTBDICLCQQS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266453083 836276010 /nfs/dbraw/zinc/27/60/10/836276010.db2.gz XMPBTBDICLCQQS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266453083 836276022 /nfs/dbraw/zinc/27/60/22/836276022.db2.gz XMPBTBDICLCQQS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266548910 836449936 /nfs/dbraw/zinc/44/99/36/836449936.db2.gz JXARULPKZZRANP-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266708829 836703707 /nfs/dbraw/zinc/70/37/07/836703707.db2.gz ZHXZVEUMKRBYBP-OAGGEKHMSA-N 2 1 316.449 1.957 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001271898637 844192396 /nfs/dbraw/zinc/19/23/96/844192396.db2.gz QLGDMMFYYNFMTL-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001271904311 844196820 /nfs/dbraw/zinc/19/68/20/844196820.db2.gz ZVINPSZIMHVXQC-WMLDXEAASA-N 2 1 311.445 1.563 20 30 DDEDMP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266855449 836943452 /nfs/dbraw/zinc/94/34/52/836943452.db2.gz CGCQSQPRVILKAM-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266855449 836943467 /nfs/dbraw/zinc/94/34/67/836943467.db2.gz CGCQSQPRVILKAM-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266888966 836999207 /nfs/dbraw/zinc/99/92/07/836999207.db2.gz ABSLPEZEQMCDPZ-HOTGVXAUSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266888966 836999214 /nfs/dbraw/zinc/99/92/14/836999214.db2.gz ABSLPEZEQMCDPZ-HOTGVXAUSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001266984056 837148971 /nfs/dbraw/zinc/14/89/71/837148971.db2.gz UDPKSUZWCDTKDP-WBVHZDCISA-N 2 1 301.434 1.797 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267963465 839280605 /nfs/dbraw/zinc/28/06/05/839280605.db2.gz OZARUJORWNIONG-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001268027148 839432181 /nfs/dbraw/zinc/43/21/81/839432181.db2.gz ZPOFLAPFIJUADI-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268027148 839432185 /nfs/dbraw/zinc/43/21/85/839432185.db2.gz ZPOFLAPFIJUADI-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268027148 839432190 /nfs/dbraw/zinc/43/21/90/839432190.db2.gz ZPOFLAPFIJUADI-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001268138045 839741528 /nfs/dbraw/zinc/74/15/28/839741528.db2.gz OYQWYPXXQNTRDS-RDJZCZTQSA-N 2 1 316.449 1.822 20 30 DDEDMP COCC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001268158391 839768241 /nfs/dbraw/zinc/76/82/41/839768241.db2.gz DKQVQWBMHGRVIH-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001268575423 840471707 /nfs/dbraw/zinc/47/17/07/840471707.db2.gz PFNZQQOWPXVOAC-RCAFFNEUSA-N 2 1 312.417 1.414 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268630308 840604702 /nfs/dbraw/zinc/60/47/02/840604702.db2.gz IRGOHJJUDMHNCD-SREVYHEPSA-N 2 1 314.433 1.660 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268630308 840604706 /nfs/dbraw/zinc/60/47/06/840604706.db2.gz IRGOHJJUDMHNCD-SREVYHEPSA-N 2 1 314.433 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001268690153 840677989 /nfs/dbraw/zinc/67/79/89/840677989.db2.gz JUYHLLGTZRKMQK-WFASDCNBSA-N 2 1 320.462 1.143 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnc(C)s1 ZINC001268690153 840677996 /nfs/dbraw/zinc/67/79/96/840677996.db2.gz JUYHLLGTZRKMQK-WFASDCNBSA-N 2 1 320.462 1.143 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001269460754 841659962 /nfs/dbraw/zinc/65/99/62/841659962.db2.gz KNJXWLAIHCJIGT-HUUCEWRRSA-N 2 1 302.422 1.262 20 30 DDEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001269545280 841747078 /nfs/dbraw/zinc/74/70/78/841747078.db2.gz KULCEXMGXZKOBN-MRXNPFEDSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001269761345 842017847 /nfs/dbraw/zinc/01/78/47/842017847.db2.gz ZAKMPBQFEAJGOM-ZWKOTPCHSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+]([C@H](C)COC)CC1 ZINC001270358394 842512240 /nfs/dbraw/zinc/51/22/40/842512240.db2.gz HPFPDGRZYFJCLA-MRXNPFEDSA-N 2 1 323.481 1.289 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001326432150 861365963 /nfs/dbraw/zinc/36/59/63/861365963.db2.gz QPTHVIQAIBATLI-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C ZINC001326492690 861405221 /nfs/dbraw/zinc/40/52/21/861405221.db2.gz KEHBWYIXAHNQGI-UHFFFAOYSA-N 2 1 324.428 1.963 20 30 DDEDMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1C ZINC001326492690 861405226 /nfs/dbraw/zinc/40/52/26/861405226.db2.gz KEHBWYIXAHNQGI-UHFFFAOYSA-N 2 1 324.428 1.963 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001326508216 861413324 /nfs/dbraw/zinc/41/33/24/861413324.db2.gz PDQYDFXDVHGPTG-JYJNAYRXSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001326508216 861413336 /nfs/dbraw/zinc/41/33/36/861413336.db2.gz PDQYDFXDVHGPTG-JYJNAYRXSA-N 2 1 309.454 1.158 20 30 DDEDMP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001271748899 843836106 /nfs/dbraw/zinc/83/61/06/843836106.db2.gz BVRLAWLLYRPDTG-ZBFHGGJFSA-N 2 1 302.422 1.432 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001409462857 845135356 /nfs/dbraw/zinc/13/53/56/845135356.db2.gz IMYGHGRMPUQSRY-VXGBXAGGSA-N 2 1 320.275 1.718 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001272392104 846096205 /nfs/dbraw/zinc/09/62/05/846096205.db2.gz FXZNCDZITBZJIO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001272392104 846096210 /nfs/dbraw/zinc/09/62/10/846096210.db2.gz FXZNCDZITBZJIO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001272810586 847473428 /nfs/dbraw/zinc/47/34/28/847473428.db2.gz KUSCRNLUYJUJJC-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888062 847592041 /nfs/dbraw/zinc/59/20/41/847592041.db2.gz NPYXEOJNTOUJDY-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCF)CC1 ZINC001005519664 848083538 /nfs/dbraw/zinc/08/35/38/848083538.db2.gz YFSCNWWTMGNVNJ-INIZCTEOSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCF)CC1 ZINC001005519664 848083544 /nfs/dbraw/zinc/08/35/44/848083544.db2.gz YFSCNWWTMGNVNJ-INIZCTEOSA-N 2 1 309.429 1.366 20 30 DDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364147 848417005 /nfs/dbraw/zinc/41/70/05/848417005.db2.gz RRXTVWBVBMEVPD-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364147 848417012 /nfs/dbraw/zinc/41/70/12/848417012.db2.gz RRXTVWBVBMEVPD-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364147 848417016 /nfs/dbraw/zinc/41/70/16/848417016.db2.gz RRXTVWBVBMEVPD-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364147 848417021 /nfs/dbraw/zinc/41/70/21/848417021.db2.gz RRXTVWBVBMEVPD-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398698 848464062 /nfs/dbraw/zinc/46/40/62/848464062.db2.gz POMVFQMWTLAMCO-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398698 848464070 /nfs/dbraw/zinc/46/40/70/848464070.db2.gz POMVFQMWTLAMCO-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398698 848464079 /nfs/dbraw/zinc/46/40/79/848464079.db2.gz POMVFQMWTLAMCO-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398698 848464084 /nfs/dbraw/zinc/46/40/84/848464084.db2.gz POMVFQMWTLAMCO-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001327129624 861914279 /nfs/dbraw/zinc/91/42/79/861914279.db2.gz IEGGDWSKVXKAEC-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001327129624 861914293 /nfs/dbraw/zinc/91/42/93/861914293.db2.gz IEGGDWSKVXKAEC-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001327129624 861914304 /nfs/dbraw/zinc/91/43/04/861914304.db2.gz IEGGDWSKVXKAEC-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001327129622 861914350 /nfs/dbraw/zinc/91/43/50/861914350.db2.gz IEGGDWSKVXKAEC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001327129622 861914363 /nfs/dbraw/zinc/91/43/63/861914363.db2.gz IEGGDWSKVXKAEC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001327129622 861914376 /nfs/dbraw/zinc/91/43/76/861914376.db2.gz IEGGDWSKVXKAEC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)CCCC[NH+]2CCOCC2)CCC1 ZINC001273173555 848629724 /nfs/dbraw/zinc/62/97/24/848629724.db2.gz UPXOMRCWZCTGFE-UHFFFAOYSA-N 2 1 321.465 1.141 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150035434 862040320 /nfs/dbraw/zinc/04/03/20/862040320.db2.gz HHCLCLCRUWKWJE-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150035434 862040340 /nfs/dbraw/zinc/04/03/40/862040340.db2.gz HHCLCLCRUWKWJE-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001274319026 852154479 /nfs/dbraw/zinc/15/44/79/852154479.db2.gz WQVUFMCKUPNIHW-LLYBFZRZSA-N 2 1 300.406 1.039 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001275120630 852820458 /nfs/dbraw/zinc/82/04/58/852820458.db2.gz GOSBWUUBIZKAEL-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001275120630 852820461 /nfs/dbraw/zinc/82/04/61/852820461.db2.gz GOSBWUUBIZKAEL-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001275120630 852820464 /nfs/dbraw/zinc/82/04/64/852820464.db2.gz GOSBWUUBIZKAEL-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)[C@@H]2C1 ZINC001275588950 853404681 /nfs/dbraw/zinc/40/46/81/853404681.db2.gz JNPRWDDXOXOZCQ-XJKSGUPXSA-N 2 1 304.463 1.687 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCOCC2)CC1 ZINC001275632931 853464489 /nfs/dbraw/zinc/46/44/89/853464489.db2.gz PNUILOTZJQKIET-UHFFFAOYSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072735989 857654404 /nfs/dbraw/zinc/65/44/04/857654404.db2.gz ZPYXPVCMHQDJRV-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4nc(C)[nH]c4C3)C2)C1 ZINC001072872481 857827644 /nfs/dbraw/zinc/82/76/44/857827644.db2.gz ZBVUVLWSBJOWGG-AWEZNQCLSA-N 2 1 314.433 1.543 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)nc4C3)C2)C1 ZINC001072872481 857827660 /nfs/dbraw/zinc/82/76/60/857827660.db2.gz ZBVUVLWSBJOWGG-AWEZNQCLSA-N 2 1 314.433 1.543 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH]c(C)nc4C3)C2)C1 ZINC001072872481 857827666 /nfs/dbraw/zinc/82/76/66/857827666.db2.gz ZBVUVLWSBJOWGG-AWEZNQCLSA-N 2 1 314.433 1.543 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073035719 858028668 /nfs/dbraw/zinc/02/86/68/858028668.db2.gz PKROLEWMVGZJMM-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073035719 858028673 /nfs/dbraw/zinc/02/86/73/858028673.db2.gz PKROLEWMVGZJMM-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001073035719 858028679 /nfs/dbraw/zinc/02/86/79/858028679.db2.gz PKROLEWMVGZJMM-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073462137 858356495 /nfs/dbraw/zinc/35/64/95/858356495.db2.gz MSMHBWZYHUMLIG-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073555255 858435761 /nfs/dbraw/zinc/43/57/61/858435761.db2.gz YXEBMCVXXQKRFH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555255 858435765 /nfs/dbraw/zinc/43/57/65/858435765.db2.gz YXEBMCVXXQKRFH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555255 858435769 /nfs/dbraw/zinc/43/57/69/858435769.db2.gz YXEBMCVXXQKRFH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242599 858723455 /nfs/dbraw/zinc/72/34/55/858723455.db2.gz KUEIQLVCTOKKNL-APUKJBRXSA-N 2 1 317.477 1.901 20 30 DDEDMP C[NH+](C)CCN1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139701425 860457968 /nfs/dbraw/zinc/45/79/68/860457968.db2.gz HQZIYDMLZXTGBL-UHFFFAOYSA-N 2 1 311.433 1.719 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001152451673 863355575 /nfs/dbraw/zinc/35/55/75/863355575.db2.gz CVKIYHCTYHGCPA-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001330171623 864123247 /nfs/dbraw/zinc/12/32/47/864123247.db2.gz WDKDDVBVXNWRMK-SFHVURJKSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001330171623 864123251 /nfs/dbraw/zinc/12/32/51/864123251.db2.gz WDKDDVBVXNWRMK-SFHVURJKSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001330171623 864123256 /nfs/dbraw/zinc/12/32/56/864123256.db2.gz WDKDDVBVXNWRMK-SFHVURJKSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001330466853 864373991 /nfs/dbraw/zinc/37/39/91/864373991.db2.gz KIWMHJIIQSOXCU-YESZJQIVSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001330466853 864374007 /nfs/dbraw/zinc/37/40/07/864374007.db2.gz KIWMHJIIQSOXCU-YESZJQIVSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001330466853 864374022 /nfs/dbraw/zinc/37/40/22/864374022.db2.gz KIWMHJIIQSOXCU-YESZJQIVSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3ccnc3)CCC[C@H]12 ZINC001332111449 865586384 /nfs/dbraw/zinc/58/63/84/865586384.db2.gz NALOBQZADILDAF-XYJFISCASA-N 2 1 314.433 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001160209574 865730051 /nfs/dbraw/zinc/73/00/51/865730051.db2.gz RCGVLMIZPPHXPA-KRWDZBQOSA-N 2 1 317.477 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC2(CCC2)C1 ZINC001160209574 865730054 /nfs/dbraw/zinc/73/00/54/865730054.db2.gz RCGVLMIZPPHXPA-KRWDZBQOSA-N 2 1 317.477 1.760 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160290805 865765237 /nfs/dbraw/zinc/76/52/37/865765237.db2.gz AAXNGXGHYVMFQA-INIZCTEOSA-N 2 1 311.445 1.991 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCCOC)CC1 ZINC001324413986 867268303 /nfs/dbraw/zinc/26/83/03/867268303.db2.gz RBAQAALYQBKIST-QGZVFWFLSA-N 2 1 321.465 1.043 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001162628545 867691340 /nfs/dbraw/zinc/69/13/40/867691340.db2.gz UUAUYJMIOPWXKO-UHFFFAOYSA-N 2 1 311.389 1.359 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325114675 867782512 /nfs/dbraw/zinc/78/25/12/867782512.db2.gz NIDSAYIMFYEHDR-SFHVURJKSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001321875265 867846225 /nfs/dbraw/zinc/84/62/25/867846225.db2.gz FPQPXXPVNPKWIX-ZFWWWQNUSA-N 2 1 320.462 1.143 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cc(C)ns1 ZINC001321875265 867846231 /nfs/dbraw/zinc/84/62/31/867846231.db2.gz FPQPXXPVNPKWIX-ZFWWWQNUSA-N 2 1 320.462 1.143 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001325665574 868231457 /nfs/dbraw/zinc/23/14/57/868231457.db2.gz NCDBBYWXRHKJEI-BRWVUGGUSA-N 2 1 305.466 1.474 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(C)c2)CC1 ZINC001335398890 868271809 /nfs/dbraw/zinc/27/18/09/868271809.db2.gz UKTJAZZMJJTTLC-GOSISDBHSA-N 2 1 316.445 1.812 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001325765803 868336197 /nfs/dbraw/zinc/33/61/97/868336197.db2.gz ARTJSKFOYKRILG-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@H]2C1 ZINC001325765803 868336214 /nfs/dbraw/zinc/33/62/14/868336214.db2.gz ARTJSKFOYKRILG-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165727563 869692248 /nfs/dbraw/zinc/69/22/48/869692248.db2.gz DHMZFZHLPXSJRI-SJORKVTESA-N 2 1 317.477 1.903 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001338417889 869967768 /nfs/dbraw/zinc/96/77/68/869967768.db2.gz IROLJVISERNXQB-MRXNPFEDSA-N 2 1 300.406 1.961 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001338417889 869967775 /nfs/dbraw/zinc/96/77/75/869967775.db2.gz IROLJVISERNXQB-MRXNPFEDSA-N 2 1 300.406 1.961 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317340096 870671467 /nfs/dbraw/zinc/67/14/67/870671467.db2.gz JRKNYTOLLPXRPB-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203903031 870825430 /nfs/dbraw/zinc/82/54/30/870825430.db2.gz IVNVBEKEWGMQRV-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317541700 871031641 /nfs/dbraw/zinc/03/16/41/871031641.db2.gz ZODIFYLYINPKBS-UHFFFAOYSA-N 2 1 305.466 1.714 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001340792461 871353310 /nfs/dbraw/zinc/35/33/10/871353310.db2.gz QPTHYULGVWOBNF-OAHLLOKOSA-N 2 1 319.474 1.860 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001316795394 872060908 /nfs/dbraw/zinc/06/09/08/872060908.db2.gz OOAMFVXDXSBFLA-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001316795394 872060929 /nfs/dbraw/zinc/06/09/29/872060929.db2.gz OOAMFVXDXSBFLA-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH2+][C@@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001318592311 872160166 /nfs/dbraw/zinc/16/01/66/872160166.db2.gz VACKBVWYCMNOBC-HNNXBMFYSA-N 2 1 313.405 1.941 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001206603823 872468487 /nfs/dbraw/zinc/46/84/87/872468487.db2.gz WRUQEWPDSSHNMX-UHFFFAOYSA-N 2 1 323.481 1.503 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001319309285 872557905 /nfs/dbraw/zinc/55/79/05/872557905.db2.gz QCNTWUCGMYSRDW-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001319309285 872557919 /nfs/dbraw/zinc/55/79/19/872557919.db2.gz QCNTWUCGMYSRDW-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001319309285 872557934 /nfs/dbraw/zinc/55/79/34/872557934.db2.gz QCNTWUCGMYSRDW-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC/C=C\CC ZINC001319471495 872650366 /nfs/dbraw/zinc/65/03/66/872650366.db2.gz CWYVRNQEZGHDQZ-IIAQQRLMSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC/C=C\CC ZINC001319471495 872650373 /nfs/dbraw/zinc/65/03/73/872650373.db2.gz CWYVRNQEZGHDQZ-IIAQQRLMSA-N 2 1 305.466 1.877 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955306 872844769 /nfs/dbraw/zinc/84/47/69/872844769.db2.gz QAGJYVGHTXYTLY-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955306 872844778 /nfs/dbraw/zinc/84/47/78/872844778.db2.gz QAGJYVGHTXYTLY-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001206955306 872844785 /nfs/dbraw/zinc/84/47/85/872844785.db2.gz QAGJYVGHTXYTLY-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474440 874172067 /nfs/dbraw/zinc/17/20/67/874172067.db2.gz KWOMIFLNADIPLJ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001276634985 874829004 /nfs/dbraw/zinc/82/90/04/874829004.db2.gz YXDKOYUBGVRFPZ-KRWDZBQOSA-N 2 1 305.466 1.759 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1C#N ZINC001378582460 875169537 /nfs/dbraw/zinc/16/95/37/875169537.db2.gz AENPOKMSEPHISD-WMLDXEAASA-N 2 1 314.433 1.494 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315453 875328513 /nfs/dbraw/zinc/32/85/13/875328513.db2.gz QBUPNZIPEVSNQW-OWCLPIDISA-N 2 1 311.470 1.356 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374897 875780060 /nfs/dbraw/zinc/78/00/60/875780060.db2.gz RYXPCODRXIACQU-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374897 875780068 /nfs/dbraw/zinc/78/00/68/875780068.db2.gz RYXPCODRXIACQU-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001276726498 876769770 /nfs/dbraw/zinc/76/97/70/876769770.db2.gz MDPSGOCVRBVPAK-OSYLJGHBSA-N 2 1 303.450 1.036 20 30 DDEDMP N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218204689 877417844 /nfs/dbraw/zinc/41/78/44/877417844.db2.gz WQQFUALKQWHTRB-YOEHRIQHSA-N 3 1 300.406 1.100 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218813842 877744208 /nfs/dbraw/zinc/74/42/08/877744208.db2.gz GILOFBVLTWHFRE-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804520 878522703 /nfs/dbraw/zinc/52/27/03/878522703.db2.gz YROOFOCANUWXAE-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP O=C(NCCCS)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220588638 879118057 /nfs/dbraw/zinc/11/80/57/879118057.db2.gz WPWXYKQGOHNUAP-HNNXBMFYSA-N 2 1 319.474 1.144 20 30 DDEDMP O=C(NCCCS)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220588638 879118060 /nfs/dbraw/zinc/11/80/60/879118060.db2.gz WPWXYKQGOHNUAP-HNNXBMFYSA-N 2 1 319.474 1.144 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001222612680 880600863 /nfs/dbraw/zinc/60/08/63/880600863.db2.gz ITLGDDKIVJTYRU-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223946606 881158448 /nfs/dbraw/zinc/15/84/48/881158448.db2.gz FXPPPBPTPFPUKW-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001229186756 883864900 /nfs/dbraw/zinc/86/49/00/883864900.db2.gz ZSVKCQZFAQTQFG-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229633464 884086277 /nfs/dbraw/zinc/08/62/77/884086277.db2.gz FINOPHYMZWBXPI-UHFFFAOYSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001229692428 884113184 /nfs/dbraw/zinc/11/31/84/884113184.db2.gz GPDKPHKXPVQIEQ-GVDBMIGSSA-N 2 1 323.481 1.548 20 30 DDEDMP Cn1c[nH+]cc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C#N)n(C)c1 ZINC001277765270 886801000 /nfs/dbraw/zinc/80/10/00/886801000.db2.gz DJAJMUFKGXXETQ-HOTGVXAUSA-N 2 1 310.405 1.483 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277941259 888601730 /nfs/dbraw/zinc/60/17/30/888601730.db2.gz NAHUUBZPAQSDFJ-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP CCCCCCCCS(=O)(=O)NCCC[N@@H+](C)CCC[NH3+] ZINC001238614058 890290592 /nfs/dbraw/zinc/29/05/92/890290592.db2.gz GZKCAGLLWUXRKX-UHFFFAOYSA-N 2 1 321.531 1.937 20 30 DDEDMP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278388908 891921402 /nfs/dbraw/zinc/92/14/02/891921402.db2.gz NZPGZQOUEDGSRF-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278388908 891921413 /nfs/dbraw/zinc/92/14/13/891921413.db2.gz NZPGZQOUEDGSRF-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278388908 891921428 /nfs/dbraw/zinc/92/14/28/891921428.db2.gz NZPGZQOUEDGSRF-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1[NH3+] ZINC001246565339 892699913 /nfs/dbraw/zinc/69/99/13/892699913.db2.gz BZXBJJIJFKUNGO-CXAGYDPISA-N 2 1 312.417 1.442 20 30 DDEDMP C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C[C@H]1[NH3+] ZINC001246565339 892699917 /nfs/dbraw/zinc/69/99/17/892699917.db2.gz BZXBJJIJFKUNGO-CXAGYDPISA-N 2 1 312.417 1.442 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278667651 895175777 /nfs/dbraw/zinc/17/57/77/895175777.db2.gz HKBFOXYEIYJQAT-SFHVURJKSA-N 2 1 317.477 1.856 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001252488424 895208282 /nfs/dbraw/zinc/20/82/82/895208282.db2.gz MNDKEWCQRPVEFZ-INIZCTEOSA-N 2 1 305.422 1.512 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001252604093 895312175 /nfs/dbraw/zinc/31/21/75/895312175.db2.gz MRRDAZFBTSDTKQ-RDJZCZTQSA-N 2 1 324.465 1.663 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001252604093 895312194 /nfs/dbraw/zinc/31/21/94/895312194.db2.gz MRRDAZFBTSDTKQ-RDJZCZTQSA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001253578161 895910315 /nfs/dbraw/zinc/91/03/15/895910315.db2.gz WKZXWNVIXUFKGY-INIZCTEOSA-N 2 1 304.438 1.274 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001278747321 896156216 /nfs/dbraw/zinc/15/62/16/896156216.db2.gz KQJSQZOFKZKSOT-ZDUSSCGKSA-N 2 1 303.397 1.588 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001278800315 896541003 /nfs/dbraw/zinc/54/10/03/896541003.db2.gz MGUMETYLPLFSLH-BQFCYCMXSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278800315 896541018 /nfs/dbraw/zinc/54/10/18/896541018.db2.gz MGUMETYLPLFSLH-BQFCYCMXSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278800315 896541033 /nfs/dbraw/zinc/54/10/33/896541033.db2.gz MGUMETYLPLFSLH-BQFCYCMXSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001278865129 896895190 /nfs/dbraw/zinc/89/51/90/896895190.db2.gz QVKUEJKBRUWWLG-INIZCTEOSA-N 2 1 323.481 1.024 20 30 DDEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001278865129 896895196 /nfs/dbraw/zinc/89/51/96/896895196.db2.gz QVKUEJKBRUWWLG-INIZCTEOSA-N 2 1 323.481 1.024 20 30 DDEDMP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001278865129 896895207 /nfs/dbraw/zinc/89/52/07/896895207.db2.gz QVKUEJKBRUWWLG-INIZCTEOSA-N 2 1 323.481 1.024 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001367690508 897474972 /nfs/dbraw/zinc/47/49/72/897474972.db2.gz GXIJXTGCXSHCKI-YPMHNXCESA-N 2 1 310.829 1.601 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001374929088 914371514 /nfs/dbraw/zinc/37/15/14/914371514.db2.gz QMQLEDFZQVZKOC-KBPBESRZSA-N 2 1 301.862 1.955 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001264424847 901113249 /nfs/dbraw/zinc/11/32/49/901113249.db2.gz WRDOMCQOLFHPET-LUKYLMHMSA-N 2 1 303.450 1.511 20 30 DDEDMP C=C(C)C[NH+]1CCN(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001265263817 901785991 /nfs/dbraw/zinc/78/59/91/901785991.db2.gz ANQLQNUFDSKROH-UHFFFAOYSA-N 2 1 324.513 1.274 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001265947446 902643950 /nfs/dbraw/zinc/64/39/50/902643950.db2.gz LSWNXVHRGHPSCS-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001265947446 902643958 /nfs/dbraw/zinc/64/39/58/902643958.db2.gz LSWNXVHRGHPSCS-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001281193340 904548058 /nfs/dbraw/zinc/54/80/58/904548058.db2.gz RNXAOJOJHTVYEB-SJLPKXTDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCOCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001282977980 906385169 /nfs/dbraw/zinc/38/51/69/906385169.db2.gz SBNBCBZQFPFXIQ-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001282977980 906385184 /nfs/dbraw/zinc/38/51/84/906385184.db2.gz SBNBCBZQFPFXIQ-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001282977980 906385200 /nfs/dbraw/zinc/38/52/00/906385200.db2.gz SBNBCBZQFPFXIQ-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001393633674 907565226 /nfs/dbraw/zinc/56/52/26/907565226.db2.gz JZOOHYNKFUQEPG-CYBMUJFWSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001393633674 907565200 /nfs/dbraw/zinc/56/52/00/907565200.db2.gz JZOOHYNKFUQEPG-CYBMUJFWSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001393633674 907565208 /nfs/dbraw/zinc/56/52/08/907565208.db2.gz JZOOHYNKFUQEPG-CYBMUJFWSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001393633674 907565219 /nfs/dbraw/zinc/56/52/19/907565219.db2.gz JZOOHYNKFUQEPG-CYBMUJFWSA-N 2 1 301.862 1.861 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001284920676 909734776 /nfs/dbraw/zinc/73/47/76/909734776.db2.gz JNPYHJPGNOEBSQ-MRXNPFEDSA-N 2 1 309.429 1.438 20 30 DDEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c(F)c1 ZINC001285004648 909926398 /nfs/dbraw/zinc/92/63/98/909926398.db2.gz MKJWSJBLXCDKFU-KRWDZBQOSA-N 2 1 317.408 1.649 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000173195611 198194836 /nfs/dbraw/zinc/19/48/36/198194836.db2.gz AEMQXKNNTQVJFM-UHFFFAOYSA-N 2 1 319.453 1.921 20 30 DDEDMP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080959200 353639135 /nfs/dbraw/zinc/63/91/35/353639135.db2.gz RWRIGRXFEVNKIN-CQSZACIVSA-N 2 1 314.393 1.245 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000594437642 356213358 /nfs/dbraw/zinc/21/33/58/356213358.db2.gz KGYLDJYBLDPQIA-XHSDSOJGSA-N 2 1 322.453 1.157 20 30 DDEDMP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1CCOC ZINC000594453222 356223657 /nfs/dbraw/zinc/22/36/57/356223657.db2.gz NMAANUMRUBCTOC-CVEARBPZSA-N 2 1 324.469 1.357 20 30 DDEDMP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1CCOC ZINC000594453222 356223660 /nfs/dbraw/zinc/22/36/60/356223660.db2.gz NMAANUMRUBCTOC-CVEARBPZSA-N 2 1 324.469 1.357 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595944651 356716300 /nfs/dbraw/zinc/71/63/00/356716300.db2.gz IDBRSRIYFCBTHU-GOEBONIOSA-N 2 1 306.454 1.921 20 30 DDEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598588874 357641746 /nfs/dbraw/zinc/64/17/46/357641746.db2.gz PEMPSJSQVQDASC-DLBZAZTESA-N 2 1 322.497 1.389 20 30 DDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598588874 357641749 /nfs/dbraw/zinc/64/17/49/357641749.db2.gz PEMPSJSQVQDASC-DLBZAZTESA-N 2 1 322.497 1.389 20 30 DDEDMP CC(C)(C#N)C[C@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000598721073 357703277 /nfs/dbraw/zinc/70/32/77/357703277.db2.gz RMVIBPTZEHSIHS-HNNXBMFYSA-N 2 1 309.454 1.522 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C#N ZINC000276662524 213030287 /nfs/dbraw/zinc/03/02/87/213030287.db2.gz WJTTZUWMPOIYNC-IAGOWNOFSA-N 2 1 302.422 1.364 20 30 DDEDMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C#N ZINC000600710798 358290335 /nfs/dbraw/zinc/29/03/35/358290335.db2.gz PGUKYPFBBFNWGL-QGZVFWFLSA-N 2 1 314.433 1.686 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)cc1OC ZINC000268100291 407890158 /nfs/dbraw/zinc/89/01/58/407890158.db2.gz BOVBCGWATVYFBF-OAHLLOKOSA-N 2 1 304.438 1.892 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ncc(C)s1 ZINC000273461883 408211458 /nfs/dbraw/zinc/21/14/58/408211458.db2.gz HSRQDMQLNXIHFZ-DGCLKSJQSA-N 2 1 309.483 1.944 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183139518 408337117 /nfs/dbraw/zinc/33/71/17/408337117.db2.gz DMMJXWXSUITOEH-KBPBESRZSA-N 2 1 310.401 1.969 20 30 DDEDMP CN(CC[N@@H+](C)Cc1cc(C#N)n(C)c1)C1CC[NH+](C)CC1 ZINC000289388444 409260035 /nfs/dbraw/zinc/26/00/35/409260035.db2.gz DOPNJAKDUHVVRA-UHFFFAOYSA-N 2 1 303.454 1.355 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000342179930 409566112 /nfs/dbraw/zinc/56/61/12/409566112.db2.gz YIYHVWMQXQLNFK-FZDBZEDMSA-N 2 1 308.466 1.988 20 30 DDEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000342179930 409566119 /nfs/dbraw/zinc/56/61/19/409566119.db2.gz YIYHVWMQXQLNFK-FZDBZEDMSA-N 2 1 308.466 1.988 20 30 DDEDMP CO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000342179930 409566126 /nfs/dbraw/zinc/56/61/26/409566126.db2.gz YIYHVWMQXQLNFK-FZDBZEDMSA-N 2 1 308.466 1.988 20 30 DDEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353429565 410981217 /nfs/dbraw/zinc/98/12/17/410981217.db2.gz UHKSZIGZGTWKBX-QGZVFWFLSA-N 2 1 312.417 1.299 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc2O1 ZINC000262002060 222269979 /nfs/dbraw/zinc/26/99/79/222269979.db2.gz QAFPQQJJDJKCLK-CABCVRRESA-N 2 1 302.422 1.379 20 30 DDEDMP COc1ccccc1[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCC1 ZINC000262683721 222289676 /nfs/dbraw/zinc/28/96/76/222289676.db2.gz XMWMEJQWBZQUEG-ZFWWWQNUSA-N 2 1 302.422 1.769 20 30 DDEDMP C=C(Br)CNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000262758281 222292526 /nfs/dbraw/zinc/29/25/26/222292526.db2.gz HXMSYILEVDUTET-JTQLQIEISA-N 2 1 301.232 1.297 20 30 DDEDMP C=C(Br)CNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000262758281 222292527 /nfs/dbraw/zinc/29/25/27/222292527.db2.gz HXMSYILEVDUTET-JTQLQIEISA-N 2 1 301.232 1.297 20 30 DDEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262809893 222295308 /nfs/dbraw/zinc/29/53/08/222295308.db2.gz TZPIYQZJPZSBRQ-IGCXYCKISA-N 2 1 320.437 1.277 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCSc1ccccc1 ZINC000264100172 222318706 /nfs/dbraw/zinc/31/87/06/222318706.db2.gz MOACBOHBSNUOPC-UHFFFAOYSA-N 2 1 322.478 1.405 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000264122839 222321497 /nfs/dbraw/zinc/32/14/97/222321497.db2.gz VHQZZFSKKJJNEG-LLVKDONJSA-N 2 1 302.382 1.015 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375472290 418644374 /nfs/dbraw/zinc/64/43/74/418644374.db2.gz SOTPUAKCANPPCP-CGTJXYLNSA-N 2 1 313.445 1.797 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375472290 418644376 /nfs/dbraw/zinc/64/43/76/418644376.db2.gz SOTPUAKCANPPCP-CGTJXYLNSA-N 2 1 313.445 1.797 20 30 DDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000368050161 418679592 /nfs/dbraw/zinc/67/95/92/418679592.db2.gz CZVQZPGMGUCKPF-HNNXBMFYSA-N 2 1 302.422 1.611 20 30 DDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000368050161 418679595 /nfs/dbraw/zinc/67/95/95/418679595.db2.gz CZVQZPGMGUCKPF-HNNXBMFYSA-N 2 1 302.422 1.611 20 30 DDEDMP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](C#N)CCC#N)CC2)CC1 ZINC000368833952 418725634 /nfs/dbraw/zinc/72/56/34/418725634.db2.gz LUDLDGOEHREDEH-KRWDZBQOSA-N 2 1 317.481 1.779 20 30 DDEDMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000429686522 420038829 /nfs/dbraw/zinc/03/88/29/420038829.db2.gz NXGOCQLARPOHBF-MHORFTMASA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@@H](O)C[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000429686522 420038832 /nfs/dbraw/zinc/03/88/32/420038832.db2.gz NXGOCQLARPOHBF-MHORFTMASA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@@H](O)C[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000429686522 420038835 /nfs/dbraw/zinc/03/88/35/420038835.db2.gz NXGOCQLARPOHBF-MHORFTMASA-N 2 1 308.466 1.460 20 30 DDEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000573437824 421964054 /nfs/dbraw/zinc/96/40/54/421964054.db2.gz MVQKESUGAPNMGG-DLBZAZTESA-N 2 1 310.486 1.150 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103787 423337029 /nfs/dbraw/zinc/33/70/29/423337029.db2.gz ONGNTRUFNSLRNX-MRXNPFEDSA-N 2 1 321.465 1.372 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103787 423337031 /nfs/dbraw/zinc/33/70/31/423337031.db2.gz ONGNTRUFNSLRNX-MRXNPFEDSA-N 2 1 321.465 1.372 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000661653385 424044158 /nfs/dbraw/zinc/04/41/58/424044158.db2.gz HYNOHOQOSCDVPC-UHFFFAOYSA-N 2 1 304.434 1.547 20 30 DDEDMP C=CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCC[NH2+]1 ZINC000662668706 424729272 /nfs/dbraw/zinc/72/92/72/424729272.db2.gz PUEXHTOEHOOAOM-WBVHZDCISA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[C@]1(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662689322 424735574 /nfs/dbraw/zinc/73/55/74/424735574.db2.gz UISZZCNWYQXFPU-SOLBZPMBSA-N 2 1 323.481 1.690 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528474175 267287087 /nfs/dbraw/zinc/28/70/87/267287087.db2.gz HVWKMUWHUHTPJO-SJORKVTESA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528474175 267287090 /nfs/dbraw/zinc/28/70/90/267287090.db2.gz HVWKMUWHUHTPJO-SJORKVTESA-N 2 1 317.433 1.714 20 30 DDEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424144386 534436211 /nfs/dbraw/zinc/43/62/11/534436211.db2.gz XKIFCONSNDUZJV-HZSPNIEDSA-N 2 1 310.442 1.012 20 30 DDEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424144386 534436215 /nfs/dbraw/zinc/43/62/15/534436215.db2.gz XKIFCONSNDUZJV-HZSPNIEDSA-N 2 1 310.442 1.012 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339110 695220769 /nfs/dbraw/zinc/22/07/69/695220769.db2.gz LDBIUQOZSIYQHD-WMLDXEAASA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972339110 695220770 /nfs/dbraw/zinc/22/07/70/695220770.db2.gz LDBIUQOZSIYQHD-WMLDXEAASA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972339110 695220773 /nfs/dbraw/zinc/22/07/73/695220773.db2.gz LDBIUQOZSIYQHD-WMLDXEAASA-N 2 1 311.445 1.918 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535754 695275470 /nfs/dbraw/zinc/27/54/70/695275470.db2.gz ZBHQYEDESVDHDM-SFHVURJKSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)(C)C1 ZINC000974695090 695713114 /nfs/dbraw/zinc/71/31/14/695713114.db2.gz VLPGIWQZJFETAF-NFAWXSAZSA-N 2 1 302.422 1.916 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138701 696690170 /nfs/dbraw/zinc/69/01/70/696690170.db2.gz DNWFYHCJAFDGOP-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138701 696690172 /nfs/dbraw/zinc/69/01/72/696690172.db2.gz DNWFYHCJAFDGOP-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772649 696910401 /nfs/dbraw/zinc/91/04/01/696910401.db2.gz YRAFUEPUWWEVQF-MRXNPFEDSA-N 2 1 303.450 1.439 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178023 700126822 /nfs/dbraw/zinc/12/68/22/700126822.db2.gz DTLPVYSCRIRAAJ-HNNXBMFYSA-N 2 1 318.465 1.745 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296079 697086510 /nfs/dbraw/zinc/08/65/10/697086510.db2.gz JJDGVKXTRDPGSG-YTQUADARSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC000981483063 697107797 /nfs/dbraw/zinc/10/77/97/697107797.db2.gz DMAUTOJBMCNCKQ-OAHLLOKOSA-N 2 1 300.406 1.003 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554066 697149277 /nfs/dbraw/zinc/14/92/77/697149277.db2.gz UCCIFPDSRMDHDI-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554066 697149279 /nfs/dbraw/zinc/14/92/79/697149279.db2.gz UCCIFPDSRMDHDI-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554066 697149280 /nfs/dbraw/zinc/14/92/80/697149280.db2.gz UCCIFPDSRMDHDI-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000985430086 697509611 /nfs/dbraw/zinc/50/96/11/697509611.db2.gz VODOTGHCQUMLRW-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000985430086 697509614 /nfs/dbraw/zinc/50/96/14/697509614.db2.gz VODOTGHCQUMLRW-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000985430086 697509616 /nfs/dbraw/zinc/50/96/16/697509616.db2.gz VODOTGHCQUMLRW-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000985681778 697555168 /nfs/dbraw/zinc/55/51/68/697555168.db2.gz CPLNZIMJJMGGJL-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000989074575 698530719 /nfs/dbraw/zinc/53/07/19/698530719.db2.gz JXIPNJZNILAUON-QWHCGFSZSA-N 2 1 306.410 1.505 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303773886 698606283 /nfs/dbraw/zinc/60/62/83/698606283.db2.gz FOJPZKLFDAFKOQ-UHFFFAOYSA-N 2 1 304.438 1.579 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303890831 698609808 /nfs/dbraw/zinc/60/98/08/698609808.db2.gz QFCFHXRLLRZXPI-CVEARBPZSA-N 3 1 309.502 1.495 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000304071959 698614869 /nfs/dbraw/zinc/61/48/69/698614869.db2.gz VSJXJECXSGQWLL-GOEBONIOSA-N 2 1 304.438 1.590 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000304071959 698614873 /nfs/dbraw/zinc/61/48/73/698614873.db2.gz VSJXJECXSGQWLL-GOEBONIOSA-N 2 1 304.438 1.590 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000304467697 698621318 /nfs/dbraw/zinc/62/13/18/698621318.db2.gz DTDJLLLDCUCGNW-IAGOWNOFSA-N 2 1 316.449 1.417 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccc(F)cc1 ZINC000305632977 698646895 /nfs/dbraw/zinc/64/68/95/698646895.db2.gz ABUHYXAEFQPNMM-WBVHZDCISA-N 2 1 322.428 1.422 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990788103 699159830 /nfs/dbraw/zinc/15/98/30/699159830.db2.gz GRCVITTULBNCQQ-ZMMAXQRCSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990788103 699159832 /nfs/dbraw/zinc/15/98/32/699159832.db2.gz GRCVITTULBNCQQ-ZMMAXQRCSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990788103 699159834 /nfs/dbraw/zinc/15/98/34/699159834.db2.gz GRCVITTULBNCQQ-ZMMAXQRCSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000730105356 699501529 /nfs/dbraw/zinc/50/15/29/699501529.db2.gz GBFYLFTZRYBICH-IRXDYDNUSA-N 2 1 317.408 1.642 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000730105356 699501530 /nfs/dbraw/zinc/50/15/30/699501530.db2.gz GBFYLFTZRYBICH-IRXDYDNUSA-N 2 1 317.408 1.642 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000730275769 699505616 /nfs/dbraw/zinc/50/56/16/699505616.db2.gz XQHNMJCZTXLPCF-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000730275769 699505617 /nfs/dbraw/zinc/50/56/17/699505617.db2.gz XQHNMJCZTXLPCF-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000730275769 699505618 /nfs/dbraw/zinc/50/56/18/699505618.db2.gz XQHNMJCZTXLPCF-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000730275769 699505619 /nfs/dbraw/zinc/50/56/19/699505619.db2.gz XQHNMJCZTXLPCF-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C ZINC000732306186 699554863 /nfs/dbraw/zinc/55/48/63/699554863.db2.gz KNPPNDFYPBGMTF-ZWKOTPCHSA-N 2 1 317.477 1.899 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+](CC=C)CC=C ZINC000732306186 699554864 /nfs/dbraw/zinc/55/48/64/699554864.db2.gz KNPPNDFYPBGMTF-ZWKOTPCHSA-N 2 1 317.477 1.899 20 30 DDEDMP C#CCCCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000758894426 700727819 /nfs/dbraw/zinc/72/78/19/700727819.db2.gz LDZHJPXBQXFPFS-KRWDZBQOSA-N 2 1 322.497 1.847 20 30 DDEDMP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000843106223 702819902 /nfs/dbraw/zinc/81/99/02/702819902.db2.gz YUMOXQYRTGECPH-IAGOWNOFSA-N 2 1 305.422 1.274 20 30 DDEDMP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000853115110 704199908 /nfs/dbraw/zinc/19/99/08/704199908.db2.gz DUUAPEOQJBYOQC-ZWKOTPCHSA-N 2 1 315.417 1.435 20 30 DDEDMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1)C(C)C ZINC000834495325 707070695 /nfs/dbraw/zinc/07/06/95/707070695.db2.gz UCZSZNRDIZOIOF-IAGOWNOFSA-N 2 1 314.433 1.758 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000883131103 707935628 /nfs/dbraw/zinc/93/56/28/707935628.db2.gz GMHHECLJNZWQNC-UHFFFAOYSA-N 2 1 317.824 1.965 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000883131103 707935630 /nfs/dbraw/zinc/93/56/30/707935630.db2.gz GMHHECLJNZWQNC-UHFFFAOYSA-N 2 1 317.824 1.965 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000883131321 707935694 /nfs/dbraw/zinc/93/56/94/707935694.db2.gz VXSCDJKPTJBTGU-SFHVURJKSA-N 2 1 302.418 1.899 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000883131321 707935697 /nfs/dbraw/zinc/93/56/97/707935697.db2.gz VXSCDJKPTJBTGU-SFHVURJKSA-N 2 1 302.418 1.899 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000884140576 708157180 /nfs/dbraw/zinc/15/71/80/708157180.db2.gz XVEOSBFWOYPOJH-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000884140576 708157182 /nfs/dbraw/zinc/15/71/82/708157182.db2.gz XVEOSBFWOYPOJH-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000884140576 708157185 /nfs/dbraw/zinc/15/71/85/708157185.db2.gz XVEOSBFWOYPOJH-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000884140576 708157186 /nfs/dbraw/zinc/15/71/86/708157186.db2.gz XVEOSBFWOYPOJH-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1CCCC[C@H]1C ZINC000884188617 708179211 /nfs/dbraw/zinc/17/92/11/708179211.db2.gz MBCMUABNAFHOBF-MYCCOQIQSA-N 2 1 318.465 1.505 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000884201806 708186386 /nfs/dbraw/zinc/18/63/86/708186386.db2.gz HPZJYYNXQSJHKH-IKGGRYGDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000884201806 708186388 /nfs/dbraw/zinc/18/63/88/708186388.db2.gz HPZJYYNXQSJHKH-IKGGRYGDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000884201806 708186390 /nfs/dbraw/zinc/18/63/90/708186390.db2.gz HPZJYYNXQSJHKH-IKGGRYGDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000884201806 708186392 /nfs/dbraw/zinc/18/63/92/708186392.db2.gz HPZJYYNXQSJHKH-IKGGRYGDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000884204622 708188696 /nfs/dbraw/zinc/18/86/96/708188696.db2.gz ZXMVMHVLWRQMDU-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000884204622 708188698 /nfs/dbraw/zinc/18/86/98/708188698.db2.gz ZXMVMHVLWRQMDU-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000884215808 708194364 /nfs/dbraw/zinc/19/43/64/708194364.db2.gz BGWPEUDQJGLMOV-IAGOWNOFSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000884215808 708194367 /nfs/dbraw/zinc/19/43/67/708194367.db2.gz BGWPEUDQJGLMOV-IAGOWNOFSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000884215808 708194369 /nfs/dbraw/zinc/19/43/69/708194369.db2.gz BGWPEUDQJGLMOV-IAGOWNOFSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000884215808 708194371 /nfs/dbraw/zinc/19/43/71/708194371.db2.gz BGWPEUDQJGLMOV-IAGOWNOFSA-N 2 1 320.481 1.361 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)cn1 ZINC000889241054 709466503 /nfs/dbraw/zinc/46/65/03/709466503.db2.gz XUOLRVRFZSOLJW-ZDUSSCGKSA-N 2 1 318.425 1.347 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)cn1 ZINC000889241054 709466505 /nfs/dbraw/zinc/46/65/05/709466505.db2.gz XUOLRVRFZSOLJW-ZDUSSCGKSA-N 2 1 318.425 1.347 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000890372878 709844190 /nfs/dbraw/zinc/84/41/90/709844190.db2.gz NGXIYYALAYNEDA-HZPDHXFCSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000890372878 709844193 /nfs/dbraw/zinc/84/41/93/709844193.db2.gz NGXIYYALAYNEDA-HZPDHXFCSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000890373479 709844980 /nfs/dbraw/zinc/84/49/80/709844980.db2.gz VATRJPOKQHVQJZ-IRXDYDNUSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000890373479 709844986 /nfs/dbraw/zinc/84/49/86/709844986.db2.gz VATRJPOKQHVQJZ-IRXDYDNUSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000895056341 711390442 /nfs/dbraw/zinc/39/04/42/711390442.db2.gz HMRMWUPHCUBQGT-INIZCTEOSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000914219756 713361357 /nfs/dbraw/zinc/36/13/57/713361357.db2.gz BEBROTKBBDIXMB-SJORKVTESA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000922256716 714004130 /nfs/dbraw/zinc/00/41/30/714004130.db2.gz OFGQKVAUTUMQSK-MRXNPFEDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000963926459 717948034 /nfs/dbraw/zinc/94/80/34/717948034.db2.gz AOOTWDHOCPXZRR-HVEGKCCWSA-N 2 1 303.450 1.511 20 30 DDEDMP C[C@@H](C(=O)Nc1ccccc1C#N)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432598 714095696 /nfs/dbraw/zinc/09/56/96/714095696.db2.gz WSNCBYFXDKIZBL-CWRNSKLLSA-N 2 1 312.417 1.769 20 30 DDEDMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000923414201 714348140 /nfs/dbraw/zinc/34/81/40/714348140.db2.gz KTVXGYDPGCZLNX-HNNXBMFYSA-N 2 1 303.406 1.372 20 30 DDEDMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000923414201 714348142 /nfs/dbraw/zinc/34/81/42/714348142.db2.gz KTVXGYDPGCZLNX-HNNXBMFYSA-N 2 1 303.406 1.372 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413855 714348209 /nfs/dbraw/zinc/34/82/09/714348209.db2.gz IHVBTCIYKGSCFQ-GVDBMIGSSA-N 2 1 315.417 1.372 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000923413855 714348211 /nfs/dbraw/zinc/34/82/11/714348211.db2.gz IHVBTCIYKGSCFQ-GVDBMIGSSA-N 2 1 315.417 1.372 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957642266 715981318 /nfs/dbraw/zinc/98/13/18/715981318.db2.gz FYTWPBKKPKTVRL-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000939413009 716239743 /nfs/dbraw/zinc/23/97/43/716239743.db2.gz IYNJEVLLPYXTKE-CZUORRHYSA-N 2 1 311.389 1.503 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000960329693 716492870 /nfs/dbraw/zinc/49/28/70/716492870.db2.gz NDRFIEJFPMKCJG-KBAYOESNSA-N 2 1 313.445 1.886 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857669 716996819 /nfs/dbraw/zinc/99/68/19/716996819.db2.gz ASKHUYIRRLXYPD-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857669 716996822 /nfs/dbraw/zinc/99/68/22/716996822.db2.gz ASKHUYIRRLXYPD-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857669 716996824 /nfs/dbraw/zinc/99/68/24/716996824.db2.gz ASKHUYIRRLXYPD-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166050 717119865 /nfs/dbraw/zinc/11/98/65/717119865.db2.gz DTHHTLDAATZKLR-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582067 717762666 /nfs/dbraw/zinc/76/26/66/717762666.db2.gz RORAOFZBHHCQFU-DZGCQCFKSA-N 2 1 303.406 1.415 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419994 717783207 /nfs/dbraw/zinc/78/32/07/717783207.db2.gz WZECNIYOVGMTEF-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419994 717783211 /nfs/dbraw/zinc/78/32/11/717783211.db2.gz WZECNIYOVGMTEF-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942822689 717879169 /nfs/dbraw/zinc/87/91/69/717879169.db2.gz NGXFMXIFDQWOEP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942822689 717879171 /nfs/dbraw/zinc/87/91/71/717879171.db2.gz NGXFMXIFDQWOEP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942822689 717879177 /nfs/dbraw/zinc/87/91/77/717879177.db2.gz NGXFMXIFDQWOEP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892892 718937677 /nfs/dbraw/zinc/93/76/77/718937677.db2.gz QSEUCQGFGLSTAI-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892892 718937680 /nfs/dbraw/zinc/93/76/80/718937680.db2.gz QSEUCQGFGLSTAI-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892892 718937687 /nfs/dbraw/zinc/93/76/87/718937687.db2.gz QSEUCQGFGLSTAI-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310243 719113315 /nfs/dbraw/zinc/11/33/15/719113315.db2.gz OADPCRNOPCYPRL-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726082 719672596 /nfs/dbraw/zinc/67/25/96/719672596.db2.gz MXNWODMPUVHPFD-INIZCTEOSA-N 2 1 317.433 1.901 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC000969135902 719972670 /nfs/dbraw/zinc/97/26/70/719972670.db2.gz PQELMFWIPNXKEK-ZIAGYGMSSA-N 2 1 302.422 1.590 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000970712993 720904084 /nfs/dbraw/zinc/90/40/84/720904084.db2.gz USHGRVNWAOUFBB-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C=CCN1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689798 735475916 /nfs/dbraw/zinc/47/59/16/735475916.db2.gz ZWXFXSHTWRXAER-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCN1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689800 735476017 /nfs/dbraw/zinc/47/60/17/735476017.db2.gz ZWXFXSHTWRXAER-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027652359 738514373 /nfs/dbraw/zinc/51/43/73/738514373.db2.gz RCNSGXOCUMZOEO-AWEZNQCLSA-N 2 1 300.406 1.317 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236254 732852098 /nfs/dbraw/zinc/85/20/98/732852098.db2.gz ISVCSCZRVHJVQK-GXTWGEPZSA-N 2 1 313.873 1.813 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001112529947 738670354 /nfs/dbraw/zinc/67/03/54/738670354.db2.gz WWSUTQWNFGKHPA-LNLFQRSKSA-N 2 1 317.477 1.570 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023371758 735203738 /nfs/dbraw/zinc/20/37/38/735203738.db2.gz DXKLLXWOXHDYPS-RDJZCZTQSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410046 735215007 /nfs/dbraw/zinc/21/50/07/735215007.db2.gz MOSQMWRSDLUATF-MSOLQXFVSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410046 735215010 /nfs/dbraw/zinc/21/50/10/735215010.db2.gz MOSQMWRSDLUATF-MSOLQXFVSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410046 735215014 /nfs/dbraw/zinc/21/50/14/735215014.db2.gz MOSQMWRSDLUATF-MSOLQXFVSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413219 735218773 /nfs/dbraw/zinc/21/87/73/735218773.db2.gz BTKZJCTURIMFPX-GJZGRUSLSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413219 735218778 /nfs/dbraw/zinc/21/87/78/735218778.db2.gz BTKZJCTURIMFPX-GJZGRUSLSA-N 2 1 300.406 1.222 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489867 735270255 /nfs/dbraw/zinc/27/02/55/735270255.db2.gz MOQPKVOYPRQCEQ-OAHLLOKOSA-N 2 1 310.401 1.799 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024437892 735826967 /nfs/dbraw/zinc/82/69/67/735826967.db2.gz YOMQSAFSRJUBLH-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437892 735826969 /nfs/dbraw/zinc/82/69/69/735826969.db2.gz YOMQSAFSRJUBLH-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437892 735826971 /nfs/dbraw/zinc/82/69/71/735826971.db2.gz YOMQSAFSRJUBLH-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516795 735894715 /nfs/dbraw/zinc/89/47/15/735894715.db2.gz NWRLBXDNQPAAHA-GJZGRUSLSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516795 735894718 /nfs/dbraw/zinc/89/47/18/735894718.db2.gz NWRLBXDNQPAAHA-GJZGRUSLSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520440 735895311 /nfs/dbraw/zinc/89/53/11/735895311.db2.gz KDGRGBRHVYRPDP-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520440 735895312 /nfs/dbraw/zinc/89/53/12/735895312.db2.gz KDGRGBRHVYRPDP-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001027984804 738909131 /nfs/dbraw/zinc/90/91/31/738909131.db2.gz UGXAHYRYNQBHJC-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001087301958 735983692 /nfs/dbraw/zinc/98/36/92/735983692.db2.gz LLZNZEZCUSZBHZ-BRWVUGGUSA-N 2 1 317.477 1.567 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148383 737145846 /nfs/dbraw/zinc/14/58/46/737145846.db2.gz DMAVGDSMRFONAV-GRYWWWGRSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148383 737145849 /nfs/dbraw/zinc/14/58/49/737145849.db2.gz DMAVGDSMRFONAV-GRYWWWGRSA-N 2 1 311.857 1.658 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908954 737363591 /nfs/dbraw/zinc/36/35/91/737363591.db2.gz QHKXCCLOONCPGG-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041352934 739049696 /nfs/dbraw/zinc/04/96/96/739049696.db2.gz CUEBIBALYNRWEI-QGZVFWFLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997949397 751415515 /nfs/dbraw/zinc/41/55/15/751415515.db2.gz MMPHQZHUMAIOQX-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997949397 751415516 /nfs/dbraw/zinc/41/55/16/751415516.db2.gz MMPHQZHUMAIOQX-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997949397 751415518 /nfs/dbraw/zinc/41/55/18/751415518.db2.gz MMPHQZHUMAIOQX-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001028640327 739833064 /nfs/dbraw/zinc/83/30/64/739833064.db2.gz MKEKSFWYBIGANE-GJZGRUSLSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028640327 739833068 /nfs/dbraw/zinc/83/30/68/739833068.db2.gz MKEKSFWYBIGANE-GJZGRUSLSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028640327 739833075 /nfs/dbraw/zinc/83/30/75/739833075.db2.gz MKEKSFWYBIGANE-GJZGRUSLSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766384 740011090 /nfs/dbraw/zinc/01/10/90/740011090.db2.gz QUHYOQOSNMSCCY-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766384 740011093 /nfs/dbraw/zinc/01/10/93/740011093.db2.gz QUHYOQOSNMSCCY-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028860111 740119333 /nfs/dbraw/zinc/11/93/33/740119333.db2.gz PUKLTAGDIGSUGI-OAHLLOKOSA-N 2 1 319.453 1.073 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918721 740173781 /nfs/dbraw/zinc/17/37/81/740173781.db2.gz MAVYSICMUXFPKK-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918721 740173784 /nfs/dbraw/zinc/17/37/84/740173784.db2.gz MAVYSICMUXFPKK-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918721 740173787 /nfs/dbraw/zinc/17/37/87/740173787.db2.gz MAVYSICMUXFPKK-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569595 740658814 /nfs/dbraw/zinc/65/88/14/740658814.db2.gz DNXSCVAOUHEXIU-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569595 740658817 /nfs/dbraw/zinc/65/88/17/740658817.db2.gz DNXSCVAOUHEXIU-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569595 740658820 /nfs/dbraw/zinc/65/88/20/740658820.db2.gz DNXSCVAOUHEXIU-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593818 740669391 /nfs/dbraw/zinc/66/93/91/740669391.db2.gz XFHNTJWVDXXGGR-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593818 740669393 /nfs/dbraw/zinc/66/93/93/740669393.db2.gz XFHNTJWVDXXGGR-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593818 740669398 /nfs/dbraw/zinc/66/93/98/740669398.db2.gz XFHNTJWVDXXGGR-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727072 740722825 /nfs/dbraw/zinc/72/28/25/740722825.db2.gz FAZMXBREDLITFO-DAYGRLMNSA-N 2 1 323.456 1.801 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1CC ZINC001087790803 740752205 /nfs/dbraw/zinc/75/22/05/740752205.db2.gz FYGBOPDOXSKSCC-ZWKOTPCHSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208430 741108679 /nfs/dbraw/zinc/10/86/79/741108679.db2.gz ZFFIABYWJWEDJR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208430 741108680 /nfs/dbraw/zinc/10/86/80/741108680.db2.gz ZFFIABYWJWEDJR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208430 741108681 /nfs/dbraw/zinc/10/86/81/741108681.db2.gz ZFFIABYWJWEDJR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208430 741108682 /nfs/dbraw/zinc/10/86/82/741108682.db2.gz ZFFIABYWJWEDJR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208430 741108683 /nfs/dbraw/zinc/10/86/83/741108683.db2.gz ZFFIABYWJWEDJR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001088769724 742336825 /nfs/dbraw/zinc/33/68/25/742336825.db2.gz AHMYWVSXFSURQQ-QAPCUYQASA-N 2 1 313.445 1.617 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904057 743386712 /nfs/dbraw/zinc/38/67/12/743386712.db2.gz PPPVZEBOFRWLLD-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002873184 743536881 /nfs/dbraw/zinc/53/68/81/743536881.db2.gz ARNKXHGGBHXDOO-HZPDHXFCSA-N 2 1 307.438 1.006 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001185676092 744273653 /nfs/dbraw/zinc/27/36/53/744273653.db2.gz LCASJOALESKJAC-CQSZACIVSA-N 2 1 316.405 1.098 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188970042 744802077 /nfs/dbraw/zinc/80/20/77/744802077.db2.gz FHNMOUMBHKKLHS-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992350019 744812743 /nfs/dbraw/zinc/81/27/43/744812743.db2.gz JEXGPHYNMZPCQO-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992350019 744812746 /nfs/dbraw/zinc/81/27/46/744812746.db2.gz JEXGPHYNMZPCQO-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425771 744893798 /nfs/dbraw/zinc/89/37/98/744893798.db2.gz PYUZAMYMMZYJAC-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425771 744893801 /nfs/dbraw/zinc/89/38/01/744893801.db2.gz PYUZAMYMMZYJAC-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190324742 745182405 /nfs/dbraw/zinc/18/24/05/745182405.db2.gz NISSTELMAKZIJV-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190654480 745285923 /nfs/dbraw/zinc/28/59/23/745285923.db2.gz KBXUXHRGMKOSEP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190654480 745285929 /nfs/dbraw/zinc/28/59/29/745285929.db2.gz KBXUXHRGMKOSEP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190654480 745285935 /nfs/dbraw/zinc/28/59/35/745285935.db2.gz KBXUXHRGMKOSEP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743544 745315601 /nfs/dbraw/zinc/31/56/01/745315601.db2.gz LAYTYIVTHOBSBH-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190743544 745315606 /nfs/dbraw/zinc/31/56/06/745315606.db2.gz LAYTYIVTHOBSBH-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190743544 745315610 /nfs/dbraw/zinc/31/56/10/745315610.db2.gz LAYTYIVTHOBSBH-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989342 745658950 /nfs/dbraw/zinc/65/89/50/745658950.db2.gz TYSSMDMPUMYDNS-OAHLLOKOSA-N 2 1 303.406 1.511 20 30 DDEDMP COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001192577390 745829296 /nfs/dbraw/zinc/82/92/96/745829296.db2.gz GEKQZILCMMFZHB-HZPDHXFCSA-N 2 1 318.421 1.017 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667411 745886562 /nfs/dbraw/zinc/88/65/62/745886562.db2.gz YIHKTVLQDBGCBW-VNQPRFMTSA-N 2 1 314.433 1.071 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352524 746095428 /nfs/dbraw/zinc/09/54/28/746095428.db2.gz STGHYOCVJQVVBD-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352524 746095437 /nfs/dbraw/zinc/09/54/37/746095437.db2.gz STGHYOCVJQVVBD-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352524 746095441 /nfs/dbraw/zinc/09/54/41/746095441.db2.gz STGHYOCVJQVVBD-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352524 746095452 /nfs/dbraw/zinc/09/54/52/746095452.db2.gz STGHYOCVJQVVBD-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462188 746109830 /nfs/dbraw/zinc/10/98/30/746109830.db2.gz LUEMHCBLAYJEMZ-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193462188 746109833 /nfs/dbraw/zinc/10/98/33/746109833.db2.gz LUEMHCBLAYJEMZ-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193462188 746109835 /nfs/dbraw/zinc/10/98/35/746109835.db2.gz LUEMHCBLAYJEMZ-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993525562 746196561 /nfs/dbraw/zinc/19/65/61/746196561.db2.gz FIIWJNNGZFYZFI-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H](C)CC)C2)CC1 ZINC001194247309 746320109 /nfs/dbraw/zinc/32/01/09/746320109.db2.gz WJDXWBOUFIHNJC-AEFFLSMTSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993932904 746380021 /nfs/dbraw/zinc/38/00/21/746380021.db2.gz WPYTXBPFUMYWIV-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994447553 746660339 /nfs/dbraw/zinc/66/03/39/746660339.db2.gz AIKQTMLPTKKACW-CRAIPNDOSA-N 2 1 313.445 1.964 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002994407 746889452 /nfs/dbraw/zinc/88/94/52/746889452.db2.gz HIXJOBCIQWKKHG-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cncc2C)CC(C)(C)C1 ZINC001089440597 746907922 /nfs/dbraw/zinc/90/79/22/746907922.db2.gz BQWUZPFZKFWYON-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440597 746907927 /nfs/dbraw/zinc/90/79/27/746907927.db2.gz BQWUZPFZKFWYON-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440597 746907930 /nfs/dbraw/zinc/90/79/30/746907930.db2.gz BQWUZPFZKFWYON-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP CC[NH+](CC)CCCNC(=S)NC1(C#N)CC[NH+](C)CC1 ZINC001196721398 746944742 /nfs/dbraw/zinc/94/47/42/746944742.db2.gz OSVDYRLRBQGINS-UHFFFAOYSA-N 2 1 311.499 1.170 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001198661493 747571423 /nfs/dbraw/zinc/57/14/23/747571423.db2.gz GGPUZBSWXUAYAU-BZUAXINKSA-N 2 1 311.470 1.070 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198661493 747571430 /nfs/dbraw/zinc/57/14/30/747571430.db2.gz GGPUZBSWXUAYAU-BZUAXINKSA-N 2 1 311.470 1.070 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198661493 747571436 /nfs/dbraw/zinc/57/14/36/747571436.db2.gz GGPUZBSWXUAYAU-BZUAXINKSA-N 2 1 311.470 1.070 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407693 752199684 /nfs/dbraw/zinc/19/96/84/752199684.db2.gz CXHAIHHIZXTSOL-ARFHVFGLSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199944315 748046285 /nfs/dbraw/zinc/04/62/85/748046285.db2.gz XCRABBSWVCFMHK-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944315 748046294 /nfs/dbraw/zinc/04/62/94/748046294.db2.gz XCRABBSWVCFMHK-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200688410 748311753 /nfs/dbraw/zinc/31/17/53/748311753.db2.gz PKFXSMRQOBMJPW-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201230402 748437230 /nfs/dbraw/zinc/43/72/30/748437230.db2.gz PDDCMZDCCWATED-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201247161 748444040 /nfs/dbraw/zinc/44/40/40/748444040.db2.gz ZAATUSXBBGJNOV-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001124838788 748534428 /nfs/dbraw/zinc/53/44/28/748534428.db2.gz ZNTZZDBWDSNDQC-MRXNPFEDSA-N 2 1 319.836 1.492 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001124872925 748578382 /nfs/dbraw/zinc/57/83/82/748578382.db2.gz PFPYLKWSVYAADC-MRXNPFEDSA-N 2 1 319.836 1.492 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551605 748621576 /nfs/dbraw/zinc/62/15/76/748621576.db2.gz ACAPPSFKSTUQCM-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551605 748621582 /nfs/dbraw/zinc/62/15/82/748621582.db2.gz ACAPPSFKSTUQCM-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551605 748621587 /nfs/dbraw/zinc/62/15/87/748621587.db2.gz ACAPPSFKSTUQCM-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001202496773 748934989 /nfs/dbraw/zinc/93/49/89/748934989.db2.gz XVZQLNLYGPHPAD-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001033269685 749098895 /nfs/dbraw/zinc/09/88/95/749098895.db2.gz UAVXBZDJGUTHIY-HNNXBMFYSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269685 749098905 /nfs/dbraw/zinc/09/89/05/749098905.db2.gz UAVXBZDJGUTHIY-HNNXBMFYSA-N 2 1 314.433 1.318 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191170 749410524 /nfs/dbraw/zinc/41/05/24/749410524.db2.gz UXIHOWASXIMBEN-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191170 749410530 /nfs/dbraw/zinc/41/05/30/749410530.db2.gz UXIHOWASXIMBEN-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996618139 749791962 /nfs/dbraw/zinc/79/19/62/749791962.db2.gz DKJPGRHYVCSVHD-HOTGVXAUSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001039394356 761993849 /nfs/dbraw/zinc/99/38/49/761993849.db2.gz WFTODMUHYNDGID-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001039394356 761993851 /nfs/dbraw/zinc/99/38/51/761993851.db2.gz WFTODMUHYNDGID-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039394356 761993853 /nfs/dbraw/zinc/99/38/53/761993853.db2.gz WFTODMUHYNDGID-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039394356 761993855 /nfs/dbraw/zinc/99/38/55/761993855.db2.gz WFTODMUHYNDGID-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634025 750281182 /nfs/dbraw/zinc/28/11/82/750281182.db2.gz GTCJALBYSXVAGJ-NVXWUHKLSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634025 750281186 /nfs/dbraw/zinc/28/11/86/750281186.db2.gz GTCJALBYSXVAGJ-NVXWUHKLSA-N 2 1 302.422 1.738 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001032445778 750848108 /nfs/dbraw/zinc/84/81/08/750848108.db2.gz QPDRUFFDKDNACM-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001032445778 750848115 /nfs/dbraw/zinc/84/81/15/750848115.db2.gz QPDRUFFDKDNACM-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001032445778 750848122 /nfs/dbraw/zinc/84/81/22/750848122.db2.gz QPDRUFFDKDNACM-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001032452899 750872160 /nfs/dbraw/zinc/87/21/60/750872160.db2.gz LKZILICIEJSYSV-FHWLQOOXSA-N 2 1 323.440 1.569 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997653795 751184893 /nfs/dbraw/zinc/18/48/93/751184893.db2.gz RYXCPSYZCSYHNX-ZDUSSCGKSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001036293268 752332602 /nfs/dbraw/zinc/33/26/02/752332602.db2.gz IKPVSVUAXCEEND-BXUZGUMPSA-N 2 1 310.829 1.771 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008506560 752771980 /nfs/dbraw/zinc/77/19/80/752771980.db2.gz CROHPEWCPIJDSS-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008506560 752771981 /nfs/dbraw/zinc/77/19/81/752771981.db2.gz CROHPEWCPIJDSS-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008506560 752771986 /nfs/dbraw/zinc/77/19/86/752771986.db2.gz CROHPEWCPIJDSS-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009586948 753261296 /nfs/dbraw/zinc/26/12/96/753261296.db2.gz DROTYCMBCIHTJZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009586948 753261302 /nfs/dbraw/zinc/26/13/02/753261302.db2.gz DROTYCMBCIHTJZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009586948 753261307 /nfs/dbraw/zinc/26/13/07/753261307.db2.gz DROTYCMBCIHTJZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009586948 753261313 /nfs/dbraw/zinc/26/13/13/753261313.db2.gz DROTYCMBCIHTJZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999987542 753299562 /nfs/dbraw/zinc/29/95/62/753299562.db2.gz XTVGGHVMTFNYJM-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCF)CC1 ZINC001000790138 762204395 /nfs/dbraw/zinc/20/43/95/762204395.db2.gz FPIQACIMGUPTNL-INIZCTEOSA-N 2 1 307.413 1.192 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCF)CC1 ZINC001000790138 762204400 /nfs/dbraw/zinc/20/44/00/762204400.db2.gz FPIQACIMGUPTNL-INIZCTEOSA-N 2 1 307.413 1.192 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCF)CC1 ZINC001000790138 762204404 /nfs/dbraw/zinc/20/44/04/762204404.db2.gz FPIQACIMGUPTNL-INIZCTEOSA-N 2 1 307.413 1.192 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCF)CC1 ZINC001000790138 762204408 /nfs/dbraw/zinc/20/44/08/762204408.db2.gz FPIQACIMGUPTNL-INIZCTEOSA-N 2 1 307.413 1.192 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001000791112 762205916 /nfs/dbraw/zinc/20/59/16/762205916.db2.gz MAYIMTACAJSXKJ-RDJZCZTQSA-N 2 1 321.440 1.580 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001000791112 762205920 /nfs/dbraw/zinc/20/59/20/762205920.db2.gz MAYIMTACAJSXKJ-RDJZCZTQSA-N 2 1 321.440 1.580 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC[C@H](C)F)CC1 ZINC001000791112 762205922 /nfs/dbraw/zinc/20/59/22/762205922.db2.gz MAYIMTACAJSXKJ-RDJZCZTQSA-N 2 1 321.440 1.580 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC[C@H](C)F)CC1 ZINC001000791112 762205925 /nfs/dbraw/zinc/20/59/25/762205925.db2.gz MAYIMTACAJSXKJ-RDJZCZTQSA-N 2 1 321.440 1.580 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430691 753476613 /nfs/dbraw/zinc/47/66/13/753476613.db2.gz WZNYRSIYLAFEPT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430691 753476616 /nfs/dbraw/zinc/47/66/16/753476616.db2.gz WZNYRSIYLAFEPT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430691 753476620 /nfs/dbraw/zinc/47/66/20/753476620.db2.gz WZNYRSIYLAFEPT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001006001861 753486653 /nfs/dbraw/zinc/48/66/53/753486653.db2.gz SGJHKQFSWVNWPP-IUODEOHRSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001006001861 753486654 /nfs/dbraw/zinc/48/66/54/753486654.db2.gz SGJHKQFSWVNWPP-IUODEOHRSA-N 2 1 313.873 1.859 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001000841140 762253468 /nfs/dbraw/zinc/25/34/68/762253468.db2.gz LKWKANVIPBXTIO-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001000841140 762253471 /nfs/dbraw/zinc/25/34/71/762253471.db2.gz LKWKANVIPBXTIO-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001000841140 762253473 /nfs/dbraw/zinc/25/34/73/762253473.db2.gz LKWKANVIPBXTIO-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)Cn2ccnc2)CC2(CCOCC2)C1 ZINC001089970318 754329848 /nfs/dbraw/zinc/32/98/48/754329848.db2.gz ZDZAFQXWDGFXTR-OAHLLOKOSA-N 2 1 318.421 1.056 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001835734 754531613 /nfs/dbraw/zinc/53/16/13/754531613.db2.gz ZLUFGBBPUKUULL-WBVHZDCISA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446109 755922484 /nfs/dbraw/zinc/92/24/84/755922484.db2.gz BDNGSIICDZJPOA-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446109 755922487 /nfs/dbraw/zinc/92/24/87/755922487.db2.gz BDNGSIICDZJPOA-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202431 762436735 /nfs/dbraw/zinc/43/67/35/762436735.db2.gz RKDBIWWIMGISNF-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202431 762436738 /nfs/dbraw/zinc/43/67/38/762436738.db2.gz RKDBIWWIMGISNF-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202431 762436740 /nfs/dbraw/zinc/43/67/40/762436740.db2.gz RKDBIWWIMGISNF-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799617 756484301 /nfs/dbraw/zinc/48/43/01/756484301.db2.gz XCLYBZBPNLZQPW-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799617 756484303 /nfs/dbraw/zinc/48/43/03/756484303.db2.gz XCLYBZBPNLZQPW-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799617 756484306 /nfs/dbraw/zinc/48/43/06/756484306.db2.gz XCLYBZBPNLZQPW-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001082521546 756843445 /nfs/dbraw/zinc/84/34/45/756843445.db2.gz MNDAKGINKJCCDP-RBSFLKMASA-N 2 1 302.422 1.466 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097218971 756988798 /nfs/dbraw/zinc/98/87/98/756988798.db2.gz OAGLYIYVHNJYBW-MLHJIOFPSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097218971 756988804 /nfs/dbraw/zinc/98/88/04/756988804.db2.gz OAGLYIYVHNJYBW-MLHJIOFPSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097218971 756988812 /nfs/dbraw/zinc/98/88/12/756988812.db2.gz OAGLYIYVHNJYBW-MLHJIOFPSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766764 757891371 /nfs/dbraw/zinc/89/13/71/757891371.db2.gz ONDNLMDQVJEXKL-QZTJIDSGSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766764 757891377 /nfs/dbraw/zinc/89/13/77/757891377.db2.gz ONDNLMDQVJEXKL-QZTJIDSGSA-N 2 1 315.461 1.274 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998135 758133341 /nfs/dbraw/zinc/13/33/41/758133341.db2.gz VVAJWSJDSOJOMS-NJAFHUGGSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001017835248 758284229 /nfs/dbraw/zinc/28/42/29/758284229.db2.gz HYIJZWDZLYCCIB-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017835248 758284237 /nfs/dbraw/zinc/28/42/37/758284237.db2.gz HYIJZWDZLYCCIB-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017835248 758284251 /nfs/dbraw/zinc/28/42/51/758284251.db2.gz HYIJZWDZLYCCIB-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018114873 758557849 /nfs/dbraw/zinc/55/78/49/758557849.db2.gz YUGWVBXSCPZTDC-IYBDPMFKSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018114873 758557854 /nfs/dbraw/zinc/55/78/54/758557854.db2.gz YUGWVBXSCPZTDC-IYBDPMFKSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001053891580 758924321 /nfs/dbraw/zinc/92/43/21/758924321.db2.gz VTPHZZFZDUFBKT-OAHLLOKOSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085225279 759169438 /nfs/dbraw/zinc/16/94/38/759169438.db2.gz PKSYKYJNRYNSRV-KFWWJZLASA-N 2 1 300.406 1.411 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134912 759209686 /nfs/dbraw/zinc/20/96/86/759209686.db2.gz PJCZWAUCINOHPI-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134912 759209694 /nfs/dbraw/zinc/20/96/94/759209694.db2.gz PJCZWAUCINOHPI-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134912 759209698 /nfs/dbraw/zinc/20/96/98/759209698.db2.gz PJCZWAUCINOHPI-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153634 759236082 /nfs/dbraw/zinc/23/60/82/759236082.db2.gz VHKNVDNDIOZDBS-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153634 759236085 /nfs/dbraw/zinc/23/60/85/759236085.db2.gz VHKNVDNDIOZDBS-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153634 759236093 /nfs/dbraw/zinc/23/60/93/759236093.db2.gz VHKNVDNDIOZDBS-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848264 762703719 /nfs/dbraw/zinc/70/37/19/762703719.db2.gz HFKUOVLZPAPUAM-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244258 759334396 /nfs/dbraw/zinc/33/43/96/759334396.db2.gz BJDGGROCKOXXIP-LJQANCHMSA-N 2 1 317.477 1.810 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001019285368 759763953 /nfs/dbraw/zinc/76/39/53/759763953.db2.gz JVHJHXGXZAGTIK-KBPBESRZSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001019285368 759763955 /nfs/dbraw/zinc/76/39/55/759763955.db2.gz JVHJHXGXZAGTIK-KBPBESRZSA-N 2 1 315.845 1.039 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097972194 760312238 /nfs/dbraw/zinc/31/22/38/760312238.db2.gz QOFLUSPLDUHJMA-MLHJIOFPSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097972195 760313127 /nfs/dbraw/zinc/31/31/27/760313127.db2.gz QOFLUSPLDUHJMA-TVFCKZIOSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108215745 760407422 /nfs/dbraw/zinc/40/74/22/760407422.db2.gz IDKPMFLZOZCSRE-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215745 760407427 /nfs/dbraw/zinc/40/74/27/760407427.db2.gz IDKPMFLZOZCSRE-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215745 760407431 /nfs/dbraw/zinc/40/74/31/760407431.db2.gz IDKPMFLZOZCSRE-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108220978 760510183 /nfs/dbraw/zinc/51/01/83/760510183.db2.gz QODPVHMWWKYNDS-RDJZCZTQSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001098418677 761246921 /nfs/dbraw/zinc/24/69/21/761246921.db2.gz AHHDDFNQGSYPSU-UHFFFAOYSA-N 2 1 321.465 1.086 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086459950 761648145 /nfs/dbraw/zinc/64/81/45/761648145.db2.gz BVSNVERSLVMKHO-KKUMJFAQSA-N 2 1 302.422 1.424 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163924 761791252 /nfs/dbraw/zinc/79/12/52/761791252.db2.gz GAJRRDNKPQYVIR-SJLPKXTDSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163924 761791256 /nfs/dbraw/zinc/79/12/56/761791256.db2.gz GAJRRDNKPQYVIR-SJLPKXTDSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163924 761791259 /nfs/dbraw/zinc/79/12/59/761791259.db2.gz GAJRRDNKPQYVIR-SJLPKXTDSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404531 762832620 /nfs/dbraw/zinc/83/26/20/762832620.db2.gz ISAVERCZTIPHOL-QZTJIDSGSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001001461345 762883441 /nfs/dbraw/zinc/88/34/41/762883441.db2.gz JRAACBPCEARDBH-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001461345 762883448 /nfs/dbraw/zinc/88/34/48/762883448.db2.gz JRAACBPCEARDBH-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001461345 762883455 /nfs/dbraw/zinc/88/34/55/762883455.db2.gz JRAACBPCEARDBH-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001461345 762883462 /nfs/dbraw/zinc/88/34/62/762883462.db2.gz JRAACBPCEARDBH-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108763994 762924178 /nfs/dbraw/zinc/92/41/78/762924178.db2.gz AMRYXAZYKPXWDW-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357819 762978182 /nfs/dbraw/zinc/97/81/82/762978182.db2.gz IZLRGIKDRICZIR-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357819 762978184 /nfs/dbraw/zinc/97/81/84/762978184.db2.gz IZLRGIKDRICZIR-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357819 762978185 /nfs/dbraw/zinc/97/81/85/762978185.db2.gz IZLRGIKDRICZIR-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC001041366746 762982870 /nfs/dbraw/zinc/98/28/70/762982870.db2.gz ANXNMTIZEZCDCM-HKUYNNGSSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC001041366746 762982873 /nfs/dbraw/zinc/98/28/73/762982873.db2.gz ANXNMTIZEZCDCM-HKUYNNGSSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041366746 762982877 /nfs/dbraw/zinc/98/28/77/762982877.db2.gz ANXNMTIZEZCDCM-HKUYNNGSSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041366746 762982880 /nfs/dbraw/zinc/98/28/80/762982880.db2.gz ANXNMTIZEZCDCM-HKUYNNGSSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050046827 763059629 /nfs/dbraw/zinc/05/96/29/763059629.db2.gz NPXAUNITHZNTGD-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046827 763059635 /nfs/dbraw/zinc/05/96/35/763059635.db2.gz NPXAUNITHZNTGD-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046827 763059640 /nfs/dbraw/zinc/05/96/40/763059640.db2.gz NPXAUNITHZNTGD-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041674829 763214481 /nfs/dbraw/zinc/21/44/81/763214481.db2.gz LOOLHTXHNCJMJY-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041674829 763214486 /nfs/dbraw/zinc/21/44/86/763214486.db2.gz LOOLHTXHNCJMJY-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041674829 763214494 /nfs/dbraw/zinc/21/44/94/763214494.db2.gz LOOLHTXHNCJMJY-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041740734 763276463 /nfs/dbraw/zinc/27/64/63/763276463.db2.gz DGIIHVXLLVXJHU-GOSISDBHSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041740734 763276471 /nfs/dbraw/zinc/27/64/71/763276471.db2.gz DGIIHVXLLVXJHU-GOSISDBHSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756307 763292956 /nfs/dbraw/zinc/29/29/56/763292956.db2.gz FEWSXKZQTGKPBB-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042158533 763724021 /nfs/dbraw/zinc/72/40/21/763724021.db2.gz YTDMMAKCUOUPKD-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042158533 763724022 /nfs/dbraw/zinc/72/40/22/763724022.db2.gz YTDMMAKCUOUPKD-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663664 763888229 /nfs/dbraw/zinc/88/82/29/763888229.db2.gz YFGOAGBFLSGPSP-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050764328 764019111 /nfs/dbraw/zinc/01/91/11/764019111.db2.gz CALFMDOCRSDSNU-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H](C)O2 ZINC001131668687 768250362 /nfs/dbraw/zinc/25/03/62/768250362.db2.gz CABRAMFYFCNTMA-YJBOKZPZSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H](C)O2 ZINC001131668687 768250367 /nfs/dbraw/zinc/25/03/67/768250367.db2.gz CABRAMFYFCNTMA-YJBOKZPZSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H](C)O2 ZINC001131668687 768250369 /nfs/dbraw/zinc/25/03/69/768250369.db2.gz CABRAMFYFCNTMA-YJBOKZPZSA-N 2 1 321.465 1.042 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432038 765687885 /nfs/dbraw/zinc/68/78/85/765687885.db2.gz IGDMQFGFDKKFSB-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425935 765815108 /nfs/dbraw/zinc/81/51/08/765815108.db2.gz HQIRBZGSXYYJPN-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425935 765815114 /nfs/dbraw/zinc/81/51/14/765815114.db2.gz HQIRBZGSXYYJPN-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425935 765815122 /nfs/dbraw/zinc/81/51/22/765815122.db2.gz HQIRBZGSXYYJPN-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052485975 765876918 /nfs/dbraw/zinc/87/69/18/765876918.db2.gz GHLJNZJVNDYTGI-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231484 768333721 /nfs/dbraw/zinc/33/37/21/768333721.db2.gz NHSJIUXPUBNBHB-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1)C1CCC1 ZINC001129526742 766914886 /nfs/dbraw/zinc/91/48/86/766914886.db2.gz QBIHFUGYXVMNDF-UHFFFAOYSA-N 2 1 318.396 1.387 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297520 767417818 /nfs/dbraw/zinc/41/78/18/767417818.db2.gz NTNCRAWDIVFDEA-LLVKDONJSA-N 2 1 304.232 1.085 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046371108 767480390 /nfs/dbraw/zinc/48/03/90/767480390.db2.gz GKGIFQQXSCZQQS-WMLDXEAASA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046371108 767480392 /nfs/dbraw/zinc/48/03/92/767480392.db2.gz GKGIFQQXSCZQQS-WMLDXEAASA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046376048 767485748 /nfs/dbraw/zinc/48/57/48/767485748.db2.gz QTLDBLROZOVBLA-SJLPKXTDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046376048 767485751 /nfs/dbraw/zinc/48/57/51/767485751.db2.gz QTLDBLROZOVBLA-SJLPKXTDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046376048 767485754 /nfs/dbraw/zinc/48/57/54/767485754.db2.gz QTLDBLROZOVBLA-SJLPKXTDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132407111 768811072 /nfs/dbraw/zinc/81/10/72/768811072.db2.gz VEKQERVUVYTMQL-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121396 769512387 /nfs/dbraw/zinc/51/23/87/769512387.db2.gz HTXASLGGASLRTE-DLBZAZTESA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562042 769535518 /nfs/dbraw/zinc/53/55/18/769535518.db2.gz JDMSQXDNQMRGSN-JCECYMMASA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562042 769535524 /nfs/dbraw/zinc/53/55/24/769535524.db2.gz JDMSQXDNQMRGSN-JCECYMMASA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C2 ZINC001048562042 769535534 /nfs/dbraw/zinc/53/55/34/769535534.db2.gz JDMSQXDNQMRGSN-JCECYMMASA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071606331 769703869 /nfs/dbraw/zinc/70/38/69/769703869.db2.gz HYHCJKGRRXNLMQ-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857639 769997670 /nfs/dbraw/zinc/99/76/70/769997670.db2.gz IOWXZRWQBPFNEI-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857639 769997676 /nfs/dbraw/zinc/99/76/76/769997676.db2.gz IOWXZRWQBPFNEI-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857639 769997682 /nfs/dbraw/zinc/99/76/82/769997682.db2.gz IOWXZRWQBPFNEI-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071871706 770205226 /nfs/dbraw/zinc/20/52/26/770205226.db2.gz JQFRAAREFSKKIS-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001133833862 770317769 /nfs/dbraw/zinc/31/77/69/770317769.db2.gz HYQLKLUPRYHLGZ-CYBMUJFWSA-N 2 1 318.396 1.387 20 30 DDEDMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]CC#Cc2ccccc2)C1 ZINC001133893706 770419456 /nfs/dbraw/zinc/41/94/56/770419456.db2.gz NJADUXLQPBJVJV-UHFFFAOYSA-N 2 1 313.445 1.476 20 30 DDEDMP C=C(Cl)C[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133886414 770426096 /nfs/dbraw/zinc/42/60/96/770426096.db2.gz ODQBGKRLDSAFFX-UHFFFAOYSA-N 2 1 312.801 1.342 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049131035 770430675 /nfs/dbraw/zinc/43/06/75/770430675.db2.gz DHDHFGCYJCNPAR-CALCHBBNSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170761 770494857 /nfs/dbraw/zinc/49/48/57/770494857.db2.gz DLAVXPUXOAZWCA-WNRNVDISSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3cnccc3N(C)C)C[C@H]2C1 ZINC001049174197 770498822 /nfs/dbraw/zinc/49/88/22/770498822.db2.gz NTAFCRUATVOZRP-OKILXGFUSA-N 2 1 300.406 1.337 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049174197 770498825 /nfs/dbraw/zinc/49/88/25/770498825.db2.gz NTAFCRUATVOZRP-OKILXGFUSA-N 2 1 300.406 1.337 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049174197 770498828 /nfs/dbraw/zinc/49/88/28/770498828.db2.gz NTAFCRUATVOZRP-OKILXGFUSA-N 2 1 300.406 1.337 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049476082 770903280 /nfs/dbraw/zinc/90/32/80/770903280.db2.gz BWFAIXPCUXTJPK-GVDBMIGSSA-N 2 1 301.434 1.027 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049891349 771237344 /nfs/dbraw/zinc/23/73/44/771237344.db2.gz SLLYEYYCDDKVCU-SOUVJXGZSA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049891349 771237347 /nfs/dbraw/zinc/23/73/47/771237347.db2.gz SLLYEYYCDDKVCU-SOUVJXGZSA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049891349 771237350 /nfs/dbraw/zinc/23/73/50/771237350.db2.gz SLLYEYYCDDKVCU-SOUVJXGZSA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049891349 771237355 /nfs/dbraw/zinc/23/73/55/771237355.db2.gz SLLYEYYCDDKVCU-SOUVJXGZSA-N 2 1 311.857 1.756 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086803101 771774157 /nfs/dbraw/zinc/77/41/57/771774157.db2.gz PUXZGRYNTHWDHZ-ARFHVFGLSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC001144946727 772730308 /nfs/dbraw/zinc/73/03/08/772730308.db2.gz ZMHLVYIWESGLLO-RDJZCZTQSA-N 2 1 317.433 1.332 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706503 772922764 /nfs/dbraw/zinc/92/27/64/772922764.db2.gz FXCUOZIGFOWECR-HZPDHXFCSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706503 772922765 /nfs/dbraw/zinc/92/27/65/772922765.db2.gz FXCUOZIGFOWECR-HZPDHXFCSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=C)C ZINC001171308835 773161047 /nfs/dbraw/zinc/16/10/47/773161047.db2.gz XGEOVPJCOFDKCN-IRXDYDNUSA-N 2 1 305.466 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(=C)C ZINC001171308835 773161048 /nfs/dbraw/zinc/16/10/48/773161048.db2.gz XGEOVPJCOFDKCN-IRXDYDNUSA-N 2 1 305.466 1.925 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627206 773235770 /nfs/dbraw/zinc/23/57/70/773235770.db2.gz HUFIDHKWYLDUKB-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627206 773235772 /nfs/dbraw/zinc/23/57/72/773235772.db2.gz HUFIDHKWYLDUKB-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627206 773235773 /nfs/dbraw/zinc/23/57/73/773235773.db2.gz HUFIDHKWYLDUKB-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091667252 773267416 /nfs/dbraw/zinc/26/74/16/773267416.db2.gz QHSVWFGLNQHOTL-LMMKCTJWSA-N 2 1 317.477 1.663 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001147884593 773285733 /nfs/dbraw/zinc/28/57/33/773285733.db2.gz GIDYOOUMKYTIER-AWEZNQCLSA-N 2 1 300.406 1.106 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148900023 773629977 /nfs/dbraw/zinc/62/99/77/773629977.db2.gz PECHQNITUJQDJZ-UHFFFAOYSA-N 2 1 317.477 1.810 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001074880727 774210796 /nfs/dbraw/zinc/21/07/96/774210796.db2.gz WFFTZHHSADUNML-QRTARXTBSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092756945 774251977 /nfs/dbraw/zinc/25/19/77/774251977.db2.gz NHBVJKJJKRABQT-UKRRQHHQSA-N 2 1 310.401 1.574 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092763517 774254038 /nfs/dbraw/zinc/25/40/38/774254038.db2.gz WAVYYOFGEUGQEZ-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092763517 774254039 /nfs/dbraw/zinc/25/40/39/774254039.db2.gz WAVYYOFGEUGQEZ-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092763517 774254041 /nfs/dbraw/zinc/25/40/41/774254041.db2.gz WAVYYOFGEUGQEZ-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036749007 774471492 /nfs/dbraw/zinc/47/14/92/774471492.db2.gz PDQIHEMEAHTBJP-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754152 774478501 /nfs/dbraw/zinc/47/85/01/774478501.db2.gz AXMGWGNJAVEDOL-MAUKXSAKSA-N 2 1 322.412 1.812 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098429178 774577490 /nfs/dbraw/zinc/57/74/90/774577490.db2.gz RDXBQFDTHGRQIM-UHFFFAOYSA-N 2 1 320.437 1.053 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098429178 774577493 /nfs/dbraw/zinc/57/74/93/774577493.db2.gz RDXBQFDTHGRQIM-UHFFFAOYSA-N 2 1 320.437 1.053 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960489 774740346 /nfs/dbraw/zinc/74/03/46/774740346.db2.gz XSJDUMWLCKOBSU-SCTDSRPQSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820119 774747152 /nfs/dbraw/zinc/74/71/52/774747152.db2.gz CTOZRZCBEYAXSX-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820119 774747153 /nfs/dbraw/zinc/74/71/53/774747153.db2.gz CTOZRZCBEYAXSX-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836054 774811768 /nfs/dbraw/zinc/81/17/68/774811768.db2.gz LFSYVRPNIIUNCS-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092754 774825611 /nfs/dbraw/zinc/82/56/11/774825611.db2.gz KFKAAEYLVFFOIS-HKUYNNGSSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527994 775017852 /nfs/dbraw/zinc/01/78/52/775017852.db2.gz FQOAHUAMQSVJHE-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547175 775024638 /nfs/dbraw/zinc/02/46/38/775024638.db2.gz AOUHROGNWBRLOB-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547175 775024645 /nfs/dbraw/zinc/02/46/45/775024645.db2.gz AOUHROGNWBRLOB-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547175 775024653 /nfs/dbraw/zinc/02/46/53/775024653.db2.gz AOUHROGNWBRLOB-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556956 775029873 /nfs/dbraw/zinc/02/98/73/775029873.db2.gz UJXFKLHYBMUDMM-YVSFHVDLSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556956 775029879 /nfs/dbraw/zinc/02/98/79/775029879.db2.gz UJXFKLHYBMUDMM-YVSFHVDLSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556956 775029883 /nfs/dbraw/zinc/02/98/83/775029883.db2.gz UJXFKLHYBMUDMM-YVSFHVDLSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001093833095 775117115 /nfs/dbraw/zinc/11/71/15/775117115.db2.gz QZSMHFUBVBWYJJ-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCC2)[C@H](C)C1 ZINC001093833095 775117117 /nfs/dbraw/zinc/11/71/17/775117117.db2.gz QZSMHFUBVBWYJJ-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100407848 776110925 /nfs/dbraw/zinc/11/09/25/776110925.db2.gz LXHXJFGHSYOUMZ-NRXISQOPSA-N 2 1 302.422 1.821 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100858101 776640041 /nfs/dbraw/zinc/64/00/41/776640041.db2.gz FQUHOGWIFGPTBQ-VMWRSERWSA-N 2 1 313.445 1.797 20 30 DDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001172304349 776743424 /nfs/dbraw/zinc/74/34/24/776743424.db2.gz KAQBEBDFYCUIID-INIZCTEOSA-N 2 1 300.450 1.846 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102191407 777923939 /nfs/dbraw/zinc/92/39/39/777923939.db2.gz ZYJMRBOSGLNVOK-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176685599 778211729 /nfs/dbraw/zinc/21/17/29/778211729.db2.gz GEBLFEBFBAPHHR-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176685599 778211734 /nfs/dbraw/zinc/21/17/34/778211734.db2.gz GEBLFEBFBAPHHR-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241285 779971948 /nfs/dbraw/zinc/97/19/48/779971948.db2.gz FOAKNPINBVKHBS-NCOADZHNSA-N 2 1 307.482 1.955 20 30 DDEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115241285 779971955 /nfs/dbraw/zinc/97/19/55/779971955.db2.gz FOAKNPINBVKHBS-NCOADZHNSA-N 2 1 307.482 1.955 20 30 DDEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115241285 779971961 /nfs/dbraw/zinc/97/19/61/779971961.db2.gz FOAKNPINBVKHBS-NCOADZHNSA-N 2 1 307.482 1.955 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001267278248 837728453 /nfs/dbraw/zinc/72/84/53/837728453.db2.gz HGSMJIAREGZBJD-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001267278248 837728457 /nfs/dbraw/zinc/72/84/57/837728457.db2.gz HGSMJIAREGZBJD-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[NH+]1CCN(CCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001266272073 836021958 /nfs/dbraw/zinc/02/19/58/836021958.db2.gz WWFVDWLMYUEHHR-QGZVFWFLSA-N 2 1 322.497 1.028 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001279454036 836523716 /nfs/dbraw/zinc/52/37/16/836523716.db2.gz VKGIQBWXJHRVSJ-INIZCTEOSA-N 2 1 322.497 1.075 20 30 DDEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC001266726490 836737570 /nfs/dbraw/zinc/73/75/70/836737570.db2.gz YBKNANGUVPLJHU-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001266856281 836945632 /nfs/dbraw/zinc/94/56/32/836945632.db2.gz NEKMTYWEGFIODB-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCN1CCCC[C@@H]1CNC(=O)Cn1ccnc1C(C)C ZINC001266856281 836945643 /nfs/dbraw/zinc/94/56/43/836945643.db2.gz NEKMTYWEGFIODB-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271973547 844254016 /nfs/dbraw/zinc/25/40/16/844254016.db2.gz KUNMKTIEIDIYPY-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271973547 844254022 /nfs/dbraw/zinc/25/40/22/844254022.db2.gz KUNMKTIEIDIYPY-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271973547 844254037 /nfs/dbraw/zinc/25/40/37/844254037.db2.gz KUNMKTIEIDIYPY-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271973547 844254042 /nfs/dbraw/zinc/25/40/42/844254042.db2.gz KUNMKTIEIDIYPY-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001267522129 838242788 /nfs/dbraw/zinc/24/27/88/838242788.db2.gz ZFYQOXVGNPADBD-DJIMGWMZSA-N 2 1 301.434 1.960 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267565086 838315283 /nfs/dbraw/zinc/31/52/83/838315283.db2.gz YCXGMROJBNGSEO-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267565086 838315285 /nfs/dbraw/zinc/31/52/85/838315285.db2.gz YCXGMROJBNGSEO-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001267852770 839081904 /nfs/dbraw/zinc/08/19/04/839081904.db2.gz GYFUJKQNGGSFMX-WMZOPIPTSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001101525256 844397150 /nfs/dbraw/zinc/39/71/50/844397150.db2.gz LVJSLQOYPNEZCN-INIZCTEOSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001101525256 844397157 /nfs/dbraw/zinc/39/71/57/844397157.db2.gz LVJSLQOYPNEZCN-INIZCTEOSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268595748 840537752 /nfs/dbraw/zinc/53/77/52/840537752.db2.gz ZWXYHHJLPUSAIF-JKCVZHOFSA-N 2 1 313.445 1.780 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCCC1 ZINC001269604631 841812053 /nfs/dbraw/zinc/81/20/53/841812053.db2.gz GMRJAPWRGRKIGW-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCCC1 ZINC001269604631 841812065 /nfs/dbraw/zinc/81/20/65/841812065.db2.gz GMRJAPWRGRKIGW-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001269604631 841812073 /nfs/dbraw/zinc/81/20/73/841812073.db2.gz GMRJAPWRGRKIGW-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001269604631 841812088 /nfs/dbraw/zinc/81/20/88/841812088.db2.gz GMRJAPWRGRKIGW-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001269738201 841989781 /nfs/dbraw/zinc/98/97/81/841989781.db2.gz YPOHXIGNCBCBJY-QGZVFWFLSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001269971423 842189064 /nfs/dbraw/zinc/18/90/64/842189064.db2.gz GYOWCXVRVJFMQB-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC=C(C)C ZINC001270066629 842266019 /nfs/dbraw/zinc/26/60/19/842266019.db2.gz LZTMFDGCVXOKNX-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC=C(C)C ZINC001270066629 842266025 /nfs/dbraw/zinc/26/60/25/842266025.db2.gz LZTMFDGCVXOKNX-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001270281141 842451829 /nfs/dbraw/zinc/45/18/29/842451829.db2.gz GVSTXFDJQRFDBX-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001270776885 842896311 /nfs/dbraw/zinc/89/63/11/842896311.db2.gz IGRBTZWNRITCLZ-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001270863673 842982068 /nfs/dbraw/zinc/98/20/68/842982068.db2.gz JLMVJRGTNPMMRH-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001326566439 861449620 /nfs/dbraw/zinc/44/96/20/861449620.db2.gz LHZBYIOAJGXPML-BRWVUGGUSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001326566439 861449626 /nfs/dbraw/zinc/44/96/26/861449626.db2.gz LHZBYIOAJGXPML-BRWVUGGUSA-N 2 1 323.481 1.548 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001272533720 846282271 /nfs/dbraw/zinc/28/22/71/846282271.db2.gz IUSOLSJJEBCRLD-MSOLQXFVSA-N 2 1 319.493 1.960 20 30 DDEDMP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001272688627 846624198 /nfs/dbraw/zinc/62/41/98/846624198.db2.gz OSIZRXUBIHCBLX-PBHICJAKSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2cnc[nH]2)cc1 ZINC001272690712 846630212 /nfs/dbraw/zinc/63/02/12/846630212.db2.gz CQTDGQGFSKIVND-AWEZNQCLSA-N 2 1 310.401 1.943 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997003210 847101441 /nfs/dbraw/zinc/10/14/41/847101441.db2.gz YZDGIKMMXNDNMA-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273029795 847810973 /nfs/dbraw/zinc/81/09/73/847810973.db2.gz JFSRFCCSSMIREN-GOSISDBHSA-N 2 1 305.466 1.877 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144075 848563252 /nfs/dbraw/zinc/56/32/52/848563252.db2.gz NZTKXYMIWYCFRR-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144075 848563253 /nfs/dbraw/zinc/56/32/53/848563253.db2.gz NZTKXYMIWYCFRR-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144075 848563255 /nfs/dbraw/zinc/56/32/55/848563255.db2.gz NZTKXYMIWYCFRR-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C[NH+]1CCCCC1)C(=O)N1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001273146380 848579166 /nfs/dbraw/zinc/57/91/66/848579166.db2.gz LATOYDGOJGOXTQ-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841328 861935304 /nfs/dbraw/zinc/93/53/04/861935304.db2.gz COCUPGCNMUHWPI-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841328 861935319 /nfs/dbraw/zinc/93/53/19/861935319.db2.gz COCUPGCNMUHWPI-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841328 861935333 /nfs/dbraw/zinc/93/53/33/861935333.db2.gz COCUPGCNMUHWPI-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841328 861935348 /nfs/dbraw/zinc/93/53/48/861935348.db2.gz COCUPGCNMUHWPI-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149861005 861947828 /nfs/dbraw/zinc/94/78/28/861947828.db2.gz LCCYPUKLYBAEFP-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149861005 861947844 /nfs/dbraw/zinc/94/78/44/861947844.db2.gz LCCYPUKLYBAEFP-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149861005 861947861 /nfs/dbraw/zinc/94/78/61/861947861.db2.gz LCCYPUKLYBAEFP-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881253 861960505 /nfs/dbraw/zinc/96/05/05/861960505.db2.gz JICIVVBBUFEUII-CVEARBPZSA-N 2 1 311.470 1.356 20 30 DDEDMP C[NH+]=C(NCc1cccc(C[NH+]2CCN(C)CC2)c1)NC1CC1 ZINC001327255092 862002318 /nfs/dbraw/zinc/00/23/18/862002318.db2.gz IYHOCQCCOIMDQD-UHFFFAOYSA-N 2 1 315.465 1.261 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241743 862151977 /nfs/dbraw/zinc/15/19/77/862151977.db2.gz REHSYUFLFIDRGN-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP CN(CCC[N@@H+](C)CC#Cc1ccccc1)C(=O)CC[NH+](C)C ZINC001273554091 851089261 /nfs/dbraw/zinc/08/92/61/851089261.db2.gz NZUJLOHNCMRHHH-UHFFFAOYSA-N 2 1 315.461 1.770 20 30 DDEDMP C=CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001273863851 851435705 /nfs/dbraw/zinc/43/57/05/851435705.db2.gz QHXHNBFVFDLHSE-CABCVRRESA-N 2 1 323.481 1.140 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC)CC1 ZINC001274344973 852172354 /nfs/dbraw/zinc/17/23/54/852172354.db2.gz KANJIMINVZPJSB-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC)CC1 ZINC001274344973 852172358 /nfs/dbraw/zinc/17/23/58/852172358.db2.gz KANJIMINVZPJSB-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001274578261 852411256 /nfs/dbraw/zinc/41/12/56/852411256.db2.gz GVQIAKGMILGTNJ-IHWYPQMZSA-N 2 1 323.400 1.525 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150620403 862358937 /nfs/dbraw/zinc/35/89/37/862358937.db2.gz PEIQADWNQYOIDG-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150620403 862358953 /nfs/dbraw/zinc/35/89/53/862358953.db2.gz PEIQADWNQYOIDG-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150620403 862358969 /nfs/dbraw/zinc/35/89/69/862358969.db2.gz PEIQADWNQYOIDG-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001275807241 853796312 /nfs/dbraw/zinc/79/63/12/853796312.db2.gz RGYURPGLPNFMIV-IRXDYDNUSA-N 2 1 323.481 1.549 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001328155485 862733966 /nfs/dbraw/zinc/73/39/66/862733966.db2.gz HSDUFQMBGRERRM-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907355 857871178 /nfs/dbraw/zinc/87/11/78/857871178.db2.gz FWVFQGQLKYQXBT-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907355 857871183 /nfs/dbraw/zinc/87/11/83/857871183.db2.gz FWVFQGQLKYQXBT-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907355 857871192 /nfs/dbraw/zinc/87/11/92/857871192.db2.gz FWVFQGQLKYQXBT-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409731 863018052 /nfs/dbraw/zinc/01/80/52/863018052.db2.gz WIDZHXLFHMSUEX-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001202939579 860417175 /nfs/dbraw/zinc/41/71/75/860417175.db2.gz GEURDYHZXXPUCL-UHFFFAOYSA-N 2 1 323.481 1.646 20 30 DDEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001328620963 863113201 /nfs/dbraw/zinc/11/32/01/863113201.db2.gz DDHRSLMCIKEJTD-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001156517117 863114655 /nfs/dbraw/zinc/11/46/55/863114655.db2.gz MPVIMQFKPZYYFC-MRXNPFEDSA-N 2 1 313.486 1.748 20 30 DDEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156517117 863114658 /nfs/dbraw/zinc/11/46/58/863114658.db2.gz MPVIMQFKPZYYFC-MRXNPFEDSA-N 2 1 313.486 1.748 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001156517117 863114666 /nfs/dbraw/zinc/11/46/66/863114666.db2.gz MPVIMQFKPZYYFC-MRXNPFEDSA-N 2 1 313.486 1.748 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153320353 863824121 /nfs/dbraw/zinc/82/41/21/863824121.db2.gz NOIKAJPLOSQFKE-UHFFFAOYSA-N 2 1 305.422 1.027 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153320353 863824127 /nfs/dbraw/zinc/82/41/27/863824127.db2.gz NOIKAJPLOSQFKE-UHFFFAOYSA-N 2 1 305.422 1.027 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001153802946 864117518 /nfs/dbraw/zinc/11/75/18/864117518.db2.gz OAICOJPFJOCLDZ-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001153802946 864117522 /nfs/dbraw/zinc/11/75/22/864117522.db2.gz OAICOJPFJOCLDZ-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001153802946 864117526 /nfs/dbraw/zinc/11/75/26/864117526.db2.gz OAICOJPFJOCLDZ-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001330952923 864731758 /nfs/dbraw/zinc/73/17/58/864731758.db2.gz AIKPGAAWUGERAF-KGLIPLIRSA-N 2 1 301.862 1.955 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001158893735 864959860 /nfs/dbraw/zinc/95/98/60/864959860.db2.gz AGPFZZKYLGENFH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001158893735 864959862 /nfs/dbraw/zinc/95/98/62/864959862.db2.gz AGPFZZKYLGENFH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158893735 864959865 /nfs/dbraw/zinc/95/98/65/864959865.db2.gz AGPFZZKYLGENFH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158893735 864959868 /nfs/dbraw/zinc/95/98/68/864959868.db2.gz AGPFZZKYLGENFH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869287 865575033 /nfs/dbraw/zinc/57/50/33/865575033.db2.gz YACDOBAZMJIKDB-MRXNPFEDSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008556 866266896 /nfs/dbraw/zinc/26/68/96/866266896.db2.gz QNLMPYPCDWMEMO-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008556 866266910 /nfs/dbraw/zinc/26/69/10/866266910.db2.gz QNLMPYPCDWMEMO-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008556 866266925 /nfs/dbraw/zinc/26/69/25/866266925.db2.gz QNLMPYPCDWMEMO-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001161027893 866290534 /nfs/dbraw/zinc/29/05/34/866290534.db2.gz AECPRZDVQOJEDT-UHFFFAOYSA-N 2 1 315.417 1.726 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001319942309 866394712 /nfs/dbraw/zinc/39/47/12/866394712.db2.gz CCTLYMVDEGLUGO-WBVHZDCISA-N 2 1 316.449 1.508 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001324065818 867046336 /nfs/dbraw/zinc/04/63/36/867046336.db2.gz BAUBVEJGMBPOTC-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001161908585 867089939 /nfs/dbraw/zinc/08/99/39/867089939.db2.gz PCSJTZGVJWOCRD-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161908585 867089954 /nfs/dbraw/zinc/08/99/54/867089954.db2.gz PCSJTZGVJWOCRD-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161908585 867089967 /nfs/dbraw/zinc/08/99/67/867089967.db2.gz PCSJTZGVJWOCRD-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161908585 867089985 /nfs/dbraw/zinc/08/99/85/867089985.db2.gz PCSJTZGVJWOCRD-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001324726842 867478852 /nfs/dbraw/zinc/47/88/52/867478852.db2.gz DKIOOBBOXYBTFC-MAUKXSAKSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001324726841 867478878 /nfs/dbraw/zinc/47/88/78/867478878.db2.gz DKIOOBBOXYBTFC-CRAIPNDOSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001324726844 867479412 /nfs/dbraw/zinc/47/94/12/867479412.db2.gz DKIOOBBOXYBTFC-YJBOKZPZSA-N 2 1 316.449 1.858 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001322230751 868064702 /nfs/dbraw/zinc/06/47/02/868064702.db2.gz NIBKIIRERZDAQA-DZGCQCFKSA-N 2 1 304.438 1.767 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001322230751 868064715 /nfs/dbraw/zinc/06/47/15/868064715.db2.gz NIBKIIRERZDAQA-DZGCQCFKSA-N 2 1 304.438 1.767 20 30 DDEDMP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001322307992 868108360 /nfs/dbraw/zinc/10/83/60/868108360.db2.gz UZRXYUFPTIBHFF-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001322307992 868108372 /nfs/dbraw/zinc/10/83/72/868108372.db2.gz UZRXYUFPTIBHFF-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001325753997 868325990 /nfs/dbraw/zinc/32/59/90/868325990.db2.gz PENWPTZENMWVKL-OIISXLGYSA-N 2 1 316.449 1.936 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001325753997 868326005 /nfs/dbraw/zinc/32/60/05/868326005.db2.gz PENWPTZENMWVKL-OIISXLGYSA-N 2 1 316.449 1.936 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001226160516 882239456 /nfs/dbraw/zinc/23/94/56/882239456.db2.gz IKGXLRGAWYRXOB-ZACQAIPSSA-N 2 1 305.466 1.900 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC001336785901 869141193 /nfs/dbraw/zinc/14/11/93/869141193.db2.gz VBYOHOHFQUWRCX-KRWDZBQOSA-N 2 1 308.466 1.367 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCF)CC1 ZINC001165545948 869636119 /nfs/dbraw/zinc/63/61/19/869636119.db2.gz UIXOPBKJUWJNLZ-HNNXBMFYSA-N 2 1 309.429 1.320 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCF)CC1 ZINC001165545948 869636121 /nfs/dbraw/zinc/63/61/21/869636121.db2.gz UIXOPBKJUWJNLZ-HNNXBMFYSA-N 2 1 309.429 1.320 20 30 DDEDMP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001317218750 870488727 /nfs/dbraw/zinc/48/87/27/870488727.db2.gz VSHDAIBZSDHQLR-OFLPRAFFSA-N 2 1 305.466 1.900 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=C)Cl)C1 ZINC001317326739 870649265 /nfs/dbraw/zinc/64/92/65/870649265.db2.gz RGQRBAQIEQQKTO-CABCVRRESA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=C)Cl)C1 ZINC001317326739 870649272 /nfs/dbraw/zinc/64/92/72/870649272.db2.gz RGQRBAQIEQQKTO-CABCVRRESA-N 2 1 309.841 1.275 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317337290 870667202 /nfs/dbraw/zinc/66/72/02/870667202.db2.gz KSFPKYCHNFCJIF-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001317787189 871501427 /nfs/dbraw/zinc/50/14/27/871501427.db2.gz DCOIXAZPLRJHEI-CVEARBPZSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317800786 871524908 /nfs/dbraw/zinc/52/49/08/871524908.db2.gz KNJBZHHZIYQJGZ-CRAIPNDOSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317800786 871524926 /nfs/dbraw/zinc/52/49/26/871524926.db2.gz KNJBZHHZIYQJGZ-CRAIPNDOSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317800786 871524947 /nfs/dbraw/zinc/52/49/47/871524947.db2.gz KNJBZHHZIYQJGZ-CRAIPNDOSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317841891 871579661 /nfs/dbraw/zinc/57/96/61/871579661.db2.gz IPNHVUYGKMGHDG-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317841891 871579666 /nfs/dbraw/zinc/57/96/66/871579666.db2.gz IPNHVUYGKMGHDG-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317841891 871579670 /nfs/dbraw/zinc/57/96/70/871579670.db2.gz IPNHVUYGKMGHDG-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001317943136 871641490 /nfs/dbraw/zinc/64/14/90/871641490.db2.gz AWIQLXHOKVKWTK-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001317943136 871641495 /nfs/dbraw/zinc/64/14/95/871641495.db2.gz AWIQLXHOKVKWTK-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC001341768265 871816677 /nfs/dbraw/zinc/81/66/77/871816677.db2.gz REPNGKKCUPCBNX-CVEARBPZSA-N 2 1 305.397 1.982 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)CC(C)(C)C1 ZINC001316810801 871923076 /nfs/dbraw/zinc/92/30/76/871923076.db2.gz IVTOEDPTRFTIEH-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001316810801 871923081 /nfs/dbraw/zinc/92/30/81/871923081.db2.gz IVTOEDPTRFTIEH-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001316810801 871923094 /nfs/dbraw/zinc/92/30/94/871923094.db2.gz IVTOEDPTRFTIEH-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001316747515 871991722 /nfs/dbraw/zinc/99/17/22/871991722.db2.gz WLCRGJWGYQPQDA-IAGOWNOFSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001316747515 871991731 /nfs/dbraw/zinc/99/17/31/871991731.db2.gz WLCRGJWGYQPQDA-IAGOWNOFSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001316747515 871991740 /nfs/dbraw/zinc/99/17/40/871991740.db2.gz WLCRGJWGYQPQDA-IAGOWNOFSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206482287 872367414 /nfs/dbraw/zinc/36/74/14/872367414.db2.gz RQZXOVDOCCZVCJ-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001226860064 882692220 /nfs/dbraw/zinc/69/22/20/882692220.db2.gz HUWVLVIELFWVHQ-ZACQAIPSSA-N 2 1 301.434 1.124 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001226860064 882692225 /nfs/dbraw/zinc/69/22/25/882692225.db2.gz HUWVLVIELFWVHQ-ZACQAIPSSA-N 2 1 301.434 1.124 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001378856683 875782644 /nfs/dbraw/zinc/78/26/44/875782644.db2.gz JLRQOPPGSSZPTI-OAHLLOKOSA-N 2 1 316.449 1.835 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001227464916 883030296 /nfs/dbraw/zinc/03/02/96/883030296.db2.gz VOSIPCARYCGHMV-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(=C)C)C1 ZINC001214879083 876491911 /nfs/dbraw/zinc/49/19/11/876491911.db2.gz OBGOKKIPYKEUTJ-ZACQAIPSSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(=C)C)C1 ZINC001214879083 876491916 /nfs/dbraw/zinc/49/19/16/876491916.db2.gz OBGOKKIPYKEUTJ-ZACQAIPSSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539896 876745454 /nfs/dbraw/zinc/74/54/54/876745454.db2.gz BVZWJHNFRTVFOJ-IIDMSEBBSA-N 2 1 323.456 1.659 20 30 DDEDMP N#Cc1cccc(C(F)(F)F)c1NC(=O)C[NH2+]CCC[NH3+] ZINC001218953068 877825588 /nfs/dbraw/zinc/82/55/88/877825588.db2.gz GWGFJPGLXNDUEO-UHFFFAOYSA-N 2 1 300.284 1.454 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004502 877867733 /nfs/dbraw/zinc/86/77/33/877867733.db2.gz LXQKIKKTESMJBZ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004502 877867747 /nfs/dbraw/zinc/86/77/47/877867747.db2.gz LXQKIKKTESMJBZ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004502 877867763 /nfs/dbraw/zinc/86/77/63/877867763.db2.gz LXQKIKKTESMJBZ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C[N@H+]1CCCN(CCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC001356583573 879113732 /nfs/dbraw/zinc/11/37/32/879113732.db2.gz JLLWDKMSDVTLOQ-SFHVURJKSA-N 2 1 316.449 1.209 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001357269077 879884391 /nfs/dbraw/zinc/88/43/91/879884391.db2.gz OTXODSIUDFVMJQ-NUEKZKHPSA-N 2 1 306.454 1.276 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001222682508 880648916 /nfs/dbraw/zinc/64/89/16/880648916.db2.gz VPNXYTRNPCUHSD-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682508 880648921 /nfs/dbraw/zinc/64/89/21/880648921.db2.gz VPNXYTRNPCUHSD-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC#CC[NH+](C)C ZINC001229404071 883964226 /nfs/dbraw/zinc/96/42/26/883964226.db2.gz PAIGLBKKNRYXGU-MRXNPFEDSA-N 2 1 316.449 1.371 20 30 DDEDMP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230717170 884792867 /nfs/dbraw/zinc/79/28/67/884792867.db2.gz SLBCOMOJVJTYBR-KRWDZBQOSA-N 2 1 316.449 1.670 20 30 DDEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717170 884792882 /nfs/dbraw/zinc/79/28/82/884792882.db2.gz SLBCOMOJVJTYBR-KRWDZBQOSA-N 2 1 316.449 1.670 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717170 884792894 /nfs/dbraw/zinc/79/28/94/884792894.db2.gz SLBCOMOJVJTYBR-KRWDZBQOSA-N 2 1 316.449 1.670 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277779067 886855057 /nfs/dbraw/zinc/85/50/57/886855057.db2.gz BPPUVABGOFKSHY-MAUKXSAKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001281613137 886871624 /nfs/dbraw/zinc/87/16/24/886871624.db2.gz NSPUOPKXLPTIFT-INIZCTEOSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CC[NH2+]CCN1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001235634180 888825899 /nfs/dbraw/zinc/82/58/99/888825899.db2.gz BEYDCTLIVDYDQH-QZTJIDSGSA-N 2 1 307.482 1.585 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001278333202 891229877 /nfs/dbraw/zinc/22/98/77/891229877.db2.gz CZRUKEZEQMMCLK-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001278333202 891229892 /nfs/dbraw/zinc/22/98/92/891229892.db2.gz CZRUKEZEQMMCLK-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246063472 892395617 /nfs/dbraw/zinc/39/56/17/892395617.db2.gz OKOPNKHZVBUTST-PMPSAXMXSA-N 2 1 314.470 1.920 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC001246907590 892980987 /nfs/dbraw/zinc/98/09/87/892980987.db2.gz FGFODUPDOGXFSG-QGZVFWFLSA-N 2 1 312.417 1.586 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C[NH3+])CC2)cc1 ZINC001246907590 892980992 /nfs/dbraw/zinc/98/09/92/892980992.db2.gz FGFODUPDOGXFSG-QGZVFWFLSA-N 2 1 312.417 1.586 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366290538 893043998 /nfs/dbraw/zinc/04/39/98/893043998.db2.gz FLLKDAFIHQGGQM-YOEHRIQHSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001278821119 896644420 /nfs/dbraw/zinc/64/44/20/896644420.db2.gz IKMHYTQOGLOERC-YOEHRIQHSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001278821119 896644428 /nfs/dbraw/zinc/64/44/28/896644428.db2.gz IKMHYTQOGLOERC-YOEHRIQHSA-N 2 1 320.437 1.099 20 30 DDEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001278878439 897076474 /nfs/dbraw/zinc/07/64/74/897076474.db2.gz OGKOCFXMPHYJIM-IAGOWNOFSA-N 2 1 323.481 1.024 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001278878439 897076486 /nfs/dbraw/zinc/07/64/86/897076486.db2.gz OGKOCFXMPHYJIM-IAGOWNOFSA-N 2 1 323.481 1.024 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001278878439 897076497 /nfs/dbraw/zinc/07/64/97/897076497.db2.gz OGKOCFXMPHYJIM-IAGOWNOFSA-N 2 1 323.481 1.024 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367725182 897592091 /nfs/dbraw/zinc/59/20/91/897592091.db2.gz LVRHYFMHCSYTJW-LRDDRELGSA-N 2 1 318.396 1.386 20 30 DDEDMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367752540 897673636 /nfs/dbraw/zinc/67/36/36/897673636.db2.gz VSWHICNWHWZWGE-RYUDHWBXSA-N 2 1 318.259 1.474 20 30 DDEDMP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cc(C#N)ccc1F ZINC001390962094 900594884 /nfs/dbraw/zinc/59/48/84/900594884.db2.gz QHZNGJFXDLHRLK-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1cc(C#N)ccc1F ZINC001390962094 900594894 /nfs/dbraw/zinc/59/48/94/900594894.db2.gz QHZNGJFXDLHRLK-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001263851745 900767305 /nfs/dbraw/zinc/76/73/05/900767305.db2.gz UESNTVXNNWMNLM-BPQIPLTHSA-N 2 1 313.445 1.797 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001264004717 900868790 /nfs/dbraw/zinc/86/87/90/900868790.db2.gz BAKLADLXWGREQC-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001264164994 900990471 /nfs/dbraw/zinc/99/04/71/900990471.db2.gz VKPOBXDOEAIMJS-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001264164994 900990479 /nfs/dbraw/zinc/99/04/79/900990479.db2.gz VKPOBXDOEAIMJS-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCCC)C1 ZINC001265543831 902115515 /nfs/dbraw/zinc/11/55/15/902115515.db2.gz SHFANTQUSZCKNI-BBWFWOEESA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCCC)C1 ZINC001265543831 902115527 /nfs/dbraw/zinc/11/55/27/902115527.db2.gz SHFANTQUSZCKNI-BBWFWOEESA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001265647079 902247515 /nfs/dbraw/zinc/24/75/15/902247515.db2.gz KKDGLBKMZZINAY-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001265675329 902289045 /nfs/dbraw/zinc/28/90/45/902289045.db2.gz GETLEUCFRLGOEN-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265707835 902324982 /nfs/dbraw/zinc/32/49/82/902324982.db2.gz GJVDPZJXEWGWLD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001265846297 902484002 /nfs/dbraw/zinc/48/40/02/902484002.db2.gz KVJMZLWNCLXJRR-AWEZNQCLSA-N 2 1 313.405 1.941 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266206893 903109338 /nfs/dbraw/zinc/10/93/38/903109338.db2.gz BSCQMVKGVTUNIU-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266206893 903109346 /nfs/dbraw/zinc/10/93/46/903109346.db2.gz BSCQMVKGVTUNIU-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266206893 903109352 /nfs/dbraw/zinc/10/93/52/903109352.db2.gz BSCQMVKGVTUNIU-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266206893 903109360 /nfs/dbraw/zinc/10/93/60/903109360.db2.gz BSCQMVKGVTUNIU-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001280777276 904019590 /nfs/dbraw/zinc/01/95/90/904019590.db2.gz PUDVDUQRNHHZOS-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC#Cc1ccccc1 ZINC001282494029 905825665 /nfs/dbraw/zinc/82/56/65/905825665.db2.gz LAZJPSNYVKREIF-KRWDZBQOSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001282873153 906135964 /nfs/dbraw/zinc/13/59/64/906135964.db2.gz GUACYZHKOGERLS-VQHPVUNQSA-N 2 1 319.493 1.977 20 30 DDEDMP CC[C@H](C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001372008015 906229204 /nfs/dbraw/zinc/22/92/04/906229204.db2.gz GZYPTPUKUKQYGL-MRXNPFEDSA-N 2 1 302.422 1.446 20 30 DDEDMP C=CCOCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001282978244 906386335 /nfs/dbraw/zinc/38/63/35/906386335.db2.gz URASKYQBTAFXBD-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001282978244 906386351 /nfs/dbraw/zinc/38/63/51/906386351.db2.gz URASKYQBTAFXBD-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001282978244 906386367 /nfs/dbraw/zinc/38/63/67/906386367.db2.gz URASKYQBTAFXBD-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001283612456 907678384 /nfs/dbraw/zinc/67/83/84/907678384.db2.gz QNXKONVWYMGUBZ-HUUCEWRRSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001284228598 908691288 /nfs/dbraw/zinc/69/12/88/908691288.db2.gz VXFUFIZWLXLETI-IRXDYDNUSA-N 2 1 316.449 1.870 20 30 DDEDMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001397249838 915557043 /nfs/dbraw/zinc/55/70/43/915557043.db2.gz DMQBSWOKVCFMAM-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001397249838 915557054 /nfs/dbraw/zinc/55/70/54/915557054.db2.gz DMQBSWOKVCFMAM-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079917728 353582677 /nfs/dbraw/zinc/58/26/77/353582677.db2.gz OCRDNBJIMWZTEN-NVXWUHKLSA-N 2 1 318.465 1.633 20 30 DDEDMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C#N ZINC000599338944 357900861 /nfs/dbraw/zinc/90/08/61/357900861.db2.gz XVCCXXNYKCACMK-UHFFFAOYSA-N 2 1 300.450 1.936 20 30 DDEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432158 357933822 /nfs/dbraw/zinc/93/38/22/357933822.db2.gz KCHUNJJDYAPFHK-SJLPKXTDSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432158 357933823 /nfs/dbraw/zinc/93/38/23/357933823.db2.gz KCHUNJJDYAPFHK-SJLPKXTDSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432158 357933824 /nfs/dbraw/zinc/93/38/24/357933824.db2.gz KCHUNJJDYAPFHK-SJLPKXTDSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCN(CCCC[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602007771 358775100 /nfs/dbraw/zinc/77/51/00/358775100.db2.gz XKTREFMWZUYDFJ-UHFFFAOYSA-N 2 1 304.413 1.815 20 30 DDEDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000610946895 360579987 /nfs/dbraw/zinc/57/99/87/360579987.db2.gz WSRVBEHEJWBLIJ-UHFFFAOYSA-N 2 1 304.413 1.815 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000171907819 407792938 /nfs/dbraw/zinc/79/29/38/407792938.db2.gz IQWIHTOJQPKOGP-MRXNPFEDSA-N 2 1 324.469 1.047 20 30 DDEDMP C[NH+]=C(NCc1c(C)noc1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158402777 408339871 /nfs/dbraw/zinc/33/98/71/408339871.db2.gz SFEWPXKEOGKXGP-NHYWBVRUSA-N 2 1 307.442 1.685 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(C)cc(C)c1 ZINC000282518855 409056975 /nfs/dbraw/zinc/05/69/75/409056975.db2.gz GHHICAUUBAHSOV-IRXDYDNUSA-N 2 1 318.465 1.725 20 30 DDEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C12CCC2 ZINC000304790423 409645171 /nfs/dbraw/zinc/64/51/71/409645171.db2.gz KIOQXNRNXYWYON-QLFBSQMISA-N 2 1 308.470 1.723 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354675558 410008131 /nfs/dbraw/zinc/00/81/31/410008131.db2.gz QVPWPZIDLULODV-MRXNPFEDSA-N 2 1 308.470 1.945 20 30 DDEDMP O=C(NC[C@@H]1CCCn2ccnc21)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000328963184 410022697 /nfs/dbraw/zinc/02/26/97/410022697.db2.gz RESDNPOYKOMQHF-KBPBESRZSA-N 2 1 303.410 1.107 20 30 DDEDMP C[NH+]=C(NC1C(C)(C)C1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261715423 222255695 /nfs/dbraw/zinc/25/56/95/222255695.db2.gz KJGJKFSEQBPMLY-AWEZNQCLSA-N 2 1 322.497 1.651 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn2c(n1)CCCC2 ZINC000264234582 222329517 /nfs/dbraw/zinc/32/95/17/222329517.db2.gz DBCSDMKCHSJNSC-AWEZNQCLSA-N 3 1 304.442 1.108 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000264057979 222311527 /nfs/dbraw/zinc/31/15/27/222311527.db2.gz BPYNATUNZUANSW-CYBMUJFWSA-N 2 1 305.382 1.483 20 30 DDEDMP Cn1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N ZINC000368052025 418680030 /nfs/dbraw/zinc/68/00/30/418680030.db2.gz SDOCGEBJGZYBSP-KRWDZBQOSA-N 2 1 315.465 1.497 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000424178607 228241951 /nfs/dbraw/zinc/24/19/51/228241951.db2.gz RMBOMZZLMKZKBW-CABCVRRESA-N 2 1 304.369 1.320 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000429263182 419993738 /nfs/dbraw/zinc/99/37/38/419993738.db2.gz WYPIOEYWIANMGC-HNNXBMFYSA-N 2 1 319.453 1.918 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000429263182 419993743 /nfs/dbraw/zinc/99/37/43/419993743.db2.gz WYPIOEYWIANMGC-HNNXBMFYSA-N 2 1 319.453 1.918 20 30 DDEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471868117 420954641 /nfs/dbraw/zinc/95/46/41/420954641.db2.gz DDGBXZIOVCRFPH-ZWKOTPCHSA-N 2 1 315.461 1.961 20 30 DDEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471868117 420954646 /nfs/dbraw/zinc/95/46/46/420954646.db2.gz DDGBXZIOVCRFPH-ZWKOTPCHSA-N 2 1 315.461 1.961 20 30 DDEDMP N#Cc1ccc2ncc(CNC[C@@H]3C[N@H+]4CCC[C@H]4CO3)n2c1 ZINC000369480620 268224752 /nfs/dbraw/zinc/22/47/52/268224752.db2.gz QBYYAFJSFFGRGH-GOEBONIOSA-N 2 1 311.389 1.159 20 30 DDEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CN4CCC[C@H]4CO3)n2c1 ZINC000369480620 268224754 /nfs/dbraw/zinc/22/47/54/268224754.db2.gz QBYYAFJSFFGRGH-GOEBONIOSA-N 2 1 311.389 1.159 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262513060 279303483 /nfs/dbraw/zinc/30/34/83/279303483.db2.gz DVZFWNPZOZBPRQ-BARDWOONSA-N 2 1 308.470 1.579 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000490680352 526917285 /nfs/dbraw/zinc/91/72/85/526917285.db2.gz ZKAAQKDTPOFYIQ-WBVHZDCISA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980240637 696716728 /nfs/dbraw/zinc/71/67/28/696716728.db2.gz PZWWCCNQKNQJTA-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980240637 696716729 /nfs/dbraw/zinc/71/67/29/696716729.db2.gz PZWWCCNQKNQJTA-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294991 695208722 /nfs/dbraw/zinc/20/87/22/695208722.db2.gz PXNDUEKYVVCGQS-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294991 695208725 /nfs/dbraw/zinc/20/87/25/695208725.db2.gz PXNDUEKYVVCGQS-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294991 695208726 /nfs/dbraw/zinc/20/87/26/695208726.db2.gz PXNDUEKYVVCGQS-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409530 695242676 /nfs/dbraw/zinc/24/26/76/695242676.db2.gz POQWNYHQJNLIBV-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972414053 695243115 /nfs/dbraw/zinc/24/31/15/695243115.db2.gz SUWANIHWXOGARQ-AEFFLSMTSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972623094 695301795 /nfs/dbraw/zinc/30/17/95/695301795.db2.gz QBKINRBVIZCMDP-MRXNPFEDSA-N 2 1 309.373 1.047 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972623094 695301798 /nfs/dbraw/zinc/30/17/98/695301798.db2.gz QBKINRBVIZCMDP-MRXNPFEDSA-N 2 1 309.373 1.047 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974578517 695689350 /nfs/dbraw/zinc/68/93/50/695689350.db2.gz PWVVSYMIRKSPMY-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974578517 695689352 /nfs/dbraw/zinc/68/93/52/695689352.db2.gz PWVVSYMIRKSPMY-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586155 695691119 /nfs/dbraw/zinc/69/11/19/695691119.db2.gz JJNVSUSLSUPFJU-HOTGVXAUSA-N 2 1 303.450 1.178 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974648608 695703759 /nfs/dbraw/zinc/70/37/59/695703759.db2.gz DNJFZJFSEHGONY-CVEARBPZSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974648608 695703760 /nfs/dbraw/zinc/70/37/60/695703760.db2.gz DNJFZJFSEHGONY-CVEARBPZSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974648608 695703761 /nfs/dbraw/zinc/70/37/61/695703761.db2.gz DNJFZJFSEHGONY-CVEARBPZSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974657507 695705439 /nfs/dbraw/zinc/70/54/39/695705439.db2.gz OUIPHNAIQAINAO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974657507 695705442 /nfs/dbraw/zinc/70/54/42/695705442.db2.gz OUIPHNAIQAINAO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974657507 695705444 /nfs/dbraw/zinc/70/54/44/695705444.db2.gz OUIPHNAIQAINAO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974681847 695710612 /nfs/dbraw/zinc/71/06/12/695710612.db2.gz MJHPMYVYGMFTHO-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974681847 695710616 /nfs/dbraw/zinc/71/06/16/695710616.db2.gz MJHPMYVYGMFTHO-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681847 695710617 /nfs/dbraw/zinc/71/06/17/695710617.db2.gz MJHPMYVYGMFTHO-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681847 695710619 /nfs/dbraw/zinc/71/06/19/695710619.db2.gz MJHPMYVYGMFTHO-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974829744 695745039 /nfs/dbraw/zinc/74/50/39/695745039.db2.gz RTBDQPNEMYPEMJ-MRXNPFEDSA-N 2 1 310.401 1.798 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974844217 695747268 /nfs/dbraw/zinc/74/72/68/695747268.db2.gz QPEYLQGCCZKALX-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974844217 695747270 /nfs/dbraw/zinc/74/72/70/695747270.db2.gz QPEYLQGCCZKALX-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980181918 696702412 /nfs/dbraw/zinc/70/24/12/696702412.db2.gz BIIBZEANJMGAAC-OKZBNKHCSA-N 2 1 317.477 1.568 20 30 DDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000126014093 696758090 /nfs/dbraw/zinc/75/80/90/696758090.db2.gz PVZYEQWECFHTOH-MRXNPFEDSA-N 2 1 309.502 1.451 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981812636 696926430 /nfs/dbraw/zinc/92/64/30/696926430.db2.gz RKBKIVZSELHZPJ-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981865455 696947562 /nfs/dbraw/zinc/94/75/62/696947562.db2.gz SBSOTDKDPIFHNN-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981959076 696985811 /nfs/dbraw/zinc/98/58/11/696985811.db2.gz YAPAYEGDCCWCDK-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959076 696985813 /nfs/dbraw/zinc/98/58/13/696985813.db2.gz YAPAYEGDCCWCDK-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959076 696985815 /nfs/dbraw/zinc/98/58/15/696985815.db2.gz YAPAYEGDCCWCDK-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013497 697003420 /nfs/dbraw/zinc/00/34/20/697003420.db2.gz UKQSRGHXTQNYTI-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013497 697003421 /nfs/dbraw/zinc/00/34/21/697003421.db2.gz UKQSRGHXTQNYTI-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013497 697003424 /nfs/dbraw/zinc/00/34/24/697003424.db2.gz UKQSRGHXTQNYTI-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](CC)OC)CC1 ZINC000981365192 697076606 /nfs/dbraw/zinc/07/66/06/697076606.db2.gz JVERJWYUPHFRAO-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](CC)OC)CC1 ZINC000981365192 697076608 /nfs/dbraw/zinc/07/66/08/697076608.db2.gz JVERJWYUPHFRAO-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](CC)OC)CC1 ZINC000981365192 697076610 /nfs/dbraw/zinc/07/66/10/697076610.db2.gz JVERJWYUPHFRAO-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](CC)OC)CC1 ZINC000981365192 697076616 /nfs/dbraw/zinc/07/66/16/697076616.db2.gz JVERJWYUPHFRAO-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300373 697087192 /nfs/dbraw/zinc/08/71/92/697087192.db2.gz XGVPHFGQACKPOI-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300373 697087194 /nfs/dbraw/zinc/08/71/94/697087194.db2.gz XGVPHFGQACKPOI-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300373 697087196 /nfs/dbraw/zinc/08/71/96/697087196.db2.gz XGVPHFGQACKPOI-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000981490737 697110975 /nfs/dbraw/zinc/11/09/75/697110975.db2.gz NCMSBPBGQZDKFO-OAHLLOKOSA-N 2 1 316.449 1.933 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000981490737 697110976 /nfs/dbraw/zinc/11/09/76/697110976.db2.gz NCMSBPBGQZDKFO-OAHLLOKOSA-N 2 1 316.449 1.933 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982519632 697143908 /nfs/dbraw/zinc/14/39/08/697143908.db2.gz GOMGFPBLPSRXAC-NXHRZFHOSA-N 2 1 305.466 1.376 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000985539231 697527154 /nfs/dbraw/zinc/52/71/54/697527154.db2.gz ICRPSMVRCSCQPF-UHFFFAOYSA-N 2 1 310.829 1.867 20 30 DDEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000985539231 697527155 /nfs/dbraw/zinc/52/71/55/697527155.db2.gz ICRPSMVRCSCQPF-UHFFFAOYSA-N 2 1 310.829 1.867 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261616577 698429608 /nfs/dbraw/zinc/42/96/08/698429608.db2.gz AVMZWMWIEDZKIX-HOTGVXAUSA-N 2 1 322.497 1.652 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303267832 698604748 /nfs/dbraw/zinc/60/47/48/698604748.db2.gz XVDCLXIDPRITIT-AWEZNQCLSA-N 2 1 304.438 1.722 20 30 DDEDMP C[NH+](C)[C@H](CNC(=[NH2+])N1CCSCC1)Cc1ccccc1 ZINC000303789765 698607199 /nfs/dbraw/zinc/60/71/99/698607199.db2.gz VSKMFIIMSLYICP-HNNXBMFYSA-N 2 1 306.479 1.523 20 30 DDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000303873222 698608563 /nfs/dbraw/zinc/60/85/63/698608563.db2.gz CJBDSEONEDVHTP-INIZCTEOSA-N 2 1 309.502 1.451 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(F)ccc1F ZINC000304504038 698622109 /nfs/dbraw/zinc/62/21/09/698622109.db2.gz QHEZURBFTRWIKT-CQSZACIVSA-N 2 1 310.392 1.896 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990685107 699131588 /nfs/dbraw/zinc/13/15/88/699131588.db2.gz MHMVOOKNYICQIS-ZHALLVOQSA-N 2 1 315.461 1.465 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358970 699305804 /nfs/dbraw/zinc/30/58/04/699305804.db2.gz KGNBXVAOCGXLDN-PNBKFKSVSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358970 699305807 /nfs/dbraw/zinc/30/58/07/699305807.db2.gz KGNBXVAOCGXLDN-PNBKFKSVSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358970 699305809 /nfs/dbraw/zinc/30/58/09/699305809.db2.gz KGNBXVAOCGXLDN-PNBKFKSVSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358970 699305812 /nfs/dbraw/zinc/30/58/12/699305812.db2.gz KGNBXVAOCGXLDN-PNBKFKSVSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000848981536 703606396 /nfs/dbraw/zinc/60/63/96/703606396.db2.gz OMGOGXBVBGWOLO-CYBMUJFWSA-N 2 1 307.467 1.337 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000877022640 705961971 /nfs/dbraw/zinc/96/19/71/705961971.db2.gz OXKGROCUXOMACG-BZUAXINKSA-N 2 1 307.438 1.538 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000877022640 705961972 /nfs/dbraw/zinc/96/19/72/705961972.db2.gz OXKGROCUXOMACG-BZUAXINKSA-N 2 1 307.438 1.538 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000836346289 707443810 /nfs/dbraw/zinc/44/38/10/707443810.db2.gz QDTXIKOKOWFUAU-AEFFLSMTSA-N 2 1 322.497 1.751 20 30 DDEDMP C[N@@H+](CCc1cccc(C#N)c1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903938112 711342432 /nfs/dbraw/zinc/34/24/32/711342432.db2.gz ZVGBQJRTRSERCP-QGZVFWFLSA-N 2 1 324.432 1.749 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000896490406 711732422 /nfs/dbraw/zinc/73/24/22/711732422.db2.gz SSZSHGUHUKWTEL-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000896490406 711732423 /nfs/dbraw/zinc/73/24/23/711732423.db2.gz SSZSHGUHUKWTEL-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000896490406 711732424 /nfs/dbraw/zinc/73/24/24/711732424.db2.gz SSZSHGUHUKWTEL-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000896490406 711732425 /nfs/dbraw/zinc/73/24/25/711732425.db2.gz SSZSHGUHUKWTEL-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@@]2(C)C1 ZINC000931316763 714064583 /nfs/dbraw/zinc/06/45/83/714064583.db2.gz KBKWBOKKJXWKJZ-GVDBMIGSSA-N 2 1 321.465 1.331 20 30 DDEDMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931316764 714064710 /nfs/dbraw/zinc/06/47/10/714064710.db2.gz KBKWBOKKJXWKJZ-YESZJQIVSA-N 2 1 321.465 1.331 20 30 DDEDMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931316764 714064713 /nfs/dbraw/zinc/06/47/13/714064713.db2.gz KBKWBOKKJXWKJZ-YESZJQIVSA-N 2 1 321.465 1.331 20 30 DDEDMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931316764 714064715 /nfs/dbraw/zinc/06/47/15/714064715.db2.gz KBKWBOKKJXWKJZ-YESZJQIVSA-N 2 1 321.465 1.331 20 30 DDEDMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931316764 714064720 /nfs/dbraw/zinc/06/47/20/714064720.db2.gz KBKWBOKKJXWKJZ-YESZJQIVSA-N 2 1 321.465 1.331 20 30 DDEDMP C#CCN(C(=O)N[C@@H](C)C[N@H+](CC)CCC)C1CC[NH+](C)CC1 ZINC000922550840 714086218 /nfs/dbraw/zinc/08/62/18/714086218.db2.gz VPIFHUSCRFTNOP-INIZCTEOSA-N 2 1 322.497 1.846 20 30 DDEDMP CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923334958 714318995 /nfs/dbraw/zinc/31/89/95/714318995.db2.gz HPTOJCKFLIUSNP-DLBZAZTESA-N 2 1 317.433 1.762 20 30 DDEDMP C#CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000932388475 714321534 /nfs/dbraw/zinc/32/15/34/714321534.db2.gz LIRASMVXWCRFMP-QGZVFWFLSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000932388475 714321537 /nfs/dbraw/zinc/32/15/37/714321537.db2.gz LIRASMVXWCRFMP-QGZVFWFLSA-N 2 1 301.434 1.749 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413857 714348233 /nfs/dbraw/zinc/34/82/33/714348233.db2.gz IHVBTCIYKGSCFQ-ZACQAIPSSA-N 2 1 315.417 1.372 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000923413857 714348234 /nfs/dbraw/zinc/34/82/34/714348234.db2.gz IHVBTCIYKGSCFQ-ZACQAIPSSA-N 2 1 315.417 1.372 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923428428 714352841 /nfs/dbraw/zinc/35/28/41/714352841.db2.gz YYQJNDWFQMZNNQ-INIZCTEOSA-N 2 1 315.417 1.516 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923428428 714352843 /nfs/dbraw/zinc/35/28/43/714352843.db2.gz YYQJNDWFQMZNNQ-INIZCTEOSA-N 2 1 315.417 1.516 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000923429940 714353137 /nfs/dbraw/zinc/35/31/37/714353137.db2.gz BXIYNGCTYLIJFV-BMFZPTHFSA-N 2 1 303.406 1.215 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000923449748 714359674 /nfs/dbraw/zinc/35/96/74/714359674.db2.gz BUOZRDJTVNSDLN-QGZVFWFLSA-N 2 1 318.465 1.400 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960264756 716472713 /nfs/dbraw/zinc/47/27/13/716472713.db2.gz IPLIAWXUYYCMLJ-WNRNVDISSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960264756 716472716 /nfs/dbraw/zinc/47/27/16/716472716.db2.gz IPLIAWXUYYCMLJ-WNRNVDISSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960264756 716472719 /nfs/dbraw/zinc/47/27/19/716472719.db2.gz IPLIAWXUYYCMLJ-WNRNVDISSA-N 2 1 319.493 1.977 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000961267106 716888638 /nfs/dbraw/zinc/88/86/38/716888638.db2.gz XLHGGUMUVYELPH-HUUCEWRRSA-N 2 1 300.406 1.146 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942057778 717455198 /nfs/dbraw/zinc/45/51/98/717455198.db2.gz PFBKRXJQTCFUEP-CABCVRRESA-N 2 1 319.453 1.071 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942302016 717606323 /nfs/dbraw/zinc/60/63/23/717606323.db2.gz IDAPLBHJWVUYBZ-YOEHRIQHSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963336807 717747344 /nfs/dbraw/zinc/74/73/44/717747344.db2.gz HEDMBAFNZQASNN-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963336807 717747349 /nfs/dbraw/zinc/74/73/49/717747349.db2.gz HEDMBAFNZQASNN-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944169718 718265392 /nfs/dbraw/zinc/26/53/92/718265392.db2.gz QHIXCJVLDAJIOW-UKRRQHHQSA-N 2 1 300.406 1.221 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904824 718704651 /nfs/dbraw/zinc/70/46/51/718704651.db2.gz UMUMVSUZMOIQEN-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517524 718814474 /nfs/dbraw/zinc/81/44/74/718814474.db2.gz ICYKGBDJMPCDOS-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517524 718814481 /nfs/dbraw/zinc/81/44/81/718814481.db2.gz ICYKGBDJMPCDOS-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517524 718814485 /nfs/dbraw/zinc/81/44/85/718814485.db2.gz ICYKGBDJMPCDOS-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552720 719209543 /nfs/dbraw/zinc/20/95/43/719209543.db2.gz XNGRSHIGBCCGKC-GOEBONIOSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615206 719227582 /nfs/dbraw/zinc/22/75/82/719227582.db2.gz GHDXCIMDHCEIIJ-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908160 719304740 /nfs/dbraw/zinc/30/47/40/719304740.db2.gz PFZILJPFLXQYSU-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)[C@@H](C)C2)CC1 ZINC000948069417 719348934 /nfs/dbraw/zinc/34/89/34/719348934.db2.gz HNGFTEIQHKSXRC-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498249 719624889 /nfs/dbraw/zinc/62/48/89/719624889.db2.gz YPORXRSGNHWNOP-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498249 719624892 /nfs/dbraw/zinc/62/48/92/719624892.db2.gz YPORXRSGNHWNOP-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948767475 719696468 /nfs/dbraw/zinc/69/64/68/719696468.db2.gz XENONNAUPLJNHP-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767475 719696472 /nfs/dbraw/zinc/69/64/72/719696472.db2.gz XENONNAUPLJNHP-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767475 719696475 /nfs/dbraw/zinc/69/64/75/719696475.db2.gz XENONNAUPLJNHP-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000968752559 719771174 /nfs/dbraw/zinc/77/11/74/719771174.db2.gz OKQTUNSSLBYFKQ-CZUORRHYSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000968752559 719771178 /nfs/dbraw/zinc/77/11/78/719771178.db2.gz OKQTUNSSLBYFKQ-CZUORRHYSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000968752559 719771182 /nfs/dbraw/zinc/77/11/82/719771182.db2.gz OKQTUNSSLBYFKQ-CZUORRHYSA-N 2 1 317.437 1.557 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@H+]2CC#C)CC1 ZINC000969155606 719980989 /nfs/dbraw/zinc/98/09/89/719980989.db2.gz BXQQHZDFDUBMIS-GOSISDBHSA-N 2 1 315.461 1.326 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829564 720314011 /nfs/dbraw/zinc/31/40/11/720314011.db2.gz CQJNIMKVZFAVOO-HZPDHXFCSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501072 720659518 /nfs/dbraw/zinc/65/95/18/720659518.db2.gz NYSHLXMDQXIIDE-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950501072 720659520 /nfs/dbraw/zinc/65/95/20/720659520.db2.gz NYSHLXMDQXIIDE-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326538 720711476 /nfs/dbraw/zinc/71/14/76/720711476.db2.gz UHMIRJWPXYXOLH-ZBFHGGJFSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326538 720711478 /nfs/dbraw/zinc/71/14/78/720711478.db2.gz UHMIRJWPXYXOLH-ZBFHGGJFSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCC)C2)CC1 ZINC001027693899 738557624 /nfs/dbraw/zinc/55/76/24/738557624.db2.gz MQPZUEBHYIJWGA-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=C)C)C2)CC1 ZINC001027694481 738557995 /nfs/dbraw/zinc/55/79/95/738557995.db2.gz ZPKXDUWKLVTPDR-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC=C(C)C)CC1 ZINC001039042470 732493462 /nfs/dbraw/zinc/49/34/62/732493462.db2.gz RGSOVRATWYONIL-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536410 732529437 /nfs/dbraw/zinc/52/94/37/732529437.db2.gz NLBSGEKITPAPPQ-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529581 738650636 /nfs/dbraw/zinc/65/06/36/738650636.db2.gz GSWXOYJXLIFOGL-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001167232679 732848124 /nfs/dbraw/zinc/84/81/24/732848124.db2.gz MFVVNJBSDNZVAW-GOSISDBHSA-N 2 1 323.456 1.708 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C ZINC001021285291 733107959 /nfs/dbraw/zinc/10/79/59/733107959.db2.gz HNPKTKPOTDGFHY-HMQMGEFJSA-N 2 1 301.434 1.382 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C ZINC001021285291 733107960 /nfs/dbraw/zinc/10/79/60/733107960.db2.gz HNPKTKPOTDGFHY-HMQMGEFJSA-N 2 1 301.434 1.382 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C ZINC001021285291 733107965 /nfs/dbraw/zinc/10/79/65/733107965.db2.gz HNPKTKPOTDGFHY-HMQMGEFJSA-N 2 1 301.434 1.382 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC=C ZINC001021285291 733107966 /nfs/dbraw/zinc/10/79/66/733107966.db2.gz HNPKTKPOTDGFHY-HMQMGEFJSA-N 2 1 301.434 1.382 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC=C ZINC001021285291 733107972 /nfs/dbraw/zinc/10/79/72/733107972.db2.gz HNPKTKPOTDGFHY-HMQMGEFJSA-N 2 1 301.434 1.382 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021635374 733389932 /nfs/dbraw/zinc/38/99/32/733389932.db2.gz KBCLRISUAMNAJO-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635374 733389936 /nfs/dbraw/zinc/38/99/36/733389936.db2.gz KBCLRISUAMNAJO-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635374 733389938 /nfs/dbraw/zinc/38/99/38/733389938.db2.gz KBCLRISUAMNAJO-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426091 733448647 /nfs/dbraw/zinc/44/86/47/733448647.db2.gz PTRNPVCSJVDKSB-IAGOWNOFSA-N 2 1 317.477 1.903 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021717762 733481116 /nfs/dbraw/zinc/48/11/16/733481116.db2.gz QYZFYASOPHTZRW-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001023084321 735030749 /nfs/dbraw/zinc/03/07/49/735030749.db2.gz NHTFEJAVWFLYKM-ZACQAIPSSA-N 2 1 312.417 1.247 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023457223 735248602 /nfs/dbraw/zinc/24/86/02/735248602.db2.gz KGADNHVAWANOFU-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457223 735248605 /nfs/dbraw/zinc/24/86/05/735248605.db2.gz KGADNHVAWANOFU-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457223 735248608 /nfs/dbraw/zinc/24/86/08/735248608.db2.gz KGADNHVAWANOFU-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479423 735856460 /nfs/dbraw/zinc/85/64/60/735856460.db2.gz HIQBMUCOAUIACI-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479423 735856464 /nfs/dbraw/zinc/85/64/64/735856464.db2.gz HIQBMUCOAUIACI-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479423 735856467 /nfs/dbraw/zinc/85/64/67/735856467.db2.gz HIQBMUCOAUIACI-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479423 735856472 /nfs/dbraw/zinc/85/64/72/735856472.db2.gz HIQBMUCOAUIACI-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506054 735883925 /nfs/dbraw/zinc/88/39/25/735883925.db2.gz INEUVZVOWIYCIU-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506054 735883931 /nfs/dbraw/zinc/88/39/31/735883931.db2.gz INEUVZVOWIYCIU-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506054 735883933 /nfs/dbraw/zinc/88/39/33/735883933.db2.gz INEUVZVOWIYCIU-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506054 735883937 /nfs/dbraw/zinc/88/39/37/735883937.db2.gz INEUVZVOWIYCIU-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001024615781 735986259 /nfs/dbraw/zinc/98/62/59/735986259.db2.gz HPDRBVCTSYUDBP-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024615781 735986262 /nfs/dbraw/zinc/98/62/62/735986262.db2.gz HPDRBVCTSYUDBP-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024615781 735986264 /nfs/dbraw/zinc/98/62/64/735986264.db2.gz HPDRBVCTSYUDBP-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001087312752 736049073 /nfs/dbraw/zinc/04/90/73/736049073.db2.gz JTVGUMWCFRVGCN-OWCLPIDISA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024807187 736103939 /nfs/dbraw/zinc/10/39/39/736103939.db2.gz ANBDTIPPEFTUOY-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024807187 736103941 /nfs/dbraw/zinc/10/39/41/736103941.db2.gz ANBDTIPPEFTUOY-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807187 736103943 /nfs/dbraw/zinc/10/39/43/736103943.db2.gz ANBDTIPPEFTUOY-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807187 736103945 /nfs/dbraw/zinc/10/39/45/736103945.db2.gz ANBDTIPPEFTUOY-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028872444 740128003 /nfs/dbraw/zinc/12/80/03/740128003.db2.gz GWZMPCUSJAEOKP-INIZCTEOSA-N 2 1 301.434 1.986 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020025336 736980960 /nfs/dbraw/zinc/98/09/60/736980960.db2.gz KTBXKLVZNVVOGB-BRWVUGGUSA-N 2 1 312.417 1.389 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020150396 736999454 /nfs/dbraw/zinc/99/94/54/736999454.db2.gz SHDLSMNDIUPIKQ-TUVASFSCSA-N 2 1 311.857 1.850 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099942 737117657 /nfs/dbraw/zinc/11/76/57/737117657.db2.gz NDOCWEAVDHBULU-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099942 737117659 /nfs/dbraw/zinc/11/76/59/737117659.db2.gz NDOCWEAVDHBULU-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099942 737117662 /nfs/dbraw/zinc/11/76/62/737117662.db2.gz NDOCWEAVDHBULU-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099942 737117667 /nfs/dbraw/zinc/11/76/67/737117667.db2.gz NDOCWEAVDHBULU-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]12 ZINC001026298363 737315548 /nfs/dbraw/zinc/31/55/48/737315548.db2.gz MJFFGSMQIOKMNZ-BPLDGKMQSA-N 2 1 318.421 1.362 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008764875 738024668 /nfs/dbraw/zinc/02/46/68/738024668.db2.gz DLOMQDBOHDYRCS-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008764875 738024670 /nfs/dbraw/zinc/02/46/70/738024670.db2.gz DLOMQDBOHDYRCS-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008764875 738024675 /nfs/dbraw/zinc/02/46/75/738024675.db2.gz DLOMQDBOHDYRCS-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444682 738298118 /nfs/dbraw/zinc/29/81/18/738298118.db2.gz ULGKKESOPFWKGY-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444682 738298120 /nfs/dbraw/zinc/29/81/20/738298120.db2.gz ULGKKESOPFWKGY-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505779 738358606 /nfs/dbraw/zinc/35/86/06/738358606.db2.gz PZXBAQRRQOSDGW-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001027979849 738900951 /nfs/dbraw/zinc/90/09/51/738900951.db2.gz ISTUPMVUBMLTFE-CABCVRRESA-N 2 1 300.406 1.049 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027546216 738392628 /nfs/dbraw/zinc/39/26/28/738392628.db2.gz NBXCWMKWNDVJNT-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027546216 738392631 /nfs/dbraw/zinc/39/26/31/738392631.db2.gz NBXCWMKWNDVJNT-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001028329353 739367709 /nfs/dbraw/zinc/36/77/09/739367709.db2.gz KJPREWMDILCBDC-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329353 739367712 /nfs/dbraw/zinc/36/77/12/739367712.db2.gz KJPREWMDILCBDC-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329353 739367717 /nfs/dbraw/zinc/36/77/17/739367717.db2.gz KJPREWMDILCBDC-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329353 739367722 /nfs/dbraw/zinc/36/77/22/739367722.db2.gz KJPREWMDILCBDC-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329353 739367725 /nfs/dbraw/zinc/36/77/25/739367725.db2.gz KJPREWMDILCBDC-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028902250 740157464 /nfs/dbraw/zinc/15/74/64/740157464.db2.gz RSBUZMBRZQBXRS-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001029003720 740248732 /nfs/dbraw/zinc/24/87/32/740248732.db2.gz POKGLNLHBVFNIZ-MRXNPFEDSA-N 2 1 303.450 1.180 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001035485219 751539002 /nfs/dbraw/zinc/53/90/02/751539002.db2.gz PENBAJMSRWUXEW-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035485219 751539003 /nfs/dbraw/zinc/53/90/03/751539003.db2.gz PENBAJMSRWUXEW-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035485219 751539005 /nfs/dbraw/zinc/53/90/05/751539005.db2.gz PENBAJMSRWUXEW-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035485219 751539007 /nfs/dbraw/zinc/53/90/07/751539007.db2.gz PENBAJMSRWUXEW-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998178122 751569966 /nfs/dbraw/zinc/56/99/66/751569966.db2.gz ZJJDJFFUWQKYAL-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C)[C@@H]2CC)CC1 ZINC001087840044 740779639 /nfs/dbraw/zinc/77/96/39/740779639.db2.gz DXJKMYHNETWYLL-DLBZAZTESA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992120 740933383 /nfs/dbraw/zinc/93/33/83/740933383.db2.gz DYYSAXWDCBMTKS-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992120 740933386 /nfs/dbraw/zinc/93/33/86/740933386.db2.gz DYYSAXWDCBMTKS-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992120 740933391 /nfs/dbraw/zinc/93/33/91/740933391.db2.gz DYYSAXWDCBMTKS-KURKYZTESA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088693012 742177247 /nfs/dbraw/zinc/17/72/47/742177247.db2.gz IJKOQYHSYAWHAO-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737386 742265881 /nfs/dbraw/zinc/26/58/81/742265881.db2.gz RACOACSMHXJYLF-ZBFHGGJFSA-N 2 1 323.400 1.483 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264319 742286165 /nfs/dbraw/zinc/28/61/65/742286165.db2.gz NQESWLBHODJIEA-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264319 742286166 /nfs/dbraw/zinc/28/61/66/742286166.db2.gz NQESWLBHODJIEA-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264319 742286168 /nfs/dbraw/zinc/28/61/68/742286168.db2.gz NQESWLBHODJIEA-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076083858 742531958 /nfs/dbraw/zinc/53/19/58/742531958.db2.gz UWEPAVPZSLLGDO-RCCFBDPRSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244407 742623824 /nfs/dbraw/zinc/62/38/24/742623824.db2.gz RGWHDUARXVCMKG-DAYGRLMNSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244407 742623829 /nfs/dbraw/zinc/62/38/29/742623829.db2.gz RGWHDUARXVCMKG-DAYGRLMNSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244407 742623834 /nfs/dbraw/zinc/62/38/34/742623834.db2.gz RGWHDUARXVCMKG-DAYGRLMNSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244407 742623836 /nfs/dbraw/zinc/62/38/36/742623836.db2.gz RGWHDUARXVCMKG-DAYGRLMNSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671014 743295588 /nfs/dbraw/zinc/29/55/88/743295588.db2.gz HLJPZGFMWIKOGD-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614392 743683128 /nfs/dbraw/zinc/68/31/28/743683128.db2.gz FOFZXZOUPZDXHW-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001151409817 744094429 /nfs/dbraw/zinc/09/44/29/744094429.db2.gz ISZOEIDOEKRAQI-UHFFFAOYSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185216924 744181932 /nfs/dbraw/zinc/18/19/32/744181932.db2.gz RUYZYPAAASGBLD-HOTGVXAUSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992429030 744871488 /nfs/dbraw/zinc/87/14/88/744871488.db2.gz MIDFWAIXKOKAIY-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992429030 744871490 /nfs/dbraw/zinc/87/14/90/744871490.db2.gz MIDFWAIXKOKAIY-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992429030 744871492 /nfs/dbraw/zinc/87/14/92/744871492.db2.gz MIDFWAIXKOKAIY-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CN1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030987259 745029581 /nfs/dbraw/zinc/02/95/81/745029581.db2.gz LFHWWSSWKASXCT-MSOLQXFVSA-N 2 1 313.445 1.708 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000992924707 745294553 /nfs/dbraw/zinc/29/45/53/745294553.db2.gz XUWWQTQTBUSBNB-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106250219 745461713 /nfs/dbraw/zinc/46/17/13/745461713.db2.gz YECGSMJXEBQYBV-KFWWJZLASA-N 2 1 300.406 1.078 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=C)C)[C@H](C)C1 ZINC001106266388 745493642 /nfs/dbraw/zinc/49/36/42/745493642.db2.gz HIYSDHNNFXFJCL-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=C)C)[C@H](C)C1 ZINC001106266388 745493646 /nfs/dbraw/zinc/49/36/46/745493646.db2.gz HIYSDHNNFXFJCL-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683779 745586268 /nfs/dbraw/zinc/58/62/68/745586268.db2.gz JWBPBEZMNUHCRO-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191950926 745655256 /nfs/dbraw/zinc/65/52/56/745655256.db2.gz WDWDOZLOKMJKPB-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191950926 745655260 /nfs/dbraw/zinc/65/52/60/745655260.db2.gz WDWDOZLOKMJKPB-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950926 745655263 /nfs/dbraw/zinc/65/52/63/745655263.db2.gz WDWDOZLOKMJKPB-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950926 745655266 /nfs/dbraw/zinc/65/52/66/745655266.db2.gz WDWDOZLOKMJKPB-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667303 745886369 /nfs/dbraw/zinc/88/63/69/745886369.db2.gz SPYHXZQEDTWVJW-FVQBIDKESA-N 2 1 316.449 1.624 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192786972 745892567 /nfs/dbraw/zinc/89/25/67/745892567.db2.gz GABMYRVQNCNQEP-INIZCTEOSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192867024 745908526 /nfs/dbraw/zinc/90/85/26/745908526.db2.gz PIBDZIGMRQXTMD-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192867024 745908529 /nfs/dbraw/zinc/90/85/29/745908529.db2.gz PIBDZIGMRQXTMD-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193076840 745969300 /nfs/dbraw/zinc/96/93/00/745969300.db2.gz DCCKJSQUOVSQKG-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@H](C)CCC=C)CC1 ZINC001196191550 746787367 /nfs/dbraw/zinc/78/73/67/746787367.db2.gz HAIAXYCURZJXDS-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+]([C@H](C)CCC=C)CC1 ZINC001196191550 746787371 /nfs/dbraw/zinc/78/73/71/746787371.db2.gz HAIAXYCURZJXDS-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@H](C)CCC=C)CC1 ZINC001196191550 746787375 /nfs/dbraw/zinc/78/73/75/746787375.db2.gz HAIAXYCURZJXDS-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@H](C)CCC=C)CC1 ZINC001196191550 746787379 /nfs/dbraw/zinc/78/73/79/746787379.db2.gz HAIAXYCURZJXDS-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203175146 746825391 /nfs/dbraw/zinc/82/53/91/746825391.db2.gz BINZYXGKPBIUTE-CABCVRRESA-N 2 1 302.422 1.785 20 30 DDEDMP C[NH+](C)CCC(=O)N1CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001197044235 747034168 /nfs/dbraw/zinc/03/41/68/747034168.db2.gz QIKSRINRXFUYFS-UHFFFAOYSA-N 2 1 320.462 1.606 20 30 DDEDMP C[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001197044235 747034170 /nfs/dbraw/zinc/03/41/70/747034170.db2.gz QIKSRINRXFUYFS-UHFFFAOYSA-N 2 1 320.462 1.606 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001007495410 752172438 /nfs/dbraw/zinc/17/24/38/752172438.db2.gz JMYWALAJCSHLMJ-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007495410 752172442 /nfs/dbraw/zinc/17/24/42/752172442.db2.gz JMYWALAJCSHLMJ-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001031790947 747850266 /nfs/dbraw/zinc/85/02/66/747850266.db2.gz XCPXYWSHNDULGD-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492760 752222370 /nfs/dbraw/zinc/22/23/70/752222370.db2.gz GCZGEDZFUORKLF-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492760 752222373 /nfs/dbraw/zinc/22/23/73/752222373.db2.gz GCZGEDZFUORKLF-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492760 752222380 /nfs/dbraw/zinc/22/23/80/752222380.db2.gz GCZGEDZFUORKLF-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000998803643 752238410 /nfs/dbraw/zinc/23/84/10/752238410.db2.gz BANROCWGVDCJNC-ZUEPYMLJSA-N 2 1 315.421 1.002 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000998803643 752238419 /nfs/dbraw/zinc/23/84/19/752238419.db2.gz BANROCWGVDCJNC-ZUEPYMLJSA-N 2 1 315.421 1.002 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479608 748253589 /nfs/dbraw/zinc/25/35/89/748253589.db2.gz SBZCUMZRZRKIDR-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200548394 748273310 /nfs/dbraw/zinc/27/33/10/748273310.db2.gz UVYSKQINKMEJSF-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCO1 ZINC001200688386 748311776 /nfs/dbraw/zinc/31/17/76/748311776.db2.gz OMIHTOKMJOLCGY-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033183608 748830773 /nfs/dbraw/zinc/83/07/73/748830773.db2.gz ZXAWBJNNXCCOEN-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033212912 748949044 /nfs/dbraw/zinc/94/90/44/748949044.db2.gz DZPLITDHEOTQGI-MRXNPFEDSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001039278732 761906685 /nfs/dbraw/zinc/90/66/85/761906685.db2.gz NNTKIAWUNVILHZ-FBVQUNGASA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039286233 761911412 /nfs/dbraw/zinc/91/14/12/761911412.db2.gz JIOIKMFLUDMATF-XFYFCPPXSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366892 749256123 /nfs/dbraw/zinc/25/61/23/749256123.db2.gz WYGGSMFABRMORM-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366892 749256126 /nfs/dbraw/zinc/25/61/26/749256126.db2.gz WYGGSMFABRMORM-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995891931 749277858 /nfs/dbraw/zinc/27/78/58/749277858.db2.gz DYNBPDDIUIQZRW-CVEARBPZSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033570606 749567328 /nfs/dbraw/zinc/56/73/28/749567328.db2.gz HEHZNZYIKONANU-KRWDZBQOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001033685526 749716356 /nfs/dbraw/zinc/71/63/56/749716356.db2.gz LYUPTDXYVDYPSQ-DOTOQJQBSA-N 2 1 323.456 1.612 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039376222 761977254 /nfs/dbraw/zinc/97/72/54/761977254.db2.gz ODGIEZBLIBIAPI-IXDOHACOSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438549 749959199 /nfs/dbraw/zinc/95/91/99/749959199.db2.gz DWOYZQGVLHINCN-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438549 749959202 /nfs/dbraw/zinc/95/92/02/749959202.db2.gz DWOYZQGVLHINCN-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438549 749959206 /nfs/dbraw/zinc/95/92/06/749959206.db2.gz DWOYZQGVLHINCN-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524110 750089055 /nfs/dbraw/zinc/08/90/55/750089055.db2.gz IDJZGBIJUJIXRV-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000996803105 750135019 /nfs/dbraw/zinc/13/50/19/750135019.db2.gz DZNLCNBVAJNDSB-UHFFFAOYSA-N 2 1 316.449 1.919 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431575 762026904 /nfs/dbraw/zinc/02/69/04/762026904.db2.gz JQAZXVNVWXRUKX-IXDOHACOSA-N 2 1 305.466 1.661 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC#CC)C2)CC1 ZINC001034539138 750543195 /nfs/dbraw/zinc/54/31/95/750543195.db2.gz VXAWDAXQTMCBNH-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001045482054 750585453 /nfs/dbraw/zinc/58/54/53/750585453.db2.gz BEAXKUSBZFGPLW-UHFFFAOYSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415387 750642347 /nfs/dbraw/zinc/64/23/47/750642347.db2.gz SYDAYWZYPGPJMZ-ZACQAIPSSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997220393 750700520 /nfs/dbraw/zinc/70/05/20/750700520.db2.gz ANILKFRXHCUPEU-INIZCTEOSA-N 2 1 311.857 1.805 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001000676761 762080589 /nfs/dbraw/zinc/08/05/89/762080589.db2.gz QUGNCYZUJDKANS-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903786 751212586 /nfs/dbraw/zinc/21/25/86/751212586.db2.gz LOGYUKWZHBPGBA-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903786 751212587 /nfs/dbraw/zinc/21/25/87/751212587.db2.gz LOGYUKWZHBPGBA-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903786 751212589 /nfs/dbraw/zinc/21/25/89/751212589.db2.gz LOGYUKWZHBPGBA-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997725128 751240148 /nfs/dbraw/zinc/24/01/48/751240148.db2.gz AVEPUAYJTSWGOV-FUHWJXTLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997724475 751240747 /nfs/dbraw/zinc/24/07/47/751240747.db2.gz OGEUTIOEFXOGAG-DOTOQJQBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997724475 751240750 /nfs/dbraw/zinc/24/07/50/751240750.db2.gz OGEUTIOEFXOGAG-DOTOQJQBSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035185130 751276895 /nfs/dbraw/zinc/27/68/95/751276895.db2.gz VDWCYOKMXUEJOG-QGZVFWFLSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095915349 751326205 /nfs/dbraw/zinc/32/62/05/751326205.db2.gz CBPFCWFAQBFOCQ-UGUYLWEFSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001095915349 751326212 /nfs/dbraw/zinc/32/62/12/751326212.db2.gz CBPFCWFAQBFOCQ-UGUYLWEFSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095915349 751326214 /nfs/dbraw/zinc/32/62/14/751326214.db2.gz CBPFCWFAQBFOCQ-UGUYLWEFSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095915349 751326220 /nfs/dbraw/zinc/32/62/20/751326220.db2.gz CBPFCWFAQBFOCQ-UGUYLWEFSA-N 2 1 307.438 1.003 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001035257297 751335827 /nfs/dbraw/zinc/33/58/27/751335827.db2.gz WFYSSDORSOWOPL-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007750486 752312913 /nfs/dbraw/zinc/31/29/13/752312913.db2.gz XYVFAJOQJVJHSV-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007750486 752312922 /nfs/dbraw/zinc/31/29/22/752312922.db2.gz XYVFAJOQJVJHSV-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007750486 752312925 /nfs/dbraw/zinc/31/29/25/752312925.db2.gz XYVFAJOQJVJHSV-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007750486 752312935 /nfs/dbraw/zinc/31/29/35/752312935.db2.gz XYVFAJOQJVJHSV-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000998901235 752351008 /nfs/dbraw/zinc/35/10/08/752351008.db2.gz LDLXSOMGTLRANL-BDVYOWHSSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007972340 752472357 /nfs/dbraw/zinc/47/23/57/752472357.db2.gz MUFRNWASVFZPFN-HNNXBMFYSA-N 2 1 314.433 1.366 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007972340 752472361 /nfs/dbraw/zinc/47/23/61/752472361.db2.gz MUFRNWASVFZPFN-HNNXBMFYSA-N 2 1 314.433 1.366 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008338639 752681255 /nfs/dbraw/zinc/68/12/55/752681255.db2.gz DXNYUPKAHUROGT-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008338639 752681260 /nfs/dbraw/zinc/68/12/60/752681260.db2.gz DXNYUPKAHUROGT-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008879001 752957716 /nfs/dbraw/zinc/95/77/16/752957716.db2.gz BLKZQKZXECEXRL-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005881720 753293731 /nfs/dbraw/zinc/29/37/31/753293731.db2.gz JTZBNGQLIIFRDJ-INIZCTEOSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005881720 753293734 /nfs/dbraw/zinc/29/37/34/753293734.db2.gz JTZBNGQLIIFRDJ-INIZCTEOSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430354 753469832 /nfs/dbraw/zinc/46/98/32/753469832.db2.gz KJIALKKPAKHGDG-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430354 753469838 /nfs/dbraw/zinc/46/98/38/753469838.db2.gz KJIALKKPAKHGDG-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430354 753469842 /nfs/dbraw/zinc/46/98/42/753469842.db2.gz KJIALKKPAKHGDG-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839749 762252088 /nfs/dbraw/zinc/25/20/88/762252088.db2.gz GMYCKMCSCVWOFU-IAGOWNOFSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000839749 762252091 /nfs/dbraw/zinc/25/20/91/762252091.db2.gz GMYCKMCSCVWOFU-IAGOWNOFSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000839749 762252096 /nfs/dbraw/zinc/25/20/96/762252096.db2.gz GMYCKMCSCVWOFU-IAGOWNOFSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC(C)C)CC1 ZINC001032800532 754061055 /nfs/dbraw/zinc/06/10/55/754061055.db2.gz MBYCWKRJAOKKBI-IRXDYDNUSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040106796 762387177 /nfs/dbraw/zinc/38/71/77/762387177.db2.gz DENCZMUXERDKNX-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040106796 762387180 /nfs/dbraw/zinc/38/71/80/762387180.db2.gz DENCZMUXERDKNX-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040106796 762387181 /nfs/dbraw/zinc/38/71/81/762387181.db2.gz DENCZMUXERDKNX-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342002 755858343 /nfs/dbraw/zinc/85/83/43/755858343.db2.gz DIASRTRPOWFIFK-XNRPHZJLSA-N 2 1 302.422 1.376 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342002 755858348 /nfs/dbraw/zinc/85/83/48/755858348.db2.gz DIASRTRPOWFIFK-XNRPHZJLSA-N 2 1 302.422 1.376 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081098126 756205927 /nfs/dbraw/zinc/20/59/27/756205927.db2.gz WILANZQWMGZKIS-KSZLIROESA-N 2 1 311.429 1.298 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082072755 756625051 /nfs/dbraw/zinc/62/50/51/756625051.db2.gz HEZWJADXLFVTAC-HUUCEWRRSA-N 2 1 321.421 1.346 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082072755 756625054 /nfs/dbraw/zinc/62/50/54/756625054.db2.gz HEZWJADXLFVTAC-HUUCEWRRSA-N 2 1 321.421 1.346 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001016329519 756930918 /nfs/dbraw/zinc/93/09/18/756930918.db2.gz AXIOUIJZHGMLMX-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001016331045 756931866 /nfs/dbraw/zinc/93/18/66/756931866.db2.gz JBJWKONQRVSARH-FTWHOSCRSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001016331045 756931869 /nfs/dbraw/zinc/93/18/69/756931869.db2.gz JBJWKONQRVSARH-FTWHOSCRSA-N 2 1 309.841 1.275 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016971492 757520096 /nfs/dbraw/zinc/52/00/96/757520096.db2.gz IIYRJEGIHJFTDJ-HNNXBMFYSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985540 757532052 /nfs/dbraw/zinc/53/20/52/757532052.db2.gz KHSBLEYWXNZUDV-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985540 757532064 /nfs/dbraw/zinc/53/20/64/757532064.db2.gz KHSBLEYWXNZUDV-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001084410103 757566964 /nfs/dbraw/zinc/56/69/64/757566964.db2.gz YALSILDFMCAURO-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001084410103 757566972 /nfs/dbraw/zinc/56/69/72/757566972.db2.gz YALSILDFMCAURO-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001084410103 757566980 /nfs/dbraw/zinc/56/69/80/757566980.db2.gz YALSILDFMCAURO-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706094 757669406 /nfs/dbraw/zinc/66/94/06/757669406.db2.gz OUFFYNZBZHKIDW-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706094 757669409 /nfs/dbraw/zinc/66/94/09/757669409.db2.gz OUFFYNZBZHKIDW-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767098 757743326 /nfs/dbraw/zinc/74/33/26/757743326.db2.gz RWVRBDSZDJMWDS-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017549222 758014878 /nfs/dbraw/zinc/01/48/78/758014878.db2.gz GBXOBBZWTCCQNQ-XLAORIBOSA-N 2 1 315.461 1.559 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941359 758086381 /nfs/dbraw/zinc/08/63/81/758086381.db2.gz DGSJPXRYYUPSRI-SQNIBIBYSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963476 758102067 /nfs/dbraw/zinc/10/20/67/758102067.db2.gz XTHMQJPNRSYMHD-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963476 758102068 /nfs/dbraw/zinc/10/20/68/758102068.db2.gz XTHMQJPNRSYMHD-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963476 758102070 /nfs/dbraw/zinc/10/20/70/758102070.db2.gz XTHMQJPNRSYMHD-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)C[C@@H]21 ZINC001084975644 758114765 /nfs/dbraw/zinc/11/47/65/758114765.db2.gz MTJMNSNIAPQHME-VYDXJSESSA-N 2 1 314.433 1.554 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018175946 758602644 /nfs/dbraw/zinc/60/26/44/758602644.db2.gz CFQPSIXYOVYUHI-TVFCKZIOSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCC(C)CC1)CO2 ZINC001053964411 758999637 /nfs/dbraw/zinc/99/96/37/758999637.db2.gz FUIBVNQFIMFUOQ-INIZCTEOSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053982468 759022021 /nfs/dbraw/zinc/02/20/21/759022021.db2.gz KFPWXXXRECLVKT-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053982468 759022035 /nfs/dbraw/zinc/02/20/35/759022035.db2.gz KFPWXXXRECLVKT-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001085252993 759203770 /nfs/dbraw/zinc/20/37/70/759203770.db2.gz QRTGVVQRZXSKDK-ZIAGYGMSSA-N 2 1 306.410 1.553 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054198059 759284204 /nfs/dbraw/zinc/28/42/04/759284204.db2.gz OMVHAFQRGRUDOC-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198059 759284208 /nfs/dbraw/zinc/28/42/08/759284208.db2.gz OMVHAFQRGRUDOC-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198059 759284212 /nfs/dbraw/zinc/28/42/12/759284212.db2.gz OMVHAFQRGRUDOC-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP N#C[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)C(N)=O ZINC001170538082 767881267 /nfs/dbraw/zinc/88/12/67/767881267.db2.gz YLYMHWCQISYUPG-TZMCWYRMSA-N 2 1 312.377 1.140 20 30 DDEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598421 759810795 /nfs/dbraw/zinc/81/07/95/759810795.db2.gz SNZHTIMBMFHKKW-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598421 759810804 /nfs/dbraw/zinc/81/08/04/759810804.db2.gz SNZHTIMBMFHKKW-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598421 759810814 /nfs/dbraw/zinc/81/08/14/759810814.db2.gz SNZHTIMBMFHKKW-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598421 759810827 /nfs/dbraw/zinc/81/08/27/759810827.db2.gz SNZHTIMBMFHKKW-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097972175 760313258 /nfs/dbraw/zinc/31/32/58/760313258.db2.gz PVSNZCVRUDZCGP-HZMVEIRTSA-N 2 1 303.450 1.606 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001098406047 760947423 /nfs/dbraw/zinc/94/74/23/760947423.db2.gz CPJMNITZXKHIDJ-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098406047 760947429 /nfs/dbraw/zinc/94/74/29/760947429.db2.gz CPJMNITZXKHIDJ-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001098406047 760947437 /nfs/dbraw/zinc/94/74/37/760947437.db2.gz CPJMNITZXKHIDJ-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000331115 761647938 /nfs/dbraw/zinc/64/79/38/761647938.db2.gz AMFDNYCJTKBHJU-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCC2)CC1 ZINC001039042295 761683041 /nfs/dbraw/zinc/68/30/41/761683041.db2.gz PIUNALGUOLKTMD-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108777839 762919705 /nfs/dbraw/zinc/91/97/05/762919705.db2.gz HFLUEZJNQCFZRJ-BBWFWOEESA-N 2 1 314.433 1.574 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285716 762933779 /nfs/dbraw/zinc/93/37/79/762933779.db2.gz HEVPNYCDHCRYDU-IEBWSBKVSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288531 762936427 /nfs/dbraw/zinc/93/64/27/762936427.db2.gz XTVUWYMBECIXNR-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063540 763078475 /nfs/dbraw/zinc/07/84/75/763078475.db2.gz OMUQQPHKHIZBFR-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063540 763078478 /nfs/dbraw/zinc/07/84/78/763078478.db2.gz OMUQQPHKHIZBFR-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063540 763078481 /nfs/dbraw/zinc/07/84/81/763078481.db2.gz OMUQQPHKHIZBFR-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041504721 763084462 /nfs/dbraw/zinc/08/44/62/763084462.db2.gz BJIMDGYMFALUHP-IEBWSBKVSA-N 2 1 315.461 1.418 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041510387 763088473 /nfs/dbraw/zinc/08/84/73/763088473.db2.gz WPZRBZKQBYFQAF-PKOBYXMFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095659 763127996 /nfs/dbraw/zinc/12/79/96/763127996.db2.gz XJEWTGOPHDAWLS-WMLDXEAASA-N 2 1 308.385 1.504 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050462509 763624567 /nfs/dbraw/zinc/62/45/67/763624567.db2.gz UGOPCVUQXZRIJL-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050519481 763697460 /nfs/dbraw/zinc/69/74/60/763697460.db2.gz JHVJGEZBPHIEBS-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156970 763722513 /nfs/dbraw/zinc/72/25/13/763722513.db2.gz LNIHPEOKYXRWSA-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156970 763722515 /nfs/dbraw/zinc/72/25/15/763722515.db2.gz LNIHPEOKYXRWSA-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050536045 763725602 /nfs/dbraw/zinc/72/56/02/763725602.db2.gz GGHGHRPLAOQDFL-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCF)[C@@H]3C2)CC1 ZINC001042367552 763971430 /nfs/dbraw/zinc/97/14/30/763971430.db2.gz HWQJVXRHMOHHOF-DOTOQJQBSA-N 2 1 321.440 1.224 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001111553122 764302756 /nfs/dbraw/zinc/30/27/56/764302756.db2.gz VHGKHXGPRATJOK-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563123 764405159 /nfs/dbraw/zinc/40/51/59/764405159.db2.gz GTAXCVFLMBSMDB-AOIWGVFYSA-N 2 1 317.477 1.570 20 30 DDEDMP C=C(C)CN1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001042920208 764526155 /nfs/dbraw/zinc/52/61/55/764526155.db2.gz WFRXDYAQPZNFCE-QGZVFWFLSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704678 768272194 /nfs/dbraw/zinc/27/21/94/768272194.db2.gz YIQPQXOTNRYLHT-AEFFLSMTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704678 768272198 /nfs/dbraw/zinc/27/21/98/768272198.db2.gz YIQPQXOTNRYLHT-AEFFLSMTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704678 768272202 /nfs/dbraw/zinc/27/22/02/768272202.db2.gz YIQPQXOTNRYLHT-AEFFLSMTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113353070 765619116 /nfs/dbraw/zinc/61/91/16/765619116.db2.gz KNZHUNPDHSHXKQ-UHFFFAOYSA-N 2 1 311.470 1.311 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001113353070 765619119 /nfs/dbraw/zinc/61/91/19/765619119.db2.gz KNZHUNPDHSHXKQ-UHFFFAOYSA-N 2 1 311.470 1.311 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001044653436 765727147 /nfs/dbraw/zinc/72/71/47/765727147.db2.gz BSQUHKWHNHVNEQ-KBPBESRZSA-N 2 1 320.437 1.895 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447009 765837206 /nfs/dbraw/zinc/83/72/06/765837206.db2.gz VLHNOQHDXQZGEF-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447009 765837211 /nfs/dbraw/zinc/83/72/11/765837211.db2.gz VLHNOQHDXQZGEF-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447009 765837219 /nfs/dbraw/zinc/83/72/19/765837219.db2.gz VLHNOQHDXQZGEF-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052487931 765877804 /nfs/dbraw/zinc/87/78/04/765877804.db2.gz FGLOLGYCXHNWKN-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052487931 765877808 /nfs/dbraw/zinc/87/78/08/765877808.db2.gz FGLOLGYCXHNWKN-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052487931 765877811 /nfs/dbraw/zinc/87/78/11/765877811.db2.gz FGLOLGYCXHNWKN-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052487931 765877814 /nfs/dbraw/zinc/87/78/14/765877814.db2.gz FGLOLGYCXHNWKN-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444525 766311287 /nfs/dbraw/zinc/31/12/87/766311287.db2.gz ODLAPMVTYCMTMA-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114042125 766574562 /nfs/dbraw/zinc/57/45/62/766574562.db2.gz WWFVREAJAZLSAM-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114042125 766574565 /nfs/dbraw/zinc/57/45/65/766574565.db2.gz WWFVREAJAZLSAM-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114042125 766574570 /nfs/dbraw/zinc/57/45/70/766574570.db2.gz WWFVREAJAZLSAM-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985588 766762698 /nfs/dbraw/zinc/76/26/98/766762698.db2.gz XIWVSECROHQXAL-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985588 766762700 /nfs/dbraw/zinc/76/27/00/766762700.db2.gz XIWVSECROHQXAL-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985588 766762703 /nfs/dbraw/zinc/76/27/03/766762703.db2.gz XIWVSECROHQXAL-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001129774805 767000388 /nfs/dbraw/zinc/00/03/88/767000388.db2.gz GIDFKPZXIYYEAI-TWVNLXSWSA-N 2 1 311.429 1.503 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C\c1ccccc1 ZINC001129774805 767000399 /nfs/dbraw/zinc/00/03/99/767000399.db2.gz GIDFKPZXIYYEAI-TWVNLXSWSA-N 2 1 311.429 1.503 20 30 DDEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046376047 767486544 /nfs/dbraw/zinc/48/65/44/767486544.db2.gz QTLDBLROZOVBLA-FUHWJXTLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046376047 767486552 /nfs/dbraw/zinc/48/65/52/767486552.db2.gz QTLDBLROZOVBLA-FUHWJXTLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046376047 767486556 /nfs/dbraw/zinc/48/65/56/767486556.db2.gz QTLDBLROZOVBLA-FUHWJXTLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409827 768820317 /nfs/dbraw/zinc/82/03/17/768820317.db2.gz FRTLBDQTQDSAPD-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409827 768820329 /nfs/dbraw/zinc/82/03/29/768820329.db2.gz FRTLBDQTQDSAPD-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409827 768820344 /nfs/dbraw/zinc/82/03/44/768820344.db2.gz FRTLBDQTQDSAPD-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479115 768911153 /nfs/dbraw/zinc/91/11/53/768911153.db2.gz SOJFWLKVEYQILW-NVXWUHKLSA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479115 768911163 /nfs/dbraw/zinc/91/11/63/768911163.db2.gz SOJFWLKVEYQILW-NVXWUHKLSA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479115 768911168 /nfs/dbraw/zinc/91/11/68/768911168.db2.gz SOJFWLKVEYQILW-NVXWUHKLSA-N 2 1 323.481 1.046 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517804 768931684 /nfs/dbraw/zinc/93/16/84/768931684.db2.gz GXAQCVCLMIUNAC-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549130 768974503 /nfs/dbraw/zinc/97/45/03/768974503.db2.gz NWHLUJCYIIOUNQ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132934109 769333355 /nfs/dbraw/zinc/33/33/55/769333355.db2.gz ZJGBFODKUVXDRN-KGLIPLIRSA-N 2 1 318.421 1.057 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071605616 769703444 /nfs/dbraw/zinc/70/34/44/769703444.db2.gz BNBLFIFNHFYTMD-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071605616 769703454 /nfs/dbraw/zinc/70/34/54/769703454.db2.gz BNBLFIFNHFYTMD-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071646184 769784930 /nfs/dbraw/zinc/78/49/30/769784930.db2.gz SYCXITFBGYFZPZ-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058626 770304844 /nfs/dbraw/zinc/30/48/44/770304844.db2.gz HFGRPSWMRCZVJS-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058626 770304855 /nfs/dbraw/zinc/30/48/55/770304855.db2.gz HFGRPSWMRCZVJS-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049058626 770304865 /nfs/dbraw/zinc/30/48/65/770304865.db2.gz HFGRPSWMRCZVJS-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001133872910 770400903 /nfs/dbraw/zinc/40/09/03/770400903.db2.gz GZTNBXGFSCZQQX-UHFFFAOYSA-N 2 1 314.433 1.496 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392285 770773681 /nfs/dbraw/zinc/77/36/81/770773681.db2.gz XHVYWZVBLXGSBZ-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049519800 770966290 /nfs/dbraw/zinc/96/62/90/770966290.db2.gz BFHRGJXPBLEJPT-BBWFWOEESA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049535913 770996319 /nfs/dbraw/zinc/99/63/19/770996319.db2.gz KXEKTQUYOMVIQF-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535913 770996325 /nfs/dbraw/zinc/99/63/25/770996325.db2.gz KXEKTQUYOMVIQF-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535913 770996332 /nfs/dbraw/zinc/99/63/32/770996332.db2.gz KXEKTQUYOMVIQF-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049716758 771109563 /nfs/dbraw/zinc/10/95/63/771109563.db2.gz BKNCNDCYWBFBEN-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049716758 771109565 /nfs/dbraw/zinc/10/95/65/771109565.db2.gz BKNCNDCYWBFBEN-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049716758 771109567 /nfs/dbraw/zinc/10/95/67/771109567.db2.gz BKNCNDCYWBFBEN-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806008 771175248 /nfs/dbraw/zinc/17/52/48/771175248.db2.gz LXNSLWFVHCFIMN-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821012 771185714 /nfs/dbraw/zinc/18/57/14/771185714.db2.gz QTDOQVGHAWWQEI-QZTJIDSGSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846892 771204194 /nfs/dbraw/zinc/20/41/94/771204194.db2.gz OCWKJQUZTFXHSD-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C)CC1 ZINC001096606673 771286263 /nfs/dbraw/zinc/28/62/63/771286263.db2.gz OQXHGHSUWLFEMM-IKGGRYGDSA-N 2 1 301.434 1.239 20 30 DDEDMP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001135508763 771548449 /nfs/dbraw/zinc/54/84/49/771548449.db2.gz ZEBJWUQWYBBDFD-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097074931 771608598 /nfs/dbraw/zinc/60/85/98/771608598.db2.gz OBEYNZXKHPVCSK-ZACQAIPSSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097074931 771608601 /nfs/dbraw/zinc/60/86/01/771608601.db2.gz OBEYNZXKHPVCSK-ZACQAIPSSA-N 2 1 317.477 1.996 20 30 DDEDMP CC[N@@H+](C)[C@H](C(=O)NCC[NH2+]CC#CCOC)c1ccccc1 ZINC001147458157 773140658 /nfs/dbraw/zinc/14/06/58/773140658.db2.gz KVBMVUYSRQJTMW-KRWDZBQOSA-N 2 1 317.433 1.035 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148292813 773434282 /nfs/dbraw/zinc/43/42/82/773434282.db2.gz VBUQFYXPFYUFGM-HNNXBMFYSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611521 773533886 /nfs/dbraw/zinc/53/38/86/773533886.db2.gz BXGHHWHVZQKQNP-MRXNPFEDSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092675834 774214513 /nfs/dbraw/zinc/21/45/13/774214513.db2.gz NZBCFWPKWGRSSJ-IXDOHACOSA-N 2 1 305.466 1.282 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675834 774214519 /nfs/dbraw/zinc/21/45/19/774214519.db2.gz NZBCFWPKWGRSSJ-IXDOHACOSA-N 2 1 305.466 1.282 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675834 774214524 /nfs/dbraw/zinc/21/45/24/774214524.db2.gz NZBCFWPKWGRSSJ-IXDOHACOSA-N 2 1 305.466 1.282 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092675915 774215354 /nfs/dbraw/zinc/21/53/54/774215354.db2.gz PPYBTOJLNWVCBC-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092675915 774215359 /nfs/dbraw/zinc/21/53/59/774215359.db2.gz PPYBTOJLNWVCBC-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676514 774215749 /nfs/dbraw/zinc/21/57/49/774215749.db2.gz BUDMFQCWRCFJNO-KFWWJZLASA-N 2 1 302.422 1.631 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676514 774215752 /nfs/dbraw/zinc/21/57/52/774215752.db2.gz BUDMFQCWRCFJNO-KFWWJZLASA-N 2 1 302.422 1.631 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001075123322 774369122 /nfs/dbraw/zinc/36/91/22/774369122.db2.gz GZNZTMPOOCSOHW-MELADBBJSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001075123322 774369127 /nfs/dbraw/zinc/36/91/27/774369127.db2.gz GZNZTMPOOCSOHW-MELADBBJSA-N 2 1 315.845 1.039 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748957 774471529 /nfs/dbraw/zinc/47/15/29/774471529.db2.gz OJZJCTVYPLYLHC-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093208858 774509081 /nfs/dbraw/zinc/50/90/81/774509081.db2.gz IUERDRLVBUMXIA-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093208858 774509083 /nfs/dbraw/zinc/50/90/83/774509083.db2.gz IUERDRLVBUMXIA-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093208858 774509087 /nfs/dbraw/zinc/50/90/87/774509087.db2.gz IUERDRLVBUMXIA-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093208858 774509091 /nfs/dbraw/zinc/50/90/91/774509091.db2.gz IUERDRLVBUMXIA-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C)CC1 ZINC001093224449 774536177 /nfs/dbraw/zinc/53/61/77/774536177.db2.gz WODXGXWEYGLFLR-SJLPKXTDSA-N 2 1 319.493 1.672 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036772780 774565373 /nfs/dbraw/zinc/56/53/73/774565373.db2.gz CGHUXVBEKDFTMZ-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036772780 774565374 /nfs/dbraw/zinc/56/53/74/774565374.db2.gz CGHUXVBEKDFTMZ-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001093546880 774822490 /nfs/dbraw/zinc/82/24/90/774822490.db2.gz VKGWSQLNTIHLFN-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107182 774838135 /nfs/dbraw/zinc/83/81/35/774838135.db2.gz WYDGJXNAMWSZSG-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310182 774941334 /nfs/dbraw/zinc/94/13/34/774941334.db2.gz JJMYKKQZTQAYHI-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310182 774941339 /nfs/dbraw/zinc/94/13/39/774941339.db2.gz JJMYKKQZTQAYHI-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310182 774941348 /nfs/dbraw/zinc/94/13/48/774941348.db2.gz JJMYKKQZTQAYHI-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099320935 774945766 /nfs/dbraw/zinc/94/57/66/774945766.db2.gz MOSNNKLDFNFOQX-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001099320935 774945771 /nfs/dbraw/zinc/94/57/71/774945771.db2.gz MOSNNKLDFNFOQX-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419243 775847636 /nfs/dbraw/zinc/84/76/36/775847636.db2.gz XZPWSINKEHGSIJ-YWTNHNAXSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419243 775847639 /nfs/dbraw/zinc/84/76/39/775847639.db2.gz XZPWSINKEHGSIJ-YWTNHNAXSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419243 775847647 /nfs/dbraw/zinc/84/76/47/775847647.db2.gz XZPWSINKEHGSIJ-YWTNHNAXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001100681941 776434392 /nfs/dbraw/zinc/43/43/92/776434392.db2.gz ZQEUCNQPEIYAAL-UHFFFAOYSA-N 2 1 313.445 1.279 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001171762950 776450074 /nfs/dbraw/zinc/45/00/74/776450074.db2.gz NSVGRYWNWIXRQZ-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001100795778 776556427 /nfs/dbraw/zinc/55/64/27/776556427.db2.gz IOVOHORWCLUENM-UHFFFAOYSA-N 2 1 323.400 1.389 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175728864 777883542 /nfs/dbraw/zinc/88/35/42/777883542.db2.gz FPGLMQQSTGTIDF-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366976 778098512 /nfs/dbraw/zinc/09/85/12/778098512.db2.gz XASRPEOYDLCRJS-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366976 778098517 /nfs/dbraw/zinc/09/85/17/778098517.db2.gz XASRPEOYDLCRJS-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102366976 778098522 /nfs/dbraw/zinc/09/85/22/778098522.db2.gz XASRPEOYDLCRJS-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001176972234 778358880 /nfs/dbraw/zinc/35/88/80/778358880.db2.gz RRRKGTQIMXWFGB-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177016089 778393252 /nfs/dbraw/zinc/39/32/52/778393252.db2.gz DIBPPJBDTAGSSU-QGZVFWFLSA-N 2 1 317.433 1.035 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232411 778726830 /nfs/dbraw/zinc/72/68/30/778726830.db2.gz MTZFLYMOFHTATC-HUUCEWRRSA-N 2 1 310.401 1.655 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433567 778863500 /nfs/dbraw/zinc/86/35/00/778863500.db2.gz HPSSJNFDCQGRTE-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103433567 778863503 /nfs/dbraw/zinc/86/35/03/778863503.db2.gz HPSSJNFDCQGRTE-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103433567 778863508 /nfs/dbraw/zinc/86/35/08/778863508.db2.gz HPSSJNFDCQGRTE-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178535460 779083016 /nfs/dbraw/zinc/08/30/16/779083016.db2.gz JSLBZCXEYCFCJR-SJORKVTESA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730205 780380611 /nfs/dbraw/zinc/38/06/11/780380611.db2.gz FMPFMUXPEMQQJO-JKSUJKDBSA-N 2 1 305.466 1.616 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730203 780381634 /nfs/dbraw/zinc/38/16/34/780381634.db2.gz FMPFMUXPEMQQJO-HOTGVXAUSA-N 2 1 305.466 1.616 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001115772978 780418406 /nfs/dbraw/zinc/41/84/06/780418406.db2.gz DNLLQLAZZOGTQT-UHFFFAOYSA-N 2 1 323.481 1.694 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001115773370 780418606 /nfs/dbraw/zinc/41/86/06/780418606.db2.gz ZRIDMHVQPGOXIR-UHFFFAOYSA-N 2 1 309.454 1.303 20 30 DDEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266453084 836275522 /nfs/dbraw/zinc/27/55/22/836275522.db2.gz XMPBTBDICLCQQS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266453084 836275533 /nfs/dbraw/zinc/27/55/33/836275533.db2.gz XMPBTBDICLCQQS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266453084 836275545 /nfs/dbraw/zinc/27/55/45/836275545.db2.gz XMPBTBDICLCQQS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266453084 836275554 /nfs/dbraw/zinc/27/55/54/836275554.db2.gz XMPBTBDICLCQQS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266464792 836300237 /nfs/dbraw/zinc/30/02/37/836300237.db2.gz IPQXWTYZXRSWLB-SJORKVTESA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266571366 836483511 /nfs/dbraw/zinc/48/35/11/836483511.db2.gz QYKQRXNINOSMOV-QGZVFWFLSA-N 2 1 311.445 1.660 20 30 DDEDMP C#CC[NH+](CCC)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266571366 836483515 /nfs/dbraw/zinc/48/35/15/836483515.db2.gz QYKQRXNINOSMOV-QGZVFWFLSA-N 2 1 311.445 1.660 20 30 DDEDMP C#CC[NH+](CCC)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266571366 836483518 /nfs/dbraw/zinc/48/35/18/836483518.db2.gz QYKQRXNINOSMOV-QGZVFWFLSA-N 2 1 311.445 1.660 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001266621419 836550026 /nfs/dbraw/zinc/55/00/26/836550026.db2.gz DNXXZRWRZMHQCE-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001266621419 836550029 /nfs/dbraw/zinc/55/00/29/836550029.db2.gz DNXXZRWRZMHQCE-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCF)C1 ZINC001267104645 837354190 /nfs/dbraw/zinc/35/41/90/837354190.db2.gz SRCZNTTYZCYYHX-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCF)C1 ZINC001267104645 837354201 /nfs/dbraw/zinc/35/42/01/837354201.db2.gz SRCZNTTYZCYYHX-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCF)C1 ZINC001267104645 837354211 /nfs/dbraw/zinc/35/42/11/837354211.db2.gz SRCZNTTYZCYYHX-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCF)C1 ZINC001267104645 837354222 /nfs/dbraw/zinc/35/42/22/837354222.db2.gz SRCZNTTYZCYYHX-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269115317 841225394 /nfs/dbraw/zinc/22/53/94/841225394.db2.gz IEKBXHPCPKUNJU-DOTOQJQBSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001269348725 841549102 /nfs/dbraw/zinc/54/91/02/841549102.db2.gz NCIKQZDEAMCJRP-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001269348725 841549109 /nfs/dbraw/zinc/54/91/09/841549109.db2.gz NCIKQZDEAMCJRP-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269348725 841549114 /nfs/dbraw/zinc/54/91/14/841549114.db2.gz NCIKQZDEAMCJRP-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269785179 842046314 /nfs/dbraw/zinc/04/63/14/842046314.db2.gz LGYBBAABTVIITR-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001270151823 842340184 /nfs/dbraw/zinc/34/01/84/842340184.db2.gz WWXJTHZDECOQMK-KRWDZBQOSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001270192806 842372245 /nfs/dbraw/zinc/37/22/45/842372245.db2.gz DBPRWQIEQGZVJR-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001271639789 843750029 /nfs/dbraw/zinc/75/00/29/843750029.db2.gz MWRTWWLCSCSJLY-ZBFHGGJFSA-N 2 1 320.437 1.078 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001272311589 846024785 /nfs/dbraw/zinc/02/47/85/846024785.db2.gz MMUPSWBMOQSCIW-HZPDHXFCSA-N 2 1 316.449 1.904 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001272722161 846718092 /nfs/dbraw/zinc/71/80/92/846718092.db2.gz YREVHCIUSYWVMQ-ULQDDVLXSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001272722161 846718099 /nfs/dbraw/zinc/71/80/99/846718099.db2.gz YREVHCIUSYWVMQ-ULQDDVLXSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001272888334 847591974 /nfs/dbraw/zinc/59/19/74/847591974.db2.gz VYJUCHCVIZZXSC-GOSISDBHSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248634 848155311 /nfs/dbraw/zinc/15/53/11/848155311.db2.gz FGPHAXWPXSVJCI-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248634 848155313 /nfs/dbraw/zinc/15/53/13/848155313.db2.gz FGPHAXWPXSVJCI-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034248634 848155315 /nfs/dbraw/zinc/15/53/15/848155315.db2.gz FGPHAXWPXSVJCI-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319667 848325577 /nfs/dbraw/zinc/32/55/77/848325577.db2.gz KAVGODQCXSBHOZ-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319667 848325587 /nfs/dbraw/zinc/32/55/87/848325587.db2.gz KAVGODQCXSBHOZ-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319667 848325600 /nfs/dbraw/zinc/32/56/00/848325600.db2.gz KAVGODQCXSBHOZ-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001273146452 848578945 /nfs/dbraw/zinc/57/89/45/848578945.db2.gz MOGZGPQYMFMFQD-SFHVURJKSA-N 2 1 321.465 1.352 20 30 DDEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001273146452 848578954 /nfs/dbraw/zinc/57/89/54/848578954.db2.gz MOGZGPQYMFMFQD-SFHVURJKSA-N 2 1 321.465 1.352 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149860587 861948939 /nfs/dbraw/zinc/94/89/39/861948939.db2.gz IDOMJJBPXYMWFR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860587 861948958 /nfs/dbraw/zinc/94/89/58/861948958.db2.gz IDOMJJBPXYMWFR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860587 861948970 /nfs/dbraw/zinc/94/89/70/861948970.db2.gz IDOMJJBPXYMWFR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001273457371 850843240 /nfs/dbraw/zinc/84/32/40/850843240.db2.gz OYMYPTPZEKTPTM-CABCVRRESA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001273457371 850843249 /nfs/dbraw/zinc/84/32/49/850843249.db2.gz OYMYPTPZEKTPTM-CABCVRRESA-N 2 1 302.422 1.582 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001150334391 862185366 /nfs/dbraw/zinc/18/53/66/862185366.db2.gz VZBYJBZMAJVTKX-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150334391 862185374 /nfs/dbraw/zinc/18/53/74/862185374.db2.gz VZBYJBZMAJVTKX-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150334391 862185378 /nfs/dbraw/zinc/18/53/78/862185378.db2.gz VZBYJBZMAJVTKX-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C[NH+](C)CCC[N@H+]1CCC[C@]2(CCN(CCCC#N)C2=O)CC1 ZINC001273711829 851256770 /nfs/dbraw/zinc/25/67/70/851256770.db2.gz KOUTUWCYTKMEGF-GOSISDBHSA-N 2 1 320.481 1.946 20 30 DDEDMP C=CCC[NH2+]CC1(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001274021114 851858817 /nfs/dbraw/zinc/85/88/17/851858817.db2.gz NFPGNLPZNXDZFU-IYBDPMFKSA-N 2 1 323.481 1.690 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC001275327241 852984712 /nfs/dbraw/zinc/98/47/12/852984712.db2.gz KCVFXYVZTXYHJA-WBVHZDCISA-N 2 1 316.424 1.765 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275425250 853102841 /nfs/dbraw/zinc/10/28/41/853102841.db2.gz MOAOSAXZXDIGNS-KDOFPFPSSA-N 2 1 316.424 1.765 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC001275425250 853102844 /nfs/dbraw/zinc/10/28/44/853102844.db2.gz MOAOSAXZXDIGNS-KDOFPFPSSA-N 2 1 316.424 1.765 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001275883112 853905830 /nfs/dbraw/zinc/90/58/30/853905830.db2.gz YBWLWHGULUWZFH-AWEZNQCLSA-N 2 1 311.389 1.341 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275912725 853931256 /nfs/dbraw/zinc/93/12/56/853931256.db2.gz NNLDEJXROZWDDJ-JYJNAYRXSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275912725 853931259 /nfs/dbraw/zinc/93/12/59/853931259.db2.gz NNLDEJXROZWDDJ-JYJNAYRXSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275912725 853931263 /nfs/dbraw/zinc/93/12/63/853931263.db2.gz NNLDEJXROZWDDJ-JYJNAYRXSA-N 2 1 311.470 1.356 20 30 DDEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276009953 854150966 /nfs/dbraw/zinc/15/09/66/854150966.db2.gz CIXRKTJFLBVCNE-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276009953 854150967 /nfs/dbraw/zinc/15/09/67/854150967.db2.gz CIXRKTJFLBVCNE-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156057668 862683444 /nfs/dbraw/zinc/68/34/44/862683444.db2.gz AFSVDNOKIFYYST-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569317 856990499 /nfs/dbraw/zinc/99/04/99/856990499.db2.gz YKWMNQHSGVAFCC-HZPDHXFCSA-N 2 1 303.450 1.866 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850508 857799402 /nfs/dbraw/zinc/79/94/02/857799402.db2.gz ZXAAREYYABHOQS-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850508 857799411 /nfs/dbraw/zinc/79/94/11/857799411.db2.gz ZXAAREYYABHOQS-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850508 857799419 /nfs/dbraw/zinc/79/94/19/857799419.db2.gz ZXAAREYYABHOQS-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050413 858048930 /nfs/dbraw/zinc/04/89/30/858048930.db2.gz YWLCFJQKJIPHAJ-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050413 858048936 /nfs/dbraw/zinc/04/89/36/858048936.db2.gz YWLCFJQKJIPHAJ-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050413 858048940 /nfs/dbraw/zinc/04/89/40/858048940.db2.gz YWLCFJQKJIPHAJ-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073462159 858357370 /nfs/dbraw/zinc/35/73/70/858357370.db2.gz NELLVIFFDNTHHS-MRXNPFEDSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599549 858473764 /nfs/dbraw/zinc/47/37/64/858473764.db2.gz HMAUZIRBDNFZJD-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599549 858473771 /nfs/dbraw/zinc/47/37/71/858473771.db2.gz HMAUZIRBDNFZJD-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599549 858473774 /nfs/dbraw/zinc/47/37/74/858473774.db2.gz HMAUZIRBDNFZJD-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001121915737 858632474 /nfs/dbraw/zinc/63/24/74/858632474.db2.gz NOPCNXSHDKHEAW-UHFFFAOYSA-N 2 1 314.433 1.622 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276969349 881374035 /nfs/dbraw/zinc/37/40/35/881374035.db2.gz BSIBOWPTQKOYDC-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344338 861022368 /nfs/dbraw/zinc/02/23/68/861022368.db2.gz AGVFVCCEUWFZCD-OAHLLOKOSA-N 2 1 316.449 1.612 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154344338 861022380 /nfs/dbraw/zinc/02/23/80/861022380.db2.gz AGVFVCCEUWFZCD-OAHLLOKOSA-N 2 1 316.449 1.612 20 30 DDEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001329763924 863838198 /nfs/dbraw/zinc/83/81/98/863838198.db2.gz BJBMDOPAEUEDKY-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCOCC=C ZINC001153864586 864177365 /nfs/dbraw/zinc/17/73/65/864177365.db2.gz YYJPAOOLOTZPQR-SJORKVTESA-N 2 1 321.465 1.113 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCOCC=C ZINC001153864586 864177375 /nfs/dbraw/zinc/17/73/75/864177375.db2.gz YYJPAOOLOTZPQR-SJORKVTESA-N 2 1 321.465 1.113 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOCC=C ZINC001153864586 864177382 /nfs/dbraw/zinc/17/73/82/864177382.db2.gz YYJPAOOLOTZPQR-SJORKVTESA-N 2 1 321.465 1.113 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOCC=C ZINC001153864586 864177390 /nfs/dbraw/zinc/17/73/90/864177390.db2.gz YYJPAOOLOTZPQR-SJORKVTESA-N 2 1 321.465 1.113 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001330467211 864372184 /nfs/dbraw/zinc/37/21/84/864372184.db2.gz MIPUPICRIUFMNK-ULQDDVLXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001330609969 864484838 /nfs/dbraw/zinc/48/48/38/864484838.db2.gz KQVZLUHPNKEQQE-ULQDDVLXSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CC2)C1 ZINC001330609969 864484844 /nfs/dbraw/zinc/48/48/44/864484844.db2.gz KQVZLUHPNKEQQE-ULQDDVLXSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120785 865685781 /nfs/dbraw/zinc/68/57/81/865685781.db2.gz RHRNQRVXLVTUMR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120785 865685790 /nfs/dbraw/zinc/68/57/90/865685790.db2.gz RHRNQRVXLVTUMR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120785 865685795 /nfs/dbraw/zinc/68/57/95/865685795.db2.gz RHRNQRVXLVTUMR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC(F)(F)C1 ZINC001160209837 865731489 /nfs/dbraw/zinc/73/14/89/865731489.db2.gz YHEZHEZBMFJRED-AWEZNQCLSA-N 2 1 313.392 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC(F)(F)C1 ZINC001160209837 865731494 /nfs/dbraw/zinc/73/14/94/865731494.db2.gz YHEZHEZBMFJRED-AWEZNQCLSA-N 2 1 313.392 1.225 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160292049 865766294 /nfs/dbraw/zinc/76/62/94/865766294.db2.gz LHNKZOGLKNCFNB-MRXNPFEDSA-N 2 1 309.429 1.438 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001323047469 866293450 /nfs/dbraw/zinc/29/34/50/866293450.db2.gz OPHDHHXIZCZXQT-SJORKVTESA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C1CC1 ZINC001323095446 866335366 /nfs/dbraw/zinc/33/53/66/866335366.db2.gz XRRPYUWIPMIAMZ-MSOLQXFVSA-N 2 1 313.445 1.797 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220238 866451392 /nfs/dbraw/zinc/45/13/92/866451392.db2.gz ZOTXCDHAXRIRMM-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161220238 866451397 /nfs/dbraw/zinc/45/13/97/866451397.db2.gz ZOTXCDHAXRIRMM-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001161220238 866451400 /nfs/dbraw/zinc/45/14/00/866451400.db2.gz ZOTXCDHAXRIRMM-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161734112 866944581 /nfs/dbraw/zinc/94/45/81/866944581.db2.gz SETKQHSTUZXWAN-UHFFFAOYSA-N 2 1 305.466 1.880 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCF)CC1 ZINC001324386955 867249942 /nfs/dbraw/zinc/24/99/42/867249942.db2.gz OCINNXXXZHMKAM-KRWDZBQOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCF)CC1 ZINC001324386955 867249954 /nfs/dbraw/zinc/24/99/54/867249954.db2.gz OCINNXXXZHMKAM-KRWDZBQOSA-N 2 1 323.456 1.755 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001321391547 867556619 /nfs/dbraw/zinc/55/66/19/867556619.db2.gz GLWQRAMXXXTWBS-BAHPRDJBSA-N 2 1 312.417 1.272 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001325055743 867727134 /nfs/dbraw/zinc/72/71/34/867727134.db2.gz VBDMAUWSKIIQTO-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001325055743 867727139 /nfs/dbraw/zinc/72/71/39/867727139.db2.gz VBDMAUWSKIIQTO-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001325055743 867727148 /nfs/dbraw/zinc/72/71/48/867727148.db2.gz VBDMAUWSKIIQTO-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001325055743 867727154 /nfs/dbraw/zinc/72/71/54/867727154.db2.gz VBDMAUWSKIIQTO-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001322851552 868423635 /nfs/dbraw/zinc/42/36/35/868423635.db2.gz AECUFLZLPRTBKD-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316992986 870088737 /nfs/dbraw/zinc/08/87/37/870088737.db2.gz WLTCKBPJALULLF-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316992986 870088745 /nfs/dbraw/zinc/08/87/45/870088745.db2.gz WLTCKBPJALULLF-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316992986 870088754 /nfs/dbraw/zinc/08/87/54/870088754.db2.gz WLTCKBPJALULLF-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316992986 870088762 /nfs/dbraw/zinc/08/87/62/870088762.db2.gz WLTCKBPJALULLF-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317214232 870482885 /nfs/dbraw/zinc/48/28/85/870482885.db2.gz DNEKDUMHTUPZLI-JLOCXQCDSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)C12CCC2 ZINC001203442151 870562491 /nfs/dbraw/zinc/56/24/91/870562491.db2.gz JROXJECXOGAIJH-LSDHHAIUSA-N 2 1 302.422 1.935 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317429525 870814856 /nfs/dbraw/zinc/81/48/56/870814856.db2.gz IYLCKWXGLVAUEV-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317429525 870814869 /nfs/dbraw/zinc/81/48/69/870814869.db2.gz IYLCKWXGLVAUEV-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317429525 870814877 /nfs/dbraw/zinc/81/48/77/870814877.db2.gz IYLCKWXGLVAUEV-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001317176204 870946961 /nfs/dbraw/zinc/94/69/61/870946961.db2.gz LDOXNNBMCLJAOW-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317535955 871017451 /nfs/dbraw/zinc/01/74/51/871017451.db2.gz LGHDEWIULZKAGN-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001316849277 872163440 /nfs/dbraw/zinc/16/34/40/872163440.db2.gz IXFIKHYRXAADDP-MSOLQXFVSA-N 2 1 313.445 1.403 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001316849277 872163449 /nfs/dbraw/zinc/16/34/49/872163449.db2.gz IXFIKHYRXAADDP-MSOLQXFVSA-N 2 1 313.445 1.403 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001316849277 872163458 /nfs/dbraw/zinc/16/34/58/872163458.db2.gz IXFIKHYRXAADDP-MSOLQXFVSA-N 2 1 313.445 1.403 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC#CCOC ZINC001316882741 872200760 /nfs/dbraw/zinc/20/07/60/872200760.db2.gz UUEZYWFDGHNAFS-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CC#CCOC)C1 ZINC001318846328 872302336 /nfs/dbraw/zinc/30/23/36/872302336.db2.gz SNLFMWSREIKQMR-KRWDZBQOSA-N 2 1 323.481 1.196 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001319111519 872443505 /nfs/dbraw/zinc/44/35/05/872443505.db2.gz IQIOGEXEIQCCRA-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001319247373 872517649 /nfs/dbraw/zinc/51/76/49/872517649.db2.gz VYTZMSCZDZOUTB-DZGCQCFKSA-N 2 1 302.422 1.119 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206930234 872791472 /nfs/dbraw/zinc/79/14/72/872791472.db2.gz YTXRSWIIRUYDOG-UHFFFAOYSA-N 2 1 310.829 1.772 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208466565 874166999 /nfs/dbraw/zinc/16/69/99/874166999.db2.gz BEYWUAJKRKQRJU-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208738408 874432035 /nfs/dbraw/zinc/43/20/35/874432035.db2.gz CSTSSJWGMANTKZ-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039626 875635367 /nfs/dbraw/zinc/63/53/67/875635367.db2.gz SEKKNDVBOBSASS-IIAWOOMASA-N 2 1 304.438 1.983 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039626 875635376 /nfs/dbraw/zinc/63/53/76/875635376.db2.gz SEKKNDVBOBSASS-IIAWOOMASA-N 2 1 304.438 1.983 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211176682 875696951 /nfs/dbraw/zinc/69/69/51/875696951.db2.gz NCCAHZJVKSFJFJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176682 875696957 /nfs/dbraw/zinc/69/69/57/875696957.db2.gz NCCAHZJVKSFJFJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593059 875988146 /nfs/dbraw/zinc/98/81/46/875988146.db2.gz NATVJQJCKINKIV-BRWVUGGUSA-N 2 1 323.481 1.192 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213613878 875996784 /nfs/dbraw/zinc/99/67/84/875996784.db2.gz DUEKHEDVMIFSMG-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001213613878 875996792 /nfs/dbraw/zinc/99/67/92/875996792.db2.gz DUEKHEDVMIFSMG-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855651 876482199 /nfs/dbraw/zinc/48/21/99/876482199.db2.gz JVLIGMLFMYODOT-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490947 876957606 /nfs/dbraw/zinc/95/76/06/876957606.db2.gz XXWJFPWJIWOFRZ-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219002944 877867217 /nfs/dbraw/zinc/86/72/17/877867217.db2.gz KKDFADNBYAJOJF-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219002944 877867222 /nfs/dbraw/zinc/86/72/22/877867222.db2.gz KKDFADNBYAJOJF-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219002944 877867229 /nfs/dbraw/zinc/86/72/29/877867229.db2.gz KKDFADNBYAJOJF-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802229 878522822 /nfs/dbraw/zinc/52/28/22/878522822.db2.gz JDRODAYMYYBZRO-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220830821 879297717 /nfs/dbraw/zinc/29/77/17/879297717.db2.gz JOXYBPYFCYNXPE-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220830821 879297730 /nfs/dbraw/zinc/29/77/30/879297730.db2.gz JOXYBPYFCYNXPE-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220830821 879297749 /nfs/dbraw/zinc/29/77/49/879297749.db2.gz JOXYBPYFCYNXPE-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001220868116 879330754 /nfs/dbraw/zinc/33/07/54/879330754.db2.gz BQYGKZJQJJPVDT-HOTGVXAUSA-N 2 1 302.422 1.025 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001220868116 879330773 /nfs/dbraw/zinc/33/07/73/879330773.db2.gz BQYGKZJQJJPVDT-HOTGVXAUSA-N 2 1 302.422 1.025 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([C@@H]([NH3+])CN)cc1 ZINC001220868116 879330794 /nfs/dbraw/zinc/33/07/94/879330794.db2.gz BQYGKZJQJJPVDT-HOTGVXAUSA-N 2 1 302.422 1.025 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522250 880989765 /nfs/dbraw/zinc/98/97/65/880989765.db2.gz ODKDFLIPQUKGKG-SJORKVTESA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522250 880989773 /nfs/dbraw/zinc/98/97/73/880989773.db2.gz ODKDFLIPQUKGKG-SJORKVTESA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522250 880989777 /nfs/dbraw/zinc/98/97/77/880989777.db2.gz ODKDFLIPQUKGKG-SJORKVTESA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001277654685 886334104 /nfs/dbraw/zinc/33/41/04/886334104.db2.gz BUVJQSWZEZIBFD-ROUUACIJSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001277654685 886334124 /nfs/dbraw/zinc/33/41/24/886334124.db2.gz BUVJQSWZEZIBFD-ROUUACIJSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001278467723 892926239 /nfs/dbraw/zinc/92/62/39/892926239.db2.gz UJRSFWRXRBISJK-PKOBYXMFSA-N 2 1 317.477 1.999 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(C#N)c1F ZINC001249679190 894102179 /nfs/dbraw/zinc/10/21/79/894102179.db2.gz PRCIZIBUILDREU-DLBZAZTESA-N 2 1 316.424 1.908 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC001251707613 894785322 /nfs/dbraw/zinc/78/53/22/894785322.db2.gz AINRBGKYEPCPKL-UHFFFAOYSA-N 2 1 314.433 1.077 20 30 DDEDMP CC#CC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001278650711 895034899 /nfs/dbraw/zinc/03/48/99/895034899.db2.gz HYMNNUJNPUNMPM-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001252596323 895298193 /nfs/dbraw/zinc/29/81/93/895298193.db2.gz PGJMTOXZGSEFRD-JZXOWHBKSA-N 2 1 301.434 1.772 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001253583183 895916276 /nfs/dbraw/zinc/91/62/76/895916276.db2.gz YTPINKPDOWITJZ-GOSISDBHSA-N 2 1 316.445 1.900 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367772855 897736812 /nfs/dbraw/zinc/73/68/12/897736812.db2.gz VFGGAKNJZJJXAP-RYUDHWBXSA-N 2 1 306.435 1.166 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264077294 900913871 /nfs/dbraw/zinc/91/38/71/900913871.db2.gz XLHMXZXTLNJMDB-JKSUJKDBSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266206894 903108328 /nfs/dbraw/zinc/10/83/28/903108328.db2.gz BSCQMVKGVTUNIU-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266206894 903108338 /nfs/dbraw/zinc/10/83/38/903108338.db2.gz BSCQMVKGVTUNIU-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266206894 903108351 /nfs/dbraw/zinc/10/83/51/903108351.db2.gz BSCQMVKGVTUNIU-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266206894 903108366 /nfs/dbraw/zinc/10/83/66/903108366.db2.gz BSCQMVKGVTUNIU-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001279646340 903367069 /nfs/dbraw/zinc/36/70/69/903367069.db2.gz ZTMLBQUNKMOALA-HNNXBMFYSA-N 2 1 300.406 1.606 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001280726957 903958190 /nfs/dbraw/zinc/95/81/90/903958190.db2.gz KGWNKLUYTLYNHG-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001280726957 903958201 /nfs/dbraw/zinc/95/82/01/903958201.db2.gz KGWNKLUYTLYNHG-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001280726957 903958209 /nfs/dbraw/zinc/95/82/09/903958209.db2.gz KGWNKLUYTLYNHG-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001280726957 903958221 /nfs/dbraw/zinc/95/82/21/903958221.db2.gz KGWNKLUYTLYNHG-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC#Cc1ccccc1 ZINC001282449940 905793733 /nfs/dbraw/zinc/79/37/33/905793733.db2.gz QOHIYWUAGVPSPY-MRXNPFEDSA-N 2 1 301.434 1.426 20 30 DDEDMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC#Cc1ccccc1 ZINC001282449940 905793736 /nfs/dbraw/zinc/79/37/36/905793736.db2.gz QOHIYWUAGVPSPY-MRXNPFEDSA-N 2 1 301.434 1.426 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001316621878 906017325 /nfs/dbraw/zinc/01/73/25/906017325.db2.gz UKLBRMCCXUGEEU-YESZJQIVSA-N 2 1 305.466 1.616 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001393164298 906368012 /nfs/dbraw/zinc/36/80/12/906368012.db2.gz RMUHARJGXQLETQ-OAHLLOKOSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)CCO3)CCC[C@@H]12 ZINC001284045141 908377693 /nfs/dbraw/zinc/37/76/93/908377693.db2.gz MVAURLXAFNLDLX-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001376526589 918690228 /nfs/dbraw/zinc/69/02/28/918690228.db2.gz JGHQHDBWPFPYFP-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001376526589 918690241 /nfs/dbraw/zinc/69/02/41/918690241.db2.gz JGHQHDBWPFPYFP-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001376526589 918690256 /nfs/dbraw/zinc/69/02/56/918690256.db2.gz JGHQHDBWPFPYFP-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001376526589 918690264 /nfs/dbraw/zinc/69/02/64/918690264.db2.gz JGHQHDBWPFPYFP-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)C#N)CC2)CC1 ZINC000584849598 354783890 /nfs/dbraw/zinc/78/38/90/354783890.db2.gz IZUHTMSJLKXRSZ-AWEZNQCLSA-N 2 1 306.454 1.459 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000594440273 356215815 /nfs/dbraw/zinc/21/58/15/356215815.db2.gz BKQHCAOPDSLPSW-KRWDZBQOSA-N 2 1 314.433 1.572 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000594440273 356215816 /nfs/dbraw/zinc/21/58/16/356215816.db2.gz BKQHCAOPDSLPSW-KRWDZBQOSA-N 2 1 314.433 1.572 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1c(C#N)nnc2ccccc21 ZINC000596425147 356874940 /nfs/dbraw/zinc/87/49/40/356874940.db2.gz MSSXWUDECJXVCB-UHFFFAOYSA-N 2 1 312.421 1.797 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1c(C#N)nnc2ccccc21 ZINC000596425147 356874947 /nfs/dbraw/zinc/87/49/47/356874947.db2.gz MSSXWUDECJXVCB-UHFFFAOYSA-N 2 1 312.421 1.797 20 30 DDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000599320198 357892284 /nfs/dbraw/zinc/89/22/84/357892284.db2.gz RDPLSAITMRAQFA-BRWVUGGUSA-N 2 1 321.465 1.474 20 30 DDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000599320198 357892286 /nfs/dbraw/zinc/89/22/86/357892286.db2.gz RDPLSAITMRAQFA-BRWVUGGUSA-N 2 1 321.465 1.474 20 30 DDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000599320198 357892287 /nfs/dbraw/zinc/89/22/87/357892287.db2.gz RDPLSAITMRAQFA-BRWVUGGUSA-N 2 1 321.465 1.474 20 30 DDEDMP N#Cc1cccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000600973873 358364264 /nfs/dbraw/zinc/36/42/64/358364264.db2.gz ZNAPZISLKQZCRN-UHFFFAOYSA-N 2 1 310.405 1.164 20 30 DDEDMP CC(C)(C#N)C[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846816 359233347 /nfs/dbraw/zinc/23/33/47/359233347.db2.gz HPENRTCFWHJUFS-INIZCTEOSA-N 2 1 302.422 1.894 20 30 DDEDMP COc1ccccc1[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424134599 532972482 /nfs/dbraw/zinc/97/24/82/532972482.db2.gz KWDLWCMTBZVBCJ-HUUCEWRRSA-N 2 1 318.421 1.435 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000046518150 407061145 /nfs/dbraw/zinc/06/11/45/407061145.db2.gz AZPOCNFACCEJFT-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000046518150 407061148 /nfs/dbraw/zinc/06/11/48/407061148.db2.gz AZPOCNFACCEJFT-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000093819790 407202039 /nfs/dbraw/zinc/20/20/39/407202039.db2.gz ANPNDAIKSFZWPE-UHFFFAOYSA-N 2 1 313.449 1.606 20 30 DDEDMP C#CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCCC1 ZINC000093819790 407202041 /nfs/dbraw/zinc/20/20/41/407202041.db2.gz ANPNDAIKSFZWPE-UHFFFAOYSA-N 2 1 313.449 1.606 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)[nH]1 ZINC000121255452 408169601 /nfs/dbraw/zinc/16/96/01/408169601.db2.gz RSZCXIFFSCKIII-HNNXBMFYSA-N 2 1 317.437 1.374 20 30 DDEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268810018 408202211 /nfs/dbraw/zinc/20/22/11/408202211.db2.gz DOFKOLKMTDJIBF-WBVHZDCISA-N 2 1 302.418 1.806 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158995651 408375186 /nfs/dbraw/zinc/37/51/86/408375186.db2.gz BDDKABPONCFQPF-LHHMISFZSA-N 2 1 320.481 1.845 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247975003 408523619 /nfs/dbraw/zinc/52/36/19/408523619.db2.gz KRIRZLSJKAGDTH-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C#CCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000289503293 409280563 /nfs/dbraw/zinc/28/05/63/409280563.db2.gz TVYBAGPSTSXXRO-UHFFFAOYSA-N 2 1 315.461 1.768 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000294998524 409307055 /nfs/dbraw/zinc/30/70/55/409307055.db2.gz LWUYPCXDKAAMAJ-MRXNPFEDSA-N 2 1 301.434 1.973 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000294998524 409307059 /nfs/dbraw/zinc/30/70/59/409307059.db2.gz LWUYPCXDKAAMAJ-MRXNPFEDSA-N 2 1 301.434 1.973 20 30 DDEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCC#N)CC1)CC1CC1 ZINC000357083785 409855072 /nfs/dbraw/zinc/85/50/72/409855072.db2.gz KNNKQHBRJFTEQL-UHFFFAOYSA-N 2 1 306.454 1.460 20 30 DDEDMP C=CCOc1ccccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352525368 410661693 /nfs/dbraw/zinc/66/16/93/410661693.db2.gz FZCMMFRPDIDHSG-QGZVFWFLSA-N 2 1 301.434 1.731 20 30 DDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000344226719 411041057 /nfs/dbraw/zinc/04/10/57/411041057.db2.gz XCXJKFLKUCQWTF-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC000360338118 411129007 /nfs/dbraw/zinc/12/90/07/411129007.db2.gz OXVJCQQTNZOCAV-GDBMZVCRSA-N 2 1 300.406 1.126 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC000360338118 411129008 /nfs/dbraw/zinc/12/90/08/411129008.db2.gz OXVJCQQTNZOCAV-GDBMZVCRSA-N 2 1 300.406 1.126 20 30 DDEDMP C=C(C)CN(CC)C(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360926907 418548297 /nfs/dbraw/zinc/54/82/97/418548297.db2.gz LAQDZKICTARUGD-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261980754 222266100 /nfs/dbraw/zinc/26/61/00/222266100.db2.gz OVLNTBWKYLXDDS-UKRRQHHQSA-N 2 1 308.470 1.329 20 30 DDEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261656805 222252758 /nfs/dbraw/zinc/25/27/58/222252758.db2.gz AEPPFABDAFACOP-QMTHXVAHSA-N 2 1 321.494 1.908 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC(OCC2CC2)CC1 ZINC000261863279 222260305 /nfs/dbraw/zinc/26/03/05/222260305.db2.gz ZPNMYGIXQGXRPX-HNNXBMFYSA-N 2 1 308.470 1.405 20 30 DDEDMP CNC(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000264324854 222330958 /nfs/dbraw/zinc/33/09/58/222330958.db2.gz YPGQVFNXINFQMC-UHFFFAOYSA-N 2 1 320.437 1.210 20 30 DDEDMP COc1ccc(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000262485206 222282855 /nfs/dbraw/zinc/28/28/55/222282855.db2.gz UDFSAANTYQZCIR-GFCCVEGCSA-N 2 1 315.377 1.642 20 30 DDEDMP C=CC[NH+]1CCC(Nc2nc(N[C@H]3CCCOC3)cc[nH+]2)CC1 ZINC000333177445 418616140 /nfs/dbraw/zinc/61/61/40/418616140.db2.gz RNASWGVJQYQRJL-HNNXBMFYSA-N 2 1 317.437 2.130 20 30 DDEDMP CCCCNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264081434 222313797 /nfs/dbraw/zinc/31/37/97/222313797.db2.gz HLGBTYTXBVTEIF-INIZCTEOSA-N 2 1 304.438 1.110 20 30 DDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccc(OC)cc2)C1 ZINC000264099037 222316953 /nfs/dbraw/zinc/31/69/53/222316953.db2.gz NPPXOFSMEQCUSF-OAHLLOKOSA-N 2 1 304.438 1.484 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(F)cc(F)c1 ZINC000264119644 222320529 /nfs/dbraw/zinc/32/05/29/222320529.db2.gz UNKVKMWZJKOJSC-HNNXBMFYSA-N 2 1 310.392 1.896 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000491638009 421200446 /nfs/dbraw/zinc/20/04/46/421200446.db2.gz VGZGXZLADBJFIT-INIZCTEOSA-N 2 1 306.454 1.211 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000527299604 421375571 /nfs/dbraw/zinc/37/55/71/421375571.db2.gz AMRKDJVWGFEHBF-OAHLLOKOSA-N 2 1 318.465 1.745 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000530335792 421594807 /nfs/dbraw/zinc/59/48/07/421594807.db2.gz XBJMPYDYBBDGIE-RBSFLKMASA-N 2 1 315.421 1.717 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000530335792 421594810 /nfs/dbraw/zinc/59/48/10/421594810.db2.gz XBJMPYDYBBDGIE-RBSFLKMASA-N 2 1 315.421 1.717 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000530334792 421595255 /nfs/dbraw/zinc/59/52/55/421595255.db2.gz WQLDPYPYUCUWPO-LSDHHAIUSA-N 2 1 306.454 1.744 20 30 DDEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC[C@@H]1CCCC[NH+]1C ZINC000535545245 421706526 /nfs/dbraw/zinc/70/65/26/421706526.db2.gz FNEDCRMYXHCVBI-ZDUSSCGKSA-N 2 1 304.442 1.602 20 30 DDEDMP C[NH+](CCCc1[nH]nc(N)c1C#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000535545245 421706533 /nfs/dbraw/zinc/70/65/33/421706533.db2.gz FNEDCRMYXHCVBI-ZDUSSCGKSA-N 2 1 304.442 1.602 20 30 DDEDMP C[NH+](CCCc1[nH]nc(N)c1C#N)CC[C@@H]1CCCC[N@H+]1C ZINC000535545245 421706535 /nfs/dbraw/zinc/70/65/35/421706535.db2.gz FNEDCRMYXHCVBI-ZDUSSCGKSA-N 2 1 304.442 1.602 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634718268 422582837 /nfs/dbraw/zinc/58/28/37/422582837.db2.gz ZKYDLKXHYFVCMX-GBESFXJTSA-N 2 1 316.445 1.804 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718268 422582845 /nfs/dbraw/zinc/58/28/45/422582845.db2.gz ZKYDLKXHYFVCMX-GBESFXJTSA-N 2 1 316.445 1.804 20 30 DDEDMP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000330240435 276222232 /nfs/dbraw/zinc/22/22/32/276222232.db2.gz BLAIGPWYTYGZQC-KFWWJZLASA-N 2 1 319.453 1.917 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000330240435 276222233 /nfs/dbraw/zinc/22/22/33/276222233.db2.gz BLAIGPWYTYGZQC-KFWWJZLASA-N 2 1 319.453 1.917 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCO1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000261674869 276844314 /nfs/dbraw/zinc/84/43/14/276844314.db2.gz CLEKVCMBDRESIG-GJZGRUSLSA-N 2 1 314.499 1.158 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000520708304 336028568 /nfs/dbraw/zinc/02/85/68/336028568.db2.gz NDGAHRRLFFXQEZ-OAHLLOKOSA-N 2 1 308.470 1.666 20 30 DDEDMP C=CC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCC[NH2+]1 ZINC000663002312 484593641 /nfs/dbraw/zinc/59/36/41/484593641.db2.gz CZDVNOZNRZPIGN-FUHWJXTLSA-N 2 1 305.466 1.923 20 30 DDEDMP CCO[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000671241110 484979468 /nfs/dbraw/zinc/97/94/68/484979468.db2.gz SOZVDKYACAUZPB-QZTJIDSGSA-N 2 1 308.466 1.992 20 30 DDEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1=O ZINC000337211228 526513937 /nfs/dbraw/zinc/51/39/37/526513937.db2.gz URHZZTSCTUHZFL-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1=O ZINC000337211228 526513942 /nfs/dbraw/zinc/51/39/42/526513942.db2.gz URHZZTSCTUHZFL-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000347026077 526595897 /nfs/dbraw/zinc/59/58/97/526595897.db2.gz GFFIHWZOJMJSDC-INIZCTEOSA-N 2 1 324.469 1.047 20 30 DDEDMP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330218909 528251162 /nfs/dbraw/zinc/25/11/62/528251162.db2.gz JVJVJLLBFJVBBY-HZPDHXFCSA-N 2 1 309.454 1.663 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980211613 696709162 /nfs/dbraw/zinc/70/91/62/696709162.db2.gz GWPYQKHCWKIDBH-GVDBMIGSSA-N 2 1 315.461 1.322 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980238332 696715722 /nfs/dbraw/zinc/71/57/22/696715722.db2.gz KADDSMIKIJZYDX-BBWFWOEESA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980238332 696715726 /nfs/dbraw/zinc/71/57/26/696715726.db2.gz KADDSMIKIJZYDX-BBWFWOEESA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000971832950 695105813 /nfs/dbraw/zinc/10/58/13/695105813.db2.gz NSVAWYZBJTXFFM-ZDUSSCGKSA-N 2 1 306.410 1.459 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000971832950 695105817 /nfs/dbraw/zinc/10/58/17/695105817.db2.gz NSVAWYZBJTXFFM-ZDUSSCGKSA-N 2 1 306.410 1.459 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971953261 695129297 /nfs/dbraw/zinc/12/92/97/695129297.db2.gz RKVWANMSQBSAKY-CQSZACIVSA-N 2 1 302.422 1.481 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971953261 695129299 /nfs/dbraw/zinc/12/92/99/695129299.db2.gz RKVWANMSQBSAKY-CQSZACIVSA-N 2 1 302.422 1.481 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577816 695689135 /nfs/dbraw/zinc/68/91/35/695689135.db2.gz NUZLSWPOHPWMOG-JKSUJKDBSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112223 695797086 /nfs/dbraw/zinc/79/70/86/695797086.db2.gz RFPGDYCVHYDCLI-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112223 695797088 /nfs/dbraw/zinc/79/70/88/695797088.db2.gz RFPGDYCVHYDCLI-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977211118 696075013 /nfs/dbraw/zinc/07/50/13/696075013.db2.gz CHSVJBIWBDNMBT-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622054 696237958 /nfs/dbraw/zinc/23/79/58/696237958.db2.gz NGPMQGRBPIJPFI-QGZVFWFLSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622054 696237960 /nfs/dbraw/zinc/23/79/60/696237960.db2.gz NGPMQGRBPIJPFI-QGZVFWFLSA-N 2 1 313.445 1.822 20 30 DDEDMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NCC1CCC1 ZINC000104156930 696618579 /nfs/dbraw/zinc/61/85/79/696618579.db2.gz FJLILTWLJUZWPC-UHFFFAOYSA-N 2 1 316.449 1.723 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC3CC3)C2)CC1 ZINC000980479392 696783206 /nfs/dbraw/zinc/78/32/06/696783206.db2.gz VNOINVLAWIQQKN-KRWDZBQOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CNC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000751012517 700265072 /nfs/dbraw/zinc/26/50/72/700265072.db2.gz VORHISCCDAIBFH-HNNXBMFYSA-N 2 1 312.527 1.785 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981767740 696908892 /nfs/dbraw/zinc/90/88/92/696908892.db2.gz VBXCJUCHZMOVPX-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981767740 696908895 /nfs/dbraw/zinc/90/88/95/696908895.db2.gz VBXCJUCHZMOVPX-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981767740 696908898 /nfs/dbraw/zinc/90/88/98/696908898.db2.gz VBXCJUCHZMOVPX-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772044 696910515 /nfs/dbraw/zinc/91/05/15/696910515.db2.gz KZKWFDJUHOFCMQ-QGZVFWFLSA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081302 697024929 /nfs/dbraw/zinc/02/49/29/697024929.db2.gz OHNFOQUHOLMLAJ-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081302 697024930 /nfs/dbraw/zinc/02/49/30/697024930.db2.gz OHNFOQUHOLMLAJ-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176203 697026078 /nfs/dbraw/zinc/02/60/78/697026078.db2.gz PFQMFKJLJHOCOA-KRWDZBQOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554532 697149645 /nfs/dbraw/zinc/14/96/45/697149645.db2.gz YSXKTWNNQKRHPN-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554532 697149646 /nfs/dbraw/zinc/14/96/46/697149646.db2.gz YSXKTWNNQKRHPN-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982554532 697149647 /nfs/dbraw/zinc/14/96/47/697149647.db2.gz YSXKTWNNQKRHPN-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP CNC(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)=[NH+]C ZINC000303269111 698604528 /nfs/dbraw/zinc/60/45/28/698604528.db2.gz ZVWWXHRNUCABPA-UHFFFAOYSA-N 2 1 323.872 1.647 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000303772884 698606502 /nfs/dbraw/zinc/60/65/02/698606502.db2.gz DUHZCLDHYSRQBI-IRXDYDNUSA-N 3 1 323.529 1.886 20 30 DDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303788681 698606840 /nfs/dbraw/zinc/60/68/40/698606840.db2.gz UMPCOLIVEORWNG-CQSZACIVSA-N 2 1 324.494 1.552 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(F)cc1 ZINC000304813965 698625545 /nfs/dbraw/zinc/62/55/45/698625545.db2.gz ZITFGHURJSYMOQ-ZFWWWQNUSA-N 2 1 322.428 1.982 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716701446 699283964 /nfs/dbraw/zinc/28/39/64/699283964.db2.gz QJIDJDMQCAPFIF-KSZLIROESA-N 2 1 313.445 1.931 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716701446 699283967 /nfs/dbraw/zinc/28/39/67/699283967.db2.gz QJIDJDMQCAPFIF-KSZLIROESA-N 2 1 313.445 1.931 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000764521315 700975068 /nfs/dbraw/zinc/97/50/68/700975068.db2.gz FDNKNIIKXXAIBD-HOCLYGCPSA-N 2 1 311.470 1.357 20 30 DDEDMP c1ccc(C[N@@H+]2C[C@@H]3CCCC(N=NC4=[NH+]CCN4)[C@@H]3C2)cc1 ZINC000841662029 702523411 /nfs/dbraw/zinc/52/34/11/702523411.db2.gz VKIIUNLBKHQVIU-JKSUJKDBSA-N 2 1 311.433 1.823 20 30 DDEDMP c1ccc(C[N@H+]2C[C@@H]3CCCC(N=NC4=[NH+]CCN4)[C@@H]3C2)cc1 ZINC000841662029 702523415 /nfs/dbraw/zinc/52/34/15/702523415.db2.gz VKIIUNLBKHQVIU-JKSUJKDBSA-N 2 1 311.433 1.823 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000852360452 704023862 /nfs/dbraw/zinc/02/38/62/704023862.db2.gz ZQQIVGLSCBHNFH-UHFFFAOYSA-N 2 1 320.481 1.363 20 30 DDEDMP C#CC[N@H+](C)CCCNCc1cnc(N2CCOCC2)s1 ZINC000821212735 704381318 /nfs/dbraw/zinc/38/13/18/704381318.db2.gz GWFUEONIRSXUTP-UHFFFAOYSA-N 2 1 308.451 1.024 20 30 DDEDMP C#CC[N@@H+](C)CCCNCc1cnc(N2CCOCC2)s1 ZINC000821212735 704381321 /nfs/dbraw/zinc/38/13/21/704381321.db2.gz GWFUEONIRSXUTP-UHFFFAOYSA-N 2 1 308.451 1.024 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000876723099 705839371 /nfs/dbraw/zinc/83/93/71/705839371.db2.gz NEAOUTQRBISQPL-OAHLLOKOSA-N 2 1 307.825 1.631 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000876723099 705839375 /nfs/dbraw/zinc/83/93/75/705839375.db2.gz NEAOUTQRBISQPL-OAHLLOKOSA-N 2 1 307.825 1.631 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876882991 705907239 /nfs/dbraw/zinc/90/72/39/705907239.db2.gz XDTHSWBUFWZBKZ-XQQFMLRXSA-N 2 1 303.834 1.024 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876882991 705907243 /nfs/dbraw/zinc/90/72/43/705907243.db2.gz XDTHSWBUFWZBKZ-XQQFMLRXSA-N 2 1 303.834 1.024 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000834495171 707070957 /nfs/dbraw/zinc/07/09/57/707070957.db2.gz SRMBVFBMINKWSF-GVDBMIGSSA-N 2 1 312.417 1.126 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000884065599 708123925 /nfs/dbraw/zinc/12/39/25/708123925.db2.gz TTWSHGGDUIDQSQ-KRWDZBQOSA-N 2 1 318.465 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000884065599 708123928 /nfs/dbraw/zinc/12/39/28/708123928.db2.gz TTWSHGGDUIDQSQ-KRWDZBQOSA-N 2 1 318.465 1.258 20 30 DDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1CCCC[C@H]1C ZINC000884188616 708179157 /nfs/dbraw/zinc/17/91/57/708179157.db2.gz MBCMUABNAFHOBF-HJODHOHWSA-N 2 1 318.465 1.505 20 30 DDEDMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884228948 708200747 /nfs/dbraw/zinc/20/07/47/708200747.db2.gz CZHSBKOKJRZVKI-VUGNNNGISA-N 2 1 318.465 1.316 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886030291 708684901 /nfs/dbraw/zinc/68/49/01/708684901.db2.gz ISHMOHOTXULJKY-IAGOWNOFSA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886080863 708694627 /nfs/dbraw/zinc/69/46/27/708694627.db2.gz GPMICMUYTXRGFK-VQHPVUNQSA-N 2 1 321.465 1.615 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000899909435 709234603 /nfs/dbraw/zinc/23/46/03/709234603.db2.gz CINMJIUVUXUOKP-OAHLLOKOSA-N 2 1 307.438 1.228 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900797514 709763034 /nfs/dbraw/zinc/76/30/34/709763034.db2.gz FSZSJJUSGWIXBA-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CC)C[C@H]2CC)C1 ZINC000890362956 709836795 /nfs/dbraw/zinc/83/67/95/709836795.db2.gz IZSQHCNHDPPIOV-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CC)C[C@H]2CC)C1 ZINC000890362956 709836800 /nfs/dbraw/zinc/83/68/00/709836800.db2.gz IZSQHCNHDPPIOV-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)C[C@H]2CC)C1 ZINC000890362956 709836806 /nfs/dbraw/zinc/83/68/06/709836806.db2.gz IZSQHCNHDPPIOV-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)C[C@H]2CC)C1 ZINC000890362956 709836812 /nfs/dbraw/zinc/83/68/12/709836812.db2.gz IZSQHCNHDPPIOV-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000890364479 709837466 /nfs/dbraw/zinc/83/74/66/709837466.db2.gz ASQIWPCPKSJXDA-AEFFLSMTSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000890364479 709837469 /nfs/dbraw/zinc/83/74/69/709837469.db2.gz ASQIWPCPKSJXDA-AEFFLSMTSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000890364479 709837471 /nfs/dbraw/zinc/83/74/71/709837471.db2.gz ASQIWPCPKSJXDA-AEFFLSMTSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000890364479 709837474 /nfs/dbraw/zinc/83/74/74/709837474.db2.gz ASQIWPCPKSJXDA-AEFFLSMTSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000890365524 709838533 /nfs/dbraw/zinc/83/85/33/709838533.db2.gz VJJQASUIXLLGIN-PMRDEQMMSA-N 2 1 318.465 1.351 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000890365524 709838536 /nfs/dbraw/zinc/83/85/36/709838536.db2.gz VJJQASUIXLLGIN-PMRDEQMMSA-N 2 1 318.465 1.351 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000890365524 709838537 /nfs/dbraw/zinc/83/85/37/709838537.db2.gz VJJQASUIXLLGIN-PMRDEQMMSA-N 2 1 318.465 1.351 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000890365524 709838539 /nfs/dbraw/zinc/83/85/39/709838539.db2.gz VJJQASUIXLLGIN-PMRDEQMMSA-N 2 1 318.465 1.351 20 30 DDEDMP N#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903980272 711356935 /nfs/dbraw/zinc/35/69/35/711356935.db2.gz MULKRXNJKICRRU-KDURUIRLSA-N 2 1 310.445 1.959 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000928652920 713252311 /nfs/dbraw/zinc/25/23/11/713252311.db2.gz RFUGQVCZLBKDOA-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000923373953 714332493 /nfs/dbraw/zinc/33/24/93/714332493.db2.gz QSUYEYFMINJNOC-SJLPKXTDSA-N 2 1 317.433 1.795 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000926489132 715075753 /nfs/dbraw/zinc/07/57/53/715075753.db2.gz DVVYVISVYBFLPY-UHFFFAOYSA-N 2 1 309.454 1.834 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC(CNC(=O)OC(C)(C)C)C1 ZINC000926489132 715075756 /nfs/dbraw/zinc/07/57/56/715075756.db2.gz DVVYVISVYBFLPY-UHFFFAOYSA-N 2 1 309.454 1.834 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961343747 716917580 /nfs/dbraw/zinc/91/75/80/716917580.db2.gz SHCQEJDZGDAVQC-LTIDMASMSA-N 2 1 303.450 1.483 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941163517 717119569 /nfs/dbraw/zinc/11/95/69/717119569.db2.gz MDAHAXWAUQNMIR-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941163517 717119570 /nfs/dbraw/zinc/11/95/70/717119570.db2.gz MDAHAXWAUQNMIR-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941163517 717119571 /nfs/dbraw/zinc/11/95/71/717119571.db2.gz MDAHAXWAUQNMIR-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942207245 717548641 /nfs/dbraw/zinc/54/86/41/717548641.db2.gz KHJQTQLUSVCKQZ-ZFWWWQNUSA-N 2 1 320.437 1.753 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942207245 717548644 /nfs/dbraw/zinc/54/86/44/717548644.db2.gz KHJQTQLUSVCKQZ-ZFWWWQNUSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942209093 717550707 /nfs/dbraw/zinc/55/07/07/717550707.db2.gz UBDBMFOLRZOUTP-HIFRSBDPSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942209093 717550711 /nfs/dbraw/zinc/55/07/11/717550711.db2.gz UBDBMFOLRZOUTP-HIFRSBDPSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962782097 717587138 /nfs/dbraw/zinc/58/71/38/717587138.db2.gz VKBAIDRIGGVETH-PIIMJCKOSA-N 2 1 311.429 1.432 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942444162 717678395 /nfs/dbraw/zinc/67/83/95/717678395.db2.gz LVKVFACDGNRQQP-GOEBONIOSA-N 2 1 323.400 1.341 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963391956 717773205 /nfs/dbraw/zinc/77/32/05/717773205.db2.gz WDGLSJHLNMVOKE-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963471824 717802405 /nfs/dbraw/zinc/80/24/05/717802405.db2.gz OWHVUINCURKWNT-ABHNRTSZSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1 ZINC000963471824 717802409 /nfs/dbraw/zinc/80/24/09/717802409.db2.gz OWHVUINCURKWNT-ABHNRTSZSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856147 718928024 /nfs/dbraw/zinc/92/80/24/718928024.db2.gz CHUPXRMMPOWMKV-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856147 718928028 /nfs/dbraw/zinc/92/80/28/718928028.db2.gz CHUPXRMMPOWMKV-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856147 718928032 /nfs/dbraw/zinc/92/80/32/718928032.db2.gz CHUPXRMMPOWMKV-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000967926513 719091341 /nfs/dbraw/zinc/09/13/41/719091341.db2.gz XKGDDXCDNADJKQ-DOMZBBRYSA-N 2 1 318.446 1.404 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)[C@H](C)C2)CC1 ZINC000948069418 719348883 /nfs/dbraw/zinc/34/88/83/719348883.db2.gz HNGFTEIQHKSXRC-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)[C@@H](C)C2)CC1 ZINC000948071338 719349844 /nfs/dbraw/zinc/34/98/44/719349844.db2.gz XASKXTOTIFCVGY-MAUKXSAKSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000948269651 719424868 /nfs/dbraw/zinc/42/48/68/719424868.db2.gz PZQBZWZLUFXCSQ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269651 719424871 /nfs/dbraw/zinc/42/48/71/719424871.db2.gz PZQBZWZLUFXCSQ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269651 719424874 /nfs/dbraw/zinc/42/48/74/719424874.db2.gz PZQBZWZLUFXCSQ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948269651 719424877 /nfs/dbraw/zinc/42/48/77/719424877.db2.gz PZQBZWZLUFXCSQ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269651 719424881 /nfs/dbraw/zinc/42/48/81/719424881.db2.gz PZQBZWZLUFXCSQ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423860 719492279 /nfs/dbraw/zinc/49/22/79/719492279.db2.gz DZLKOUYKNIARCP-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423860 719492284 /nfs/dbraw/zinc/49/22/84/719492284.db2.gz DZLKOUYKNIARCP-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423860 719492286 /nfs/dbraw/zinc/49/22/86/719492286.db2.gz DZLKOUYKNIARCP-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553213 719543453 /nfs/dbraw/zinc/54/34/53/719543453.db2.gz FPDNIYYBXWPJTI-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553213 719543458 /nfs/dbraw/zinc/54/34/58/719543458.db2.gz FPDNIYYBXWPJTI-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553213 719543462 /nfs/dbraw/zinc/54/34/62/719543462.db2.gz FPDNIYYBXWPJTI-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948582927 719562118 /nfs/dbraw/zinc/56/21/18/719562118.db2.gz FWFVZDKKKDCCOJ-MRXNPFEDSA-N 2 1 303.450 1.561 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588220 735326497 /nfs/dbraw/zinc/32/64/97/735326497.db2.gz TXGVFFKMQFFTCP-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588220 735326500 /nfs/dbraw/zinc/32/65/00/735326500.db2.gz TXGVFFKMQFFTCP-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023762183 735450603 /nfs/dbraw/zinc/45/06/03/735450603.db2.gz SPTFBOSIVGNMEM-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023762183 735450609 /nfs/dbraw/zinc/45/06/09/735450609.db2.gz SPTFBOSIVGNMEM-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172977 733081653 /nfs/dbraw/zinc/08/16/53/733081653.db2.gz KGFIYQYJLIGLIX-IAGOWNOFSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172977 733081656 /nfs/dbraw/zinc/08/16/56/733081656.db2.gz KGFIYQYJLIGLIX-IAGOWNOFSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172977 733081659 /nfs/dbraw/zinc/08/16/59/733081659.db2.gz KGFIYQYJLIGLIX-IAGOWNOFSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224355 733280200 /nfs/dbraw/zinc/28/02/00/733280200.db2.gz FAYBBMMELQYILS-DLBZAZTESA-N 2 1 314.433 1.609 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023397209 735209313 /nfs/dbraw/zinc/20/93/13/735209313.db2.gz ZXBCXBJBZKUIQN-AWEZNQCLSA-N 2 1 319.474 1.885 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438298 735827207 /nfs/dbraw/zinc/82/72/07/735827207.db2.gz LBUXBUGNVSKKGD-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3cncn3C)C(C)(C)[C@@H]21 ZINC001087312210 736041845 /nfs/dbraw/zinc/04/18/45/736041845.db2.gz AWIGGGWZSYOTFU-DJIMGWMZSA-N 2 1 314.433 1.201 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024807319 736103776 /nfs/dbraw/zinc/10/37/76/736103776.db2.gz BHHJGNBPCQTMRZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024807319 736103778 /nfs/dbraw/zinc/10/37/78/736103778.db2.gz BHHJGNBPCQTMRZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807319 736103784 /nfs/dbraw/zinc/10/37/84/736103784.db2.gz BHHJGNBPCQTMRZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807319 736103788 /nfs/dbraw/zinc/10/37/88/736103788.db2.gz BHHJGNBPCQTMRZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024813280 736108533 /nfs/dbraw/zinc/10/85/33/736108533.db2.gz YCJIHHAZZLZZFD-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024813280 736108536 /nfs/dbraw/zinc/10/85/36/736108536.db2.gz YCJIHHAZZLZZFD-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024813280 736108537 /nfs/dbraw/zinc/10/85/37/736108537.db2.gz YCJIHHAZZLZZFD-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573268 736339477 /nfs/dbraw/zinc/33/94/77/736339477.db2.gz OIQVPAMEQPAGCX-KURKYZTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025239376 736386556 /nfs/dbraw/zinc/38/65/56/736386556.db2.gz DQLIUTCRFBQACI-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239376 736386560 /nfs/dbraw/zinc/38/65/60/736386560.db2.gz DQLIUTCRFBQACI-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239376 736386563 /nfs/dbraw/zinc/38/65/63/736386563.db2.gz DQLIUTCRFBQACI-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293163 736410767 /nfs/dbraw/zinc/41/07/67/736410767.db2.gz AYYVMRVIKVJDIZ-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018298 738939547 /nfs/dbraw/zinc/93/95/47/738939547.db2.gz QQRMWOUEYHWCBC-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020026233 736981751 /nfs/dbraw/zinc/98/17/51/736981751.db2.gz MHRQPMMPIZESJC-ULQDDVLXSA-N 2 1 312.417 1.389 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1 ZINC001104937866 737390396 /nfs/dbraw/zinc/39/03/96/737390396.db2.gz KFEOVARHRDIEOK-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263959 742285624 /nfs/dbraw/zinc/28/56/24/742285624.db2.gz KDZOJKZFXSMVET-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263959 742285627 /nfs/dbraw/zinc/28/56/27/742285627.db2.gz KDZOJKZFXSMVET-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040263959 742285632 /nfs/dbraw/zinc/28/56/32/742285632.db2.gz KDZOJKZFXSMVET-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001027469410 738323727 /nfs/dbraw/zinc/32/37/27/738323727.db2.gz ZRKICYPKNIKCCM-HUUCEWRRSA-N 2 1 300.406 1.002 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093103 739023972 /nfs/dbraw/zinc/02/39/72/739023972.db2.gz HNILBCMFMSDOOT-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103338 739039211 /nfs/dbraw/zinc/03/92/11/739039211.db2.gz NYDAGAZDNSNPST-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103338 739039212 /nfs/dbraw/zinc/03/92/12/739039212.db2.gz NYDAGAZDNSNPST-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041372895 739111626 /nfs/dbraw/zinc/11/16/26/739111626.db2.gz SJBDYSZLEZXEEO-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041372895 739111627 /nfs/dbraw/zinc/11/16/27/739111627.db2.gz SJBDYSZLEZXEEO-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041372895 739111628 /nfs/dbraw/zinc/11/16/28/739111628.db2.gz SJBDYSZLEZXEEO-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998004468 751458554 /nfs/dbraw/zinc/45/85/54/751458554.db2.gz AWDWGTJJFSYDQM-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028601588 739779458 /nfs/dbraw/zinc/77/94/58/739779458.db2.gz QSRSKMZJCVVNTI-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028601588 739779460 /nfs/dbraw/zinc/77/94/60/739779460.db2.gz QSRSKMZJCVVNTI-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001028601588 739779462 /nfs/dbraw/zinc/77/94/62/739779462.db2.gz QSRSKMZJCVVNTI-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC=C(C)C)C1 ZINC001028601588 739779463 /nfs/dbraw/zinc/77/94/63/739779463.db2.gz QSRSKMZJCVVNTI-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647569 739847521 /nfs/dbraw/zinc/84/75/21/739847521.db2.gz KDBRDFBJCIQENY-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647569 739847530 /nfs/dbraw/zinc/84/75/30/739847530.db2.gz KDBRDFBJCIQENY-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647569 739847535 /nfs/dbraw/zinc/84/75/35/739847535.db2.gz KDBRDFBJCIQENY-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001028811036 740070838 /nfs/dbraw/zinc/07/08/38/740070838.db2.gz GPSJHKJRFGJCCJ-BZUAXINKSA-N 2 1 316.449 1.928 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028856653 740114622 /nfs/dbraw/zinc/11/46/22/740114622.db2.gz MHYVLFAOVWJLNF-HNNXBMFYSA-N 2 1 319.453 1.073 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028891905 740148404 /nfs/dbraw/zinc/14/84/04/740148404.db2.gz LCORMIVCIBWDSI-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028891905 740148407 /nfs/dbraw/zinc/14/84/07/740148407.db2.gz LCORMIVCIBWDSI-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001029004030 740249478 /nfs/dbraw/zinc/24/94/78/740249478.db2.gz SCSDMDLMWHOVAO-MRXNPFEDSA-N 2 1 303.450 1.346 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087574443 740661392 /nfs/dbraw/zinc/66/13/92/740661392.db2.gz HCTYYQKQPZDXOF-IXDOHACOSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H]1CC ZINC001087840351 740779929 /nfs/dbraw/zinc/77/99/29/740779929.db2.gz SYPSFGKGKOZXPP-ZWKOTPCHSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840864 740780760 /nfs/dbraw/zinc/78/07/60/740780760.db2.gz RHQCJOPCNDLIEJ-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840864 740780763 /nfs/dbraw/zinc/78/07/63/740780763.db2.gz RHQCJOPCNDLIEJ-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840864 740780765 /nfs/dbraw/zinc/78/07/65/740780765.db2.gz RHQCJOPCNDLIEJ-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001087989055 740931445 /nfs/dbraw/zinc/93/14/45/740931445.db2.gz NQILESULGNRBDY-CABCVRRESA-N 2 1 300.406 1.146 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001087989055 740931448 /nfs/dbraw/zinc/93/14/48/740931448.db2.gz NQILESULGNRBDY-CABCVRRESA-N 2 1 300.406 1.146 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993494 740934163 /nfs/dbraw/zinc/93/41/63/740934163.db2.gz QDHIERNVGFZJDM-IKGGRYGDSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC)CC[C@@H]2C1 ZINC001087997828 740938735 /nfs/dbraw/zinc/93/87/35/740938735.db2.gz BBBNNGWTDWSBOX-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001087997828 740938741 /nfs/dbraw/zinc/93/87/41/740938741.db2.gz BBBNNGWTDWSBOX-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC)CC[C@@H]2C1 ZINC001087997828 740938744 /nfs/dbraw/zinc/93/87/44/740938744.db2.gz BBBNNGWTDWSBOX-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC)CC[C@@H]2C1 ZINC001087997828 740938747 /nfs/dbraw/zinc/93/87/47/740938747.db2.gz BBBNNGWTDWSBOX-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001087998068 740939673 /nfs/dbraw/zinc/93/96/73/740939673.db2.gz PHSXVFOAQVLWNW-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C1 ZINC001087998068 740939677 /nfs/dbraw/zinc/93/96/77/740939677.db2.gz PHSXVFOAQVLWNW-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(C)C)CC[C@@H]2C1 ZINC001087998068 740939680 /nfs/dbraw/zinc/93/96/80/740939680.db2.gz PHSXVFOAQVLWNW-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(C)C)CC[C@@H]2C1 ZINC001087998068 740939683 /nfs/dbraw/zinc/93/96/83/740939683.db2.gz PHSXVFOAQVLWNW-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172546 741093350 /nfs/dbraw/zinc/09/33/50/741093350.db2.gz RLZYBHRDSWUWDV-CVEARBPZSA-N 2 1 303.450 1.439 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876768 741452969 /nfs/dbraw/zinc/45/29/69/741452969.db2.gz VJVXBRXEQODMPT-OKZBNKHCSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876768 741452971 /nfs/dbraw/zinc/45/29/71/741452971.db2.gz VJVXBRXEQODMPT-OKZBNKHCSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876768 741452973 /nfs/dbraw/zinc/45/29/73/741452973.db2.gz VJVXBRXEQODMPT-OKZBNKHCSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075904887 741882921 /nfs/dbraw/zinc/88/29/21/741882921.db2.gz RXQZOPZVHZHUMF-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075904887 741882923 /nfs/dbraw/zinc/88/29/23/741882923.db2.gz RXQZOPZVHZHUMF-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075904887 741882925 /nfs/dbraw/zinc/88/29/25/741882925.db2.gz RXQZOPZVHZHUMF-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001035610249 751716930 /nfs/dbraw/zinc/71/69/30/751716930.db2.gz VOJRBPYWGLHIID-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035610249 751716933 /nfs/dbraw/zinc/71/69/33/751716933.db2.gz VOJRBPYWGLHIID-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035610249 751716936 /nfs/dbraw/zinc/71/69/36/751716936.db2.gz VOJRBPYWGLHIID-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605437 742819047 /nfs/dbraw/zinc/81/90/47/742819047.db2.gz ALMGDSCHYUKTQV-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181517603 743246238 /nfs/dbraw/zinc/24/62/38/743246238.db2.gz KCLFTPUQCLVBDU-KYHPRHEASA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC#C)CC2 ZINC001035724402 751813823 /nfs/dbraw/zinc/81/38/23/751813823.db2.gz GEMGXRSEVLJPMJ-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC#C)CC2 ZINC001035724402 751813834 /nfs/dbraw/zinc/81/38/34/751813834.db2.gz GEMGXRSEVLJPMJ-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861194 744247814 /nfs/dbraw/zinc/24/78/14/744247814.db2.gz ULWIUDNUCJIMBM-UNEWFSDZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861194 744247817 /nfs/dbraw/zinc/24/78/17/744247817.db2.gz ULWIUDNUCJIMBM-UNEWFSDZSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897477 744353057 /nfs/dbraw/zinc/35/30/57/744353057.db2.gz KSAKMNQOMQWEQE-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088969316 744417366 /nfs/dbraw/zinc/41/73/66/744417366.db2.gz RFSCWLMIMCLLBM-PBHICJAKSA-N 2 1 305.466 1.873 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001187284530 744534311 /nfs/dbraw/zinc/53/43/11/744534311.db2.gz ZWCZHJARVUZQNZ-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992141409 744632021 /nfs/dbraw/zinc/63/20/21/744632021.db2.gz XLSMWROXOZQWOD-BMFAXAFESA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992141409 744632023 /nfs/dbraw/zinc/63/20/23/744632023.db2.gz XLSMWROXOZQWOD-BMFAXAFESA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992141409 744632025 /nfs/dbraw/zinc/63/20/25/744632025.db2.gz XLSMWROXOZQWOD-BMFAXAFESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@@H]12 ZINC000992155661 744640644 /nfs/dbraw/zinc/64/06/44/744640644.db2.gz ZCMDTJQOAQRSLG-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992155661 744640646 /nfs/dbraw/zinc/64/06/46/744640646.db2.gz ZCMDTJQOAQRSLG-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992155661 744640647 /nfs/dbraw/zinc/64/06/47/744640647.db2.gz ZCMDTJQOAQRSLG-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188819292 744775058 /nfs/dbraw/zinc/77/50/58/744775058.db2.gz VBQJNHNLNFZDQO-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188819292 744775060 /nfs/dbraw/zinc/77/50/60/744775060.db2.gz VBQJNHNLNFZDQO-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188819292 744775062 /nfs/dbraw/zinc/77/50/62/744775062.db2.gz VBQJNHNLNFZDQO-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189110486 744820469 /nfs/dbraw/zinc/82/04/69/744820469.db2.gz PWIJKNMNPUWCQP-GVDBMIGSSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325136 745182584 /nfs/dbraw/zinc/18/25/84/745182584.db2.gz TWUKYWFXXZYXJH-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001190482746 745222445 /nfs/dbraw/zinc/22/24/45/745222445.db2.gz JKODELPGQIIBKG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001190482746 745222450 /nfs/dbraw/zinc/22/24/50/745222450.db2.gz JKODELPGQIIBKG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001190482746 745222452 /nfs/dbraw/zinc/22/24/52/745222452.db2.gz JKODELPGQIIBKG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001191018523 745405270 /nfs/dbraw/zinc/40/52/70/745405270.db2.gz AJRSHMUPFHFKBX-LSDHHAIUSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001191018523 745405274 /nfs/dbraw/zinc/40/52/74/745405274.db2.gz AJRSHMUPFHFKBX-LSDHHAIUSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993332164 746003694 /nfs/dbraw/zinc/00/36/94/746003694.db2.gz AVIURUNWBUSHOL-HUUCEWRRSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993535046 746202176 /nfs/dbraw/zinc/20/21/76/746202176.db2.gz SKHYOWISWQPEGE-RHSMWYFYSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993535046 746202179 /nfs/dbraw/zinc/20/21/79/746202179.db2.gz SKHYOWISWQPEGE-RHSMWYFYSA-N 2 1 310.401 1.859 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429650 746383918 /nfs/dbraw/zinc/38/39/18/746383918.db2.gz LQNNXKYOLUOKSD-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874536 746549298 /nfs/dbraw/zinc/54/92/98/746549298.db2.gz KAUAPWIUSQXQKA-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001195405314 746592085 /nfs/dbraw/zinc/59/20/85/746592085.db2.gz YCGZOEOQNQMMGO-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001195405314 746592087 /nfs/dbraw/zinc/59/20/87/746592087.db2.gz YCGZOEOQNQMMGO-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195405314 746592091 /nfs/dbraw/zinc/59/20/91/746592091.db2.gz YCGZOEOQNQMMGO-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195405314 746592094 /nfs/dbraw/zinc/59/20/94/746592094.db2.gz YCGZOEOQNQMMGO-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001197001302 747031053 /nfs/dbraw/zinc/03/10/53/747031053.db2.gz YXNZCSRTEIAYJI-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197001302 747031062 /nfs/dbraw/zinc/03/10/62/747031062.db2.gz YXNZCSRTEIAYJI-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001302 747031068 /nfs/dbraw/zinc/03/10/68/747031068.db2.gz YXNZCSRTEIAYJI-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197001302 747031075 /nfs/dbraw/zinc/03/10/75/747031075.db2.gz YXNZCSRTEIAYJI-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616522 747470484 /nfs/dbraw/zinc/47/04/84/747470484.db2.gz JHLGJFAYWLOFOQ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616522 747470486 /nfs/dbraw/zinc/47/04/86/747470486.db2.gz JHLGJFAYWLOFOQ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616522 747470491 /nfs/dbraw/zinc/47/04/91/747470491.db2.gz JHLGJFAYWLOFOQ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729174 747587511 /nfs/dbraw/zinc/58/75/11/747587511.db2.gz HBMXQFUOFKZYHI-KRWDZBQOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001089820669 747973393 /nfs/dbraw/zinc/97/33/93/747973393.db2.gz NXQPAFYGCADMON-DKIMLUQUSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089820669 747973397 /nfs/dbraw/zinc/97/33/97/747973397.db2.gz NXQPAFYGCADMON-DKIMLUQUSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089820669 747973400 /nfs/dbraw/zinc/97/34/00/747973400.db2.gz NXQPAFYGCADMON-DKIMLUQUSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033082964 748219378 /nfs/dbraw/zinc/21/93/78/748219378.db2.gz VZVSYYXMQQYZLL-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033082964 748219380 /nfs/dbraw/zinc/21/93/80/748219380.db2.gz VZVSYYXMQQYZLL-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033082964 748219386 /nfs/dbraw/zinc/21/93/86/748219386.db2.gz VZVSYYXMQQYZLL-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520222 748255015 /nfs/dbraw/zinc/25/50/15/748255015.db2.gz MCUUCYLKFIPPKE-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200635835 748298385 /nfs/dbraw/zinc/29/83/85/748298385.db2.gz WNOXCEWGKGWUEW-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720904 748328028 /nfs/dbraw/zinc/32/80/28/748328028.db2.gz DYLUVKUMQDOUFD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCCCCC)CCCO1 ZINC001201669067 748565500 /nfs/dbraw/zinc/56/55/00/748565500.db2.gz PHYZQXHFCLATSR-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554175 748680862 /nfs/dbraw/zinc/68/08/62/748680862.db2.gz YBRZMTUPSZUYOH-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554175 748680866 /nfs/dbraw/zinc/68/08/66/748680866.db2.gz YBRZMTUPSZUYOH-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554175 748680872 /nfs/dbraw/zinc/68/08/72/748680872.db2.gz YBRZMTUPSZUYOH-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147845 748696645 /nfs/dbraw/zinc/69/66/45/748696645.db2.gz KZOPTUTVYCLFSH-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C/C=C\Cl)C2)CC1 ZINC001032207331 748844887 /nfs/dbraw/zinc/84/48/87/748844887.db2.gz NMSXLLPUZQFGLD-UTCJRWHESA-N 2 1 309.841 1.132 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995959674 749308937 /nfs/dbraw/zinc/30/89/37/749308937.db2.gz RRGSVMQJXPAFEB-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995959674 749308938 /nfs/dbraw/zinc/30/89/38/749308938.db2.gz RRGSVMQJXPAFEB-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000876839362 749335584 /nfs/dbraw/zinc/33/55/84/749335584.db2.gz UTCUUERRXJGOGP-UONOGXRCSA-N 2 1 311.788 1.769 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508709 749431126 /nfs/dbraw/zinc/43/11/26/749431126.db2.gz NRDVMABLERSVPS-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996203469 749434710 /nfs/dbraw/zinc/43/47/10/749434710.db2.gz HUJNMKJTLDPQFL-GOEBONIOSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039389763 761990254 /nfs/dbraw/zinc/99/02/54/761990254.db2.gz JQAZXVNVWXRUKX-IKGGRYGDSA-N 2 1 305.466 1.661 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825690 749935635 /nfs/dbraw/zinc/93/56/35/749935635.db2.gz HEMWJIRGHABPMO-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825690 749935639 /nfs/dbraw/zinc/93/56/39/749935639.db2.gz HEMWJIRGHABPMO-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825690 749935643 /nfs/dbraw/zinc/93/56/43/749935643.db2.gz HEMWJIRGHABPMO-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825690 749935648 /nfs/dbraw/zinc/93/56/48/749935648.db2.gz HEMWJIRGHABPMO-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899242 750086484 /nfs/dbraw/zinc/08/64/84/750086484.db2.gz VVQOBZHYXGGJEL-KRWDZBQOSA-N 2 1 310.401 1.894 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550323 750114753 /nfs/dbraw/zinc/11/47/53/750114753.db2.gz SFAVEYLQOWVTKX-VQIMIIECSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550323 750114756 /nfs/dbraw/zinc/11/47/56/750114756.db2.gz SFAVEYLQOWVTKX-VQIMIIECSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107550323 750114758 /nfs/dbraw/zinc/11/47/58/750114758.db2.gz SFAVEYLQOWVTKX-VQIMIIECSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001034046663 750313332 /nfs/dbraw/zinc/31/33/32/750313332.db2.gz TYYIBNQKISKDPH-KRWDZBQOSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC=C)C2)CC1 ZINC001034538005 750539939 /nfs/dbraw/zinc/53/99/39/750539939.db2.gz GYAIOQOBMNMRJY-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952636 750841332 /nfs/dbraw/zinc/84/13/32/750841332.db2.gz IYAJJPJOXCVYME-NUJGCVRESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952636 750841342 /nfs/dbraw/zinc/84/13/42/750841342.db2.gz IYAJJPJOXCVYME-NUJGCVRESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952636 750841350 /nfs/dbraw/zinc/84/13/50/750841350.db2.gz IYAJJPJOXCVYME-NUJGCVRESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997586145 751132872 /nfs/dbraw/zinc/13/28/72/751132872.db2.gz DFQBLQMRKLJKEH-DOTOQJQBSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035228867 751306979 /nfs/dbraw/zinc/30/69/79/751306979.db2.gz DTMMLCWGPLEELX-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001035257139 751335394 /nfs/dbraw/zinc/33/53/94/751335394.db2.gz RYPNXDPRKDKWQZ-UHFFFAOYSA-N 2 1 317.477 1.810 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007986894 752484320 /nfs/dbraw/zinc/48/43/20/752484320.db2.gz AFYFEJVXDXDCMB-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007986894 752484325 /nfs/dbraw/zinc/48/43/25/752484325.db2.gz AFYFEJVXDXDCMB-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007986894 752484331 /nfs/dbraw/zinc/48/43/31/752484331.db2.gz AFYFEJVXDXDCMB-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090263337 753244491 /nfs/dbraw/zinc/24/44/91/753244491.db2.gz WFMGGOSIVPXZFY-JKSUJKDBSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001009625543 753286745 /nfs/dbraw/zinc/28/67/45/753286745.db2.gz FBFSUXSTYQLISZ-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108024609 753575817 /nfs/dbraw/zinc/57/58/17/753575817.db2.gz NFIJFTMDADZERC-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024609 753575820 /nfs/dbraw/zinc/57/58/20/753575820.db2.gz NFIJFTMDADZERC-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024609 753575822 /nfs/dbraw/zinc/57/58/22/753575822.db2.gz NFIJFTMDADZERC-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040532050 754108315 /nfs/dbraw/zinc/10/83/15/754108315.db2.gz UCQZCXWPSJITNZ-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040532050 754108317 /nfs/dbraw/zinc/10/83/17/754108317.db2.gz UCQZCXWPSJITNZ-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H](O)C1 ZINC001090361398 755074517 /nfs/dbraw/zinc/07/45/17/755074517.db2.gz ORBQLRFWNRVXON-GOEBONIOSA-N 2 1 314.389 1.304 20 30 DDEDMP C=C(C)CN1CC[C@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H](O)C1 ZINC001090361398 755074523 /nfs/dbraw/zinc/07/45/23/755074523.db2.gz ORBQLRFWNRVXON-GOEBONIOSA-N 2 1 314.389 1.304 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342059 755858600 /nfs/dbraw/zinc/85/86/00/755858600.db2.gz GCNFNUAINPRQJC-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342059 755858603 /nfs/dbraw/zinc/85/86/03/755858603.db2.gz GCNFNUAINPRQJC-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080447321 755923214 /nfs/dbraw/zinc/92/32/14/755923214.db2.gz YIIAJAHDKOQIGA-XNRPHZJLSA-N 2 1 302.422 1.376 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080447321 755923217 /nfs/dbraw/zinc/92/32/17/755923217.db2.gz YIIAJAHDKOQIGA-XNRPHZJLSA-N 2 1 302.422 1.376 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080541136 755964643 /nfs/dbraw/zinc/96/46/43/755964643.db2.gz GMPYOOKCVWECGD-HUUCEWRRSA-N 2 1 302.422 1.466 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001080541136 755964647 /nfs/dbraw/zinc/96/46/47/755964647.db2.gz GMPYOOKCVWECGD-HUUCEWRRSA-N 2 1 302.422 1.466 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080992427 756179236 /nfs/dbraw/zinc/17/92/36/756179236.db2.gz KDKMOJSSTQUVQR-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](OC)C1 ZINC001081899905 756523983 /nfs/dbraw/zinc/52/39/83/756523983.db2.gz PJUGRXWJICQCDV-HZPDHXFCSA-N 2 1 314.389 1.339 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970905 756687508 /nfs/dbraw/zinc/68/75/08/756687508.db2.gz VSQVIFDGZHCMTI-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016632051 757221338 /nfs/dbraw/zinc/22/13/38/757221338.db2.gz KMYGOGDZMCPJHT-BZUAXINKSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016828915 757388519 /nfs/dbraw/zinc/38/85/19/757388519.db2.gz JQTMWQNSWMLFNA-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664001 757747461 /nfs/dbraw/zinc/74/74/61/757747461.db2.gz AFNAJUDOEAOZSR-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664001 757747465 /nfs/dbraw/zinc/74/74/65/757747465.db2.gz AFNAJUDOEAOZSR-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664001 757747471 /nfs/dbraw/zinc/74/74/71/757747471.db2.gz AFNAJUDOEAOZSR-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664001 757747478 /nfs/dbraw/zinc/74/74/78/757747478.db2.gz AFNAJUDOEAOZSR-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970078 758110701 /nfs/dbraw/zinc/11/07/01/758110701.db2.gz MXEKIWIVDFJJGI-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970078 758110711 /nfs/dbraw/zinc/11/07/11/758110711.db2.gz MXEKIWIVDFJJGI-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970078 758110721 /nfs/dbraw/zinc/11/07/21/758110721.db2.gz MXEKIWIVDFJJGI-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970078 758110730 /nfs/dbraw/zinc/11/07/30/758110730.db2.gz MXEKIWIVDFJJGI-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809871 762683630 /nfs/dbraw/zinc/68/36/30/762683630.db2.gz LRNDZNOCUWHFIU-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242875 759195481 /nfs/dbraw/zinc/19/54/81/759195481.db2.gz KOVOSUCFCKWRKM-KLHDSHLOSA-N 2 1 309.454 1.299 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242875 759195486 /nfs/dbraw/zinc/19/54/86/759195486.db2.gz KOVOSUCFCKWRKM-KLHDSHLOSA-N 2 1 309.454 1.299 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145887 759224126 /nfs/dbraw/zinc/22/41/26/759224126.db2.gz ZGFPUJRMYCSCSY-WMZOPIPTSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190494 759275441 /nfs/dbraw/zinc/27/54/41/759275441.db2.gz KVOCHQQYEAYCCE-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213984 760387577 /nfs/dbraw/zinc/38/75/77/760387577.db2.gz WCUMGMFCZCMSFM-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213984 760387588 /nfs/dbraw/zinc/38/75/88/760387588.db2.gz WCUMGMFCZCMSFM-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213984 760387599 /nfs/dbraw/zinc/38/75/99/760387599.db2.gz WCUMGMFCZCMSFM-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP N#Cc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001038912873 761538710 /nfs/dbraw/zinc/53/87/10/761538710.db2.gz GZAOFLOUSQGVGB-QGZVFWFLSA-N 2 1 324.428 1.345 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001038912873 761538714 /nfs/dbraw/zinc/53/87/14/761538714.db2.gz GZAOFLOUSQGVGB-QGZVFWFLSA-N 2 1 324.428 1.345 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001390855 762816973 /nfs/dbraw/zinc/81/69/73/762816973.db2.gz AFCUIAXEYFSBII-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001424110 762851996 /nfs/dbraw/zinc/85/19/96/762851996.db2.gz HFTWSPWTVVSTEO-IRXDYDNUSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC001001490478 762910018 /nfs/dbraw/zinc/91/00/18/762910018.db2.gz WHZMJNMHVCVNJZ-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(C)C)CC1 ZINC001001490478 762910024 /nfs/dbraw/zinc/91/00/24/762910024.db2.gz WHZMJNMHVCVNJZ-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC001041378050 762989410 /nfs/dbraw/zinc/98/94/10/762989410.db2.gz INXDQPVVRCHXFN-RKVPGOIHSA-N 2 1 312.417 1.461 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001041378050 762989414 /nfs/dbraw/zinc/98/94/14/762989414.db2.gz INXDQPVVRCHXFN-RKVPGOIHSA-N 2 1 312.417 1.461 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC001041378078 762990021 /nfs/dbraw/zinc/99/00/21/762990021.db2.gz IRKIEPDWWGYKDG-RKVPGOIHSA-N 2 1 312.417 1.461 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001041378078 762990025 /nfs/dbraw/zinc/99/00/25/762990025.db2.gz IRKIEPDWWGYKDG-RKVPGOIHSA-N 2 1 312.417 1.461 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001041378078 762990029 /nfs/dbraw/zinc/99/00/29/762990029.db2.gz IRKIEPDWWGYKDG-RKVPGOIHSA-N 2 1 312.417 1.461 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095365 763127203 /nfs/dbraw/zinc/12/72/03/763127203.db2.gz LFQGLDDRSJHEPO-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095365 763127208 /nfs/dbraw/zinc/12/72/08/763127208.db2.gz LFQGLDDRSJHEPO-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001050120120 763166344 /nfs/dbraw/zinc/16/63/44/763166344.db2.gz SJGIPVLPVUYGKE-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050120120 763166354 /nfs/dbraw/zinc/16/63/54/763166354.db2.gz SJGIPVLPVUYGKE-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050120120 763166361 /nfs/dbraw/zinc/16/63/61/763166361.db2.gz SJGIPVLPVUYGKE-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041679806 763218435 /nfs/dbraw/zinc/21/84/35/763218435.db2.gz ODEWHLDEEGEIGG-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679806 763218442 /nfs/dbraw/zinc/21/84/42/763218442.db2.gz ODEWHLDEEGEIGG-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679806 763218450 /nfs/dbraw/zinc/21/84/50/763218450.db2.gz ODEWHLDEEGEIGG-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156415 763720765 /nfs/dbraw/zinc/72/07/65/763720765.db2.gz IJNGJTGVQDERSK-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156415 763720772 /nfs/dbraw/zinc/72/07/72/763720772.db2.gz IJNGJTGVQDERSK-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042158537 763723367 /nfs/dbraw/zinc/72/33/67/763723367.db2.gz YTDMMAKCUOUPKD-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042158537 763723369 /nfs/dbraw/zinc/72/33/69/763723369.db2.gz YTDMMAKCUOUPKD-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050563296 763757457 /nfs/dbraw/zinc/75/74/57/763757457.db2.gz BRNYSXQBCVAYKU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256717 763828328 /nfs/dbraw/zinc/82/83/28/763828328.db2.gz YWRJOQWUVJAATJ-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663439 763888477 /nfs/dbraw/zinc/88/84/77/763888477.db2.gz UXMLRYBKLJWNQZ-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050686799 763919332 /nfs/dbraw/zinc/91/93/32/763919332.db2.gz BHEDPBRSLZHBPV-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050754038 764002510 /nfs/dbraw/zinc/00/25/10/764002510.db2.gz NQXLCGNMKWCRTA-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131682622 768258896 /nfs/dbraw/zinc/25/88/96/768258896.db2.gz QXWCRLDQHDHWMI-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131692186 768274767 /nfs/dbraw/zinc/27/47/67/768274767.db2.gz FLPPVGCDJWVLRR-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131696998 768279663 /nfs/dbraw/zinc/27/96/63/768279663.db2.gz FLOCDLHQOHVCSZ-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696998 768279667 /nfs/dbraw/zinc/27/96/67/768279667.db2.gz FLOCDLHQOHVCSZ-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696998 768279669 /nfs/dbraw/zinc/27/96/69/768279669.db2.gz FLOCDLHQOHVCSZ-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044758126 765793600 /nfs/dbraw/zinc/79/36/00/765793600.db2.gz AYPIFXVFGZYWTI-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447885 765838211 /nfs/dbraw/zinc/83/82/11/765838211.db2.gz OFPMHYYFDSMSIJ-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447885 765838218 /nfs/dbraw/zinc/83/82/18/765838218.db2.gz OFPMHYYFDSMSIJ-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052529406 765924996 /nfs/dbraw/zinc/92/49/96/765924996.db2.gz QQSPOZODWFZGPJ-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045438914 766307177 /nfs/dbraw/zinc/30/71/77/766307177.db2.gz WVVHLTKXMLGXOX-MRXNPFEDSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444566 766311864 /nfs/dbraw/zinc/31/18/64/766311864.db2.gz PKCSLMAGPYREIM-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114090488 766619404 /nfs/dbraw/zinc/61/94/04/766619404.db2.gz FGJQCZAYZOAGFD-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114090488 766619414 /nfs/dbraw/zinc/61/94/14/766619414.db2.gz FGJQCZAYZOAGFD-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114090488 766619421 /nfs/dbraw/zinc/61/94/21/766619421.db2.gz FGJQCZAYZOAGFD-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114090488 766619425 /nfs/dbraw/zinc/61/94/25/766619425.db2.gz FGJQCZAYZOAGFD-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1CC ZINC001129762481 766991969 /nfs/dbraw/zinc/99/19/69/766991969.db2.gz MWCDLOAIGCUAQL-SFHVURJKSA-N 2 1 313.445 1.552 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1CC ZINC001129762481 766991974 /nfs/dbraw/zinc/99/19/74/766991974.db2.gz MWCDLOAIGCUAQL-SFHVURJKSA-N 2 1 313.445 1.552 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001129771052 767000574 /nfs/dbraw/zinc/00/05/74/767000574.db2.gz OZGHZFGTCUCTKS-WMZOPIPTSA-N 2 1 313.445 1.859 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1C ZINC001129771052 767000586 /nfs/dbraw/zinc/00/05/86/767000586.db2.gz OZGHZFGTCUCTKS-WMZOPIPTSA-N 2 1 313.445 1.859 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046562838 767691312 /nfs/dbraw/zinc/69/13/12/767691312.db2.gz SDCKDRQXOJTSGS-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046562838 767691314 /nfs/dbraw/zinc/69/13/14/767691314.db2.gz SDCKDRQXOJTSGS-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046562838 767691319 /nfs/dbraw/zinc/69/13/19/767691319.db2.gz SDCKDRQXOJTSGS-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613599 767739665 /nfs/dbraw/zinc/73/96/65/767739665.db2.gz FBASVNWBRQIVDT-MAUKXSAKSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613599 767739669 /nfs/dbraw/zinc/73/96/69/767739669.db2.gz FBASVNWBRQIVDT-MAUKXSAKSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498451 768520193 /nfs/dbraw/zinc/52/01/93/768520193.db2.gz WLEOWGMZFPPAQY-ULQDDVLXSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498451 768520200 /nfs/dbraw/zinc/52/02/00/768520200.db2.gz WLEOWGMZFPPAQY-ULQDDVLXSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498451 768520208 /nfs/dbraw/zinc/52/02/08/768520208.db2.gz WLEOWGMZFPPAQY-ULQDDVLXSA-N 2 1 323.481 1.188 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562223 769535083 /nfs/dbraw/zinc/53/50/83/769535083.db2.gz KURYTMYTJORIAA-NQNKBUKLSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562223 769535090 /nfs/dbraw/zinc/53/50/90/769535090.db2.gz KURYTMYTJORIAA-NQNKBUKLSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562223 769535097 /nfs/dbraw/zinc/53/50/97/769535097.db2.gz KURYTMYTJORIAA-NQNKBUKLSA-N 2 1 303.450 1.177 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823946 769948510 /nfs/dbraw/zinc/94/85/10/769948510.db2.gz NLVDVHZHGJNBAQ-XHSDSOJGSA-N 2 1 323.868 1.471 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860166 770000234 /nfs/dbraw/zinc/00/02/34/770000234.db2.gz JHYZGUXSIRNTOE-YESZJQIVSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860166 770000241 /nfs/dbraw/zinc/00/02/41/770000241.db2.gz JHYZGUXSIRNTOE-YESZJQIVSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860166 770000257 /nfs/dbraw/zinc/00/02/57/770000257.db2.gz JHYZGUXSIRNTOE-YESZJQIVSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001048917957 770107802 /nfs/dbraw/zinc/10/78/02/770107802.db2.gz VPGUIHNOITWAER-IYBDPMFKSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012607 770250867 /nfs/dbraw/zinc/25/08/67/770250867.db2.gz GAXSJTARHMKXRB-IYBDPMFKSA-N 2 1 315.417 1.368 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012607 770250872 /nfs/dbraw/zinc/25/08/72/770250872.db2.gz GAXSJTARHMKXRB-IYBDPMFKSA-N 2 1 315.417 1.368 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059495 770309460 /nfs/dbraw/zinc/30/94/60/770309460.db2.gz RQWCCJKISTZARU-AEGPPILISA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059495 770309475 /nfs/dbraw/zinc/30/94/75/770309475.db2.gz RQWCCJKISTZARU-AEGPPILISA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049059495 770309481 /nfs/dbraw/zinc/30/94/81/770309481.db2.gz RQWCCJKISTZARU-AEGPPILISA-N 2 1 311.857 1.471 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171153 770494218 /nfs/dbraw/zinc/49/42/18/770494218.db2.gz MGCDPAJMENWTKD-ZJPYXAASSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001072099363 770541144 /nfs/dbraw/zinc/54/11/44/770541144.db2.gz PUDKQTAPQQJDKR-CRAIPNDOSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049841343 771199423 /nfs/dbraw/zinc/19/94/23/771199423.db2.gz RSQRYCAXKVNFBX-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049841343 771199425 /nfs/dbraw/zinc/19/94/25/771199425.db2.gz RSQRYCAXKVNFBX-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049841343 771199426 /nfs/dbraw/zinc/19/94/26/771199426.db2.gz RSQRYCAXKVNFBX-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135810243 771732763 /nfs/dbraw/zinc/73/27/63/771732763.db2.gz AZVWNBZBOFEDTC-ZIAGYGMSSA-N 2 1 311.389 1.387 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001091201136 772610918 /nfs/dbraw/zinc/61/09/18/772610918.db2.gz BFEASZMIKAAIHK-GPANFISMSA-N 2 1 309.454 1.156 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOCC ZINC001171307224 773148038 /nfs/dbraw/zinc/14/80/38/773148038.db2.gz HIFFDOVSUAJCNO-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCOCC ZINC001171307224 773148040 /nfs/dbraw/zinc/14/80/40/773148040.db2.gz HIFFDOVSUAJCNO-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073630988 773242801 /nfs/dbraw/zinc/24/28/01/773242801.db2.gz LPKVYMMELGDDKW-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073630988 773242807 /nfs/dbraw/zinc/24/28/07/773242807.db2.gz LPKVYMMELGDDKW-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073630988 773242812 /nfs/dbraw/zinc/24/28/12/773242812.db2.gz LPKVYMMELGDDKW-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633808 773246406 /nfs/dbraw/zinc/24/64/06/773246406.db2.gz HLJHUSLMAMGHNN-LSDHHAIUSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633808 773246408 /nfs/dbraw/zinc/24/64/08/773246408.db2.gz HLJHUSLMAMGHNN-LSDHHAIUSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755851 773380467 /nfs/dbraw/zinc/38/04/67/773380467.db2.gz LBQMYPSLXUWPDO-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801387 773423364 /nfs/dbraw/zinc/42/33/64/773423364.db2.gz KBGLVEIYFVULCL-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801387 773423367 /nfs/dbraw/zinc/42/33/67/773423367.db2.gz KBGLVEIYFVULCL-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801387 773423371 /nfs/dbraw/zinc/42/33/71/773423371.db2.gz KBGLVEIYFVULCL-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956793 773744201 /nfs/dbraw/zinc/74/42/01/773744201.db2.gz XRUUQYRNENRECQ-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091984754 773900093 /nfs/dbraw/zinc/90/00/93/773900093.db2.gz CGYVQUQBFBQTRD-NUJGCVRESA-N 2 1 307.482 1.929 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203780 774004973 /nfs/dbraw/zinc/00/49/73/774004973.db2.gz XKIAXZUSWSSRNF-ZBFHGGJFSA-N 2 1 323.868 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203780 774004977 /nfs/dbraw/zinc/00/49/77/774004977.db2.gz XKIAXZUSWSSRNF-ZBFHGGJFSA-N 2 1 323.868 1.615 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303029 774053167 /nfs/dbraw/zinc/05/31/67/774053167.db2.gz NXEOEKHPCFEQHW-LMMKCTJWSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)[C@H]1C ZINC001074661645 774054062 /nfs/dbraw/zinc/05/40/62/774054062.db2.gz CZUVCDBMYBKCSY-XEZPLFJOSA-N 2 1 315.421 1.002 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)[C@H]1C ZINC001074661645 774054066 /nfs/dbraw/zinc/05/40/66/774054066.db2.gz CZUVCDBMYBKCSY-XEZPLFJOSA-N 2 1 315.421 1.002 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001074686202 774066921 /nfs/dbraw/zinc/06/69/21/774066921.db2.gz YVJRVBDBZLDULQ-KKUMJFAQSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676515 774215092 /nfs/dbraw/zinc/21/50/92/774215092.db2.gz BUDMFQCWRCFJNO-RBSFLKMASA-N 2 1 302.422 1.631 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676515 774215095 /nfs/dbraw/zinc/21/50/95/774215095.db2.gz BUDMFQCWRCFJNO-RBSFLKMASA-N 2 1 302.422 1.631 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093226184 774537050 /nfs/dbraw/zinc/53/70/50/774537050.db2.gz XWZHJUXQDUMTGP-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093226184 774537052 /nfs/dbraw/zinc/53/70/52/774537052.db2.gz XWZHJUXQDUMTGP-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093226184 774537058 /nfs/dbraw/zinc/53/70/58/774537058.db2.gz XWZHJUXQDUMTGP-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4nccn43)CC[C@@H]21 ZINC001036771551 774562126 /nfs/dbraw/zinc/56/21/26/774562126.db2.gz JEDJMMGLBYXVKP-CVEARBPZSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820506 774725456 /nfs/dbraw/zinc/72/54/56/774725456.db2.gz KDYLPKBLXRQFBU-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820506 774725460 /nfs/dbraw/zinc/72/54/60/774725460.db2.gz KDYLPKBLXRQFBU-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820506 774725463 /nfs/dbraw/zinc/72/54/63/774725463.db2.gz KDYLPKBLXRQFBU-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836453 774813234 /nfs/dbraw/zinc/81/32/34/774813234.db2.gz QLJOPSKTYIRPBF-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842730 774895383 /nfs/dbraw/zinc/89/53/83/774895383.db2.gz UJMZDTZLWLUQMN-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842730 774895385 /nfs/dbraw/zinc/89/53/85/774895385.db2.gz UJMZDTZLWLUQMN-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001099262111 774922378 /nfs/dbraw/zinc/92/23/78/774922378.db2.gz DKCRHDIYTGBYEY-CHWSQXEVSA-N 2 1 319.371 1.636 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100678665 776432070 /nfs/dbraw/zinc/43/20/70/776432070.db2.gz SNMAPUORSXLOBG-KVULBXGLSA-N 2 1 309.429 1.317 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102013108 777794964 /nfs/dbraw/zinc/79/49/64/777794964.db2.gz LLTJCQNALNCKQI-BZUAXINKSA-N 2 1 313.461 1.927 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102377320 778106273 /nfs/dbraw/zinc/10/62/73/778106273.db2.gz ZIDJWKUQVZWCJJ-BNOWGMLFSA-N 2 1 301.862 1.763 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472113 778158219 /nfs/dbraw/zinc/15/82/19/778158219.db2.gz IREZZSAIZUFDBE-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472113 778158221 /nfs/dbraw/zinc/15/82/21/778158221.db2.gz IREZZSAIZUFDBE-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472113 778158223 /nfs/dbraw/zinc/15/82/23/778158223.db2.gz IREZZSAIZUFDBE-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001102524857 778184237 /nfs/dbraw/zinc/18/42/37/778184237.db2.gz ZTDFOIAGLDBYMO-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001102524857 778184241 /nfs/dbraw/zinc/18/42/41/778184241.db2.gz ZTDFOIAGLDBYMO-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001102524857 778184245 /nfs/dbraw/zinc/18/42/45/778184245.db2.gz ZTDFOIAGLDBYMO-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819418 778425902 /nfs/dbraw/zinc/42/59/02/778425902.db2.gz SWDVMKSEIWMCNP-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819418 778425905 /nfs/dbraw/zinc/42/59/05/778425905.db2.gz SWDVMKSEIWMCNP-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819418 778425908 /nfs/dbraw/zinc/42/59/08/778425908.db2.gz SWDVMKSEIWMCNP-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819418 778425911 /nfs/dbraw/zinc/42/59/11/778425911.db2.gz SWDVMKSEIWMCNP-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001177416275 778588534 /nfs/dbraw/zinc/58/85/34/778588534.db2.gz YRCMTEOXXVPOFJ-KRWDZBQOSA-N 2 1 319.493 1.960 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103718924 779009825 /nfs/dbraw/zinc/00/98/25/779009825.db2.gz KOGMRIJXEQPBPC-BPLDGKMQSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103718924 779009833 /nfs/dbraw/zinc/00/98/33/779009833.db2.gz KOGMRIJXEQPBPC-BPLDGKMQSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103718924 779009839 /nfs/dbraw/zinc/00/98/39/779009839.db2.gz KOGMRIJXEQPBPC-BPLDGKMQSA-N 2 1 313.873 1.765 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126429 779891140 /nfs/dbraw/zinc/89/11/40/779891140.db2.gz NJAWCJPGBQJLMZ-VQFNDLOPSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC001115128722 779891293 /nfs/dbraw/zinc/89/12/93/779891293.db2.gz QXUCSDBGYBFDMH-QLPKVWCKSA-N 2 1 314.433 1.774 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC001115128722 779891295 /nfs/dbraw/zinc/89/12/95/779891295.db2.gz QXUCSDBGYBFDMH-QLPKVWCKSA-N 2 1 314.433 1.774 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120140848 781780210 /nfs/dbraw/zinc/78/02/10/781780210.db2.gz NLGCHRNIRZWKKA-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267146118 837414513 /nfs/dbraw/zinc/41/45/13/837414513.db2.gz WRTVIQFMXSGZNV-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC/C=C\CC)C1 ZINC001266599405 836517178 /nfs/dbraw/zinc/51/71/78/836517178.db2.gz KADCIZFGUAEDTG-ORIYOMJCSA-N 2 1 303.450 1.677 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC/C=C\CC)C1 ZINC001266599405 836517190 /nfs/dbraw/zinc/51/71/90/836517190.db2.gz KADCIZFGUAEDTG-ORIYOMJCSA-N 2 1 303.450 1.677 20 30 DDEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266611251 836531687 /nfs/dbraw/zinc/53/16/87/836531687.db2.gz BEHJCEBOEAVDQI-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266611251 836531696 /nfs/dbraw/zinc/53/16/96/836531696.db2.gz BEHJCEBOEAVDQI-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266786248 836833600 /nfs/dbraw/zinc/83/36/00/836833600.db2.gz DJNKMVVFJDQOSD-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266868715 836970779 /nfs/dbraw/zinc/97/07/79/836970779.db2.gz ZQKNOQYUQXBPLB-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267086671 837316738 /nfs/dbraw/zinc/31/67/38/837316738.db2.gz BHEXFTKUNRYSLE-IRXDYDNUSA-N 2 1 323.481 1.692 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267113516 837374732 /nfs/dbraw/zinc/37/47/32/837374732.db2.gz NALHLIZGNXFISJ-DLBZAZTESA-N 2 1 323.481 1.145 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267567877 838321088 /nfs/dbraw/zinc/32/10/88/838321088.db2.gz GBCGTCIKGPMZFI-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267582171 838361700 /nfs/dbraw/zinc/36/17/00/838361700.db2.gz HIQUHJVFCBKSGM-CVEARBPZSA-N 2 1 311.445 1.470 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(CC)CC ZINC001268068663 839643608 /nfs/dbraw/zinc/64/36/08/839643608.db2.gz NZYGAAARTWGOLT-WBVHZDCISA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(CC)CC ZINC001268068663 839643614 /nfs/dbraw/zinc/64/36/14/839643614.db2.gz NZYGAAARTWGOLT-WBVHZDCISA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001268250996 839896750 /nfs/dbraw/zinc/89/67/50/839896750.db2.gz IOLOOJMAXBWXJQ-MSOLQXFVSA-N 2 1 315.461 1.908 20 30 DDEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268250996 839896756 /nfs/dbraw/zinc/89/67/56/839896756.db2.gz IOLOOJMAXBWXJQ-MSOLQXFVSA-N 2 1 315.461 1.908 20 30 DDEDMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001268250996 839896761 /nfs/dbraw/zinc/89/67/61/839896761.db2.gz IOLOOJMAXBWXJQ-MSOLQXFVSA-N 2 1 315.461 1.908 20 30 DDEDMP N#Cc1cccc(C[NH2+]C/C=C/CNC(=O)CCc2cnc[nH]2)c1 ZINC001268547608 840427782 /nfs/dbraw/zinc/42/77/82/840427782.db2.gz IAZCJBNXPOYUJN-OWOJBTEDSA-N 2 1 323.400 1.676 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001269252268 841425337 /nfs/dbraw/zinc/42/53/37/841425337.db2.gz WTUBHTLHWMQYKG-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001269672603 841921215 /nfs/dbraw/zinc/92/12/15/841921215.db2.gz XIFSTFHUEZQHKF-WMLDXEAASA-N 2 1 302.422 1.479 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269798016 842056193 /nfs/dbraw/zinc/05/61/93/842056193.db2.gz FWKXJRXXYHUSMK-LSDHHAIUSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269798012 842057375 /nfs/dbraw/zinc/05/73/75/842057375.db2.gz FWKXJRXXYHUSMK-GJZGRUSLSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001270308927 842473616 /nfs/dbraw/zinc/47/36/16/842473616.db2.gz OWQSCVGKRVENBD-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001270358357 842511927 /nfs/dbraw/zinc/51/19/27/842511927.db2.gz GYOBGOWGHDDUGK-MRXNPFEDSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCC1 ZINC001270403781 842548545 /nfs/dbraw/zinc/54/85/45/842548545.db2.gz LZNXSYVEEVLKLY-IRXDYDNUSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCC1 ZINC001270403781 842548555 /nfs/dbraw/zinc/54/85/55/842548555.db2.gz LZNXSYVEEVLKLY-IRXDYDNUSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001270991223 843117817 /nfs/dbraw/zinc/11/78/17/843117817.db2.gz LRGRJHSDGONAKZ-SFHVURJKSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001271049888 843162258 /nfs/dbraw/zinc/16/22/58/843162258.db2.gz CEDLUGWZAZILOO-UHFFFAOYSA-N 2 1 306.410 1.023 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001271099396 843212177 /nfs/dbraw/zinc/21/21/77/843212177.db2.gz CDFNGEQSURKDCN-AWEZNQCLSA-N 2 1 317.424 1.978 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001271099396 843212179 /nfs/dbraw/zinc/21/21/79/843212179.db2.gz CDFNGEQSURKDCN-AWEZNQCLSA-N 2 1 317.424 1.978 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001271099396 843212184 /nfs/dbraw/zinc/21/21/84/843212184.db2.gz CDFNGEQSURKDCN-AWEZNQCLSA-N 2 1 317.424 1.978 20 30 DDEDMP C#CCN1C(=O)C[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870108 847572499 /nfs/dbraw/zinc/57/24/99/847572499.db2.gz HUPIFPJATJCRNQ-SFHVURJKSA-N 2 1 319.449 1.049 20 30 DDEDMP C=CCN1CC[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038720 847824910 /nfs/dbraw/zinc/82/49/10/847824910.db2.gz HRWCOVNDQQEPGQ-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001273101038 847906997 /nfs/dbraw/zinc/90/69/97/847906997.db2.gz LVUFAMNJRAOLJY-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001273106155 847918479 /nfs/dbraw/zinc/91/84/79/847918479.db2.gz KWCWOZMFYXXFCB-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034210091 848117269 /nfs/dbraw/zinc/11/72/69/848117269.db2.gz MOTWTELJPOVIKU-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860415 861949952 /nfs/dbraw/zinc/94/99/52/861949952.db2.gz DDQLAUUITFLNMZ-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149860415 861949959 /nfs/dbraw/zinc/94/99/59/861949959.db2.gz DDQLAUUITFLNMZ-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001149860415 861949966 /nfs/dbraw/zinc/94/99/66/861949966.db2.gz DDQLAUUITFLNMZ-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001273840214 851407338 /nfs/dbraw/zinc/40/73/38/851407338.db2.gz IVMDEKANBZGTCK-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001274437885 852266943 /nfs/dbraw/zinc/26/69/43/852266943.db2.gz YJPXSIXYDZFKGB-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327970569 862601071 /nfs/dbraw/zinc/60/10/71/862601071.db2.gz DWLQQKMOGXFWJB-MRXNPFEDSA-N 2 1 321.440 1.994 20 30 DDEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001151412461 862762046 /nfs/dbraw/zinc/76/20/46/862762046.db2.gz FSAAITZAQZLLSB-UHFFFAOYSA-N 2 1 323.481 1.337 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813273 857741626 /nfs/dbraw/zinc/74/16/26/857741626.db2.gz KUMUMNOGZFMYSI-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454088 858348855 /nfs/dbraw/zinc/34/88/55/858348855.db2.gz FWIYULQWXJUQAS-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158474289 864676770 /nfs/dbraw/zinc/67/67/70/864676770.db2.gz WMDRFCYFIXJSOO-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158474289 864676778 /nfs/dbraw/zinc/67/67/78/864676778.db2.gz WMDRFCYFIXJSOO-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158474289 864676788 /nfs/dbraw/zinc/67/67/88/864676788.db2.gz WMDRFCYFIXJSOO-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC[NH+](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC#CCOC ZINC001158624906 864766820 /nfs/dbraw/zinc/76/68/20/864766820.db2.gz GXBOYQFPOIWDLX-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001331649008 865211119 /nfs/dbraw/zinc/21/11/19/865211119.db2.gz RSKOYPFLFIPRCL-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001225507104 881874873 /nfs/dbraw/zinc/87/48/73/881874873.db2.gz ZWVRABNRXIDWAQ-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001225507104 881874895 /nfs/dbraw/zinc/87/48/95/881874895.db2.gz ZWVRABNRXIDWAQ-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001159997373 865635230 /nfs/dbraw/zinc/63/52/30/865635230.db2.gz OCVAUCSMTNWHRB-UHFFFAOYSA-N 2 1 314.433 1.638 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001332218119 865672336 /nfs/dbraw/zinc/67/23/36/865672336.db2.gz JUCAMVUVVHPNBQ-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001160191423 865718560 /nfs/dbraw/zinc/71/85/60/865718560.db2.gz AMDTYBKERRGSBU-SFHVURJKSA-N 2 1 313.445 1.689 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C)c1 ZINC001160191423 865718568 /nfs/dbraw/zinc/71/85/68/865718568.db2.gz AMDTYBKERRGSBU-SFHVURJKSA-N 2 1 313.445 1.689 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1cccs1 ZINC001160209591 865731679 /nfs/dbraw/zinc/73/16/79/865731679.db2.gz RKVXVHVOXYAQKX-INIZCTEOSA-N 2 1 319.474 1.484 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1cccs1 ZINC001160209591 865731686 /nfs/dbraw/zinc/73/16/86/865731686.db2.gz RKVXVHVOXYAQKX-INIZCTEOSA-N 2 1 319.474 1.484 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001323047468 866294180 /nfs/dbraw/zinc/29/41/80/866294180.db2.gz OPHDHHXIZCZXQT-IRXDYDNUSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001333417752 866727958 /nfs/dbraw/zinc/72/79/58/866727958.db2.gz QWTTVNYMGHEJMF-INIZCTEOSA-N 2 1 303.450 1.632 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551612 866761677 /nfs/dbraw/zinc/76/16/77/866761677.db2.gz JRSJUPQAAISIPB-ZDUSSCGKSA-N 2 1 308.426 1.800 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324557136 867350951 /nfs/dbraw/zinc/35/09/51/867350951.db2.gz OQPRDQCOICJGEU-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001321392268 867556158 /nfs/dbraw/zinc/55/61/58/867556158.db2.gz MARRCWDEZYGVQS-YATRRXNKSA-N 2 1 312.417 1.272 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325054346 867727194 /nfs/dbraw/zinc/72/71/94/867727194.db2.gz NESOYECTAHCSAH-KGLIPLIRSA-N 2 1 315.408 1.423 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001325137694 867809424 /nfs/dbraw/zinc/80/94/24/867809424.db2.gz HWZQKJNRUAYHEJ-AEFFLSMTSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001325137694 867809429 /nfs/dbraw/zinc/80/94/29/867809429.db2.gz HWZQKJNRUAYHEJ-AEFFLSMTSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001325137694 867809443 /nfs/dbraw/zinc/80/94/43/867809443.db2.gz HWZQKJNRUAYHEJ-AEFFLSMTSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1C ZINC001325708842 868276668 /nfs/dbraw/zinc/27/66/68/868276668.db2.gz WRUNHPYHKOVOIL-UHFFFAOYSA-N 2 1 324.428 1.833 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC001336779306 869135953 /nfs/dbraw/zinc/13/59/53/869135953.db2.gz IWIWMOZGRLBKFU-UHFFFAOYSA-N 2 1 324.428 1.964 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164509235 869244472 /nfs/dbraw/zinc/24/44/72/869244472.db2.gz YCGJWXCRCBDQED-MRXNPFEDSA-N 2 1 305.466 1.759 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001166633872 870115643 /nfs/dbraw/zinc/11/56/43/870115643.db2.gz MCGQEXXUEOQHJU-HNNXBMFYSA-N 2 1 314.433 1.638 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317154274 870378235 /nfs/dbraw/zinc/37/82/35/870378235.db2.gz VLHMSWAUVZLOOM-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001317256300 870545166 /nfs/dbraw/zinc/54/51/66/870545166.db2.gz KZIHMKYAPAFIIV-PBHICJAKSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001317256300 870545177 /nfs/dbraw/zinc/54/51/77/870545177.db2.gz KZIHMKYAPAFIIV-PBHICJAKSA-N 2 1 317.408 1.518 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001317343583 870677796 /nfs/dbraw/zinc/67/77/96/870677796.db2.gz QMUUEKZUCPOEQI-AEFFLSMTSA-N 2 1 305.466 1.877 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317377335 870734724 /nfs/dbraw/zinc/73/47/24/870734724.db2.gz CBNPGHNXKPQYHE-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001316682389 871041273 /nfs/dbraw/zinc/04/12/73/871041273.db2.gz AVAVJEIIGRMEBT-WBVHZDCISA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001317648276 871306133 /nfs/dbraw/zinc/30/61/33/871306133.db2.gz RDKGWNVHUUTFAZ-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001317701856 871425776 /nfs/dbraw/zinc/42/57/76/871425776.db2.gz IUBDQRKKTRLNHG-MRXNPFEDSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001317701856 871425787 /nfs/dbraw/zinc/42/57/87/871425787.db2.gz IUBDQRKKTRLNHG-MRXNPFEDSA-N 2 1 316.449 1.604 20 30 DDEDMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001317763037 871476734 /nfs/dbraw/zinc/47/67/34/871476734.db2.gz HUMXOPXIZZIUER-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001317763037 871476738 /nfs/dbraw/zinc/47/67/38/871476738.db2.gz HUMXOPXIZZIUER-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001317763037 871476744 /nfs/dbraw/zinc/47/67/44/871476744.db2.gz HUMXOPXIZZIUER-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CCCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001317763037 871476750 /nfs/dbraw/zinc/47/67/50/871476750.db2.gz HUMXOPXIZZIUER-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001205473272 871573333 /nfs/dbraw/zinc/57/33/33/871573333.db2.gz SCXWCMGKCQYCAL-ZWKOTPCHSA-N 2 1 316.424 1.908 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC[C@@H](C)F)CC1 ZINC001205479154 871575683 /nfs/dbraw/zinc/57/56/83/871575683.db2.gz BPGNRLBDTOMYGC-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC[C@@H](C)F)CC1 ZINC001205479154 871575699 /nfs/dbraw/zinc/57/56/99/871575699.db2.gz BPGNRLBDTOMYGC-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205519130 871602230 /nfs/dbraw/zinc/60/22/30/871602230.db2.gz WOXJEJWBZWEPGX-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205519130 871602243 /nfs/dbraw/zinc/60/22/43/871602243.db2.gz WOXJEJWBZWEPGX-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518662 871603822 /nfs/dbraw/zinc/60/38/22/871603822.db2.gz GHVPGIMRJMISSS-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001316796280 872062241 /nfs/dbraw/zinc/06/22/41/872062241.db2.gz HOVCQSKCAJYJEV-NJAFHUGGSA-N 2 1 313.445 1.892 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001316796280 872062259 /nfs/dbraw/zinc/06/22/59/872062259.db2.gz HOVCQSKCAJYJEV-NJAFHUGGSA-N 2 1 313.445 1.892 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001316796280 872062280 /nfs/dbraw/zinc/06/22/80/872062280.db2.gz HOVCQSKCAJYJEV-NJAFHUGGSA-N 2 1 313.445 1.892 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281951 872183141 /nfs/dbraw/zinc/18/31/41/872183141.db2.gz PJGRAYMOBVJRIK-RDJZCZTQSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316883449 872201686 /nfs/dbraw/zinc/20/16/86/872201686.db2.gz YNVXWVBJVZORAL-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@H]1O ZINC001206476863 872363278 /nfs/dbraw/zinc/36/32/78/872363278.db2.gz WNQHLEPARIAYJH-MAUKXSAKSA-N 2 1 312.438 1.899 20 30 DDEDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@H]1O ZINC001206476863 872363298 /nfs/dbraw/zinc/36/32/98/872363298.db2.gz WNQHLEPARIAYJH-MAUKXSAKSA-N 2 1 312.438 1.899 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001206890598 872712892 /nfs/dbraw/zinc/71/28/92/872712892.db2.gz YZYFMTBTVQUOJG-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP COCC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319608935 872715989 /nfs/dbraw/zinc/71/59/89/872715989.db2.gz LFCMGHHLCHWLEK-BRWVUGGUSA-N 2 1 323.481 1.097 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001226781768 882648805 /nfs/dbraw/zinc/64/88/05/882648805.db2.gz AOCLOHWLROYDTK-OAGGEKHMSA-N 2 1 319.453 1.016 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001207617731 873419523 /nfs/dbraw/zinc/41/95/23/873419523.db2.gz XTWSJLSGWGMGDI-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001207617731 873419530 /nfs/dbraw/zinc/41/95/30/873419530.db2.gz XTWSJLSGWGMGDI-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001207617731 873419534 /nfs/dbraw/zinc/41/95/34/873419534.db2.gz XTWSJLSGWGMGDI-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014199 873749898 /nfs/dbraw/zinc/74/98/98/873749898.db2.gz NHPADNZQGKVLOH-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114779 873852063 /nfs/dbraw/zinc/85/20/63/873852063.db2.gz UYQRAUUSCORKNV-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001281138381 873906253 /nfs/dbraw/zinc/90/62/53/873906253.db2.gz RIIOCLXHIDIFTG-SFHVURJKSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334494 874024624 /nfs/dbraw/zinc/02/46/24/874024624.db2.gz JDSMUTUDQRSIJD-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C[N@H+]2C1 ZINC001347617680 874215090 /nfs/dbraw/zinc/21/50/90/874215090.db2.gz OUQKHZONUKUBBN-RBSFLKMASA-N 2 1 304.438 1.211 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2CCc1ccc(C#N)cc1 ZINC001208927134 874527434 /nfs/dbraw/zinc/52/74/34/874527434.db2.gz QKKPNXHQKXXQEI-MOPGFXCFSA-N 2 1 312.461 1.811 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001276711586 876342492 /nfs/dbraw/zinc/34/24/92/876342492.db2.gz KSURZECPYMBDMX-SJORKVTESA-N 2 1 301.434 1.960 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037402 877885595 /nfs/dbraw/zinc/88/55/95/877885595.db2.gz IUSXZBKNXASOKA-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCCC3)[C@H]2C1 ZINC001219037402 877885606 /nfs/dbraw/zinc/88/56/06/877885606.db2.gz IUSXZBKNXASOKA-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922789 878596240 /nfs/dbraw/zinc/59/62/40/878596240.db2.gz HENLFBQNSBGSNS-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922789 878596246 /nfs/dbraw/zinc/59/62/46/878596246.db2.gz HENLFBQNSBGSNS-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922789 878596253 /nfs/dbraw/zinc/59/62/53/878596253.db2.gz HENLFBQNSBGSNS-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)[C@@H]2C1 ZINC001221603376 879967406 /nfs/dbraw/zinc/96/74/06/879967406.db2.gz GHXGETJEKBHMAN-GDBMZVCRSA-N 2 1 318.421 1.078 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616912 879972874 /nfs/dbraw/zinc/97/28/74/879972874.db2.gz WAGLQMFSXDQLFO-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950186 880162517 /nfs/dbraw/zinc/16/25/17/880162517.db2.gz WZRGNLMJSZGWSF-BRWVUGGUSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001222618632 880604274 /nfs/dbraw/zinc/60/42/74/880604274.db2.gz WEFAOTHWUGRHEQ-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001222618632 880604287 /nfs/dbraw/zinc/60/42/87/880604287.db2.gz WEFAOTHWUGRHEQ-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001222618632 880604295 /nfs/dbraw/zinc/60/42/95/880604295.db2.gz WEFAOTHWUGRHEQ-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799863 880704497 /nfs/dbraw/zinc/70/44/97/880704497.db2.gz QASPIDSEIBHURN-PMPSAXMXSA-N 2 1 311.445 1.775 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229116425 883826950 /nfs/dbraw/zinc/82/69/50/883826950.db2.gz SBKZDOIAMIIXDZ-IAGOWNOFSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230628043 884666510 /nfs/dbraw/zinc/66/65/10/884666510.db2.gz GILAUGHZPCQHQR-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628043 884666520 /nfs/dbraw/zinc/66/65/20/884666520.db2.gz GILAUGHZPCQHQR-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628043 884666524 /nfs/dbraw/zinc/66/65/24/884666524.db2.gz GILAUGHZPCQHQR-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512376 888699476 /nfs/dbraw/zinc/69/94/76/888699476.db2.gz KBRWTDFFNXGTBG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512376 888699481 /nfs/dbraw/zinc/69/94/81/888699481.db2.gz KBRWTDFFNXGTBG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235512376 888699487 /nfs/dbraw/zinc/69/94/87/888699487.db2.gz KBRWTDFFNXGTBG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235512376 888699494 /nfs/dbraw/zinc/69/94/94/888699494.db2.gz KBRWTDFFNXGTBG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246303107 892525278 /nfs/dbraw/zinc/52/52/78/892525278.db2.gz GWUHVJMFSORKDE-SOLBZPMBSA-N 3 1 323.481 1.725 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1ccncc1 ZINC001246305763 892528709 /nfs/dbraw/zinc/52/87/09/892528709.db2.gz IYIAIYREQZXWDE-ZBFHGGJFSA-N 2 1 305.422 1.829 20 30 DDEDMP C=C[C@@](C)(O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001252552069 895268987 /nfs/dbraw/zinc/26/89/87/895268987.db2.gz SKWLAPCQBCWBSH-QGZVFWFLSA-N 2 1 322.453 1.104 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001252595450 895300116 /nfs/dbraw/zinc/30/01/16/895300116.db2.gz HYMYXXDCFYQBKM-KRWDZBQOSA-N 2 1 318.465 1.664 20 30 DDEDMP CC(C)NC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001254076485 896249444 /nfs/dbraw/zinc/24/94/44/896249444.db2.gz DQZARODKIUJARG-UHFFFAOYSA-N 2 1 319.478 1.645 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC001255362319 896864831 /nfs/dbraw/zinc/86/48/31/896864831.db2.gz CLEWKRCMIBKAGO-XHSDSOJGSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC001255362319 896864843 /nfs/dbraw/zinc/86/48/43/896864843.db2.gz CLEWKRCMIBKAGO-XHSDSOJGSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)C1 ZINC001255362319 896864853 /nfs/dbraw/zinc/86/48/53/896864853.db2.gz CLEWKRCMIBKAGO-XHSDSOJGSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[NH+](CC)C[C@H]2C)C1 ZINC001255362319 896864860 /nfs/dbraw/zinc/86/48/60/896864860.db2.gz CLEWKRCMIBKAGO-XHSDSOJGSA-N 2 1 306.454 1.208 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256630345 897513594 /nfs/dbraw/zinc/51/35/94/897513594.db2.gz TZSACYDULXGIEC-LSVZVQIISA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256630345 897513599 /nfs/dbraw/zinc/51/35/99/897513599.db2.gz TZSACYDULXGIEC-LSVZVQIISA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256630345 897513604 /nfs/dbraw/zinc/51/36/04/897513604.db2.gz TZSACYDULXGIEC-LSVZVQIISA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256630345 897513608 /nfs/dbraw/zinc/51/36/08/897513608.db2.gz TZSACYDULXGIEC-LSVZVQIISA-N 2 1 307.438 1.988 20 30 DDEDMP C=C1C[C@@H]2CC([NH2+]CCC(=O)N3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257888353 897969517 /nfs/dbraw/zinc/96/95/17/897969517.db2.gz HTBWQFQVWDUXKY-SJPCQFCGSA-N 2 1 305.466 1.875 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cccc(C#N)c1 ZINC001390842191 900332312 /nfs/dbraw/zinc/33/23/12/900332312.db2.gz GCNYPAMVTZBSDO-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001390842191 900332323 /nfs/dbraw/zinc/33/23/23/900332323.db2.gz GCNYPAMVTZBSDO-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001390842191 900332340 /nfs/dbraw/zinc/33/23/40/900332340.db2.gz GCNYPAMVTZBSDO-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1OCC ZINC001263975716 900852083 /nfs/dbraw/zinc/85/20/83/900852083.db2.gz NVEFLAFDCWKMEC-HZPDHXFCSA-N 2 1 320.437 1.221 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001264424849 901112404 /nfs/dbraw/zinc/11/24/04/901112404.db2.gz WRDOMCQOLFHPET-QBPKDAKJSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001264435585 901123824 /nfs/dbraw/zinc/12/38/24/901123824.db2.gz OYCDENJJYARMTI-KOMQPUFPSA-N 2 1 323.400 1.389 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001369442024 901303758 /nfs/dbraw/zinc/30/37/58/901303758.db2.gz KJIKDPXPJWFTPY-KBPBESRZSA-N 2 1 301.862 1.955 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001369442027 901304308 /nfs/dbraw/zinc/30/43/08/901304308.db2.gz KJIKDPXPJWFTPY-KGLIPLIRSA-N 2 1 301.862 1.955 20 30 DDEDMP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001264745562 901326988 /nfs/dbraw/zinc/32/69/88/901326988.db2.gz KZMYUMHEGUBOPY-IRXDYDNUSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265235883 901758966 /nfs/dbraw/zinc/75/89/66/901758966.db2.gz YJGYDZPZRBVQNU-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC001265408820 901981669 /nfs/dbraw/zinc/98/16/69/901981669.db2.gz VCGUQOVFSJMTMV-CALCHBBNSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001265408820 901981684 /nfs/dbraw/zinc/98/16/84/901981684.db2.gz VCGUQOVFSJMTMV-CALCHBBNSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001265408820 901981697 /nfs/dbraw/zinc/98/16/97/901981697.db2.gz VCGUQOVFSJMTMV-CALCHBBNSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001265408820 901981714 /nfs/dbraw/zinc/98/17/14/901981714.db2.gz VCGUQOVFSJMTMV-CALCHBBNSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001265493889 902070615 /nfs/dbraw/zinc/07/06/15/902070615.db2.gz GJFRSLRPHLLPAH-QAQDUYKDSA-N 2 1 301.434 1.584 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001265707677 902325163 /nfs/dbraw/zinc/32/51/63/902325163.db2.gz DMZYDTNEMWBPBY-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001265813383 902430534 /nfs/dbraw/zinc/43/05/34/902430534.db2.gz PSMPWPRLWBMEOM-NVXWUHKLSA-N 2 1 305.466 1.901 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001265971209 902681087 /nfs/dbraw/zinc/68/10/87/902681087.db2.gz DOABEFPTJQAAES-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1C#N ZINC001265971209 902681095 /nfs/dbraw/zinc/68/10/95/902681095.db2.gz DOABEFPTJQAAES-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1C#N ZINC001265971209 902681104 /nfs/dbraw/zinc/68/11/04/902681104.db2.gz DOABEFPTJQAAES-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccns1 ZINC001266153173 903033105 /nfs/dbraw/zinc/03/31/05/903033105.db2.gz ZMDOYUFPWWJUOH-ZFWWWQNUSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccns1 ZINC001266153173 903033122 /nfs/dbraw/zinc/03/31/22/903033122.db2.gz ZMDOYUFPWWJUOH-ZFWWWQNUSA-N 2 1 320.462 1.225 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001279582523 903335370 /nfs/dbraw/zinc/33/53/70/903335370.db2.gz QQGVQXNVXXSMQR-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001279582523 903335380 /nfs/dbraw/zinc/33/53/80/903335380.db2.gz QQGVQXNVXXSMQR-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001279582523 903335393 /nfs/dbraw/zinc/33/53/93/903335393.db2.gz QQGVQXNVXXSMQR-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001280039913 903496792 /nfs/dbraw/zinc/49/67/92/903496792.db2.gz DTWJXYRKTVGWPA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001371880156 905914028 /nfs/dbraw/zinc/91/40/28/905914028.db2.gz MCGIBONKUXGPPJ-YOEHRIQHSA-N 2 1 314.433 1.494 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001282997640 906430208 /nfs/dbraw/zinc/43/02/08/906430208.db2.gz WXUAGSUBFPOUQL-KDURUIRLSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001282997640 906430220 /nfs/dbraw/zinc/43/02/20/906430220.db2.gz WXUAGSUBFPOUQL-KDURUIRLSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001282997640 906430230 /nfs/dbraw/zinc/43/02/30/906430230.db2.gz WXUAGSUBFPOUQL-KDURUIRLSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001284725692 909401525 /nfs/dbraw/zinc/40/15/25/909401525.db2.gz CAMJQMHWLLNOLT-GJZGRUSLSA-N 2 1 316.449 1.828 20 30 DDEDMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001284818617 909523860 /nfs/dbraw/zinc/52/38/60/909523860.db2.gz JATRUHFLNWALMD-DAWZGUTISA-N 2 1 313.445 1.892 20 30 DDEDMP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(C#N)s1 ZINC001377340735 921095312 /nfs/dbraw/zinc/09/53/12/921095312.db2.gz RGPOWAYKWHVFHI-UHFFFAOYSA-N 2 1 308.451 1.510 20 30 DDEDMP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1ccc(C#N)s1 ZINC001377340735 921095323 /nfs/dbraw/zinc/09/53/23/921095323.db2.gz RGPOWAYKWHVFHI-UHFFFAOYSA-N 2 1 308.451 1.510 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)CC[C@H]1CCCO1)CC[C@H]1CCCO1 ZINC000342126079 529823406 /nfs/dbraw/zinc/82/34/06/529823406.db2.gz JPKFXENYQXFHJN-QZTJIDSGSA-N 2 1 308.466 1.992 20 30 DDEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccs1 ZINC000080834247 353633177 /nfs/dbraw/zinc/63/31/77/353633177.db2.gz PCFZDIYAUMTDKW-UHFFFAOYSA-N 2 1 324.494 1.652 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000594989577 356368875 /nfs/dbraw/zinc/36/88/75/356368875.db2.gz OFTZXDUVGBYHKF-INIZCTEOSA-N 2 1 306.454 1.420 20 30 DDEDMP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602510019 359019916 /nfs/dbraw/zinc/01/99/16/359019916.db2.gz IGBOGUMARLPTRX-UHFFFAOYSA-N 2 1 301.438 1.461 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000611515368 360742946 /nfs/dbraw/zinc/74/29/46/360742946.db2.gz RTTLVAWBIMPPME-UXLLHSPISA-N 2 1 310.401 1.205 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000611515368 360742952 /nfs/dbraw/zinc/74/29/52/360742952.db2.gz RTTLVAWBIMPPME-UXLLHSPISA-N 2 1 310.401 1.205 20 30 DDEDMP CCC[C@]1(C)CCCN(C(NC[C@@H]2C[N@@H+](C)CCN2C)=[NH+]C)C1 ZINC000262045349 284048664 /nfs/dbraw/zinc/04/86/64/284048664.db2.gz YWEIOZJKZQDFTG-SJLPKXTDSA-N 2 1 323.529 1.710 20 30 DDEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH+]=C(N(C)C)N(C)C)c2)CCO1 ZINC000104180128 407348625 /nfs/dbraw/zinc/34/86/25/407348625.db2.gz PGGLZQHNKOHWFD-HNNXBMFYSA-N 2 1 318.465 1.887 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]=C(N(C)C)N(C)C)c2)CCO1 ZINC000104180128 407348626 /nfs/dbraw/zinc/34/86/26/407348626.db2.gz PGGLZQHNKOHWFD-HNNXBMFYSA-N 2 1 318.465 1.887 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000170905420 407552757 /nfs/dbraw/zinc/55/27/57/407552757.db2.gz UEBAYJVOZFZFAK-ZDUSSCGKSA-N 2 1 302.422 1.584 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000153118045 407755903 /nfs/dbraw/zinc/75/59/03/407755903.db2.gz SUJBIFQOOOORIX-HNNXBMFYSA-N 2 1 311.495 1.580 20 30 DDEDMP CO[C@@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000342118033 409563985 /nfs/dbraw/zinc/56/39/85/409563985.db2.gz CFOAWQMYAUADGS-ROUUACIJSA-N 2 1 308.466 1.992 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000352665880 410671545 /nfs/dbraw/zinc/67/15/45/410671545.db2.gz GFPYSGOGYRNZKL-QZTJIDSGSA-N 2 1 306.498 1.042 20 30 DDEDMP CCC[C@H](C#N)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000580447589 422933563 /nfs/dbraw/zinc/93/35/63/422933563.db2.gz LWEBDRRJWUTLEZ-MRXNPFEDSA-N 2 1 320.481 1.991 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261671269 222253608 /nfs/dbraw/zinc/25/36/08/222253608.db2.gz CAAMZGJVZPEWGA-YQQAZPJKSA-N 3 1 321.513 1.366 20 30 DDEDMP C[NH+]=C(NCC[NH+]1CCC[C@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261671269 222253610 /nfs/dbraw/zinc/25/36/10/222253610.db2.gz CAAMZGJVZPEWGA-YQQAZPJKSA-N 3 1 321.513 1.366 20 30 DDEDMP C[NH+]=C(NCC[NH+]1CCC[C@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261671269 222253612 /nfs/dbraw/zinc/25/36/12/222253612.db2.gz CAAMZGJVZPEWGA-YQQAZPJKSA-N 3 1 321.513 1.366 20 30 DDEDMP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261671269 222253614 /nfs/dbraw/zinc/25/36/14/222253614.db2.gz CAAMZGJVZPEWGA-YQQAZPJKSA-N 2 1 321.513 1.366 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261671269 222253618 /nfs/dbraw/zinc/25/36/18/222253618.db2.gz CAAMZGJVZPEWGA-YQQAZPJKSA-N 2 1 321.513 1.366 20 30 DDEDMP C#CCNC(NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)=[NH+]C ZINC000262754151 222291358 /nfs/dbraw/zinc/29/13/58/222291358.db2.gz CRHBGLNGPRRMIY-UHFFFAOYSA-N 2 1 317.437 1.302 20 30 DDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)C1 ZINC000264098479 222317368 /nfs/dbraw/zinc/31/73/68/222317368.db2.gz NCSSAEBLYIWMCV-GFCCVEGCSA-N 2 1 306.410 1.772 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OC)c1OC ZINC000264118375 222320400 /nfs/dbraw/zinc/32/04/00/222320400.db2.gz QJKDCTPVZJBHMJ-AWEZNQCLSA-N 2 1 320.437 1.592 20 30 DDEDMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000375722746 418677340 /nfs/dbraw/zinc/67/73/40/418677340.db2.gz BANCVGWWJVLGJL-INIZCTEOSA-N 2 1 320.481 1.945 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000375722746 418677341 /nfs/dbraw/zinc/67/73/41/418677341.db2.gz BANCVGWWJVLGJL-INIZCTEOSA-N 2 1 320.481 1.945 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(Cl)c(C#N)n1 ZINC000596362058 422376284 /nfs/dbraw/zinc/37/62/84/422376284.db2.gz YHLUOBJNOYEFDV-LBPRGKRZSA-N 2 1 309.845 2.291 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(Cl)c(C#N)n1 ZINC000596362058 422376287 /nfs/dbraw/zinc/37/62/87/422376287.db2.gz YHLUOBJNOYEFDV-LBPRGKRZSA-N 2 1 309.845 2.291 20 30 DDEDMP C=CC[C@@]1(C(=O)NCCCCN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662759464 424758878 /nfs/dbraw/zinc/75/88/78/424758878.db2.gz XKHCZEXMZZIGAP-SFHVURJKSA-N 2 1 322.497 1.219 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491308079 275380135 /nfs/dbraw/zinc/38/01/35/275380135.db2.gz SKNKMPTWQZYNGK-BBWFWOEESA-N 2 1 323.481 1.192 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491308079 275380136 /nfs/dbraw/zinc/38/01/36/275380136.db2.gz SKNKMPTWQZYNGK-BBWFWOEESA-N 2 1 323.481 1.192 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491308079 275380137 /nfs/dbraw/zinc/38/01/37/275380137.db2.gz SKNKMPTWQZYNGK-BBWFWOEESA-N 2 1 323.481 1.192 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491308079 275380138 /nfs/dbraw/zinc/38/01/38/275380138.db2.gz SKNKMPTWQZYNGK-BBWFWOEESA-N 2 1 323.481 1.192 20 30 DDEDMP C#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000289221366 275387803 /nfs/dbraw/zinc/38/78/03/275387803.db2.gz JIQOXXZMQUYFLO-GOSISDBHSA-N 2 1 313.445 1.700 20 30 DDEDMP C#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000289221366 275387804 /nfs/dbraw/zinc/38/78/04/275387804.db2.gz JIQOXXZMQUYFLO-GOSISDBHSA-N 2 1 313.445 1.700 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N(C)C ZINC000264060907 276184122 /nfs/dbraw/zinc/18/41/22/276184122.db2.gz CUQVOXJGIUNJIL-UONOGXRCSA-N 2 1 323.510 1.739 20 30 DDEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)COC ZINC000661244457 484996635 /nfs/dbraw/zinc/99/66/35/484996635.db2.gz SXPCQADWRFBQPA-AWEZNQCLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)COC ZINC000661244457 484996641 /nfs/dbraw/zinc/99/66/41/484996641.db2.gz SXPCQADWRFBQPA-AWEZNQCLSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000491295811 526812079 /nfs/dbraw/zinc/81/20/79/526812079.db2.gz IUQHVONNHVTRBC-UHFFFAOYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000491451258 526825529 /nfs/dbraw/zinc/82/55/29/526825529.db2.gz FCVSRTPSTNMGIC-UHFFFAOYSA-N 2 1 309.454 1.788 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000491451258 526825532 /nfs/dbraw/zinc/82/55/32/526825532.db2.gz FCVSRTPSTNMGIC-UHFFFAOYSA-N 2 1 309.454 1.788 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956659 695766831 /nfs/dbraw/zinc/76/68/31/695766831.db2.gz QXOIVXQDRJKOBP-GOEBONIOSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956659 695766832 /nfs/dbraw/zinc/76/68/32/695766832.db2.gz QXOIVXQDRJKOBP-GOEBONIOSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970373 695770471 /nfs/dbraw/zinc/77/04/71/695770471.db2.gz KDOBMKUXWUHGPC-CABCVRRESA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970373 695770472 /nfs/dbraw/zinc/77/04/72/695770472.db2.gz KDOBMKUXWUHGPC-CABCVRRESA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970373 695770473 /nfs/dbraw/zinc/77/04/73/695770473.db2.gz KDOBMKUXWUHGPC-CABCVRRESA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970373 695770474 /nfs/dbraw/zinc/77/04/74/695770474.db2.gz KDOBMKUXWUHGPC-CABCVRRESA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977613111 696234522 /nfs/dbraw/zinc/23/45/22/696234522.db2.gz IDXROGMKSMBGDO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977613111 696234525 /nfs/dbraw/zinc/23/45/25/696234525.db2.gz IDXROGMKSMBGDO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977613111 696234527 /nfs/dbraw/zinc/23/45/27/696234527.db2.gz IDXROGMKSMBGDO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977613111 696234530 /nfs/dbraw/zinc/23/45/30/696234530.db2.gz IDXROGMKSMBGDO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)CC2(C)C)CC1 ZINC000977654831 696245794 /nfs/dbraw/zinc/24/57/94/696245794.db2.gz NENDYCAZHFUUBW-MRXNPFEDSA-N 2 1 323.456 1.518 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979089657 696493968 /nfs/dbraw/zinc/49/39/68/696493968.db2.gz OAZVSINRIVMWIU-NNZMDNLPSA-N 2 1 313.445 1.842 20 30 DDEDMP C[NH+]=C(NCCc1csc(C)n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083125464 696551655 /nfs/dbraw/zinc/55/16/55/696551655.db2.gz YETGXFCEXCGNFA-GFCCVEGCSA-N 2 1 307.467 1.396 20 30 DDEDMP C[NH+]=C(NCCc1csc(C)n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083125464 696551656 /nfs/dbraw/zinc/55/16/56/696551656.db2.gz YETGXFCEXCGNFA-GFCCVEGCSA-N 2 1 307.467 1.396 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](C(C)C)C2 ZINC000981818770 696929301 /nfs/dbraw/zinc/92/93/01/696929301.db2.gz CMJOTMHSTPEVJO-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](C(C)C)C2 ZINC000981818770 696929302 /nfs/dbraw/zinc/92/93/02/696929302.db2.gz CMJOTMHSTPEVJO-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C(C)C)C2 ZINC000981818770 696929303 /nfs/dbraw/zinc/92/93/03/696929303.db2.gz CMJOTMHSTPEVJO-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](C(C)C)C2 ZINC000981818770 696929304 /nfs/dbraw/zinc/92/93/04/696929304.db2.gz CMJOTMHSTPEVJO-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982054903 697016203 /nfs/dbraw/zinc/01/62/03/697016203.db2.gz KVOLREVWKZSRQB-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982062964 697019321 /nfs/dbraw/zinc/01/93/21/697019321.db2.gz FWDPVOGDXCCMOR-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062964 697019325 /nfs/dbraw/zinc/01/93/25/697019325.db2.gz FWDPVOGDXCCMOR-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062964 697019329 /nfs/dbraw/zinc/01/93/29/697019329.db2.gz FWDPVOGDXCCMOR-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981227116 697040401 /nfs/dbraw/zinc/04/04/01/697040401.db2.gz DGJHEUATUNCJMU-KGLIPLIRSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982162688 697046041 /nfs/dbraw/zinc/04/60/41/697046041.db2.gz ZKSMLLWDLPBSOE-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982300375 697087296 /nfs/dbraw/zinc/08/72/96/697087296.db2.gz XGVPHFGQACKPOI-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300375 697087298 /nfs/dbraw/zinc/08/72/98/697087298.db2.gz XGVPHFGQACKPOI-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982300375 697087300 /nfs/dbraw/zinc/08/73/00/697087300.db2.gz XGVPHFGQACKPOI-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553780 697149568 /nfs/dbraw/zinc/14/95/68/697149568.db2.gz QFFMEINURIWVOF-PBWTXFEYSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553780 697149569 /nfs/dbraw/zinc/14/95/69/697149569.db2.gz QFFMEINURIWVOF-PBWTXFEYSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553780 697149571 /nfs/dbraw/zinc/14/95/71/697149571.db2.gz QFFMEINURIWVOF-PBWTXFEYSA-N 2 1 317.477 1.378 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982556523 697149725 /nfs/dbraw/zinc/14/97/25/697149725.db2.gz HBBBAPDLLCFILX-CIRFHOKZSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982556523 697149727 /nfs/dbraw/zinc/14/97/27/697149727.db2.gz HBBBAPDLLCFILX-CIRFHOKZSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982556523 697149728 /nfs/dbraw/zinc/14/97/28/697149728.db2.gz HBBBAPDLLCFILX-CIRFHOKZSA-N 2 1 305.466 1.541 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000985702505 697558759 /nfs/dbraw/zinc/55/87/59/697558759.db2.gz VFDYYGFSVVLUDK-UHFFFAOYSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000987271720 698067153 /nfs/dbraw/zinc/06/71/53/698067153.db2.gz ZYOUEJUSIGEZHN-CJNGLKHVSA-N 2 1 309.373 1.093 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989192958 698553444 /nfs/dbraw/zinc/55/34/44/698553444.db2.gz HLTJXJBORKOZSN-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000303791438 698607559 /nfs/dbraw/zinc/60/75/59/698607559.db2.gz XODBKECWWCCQPW-JKSUJKDBSA-N 3 1 311.518 1.741 20 30 DDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)N(C)C ZINC000303791438 698607561 /nfs/dbraw/zinc/60/75/61/698607561.db2.gz XODBKECWWCCQPW-JKSUJKDBSA-N 2 1 311.518 1.741 20 30 DDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)N(C)C ZINC000303791438 698607565 /nfs/dbraw/zinc/60/75/65/698607565.db2.gz XODBKECWWCCQPW-JKSUJKDBSA-N 2 1 311.518 1.741 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303883629 698609136 /nfs/dbraw/zinc/60/91/36/698609136.db2.gz IRMJXFVAMRZJHU-YESZJQIVSA-N 3 1 323.529 1.743 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC000989735015 698745374 /nfs/dbraw/zinc/74/53/74/698745374.db2.gz OIHHSGWIGHYROO-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000786225770 699135195 /nfs/dbraw/zinc/13/51/95/699135195.db2.gz CKKFHZZORPTKMN-SFHVURJKSA-N 2 1 313.445 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000786225770 699135197 /nfs/dbraw/zinc/13/51/97/699135197.db2.gz CKKFHZZORPTKMN-SFHVURJKSA-N 2 1 313.445 1.505 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000732058219 699545115 /nfs/dbraw/zinc/54/51/15/699545115.db2.gz PHTSYBROYBYRKO-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000732058219 699545117 /nfs/dbraw/zinc/54/51/17/699545117.db2.gz PHTSYBROYBYRKO-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000801916108 700352628 /nfs/dbraw/zinc/35/26/28/700352628.db2.gz RNJJAVBNQLOXBC-IXDOHACOSA-N 2 1 308.470 1.405 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000801916108 700352633 /nfs/dbraw/zinc/35/26/33/700352633.db2.gz RNJJAVBNQLOXBC-IXDOHACOSA-N 2 1 308.470 1.405 20 30 DDEDMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000879569211 706720791 /nfs/dbraw/zinc/72/07/91/706720791.db2.gz LDIYHTBYTARPGH-KGLIPLIRSA-N 2 1 318.446 1.974 20 30 DDEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000857235017 704567876 /nfs/dbraw/zinc/56/78/76/704567876.db2.gz WTMIULMIHKIPCF-JKSUJKDBSA-N 2 1 309.454 1.520 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+](C)C1CC1 ZINC000876750592 705857070 /nfs/dbraw/zinc/85/70/70/705857070.db2.gz IVWDOJDFQBXUCK-PXAZEXFGSA-N 2 1 312.417 1.344 20 30 DDEDMP C=CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883185053 707950055 /nfs/dbraw/zinc/95/00/55/707950055.db2.gz NCZZKGYUQRTJFE-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000884131048 708153216 /nfs/dbraw/zinc/15/32/16/708153216.db2.gz ZOMJQXDAFRVNCT-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000884131048 708153218 /nfs/dbraw/zinc/15/32/18/708153218.db2.gz ZOMJQXDAFRVNCT-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000884131048 708153220 /nfs/dbraw/zinc/15/32/20/708153220.db2.gz ZOMJQXDAFRVNCT-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000884131048 708153222 /nfs/dbraw/zinc/15/32/22/708153222.db2.gz ZOMJQXDAFRVNCT-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H]1C ZINC000884225841 708199233 /nfs/dbraw/zinc/19/92/33/708199233.db2.gz DVLITHRZWIZXKH-HCBPCCMXSA-N 2 1 318.465 1.457 20 30 DDEDMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884228945 708200671 /nfs/dbraw/zinc/20/06/71/708200671.db2.gz CZHSBKOKJRZVKI-CTMQZQKCSA-N 2 1 318.465 1.316 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000884233208 708202694 /nfs/dbraw/zinc/20/26/94/708202694.db2.gz LSZXTVGKJBJJEM-HRCADAONSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000884233208 708202697 /nfs/dbraw/zinc/20/26/97/708202697.db2.gz LSZXTVGKJBJJEM-HRCADAONSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000884303563 708234441 /nfs/dbraw/zinc/23/44/41/708234441.db2.gz RJFBUGJOONHQNB-MRXNPFEDSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000884303563 708234444 /nfs/dbraw/zinc/23/44/44/708234444.db2.gz RJFBUGJOONHQNB-MRXNPFEDSA-N 2 1 320.481 1.505 20 30 DDEDMP N#CC1(C[C@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)CCC1 ZINC000886239566 708722064 /nfs/dbraw/zinc/72/20/64/708722064.db2.gz ZWNCVBLLNGECOJ-INIZCTEOSA-N 2 1 321.465 1.258 20 30 DDEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000887133235 708967638 /nfs/dbraw/zinc/96/76/38/708967638.db2.gz WUQXCNBVAPTRAY-OAHLLOKOSA-N 2 1 315.421 1.354 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000890368055 709841011 /nfs/dbraw/zinc/84/10/11/709841011.db2.gz ANJIPOWVUVDIJW-IXDOHACOSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000890368055 709841014 /nfs/dbraw/zinc/84/10/14/709841014.db2.gz ANJIPOWVUVDIJW-IXDOHACOSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000890368055 709841019 /nfs/dbraw/zinc/84/10/19/709841019.db2.gz ANJIPOWVUVDIJW-IXDOHACOSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000890368055 709841022 /nfs/dbraw/zinc/84/10/22/709841022.db2.gz ANJIPOWVUVDIJW-IXDOHACOSA-N 2 1 320.481 1.456 20 30 DDEDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C#N)ccn1 ZINC000902794489 710903443 /nfs/dbraw/zinc/90/34/43/710903443.db2.gz WNSULUSAGFGQBO-HNNXBMFYSA-N 2 1 301.438 1.631 20 30 DDEDMP C#CC[NH+]1CCC(NC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000905657142 712108461 /nfs/dbraw/zinc/10/84/61/712108461.db2.gz YROQTERCZVVMBO-OAHLLOKOSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000919628741 713623426 /nfs/dbraw/zinc/62/34/26/713623426.db2.gz XURJXTSTQATWOH-INIZCTEOSA-N 2 1 318.465 1.210 20 30 DDEDMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931316766 714064864 /nfs/dbraw/zinc/06/48/64/714064864.db2.gz KBKWBOKKJXWKJZ-ZACQAIPSSA-N 2 1 321.465 1.331 20 30 DDEDMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931316766 714064866 /nfs/dbraw/zinc/06/48/66/714064866.db2.gz KBKWBOKKJXWKJZ-ZACQAIPSSA-N 2 1 321.465 1.331 20 30 DDEDMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931316766 714064867 /nfs/dbraw/zinc/06/48/67/714064867.db2.gz KBKWBOKKJXWKJZ-ZACQAIPSSA-N 2 1 321.465 1.331 20 30 DDEDMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000931316766 714064869 /nfs/dbraw/zinc/06/48/69/714064869.db2.gz KBKWBOKKJXWKJZ-ZACQAIPSSA-N 2 1 321.465 1.331 20 30 DDEDMP C[NH+](C)C1(C)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000931356016 714074971 /nfs/dbraw/zinc/07/49/71/714074971.db2.gz XZTQULBOMYGJFH-OAHLLOKOSA-N 2 1 309.454 1.474 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933736534 714659001 /nfs/dbraw/zinc/65/90/01/714659001.db2.gz VXJBORPDXPHCFZ-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933736534 714659002 /nfs/dbraw/zinc/65/90/02/714659002.db2.gz VXJBORPDXPHCFZ-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933736534 714659003 /nfs/dbraw/zinc/65/90/03/714659003.db2.gz VXJBORPDXPHCFZ-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555688 716619507 /nfs/dbraw/zinc/61/95/07/716619507.db2.gz MIOHPBXVORSVFI-DLBZAZTESA-N 2 1 323.481 1.092 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961193759 716856887 /nfs/dbraw/zinc/85/68/87/716856887.db2.gz CIUIIASJNYJRQY-DLBZAZTESA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961193759 716856892 /nfs/dbraw/zinc/85/68/92/716856892.db2.gz CIUIIASJNYJRQY-DLBZAZTESA-N 2 1 314.433 1.385 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279525 716892817 /nfs/dbraw/zinc/89/28/17/716892817.db2.gz FCLOPYICIGVCGU-IRXDYDNUSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279525 716892820 /nfs/dbraw/zinc/89/28/20/716892820.db2.gz FCLOPYICIGVCGU-IRXDYDNUSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940914390 717025788 /nfs/dbraw/zinc/02/57/88/717025788.db2.gz MHLFJGSAMJMJIF-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169107 717120793 /nfs/dbraw/zinc/12/07/93/717120793.db2.gz IXPDWRXZKZKCPL-MRXNPFEDSA-N 2 1 314.433 1.611 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941231758 717135081 /nfs/dbraw/zinc/13/50/81/717135081.db2.gz WCCTZGAAVOEVMO-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231758 717135083 /nfs/dbraw/zinc/13/50/83/717135083.db2.gz WCCTZGAAVOEVMO-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231758 717135084 /nfs/dbraw/zinc/13/50/84/717135084.db2.gz WCCTZGAAVOEVMO-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231758 717135085 /nfs/dbraw/zinc/13/50/85/717135085.db2.gz WCCTZGAAVOEVMO-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231758 717135087 /nfs/dbraw/zinc/13/50/87/717135087.db2.gz WCCTZGAAVOEVMO-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961922482 717250577 /nfs/dbraw/zinc/25/05/77/717250577.db2.gz LAKQLBNXCRVQOK-FOLVSLTJSA-N 2 1 302.422 1.629 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961922482 717250581 /nfs/dbraw/zinc/25/05/81/717250581.db2.gz LAKQLBNXCRVQOK-FOLVSLTJSA-N 2 1 302.422 1.629 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000961942694 717256926 /nfs/dbraw/zinc/25/69/26/717256926.db2.gz DFNIUNZSHWKUPL-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961942694 717256929 /nfs/dbraw/zinc/25/69/29/717256929.db2.gz DFNIUNZSHWKUPL-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961942694 717256933 /nfs/dbraw/zinc/25/69/33/717256933.db2.gz DFNIUNZSHWKUPL-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518581 717714937 /nfs/dbraw/zinc/71/49/37/717714937.db2.gz UEEPEEAREOKYKE-RHSMWYFYSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943517013 718135237 /nfs/dbraw/zinc/13/52/37/718135237.db2.gz NKZNNNDDZHNWLO-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)C[C@H]2C)CC1 ZINC000945178116 718414995 /nfs/dbraw/zinc/41/49/95/718414995.db2.gz FEVIQAASVMTPBR-AEFFLSMTSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264340 718804475 /nfs/dbraw/zinc/80/44/75/718804475.db2.gz JNVAHOQHFGIBJL-YOEHRIQHSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946592251 718845706 /nfs/dbraw/zinc/84/57/06/718845706.db2.gz DXXZYFCOAWFCDH-FGTMMUONSA-N 2 1 315.461 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946678004 718875879 /nfs/dbraw/zinc/87/58/79/718875879.db2.gz SEXVQDLXYNVRPF-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946678004 718875885 /nfs/dbraw/zinc/87/58/85/718875885.db2.gz SEXVQDLXYNVRPF-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000947310245 719113552 /nfs/dbraw/zinc/11/35/52/719113552.db2.gz OADPCRNOPCYPRL-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC000948069047 719348823 /nfs/dbraw/zinc/34/88/23/719348823.db2.gz AYTKPSVGKRNHRU-SJLPKXTDSA-N 2 1 315.461 1.324 20 30 DDEDMP Cc1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(C#N)c1 ZINC001164685270 719607463 /nfs/dbraw/zinc/60/74/63/719607463.db2.gz UOXAGZGDJIKQSY-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP Cc1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(C#N)c1 ZINC001164685270 719607468 /nfs/dbraw/zinc/60/74/68/719607468.db2.gz UOXAGZGDJIKQSY-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970026549 720603246 /nfs/dbraw/zinc/60/32/46/720603246.db2.gz GHWBHCRTVGFDQI-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH+]1CC([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970655270 720872822 /nfs/dbraw/zinc/87/28/22/720872822.db2.gz QYCBJRPZCWHLEN-ZDUSSCGKSA-N 2 1 311.389 1.503 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C/C=C/Cl)C2)CC1 ZINC000970919075 720988006 /nfs/dbraw/zinc/98/80/06/720988006.db2.gz BGYKPMMXEMDMHV-GBXSZLQWSA-N 2 1 323.868 1.521 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972672870 735456642 /nfs/dbraw/zinc/45/66/42/735456642.db2.gz BGFLYJVOXDYMHG-GOSISDBHSA-N 2 1 321.465 1.352 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577676 738425700 /nfs/dbraw/zinc/42/57/00/738425700.db2.gz QMMKJGHFKYPCSO-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577676 738425702 /nfs/dbraw/zinc/42/57/02/738425702.db2.gz QMMKJGHFKYPCSO-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001020400268 732321877 /nfs/dbraw/zinc/32/18/77/732321877.db2.gz KCVNIQRTWVQBAD-HDJSIYSDSA-N 2 1 302.422 1.575 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114988934 734433499 /nfs/dbraw/zinc/43/34/99/734433499.db2.gz NDLDUNVSLMFRHD-LTIDMASMSA-N 2 1 307.482 1.975 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022220496 734439031 /nfs/dbraw/zinc/43/90/31/734439031.db2.gz GUDFKMAXVFRCTE-KSZLIROESA-N 2 1 315.461 1.821 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001022220496 734439034 /nfs/dbraw/zinc/43/90/34/734439034.db2.gz GUDFKMAXVFRCTE-KSZLIROESA-N 2 1 315.461 1.821 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027981323 738903558 /nfs/dbraw/zinc/90/35/58/738903558.db2.gz MAHMULADDXKMCF-GJZGRUSLSA-N 2 1 300.406 1.049 20 30 DDEDMP CC#CCN1CCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027981323 738903561 /nfs/dbraw/zinc/90/35/61/738903561.db2.gz MAHMULADDXKMCF-GJZGRUSLSA-N 2 1 300.406 1.049 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024619707 735986957 /nfs/dbraw/zinc/98/69/57/735986957.db2.gz AXMFDTMVMNTRRW-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619707 735986953 /nfs/dbraw/zinc/98/69/53/735986953.db2.gz AXMFDTMVMNTRRW-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024619707 735986960 /nfs/dbraw/zinc/98/69/60/735986960.db2.gz AXMFDTMVMNTRRW-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763087 736074639 /nfs/dbraw/zinc/07/46/39/736074639.db2.gz ZHKCSWGGQIAWES-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001024763087 736074644 /nfs/dbraw/zinc/07/46/44/736074644.db2.gz ZHKCSWGGQIAWES-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024814777 736106036 /nfs/dbraw/zinc/10/60/36/736106036.db2.gz XTVBNNYEAQBZFL-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024814777 736106037 /nfs/dbraw/zinc/10/60/37/736106037.db2.gz XTVBNNYEAQBZFL-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024814777 736106039 /nfs/dbraw/zinc/10/60/39/736106039.db2.gz XTVBNNYEAQBZFL-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024814777 736106041 /nfs/dbraw/zinc/10/60/41/736106041.db2.gz XTVBNNYEAQBZFL-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676302 736509308 /nfs/dbraw/zinc/50/93/08/736509308.db2.gz DKZIDCQLJCWKNU-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]12 ZINC001026285223 737297687 /nfs/dbraw/zinc/29/76/87/737297687.db2.gz YGTBWJTVNXJTIW-DJIMGWMZSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001027468289 738321087 /nfs/dbraw/zinc/32/10/87/738321087.db2.gz AXSFMRWIPOHHSQ-GJZGRUSLSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027468289 738321089 /nfs/dbraw/zinc/32/10/89/738321089.db2.gz AXSFMRWIPOHHSQ-GJZGRUSLSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027468289 738321092 /nfs/dbraw/zinc/32/10/92/738321092.db2.gz AXSFMRWIPOHHSQ-GJZGRUSLSA-N 2 1 316.449 1.932 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103488 739039560 /nfs/dbraw/zinc/03/95/60/739039560.db2.gz PLLZVHWRAOUBQN-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103488 739039563 /nfs/dbraw/zinc/03/95/63/739039563.db2.gz PLLZVHWRAOUBQN-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587096 739699752 /nfs/dbraw/zinc/69/97/52/739699752.db2.gz GFWDIRPBGZWUQQ-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587096 739699754 /nfs/dbraw/zinc/69/97/54/739699754.db2.gz GFWDIRPBGZWUQQ-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587096 739699755 /nfs/dbraw/zinc/69/97/55/739699755.db2.gz GFWDIRPBGZWUQQ-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590861 739723324 /nfs/dbraw/zinc/72/33/24/739723324.db2.gz HMDCTNPPERCGAO-LSDHHAIUSA-N 2 1 300.406 1.222 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590861 739723326 /nfs/dbraw/zinc/72/33/26/739723326.db2.gz HMDCTNPPERCGAO-LSDHHAIUSA-N 2 1 300.406 1.222 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028593519 739751939 /nfs/dbraw/zinc/75/19/39/739751939.db2.gz ZXKXQVNGCGEGJC-WBVHZDCISA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028593519 739751940 /nfs/dbraw/zinc/75/19/40/739751940.db2.gz ZXKXQVNGCGEGJC-WBVHZDCISA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028593519 739751943 /nfs/dbraw/zinc/75/19/43/739751943.db2.gz ZXKXQVNGCGEGJC-WBVHZDCISA-N 2 1 321.465 1.254 20 30 DDEDMP CC(C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)C(=O)NO ZINC001167981724 740337534 /nfs/dbraw/zinc/33/75/34/740337534.db2.gz GSUPLDCLYWNGGV-UYTSQGDYSA-N 2 1 309.454 1.902 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001088202415 741104714 /nfs/dbraw/zinc/10/47/14/741104714.db2.gz ZWESNOWMMGQLBO-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202415 741104716 /nfs/dbraw/zinc/10/47/16/741104716.db2.gz ZWESNOWMMGQLBO-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202415 741104717 /nfs/dbraw/zinc/10/47/17/741104717.db2.gz ZWESNOWMMGQLBO-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621813 742019751 /nfs/dbraw/zinc/01/97/51/742019751.db2.gz UZGQIJVFIQOKCE-ZACQAIPSSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621813 742019758 /nfs/dbraw/zinc/01/97/58/742019758.db2.gz UZGQIJVFIQOKCE-ZACQAIPSSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621813 742019763 /nfs/dbraw/zinc/01/97/63/742019763.db2.gz UZGQIJVFIQOKCE-ZACQAIPSSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076323351 742666806 /nfs/dbraw/zinc/66/68/06/742666806.db2.gz OPDSLEBDFDJGCT-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076323351 742666809 /nfs/dbraw/zinc/66/68/09/742666809.db2.gz OPDSLEBDFDJGCT-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576583 742799492 /nfs/dbraw/zinc/79/94/92/742799492.db2.gz RFCPMDXQGVCILP-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576583 742799496 /nfs/dbraw/zinc/79/94/96/742799496.db2.gz RFCPMDXQGVCILP-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CN1CC(OC2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001105730035 743766862 /nfs/dbraw/zinc/76/68/62/743766862.db2.gz GIWGTLLUGDTNFV-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183256412 743811092 /nfs/dbraw/zinc/81/10/92/743811092.db2.gz WCPFSLMZWKPABK-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106120267 744739051 /nfs/dbraw/zinc/73/90/51/744739051.db2.gz SANKFKBSAUTOIZ-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189810770 744989315 /nfs/dbraw/zinc/98/93/15/744989315.db2.gz GKGVFVITQHULIE-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480974 745222620 /nfs/dbraw/zinc/22/26/20/745222620.db2.gz OJFIJABCVRCIKP-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551975 745547837 /nfs/dbraw/zinc/54/78/37/745547837.db2.gz RMHNAEPUUHQTMS-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551975 745547838 /nfs/dbraw/zinc/54/78/38/745547838.db2.gz RMHNAEPUUHQTMS-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551975 745547840 /nfs/dbraw/zinc/54/78/40/745547840.db2.gz RMHNAEPUUHQTMS-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334970 745783184 /nfs/dbraw/zinc/78/31/84/745783184.db2.gz LSCZTXRFIHCXSM-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334970 745783188 /nfs/dbraw/zinc/78/31/88/745783188.db2.gz LSCZTXRFIHCXSM-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334970 745783193 /nfs/dbraw/zinc/78/31/93/745783193.db2.gz LSCZTXRFIHCXSM-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106594504 745820275 /nfs/dbraw/zinc/82/02/75/745820275.db2.gz SQLIBDZZZFHMJE-FVQBIDKESA-N 2 1 316.449 1.624 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099239788 745834235 /nfs/dbraw/zinc/83/42/35/745834235.db2.gz JXNSPUTVLLNVFV-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598052 745837660 /nfs/dbraw/zinc/83/76/60/745837660.db2.gz ZTIQQSMIHLPOBC-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598052 745837666 /nfs/dbraw/zinc/83/76/66/745837666.db2.gz ZTIQQSMIHLPOBC-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666687 745885575 /nfs/dbraw/zinc/88/55/75/745885575.db2.gz QRPFMCMRZJFLHQ-UMVBOHGHSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194028286 746257062 /nfs/dbraw/zinc/25/70/62/746257062.db2.gz XAAHNKMADRLZBO-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCF)C2)CC1 ZINC001194246264 746319751 /nfs/dbraw/zinc/31/97/51/746319751.db2.gz KFAHAJFGADAVLU-INIZCTEOSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCC)C2)CC1 ZINC001194247320 746319772 /nfs/dbraw/zinc/31/97/72/746319772.db2.gz WNMDLWODOBVZRF-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993926582 746377569 /nfs/dbraw/zinc/37/75/69/746377569.db2.gz JRTDBMKHDHLGLV-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006547 746510184 /nfs/dbraw/zinc/51/01/84/746510184.db2.gz LSAYRIVJZBAHNN-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC=C)[C@H]2C)CC1 ZINC000994500351 746696914 /nfs/dbraw/zinc/69/69/14/746696914.db2.gz RDWCHOGULGUXEB-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536360 747165311 /nfs/dbraw/zinc/16/53/11/747165311.db2.gz BYMKZXOTRWPABT-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536360 747165316 /nfs/dbraw/zinc/16/53/16/747165316.db2.gz BYMKZXOTRWPABT-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536360 747165318 /nfs/dbraw/zinc/16/53/18/747165318.db2.gz BYMKZXOTRWPABT-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007490756 752170120 /nfs/dbraw/zinc/17/01/20/752170120.db2.gz FJOVLNSFYRTPNF-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007490756 752170124 /nfs/dbraw/zinc/17/01/24/752170124.db2.gz FJOVLNSFYRTPNF-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001036109324 752179393 /nfs/dbraw/zinc/17/93/93/752179393.db2.gz AZAYQTAGDLRZEG-BXUZGUMPSA-N 2 1 310.829 1.771 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)C2)C1 ZINC001031742326 747634597 /nfs/dbraw/zinc/63/45/97/747634597.db2.gz AVZYIPZLXKYJQA-DQPZFDDXSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)C2)C1 ZINC001031742326 747634601 /nfs/dbraw/zinc/63/46/01/747634601.db2.gz AVZYIPZLXKYJQA-DQPZFDDXSA-N 2 1 303.450 1.178 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031921099 748215062 /nfs/dbraw/zinc/21/50/62/748215062.db2.gz HSNCAWHHKPJWKA-MRXNPFEDSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479606 748253889 /nfs/dbraw/zinc/25/38/89/748253889.db2.gz SBZCUMZRZRKIDR-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200851595 748359164 /nfs/dbraw/zinc/35/91/64/748359164.db2.gz PNIHIZVRCMNBEL-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201404462 748500378 /nfs/dbraw/zinc/50/03/78/748500378.db2.gz VIYNRXRSHIVWBL-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141593 748527943 /nfs/dbraw/zinc/52/79/43/748527943.db2.gz NQXOUXKZUFMGBV-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141593 748527948 /nfs/dbraw/zinc/52/79/48/748527948.db2.gz NQXOUXKZUFMGBV-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141593 748527953 /nfs/dbraw/zinc/52/79/53/748527953.db2.gz NQXOUXKZUFMGBV-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004622435 748589282 /nfs/dbraw/zinc/58/92/82/748589282.db2.gz NALMLMAZYOGMAV-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004622435 748589287 /nfs/dbraw/zinc/58/92/87/748589287.db2.gz NALMLMAZYOGMAV-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004622435 748589292 /nfs/dbraw/zinc/58/92/92/748589292.db2.gz NALMLMAZYOGMAV-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616630 748829822 /nfs/dbraw/zinc/82/98/22/748829822.db2.gz MATUYWMDTVJKBK-FPCVCCKLSA-N 2 1 311.445 1.964 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256294 749060815 /nfs/dbraw/zinc/06/08/15/749060815.db2.gz RLXADLAIWPESBX-MRXNPFEDSA-N 2 1 323.400 1.437 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108324795 761915927 /nfs/dbraw/zinc/91/59/27/761915927.db2.gz FSAHFXMDHVNCEU-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108324795 761915933 /nfs/dbraw/zinc/91/59/33/761915933.db2.gz FSAHFXMDHVNCEU-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108324795 761915942 /nfs/dbraw/zinc/91/59/42/761915942.db2.gz FSAHFXMDHVNCEU-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033853813 749990074 /nfs/dbraw/zinc/99/00/74/749990074.db2.gz DCVUHXFYIUTGEV-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033853813 749990079 /nfs/dbraw/zinc/99/00/79/749990079.db2.gz DCVUHXFYIUTGEV-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033853813 749990083 /nfs/dbraw/zinc/99/00/83/749990083.db2.gz DCVUHXFYIUTGEV-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033875323 750009638 /nfs/dbraw/zinc/00/96/38/750009638.db2.gz QKUTXMRVVQZGCQ-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033875323 750009644 /nfs/dbraw/zinc/00/96/44/750009644.db2.gz QKUTXMRVVQZGCQ-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033875323 750009649 /nfs/dbraw/zinc/00/96/49/750009649.db2.gz QKUTXMRVVQZGCQ-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033875323 750009657 /nfs/dbraw/zinc/00/96/57/750009657.db2.gz QKUTXMRVVQZGCQ-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039411357 762009165 /nfs/dbraw/zinc/00/91/65/762009165.db2.gz RDFQQIZBFRVJSS-SQNIBIBYSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001039411357 762009175 /nfs/dbraw/zinc/00/91/75/762009175.db2.gz RDFQQIZBFRVJSS-SQNIBIBYSA-N 2 1 315.461 1.559 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111144456 750389092 /nfs/dbraw/zinc/38/90/92/750389092.db2.gz XTABGPPJSAUTPG-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111144456 750389099 /nfs/dbraw/zinc/38/90/99/750389099.db2.gz XTABGPPJSAUTPG-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941661 750742663 /nfs/dbraw/zinc/74/26/63/750742663.db2.gz KREKZTULGZASOP-WMZOPIPTSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941661 750742667 /nfs/dbraw/zinc/74/26/67/750742667.db2.gz KREKZTULGZASOP-WMZOPIPTSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941661 750742670 /nfs/dbraw/zinc/74/26/70/750742670.db2.gz KREKZTULGZASOP-WMZOPIPTSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941661 750742679 /nfs/dbraw/zinc/74/26/79/750742679.db2.gz KREKZTULGZASOP-WMZOPIPTSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001000676765 762080553 /nfs/dbraw/zinc/08/05/53/762080553.db2.gz QUGNCYZUJDKANS-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035228238 751307312 /nfs/dbraw/zinc/30/73/12/751307312.db2.gz GLCYCTPQCZTCAI-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035228238 751307316 /nfs/dbraw/zinc/30/73/16/751307316.db2.gz GLCYCTPQCZTCAI-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035228238 751307320 /nfs/dbraw/zinc/30/73/20/751307320.db2.gz GLCYCTPQCZTCAI-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620972 752541735 /nfs/dbraw/zinc/54/17/35/752541735.db2.gz GQAWDXRALZFQOS-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620972 752541740 /nfs/dbraw/zinc/54/17/40/752541740.db2.gz GQAWDXRALZFQOS-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620972 752541744 /nfs/dbraw/zinc/54/17/44/752541744.db2.gz GQAWDXRALZFQOS-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620972 752541747 /nfs/dbraw/zinc/54/17/47/752541747.db2.gz GQAWDXRALZFQOS-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999143979 752557886 /nfs/dbraw/zinc/55/78/86/752557886.db2.gz SAWLHYCDCNAJOM-KUNBBXKYSA-N 2 1 319.449 1.005 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416265 752626763 /nfs/dbraw/zinc/62/67/63/752626763.db2.gz GCWVVRUMUJNKEW-USXIJHARSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284024 752652642 /nfs/dbraw/zinc/65/26/42/752652642.db2.gz XEFSSUIRBUGBJT-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284024 752652647 /nfs/dbraw/zinc/65/26/47/752652647.db2.gz XEFSSUIRBUGBJT-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284024 752652651 /nfs/dbraw/zinc/65/26/51/752652651.db2.gz XEFSSUIRBUGBJT-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284024 752652653 /nfs/dbraw/zinc/65/26/53/752652653.db2.gz XEFSSUIRBUGBJT-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001000839742 762252199 /nfs/dbraw/zinc/25/21/99/762252199.db2.gz GMYCKMCSCVWOFU-DLBZAZTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001000839742 762252203 /nfs/dbraw/zinc/25/22/03/762252203.db2.gz GMYCKMCSCVWOFU-DLBZAZTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001000839742 762252206 /nfs/dbraw/zinc/25/22/06/762252206.db2.gz GMYCKMCSCVWOFU-DLBZAZTESA-N 2 1 301.434 1.385 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000843323 762256659 /nfs/dbraw/zinc/25/66/59/762256659.db2.gz VYHJCBQTNHLFHI-SJORKVTESA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000843323 762256665 /nfs/dbraw/zinc/25/66/65/762256665.db2.gz VYHJCBQTNHLFHI-SJORKVTESA-N 2 1 303.450 1.938 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001080456300 755934422 /nfs/dbraw/zinc/93/44/22/755934422.db2.gz XVNXBHIDVTWUKC-CRAIPNDOSA-N 2 1 313.445 1.474 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244244 762455845 /nfs/dbraw/zinc/45/58/45/762455845.db2.gz HYENBAIHYVEANP-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244244 762455848 /nfs/dbraw/zinc/45/58/48/762455848.db2.gz HYENBAIHYVEANP-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244244 762455850 /nfs/dbraw/zinc/45/58/50/762455850.db2.gz HYENBAIHYVEANP-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082018820 756598137 /nfs/dbraw/zinc/59/81/37/756598137.db2.gz WIIPJMJWNIADSY-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329634 762491117 /nfs/dbraw/zinc/49/11/17/762491117.db2.gz WKGJLYSPHHFGKB-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082699735 756895209 /nfs/dbraw/zinc/89/52/09/756895209.db2.gz UYDQHFJMSPFZCX-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083939035 757193406 /nfs/dbraw/zinc/19/34/06/757193406.db2.gz VETKNIJMXJHFEF-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083939035 757193409 /nfs/dbraw/zinc/19/34/09/757193409.db2.gz VETKNIJMXJHFEF-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939035 757193413 /nfs/dbraw/zinc/19/34/13/757193413.db2.gz VETKNIJMXJHFEF-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939035 757193417 /nfs/dbraw/zinc/19/34/17/757193417.db2.gz VETKNIJMXJHFEF-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651644 757235106 /nfs/dbraw/zinc/23/51/06/757235106.db2.gz JROHWDRZEBAOJX-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001016671250 757254317 /nfs/dbraw/zinc/25/43/17/757254317.db2.gz VWFANSFYAKPYDU-DLBZAZTESA-N 2 1 313.445 1.078 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001016671250 757254322 /nfs/dbraw/zinc/25/43/22/757254322.db2.gz VWFANSFYAKPYDU-DLBZAZTESA-N 2 1 313.445 1.078 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016792635 757357294 /nfs/dbraw/zinc/35/72/94/757357294.db2.gz UMOVHLLNLNFOEY-JYJNAYRXSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC001119380556 757469241 /nfs/dbraw/zinc/46/92/41/757469241.db2.gz CEPWBPFOBQZQOX-HUUCEWRRSA-N 2 1 308.470 1.360 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC001119380556 757469246 /nfs/dbraw/zinc/46/92/46/757469246.db2.gz CEPWBPFOBQZQOX-HUUCEWRRSA-N 2 1 308.470 1.360 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357173 757511461 /nfs/dbraw/zinc/51/14/61/757511461.db2.gz NAMFPHRBVVTDSY-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357173 757511469 /nfs/dbraw/zinc/51/14/69/757511469.db2.gz NAMFPHRBVVTDSY-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357173 757511474 /nfs/dbraw/zinc/51/14/74/757511474.db2.gz NAMFPHRBVVTDSY-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406007 757563431 /nfs/dbraw/zinc/56/34/31/757563431.db2.gz CFQJRLMLBNNJDM-BZUAXINKSA-N 2 1 314.433 1.869 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406007 757563439 /nfs/dbraw/zinc/56/34/39/757563439.db2.gz CFQJRLMLBNNJDM-BZUAXINKSA-N 2 1 314.433 1.869 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090398696 757647648 /nfs/dbraw/zinc/64/76/48/757647648.db2.gz HJEDSGMEKVDDMJ-HOTGVXAUSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706522 757669480 /nfs/dbraw/zinc/66/94/80/757669480.db2.gz ULEKAVJXAHWLQE-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706522 757669484 /nfs/dbraw/zinc/66/94/84/757669484.db2.gz ULEKAVJXAHWLQE-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052767096 757744410 /nfs/dbraw/zinc/74/44/10/757744410.db2.gz RWVRBDSZDJMWDS-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143219 762587799 /nfs/dbraw/zinc/58/77/99/762587799.db2.gz DOZOHQXXITXKJK-MRXNPFEDSA-N 2 1 314.433 1.688 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143219 762587805 /nfs/dbraw/zinc/58/78/05/762587805.db2.gz DOZOHQXXITXKJK-MRXNPFEDSA-N 2 1 314.433 1.688 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017617195 758085242 /nfs/dbraw/zinc/08/52/42/758085242.db2.gz IQXUVTFULJQYQG-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017617195 758085250 /nfs/dbraw/zinc/08/52/50/758085250.db2.gz IQXUVTFULJQYQG-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017617195 758085260 /nfs/dbraw/zinc/08/52/60/758085260.db2.gz IQXUVTFULJQYQG-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941659 758086293 /nfs/dbraw/zinc/08/62/93/758086293.db2.gz VZSRUGNLSVZPSP-KURKYZTESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962578 758100533 /nfs/dbraw/zinc/10/05/33/758100533.db2.gz WOFLKSAOXYMYAG-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962578 758100535 /nfs/dbraw/zinc/10/05/35/758100535.db2.gz WOFLKSAOXYMYAG-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962578 758100536 /nfs/dbraw/zinc/10/05/36/758100536.db2.gz WOFLKSAOXYMYAG-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C[C@@H]21 ZINC001084975732 758115149 /nfs/dbraw/zinc/11/51/49/758115149.db2.gz QMRGRHYMESAPQH-OAGGEKHMSA-N 2 1 312.417 1.002 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115302823 762636104 /nfs/dbraw/zinc/63/61/04/762636104.db2.gz VXRMGRSOCBYZAW-LTIDMASMSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040747714 762670026 /nfs/dbraw/zinc/67/00/26/762670026.db2.gz UWWDSURINNITMW-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129532 759203145 /nfs/dbraw/zinc/20/31/45/759203145.db2.gz SYBBXWDFNPYRJD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129532 759203147 /nfs/dbraw/zinc/20/31/47/759203147.db2.gz SYBBXWDFNPYRJD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001054129532 759203149 /nfs/dbraw/zinc/20/31/49/759203149.db2.gz SYBBXWDFNPYRJD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145080 759222061 /nfs/dbraw/zinc/22/20/61/759222061.db2.gz JSCWRTZDIOAXRF-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145080 759222070 /nfs/dbraw/zinc/22/20/70/759222070.db2.gz JSCWRTZDIOAXRF-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145080 759222079 /nfs/dbraw/zinc/22/20/79/759222079.db2.gz JSCWRTZDIOAXRF-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC001054147081 759226738 /nfs/dbraw/zinc/22/67/38/759226738.db2.gz JIDBBFCAAUUSEZ-WMZOPIPTSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001054147081 759226744 /nfs/dbraw/zinc/22/67/44/759226744.db2.gz JIDBBFCAAUUSEZ-WMZOPIPTSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCF)C2)C1 ZINC001054147081 759226748 /nfs/dbraw/zinc/22/67/48/759226748.db2.gz JIDBBFCAAUUSEZ-WMZOPIPTSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCF)C2)C1 ZINC001054147081 759226754 /nfs/dbraw/zinc/22/67/54/759226754.db2.gz JIDBBFCAAUUSEZ-WMZOPIPTSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219448 759305390 /nfs/dbraw/zinc/30/53/90/759305390.db2.gz NWJWAGZNOFOZTD-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241073 759333523 /nfs/dbraw/zinc/33/35/23/759333523.db2.gz JPQXCIMLFSGYKH-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241073 759333533 /nfs/dbraw/zinc/33/35/33/759333533.db2.gz JPQXCIMLFSGYKH-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875733 760431194 /nfs/dbraw/zinc/43/11/94/760431194.db2.gz IJFLGKIJZBESRT-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875733 760431198 /nfs/dbraw/zinc/43/11/98/760431198.db2.gz IJFLGKIJZBESRT-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001020250355 760722793 /nfs/dbraw/zinc/72/27/93/760722793.db2.gz DBELASKAKTWEPK-ULQDDVLXSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001020250355 760722800 /nfs/dbraw/zinc/72/28/00/760722800.db2.gz DBELASKAKTWEPK-ULQDDVLXSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC(=C)C)C2)CC1 ZINC001046850612 767984098 /nfs/dbraw/zinc/98/40/98/767984098.db2.gz XZQITOGHWYXRAA-LJQANCHMSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039137902 761772219 /nfs/dbraw/zinc/77/22/19/761772219.db2.gz UDZZVUNDFVMFEQ-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040936962 762737991 /nfs/dbraw/zinc/73/79/91/762737991.db2.gz RKCQUJKIHGUMIB-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704164 762858927 /nfs/dbraw/zinc/85/89/27/762858927.db2.gz CXGPJDLQLXBRHR-UXLLHSPISA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001474464 762896239 /nfs/dbraw/zinc/89/62/39/762896239.db2.gz ZJNGNYPBADTBON-QGZVFWFLSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041302384 762945829 /nfs/dbraw/zinc/94/58/29/762945829.db2.gz WFHIRSBCGFLZBL-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041302384 762945831 /nfs/dbraw/zinc/94/58/31/762945831.db2.gz WFHIRSBCGFLZBL-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041302384 762945833 /nfs/dbraw/zinc/94/58/33/762945833.db2.gz WFHIRSBCGFLZBL-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359954 762979891 /nfs/dbraw/zinc/97/98/91/762979891.db2.gz WIWXVQCIIVARHZ-MAUKXSAKSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359954 762979892 /nfs/dbraw/zinc/97/98/92/762979892.db2.gz WIWXVQCIIVARHZ-MAUKXSAKSA-N 2 1 312.417 1.318 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041408567 763010727 /nfs/dbraw/zinc/01/07/27/763010727.db2.gz MTQQWXUTVIWMTM-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041408567 763010729 /nfs/dbraw/zinc/01/07/29/763010729.db2.gz MTQQWXUTVIWMTM-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041408567 763010732 /nfs/dbraw/zinc/01/07/32/763010732.db2.gz MTQQWXUTVIWMTM-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041832233 763384863 /nfs/dbraw/zinc/38/48/63/763384863.db2.gz UWGHWYBTEFALNH-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041832233 763384872 /nfs/dbraw/zinc/38/48/72/763384872.db2.gz UWGHWYBTEFALNH-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041832233 763384882 /nfs/dbraw/zinc/38/48/82/763384882.db2.gz UWGHWYBTEFALNH-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046954112 768149153 /nfs/dbraw/zinc/14/91/53/768149153.db2.gz QDWBMIZNKQUEEM-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046954112 768149156 /nfs/dbraw/zinc/14/91/56/768149156.db2.gz QDWBMIZNKQUEEM-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046954112 768149158 /nfs/dbraw/zinc/14/91/58/768149158.db2.gz QDWBMIZNKQUEEM-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094787 763642537 /nfs/dbraw/zinc/64/25/37/763642537.db2.gz XFXADGOHUMNZBO-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132394 763688196 /nfs/dbraw/zinc/68/81/96/763688196.db2.gz CARKTUJQGUVVDT-CRAIPNDOSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050535726 763725825 /nfs/dbraw/zinc/72/58/25/763725825.db2.gz AOINBSSOCZDMBU-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050563298 763757128 /nfs/dbraw/zinc/75/71/28/763757128.db2.gz BRNYSXQBCVAYKU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050664944 763890971 /nfs/dbraw/zinc/89/09/71/763890971.db2.gz TULIUNGZABBMEW-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858097 764138643 /nfs/dbraw/zinc/13/86/43/764138643.db2.gz SZPFSUIANJYVPY-QZWWFDLISA-N 2 1 305.466 1.708 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858097 764138649 /nfs/dbraw/zinc/13/86/49/764138649.db2.gz SZPFSUIANJYVPY-QZWWFDLISA-N 2 1 305.466 1.708 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001043888350 765151526 /nfs/dbraw/zinc/15/15/26/765151526.db2.gz UYBUQAUONWESLU-KRWDZBQOSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001043888350 765151532 /nfs/dbraw/zinc/15/15/32/765151532.db2.gz UYBUQAUONWESLU-KRWDZBQOSA-N 2 1 311.445 1.918 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001098463726 765238232 /nfs/dbraw/zinc/23/82/32/765238232.db2.gz DBDAYXFMTVIDRE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001098463726 765238240 /nfs/dbraw/zinc/23/82/40/765238240.db2.gz DBDAYXFMTVIDRE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098463726 765238245 /nfs/dbraw/zinc/23/82/45/765238245.db2.gz DBDAYXFMTVIDRE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098463726 765238254 /nfs/dbraw/zinc/23/82/54/765238254.db2.gz DBDAYXFMTVIDRE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044758128 765793498 /nfs/dbraw/zinc/79/34/98/765793498.db2.gz AYPIFXVFGZYWTI-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001052458690 765848277 /nfs/dbraw/zinc/84/82/77/765848277.db2.gz GJXLWOBRIOQJDO-FYUFSVPTSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C/C=C\Cl)CC1 ZINC001052458690 765848285 /nfs/dbraw/zinc/84/82/85/765848285.db2.gz GJXLWOBRIOQJDO-FYUFSVPTSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC001052458690 765848290 /nfs/dbraw/zinc/84/82/90/765848290.db2.gz GJXLWOBRIOQJDO-FYUFSVPTSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C/C=C\Cl)CC1 ZINC001052458690 765848298 /nfs/dbraw/zinc/84/82/98/765848298.db2.gz GJXLWOBRIOQJDO-FYUFSVPTSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591753 765978750 /nfs/dbraw/zinc/97/87/50/765978750.db2.gz SEQFSBPSFXPHBG-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062744 766875985 /nfs/dbraw/zinc/87/59/85/766875985.db2.gz JEWVYUPHHMOEDL-IRXDYDNUSA-N 2 1 322.497 1.121 20 30 DDEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561620 767689689 /nfs/dbraw/zinc/68/96/89/767689689.db2.gz INXFMGDNVVEXAE-AEFFLSMTSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561620 767689693 /nfs/dbraw/zinc/68/96/93/767689693.db2.gz INXFMGDNVVEXAE-AEFFLSMTSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561620 767689697 /nfs/dbraw/zinc/68/96/97/767689697.db2.gz INXFMGDNVVEXAE-AEFFLSMTSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132425917 768841687 /nfs/dbraw/zinc/84/16/87/768841687.db2.gz OWQBLKRYKSJNJX-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479116 768912914 /nfs/dbraw/zinc/91/29/14/768912914.db2.gz SOJFWLKVEYQILW-RDJZCZTQSA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479116 768912920 /nfs/dbraw/zinc/91/29/20/768912920.db2.gz SOJFWLKVEYQILW-RDJZCZTQSA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479116 768912925 /nfs/dbraw/zinc/91/29/25/768912925.db2.gz SOJFWLKVEYQILW-RDJZCZTQSA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241744 769182791 /nfs/dbraw/zinc/18/27/91/769182791.db2.gz ZUGXEEQFCZZWJD-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001048590302 769567457 /nfs/dbraw/zinc/56/74/57/769567457.db2.gz LNPIPVVJTKZGSX-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590302 769567463 /nfs/dbraw/zinc/56/74/63/769567463.db2.gz LNPIPVVJTKZGSX-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001048590302 769567468 /nfs/dbraw/zinc/56/74/68/769567468.db2.gz LNPIPVVJTKZGSX-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC001048845238 769976506 /nfs/dbraw/zinc/97/65/06/769976506.db2.gz AEAHUCXUVVHQLW-GASCZTMLSA-N 2 1 319.474 2.000 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071768784 770032820 /nfs/dbraw/zinc/03/28/20/770032820.db2.gz CRFPTYBBVHYSTQ-GOEBONIOSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071768784 770032829 /nfs/dbraw/zinc/03/28/29/770032829.db2.gz CRFPTYBBVHYSTQ-GOEBONIOSA-N 2 1 317.433 1.947 20 30 DDEDMP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133834029 770316481 /nfs/dbraw/zinc/31/64/81/770316481.db2.gz MBDPQHRKVLBUDP-ZDUSSCGKSA-N 2 1 318.396 1.387 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133834029 770316492 /nfs/dbraw/zinc/31/64/92/770316492.db2.gz MBDPQHRKVLBUDP-ZDUSSCGKSA-N 2 1 318.396 1.387 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001133869622 770391652 /nfs/dbraw/zinc/39/16/52/770391652.db2.gz HVMIJJDUEOXPAE-SWLSCSKDSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231876 770577009 /nfs/dbraw/zinc/57/70/09/770577009.db2.gz NLUPUVIHLJOFSW-WNKDZCFJSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231876 770577012 /nfs/dbraw/zinc/57/70/12/770577012.db2.gz NLUPUVIHLJOFSW-WNKDZCFJSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231876 770577017 /nfs/dbraw/zinc/57/70/17/770577017.db2.gz NLUPUVIHLJOFSW-WNKDZCFJSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235631 770583035 /nfs/dbraw/zinc/58/30/35/770583035.db2.gz QECZDLQLDWJWNK-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090518398 770895290 /nfs/dbraw/zinc/89/52/90/770895290.db2.gz CMNBJUULOVSUGH-LSDHHAIUSA-N 2 1 321.421 1.082 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768147 771145346 /nfs/dbraw/zinc/14/53/46/771145346.db2.gz UEONBOLPFGRUPQ-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170867769 771785821 /nfs/dbraw/zinc/78/58/21/771785821.db2.gz MLNKARWREHBRLD-QGZVFWFLSA-N 2 1 301.434 1.799 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)COC[C@H](C)[NH+]3CCCC3)C2)C1 ZINC001148304968 773426838 /nfs/dbraw/zinc/42/68/38/773426838.db2.gz QBVQNNXWOFNFMM-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292672 773434499 /nfs/dbraw/zinc/43/44/99/773434499.db2.gz PGJWJRRGUOZKJJ-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292672 773434502 /nfs/dbraw/zinc/43/45/02/773434502.db2.gz PGJWJRRGUOZKJJ-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292672 773434504 /nfs/dbraw/zinc/43/45/04/773434504.db2.gz PGJWJRRGUOZKJJ-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013774 773920926 /nfs/dbraw/zinc/92/09/26/773920926.db2.gz ZIZAPWVJAVLTBD-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013774 773920929 /nfs/dbraw/zinc/92/09/29/773920929.db2.gz ZIZAPWVJAVLTBD-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013774 773920934 /nfs/dbraw/zinc/92/09/34/773920934.db2.gz ZIZAPWVJAVLTBD-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611457 774192193 /nfs/dbraw/zinc/19/21/93/774192193.db2.gz WUTAYQRYPQPGJC-NXHRZFHOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911845 774299868 /nfs/dbraw/zinc/29/98/68/774299868.db2.gz ZYQHAJIJAUSSEQ-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911845 774299870 /nfs/dbraw/zinc/29/98/70/774299870.db2.gz ZYQHAJIJAUSSEQ-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911845 774299872 /nfs/dbraw/zinc/29/98/72/774299872.db2.gz ZYQHAJIJAUSSEQ-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036735581 774428928 /nfs/dbraw/zinc/42/89/28/774428928.db2.gz MSHDSWROXRBRSW-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001093224581 774536104 /nfs/dbraw/zinc/53/61/04/774536104.db2.gz BRARELLLWLRXSS-NVXWUHKLSA-N 2 1 313.445 1.679 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875489 774701930 /nfs/dbraw/zinc/70/19/30/774701930.db2.gz QLEBFSQOGOIUIY-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875489 774701931 /nfs/dbraw/zinc/70/19/31/774701931.db2.gz QLEBFSQOGOIUIY-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098875489 774701936 /nfs/dbraw/zinc/70/19/36/774701936.db2.gz QLEBFSQOGOIUIY-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854942 774943409 /nfs/dbraw/zinc/94/34/09/774943409.db2.gz STUCGIRITUYBQG-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099544315 775022882 /nfs/dbraw/zinc/02/28/82/775022882.db2.gz NSBHKSFUMQVKFI-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896297 776009307 /nfs/dbraw/zinc/00/93/07/776009307.db2.gz MLUSDZQOSCNWBB-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896297 776009316 /nfs/dbraw/zinc/00/93/16/776009316.db2.gz MLUSDZQOSCNWBB-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161421 776203468 /nfs/dbraw/zinc/20/34/68/776203468.db2.gz DWIHROJFSROMPP-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070824 776851875 /nfs/dbraw/zinc/85/18/75/776851875.db2.gz LTMFKPSNBFXHJO-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174912907 777632655 /nfs/dbraw/zinc/63/26/55/777632655.db2.gz HGTMRGGCFMQSNZ-SJORKVTESA-N 2 1 323.481 1.384 20 30 DDEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174912907 777632659 /nfs/dbraw/zinc/63/26/59/777632659.db2.gz HGTMRGGCFMQSNZ-SJORKVTESA-N 2 1 323.481 1.384 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102287162 778009570 /nfs/dbraw/zinc/00/95/70/778009570.db2.gz PTZOUCVFOJIJIP-TZMCWYRMSA-N 2 1 313.873 1.765 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001176070993 778012260 /nfs/dbraw/zinc/01/22/60/778012260.db2.gz ARYCESQOQDJRKD-CQSZACIVSA-N 2 1 318.396 1.245 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375593 778105344 /nfs/dbraw/zinc/10/53/44/778105344.db2.gz RYBMUXNFLJKEJG-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375593 778105348 /nfs/dbraw/zinc/10/53/48/778105348.db2.gz RYBMUXNFLJKEJG-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375593 778105354 /nfs/dbraw/zinc/10/53/54/778105354.db2.gz RYBMUXNFLJKEJG-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085485 778629525 /nfs/dbraw/zinc/62/95/25/778629525.db2.gz XVPVRMQKTDDENE-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646807 778979524 /nfs/dbraw/zinc/97/95/24/778979524.db2.gz GYDPPJLRIRMHGB-HZPDHXFCSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544800 780226513 /nfs/dbraw/zinc/22/65/13/780226513.db2.gz BSVFSGRFLVFORO-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001115574716 780243502 /nfs/dbraw/zinc/24/35/02/780243502.db2.gz MHQCKPGRBJKJMI-UHFFFAOYSA-N 2 1 305.466 1.903 20 30 DDEDMP C=CC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116901471 780573951 /nfs/dbraw/zinc/57/39/51/780573951.db2.gz IGKXARGRQISTJO-OAHLLOKOSA-N 2 1 307.413 1.604 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001119298908 781397755 /nfs/dbraw/zinc/39/77/55/781397755.db2.gz HLCZBEOQCPCNOX-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001119298908 781397762 /nfs/dbraw/zinc/39/77/62/781397762.db2.gz HLCZBEOQCPCNOX-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C=CCN1CCN(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001120360744 781896393 /nfs/dbraw/zinc/89/63/93/781896393.db2.gz ZDQPFHGBOUTVMR-JYJNAYRXSA-N 2 1 306.454 1.530 20 30 DDEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001267184751 837490575 /nfs/dbraw/zinc/49/05/75/837490575.db2.gz FEHXYQBKYKCZNV-BPQIPLTHSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266270252 836016951 /nfs/dbraw/zinc/01/69/51/836016951.db2.gz YQRHGXFFPATHIX-QGZVFWFLSA-N 2 1 322.497 1.171 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001266431367 836244965 /nfs/dbraw/zinc/24/49/65/836244965.db2.gz NJAZOMDWWSKOGU-PBHICJAKSA-N 2 1 309.429 1.317 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001266950561 837103359 /nfs/dbraw/zinc/10/33/59/837103359.db2.gz NPOCUKPPSAMOCN-YOEHRIQHSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001266950561 837103366 /nfs/dbraw/zinc/10/33/66/837103366.db2.gz NPOCUKPPSAMOCN-YOEHRIQHSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267372985 837936498 /nfs/dbraw/zinc/93/64/98/837936498.db2.gz IYYOGYZAJFTCGD-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267558002 838303504 /nfs/dbraw/zinc/30/35/04/838303504.db2.gz QHAUBVOIGLWHPR-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267558002 838303515 /nfs/dbraw/zinc/30/35/15/838303515.db2.gz QHAUBVOIGLWHPR-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267558002 838303526 /nfs/dbraw/zinc/30/35/26/838303526.db2.gz QHAUBVOIGLWHPR-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267709318 838691824 /nfs/dbraw/zinc/69/18/24/838691824.db2.gz VVUIEPMAIGQHJA-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267709318 838691826 /nfs/dbraw/zinc/69/18/26/838691826.db2.gz VVUIEPMAIGQHJA-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001267931761 839215112 /nfs/dbraw/zinc/21/51/12/839215112.db2.gz CSUDENKLWKJEFQ-BRWVUGGUSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCCOC ZINC001267957980 839266802 /nfs/dbraw/zinc/26/68/02/839266802.db2.gz QKNPOFNQIUVOQJ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCCOC ZINC001267957980 839266822 /nfs/dbraw/zinc/26/68/22/839266822.db2.gz QKNPOFNQIUVOQJ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001268038103 839518884 /nfs/dbraw/zinc/51/88/84/839518884.db2.gz OXQKPVWIXKOCTP-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269115963 841222564 /nfs/dbraw/zinc/22/25/64/841222564.db2.gz OMRSLYQGOLWSBT-NVXWUHKLSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001269460108 841660013 /nfs/dbraw/zinc/66/00/13/841660013.db2.gz DVRPXHOVSOFWGW-GJZGRUSLSA-N 2 1 302.422 1.262 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558511 841766041 /nfs/dbraw/zinc/76/60/41/841766041.db2.gz YYDOTVBTJVVOSZ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001269718828 841970925 /nfs/dbraw/zinc/97/09/25/841970925.db2.gz DSBIHNNDERRSFJ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001270297047 842463755 /nfs/dbraw/zinc/46/37/55/842463755.db2.gz ZXPDFKDAVUXEEM-WBVHZDCISA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001270779148 842896033 /nfs/dbraw/zinc/89/60/33/842896033.db2.gz LWQGCBWXRCYOKJ-HKUYNNGSSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001271726441 843811945 /nfs/dbraw/zinc/81/19/45/843811945.db2.gz DSXQCRNPFBLNGE-GOEBONIOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC(=C)C)CC1 ZINC001272178850 844680493 /nfs/dbraw/zinc/68/04/93/844680493.db2.gz RMEPKZKWDCOKKG-UHFFFAOYSA-N 2 1 305.466 1.688 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204300 848094822 /nfs/dbraw/zinc/09/48/22/848094822.db2.gz LONZWXDCSHDRTO-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204300 848094828 /nfs/dbraw/zinc/09/48/28/848094828.db2.gz LONZWXDCSHDRTO-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034283969 848254092 /nfs/dbraw/zinc/25/40/92/848254092.db2.gz HFBSTLRIMOSTGH-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001273143088 848548392 /nfs/dbraw/zinc/54/83/92/848548392.db2.gz BISUZCNZXOEZJH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001273143088 848548397 /nfs/dbraw/zinc/54/83/97/848548397.db2.gz BISUZCNZXOEZJH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001273143088 848548391 /nfs/dbraw/zinc/54/83/91/848548391.db2.gz BISUZCNZXOEZJH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001273143088 848548404 /nfs/dbraw/zinc/54/84/04/848548404.db2.gz BISUZCNZXOEZJH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1CC[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273145159 848571137 /nfs/dbraw/zinc/57/11/37/848571137.db2.gz VATOAAZONLSWNZ-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001273863095 851435908 /nfs/dbraw/zinc/43/59/08/851435908.db2.gz GDJUZXRDCIAIIH-QAPCUYQASA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001274655799 852491240 /nfs/dbraw/zinc/49/12/40/852491240.db2.gz SRKZTXAATFIHGN-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001274655799 852491242 /nfs/dbraw/zinc/49/12/42/852491242.db2.gz SRKZTXAATFIHGN-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001275115811 852817072 /nfs/dbraw/zinc/81/70/72/852817072.db2.gz RFZUASFGYLHABD-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001275115811 852817078 /nfs/dbraw/zinc/81/70/78/852817078.db2.gz RFZUASFGYLHABD-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001275115811 852817083 /nfs/dbraw/zinc/81/70/83/852817083.db2.gz RFZUASFGYLHABD-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C[NH+](C)CCN1CCC12C[NH+](Cc1c[nH]c3c1cccc3C#N)C2 ZINC001275368699 853023215 /nfs/dbraw/zinc/02/32/15/853023215.db2.gz XZXKKOYCRCMDTQ-UHFFFAOYSA-N 2 1 323.444 1.861 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)s1 ZINC001275588705 853405277 /nfs/dbraw/zinc/40/52/77/853405277.db2.gz HHGZLXYFSMFHGO-HOTGVXAUSA-N 2 1 304.463 1.830 20 30 DDEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001275928858 853964135 /nfs/dbraw/zinc/96/41/35/853964135.db2.gz UIGGPHRTBWXFLU-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001275928858 853964140 /nfs/dbraw/zinc/96/41/40/853964140.db2.gz UIGGPHRTBWXFLU-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743344 857665261 /nfs/dbraw/zinc/66/52/61/857665261.db2.gz JNIIUPCSTVUJFE-OAHLLOKOSA-N 2 1 323.868 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743344 857665265 /nfs/dbraw/zinc/66/52/65/857665265.db2.gz JNIIUPCSTVUJFE-OAHLLOKOSA-N 2 1 323.868 1.615 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813274 857740598 /nfs/dbraw/zinc/74/05/98/857740598.db2.gz KUMUMNOGZFMYSI-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072827563 857764294 /nfs/dbraw/zinc/76/42/94/857764294.db2.gz OQHLBVPEEZAWOP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072827563 857764297 /nfs/dbraw/zinc/76/42/97/857764297.db2.gz OQHLBVPEEZAWOP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072827563 857764301 /nfs/dbraw/zinc/76/43/01/857764301.db2.gz OQHLBVPEEZAWOP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059361 858055968 /nfs/dbraw/zinc/05/59/68/858055968.db2.gz CJHVGHHAHUPXIF-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001073059361 858055978 /nfs/dbraw/zinc/05/59/78/858055978.db2.gz CJHVGHHAHUPXIF-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125533 858121225 /nfs/dbraw/zinc/12/12/25/858121225.db2.gz ABLXQMUGOZZTPU-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546578 881442613 /nfs/dbraw/zinc/44/26/13/881442613.db2.gz NVIILRGZIXUBNO-RDJZCZTQSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CC ZINC001328693645 863151841 /nfs/dbraw/zinc/15/18/41/863151841.db2.gz KTMIPSVSCMSINN-SJLPKXTDSA-N 2 1 301.434 1.886 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001328808118 863241509 /nfs/dbraw/zinc/24/15/09/863241509.db2.gz NMEGJKNZGXNMGJ-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001329550248 863724317 /nfs/dbraw/zinc/72/43/17/863724317.db2.gz RLYRHLWLLYEWDJ-JQHSSLGASA-N 2 1 315.461 1.954 20 30 DDEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001330673642 864526080 /nfs/dbraw/zinc/52/60/80/864526080.db2.gz GOTDURBJQOXKCI-WKILWMFISA-N 2 1 302.422 1.479 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001158571633 864737647 /nfs/dbraw/zinc/73/76/47/864737647.db2.gz TZBSFIVVQFFZPU-DOTOQJQBSA-N 2 1 316.449 1.925 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001158571633 864737656 /nfs/dbraw/zinc/73/76/56/864737656.db2.gz TZBSFIVVQFFZPU-DOTOQJQBSA-N 2 1 316.449 1.925 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001158571633 864737668 /nfs/dbraw/zinc/73/76/68/864737668.db2.gz TZBSFIVVQFFZPU-DOTOQJQBSA-N 2 1 316.449 1.925 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001160479205 865873193 /nfs/dbraw/zinc/87/31/93/865873193.db2.gz UCOCTIOQJXGVJL-QGZVFWFLSA-N 2 1 323.481 1.668 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001332649249 866021399 /nfs/dbraw/zinc/02/13/99/866021399.db2.gz VCTPALCGLDABQV-HOTGVXAUSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332649249 866021415 /nfs/dbraw/zinc/02/14/15/866021415.db2.gz VCTPALCGLDABQV-HOTGVXAUSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001332649249 866021430 /nfs/dbraw/zinc/02/14/30/866021430.db2.gz VCTPALCGLDABQV-HOTGVXAUSA-N 2 1 311.470 1.188 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001323015531 866271072 /nfs/dbraw/zinc/27/10/72/866271072.db2.gz PQNSEBWQWQVFOJ-SJORKVTESA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001323015531 866271078 /nfs/dbraw/zinc/27/10/78/866271078.db2.gz PQNSEBWQWQVFOJ-SJORKVTESA-N 2 1 303.450 1.369 20 30 DDEDMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001319817917 866313204 /nfs/dbraw/zinc/31/32/04/866313204.db2.gz OSEMLXFDVCECCL-HOTGVXAUSA-N 2 1 302.422 1.432 20 30 DDEDMP C=C1C[NH2+][C@](C)(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)C1 ZINC001161161325 866418063 /nfs/dbraw/zinc/41/80/63/866418063.db2.gz RUZAOAMZMVAPHP-SFHVURJKSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001161598709 866798875 /nfs/dbraw/zinc/79/88/75/866798875.db2.gz QJYCBBYSHIXZOZ-UHFFFAOYSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001324252235 867166143 /nfs/dbraw/zinc/16/61/43/867166143.db2.gz YOEYNILQNGUGJQ-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)CC[N@H+](C)CC)C2)CC1 ZINC001324353407 867223087 /nfs/dbraw/zinc/22/30/87/867223087.db2.gz RKCPBLNIGLNHTG-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC001162987433 867976110 /nfs/dbraw/zinc/97/61/10/867976110.db2.gz RMKKEKZOPOWVPU-UHFFFAOYSA-N 2 1 315.461 1.622 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CC2(CO)CCCC2)CC1 ZINC001336785902 869140875 /nfs/dbraw/zinc/14/08/75/869140875.db2.gz VBYOHOHFQUWRCX-QGZVFWFLSA-N 2 1 308.466 1.367 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164513610 869249209 /nfs/dbraw/zinc/24/92/09/869249209.db2.gz GOJPMYAZUHYINX-MRXNPFEDSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270773 869482149 /nfs/dbraw/zinc/48/21/49/869482149.db2.gz HCKBWLOBSPGXPJ-OAHLLOKOSA-N 2 1 320.437 1.052 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203640471 870691764 /nfs/dbraw/zinc/69/17/64/870691764.db2.gz CGPOSIUUTVTKOE-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001317509208 870953433 /nfs/dbraw/zinc/95/34/33/870953433.db2.gz OTPILNFMYDCNDV-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP N#Cc1ccc2nc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)cn2c1 ZINC001205591310 871646891 /nfs/dbraw/zinc/64/68/91/871646891.db2.gz KFEWMPKDVAMCRV-INIZCTEOSA-N 2 1 301.369 1.859 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947563 872829124 /nfs/dbraw/zinc/82/91/24/872829124.db2.gz AVRGNCQQBCEBIR-IYBDPMFKSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001208675445 874371626 /nfs/dbraw/zinc/37/16/26/874371626.db2.gz BMMHBRQOCPCMAA-SJLPKXTDSA-N 2 1 315.461 1.783 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208675445 874371636 /nfs/dbraw/zinc/37/16/36/874371636.db2.gz BMMHBRQOCPCMAA-SJLPKXTDSA-N 2 1 315.461 1.783 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208675445 874371666 /nfs/dbraw/zinc/37/16/66/874371666.db2.gz BMMHBRQOCPCMAA-SJLPKXTDSA-N 2 1 315.461 1.783 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208675445 874371683 /nfs/dbraw/zinc/37/16/83/874371683.db2.gz BMMHBRQOCPCMAA-SJLPKXTDSA-N 2 1 315.461 1.783 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277966 874774530 /nfs/dbraw/zinc/77/45/30/874774530.db2.gz MIUHIXPFBXDJHF-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC(C)n1ncc(C#N)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263112 875296118 /nfs/dbraw/zinc/29/61/18/875296118.db2.gz RORSJEJTTINQAY-UHFFFAOYSA-N 2 1 311.393 1.884 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC=C)C[C@H]2C)CC1 ZINC001211306769 875748919 /nfs/dbraw/zinc/74/89/19/875748919.db2.gz IFFUEVBKRUFPIT-SJLPKXTDSA-N 2 1 317.477 1.734 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342100 875902183 /nfs/dbraw/zinc/90/21/83/875902183.db2.gz HAXUSGBCVMARRB-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410091 876702665 /nfs/dbraw/zinc/70/26/65/876702665.db2.gz MUIXUVHCLGYKFN-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215930259 876824365 /nfs/dbraw/zinc/82/43/65/876824365.db2.gz VEDKKYPCIUBALT-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218211356 877419533 /nfs/dbraw/zinc/41/95/33/877419533.db2.gz WWYDLTPJYAOAOZ-GOSISDBHSA-N 3 1 301.434 1.907 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011653 878648602 /nfs/dbraw/zinc/64/86/02/878648602.db2.gz ZHPBJWITOUEAJN-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011653 878648611 /nfs/dbraw/zinc/64/86/11/878648611.db2.gz ZHPBJWITOUEAJN-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876829 880127898 /nfs/dbraw/zinc/12/78/98/880127898.db2.gz WTKCIUDUVNVWEO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001221876829 880127913 /nfs/dbraw/zinc/12/79/13/880127913.db2.gz WTKCIUDUVNVWEO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876829 880127927 /nfs/dbraw/zinc/12/79/27/880127927.db2.gz WTKCIUDUVNVWEO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)[C@@H]2C1 ZINC001221876829 880127943 /nfs/dbraw/zinc/12/79/43/880127943.db2.gz WTKCIUDUVNVWEO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877661 880130137 /nfs/dbraw/zinc/13/01/37/880130137.db2.gz CFAGERCGLDRGMP-KZNAEPCWSA-N 2 1 319.493 1.909 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027527 880189784 /nfs/dbraw/zinc/18/97/84/880189784.db2.gz ZPOIIKXAZIPSFM-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222083774 880230474 /nfs/dbraw/zinc/23/04/74/880230474.db2.gz MGLNIBDGSARZAO-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP N#Cc1cc[nH]c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276837459 880693794 /nfs/dbraw/zinc/69/37/94/880693794.db2.gz CKDCVNKLPFAELB-CALCHBBNSA-N 2 1 324.432 1.953 20 30 DDEDMP N#Cc1cc[nH]c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276837459 880693795 /nfs/dbraw/zinc/69/37/95/880693795.db2.gz CKDCVNKLPFAELB-CALCHBBNSA-N 2 1 324.432 1.953 20 30 DDEDMP N#Cc1cc[nH]c1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001276837459 880693798 /nfs/dbraw/zinc/69/37/98/880693798.db2.gz CKDCVNKLPFAELB-CALCHBBNSA-N 2 1 324.432 1.953 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001223604408 881020013 /nfs/dbraw/zinc/02/00/13/881020013.db2.gz HLBKZMDVVRWBRG-CQSZACIVSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224128927 881230779 /nfs/dbraw/zinc/23/07/79/881230779.db2.gz AFAWYRQOTWWYDE-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001229692426 884112370 /nfs/dbraw/zinc/11/23/70/884112370.db2.gz GPDKPHKXPVQIEQ-BRWVUGGUSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354270 888584973 /nfs/dbraw/zinc/58/49/73/888584973.db2.gz LBCVRUAKYGQTSP-JKSUJKDBSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354270 888584982 /nfs/dbraw/zinc/58/49/82/888584982.db2.gz LBCVRUAKYGQTSP-JKSUJKDBSA-N 2 1 309.454 1.062 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235795429 888951732 /nfs/dbraw/zinc/95/17/32/888951732.db2.gz IAOJPTAJQFHUMX-HNNXBMFYSA-N 2 1 302.422 1.483 20 30 DDEDMP C#Cc1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)c1 ZINC001236040704 889077548 /nfs/dbraw/zinc/07/75/48/889077548.db2.gz MUWQQBJHBPADOG-IEBWSBKVSA-N 2 1 312.413 1.643 20 30 DDEDMP C#Cc1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)c1 ZINC001236040704 889077563 /nfs/dbraw/zinc/07/75/63/889077563.db2.gz MUWQQBJHBPADOG-IEBWSBKVSA-N 2 1 312.413 1.643 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246303105 892526285 /nfs/dbraw/zinc/52/62/85/892526285.db2.gz GWUHVJMFSORKDE-RYRKJORJSA-N 3 1 323.481 1.725 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278664147 895119895 /nfs/dbraw/zinc/11/98/95/895119895.db2.gz VANNFMFJPHCYOH-FUHWJXTLSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252468358 895180345 /nfs/dbraw/zinc/18/03/45/895180345.db2.gz MZRGOKVPTUMFJQ-OTWHNJEPSA-N 2 1 316.445 1.614 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252468358 895180350 /nfs/dbraw/zinc/18/03/50/895180350.db2.gz MZRGOKVPTUMFJQ-OTWHNJEPSA-N 2 1 316.445 1.614 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252468358 895180353 /nfs/dbraw/zinc/18/03/53/895180353.db2.gz MZRGOKVPTUMFJQ-OTWHNJEPSA-N 2 1 316.445 1.614 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001252483367 895203697 /nfs/dbraw/zinc/20/36/97/895203697.db2.gz UBKNGVAHDMUXSH-SFHVURJKSA-N 2 1 320.433 1.172 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001278690106 895594269 /nfs/dbraw/zinc/59/42/69/895594269.db2.gz NXMSXOREWBIUFZ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254676207 896570355 /nfs/dbraw/zinc/57/03/55/896570355.db2.gz JALQVOUQAROWED-MSOLQXFVSA-N 2 1 302.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001264029407 900882188 /nfs/dbraw/zinc/88/21/88/900882188.db2.gz CRLIKNJXGNTPHV-PMPSAXMXSA-N 2 1 317.477 1.567 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001264743133 901323708 /nfs/dbraw/zinc/32/37/08/901323708.db2.gz UCQQPVXDOXCLOC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001264743133 901323720 /nfs/dbraw/zinc/32/37/20/901323720.db2.gz UCQQPVXDOXCLOC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001264743133 901323729 /nfs/dbraw/zinc/32/37/29/901323729.db2.gz UCQQPVXDOXCLOC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001265824075 902449996 /nfs/dbraw/zinc/44/99/96/902449996.db2.gz PLVBUIJSNCCHHI-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391878615 902788985 /nfs/dbraw/zinc/78/89/85/902788985.db2.gz JDHUNORAQDYVDZ-PBHICJAKSA-N 2 1 314.433 1.494 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001266142834 903010975 /nfs/dbraw/zinc/01/09/75/903010975.db2.gz IHFXZNIDTOZLOG-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001266142834 903010990 /nfs/dbraw/zinc/01/09/90/903010990.db2.gz IHFXZNIDTOZLOG-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001266142834 903011005 /nfs/dbraw/zinc/01/10/05/903011005.db2.gz IHFXZNIDTOZLOG-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC#CCOC)CC1 ZINC001279163778 903188334 /nfs/dbraw/zinc/18/83/34/903188334.db2.gz DSNDEHAMBMAGMH-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001279518025 903297449 /nfs/dbraw/zinc/29/74/49/903297449.db2.gz DFCIXEIYSIREJK-AEFFLSMTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001279518025 903297456 /nfs/dbraw/zinc/29/74/56/903297456.db2.gz DFCIXEIYSIREJK-AEFFLSMTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001279518025 903297463 /nfs/dbraw/zinc/29/74/63/903297463.db2.gz DFCIXEIYSIREJK-AEFFLSMTSA-N 2 1 323.481 1.238 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC001392525007 904357213 /nfs/dbraw/zinc/35/72/13/904357213.db2.gz WANXBMBOTZFOHK-CYBMUJFWSA-N 2 1 320.412 1.633 20 30 DDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001281585873 905065484 /nfs/dbraw/zinc/06/54/84/905065484.db2.gz DMJHQBWWGNUCKD-UHFFFAOYSA-N 2 1 322.497 1.123 20 30 DDEDMP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001283003912 906447701 /nfs/dbraw/zinc/44/77/01/906447701.db2.gz RIZYCQSJESCXOV-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001284072318 908428867 /nfs/dbraw/zinc/42/88/67/908428867.db2.gz RAVLBGMWSJVSBI-IEBWSBKVSA-N 2 1 317.477 1.999 20 30 DDEDMP CC#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001284533489 909151451 /nfs/dbraw/zinc/15/14/51/909151451.db2.gz MJIVFXWNJLOFFU-DLBZAZTESA-N 2 1 307.482 1.909 20 30 DDEDMP CC#CC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001284533489 909151461 /nfs/dbraw/zinc/15/14/61/909151461.db2.gz MJIVFXWNJLOFFU-DLBZAZTESA-N 2 1 307.482 1.909 20 30 DDEDMP CC#CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001284533489 909151471 /nfs/dbraw/zinc/15/14/71/909151471.db2.gz MJIVFXWNJLOFFU-DLBZAZTESA-N 2 1 307.482 1.909 20 30 DDEDMP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001375094864 914935137 /nfs/dbraw/zinc/93/51/37/914935137.db2.gz ANCOTNCMJUGITP-AWEZNQCLSA-N 2 1 302.422 1.446 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001375094864 914935148 /nfs/dbraw/zinc/93/51/48/914935148.db2.gz ANCOTNCMJUGITP-AWEZNQCLSA-N 2 1 302.422 1.446 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001376734693 919210898 /nfs/dbraw/zinc/21/08/98/919210898.db2.gz VMUVHXNWKCXJFR-CKEIUWERSA-N 2 1 314.433 1.493 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001377867490 923280832 /nfs/dbraw/zinc/28/08/32/923280832.db2.gz GNLMYKIQFIUPHO-CHWSQXEVSA-N 2 1 322.478 1.944 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000592495965 355600105 /nfs/dbraw/zinc/60/01/05/355600105.db2.gz ZTXNAUSJKYIEPB-IAGOWNOFSA-N 2 1 300.406 1.672 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCCC#N ZINC000594259704 356156353 /nfs/dbraw/zinc/15/63/53/356156353.db2.gz DDFLYRXEKQKKJM-MRXNPFEDSA-N 2 1 308.470 1.945 20 30 DDEDMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594440221 356215574 /nfs/dbraw/zinc/21/55/74/356215574.db2.gz ADTVCDIRPQIHMX-OWCLPIDISA-N 2 1 324.469 1.403 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)Cc1ccccc1 ZINC000594441091 356216475 /nfs/dbraw/zinc/21/64/75/356216475.db2.gz MMOCIKROAOSKCL-INIZCTEOSA-N 2 1 302.422 1.646 20 30 DDEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441245 356216851 /nfs/dbraw/zinc/21/68/51/356216851.db2.gz PNIGIWMULKXNLM-QLFBSQMISA-N 2 1 324.469 1.402 20 30 DDEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441245 356216854 /nfs/dbraw/zinc/21/68/54/356216854.db2.gz PNIGIWMULKXNLM-QLFBSQMISA-N 2 1 324.469 1.402 20 30 DDEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599300858 357882420 /nfs/dbraw/zinc/88/24/20/357882420.db2.gz YANPVHPSMOWRIB-IAGOWNOFSA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599300858 357882427 /nfs/dbraw/zinc/88/24/27/357882427.db2.gz YANPVHPSMOWRIB-IAGOWNOFSA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599300858 357882432 /nfs/dbraw/zinc/88/24/32/357882432.db2.gz YANPVHPSMOWRIB-IAGOWNOFSA-N 2 1 323.481 1.864 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600719684 358294065 /nfs/dbraw/zinc/29/40/65/358294065.db2.gz FAMRUIYUPADTNZ-KRWDZBQOSA-N 2 1 321.465 1.688 20 30 DDEDMP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000275217160 212202813 /nfs/dbraw/zinc/20/28/13/212202813.db2.gz IYGWOTAIQZFQRE-UHFFFAOYSA-N 2 1 317.408 1.425 20 30 DDEDMP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000275217160 212202817 /nfs/dbraw/zinc/20/28/17/212202817.db2.gz IYGWOTAIQZFQRE-UHFFFAOYSA-N 2 1 317.408 1.425 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187056483 285204751 /nfs/dbraw/zinc/20/47/51/285204751.db2.gz GGXGKQZIDSUIID-RHSMWYFYSA-N 2 1 318.465 1.836 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000104168686 407348434 /nfs/dbraw/zinc/34/84/34/407348434.db2.gz STFVWXTUEHUWPW-CQSZACIVSA-N 2 1 304.438 1.374 20 30 DDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000114074352 407538372 /nfs/dbraw/zinc/53/83/72/407538372.db2.gz OSNQVFHOSDBUSV-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000152625451 407664184 /nfs/dbraw/zinc/66/41/84/407664184.db2.gz ZRKRLSOMLZNZQE-KBPBESRZSA-N 2 1 301.438 1.680 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396710 407751424 /nfs/dbraw/zinc/75/14/24/407751424.db2.gz WNQPEUZUOKGRDO-CHWSQXEVSA-N 2 1 312.458 1.343 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264101789 408366863 /nfs/dbraw/zinc/36/68/63/408366863.db2.gz OGYUQRFXPVCFNB-ZIAGYGMSSA-N 2 1 304.438 1.372 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264101789 408366868 /nfs/dbraw/zinc/36/68/68/408366868.db2.gz OGYUQRFXPVCFNB-ZIAGYGMSSA-N 2 1 304.438 1.372 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000185358660 408798496 /nfs/dbraw/zinc/79/84/96/408798496.db2.gz POJMADCZVZYBJX-UHFFFAOYSA-N 2 1 308.470 1.763 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366181393 418439442 /nfs/dbraw/zinc/43/94/42/418439442.db2.gz VRGLLUAXDLGKAZ-SFHVURJKSA-N 2 1 320.481 1.764 20 30 DDEDMP C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261656843 222252847 /nfs/dbraw/zinc/25/28/47/222252847.db2.gz AFUCHWLIMMZTKQ-QMTHXVAHSA-N 2 1 307.467 1.599 20 30 DDEDMP C[NH+]=C(NC[C@H](C1CC1)N(C)C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262451070 222281187 /nfs/dbraw/zinc/28/11/87/222281187.db2.gz JWKOHCZVYSJWEQ-DLBZAZTESA-N 2 1 321.513 1.462 20 30 DDEDMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]C[C@@H](C)N2)[C@@H]1c1ccccc1 ZINC000262687778 222289925 /nfs/dbraw/zinc/28/99/25/222289925.db2.gz ZCDQUMGYTKFCRY-KBMXLJTQSA-N 2 1 302.422 1.386 20 30 DDEDMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]C[C@@H](C)N2)[C@@H]1c1ccccc1 ZINC000262687778 222289929 /nfs/dbraw/zinc/28/99/29/222289929.db2.gz ZCDQUMGYTKFCRY-KBMXLJTQSA-N 2 1 302.422 1.386 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000267436244 222385852 /nfs/dbraw/zinc/38/58/52/222385852.db2.gz NXTDYFJJEIPRDT-DLBZAZTESA-N 2 1 316.449 1.244 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364992806 418830429 /nfs/dbraw/zinc/83/04/29/418830429.db2.gz FIAOPRKISXIUHH-OAHLLOKOSA-N 2 1 314.433 1.368 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000424133555 228232422 /nfs/dbraw/zinc/23/24/22/228232422.db2.gz JRXSKAWVDQQMRW-QGZVFWFLSA-N 2 1 314.433 1.394 20 30 DDEDMP CC1(C#N)CCC([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000449132811 420957130 /nfs/dbraw/zinc/95/71/30/420957130.db2.gz BPNCXJZCCWXSRT-UQPPLGOBSA-N 2 1 306.454 1.636 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000491095036 421194096 /nfs/dbraw/zinc/19/40/96/421194096.db2.gz JDDTZBCBSMBXHB-XYJFISCASA-N 2 1 317.477 1.520 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc2cc(C#N)ccc2n1 ZINC000596425868 422376831 /nfs/dbraw/zinc/37/68/31/422376831.db2.gz XSDOZSHJZAWEQI-UHFFFAOYSA-N 2 1 311.433 2.402 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc2cc(C#N)ccc2n1 ZINC000596425868 422376835 /nfs/dbraw/zinc/37/68/35/422376835.db2.gz XSDOZSHJZAWEQI-UHFFFAOYSA-N 2 1 311.433 2.402 20 30 DDEDMP C[C@@H]1CN(CC#CCN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H](C)[NH+]1C ZINC000339615637 288135316 /nfs/dbraw/zinc/13/53/16/288135316.db2.gz LYNAFNPPTPLKOY-TVFCKZIOSA-N 2 1 306.498 1.039 20 30 DDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000447532747 500764335 /nfs/dbraw/zinc/76/43/35/500764335.db2.gz XGUJAJXMSYKAMP-ZBFHGGJFSA-N 2 1 306.454 1.601 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180410 695170227 /nfs/dbraw/zinc/17/02/27/695170227.db2.gz YCDCVCUPJXWBEX-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180410 695170228 /nfs/dbraw/zinc/17/02/28/695170228.db2.gz YCDCVCUPJXWBEX-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746197333 700010617 /nfs/dbraw/zinc/01/06/17/700010617.db2.gz NZZMCYFHJNXNHV-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000746197333 700010619 /nfs/dbraw/zinc/01/06/19/700010619.db2.gz NZZMCYFHJNXNHV-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000746197333 700010623 /nfs/dbraw/zinc/01/06/23/700010623.db2.gz NZZMCYFHJNXNHV-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000746197333 700010625 /nfs/dbraw/zinc/01/06/25/700010625.db2.gz NZZMCYFHJNXNHV-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974580294 695689769 /nfs/dbraw/zinc/68/97/69/695689769.db2.gz SBZLFSXCZVZZTJ-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974580294 695689770 /nfs/dbraw/zinc/68/97/70/695689770.db2.gz SBZLFSXCZVZZTJ-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974580294 695689771 /nfs/dbraw/zinc/68/97/71/695689771.db2.gz SBZLFSXCZVZZTJ-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974580294 695689772 /nfs/dbraw/zinc/68/97/72/695689772.db2.gz SBZLFSXCZVZZTJ-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598759 695693722 /nfs/dbraw/zinc/69/37/22/695693722.db2.gz ISQCOVPXIYALDP-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598759 695693724 /nfs/dbraw/zinc/69/37/24/695693724.db2.gz ISQCOVPXIYALDP-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598759 695693725 /nfs/dbraw/zinc/69/37/25/695693725.db2.gz ISQCOVPXIYALDP-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975262 695771454 /nfs/dbraw/zinc/77/14/54/695771454.db2.gz SWNKYDOABJQERJ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975262 695771455 /nfs/dbraw/zinc/77/14/55/695771455.db2.gz SWNKYDOABJQERJ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975262 695771456 /nfs/dbraw/zinc/77/14/56/695771456.db2.gz SWNKYDOABJQERJ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975262 695771457 /nfs/dbraw/zinc/77/14/57/695771457.db2.gz SWNKYDOABJQERJ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000747424449 700069455 /nfs/dbraw/zinc/06/94/55/700069455.db2.gz KIRLOPAQCJSZQA-KRWDZBQOSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000747424449 700069457 /nfs/dbraw/zinc/06/94/57/700069457.db2.gz KIRLOPAQCJSZQA-KRWDZBQOSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC3CC3)CC2(C)C)CC1 ZINC000977655415 696246253 /nfs/dbraw/zinc/24/62/53/696246253.db2.gz OJVWBQQUOCXLGR-KRWDZBQOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978316544 696363413 /nfs/dbraw/zinc/36/34/13/696363413.db2.gz ATCICGVPVHBMNI-OSYLJGHBSA-N 2 1 317.477 1.733 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978355593 696369900 /nfs/dbraw/zinc/36/99/00/696369900.db2.gz ZDFARDURYHWFLM-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978355593 696369901 /nfs/dbraw/zinc/36/99/01/696369901.db2.gz ZDFARDURYHWFLM-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978355593 696369903 /nfs/dbraw/zinc/36/99/03/696369903.db2.gz ZDFARDURYHWFLM-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP Cc1cccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000104174535 696619271 /nfs/dbraw/zinc/61/92/71/696619271.db2.gz WALPUNJWIKPMRA-OAHLLOKOSA-N 2 1 303.454 1.605 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812633 696926346 /nfs/dbraw/zinc/92/63/46/696926346.db2.gz RIVHGZIKPGMHLC-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982161225 697045466 /nfs/dbraw/zinc/04/54/66/697045466.db2.gz KJCFFTUYVBXPSL-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982161225 697045468 /nfs/dbraw/zinc/04/54/68/697045468.db2.gz KJCFFTUYVBXPSL-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982161225 697045470 /nfs/dbraw/zinc/04/54/70/697045470.db2.gz KJCFFTUYVBXPSL-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982165904 697047112 /nfs/dbraw/zinc/04/71/12/697047112.db2.gz URWWCKIHBWEKHK-UHFFFAOYSA-N 2 1 319.453 1.169 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981327494 697066907 /nfs/dbraw/zinc/06/69/07/697066907.db2.gz RGRPQIHQWBLKMX-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981327494 697066909 /nfs/dbraw/zinc/06/69/09/697066909.db2.gz RGRPQIHQWBLKMX-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000981327494 697066911 /nfs/dbraw/zinc/06/69/11/697066911.db2.gz RGRPQIHQWBLKMX-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000981327494 697066913 /nfs/dbraw/zinc/06/69/13/697066913.db2.gz RGRPQIHQWBLKMX-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CC(C)C)CC2)CC1 ZINC000985802519 697576603 /nfs/dbraw/zinc/57/66/03/697576603.db2.gz SORYBJQXVJRYTA-UHFFFAOYSA-N 2 1 319.493 1.910 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262305962 698463758 /nfs/dbraw/zinc/46/37/58/698463758.db2.gz AMKLDPQTSNJFCM-HOTGVXAUSA-N 3 1 307.486 1.074 20 30 DDEDMP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303874730 698608462 /nfs/dbraw/zinc/60/84/62/698608462.db2.gz HGSKHZTUNFCKMR-CQSZACIVSA-N 2 1 318.490 1.797 20 30 DDEDMP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000303874730 698608465 /nfs/dbraw/zinc/60/84/65/698608465.db2.gz HGSKHZTUNFCKMR-CQSZACIVSA-N 2 1 318.490 1.797 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483919 698639163 /nfs/dbraw/zinc/63/91/63/698639163.db2.gz YPYBHLFSABBUPS-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737958291 699748759 /nfs/dbraw/zinc/74/87/59/699748759.db2.gz XOUKDNHVWPFTKQ-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000737958291 699748761 /nfs/dbraw/zinc/74/87/61/699748761.db2.gz XOUKDNHVWPFTKQ-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817922515 702523207 /nfs/dbraw/zinc/52/32/07/702523207.db2.gz XNKQCXASSDYWPF-RRFJBIMHSA-N 2 1 300.468 1.488 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000846511108 703287740 /nfs/dbraw/zinc/28/77/40/703287740.db2.gz PFWADUKSNFTUQH-QGZVFWFLSA-N 2 1 301.434 1.490 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000846511108 703287742 /nfs/dbraw/zinc/28/77/42/703287742.db2.gz PFWADUKSNFTUQH-QGZVFWFLSA-N 2 1 301.434 1.490 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000852889265 704162512 /nfs/dbraw/zinc/16/25/12/704162512.db2.gz RJEVXVHNPHZFFK-FUHWJXTLSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870958101 704181704 /nfs/dbraw/zinc/18/17/04/704181704.db2.gz KQXGGKNGBWRMNU-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000870958101 704181706 /nfs/dbraw/zinc/18/17/06/704181706.db2.gz KQXGGKNGBWRMNU-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)CCc1ccccc1 ZINC000823187324 705165759 /nfs/dbraw/zinc/16/57/59/705165759.db2.gz CBIIKFDCZNTBOU-UHFFFAOYSA-N 2 1 301.434 1.232 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000823187324 705165762 /nfs/dbraw/zinc/16/57/62/705165762.db2.gz CBIIKFDCZNTBOU-UHFFFAOYSA-N 2 1 301.434 1.232 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000823187324 705165766 /nfs/dbraw/zinc/16/57/66/705165766.db2.gz CBIIKFDCZNTBOU-UHFFFAOYSA-N 2 1 301.434 1.232 20 30 DDEDMP CCC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccc(N)cc1 ZINC000863093102 705861234 /nfs/dbraw/zinc/86/12/34/705861234.db2.gz XJEMCUWFHBTBTL-UHFFFAOYSA-N 2 1 307.467 1.799 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000876764569 705864900 /nfs/dbraw/zinc/86/49/00/705864900.db2.gz PCPPENXJVOGWEN-MJBXVCDLSA-N 2 1 315.845 1.216 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000876764568 705865052 /nfs/dbraw/zinc/86/50/52/705865052.db2.gz PCPPENXJVOGWEN-MELADBBJSA-N 2 1 315.845 1.216 20 30 DDEDMP C[C@@H](O)C[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)C[C@@H](C)O)c1 ZINC000878129284 706302342 /nfs/dbraw/zinc/30/23/42/706302342.db2.gz MRRHGUOIGLPSMN-ZIAGYGMSSA-N 2 1 305.422 1.183 20 30 DDEDMP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000880475915 706985557 /nfs/dbraw/zinc/98/55/57/706985557.db2.gz JNTPPYAQOJERNQ-INIZCTEOSA-N 2 1 321.465 1.618 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000834495169 707070798 /nfs/dbraw/zinc/07/07/98/707070798.db2.gz SRMBVFBMINKWSF-BBWFWOEESA-N 2 1 312.417 1.126 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000884209195 708191112 /nfs/dbraw/zinc/19/11/12/708191112.db2.gz UJTYMXIDJMPHLC-KRWDZBQOSA-N 2 1 322.497 1.892 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000884209195 708191114 /nfs/dbraw/zinc/19/11/14/708191114.db2.gz UJTYMXIDJMPHLC-KRWDZBQOSA-N 2 1 322.497 1.892 20 30 DDEDMP C[C@H]1CNC(NN=C2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)=[NH+]1 ZINC000884448343 708301081 /nfs/dbraw/zinc/30/10/81/708301081.db2.gz YAWGHIFZNOJTBB-QRTARXTBSA-N 2 1 311.433 1.964 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000890365082 709838942 /nfs/dbraw/zinc/83/89/42/709838942.db2.gz OONCQYFQJPZOIH-IXDOHACOSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000890365082 709838945 /nfs/dbraw/zinc/83/89/45/709838945.db2.gz OONCQYFQJPZOIH-IXDOHACOSA-N 2 1 318.465 1.352 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894376127 711094706 /nfs/dbraw/zinc/09/47/06/711094706.db2.gz PLVZICFHTZRUAP-QGZVFWFLSA-N 2 1 322.497 1.703 20 30 DDEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC000903494364 711149440 /nfs/dbraw/zinc/14/94/40/711149440.db2.gz FCWZJNVCVFDZMB-JZXOWHBKSA-N 2 1 313.401 1.579 20 30 DDEDMP C[C@@H](CNC(NC(C)(C)C)=[NH+]CC1CC1)CN1CC[NH+](C)CC1 ZINC000912505329 711357107 /nfs/dbraw/zinc/35/71/07/711357107.db2.gz BFVIIBNRFRQEAI-HNNXBMFYSA-N 2 1 323.529 1.614 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000928653777 713252768 /nfs/dbraw/zinc/25/27/68/713252768.db2.gz ANBDYSMQKDHLHQ-UHFFFAOYSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C(C)C ZINC000914125798 713345797 /nfs/dbraw/zinc/34/57/97/713345797.db2.gz NRHOADMAHMWMGD-HZPDHXFCSA-N 2 1 308.470 1.688 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000922852524 714166920 /nfs/dbraw/zinc/16/69/20/714166920.db2.gz KRIBRVNDOJOLPD-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP N#Cc1sccc1N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923387157 714337815 /nfs/dbraw/zinc/33/78/15/714337815.db2.gz VHRNNGOLUBSBEW-CYBMUJFWSA-N 2 1 318.446 1.120 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000964030228 717970796 /nfs/dbraw/zinc/97/07/96/717970796.db2.gz HYXTVRGTUYXTKT-ZHIXCNEBSA-N 2 1 321.465 1.299 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000964030228 717970798 /nfs/dbraw/zinc/97/07/98/717970798.db2.gz HYXTVRGTUYXTKT-ZHIXCNEBSA-N 2 1 321.465 1.299 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966167747 717993057 /nfs/dbraw/zinc/99/30/57/717993057.db2.gz PQEGLHLNBMGREU-HOCLYGCPSA-N 2 1 319.453 1.071 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957516786 715937106 /nfs/dbraw/zinc/93/71/06/715937106.db2.gz CQCCBZNXXSTHLI-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000961171999 716847901 /nfs/dbraw/zinc/84/79/01/716847901.db2.gz VGVKPMSHMGRQMK-HZPDHXFCSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961171999 716847905 /nfs/dbraw/zinc/84/79/05/716847905.db2.gz VGVKPMSHMGRQMK-HZPDHXFCSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961171999 716847909 /nfs/dbraw/zinc/84/79/09/716847909.db2.gz VGVKPMSHMGRQMK-HZPDHXFCSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC000940811190 716970848 /nfs/dbraw/zinc/97/08/48/716970848.db2.gz BTHHJCSUXQJAPD-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC000940811190 716970849 /nfs/dbraw/zinc/97/08/49/716970849.db2.gz BTHHJCSUXQJAPD-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC1(C)C ZINC000940811190 716970850 /nfs/dbraw/zinc/97/08/50/716970850.db2.gz BTHHJCSUXQJAPD-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(C)C)CC1(C)C ZINC000940811190 716970851 /nfs/dbraw/zinc/97/08/51/716970851.db2.gz BTHHJCSUXQJAPD-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942258909 717583123 /nfs/dbraw/zinc/58/31/23/717583123.db2.gz QLLCFDNHTCZURT-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000963338019 717748920 /nfs/dbraw/zinc/74/89/20/717748920.db2.gz NKACDYNILBXBNZ-SJJHQCBESA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000945177736 718414762 /nfs/dbraw/zinc/41/47/62/718414762.db2.gz CDBDXDUQFZTUIG-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779250 718905966 /nfs/dbraw/zinc/90/59/66/718905966.db2.gz LRVXTZYJQFKEKJ-WNRNVDISSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779250 718905968 /nfs/dbraw/zinc/90/59/68/718905968.db2.gz LRVXTZYJQFKEKJ-WNRNVDISSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779250 718905971 /nfs/dbraw/zinc/90/59/71/718905971.db2.gz LRVXTZYJQFKEKJ-WNRNVDISSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946778998 718906040 /nfs/dbraw/zinc/90/60/40/718906040.db2.gz BKENGMMVOSJCCV-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946778998 718906043 /nfs/dbraw/zinc/90/60/43/718906043.db2.gz BKENGMMVOSJCCV-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946778998 718906044 /nfs/dbraw/zinc/90/60/44/718906044.db2.gz BKENGMMVOSJCCV-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725894 719254711 /nfs/dbraw/zinc/25/47/11/719254711.db2.gz FLOZPQZYRMHKSN-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725894 719254714 /nfs/dbraw/zinc/25/47/14/719254714.db2.gz FLOZPQZYRMHKSN-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725894 719254716 /nfs/dbraw/zinc/25/47/16/719254716.db2.gz FLOZPQZYRMHKSN-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(=C)C)CC[C@@H]2C)CC1 ZINC000968682179 719733712 /nfs/dbraw/zinc/73/37/12/719733712.db2.gz OYVVYEVPDPOWFJ-WMZOPIPTSA-N 2 1 317.477 1.734 20 30 DDEDMP C=CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948985825 719824389 /nfs/dbraw/zinc/82/43/89/719824389.db2.gz GDVDNPYRRFXRTA-WMZOPIPTSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948985825 719824393 /nfs/dbraw/zinc/82/43/93/719824393.db2.gz GDVDNPYRRFXRTA-WMZOPIPTSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948985825 719824396 /nfs/dbraw/zinc/82/43/96/719824396.db2.gz GDVDNPYRRFXRTA-WMZOPIPTSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948985825 719824398 /nfs/dbraw/zinc/82/43/98/719824398.db2.gz GDVDNPYRRFXRTA-WMZOPIPTSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948985825 719824401 /nfs/dbraw/zinc/82/44/01/719824401.db2.gz GDVDNPYRRFXRTA-WMZOPIPTSA-N 2 1 313.445 1.840 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968937032 719885980 /nfs/dbraw/zinc/88/59/80/719885980.db2.gz YFLRZAASZKVMTN-QGZVFWFLSA-N 2 1 317.477 1.999 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189378 719949628 /nfs/dbraw/zinc/94/96/28/719949628.db2.gz SJFABOCBJCBTBQ-JKSUJKDBSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000969705009 720257659 /nfs/dbraw/zinc/25/76/59/720257659.db2.gz JVHJHXGXZAGTIK-ZIAGYGMSSA-N 2 1 315.845 1.039 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969836928 720527121 /nfs/dbraw/zinc/52/71/21/720527121.db2.gz PECHXMQQIFQWGB-ZFWWWQNUSA-N 2 1 302.422 1.773 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969864307 720539898 /nfs/dbraw/zinc/53/98/98/720539898.db2.gz ALZVKGZGNUTWOQ-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969864307 720539901 /nfs/dbraw/zinc/53/99/01/720539901.db2.gz ALZVKGZGNUTWOQ-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000970712780 720903135 /nfs/dbraw/zinc/90/31/35/720903135.db2.gz RVBHELYYKAUDEU-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632896 735364171 /nfs/dbraw/zinc/36/41/71/735364171.db2.gz RJCUQOBEWIVLCN-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632896 735364173 /nfs/dbraw/zinc/36/41/73/735364173.db2.gz RJCUQOBEWIVLCN-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707137 735408845 /nfs/dbraw/zinc/40/88/45/735408845.db2.gz KLEIZAWVBKNKGN-HNNXBMFYSA-N 2 1 314.433 1.613 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470234 732328008 /nfs/dbraw/zinc/32/80/08/732328008.db2.gz GFOMXBUZSSUHHY-RDJZCZTQSA-N 2 1 300.406 1.043 20 30 DDEDMP C=CCN(CCN1C[C@@H]2C[N@@H+](CCC)C[C@@H]2C1)C(=O)OCC ZINC001209024675 732563881 /nfs/dbraw/zinc/56/38/81/732563881.db2.gz VYSFIFCZTROUGC-IYBDPMFKSA-N 2 1 309.454 1.905 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001021048218 732914909 /nfs/dbraw/zinc/91/49/09/732914909.db2.gz VOXZPACVSGAUIK-IJLUTSLNSA-N 2 1 316.243 1.084 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001021285847 733107980 /nfs/dbraw/zinc/10/79/80/733107980.db2.gz UBMPSQZJMDYRNH-FBVQUNGASA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001021285847 733107984 /nfs/dbraw/zinc/10/79/84/733107984.db2.gz UBMPSQZJMDYRNH-FBVQUNGASA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC ZINC001021285847 733107988 /nfs/dbraw/zinc/10/79/88/733107988.db2.gz UBMPSQZJMDYRNH-FBVQUNGASA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC ZINC001021285847 733107990 /nfs/dbraw/zinc/10/79/90/733107990.db2.gz UBMPSQZJMDYRNH-FBVQUNGASA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001027966241 738877425 /nfs/dbraw/zinc/87/74/25/738877425.db2.gz MLDXSFVXZOAFSX-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966241 738877432 /nfs/dbraw/zinc/87/74/32/738877432.db2.gz MLDXSFVXZOAFSX-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966241 738877435 /nfs/dbraw/zinc/87/74/35/738877435.db2.gz MLDXSFVXZOAFSX-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966241 738877439 /nfs/dbraw/zinc/87/74/39/738877439.db2.gz MLDXSFVXZOAFSX-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966241 738877442 /nfs/dbraw/zinc/87/74/42/738877442.db2.gz MLDXSFVXZOAFSX-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372087 735203694 /nfs/dbraw/zinc/20/36/94/735203694.db2.gz MLBXEABEKGPGDT-WBVHZDCISA-N 2 1 303.450 1.180 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023466906 735254753 /nfs/dbraw/zinc/25/47/53/735254753.db2.gz QQGIXNYILODNMW-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035255006 751360854 /nfs/dbraw/zinc/36/08/54/751360854.db2.gz XKTPSGZLFAPQHM-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479874 735862198 /nfs/dbraw/zinc/86/21/98/735862198.db2.gz RZSJXVRJHVLYCJ-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479874 735862203 /nfs/dbraw/zinc/86/22/03/735862203.db2.gz RZSJXVRJHVLYCJ-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479876 735862374 /nfs/dbraw/zinc/86/23/74/735862374.db2.gz RZSJXVRJHVLYCJ-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479876 735862375 /nfs/dbraw/zinc/86/23/75/735862375.db2.gz RZSJXVRJHVLYCJ-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516797 735894473 /nfs/dbraw/zinc/89/44/73/735894473.db2.gz NWRLBXDNQPAAHA-LSDHHAIUSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516797 735894477 /nfs/dbraw/zinc/89/44/77/735894477.db2.gz NWRLBXDNQPAAHA-LSDHHAIUSA-N 2 1 300.406 1.049 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001024617610 735985639 /nfs/dbraw/zinc/98/56/39/735985639.db2.gz KOJQJUSRRWNXKX-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024617610 735985642 /nfs/dbraw/zinc/98/56/42/735985642.db2.gz KOJQJUSRRWNXKX-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024617610 735985644 /nfs/dbraw/zinc/98/56/44/735985644.db2.gz KOJQJUSRRWNXKX-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083275954 736238510 /nfs/dbraw/zinc/23/85/10/736238510.db2.gz FSMCLMXHZVTJKA-JKSUJKDBSA-N 2 1 318.421 1.069 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3C)[C@H]2C1 ZINC001083275954 736238515 /nfs/dbraw/zinc/23/85/15/736238515.db2.gz FSMCLMXHZVTJKA-JKSUJKDBSA-N 2 1 318.421 1.069 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042357858 737935453 /nfs/dbraw/zinc/93/54/53/737935453.db2.gz MEXGSIWLSLDTLF-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001028333453 739366302 /nfs/dbraw/zinc/36/63/02/739366302.db2.gz LMKAZOOFUMEALS-KZJSRBBCSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001028333453 739366307 /nfs/dbraw/zinc/36/63/07/739366307.db2.gz LMKAZOOFUMEALS-KZJSRBBCSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998177293 751568970 /nfs/dbraw/zinc/56/89/70/751568970.db2.gz RZMOTZVLJNKWEH-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972212 740899787 /nfs/dbraw/zinc/89/97/87/740899787.db2.gz RJLUKDRGSUYYTQ-LTIDMASMSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972212 740899790 /nfs/dbraw/zinc/89/97/90/740899790.db2.gz RJLUKDRGSUYYTQ-LTIDMASMSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972212 740899791 /nfs/dbraw/zinc/89/97/91/740899791.db2.gz RJLUKDRGSUYYTQ-LTIDMASMSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129395 741050104 /nfs/dbraw/zinc/05/01/04/741050104.db2.gz LWOZSUBJGWYXGL-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621645 742019550 /nfs/dbraw/zinc/01/95/50/742019550.db2.gz NBKMTHOVTRLJNU-ZACQAIPSSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621645 742019556 /nfs/dbraw/zinc/01/95/56/742019556.db2.gz NBKMTHOVTRLJNU-ZACQAIPSSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621645 742019559 /nfs/dbraw/zinc/01/95/59/742019559.db2.gz NBKMTHOVTRLJNU-ZACQAIPSSA-N 2 1 305.466 1.852 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457671 742741365 /nfs/dbraw/zinc/74/13/65/742741365.db2.gz MXYDFVXXPLWVME-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457671 742741367 /nfs/dbraw/zinc/74/13/67/742741367.db2.gz MXYDFVXXPLWVME-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457671 742741368 /nfs/dbraw/zinc/74/13/68/742741368.db2.gz MXYDFVXXPLWVME-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457671 742741369 /nfs/dbraw/zinc/74/13/69/742741369.db2.gz MXYDFVXXPLWVME-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC#CCOC)C1 ZINC001183228221 743799910 /nfs/dbraw/zinc/79/99/10/743799910.db2.gz AVBPIWIUDMPCQP-SJLPKXTDSA-N 2 1 323.481 1.052 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035750472 751863704 /nfs/dbraw/zinc/86/37/04/751863704.db2.gz OFOAEHJNXYZLIG-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992283747 744748958 /nfs/dbraw/zinc/74/89/58/744748958.db2.gz LBDFKVNQWDOONQ-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992355739 744818505 /nfs/dbraw/zinc/81/85/05/744818505.db2.gz BAKHOXHVLPZGRE-WMZOPIPTSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992355739 744818507 /nfs/dbraw/zinc/81/85/07/744818507.db2.gz BAKHOXHVLPZGRE-WMZOPIPTSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992405662 744858778 /nfs/dbraw/zinc/85/87/78/744858778.db2.gz HAVRCGZWUYFVDA-MAUKXSAKSA-N 2 1 303.450 1.772 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992414305 744864540 /nfs/dbraw/zinc/86/45/40/744864540.db2.gz WYYMYAHCJUUQAJ-YJBOKZPZSA-N 2 1 303.450 1.772 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221922 745143903 /nfs/dbraw/zinc/14/39/03/745143903.db2.gz SYKHWJPJNLQONR-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221920 745144063 /nfs/dbraw/zinc/14/40/63/745144063.db2.gz SYKHWJPJNLQONR-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190248247 745161104 /nfs/dbraw/zinc/16/11/04/745161104.db2.gz ZJXDNURPLHWEQL-IXDOHACOSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190248247 745161111 /nfs/dbraw/zinc/16/11/11/745161111.db2.gz ZJXDNURPLHWEQL-IXDOHACOSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190248247 745161116 /nfs/dbraw/zinc/16/11/16/745161116.db2.gz ZJXDNURPLHWEQL-IXDOHACOSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890386 745369250 /nfs/dbraw/zinc/36/92/50/745369250.db2.gz QPLDCLMVELAYIQ-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080690 745419651 /nfs/dbraw/zinc/41/96/51/745419651.db2.gz LGLHCKPRKPPRAQ-INIZCTEOSA-N 2 1 310.401 1.812 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192435090 745785584 /nfs/dbraw/zinc/78/55/84/745785584.db2.gz JIKRDACEGFRJCB-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194238962 746316723 /nfs/dbraw/zinc/31/67/23/746316723.db2.gz RQJLXOXADFPHLD-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001197157926 747088892 /nfs/dbraw/zinc/08/88/92/747088892.db2.gz ACIXVNJUICNROX-MRXNPFEDSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001197157926 747088896 /nfs/dbraw/zinc/08/88/96/747088896.db2.gz ACIXVNJUICNROX-MRXNPFEDSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001197157926 747088902 /nfs/dbraw/zinc/08/89/02/747088902.db2.gz ACIXVNJUICNROX-MRXNPFEDSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492738 747102659 /nfs/dbraw/zinc/10/26/59/747102659.db2.gz NJXLWOACQOLDLE-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492738 747102662 /nfs/dbraw/zinc/10/26/62/747102662.db2.gz NJXLWOACQOLDLE-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492738 747102665 /nfs/dbraw/zinc/10/26/65/747102665.db2.gz NJXLWOACQOLDLE-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001198190680 747415589 /nfs/dbraw/zinc/41/55/89/747415589.db2.gz QQNMOOARKZJZMB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001198190680 747415593 /nfs/dbraw/zinc/41/55/93/747415593.db2.gz QQNMOOARKZJZMB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001198190680 747415597 /nfs/dbraw/zinc/41/55/97/747415597.db2.gz QQNMOOARKZJZMB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001198190680 747415600 /nfs/dbraw/zinc/41/56/00/747415600.db2.gz QQNMOOARKZJZMB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851003 748066129 /nfs/dbraw/zinc/06/61/29/748066129.db2.gz SAQIJJSIQPFNAE-MHORFTMASA-N 2 1 317.477 1.683 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200480324 748254915 /nfs/dbraw/zinc/25/49/15/748254915.db2.gz ZPZDYKLYNYFVMR-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004376618 748383133 /nfs/dbraw/zinc/38/31/33/748383133.db2.gz WEAILHODZBDXGW-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004376618 748383141 /nfs/dbraw/zinc/38/31/41/748383141.db2.gz WEAILHODZBDXGW-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001004376618 748383149 /nfs/dbraw/zinc/38/31/49/748383149.db2.gz WEAILHODZBDXGW-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201230399 748437598 /nfs/dbraw/zinc/43/75/98/748437598.db2.gz PDDCMZDCCWATED-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004472642 748463111 /nfs/dbraw/zinc/46/31/11/748463111.db2.gz GXCDBVKIMRACEQ-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472642 748463113 /nfs/dbraw/zinc/46/31/13/748463113.db2.gz GXCDBVKIMRACEQ-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472642 748463114 /nfs/dbraw/zinc/46/31/14/748463114.db2.gz GXCDBVKIMRACEQ-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2cnc[nH]2)C1 ZINC001089871385 748510567 /nfs/dbraw/zinc/51/05/67/748510567.db2.gz YNXBLWJKAWTJCI-TUUVXOQKSA-N 2 1 300.406 1.307 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863220 748613861 /nfs/dbraw/zinc/61/38/61/748613861.db2.gz JGPBALPFWDTHJV-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032118615 748669100 /nfs/dbraw/zinc/66/91/00/748669100.db2.gz MLHBDTYJECKCNW-UHFFFAOYSA-N 2 1 303.450 1.180 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033197655 748852543 /nfs/dbraw/zinc/85/25/43/748852543.db2.gz RDNOSEYZQYNWJZ-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033197655 748852548 /nfs/dbraw/zinc/85/25/48/748852548.db2.gz RDNOSEYZQYNWJZ-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033197655 748852554 /nfs/dbraw/zinc/85/25/54/748852554.db2.gz RDNOSEYZQYNWJZ-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033197655 748852560 /nfs/dbraw/zinc/85/25/60/748852560.db2.gz RDNOSEYZQYNWJZ-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001039309593 761924093 /nfs/dbraw/zinc/92/40/93/761924093.db2.gz RNXGHTLZNZBBMW-NPYXIHBLSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001039309593 761924096 /nfs/dbraw/zinc/92/40/96/761924096.db2.gz RNXGHTLZNZBBMW-NPYXIHBLSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366894 749255945 /nfs/dbraw/zinc/25/59/45/749255945.db2.gz WYGGSMFABRMORM-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366894 749255947 /nfs/dbraw/zinc/25/59/47/749255947.db2.gz WYGGSMFABRMORM-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571194 749568939 /nfs/dbraw/zinc/56/89/39/749568939.db2.gz LTOUHVJCYTWEHH-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033677401 749704406 /nfs/dbraw/zinc/70/44/06/749704406.db2.gz BCCJWPNGQAXCFK-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033677401 749704411 /nfs/dbraw/zinc/70/44/11/749704411.db2.gz BCCJWPNGQAXCFK-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033677401 749704417 /nfs/dbraw/zinc/70/44/17/749704417.db2.gz BCCJWPNGQAXCFK-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033677401 749704423 /nfs/dbraw/zinc/70/44/23/749704423.db2.gz BCCJWPNGQAXCFK-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039373083 761974336 /nfs/dbraw/zinc/97/43/36/761974336.db2.gz CYONTWKIZWIMGR-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373083 761974341 /nfs/dbraw/zinc/97/43/41/761974341.db2.gz CYONTWKIZWIMGR-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373083 761974342 /nfs/dbraw/zinc/97/43/42/761974342.db2.gz CYONTWKIZWIMGR-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825387 749934668 /nfs/dbraw/zinc/93/46/68/749934668.db2.gz DWJYZGYZVKVHIW-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825387 749934671 /nfs/dbraw/zinc/93/46/71/749934671.db2.gz DWJYZGYZVKVHIW-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825387 749934674 /nfs/dbraw/zinc/93/46/74/749934674.db2.gz DWJYZGYZVKVHIW-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033836120 749959612 /nfs/dbraw/zinc/95/96/12/749959612.db2.gz LLDMURMNWLUSQW-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001095611486 750078590 /nfs/dbraw/zinc/07/85/90/750078590.db2.gz RUHZTCZZBBJEEL-UHDSXZAQSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001095611486 750078594 /nfs/dbraw/zinc/07/85/94/750078594.db2.gz RUHZTCZZBBJEEL-UHDSXZAQSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611486 750078600 /nfs/dbraw/zinc/07/86/00/750078600.db2.gz RUHZTCZZBBJEEL-UHDSXZAQSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611486 750078604 /nfs/dbraw/zinc/07/86/04/750078604.db2.gz RUHZTCZZBBJEEL-UHDSXZAQSA-N 2 1 321.465 1.393 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005496334 750252084 /nfs/dbraw/zinc/25/20/84/750252084.db2.gz HXEQOUYWGGSYRK-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC(C)C)C2)CC1 ZINC001034538499 750541565 /nfs/dbraw/zinc/54/15/65/750541565.db2.gz NKAASXGNPXPCRE-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089904632 750669413 /nfs/dbraw/zinc/66/94/13/750669413.db2.gz DIVHZVXGIMABEL-YVSFHVDLSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089904632 750669415 /nfs/dbraw/zinc/66/94/15/750669415.db2.gz DIVHZVXGIMABEL-YVSFHVDLSA-N 2 1 314.433 1.546 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470783 762060918 /nfs/dbraw/zinc/06/09/18/762060918.db2.gz SKSPBHLWKQUCOS-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470783 762060927 /nfs/dbraw/zinc/06/09/27/762060927.db2.gz SKSPBHLWKQUCOS-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(=C)C ZINC001032453830 750882195 /nfs/dbraw/zinc/88/21/95/750882195.db2.gz QDGXTVYFINUGRA-ULQDDVLXSA-N 2 1 301.434 1.335 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(=C)C ZINC001032453830 750882201 /nfs/dbraw/zinc/88/22/01/750882201.db2.gz QDGXTVYFINUGRA-ULQDDVLXSA-N 2 1 301.434 1.335 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(=C)C ZINC001032453830 750882207 /nfs/dbraw/zinc/88/22/07/750882207.db2.gz QDGXTVYFINUGRA-ULQDDVLXSA-N 2 1 301.434 1.335 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(=C)C ZINC001032453830 750882213 /nfs/dbraw/zinc/88/22/13/750882213.db2.gz QDGXTVYFINUGRA-ULQDDVLXSA-N 2 1 301.434 1.335 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000997626702 751165632 /nfs/dbraw/zinc/16/56/32/751165632.db2.gz UKONWGYGOFWIQT-NWANDNLSSA-N 2 1 302.422 1.916 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007750488 752313925 /nfs/dbraw/zinc/31/39/25/752313925.db2.gz XYVFAJOQJVJHSV-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007750488 752313934 /nfs/dbraw/zinc/31/39/34/752313934.db2.gz XYVFAJOQJVJHSV-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007750488 752313944 /nfs/dbraw/zinc/31/39/44/752313944.db2.gz XYVFAJOQJVJHSV-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007750488 752313955 /nfs/dbraw/zinc/31/39/55/752313955.db2.gz XYVFAJOQJVJHSV-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007895611 752422608 /nfs/dbraw/zinc/42/26/08/752422608.db2.gz LLFJZVBSRIMDDI-HNNXBMFYSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999554732 752991458 /nfs/dbraw/zinc/99/14/58/752991458.db2.gz BYVXPTAPXRHTFP-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000779695 762192828 /nfs/dbraw/zinc/19/28/28/762192828.db2.gz ZIXXNTHTOABTLV-INIZCTEOSA-N 2 1 312.417 1.532 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000779695 762192830 /nfs/dbraw/zinc/19/28/30/762192830.db2.gz ZIXXNTHTOABTLV-INIZCTEOSA-N 2 1 312.417 1.532 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430457 753471100 /nfs/dbraw/zinc/47/11/00/753471100.db2.gz OCKBTFZTSYVFSS-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430457 753471102 /nfs/dbraw/zinc/47/11/02/753471102.db2.gz OCKBTFZTSYVFSS-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430457 753471105 /nfs/dbraw/zinc/47/11/05/753471105.db2.gz OCKBTFZTSYVFSS-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001108025303 753584281 /nfs/dbraw/zinc/58/42/81/753584281.db2.gz YYFWXZDVTJRNKD-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001835017 754545151 /nfs/dbraw/zinc/54/51/51/754545151.db2.gz ULXICPHJWVZZEX-IUODEOHRSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001835017 754545154 /nfs/dbraw/zinc/54/51/54/754545154.db2.gz ULXICPHJWVZZEX-IUODEOHRSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079707560 755540524 /nfs/dbraw/zinc/54/05/24/755540524.db2.gz KNAMVWCBTXQTIK-HYVNUMGLSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079848576 755620444 /nfs/dbraw/zinc/62/04/44/755620444.db2.gz CASFXZYZTULQSW-OIISXLGYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079848576 755620448 /nfs/dbraw/zinc/62/04/48/755620448.db2.gz CASFXZYZTULQSW-OIISXLGYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079848576 755620452 /nfs/dbraw/zinc/62/04/52/755620452.db2.gz CASFXZYZTULQSW-OIISXLGYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079848576 755620455 /nfs/dbraw/zinc/62/04/55/755620455.db2.gz CASFXZYZTULQSW-OIISXLGYSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342087 755857905 /nfs/dbraw/zinc/85/79/05/755857905.db2.gz GVYJBUCZWUMKFL-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342087 755857911 /nfs/dbraw/zinc/85/79/11/755857911.db2.gz GVYJBUCZWUMKFL-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015973906 756689600 /nfs/dbraw/zinc/68/96/00/756689600.db2.gz UREHQSHXGFWYOB-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015973906 756689601 /nfs/dbraw/zinc/68/96/01/756689601.db2.gz UREHQSHXGFWYOB-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015973906 756689602 /nfs/dbraw/zinc/68/96/02/756689602.db2.gz UREHQSHXGFWYOB-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040397375 762524723 /nfs/dbraw/zinc/52/47/23/762524723.db2.gz ZCPPJZAIGWOBHK-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040397375 762524728 /nfs/dbraw/zinc/52/47/28/762524728.db2.gz ZCPPJZAIGWOBHK-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040397375 762524731 /nfs/dbraw/zinc/52/47/31/762524731.db2.gz ZCPPJZAIGWOBHK-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001016818980 757377775 /nfs/dbraw/zinc/37/77/75/757377775.db2.gz ICVQCDIKCJINKB-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001094145 762546124 /nfs/dbraw/zinc/54/61/24/762546124.db2.gz TUMHKUITMJGNCB-UHFFFAOYSA-N 2 1 303.406 1.889 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545332 757654739 /nfs/dbraw/zinc/65/47/39/757654739.db2.gz FPFZOZMNELRVQT-KZNAEPCWSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545332 757654751 /nfs/dbraw/zinc/65/47/51/757654751.db2.gz FPFZOZMNELRVQT-KZNAEPCWSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084943678 758083820 /nfs/dbraw/zinc/08/38/20/758083820.db2.gz SCUQGUSBQUKPOQ-VQHPVUNQSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943678 758083824 /nfs/dbraw/zinc/08/38/24/758083824.db2.gz SCUQGUSBQUKPOQ-VQHPVUNQSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943678 758083828 /nfs/dbraw/zinc/08/38/28/758083828.db2.gz SCUQGUSBQUKPOQ-VQHPVUNQSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085096861 758236069 /nfs/dbraw/zinc/23/60/69/758236069.db2.gz WDBQMVGSAFGTJY-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085096861 758236075 /nfs/dbraw/zinc/23/60/75/758236075.db2.gz WDBQMVGSAFGTJY-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096861 758236078 /nfs/dbraw/zinc/23/60/78/758236078.db2.gz WDBQMVGSAFGTJY-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096861 758236085 /nfs/dbraw/zinc/23/60/85/758236085.db2.gz WDBQMVGSAFGTJY-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054134195 759207415 /nfs/dbraw/zinc/20/74/15/759207415.db2.gz WFBDPBNLLWUOTD-HKUYNNGSSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001054213767 759298191 /nfs/dbraw/zinc/29/81/91/759298191.db2.gz JUTNAUOOTONTOO-GOSISDBHSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001054213767 759298194 /nfs/dbraw/zinc/29/81/94/759298194.db2.gz JUTNAUOOTONTOO-GOSISDBHSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCCCC1)C2 ZINC001054244256 759334422 /nfs/dbraw/zinc/33/44/22/759334422.db2.gz BJDGGROCKOXXIP-IBGZPJMESA-N 2 1 317.477 1.810 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018985943 759478899 /nfs/dbraw/zinc/47/88/99/759478899.db2.gz NDEPWOAGYAABIV-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001018985943 759478904 /nfs/dbraw/zinc/47/89/04/759478904.db2.gz NDEPWOAGYAABIV-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668922 759963125 /nfs/dbraw/zinc/96/31/25/759963125.db2.gz NIRYVDZESKRHGI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778861 760211947 /nfs/dbraw/zinc/21/19/47/760211947.db2.gz IXXRBMHKKSPWLZ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778861 760211951 /nfs/dbraw/zinc/21/19/51/760211951.db2.gz IXXRBMHKKSPWLZ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778861 760211955 /nfs/dbraw/zinc/21/19/55/760211955.db2.gz IXXRBMHKKSPWLZ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778861 760211958 /nfs/dbraw/zinc/21/19/58/760211958.db2.gz IXXRBMHKKSPWLZ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001097971676 760310714 /nfs/dbraw/zinc/31/07/14/760310714.db2.gz FWAYIEMZJYNRSR-MLHJIOFPSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213085 760383541 /nfs/dbraw/zinc/38/35/41/760383541.db2.gz LDFSNSAFBKOCCH-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213085 760383550 /nfs/dbraw/zinc/38/35/50/760383550.db2.gz LDFSNSAFBKOCCH-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213085 760383557 /nfs/dbraw/zinc/38/35/57/760383557.db2.gz LDFSNSAFBKOCCH-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855764 760391954 /nfs/dbraw/zinc/39/19/54/760391954.db2.gz INUIQZUDYVKMMM-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866468 760410057 /nfs/dbraw/zinc/41/00/57/760410057.db2.gz JCLWKPHMESGVMO-INIZCTEOSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(C)C)CC1 ZINC001085984452 760663008 /nfs/dbraw/zinc/66/30/08/760663008.db2.gz DKCXOSFJLBRTIX-QGZVFWFLSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001020239781 760711507 /nfs/dbraw/zinc/71/15/07/760711507.db2.gz HLQIEQQTRGIETP-AVGNSLFASA-N 2 1 308.813 1.750 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038694916 761295596 /nfs/dbraw/zinc/29/55/96/761295596.db2.gz AXEXTLIPHOMWIC-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038694916 761295600 /nfs/dbraw/zinc/29/56/00/761295600.db2.gz AXEXTLIPHOMWIC-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000204020 761572236 /nfs/dbraw/zinc/57/22/36/761572236.db2.gz YLMKJFUTBVPAFR-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001040883119 762720069 /nfs/dbraw/zinc/72/00/69/762720069.db2.gz WYUBCJKBBHSCDN-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404530 762832781 /nfs/dbraw/zinc/83/27/81/762832781.db2.gz ISAVERCZTIPHOL-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC=C)CC2)CC1 ZINC001001467705 762890144 /nfs/dbraw/zinc/89/01/44/762890144.db2.gz LPLWUOUGXYMFKM-UHFFFAOYSA-N 2 1 301.434 1.266 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285718 762934160 /nfs/dbraw/zinc/93/41/60/762934160.db2.gz HEVPNYCDHCRYDU-PKOBYXMFSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001041369250 762983983 /nfs/dbraw/zinc/98/39/83/762983983.db2.gz WVMLPEVTQVAPBZ-WMZOPIPTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001041369250 762983990 /nfs/dbraw/zinc/98/39/90/762983990.db2.gz WVMLPEVTQVAPBZ-WMZOPIPTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001041369250 762983992 /nfs/dbraw/zinc/98/39/92/762983992.db2.gz WVMLPEVTQVAPBZ-WMZOPIPTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001041369250 762983993 /nfs/dbraw/zinc/98/39/93/762983993.db2.gz WVMLPEVTQVAPBZ-WMZOPIPTSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041371077 762985419 /nfs/dbraw/zinc/98/54/19/762985419.db2.gz JZQFWWQYIDKIHK-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041371077 762985422 /nfs/dbraw/zinc/98/54/22/762985422.db2.gz JZQFWWQYIDKIHK-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041371077 762985427 /nfs/dbraw/zinc/98/54/27/762985427.db2.gz JZQFWWQYIDKIHK-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050130359 763186330 /nfs/dbraw/zinc/18/63/30/763186330.db2.gz VMOMXPDERTVOMM-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424571 768121127 /nfs/dbraw/zinc/12/11/27/768121127.db2.gz WOHQNNQXMISJKG-AWEZNQCLSA-N 2 1 304.438 1.822 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788791 763333257 /nfs/dbraw/zinc/33/32/57/763333257.db2.gz ISWTXRFUPJIRAL-GOSISDBHSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001050542267 763732865 /nfs/dbraw/zinc/73/28/65/763732865.db2.gz BPNRCQRSWTWSRE-HNNXBMFYSA-N 2 1 312.417 1.318 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)CC1 ZINC001050576234 763771828 /nfs/dbraw/zinc/77/18/28/763771828.db2.gz LWAIEOJIWLEMJJ-UHFFFAOYSA-N 2 1 318.421 1.460 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046986398 768172217 /nfs/dbraw/zinc/17/22/17/768172217.db2.gz BTDPGSQISWLTMY-CYBMUJFWSA-N 2 1 313.392 1.342 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050661836 763885006 /nfs/dbraw/zinc/88/50/06/763885006.db2.gz DHUBAFZXXMDDCO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316708 763907802 /nfs/dbraw/zinc/90/78/02/763907802.db2.gz RIZMOKRQXZSWLP-WMLDXEAASA-N 2 1 312.417 1.317 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050730170 763971575 /nfs/dbraw/zinc/97/15/75/763971575.db2.gz GAKKGSDPJXIIHY-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109728979 763975657 /nfs/dbraw/zinc/97/56/57/763975657.db2.gz NIIAWJGUEUJUAE-PMPSAXMXSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109728979 763975665 /nfs/dbraw/zinc/97/56/65/763975665.db2.gz NIIAWJGUEUJUAE-PMPSAXMXSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109728979 763975671 /nfs/dbraw/zinc/97/56/71/763975671.db2.gz NIIAWJGUEUJUAE-PMPSAXMXSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007161 764291851 /nfs/dbraw/zinc/29/18/51/764291851.db2.gz KTFKPWOJQFOASG-IKGGRYGDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC[NH+](C)C)C[C@@H](C)O2 ZINC001131697299 768279829 /nfs/dbraw/zinc/27/98/29/768279829.db2.gz JAWZPETYYPZRFZ-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001044653441 765727620 /nfs/dbraw/zinc/72/76/20/765727620.db2.gz BSQUHKWHNHVNEQ-ZIAGYGMSSA-N 2 1 320.437 1.895 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001113536460 765821122 /nfs/dbraw/zinc/82/11/22/765821122.db2.gz RENOMULRBQMHCR-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663690 766051192 /nfs/dbraw/zinc/05/11/92/766051192.db2.gz WSSKILHRAXBLBD-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663690 766051198 /nfs/dbraw/zinc/05/11/98/766051198.db2.gz WSSKILHRAXBLBD-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045475489 766332797 /nfs/dbraw/zinc/33/27/97/766332797.db2.gz IZBKMXPSEFVWDS-DLBZAZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045922067 766704691 /nfs/dbraw/zinc/70/46/91/766704691.db2.gz YAZJIJUSTGPNAQ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045922067 766704696 /nfs/dbraw/zinc/70/46/96/766704696.db2.gz YAZJIJUSTGPNAQ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045922067 766704698 /nfs/dbraw/zinc/70/46/98/766704698.db2.gz YAZJIJUSTGPNAQ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175518 769100074 /nfs/dbraw/zinc/10/00/74/769100074.db2.gz FWIJRXRUWZLAIK-DOTOQJQBSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791408 769200186 /nfs/dbraw/zinc/20/01/86/769200186.db2.gz YWVYOMQFZMZYPC-KRWDZBQOSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133121049 769512074 /nfs/dbraw/zinc/51/20/74/769512074.db2.gz DBUWFFKFQXUACC-HOTGVXAUSA-N 2 1 307.482 1.672 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560370 769532131 /nfs/dbraw/zinc/53/21/31/769532131.db2.gz JXTKAMRXVCJXIE-VBUUOAMHSA-N 2 1 317.477 1.711 20 30 DDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133347085 769728165 /nfs/dbraw/zinc/72/81/65/769728165.db2.gz SESHTTMKSXFRBA-DLBZAZTESA-N 2 1 323.481 1.051 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048884628 770046202 /nfs/dbraw/zinc/04/62/02/770046202.db2.gz FMGFIXRIUPBBAV-CALCHBBNSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107429 770390705 /nfs/dbraw/zinc/39/07/05/770390705.db2.gz JNWUJNBKSDTKTO-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107429 770390716 /nfs/dbraw/zinc/39/07/16/770390716.db2.gz JNWUJNBKSDTKTO-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107429 770390732 /nfs/dbraw/zinc/39/07/32/770390732.db2.gz JNWUJNBKSDTKTO-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234226 770580252 /nfs/dbraw/zinc/58/02/52/770580252.db2.gz BLMKGAOOBYTPEM-FGTMMUONSA-N 2 1 313.445 1.866 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234226 770580254 /nfs/dbraw/zinc/58/02/54/770580254.db2.gz BLMKGAOOBYTPEM-FGTMMUONSA-N 2 1 313.445 1.866 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821014 771186071 /nfs/dbraw/zinc/18/60/71/771186071.db2.gz QTDOQVGHAWWQEI-ZWKOTPCHSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049916678 771256751 /nfs/dbraw/zinc/25/67/51/771256751.db2.gz FHYDBHHBBJZWQW-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049916678 771256752 /nfs/dbraw/zinc/25/67/52/771256752.db2.gz FHYDBHHBBJZWQW-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049916678 771256757 /nfs/dbraw/zinc/25/67/57/771256757.db2.gz FHYDBHHBBJZWQW-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021356 771282061 /nfs/dbraw/zinc/28/20/61/771282061.db2.gz NGSKARIMRPYPEZ-UONOGXRCSA-N 2 1 302.422 1.268 20 30 DDEDMP C=C(Cl)C[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892322 771770323 /nfs/dbraw/zinc/77/03/23/771770323.db2.gz FKNOVTJSQBUMOH-UHFFFAOYSA-N 2 1 305.769 1.339 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147646908 773189703 /nfs/dbraw/zinc/18/97/03/773189703.db2.gz INVXVDWUNALGQH-OAHLLOKOSA-N 2 1 309.429 1.224 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001147886560 773270928 /nfs/dbraw/zinc/27/09/28/773270928.db2.gz XRFICDHJLMLCCD-CQSZACIVSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899507 773291789 /nfs/dbraw/zinc/29/17/89/773291789.db2.gz ZRFHHVCMTVVXQL-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147899507 773291792 /nfs/dbraw/zinc/29/17/92/773291792.db2.gz ZRFHHVCMTVVXQL-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738428 773554916 /nfs/dbraw/zinc/55/49/16/773554916.db2.gz XOVUNOPWJBGMDO-RKVPGOIHSA-N 2 1 314.433 1.727 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738428 773554924 /nfs/dbraw/zinc/55/49/24/773554924.db2.gz XOVUNOPWJBGMDO-RKVPGOIHSA-N 2 1 314.433 1.727 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC001148638095 773560667 /nfs/dbraw/zinc/56/06/67/773560667.db2.gz BXOFDIFFEQUMNJ-UHFFFAOYSA-N 2 1 318.421 1.114 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001148893286 773625928 /nfs/dbraw/zinc/62/59/28/773625928.db2.gz AKKKCXFAHWZTRD-UHFFFAOYSA-N 2 1 311.429 1.286 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001148893286 773625933 /nfs/dbraw/zinc/62/59/33/773625933.db2.gz AKKKCXFAHWZTRD-UHFFFAOYSA-N 2 1 311.429 1.286 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893286 773625935 /nfs/dbraw/zinc/62/59/35/773625935.db2.gz AKKKCXFAHWZTRD-UHFFFAOYSA-N 2 1 311.429 1.286 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893286 773625940 /nfs/dbraw/zinc/62/59/40/773625940.db2.gz AKKKCXFAHWZTRD-UHFFFAOYSA-N 2 1 311.429 1.286 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001074658805 774052560 /nfs/dbraw/zinc/05/25/60/774052560.db2.gz BWYBPFPNECCWQN-KKUMJFAQSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618261 774201163 /nfs/dbraw/zinc/20/11/63/774201163.db2.gz HDSJJOBPMBVXGU-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618261 774201169 /nfs/dbraw/zinc/20/11/69/774201169.db2.gz HDSJJOBPMBVXGU-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618261 774201171 /nfs/dbraw/zinc/20/11/71/774201171.db2.gz HDSJJOBPMBVXGU-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001098446922 774584741 /nfs/dbraw/zinc/58/47/41/774584741.db2.gz RGJTYKQYVHRPGE-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001098446922 774584744 /nfs/dbraw/zinc/58/47/44/774584744.db2.gz RGJTYKQYVHRPGE-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098446922 774584747 /nfs/dbraw/zinc/58/47/47/774584747.db2.gz RGJTYKQYVHRPGE-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098446922 774584750 /nfs/dbraw/zinc/58/47/50/774584750.db2.gz RGJTYKQYVHRPGE-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCF)CC1 ZINC001098462909 774587025 /nfs/dbraw/zinc/58/70/25/774587025.db2.gz USDDYOHLLGIJIB-ZACQAIPSSA-N 2 1 321.440 1.413 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001099169551 774878092 /nfs/dbraw/zinc/87/80/92/774878092.db2.gz VRCVMFJYWOCWGG-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001099169551 774878101 /nfs/dbraw/zinc/87/81/01/774878101.db2.gz VRCVMFJYWOCWGG-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099169551 774878111 /nfs/dbraw/zinc/87/81/11/774878111.db2.gz VRCVMFJYWOCWGG-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099169551 774878120 /nfs/dbraw/zinc/87/81/20/774878120.db2.gz VRCVMFJYWOCWGG-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854729 774944049 /nfs/dbraw/zinc/94/40/49/774944049.db2.gz PXFONRUCJCPGGP-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036871685 775008919 /nfs/dbraw/zinc/00/89/19/775008919.db2.gz ORFMDGLPMLUGBM-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC)CC3)CC1 ZINC001094582274 776056955 /nfs/dbraw/zinc/05/69/55/776056955.db2.gz LWTGFNYLGCMAFG-IEBWSBKVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100410825 776116885 /nfs/dbraw/zinc/11/68/85/776116885.db2.gz PASXPKWFMWUKCS-UHFFFAOYSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513604 776260228 /nfs/dbraw/zinc/26/02/28/776260228.db2.gz CHKCCOYDWPWCJL-UHFFFAOYSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679967 776432094 /nfs/dbraw/zinc/43/20/94/776432094.db2.gz XZYICVKZYTYDLV-JMLCCBQJSA-N 2 1 323.456 1.707 20 30 DDEDMP COCC#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681457 776433804 /nfs/dbraw/zinc/43/38/04/776433804.db2.gz KFDUJLNINXVAIE-UHFFFAOYSA-N 2 1 323.481 1.099 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101039676 776848114 /nfs/dbraw/zinc/84/81/14/776848114.db2.gz XTVHFKFIOASNCN-BDVYOWHSSA-N 2 1 301.434 1.960 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341809 777084554 /nfs/dbraw/zinc/08/45/54/777084554.db2.gz QPVIZLLGQMBTTI-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101341809 777084560 /nfs/dbraw/zinc/08/45/60/777084560.db2.gz QPVIZLLGQMBTTI-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394152 777114883 /nfs/dbraw/zinc/11/48/83/777114883.db2.gz XUUGUMJVZCNQAK-AEFFLSMTSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101394152 777114887 /nfs/dbraw/zinc/11/48/87/777114887.db2.gz XUUGUMJVZCNQAK-AEFFLSMTSA-N 2 1 314.433 1.385 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001176070988 778011778 /nfs/dbraw/zinc/01/17/78/778011778.db2.gz ARYCESQOQDJRKD-AWEZNQCLSA-N 2 1 318.396 1.245 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001176072300 778013012 /nfs/dbraw/zinc/01/30/12/778013012.db2.gz OQXYLQBBODACED-HNNXBMFYSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513883 778180313 /nfs/dbraw/zinc/18/03/13/778180313.db2.gz FGXSSCRFCLCGQS-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513883 778180317 /nfs/dbraw/zinc/18/03/17/778180317.db2.gz FGXSSCRFCLCGQS-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513883 778180324 /nfs/dbraw/zinc/18/03/24/778180324.db2.gz FGXSSCRFCLCGQS-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=C(C)CCN1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124181 778435867 /nfs/dbraw/zinc/43/58/67/778435867.db2.gz HVPKCWMUHXKWDZ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177124181 778435870 /nfs/dbraw/zinc/43/58/70/778435870.db2.gz HVPKCWMUHXKWDZ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124181 778435873 /nfs/dbraw/zinc/43/58/73/778435873.db2.gz HVPKCWMUHXKWDZ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124181 778435876 /nfs/dbraw/zinc/43/58/76/778435876.db2.gz HVPKCWMUHXKWDZ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124181 778435879 /nfs/dbraw/zinc/43/58/79/778435879.db2.gz HVPKCWMUHXKWDZ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001177133301 778456281 /nfs/dbraw/zinc/45/62/81/778456281.db2.gz ZRHIDTITJOZPOP-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001177133301 778456285 /nfs/dbraw/zinc/45/62/85/778456285.db2.gz ZRHIDTITJOZPOP-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001177150213 778462186 /nfs/dbraw/zinc/46/21/86/778462186.db2.gz JHCOMDGUQZHJOJ-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001177150213 778462188 /nfs/dbraw/zinc/46/21/88/778462188.db2.gz JHCOMDGUQZHJOJ-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688669 779141287 /nfs/dbraw/zinc/14/12/87/779141287.db2.gz FOJNEHIGAVXKEZ-YESZJQIVSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926366 779215769 /nfs/dbraw/zinc/21/57/69/779215769.db2.gz SKJILOYAQSZEGD-BBWFWOEESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388499 779368836 /nfs/dbraw/zinc/36/88/36/779368836.db2.gz JUOCIVZKWBVWSS-BBWFWOEESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267179364 837479542 /nfs/dbraw/zinc/47/95/42/837479542.db2.gz OQBYBBQNEHEAND-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001267324755 837828167 /nfs/dbraw/zinc/82/81/67/837828167.db2.gz SQPOEEVPGYEBEF-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001267324755 837828179 /nfs/dbraw/zinc/82/81/79/837828179.db2.gz SQPOEEVPGYEBEF-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001267324755 837828189 /nfs/dbraw/zinc/82/81/89/837828189.db2.gz SQPOEEVPGYEBEF-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266325145 836123259 /nfs/dbraw/zinc/12/32/59/836123259.db2.gz KPPKRVJRQYAISM-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001266805072 836860779 /nfs/dbraw/zinc/86/07/79/836860779.db2.gz UPVIAQIQLPIEEI-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266965911 837125208 /nfs/dbraw/zinc/12/52/08/837125208.db2.gz XUZZULWHUCPIBE-HIFRSBDPSA-N 2 1 304.438 1.814 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCC(C)C)C2)CC1 ZINC001267669641 838610606 /nfs/dbraw/zinc/61/06/06/838610606.db2.gz JVTPZGXYLWGSJE-UHFFFAOYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267790695 838985309 /nfs/dbraw/zinc/98/53/09/838985309.db2.gz SBDQMSRUYVDITD-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001268070645 839646447 /nfs/dbraw/zinc/64/64/47/839646447.db2.gz JEKGMEMQUBWXRI-ZDUSSCGKSA-N 2 1 308.426 1.753 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCOC)C1 ZINC001268192871 839821881 /nfs/dbraw/zinc/82/18/81/839821881.db2.gz GNIGKONGFPUELU-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268640159 840619086 /nfs/dbraw/zinc/61/90/86/840619086.db2.gz ROLCWYQETUMPPL-PBHICJAKSA-N 2 1 317.408 1.366 20 30 DDEDMP CC#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001269634693 841878903 /nfs/dbraw/zinc/87/89/03/841878903.db2.gz SSNYEZJOGPQKPS-SFHVURJKSA-N 2 1 307.482 1.862 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001270364618 842517927 /nfs/dbraw/zinc/51/79/27/842517927.db2.gz SQNOLAZKYHIJDC-KRWDZBQOSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCOC)CCCC1 ZINC001270756370 842879809 /nfs/dbraw/zinc/87/98/09/842879809.db2.gz CZHLRLXDKNXMTM-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCOC)CCCC1 ZINC001270756370 842879814 /nfs/dbraw/zinc/87/98/14/842879814.db2.gz CZHLRLXDKNXMTM-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271100159 843212050 /nfs/dbraw/zinc/21/20/50/843212050.db2.gz IVPKYXSSEYNNIY-KGLIPLIRSA-N 2 1 317.424 1.976 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154785015 861451979 /nfs/dbraw/zinc/45/19/79/861451979.db2.gz WGPHNZXMFRIAEC-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154785015 861451984 /nfs/dbraw/zinc/45/19/84/861451984.db2.gz WGPHNZXMFRIAEC-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154785015 861451991 /nfs/dbraw/zinc/45/19/91/861451991.db2.gz WGPHNZXMFRIAEC-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001409471284 845145344 /nfs/dbraw/zinc/14/53/44/845145344.db2.gz NIMCKQJZSDAATH-GJZGRUSLSA-N 2 1 316.449 1.881 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001326987290 861774030 /nfs/dbraw/zinc/77/40/30/861774030.db2.gz BEWMMPWJNQWXDH-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001272770619 847401416 /nfs/dbraw/zinc/40/14/16/847401416.db2.gz WWMXPFHWNRRUCJ-BRWVUGGUSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340552 848356382 /nfs/dbraw/zinc/35/63/82/848356382.db2.gz QXRTXFSFVKWFLA-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299786 862175503 /nfs/dbraw/zinc/17/55/03/862175503.db2.gz SWZYOAUGHCYKQP-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150394824 862219752 /nfs/dbraw/zinc/21/97/52/862219752.db2.gz MLVUIKFSCYLLQC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001274445471 852277262 /nfs/dbraw/zinc/27/72/62/852277262.db2.gz IMMGPWSSDIGLSX-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717573 862432671 /nfs/dbraw/zinc/43/26/71/862432671.db2.gz YVMUWLUBJWGUPO-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150819158 862482715 /nfs/dbraw/zinc/48/27/15/862482715.db2.gz YJBXXNNMHNJYQZ-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001006431965 855403315 /nfs/dbraw/zinc/40/33/15/855403315.db2.gz SXDCGYOZVQZCSR-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006431965 855403323 /nfs/dbraw/zinc/40/33/23/855403323.db2.gz SXDCGYOZVQZCSR-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)C[C@@H]1C ZINC001328288358 862870559 /nfs/dbraw/zinc/87/05/59/862870559.db2.gz ZMGQCCJATYTGBV-GJZGRUSLSA-N 2 1 304.438 1.898 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035600 858028815 /nfs/dbraw/zinc/02/88/15/858028815.db2.gz KFBLWKSBDCHNGS-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC=C)C1 ZINC001276389066 858479357 /nfs/dbraw/zinc/47/93/57/858479357.db2.gz OFEOBHGNBRTBLF-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC=C)C1 ZINC001276389066 858479364 /nfs/dbraw/zinc/47/93/64/858479364.db2.gz OFEOBHGNBRTBLF-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001328529470 863036433 /nfs/dbraw/zinc/03/64/33/863036433.db2.gz NZJGWLPIIAHEQK-INIZCTEOSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330445870 864353773 /nfs/dbraw/zinc/35/37/73/864353773.db2.gz NNDFHYNCKJHQQG-JKSUJKDBSA-N 2 1 311.470 1.498 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001158437970 864656380 /nfs/dbraw/zinc/65/63/80/864656380.db2.gz IPWZBWJVJULDCZ-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001330952926 864731826 /nfs/dbraw/zinc/73/18/26/864731826.db2.gz AIKPGAAWUGERAF-UONOGXRCSA-N 2 1 301.862 1.955 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605181 864755972 /nfs/dbraw/zinc/75/59/72/864755972.db2.gz OJKIXUMOAOBJBA-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605181 864755982 /nfs/dbraw/zinc/75/59/82/864755982.db2.gz OJKIXUMOAOBJBA-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001331358034 865030336 /nfs/dbraw/zinc/03/03/36/865030336.db2.gz ABUJGOOYKOPBGG-ROUUACIJSA-N 2 1 313.445 1.749 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332033320 865519347 /nfs/dbraw/zinc/51/93/47/865519347.db2.gz ULTXPCUHENZNJA-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCN3CCOCC3)CCC[C@H]12 ZINC001332109724 865583737 /nfs/dbraw/zinc/58/37/37/865583737.db2.gz HCNZJLANVMMEQG-FUHWJXTLSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001332109724 865583745 /nfs/dbraw/zinc/58/37/45/865583745.db2.gz HCNZJLANVMMEQG-FUHWJXTLSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001332109724 865583755 /nfs/dbraw/zinc/58/37/55/865583755.db2.gz HCNZJLANVMMEQG-FUHWJXTLSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001332203052 865662614 /nfs/dbraw/zinc/66/26/14/865662614.db2.gz ZWABHNREHGIKIE-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP CC[NH+](CC)CC(=O)NCCC1=CC[N@@H+](CC#CCOC)CC1 ZINC001161504956 866721440 /nfs/dbraw/zinc/72/14/40/866721440.db2.gz VTCOJRRICPFVTO-UHFFFAOYSA-N 2 1 321.465 1.116 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001321392262 867557072 /nfs/dbraw/zinc/55/70/72/867557072.db2.gz MARRCWDEZYGVQS-BAHPRDJBSA-N 2 1 312.417 1.272 20 30 DDEDMP C=CC[C@@H](CO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324926879 867632487 /nfs/dbraw/zinc/63/24/87/867632487.db2.gz HZTMGVMDMHGDGY-MRXNPFEDSA-N 2 1 321.440 1.852 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940722 868810986 /nfs/dbraw/zinc/81/09/86/868810986.db2.gz PIPURYJPTKKWOE-CVEARBPZSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940722 868811003 /nfs/dbraw/zinc/81/10/03/868811003.db2.gz PIPURYJPTKKWOE-CVEARBPZSA-N 2 1 323.481 1.548 20 30 DDEDMP C[NH+](C)C1(CNc2cc3nc[nH]c3c(C#N)n2)CC[NH+](C)CC1 ZINC001164207514 869013369 /nfs/dbraw/zinc/01/33/69/869013369.db2.gz ZLOWJMBQDQVCJP-UHFFFAOYSA-N 2 1 313.409 1.267 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500703 869237679 /nfs/dbraw/zinc/23/76/79/869237679.db2.gz BSQMBIAOGPOKSK-KRWDZBQOSA-N 2 1 305.466 1.903 20 30 DDEDMP C[C@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001381608792 882310107 /nfs/dbraw/zinc/31/01/07/882310107.db2.gz ZRWFUZQVOQXABB-CYBMUJFWSA-N 2 1 311.389 1.461 20 30 DDEDMP CN(Cc1ccc(C#N)cc1)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001166539579 870049886 /nfs/dbraw/zinc/04/98/86/870049886.db2.gz JGSZTMLZGJVQIT-UHFFFAOYSA-N 2 1 322.416 1.912 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317327283 870651666 /nfs/dbraw/zinc/65/16/66/870651666.db2.gz TYFCKBJCNURRGA-CYBMUJFWSA-N 2 1 306.410 1.364 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001317531183 871008846 /nfs/dbraw/zinc/00/88/46/871008846.db2.gz SBYWOMOSZWKLEI-GOSISDBHSA-N 2 1 313.445 1.428 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC=C)CC1 ZINC001205479169 871574176 /nfs/dbraw/zinc/57/41/76/871574176.db2.gz BWHLWWCQXLBBRL-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC=C)CC1 ZINC001205479169 871574190 /nfs/dbraw/zinc/57/41/90/871574190.db2.gz BWHLWWCQXLBBRL-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317857432 871601779 /nfs/dbraw/zinc/60/17/79/871601779.db2.gz TUTMEMCUORNHQK-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@@H+](CC)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316907896 872314592 /nfs/dbraw/zinc/31/45/92/872314592.db2.gz YYVFQPGKPPDBMV-UHFFFAOYSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001319026930 872403539 /nfs/dbraw/zinc/40/35/39/872403539.db2.gz FTSKPEZJAJSGOD-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001319231153 872512127 /nfs/dbraw/zinc/51/21/27/872512127.db2.gz FBTGGHUPFBPZCL-UKRRQHHQSA-N 2 1 302.422 1.119 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001276494738 872618022 /nfs/dbraw/zinc/61/80/22/872618022.db2.gz YKKYIPCDSSDHIB-WBVHZDCISA-N 2 1 314.433 1.332 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001276494738 872618028 /nfs/dbraw/zinc/61/80/28/872618028.db2.gz YKKYIPCDSSDHIB-WBVHZDCISA-N 2 1 314.433 1.332 20 30 DDEDMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001378165009 874307193 /nfs/dbraw/zinc/30/71/93/874307193.db2.gz LIFMYWSDSNJYEH-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209640365 875027368 /nfs/dbraw/zinc/02/73/68/875027368.db2.gz BKRRDBPZIPVKFB-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001378611462 875227104 /nfs/dbraw/zinc/22/71/04/875227104.db2.gz WPIQGLKHLXWQQS-FZMZJTMJSA-N 2 1 324.856 1.848 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001378611477 875227605 /nfs/dbraw/zinc/22/76/05/875227605.db2.gz WPIQGLKHLXWQQS-SMDDNHRTSA-N 2 1 324.856 1.848 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001379002651 876115339 /nfs/dbraw/zinc/11/53/39/876115339.db2.gz WIAYEBWTHXFZCA-UONOGXRCSA-N 2 1 301.862 1.811 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001276711584 876343872 /nfs/dbraw/zinc/34/38/72/876343872.db2.gz KSURZECPYMBDMX-IRXDYDNUSA-N 2 1 301.434 1.960 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1 ZINC001214878917 876489936 /nfs/dbraw/zinc/48/99/36/876489936.db2.gz IVEAXIIOPJKHMU-ZACQAIPSSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCCF)C1 ZINC001214878917 876489946 /nfs/dbraw/zinc/48/99/46/876489946.db2.gz IVEAXIIOPJKHMU-ZACQAIPSSA-N 2 1 323.456 1.660 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001215381408 876688203 /nfs/dbraw/zinc/68/82/03/876688203.db2.gz WHLMYGQZXIZWJA-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934424 876824061 /nfs/dbraw/zinc/82/40/61/876824061.db2.gz SBTLGHTWUFGALZ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934374 876824773 /nfs/dbraw/zinc/82/47/73/876824773.db2.gz QBMYLTIHLLGBOI-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219002836 877867405 /nfs/dbraw/zinc/86/74/05/877867405.db2.gz FZDRCLUNDJYAPC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220379590 878962362 /nfs/dbraw/zinc/96/23/62/878962362.db2.gz AWKRHVKCVORPEQ-PMPSAXMXSA-N 2 1 313.486 1.458 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001221010196 879441055 /nfs/dbraw/zinc/44/10/55/879441055.db2.gz BFVGCDDAIUAXMN-APWZRJJASA-N 2 1 313.445 1.754 20 30 DDEDMP N#Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1Cl ZINC001222099407 880248417 /nfs/dbraw/zinc/24/84/17/880248417.db2.gz FSGBYBKWCZPLPS-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP COc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)ccc1C#N ZINC001222105283 880259811 /nfs/dbraw/zinc/25/98/11/880259811.db2.gz YSYATMRJFQKIOQ-UHFFFAOYSA-N 2 1 300.406 1.094 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001224153321 881246816 /nfs/dbraw/zinc/24/68/16/881246816.db2.gz KACMMZFMAIHZQE-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230919184 885049422 /nfs/dbraw/zinc/04/94/22/885049422.db2.gz VJMZGVASCPCFGF-QGZVFWFLSA-N 2 1 316.449 1.528 20 30 DDEDMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230919184 885049442 /nfs/dbraw/zinc/04/94/42/885049442.db2.gz VJMZGVASCPCFGF-QGZVFWFLSA-N 2 1 316.449 1.528 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230919184 885049456 /nfs/dbraw/zinc/04/94/56/885049456.db2.gz VJMZGVASCPCFGF-QGZVFWFLSA-N 2 1 316.449 1.528 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001278453028 892693913 /nfs/dbraw/zinc/69/39/13/892693913.db2.gz QESHWFACOLTPCI-WMZOPIPTSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001278453028 892693917 /nfs/dbraw/zinc/69/39/17/892693917.db2.gz QESHWFACOLTPCI-WMZOPIPTSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001278453028 892693921 /nfs/dbraw/zinc/69/39/21/892693921.db2.gz QESHWFACOLTPCI-WMZOPIPTSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001251885362 894866930 /nfs/dbraw/zinc/86/69/30/894866930.db2.gz TZKZBRPYLDYJRJ-QXAKKESOSA-N 2 1 316.445 1.640 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001251885362 894866954 /nfs/dbraw/zinc/86/69/54/894866954.db2.gz TZKZBRPYLDYJRJ-QXAKKESOSA-N 2 1 316.445 1.640 20 30 DDEDMP C=C[C@@](C)(O)C[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001252550684 895265658 /nfs/dbraw/zinc/26/56/58/895265658.db2.gz NRXYRAGYUDXVFQ-QGZVFWFLSA-N 2 1 319.453 1.059 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001278815230 896608620 /nfs/dbraw/zinc/60/86/20/896608620.db2.gz AJJFFKMRVWIGKN-SFHVURJKSA-N 2 1 323.481 1.236 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001262563860 900248676 /nfs/dbraw/zinc/24/86/76/900248676.db2.gz QKMNXSYCFXXLBH-OAHLLOKOSA-N 2 1 300.406 1.818 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391107516 900921686 /nfs/dbraw/zinc/92/16/86/900921686.db2.gz TVRVJVIPRHFYPX-KGLIPLIRSA-N 2 1 301.862 1.763 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391107516 900921699 /nfs/dbraw/zinc/92/16/99/900921699.db2.gz TVRVJVIPRHFYPX-KGLIPLIRSA-N 2 1 301.862 1.763 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001369270317 900928235 /nfs/dbraw/zinc/92/82/35/900928235.db2.gz GGSAXXZZHOGFLS-JSGCOSHPSA-N 2 1 324.856 1.943 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265223270 901735562 /nfs/dbraw/zinc/73/55/62/901735562.db2.gz TXQKVMVFIHUFIU-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001391712269 902419591 /nfs/dbraw/zinc/41/95/91/902419591.db2.gz CTKOWABPYWWOID-DLBZAZTESA-N 2 1 314.433 1.637 20 30 DDEDMP CC#CC[NH2+][C@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001266181077 903072247 /nfs/dbraw/zinc/07/22/47/903072247.db2.gz UNSNTEXHVNFVJE-CQSZACIVSA-N 2 1 311.389 1.389 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001280777275 904019237 /nfs/dbraw/zinc/01/92/37/904019237.db2.gz PUDVDUQRNHHZOS-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)CCC)O2 ZINC001280930839 904200564 /nfs/dbraw/zinc/20/05/64/904200564.db2.gz FEDPQHUIXSHGJC-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001281939204 905328008 /nfs/dbraw/zinc/32/80/08/905328008.db2.gz CGTRGFLQAYHPFP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001281939204 905328026 /nfs/dbraw/zinc/32/80/26/905328026.db2.gz CGTRGFLQAYHPFP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001281939204 905328040 /nfs/dbraw/zinc/32/80/40/905328040.db2.gz CGTRGFLQAYHPFP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)CC#Cc1ccccc1 ZINC001282494030 905824988 /nfs/dbraw/zinc/82/49/88/905824988.db2.gz LAZJPSNYVKREIF-QGZVFWFLSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCOCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001282660956 905926813 /nfs/dbraw/zinc/92/68/13/905926813.db2.gz FUOFXIFETOKWBR-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282660956 905926828 /nfs/dbraw/zinc/92/68/28/905926828.db2.gz FUOFXIFETOKWBR-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282660956 905926845 /nfs/dbraw/zinc/92/68/45/905926845.db2.gz FUOFXIFETOKWBR-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001376734695 919208788 /nfs/dbraw/zinc/20/87/88/919208788.db2.gz VMUVHXNWKCXJFR-JJRVBVJISA-N 2 1 314.433 1.493 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001377452352 921961105 /nfs/dbraw/zinc/96/11/05/921961105.db2.gz LUKWIMKHLVQBPG-CYBMUJFWSA-N 2 1 320.462 1.510 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001377867498 923282035 /nfs/dbraw/zinc/28/20/35/923282035.db2.gz GNLMYKIQFIUPHO-STQMWFEESA-N 2 1 322.478 1.944 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342126082 529823306 /nfs/dbraw/zinc/82/33/06/529823306.db2.gz JPKFXENYQXFHJN-ROUUACIJSA-N 2 1 308.466 1.992 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599385145 357917530 /nfs/dbraw/zinc/91/75/30/357917530.db2.gz HAQPLFDPMDLCNB-JKSUJKDBSA-N 2 1 309.454 1.474 20 30 DDEDMP CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602334400 358935439 /nfs/dbraw/zinc/93/54/39/358935439.db2.gz RFWZNAJCPJDGRT-FUHWJXTLSA-N 2 1 314.433 1.469 20 30 DDEDMP N#CC1CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000602545686 359037005 /nfs/dbraw/zinc/03/70/05/359037005.db2.gz NVOYPTZIVKEFGQ-JCYILVPMSA-N 2 1 306.454 1.065 20 30 DDEDMP Cc1cc(C#N)ccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603233780 359502508 /nfs/dbraw/zinc/50/25/08/359502508.db2.gz ARNVPUGRONBTAR-UHFFFAOYSA-N 2 1 324.432 1.472 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C#N)nc2)CC1 ZINC000609643182 360340429 /nfs/dbraw/zinc/34/04/29/360340429.db2.gz ZSYGRTAAUHNFFW-UHFFFAOYSA-N 2 1 322.372 1.352 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264140037 285003613 /nfs/dbraw/zinc/00/36/13/285003613.db2.gz WBWQLQMUWDVZRF-HNNXBMFYSA-N 2 1 320.437 1.383 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C)CC1 ZINC001120497238 781985406 /nfs/dbraw/zinc/98/54/06/781985406.db2.gz SKIYXNXOHAHBNM-GOSISDBHSA-N 2 1 316.445 1.812 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000271050739 407487350 /nfs/dbraw/zinc/48/73/50/407487350.db2.gz XFMOEAXVXFHGRK-UHFFFAOYSA-N 2 1 316.409 1.169 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000271050739 407487357 /nfs/dbraw/zinc/48/73/57/407487357.db2.gz XFMOEAXVXFHGRK-UHFFFAOYSA-N 2 1 316.409 1.169 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186889786 407791564 /nfs/dbraw/zinc/79/15/64/407791564.db2.gz ZRZZBVVAYOUAEI-MRXNPFEDSA-N 2 1 304.438 1.448 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(C)(C)O)cc1 ZINC000187041842 407816245 /nfs/dbraw/zinc/81/62/45/407816245.db2.gz VLBBTYRRMLMVNW-INIZCTEOSA-N 2 1 318.465 1.803 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000173197590 407868100 /nfs/dbraw/zinc/86/81/00/407868100.db2.gz OXISBGLDEXOQKX-ALOPSCKCSA-N 2 1 320.481 1.951 20 30 DDEDMP CC(C)(C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272897148 408015320 /nfs/dbraw/zinc/01/53/20/408015320.db2.gz JLPMVJNSMGOUTR-HNNXBMFYSA-N 2 1 304.438 1.456 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162458860 408705572 /nfs/dbraw/zinc/70/55/72/408705572.db2.gz UKPVMCPDMQCKOM-YJBOKZPZSA-N 2 1 318.465 1.980 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000293941166 409211921 /nfs/dbraw/zinc/21/19/21/409211921.db2.gz IYVJDVCRLCEEBH-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000293941166 409211924 /nfs/dbraw/zinc/21/19/24/409211924.db2.gz IYVJDVCRLCEEBH-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000293941166 409211928 /nfs/dbraw/zinc/21/19/28/409211928.db2.gz IYVJDVCRLCEEBH-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP CCc1ccc([C@H](O)CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000285184530 409402707 /nfs/dbraw/zinc/40/27/07/409402707.db2.gz UYKQNLLIXVPECF-DLBZAZTESA-N 2 1 318.465 1.671 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000195291190 222196905 /nfs/dbraw/zinc/19/69/05/222196905.db2.gz UIJLHHWGIHMGDH-INIZCTEOSA-N 2 1 302.422 1.155 20 30 DDEDMP C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367402901 418596409 /nfs/dbraw/zinc/59/64/09/418596409.db2.gz MTWRGZQXFUJNPM-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCCCCC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367402901 418596412 /nfs/dbraw/zinc/59/64/12/418596412.db2.gz MTWRGZQXFUJNPM-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C[NH+]=C(NCc1scnc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262020001 222271242 /nfs/dbraw/zinc/27/12/42/222271242.db2.gz YPBADAYIRMMPEG-GXFFZTMASA-N 2 1 307.467 1.599 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOC2(CCC2)C1 ZINC000263025817 222301065 /nfs/dbraw/zinc/30/10/65/222301065.db2.gz APSYBEURFBXWRX-LSDHHAIUSA-N 2 1 308.470 1.724 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264115457 222319326 /nfs/dbraw/zinc/31/93/26/222319326.db2.gz SJTYJDIHORHTLY-BBRMVZONSA-N 2 1 304.438 1.108 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccsc1 ZINC000267436198 222385256 /nfs/dbraw/zinc/38/52/56/222385256.db2.gz NWRSYKDFPDUANZ-DZGCQCFKSA-N 2 1 310.467 1.344 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000368195787 418701937 /nfs/dbraw/zinc/70/19/37/418701937.db2.gz XJXPTJHIVSDKJO-QGZVFWFLSA-N 2 1 306.454 1.374 20 30 DDEDMP C(#CC[N@H+]1CC[C@@]2(CCOC2)C1)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000365292438 418850238 /nfs/dbraw/zinc/85/02/38/418850238.db2.gz RIADKDMEBAPTMW-QZTJIDSGSA-N 2 1 304.434 1.215 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000491119726 421195043 /nfs/dbraw/zinc/19/50/43/421195043.db2.gz JLHVJTQCZIDRSB-LSDHHAIUSA-N 2 1 309.454 1.977 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000491119726 421195045 /nfs/dbraw/zinc/19/50/45/421195045.db2.gz JLHVJTQCZIDRSB-LSDHHAIUSA-N 2 1 309.454 1.977 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000491526483 421198876 /nfs/dbraw/zinc/19/88/76/421198876.db2.gz ZNNLMFVUOPZOBT-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP CC[C@H](CC#N)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000573739115 422005492 /nfs/dbraw/zinc/00/54/92/422005492.db2.gz CNEGUZGHPDWWNW-MRXNPFEDSA-N 2 1 320.481 1.991 20 30 DDEDMP C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000583929398 422220309 /nfs/dbraw/zinc/22/03/09/422220309.db2.gz HAHCLYZAFVRYAE-MRXNPFEDSA-N 2 1 303.406 1.176 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC001120589590 782041325 /nfs/dbraw/zinc/04/13/25/782041325.db2.gz CQKONPDNLIREPU-SFHVURJKSA-N 2 1 304.409 1.806 20 30 DDEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2 ZINC000571291327 333706091 /nfs/dbraw/zinc/70/60/91/333706091.db2.gz VSMKPWBUYYDCBS-HNNXBMFYSA-N 2 1 317.437 1.448 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000491698321 526803193 /nfs/dbraw/zinc/80/31/93/526803193.db2.gz HJCIUBDHDFHCEX-INIZCTEOSA-N 2 1 323.506 1.275 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980188650 696704745 /nfs/dbraw/zinc/70/47/45/696704745.db2.gz NMPXTWCPRXSAOM-BZSNNMDCSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000971789316 695093328 /nfs/dbraw/zinc/09/33/28/695093328.db2.gz KDASBLLJWRJEIG-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974738953 695723339 /nfs/dbraw/zinc/72/33/39/695723339.db2.gz KCWLFVIMQJLBLQ-MRXNPFEDSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC=C)CC2(C)C)CC1 ZINC000977655419 696246166 /nfs/dbraw/zinc/24/61/66/696246166.db2.gz OLAVWMBXEMMAAP-INIZCTEOSA-N 2 1 303.450 1.344 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978143968 696330806 /nfs/dbraw/zinc/33/08/06/696330806.db2.gz KNMTYLURCGBIBC-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978143968 696330808 /nfs/dbraw/zinc/33/08/08/696330808.db2.gz KNMTYLURCGBIBC-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978143968 696330811 /nfs/dbraw/zinc/33/08/11/696330811.db2.gz KNMTYLURCGBIBC-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP CC(C)CCNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000104156907 696618767 /nfs/dbraw/zinc/61/87/67/696618767.db2.gz ILMQBRIVVLALNS-UHFFFAOYSA-N 2 1 318.465 1.969 20 30 DDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000104174687 696619295 /nfs/dbraw/zinc/61/92/95/696619295.db2.gz WYUMGAYWENJTDO-JKSUJKDBSA-N 2 1 309.502 1.307 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980080897 696684760 /nfs/dbraw/zinc/68/47/60/696684760.db2.gz CEWNRHVVRKCNGH-ULQDDVLXSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772154 696910338 /nfs/dbraw/zinc/91/03/38/696910338.db2.gz ONOQQVBJDAYMPZ-QGZVFWFLSA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982119557 697035222 /nfs/dbraw/zinc/03/52/22/697035222.db2.gz BGBARWSOPAJBMM-UHFFFAOYSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332165 697067955 /nfs/dbraw/zinc/06/79/55/697067955.db2.gz RKHSWOWNXPOONZ-SFHVURJKSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981332165 697067957 /nfs/dbraw/zinc/06/79/57/697067957.db2.gz RKHSWOWNXPOONZ-SFHVURJKSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981332165 697067959 /nfs/dbraw/zinc/06/79/59/697067959.db2.gz RKHSWOWNXPOONZ-SFHVURJKSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000981482688 697107911 /nfs/dbraw/zinc/10/79/11/697107911.db2.gz ADPKIZCCQOEGSF-HNNXBMFYSA-N 2 1 300.406 1.003 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000981482688 697107913 /nfs/dbraw/zinc/10/79/13/697107913.db2.gz ADPKIZCCQOEGSF-HNNXBMFYSA-N 2 1 300.406 1.003 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)cc1 ZINC000170905118 697351895 /nfs/dbraw/zinc/35/18/95/697351895.db2.gz VCRMAYCVIBHEKE-HNNXBMFYSA-N 2 1 318.421 1.362 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985470279 697516394 /nfs/dbraw/zinc/51/63/94/697516394.db2.gz OEKBBYRIBJEEMY-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985470279 697516395 /nfs/dbraw/zinc/51/63/95/697516395.db2.gz OEKBBYRIBJEEMY-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000985470279 697516397 /nfs/dbraw/zinc/51/63/97/697516397.db2.gz OEKBBYRIBJEEMY-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602000 697541120 /nfs/dbraw/zinc/54/11/20/697541120.db2.gz BKLVAPQMXRPESA-HNNXBMFYSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602000 697541121 /nfs/dbraw/zinc/54/11/21/697541121.db2.gz BKLVAPQMXRPESA-HNNXBMFYSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602031 697541301 /nfs/dbraw/zinc/54/13/01/697541301.db2.gz BYFWHIKSPCXNHN-OAHLLOKOSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602031 697541303 /nfs/dbraw/zinc/54/13/03/697541303.db2.gz BYFWHIKSPCXNHN-OAHLLOKOSA-N 2 1 314.433 1.310 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000303888894 698609963 /nfs/dbraw/zinc/60/99/63/698609963.db2.gz LPKKIRMHQXEQIT-AWEZNQCLSA-N 2 1 305.382 1.483 20 30 DDEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000304243741 698616239 /nfs/dbraw/zinc/61/62/39/698616239.db2.gz UFWQTMHUMOTNPP-HNNXBMFYSA-N 2 1 317.433 1.914 20 30 DDEDMP CCNC(NCC1([NH+]2CCCCC2)CCN(C)CC1)=[NH+]CC ZINC000304295118 698617830 /nfs/dbraw/zinc/61/78/30/698617830.db2.gz KKJOIWRRLYPDJP-UHFFFAOYSA-N 2 1 309.502 1.512 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000305025362 698627145 /nfs/dbraw/zinc/62/71/45/698627145.db2.gz PFRSGNKVKRGZKX-JKSUJKDBSA-N 3 1 309.502 1.353 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305025362 698627147 /nfs/dbraw/zinc/62/71/47/698627147.db2.gz PFRSGNKVKRGZKX-JKSUJKDBSA-N 3 1 309.502 1.353 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000305025362 698627150 /nfs/dbraw/zinc/62/71/50/698627150.db2.gz PFRSGNKVKRGZKX-JKSUJKDBSA-N 3 1 309.502 1.353 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989670951 698719087 /nfs/dbraw/zinc/71/90/87/698719087.db2.gz NOEMWVXUGWBOJZ-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990788082 699159735 /nfs/dbraw/zinc/15/97/35/699159735.db2.gz GMTHUIOZRKMLGB-XLMAVXFVSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990788082 699159736 /nfs/dbraw/zinc/15/97/36/699159736.db2.gz GMTHUIOZRKMLGB-XLMAVXFVSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990788082 699159738 /nfs/dbraw/zinc/15/97/38/699159738.db2.gz GMTHUIOZRKMLGB-XLMAVXFVSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000743493249 699914973 /nfs/dbraw/zinc/91/49/73/699914973.db2.gz KUNXAYUWHBMIEP-OWCLPIDISA-N 2 1 305.466 1.852 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000879127133 706594153 /nfs/dbraw/zinc/59/41/53/706594153.db2.gz RPTGEAHHSWVTQM-INIZCTEOSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000807261545 701471688 /nfs/dbraw/zinc/47/16/88/701471688.db2.gz DDDCOKDMIRJRJF-SZMVWBNQSA-N 2 1 313.445 1.892 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000807261545 701471689 /nfs/dbraw/zinc/47/16/89/701471689.db2.gz DDDCOKDMIRJRJF-SZMVWBNQSA-N 2 1 313.445 1.892 20 30 DDEDMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664506 706757162 /nfs/dbraw/zinc/75/71/62/706757162.db2.gz FEKQEKNHPKLRNE-GDBMZVCRSA-N 2 1 301.390 1.833 20 30 DDEDMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664506 706757163 /nfs/dbraw/zinc/75/71/63/706757163.db2.gz FEKQEKNHPKLRNE-GDBMZVCRSA-N 2 1 301.390 1.833 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000820079028 704217657 /nfs/dbraw/zinc/21/76/57/704217657.db2.gz COKHNLQIOKOECL-ZSYWTGECSA-N 2 1 323.440 1.331 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000820079028 704217659 /nfs/dbraw/zinc/21/76/59/704217659.db2.gz COKHNLQIOKOECL-ZSYWTGECSA-N 2 1 323.440 1.331 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000820079028 704217661 /nfs/dbraw/zinc/21/76/61/704217661.db2.gz COKHNLQIOKOECL-ZSYWTGECSA-N 2 1 323.440 1.331 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000820079028 704217664 /nfs/dbraw/zinc/21/76/64/704217664.db2.gz COKHNLQIOKOECL-ZSYWTGECSA-N 2 1 323.440 1.331 20 30 DDEDMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876973609 705944384 /nfs/dbraw/zinc/94/43/84/705944384.db2.gz LTVXIZPVPIZUNM-NVXWUHKLSA-N 2 1 312.417 1.346 20 30 DDEDMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876973609 705944386 /nfs/dbraw/zinc/94/43/86/705944386.db2.gz LTVXIZPVPIZUNM-NVXWUHKLSA-N 2 1 312.417 1.346 20 30 DDEDMP C[C@H](O)C[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)C[C@H](C)O)c1 ZINC000878129282 706302433 /nfs/dbraw/zinc/30/24/33/706302433.db2.gz MRRHGUOIGLPSMN-KBPBESRZSA-N 2 1 305.422 1.183 20 30 DDEDMP C#CCNC(=O)CC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880254947 706922044 /nfs/dbraw/zinc/92/20/44/706922044.db2.gz UITBCESHFWSXEE-UHFFFAOYSA-N 2 1 305.466 1.856 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000838086426 707836496 /nfs/dbraw/zinc/83/64/96/707836496.db2.gz ILINHJJFZZSAJK-UHFFFAOYSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000838086426 707836500 /nfs/dbraw/zinc/83/65/00/707836500.db2.gz ILINHJJFZZSAJK-UHFFFAOYSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000838086426 707836504 /nfs/dbraw/zinc/83/65/04/707836504.db2.gz ILINHJJFZZSAJK-UHFFFAOYSA-N 2 1 308.470 1.505 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884210764 708191894 /nfs/dbraw/zinc/19/18/94/708191894.db2.gz IZELOCOOCDBTLS-DGNOSDGRSA-N 2 1 304.438 1.116 20 30 DDEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884316284 708240620 /nfs/dbraw/zinc/24/06/20/708240620.db2.gz OETDPQJGLJRWNG-XTCFQUFBSA-N 2 1 316.449 1.068 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000884410875 708285426 /nfs/dbraw/zinc/28/54/26/708285426.db2.gz VNRPODIYGGEZLR-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000884410875 708285429 /nfs/dbraw/zinc/28/54/29/708285429.db2.gz VNRPODIYGGEZLR-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000884410875 708285432 /nfs/dbraw/zinc/28/54/32/708285432.db2.gz VNRPODIYGGEZLR-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000884410875 708285435 /nfs/dbraw/zinc/28/54/35/708285435.db2.gz VNRPODIYGGEZLR-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000928101498 713131267 /nfs/dbraw/zinc/13/12/67/713131267.db2.gz YSPOXMVQCCCHNL-JKSUJKDBSA-N 2 1 321.490 1.028 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000890373477 709844824 /nfs/dbraw/zinc/84/48/24/709844824.db2.gz VATRJPOKQHVQJZ-DLBZAZTESA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000890373477 709844830 /nfs/dbraw/zinc/84/48/30/709844830.db2.gz VATRJPOKQHVQJZ-DLBZAZTESA-N 2 1 318.465 1.354 20 30 DDEDMP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000903454333 711131978 /nfs/dbraw/zinc/13/19/78/711131978.db2.gz YCDQTYSYCJWOFY-INIZCTEOSA-N 2 1 304.825 1.691 20 30 DDEDMP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000903454333 711131981 /nfs/dbraw/zinc/13/19/81/711131981.db2.gz YCDQTYSYCJWOFY-INIZCTEOSA-N 2 1 304.825 1.691 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000923188430 714265355 /nfs/dbraw/zinc/26/53/55/714265355.db2.gz BLTJGEBVFQMKGS-OAHLLOKOSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@H+](CCC)C1)C1CC[NH+](C)CC1 ZINC000923320827 714312381 /nfs/dbraw/zinc/31/23/81/714312381.db2.gz FYHKZFGHRNTWFY-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896347 717014350 /nfs/dbraw/zinc/01/43/50/717014350.db2.gz UYTROKVVZKOVJA-INIZCTEOSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000962271990 717382634 /nfs/dbraw/zinc/38/26/34/717382634.db2.gz OXKGWCOMHTVJIQ-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962271990 717382637 /nfs/dbraw/zinc/38/26/37/717382637.db2.gz OXKGWCOMHTVJIQ-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962271990 717382640 /nfs/dbraw/zinc/38/26/40/717382640.db2.gz OXKGWCOMHTVJIQ-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000965063082 717523193 /nfs/dbraw/zinc/52/31/93/717523193.db2.gz JTNZVYIGVJIVGL-XOGYLQAWSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942208791 717549392 /nfs/dbraw/zinc/54/93/92/717549392.db2.gz RTQGDONXGQGZFW-DZGCQCFKSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942208791 717549395 /nfs/dbraw/zinc/54/93/95/717549395.db2.gz RTQGDONXGQGZFW-DZGCQCFKSA-N 2 1 318.421 1.200 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256341 717580568 /nfs/dbraw/zinc/58/05/68/717580568.db2.gz DMJVFNQOCNBPGE-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000965925094 717818194 /nfs/dbraw/zinc/81/81/94/717818194.db2.gz IYFAEQZHROHOTC-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000965925094 717818196 /nfs/dbraw/zinc/81/81/96/717818196.db2.gz IYFAEQZHROHOTC-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)C[C@@H]2C)CC1 ZINC000945178195 718415060 /nfs/dbraw/zinc/41/50/60/718415060.db2.gz FHKSXXVKXJWUJG-RDJZCZTQSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](C(C)C)C[C@H]2CC1 ZINC000946628574 718857786 /nfs/dbraw/zinc/85/77/86/718857786.db2.gz YWEWFBISARQUCH-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946628574 718857789 /nfs/dbraw/zinc/85/77/89/718857789.db2.gz YWEWFBISARQUCH-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C(C)C)C[C@H]2CC1 ZINC000946628574 718857793 /nfs/dbraw/zinc/85/77/93/718857793.db2.gz YWEWFBISARQUCH-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C(C)C)C[C@H]2CC1 ZINC000946628574 718857797 /nfs/dbraw/zinc/85/77/97/718857797.db2.gz YWEWFBISARQUCH-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC=C)C[C@H]2CC1 ZINC000946628439 718857985 /nfs/dbraw/zinc/85/79/85/718857985.db2.gz QGWWKCAOYRGSNZ-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC=C)C[C@H]2CC1 ZINC000946628439 718857990 /nfs/dbraw/zinc/85/79/90/718857990.db2.gz QGWWKCAOYRGSNZ-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC=C)C[C@H]2CC1 ZINC000946628439 718857994 /nfs/dbraw/zinc/85/79/94/718857994.db2.gz QGWWKCAOYRGSNZ-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC=C)C[C@H]2CC1 ZINC000946628439 718857999 /nfs/dbraw/zinc/85/79/99/718857999.db2.gz QGWWKCAOYRGSNZ-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726198 719255012 /nfs/dbraw/zinc/25/50/12/719255012.db2.gz KFYYLBLISZUFFH-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726198 719255013 /nfs/dbraw/zinc/25/50/13/719255013.db2.gz KFYYLBLISZUFFH-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947726198 719255017 /nfs/dbraw/zinc/25/50/17/719255017.db2.gz KFYYLBLISZUFFH-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948071578 719350389 /nfs/dbraw/zinc/35/03/89/719350389.db2.gz ZAOUHAZVIQCOBH-NVXWUHKLSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968855917 719825800 /nfs/dbraw/zinc/82/58/00/719825800.db2.gz BZSJPZPJVMDVEZ-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855917 719825804 /nfs/dbraw/zinc/82/58/04/719825804.db2.gz BZSJPZPJVMDVEZ-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855917 719825809 /nfs/dbraw/zinc/82/58/09/719825809.db2.gz BZSJPZPJVMDVEZ-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968881917 719839410 /nfs/dbraw/zinc/83/94/10/719839410.db2.gz BWDVMCLINNHOGA-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968881917 719839417 /nfs/dbraw/zinc/83/94/17/719839417.db2.gz BWDVMCLINNHOGA-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968881917 719839424 /nfs/dbraw/zinc/83/94/24/719839424.db2.gz BWDVMCLINNHOGA-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969834344 720525951 /nfs/dbraw/zinc/52/59/51/720525951.db2.gz XYAFWIZDPKWIKN-HZPDHXFCSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420038 720754536 /nfs/dbraw/zinc/75/45/36/720754536.db2.gz JWEAGQUMCUYVFD-HIFRSBDPSA-N 2 1 314.433 1.214 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000970712829 720903413 /nfs/dbraw/zinc/90/34/13/720903413.db2.gz UABWTAAVUARLLV-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577543 738425421 /nfs/dbraw/zinc/42/54/21/738425421.db2.gz NFJGFNZJXCHOGH-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577543 738425423 /nfs/dbraw/zinc/42/54/23/738425423.db2.gz NFJGFNZJXCHOGH-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529779 738661579 /nfs/dbraw/zinc/66/15/79/738661579.db2.gz OVCVKPNHFCFXDP-AOIWGVFYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001021285873 733107706 /nfs/dbraw/zinc/10/77/06/733107706.db2.gz UXEMDKMBDPJNBI-FBVQUNGASA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001021285873 733107707 /nfs/dbraw/zinc/10/77/07/733107707.db2.gz UXEMDKMBDPJNBI-FBVQUNGASA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001021285873 733107708 /nfs/dbraw/zinc/10/77/08/733107708.db2.gz UXEMDKMBDPJNBI-FBVQUNGASA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001021285873 733107710 /nfs/dbraw/zinc/10/77/10/733107710.db2.gz UXEMDKMBDPJNBI-FBVQUNGASA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021636309 733391037 /nfs/dbraw/zinc/39/10/37/733391037.db2.gz OXKMKTIHCMJZJY-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636309 733391040 /nfs/dbraw/zinc/39/10/40/733391040.db2.gz OXKMKTIHCMJZJY-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193524 782402903 /nfs/dbraw/zinc/40/29/03/782402903.db2.gz DNXIDFJUCYUSFT-APUKJBRXSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514684 736733986 /nfs/dbraw/zinc/73/39/86/736733986.db2.gz DHEXWIPOCYGZRP-LSDHHAIUSA-N 2 1 317.433 1.805 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020026377 736981410 /nfs/dbraw/zinc/98/14/10/736981410.db2.gz RDTSKPPLYCKQMT-BRWVUGGUSA-N 2 1 312.417 1.389 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038366679 737438561 /nfs/dbraw/zinc/43/85/61/737438561.db2.gz IHGPFNAJCXKVMJ-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C=CCN1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008541861 737824001 /nfs/dbraw/zinc/82/40/01/737824001.db2.gz SDSMTZOGQFFNFI-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008541861 737824005 /nfs/dbraw/zinc/82/40/05/737824005.db2.gz SDSMTZOGQFFNFI-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008541861 737824013 /nfs/dbraw/zinc/82/40/13/737824013.db2.gz SDSMTZOGQFFNFI-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008541861 737824016 /nfs/dbraw/zinc/82/40/16/737824016.db2.gz SDSMTZOGQFFNFI-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001027494122 738350210 /nfs/dbraw/zinc/35/02/10/738350210.db2.gz VLMOIDGXKDPDDV-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001027494122 738350213 /nfs/dbraw/zinc/35/02/13/738350213.db2.gz VLMOIDGXKDPDDV-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099982 739035261 /nfs/dbraw/zinc/03/52/61/739035261.db2.gz DFKSXVUPNAMOEQ-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099982 739035264 /nfs/dbraw/zinc/03/52/64/739035264.db2.gz DFKSXVUPNAMOEQ-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254106 739239078 /nfs/dbraw/zinc/23/90/78/739239078.db2.gz NPSMJXMQRSKSFY-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001028334218 739370007 /nfs/dbraw/zinc/37/00/07/739370007.db2.gz XXLXSFBHKNHXAO-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573930 739671862 /nfs/dbraw/zinc/67/18/62/739671862.db2.gz XNLSXBLIBOEANF-AWEZNQCLSA-N 2 1 319.474 1.885 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766382 740010920 /nfs/dbraw/zinc/01/09/20/740010920.db2.gz QUHYOQOSNMSCCY-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766382 740010923 /nfs/dbraw/zinc/01/09/23/740010923.db2.gz QUHYOQOSNMSCCY-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918722 740174101 /nfs/dbraw/zinc/17/41/01/740174101.db2.gz MAVYSICMUXFPKK-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918722 740174104 /nfs/dbraw/zinc/17/41/04/740174104.db2.gz MAVYSICMUXFPKK-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918722 740174107 /nfs/dbraw/zinc/17/41/07/740174107.db2.gz MAVYSICMUXFPKK-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077179 741000846 /nfs/dbraw/zinc/00/08/46/741000846.db2.gz MRYLYFDNBRYDIM-SQNIBIBYSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077179 741000849 /nfs/dbraw/zinc/00/08/49/741000849.db2.gz MRYLYFDNBRYDIM-SQNIBIBYSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077179 741000852 /nfs/dbraw/zinc/00/08/52/741000852.db2.gz MRYLYFDNBRYDIM-SQNIBIBYSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001088327689 741391538 /nfs/dbraw/zinc/39/15/38/741391538.db2.gz UMAGZKMJCWWVOB-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107982174 751647955 /nfs/dbraw/zinc/64/79/55/751647955.db2.gz QLVCEDOSSOTHSR-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107982174 751647958 /nfs/dbraw/zinc/64/79/58/751647958.db2.gz QLVCEDOSSOTHSR-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982174 751647962 /nfs/dbraw/zinc/64/79/62/751647962.db2.gz QLVCEDOSSOTHSR-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982174 751647965 /nfs/dbraw/zinc/64/79/65/751647965.db2.gz QLVCEDOSSOTHSR-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047782 742247388 /nfs/dbraw/zinc/24/73/88/742247388.db2.gz SKFJARNFHGQVED-KCPJHIHWSA-N 2 1 313.873 1.763 20 30 DDEDMP C=C(Cl)CN1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242539 742622253 /nfs/dbraw/zinc/62/22/53/742622253.db2.gz IWCDBWJIZMJEMG-AEGPPILISA-N 2 1 311.857 1.613 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717492 751804488 /nfs/dbraw/zinc/80/44/88/751804488.db2.gz KJUIPPIXOALLKT-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001016335517 743481481 /nfs/dbraw/zinc/48/14/81/743481481.db2.gz DJSGWLYVKMLFRE-GOEBONIOSA-N 2 1 309.429 1.270 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC#CCOC)C1 ZINC001183082251 743771572 /nfs/dbraw/zinc/77/15/72/743771572.db2.gz QIKUCRLPQDPDPP-SJLPKXTDSA-N 2 1 323.481 1.052 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183267852 743812704 /nfs/dbraw/zinc/81/27/04/743812704.db2.gz OTCQIPOWGJFNEK-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035796401 751883696 /nfs/dbraw/zinc/88/36/96/751883696.db2.gz BQZVJRWFWQLLEV-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184692760 744081519 /nfs/dbraw/zinc/08/15/19/744081519.db2.gz JAPXZJJXASGIKG-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185294520 744199872 /nfs/dbraw/zinc/19/98/72/744199872.db2.gz QLHBLPIDJYQIJR-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001185446772 744225044 /nfs/dbraw/zinc/22/50/44/744225044.db2.gz OPRHVYWBGIFXRI-SJORKVTESA-N 2 1 323.481 1.052 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185659118 744265098 /nfs/dbraw/zinc/26/50/98/744265098.db2.gz DLBFLCXGSYHNRW-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CC12CCOCC2 ZINC001186545195 744418566 /nfs/dbraw/zinc/41/85/66/744418566.db2.gz LDXLKWFVQGBJAJ-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992194822 744678265 /nfs/dbraw/zinc/67/82/65/744678265.db2.gz YADDOJXATJQUJU-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992194822 744678268 /nfs/dbraw/zinc/67/82/68/744678268.db2.gz YADDOJXATJQUJU-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188314073 744688243 /nfs/dbraw/zinc/68/82/43/744688243.db2.gz FTNBZKXWMNHBOU-ARFHVFGLSA-N 2 1 309.454 1.062 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC)CC3)CC1 ZINC000992505035 744924828 /nfs/dbraw/zinc/92/48/28/744924828.db2.gz HIWAUIBOBTWMMO-MJGOQNOKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190247998 745160712 /nfs/dbraw/zinc/16/07/12/745160712.db2.gz VXLIRUPSDJQKPF-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190247998 745160714 /nfs/dbraw/zinc/16/07/14/745160714.db2.gz VXLIRUPSDJQKPF-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249477 745459963 /nfs/dbraw/zinc/45/99/63/745459963.db2.gz IWYRJLLPFTYIDM-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249787 745461431 /nfs/dbraw/zinc/46/14/31/745461431.db2.gz QAARTNOQSQCSPP-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249852 745464065 /nfs/dbraw/zinc/46/40/65/745464065.db2.gz SSQPSAAZMUBMQU-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989341 745658853 /nfs/dbraw/zinc/65/88/53/745658853.db2.gz TYSSMDMPUMYDNS-HNNXBMFYSA-N 2 1 303.406 1.511 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106582341 745811913 /nfs/dbraw/zinc/81/19/13/745811913.db2.gz AZOJJBPNBOKMTL-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099236449 745813563 /nfs/dbraw/zinc/81/35/63/745813563.db2.gz ZNJDOSRZVNNVGR-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236449 745813567 /nfs/dbraw/zinc/81/35/67/745813567.db2.gz ZNJDOSRZVNNVGR-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236449 745813571 /nfs/dbraw/zinc/81/35/71/745813571.db2.gz ZNJDOSRZVNNVGR-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192859091 745919049 /nfs/dbraw/zinc/91/90/49/745919049.db2.gz VLMLOQMHFUHBDF-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192859091 745919050 /nfs/dbraw/zinc/91/90/50/745919050.db2.gz VLMLOQMHFUHBDF-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535288 746201982 /nfs/dbraw/zinc/20/19/82/746201982.db2.gz IUILWGOIHWEQNN-PBHICJAKSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273779 746313069 /nfs/dbraw/zinc/31/30/69/746313069.db2.gz AFLPJTXZRCTBOS-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273779 746313075 /nfs/dbraw/zinc/31/30/75/746313075.db2.gz AFLPJTXZRCTBOS-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449587 746374957 /nfs/dbraw/zinc/37/49/57/746374957.db2.gz UXRWLGJWRHZRPL-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449587 746374963 /nfs/dbraw/zinc/37/49/63/746374963.db2.gz UXRWLGJWRHZRPL-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449587 746374969 /nfs/dbraw/zinc/37/49/69/746374969.db2.gz UXRWLGJWRHZRPL-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449587 746374977 /nfs/dbraw/zinc/37/49/77/746374977.db2.gz UXRWLGJWRHZRPL-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416818 746835167 /nfs/dbraw/zinc/83/51/67/746835167.db2.gz QMNKVEQBBMJBIJ-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416818 746835173 /nfs/dbraw/zinc/83/51/73/746835173.db2.gz QMNKVEQBBMJBIJ-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416818 746835180 /nfs/dbraw/zinc/83/51/80/746835180.db2.gz QMNKVEQBBMJBIJ-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC(C)(C)C1 ZINC001089416818 746835188 /nfs/dbraw/zinc/83/51/88/746835188.db2.gz QMNKVEQBBMJBIJ-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638531 746919213 /nfs/dbraw/zinc/91/92/13/746919213.db2.gz VFQMYRNROXUFFK-USXIJHARSA-N 2 1 323.481 1.234 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496665 752173610 /nfs/dbraw/zinc/17/36/10/752173610.db2.gz QRFKZWNEZKYNRF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496665 752173612 /nfs/dbraw/zinc/17/36/12/752173612.db2.gz QRFKZWNEZKYNRF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007496665 752173621 /nfs/dbraw/zinc/17/36/21/752173621.db2.gz QRFKZWNEZKYNRF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007496665 752173628 /nfs/dbraw/zinc/17/36/28/752173628.db2.gz QRFKZWNEZKYNRF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212253687 747389646 /nfs/dbraw/zinc/38/96/46/747389646.db2.gz IMRABPGPMVWWEG-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212253687 747389651 /nfs/dbraw/zinc/38/96/51/747389651.db2.gz IMRABPGPMVWWEG-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212253687 747389655 /nfs/dbraw/zinc/38/96/55/747389655.db2.gz IMRABPGPMVWWEG-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnc[nH]1 ZINC001089818562 747958768 /nfs/dbraw/zinc/95/87/68/747958768.db2.gz BBMBEZMUWKIIJK-SVGFKBNWSA-N 2 1 314.433 1.697 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCc1cnc[nH]1 ZINC001089818562 747958774 /nfs/dbraw/zinc/95/87/74/747958774.db2.gz BBMBEZMUWKIIJK-SVGFKBNWSA-N 2 1 314.433 1.697 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199944317 748046371 /nfs/dbraw/zinc/04/63/71/748046371.db2.gz XCRABBSWVCFMHK-HOCLYGCPSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944317 748046379 /nfs/dbraw/zinc/04/63/79/748046379.db2.gz XCRABBSWVCFMHK-HOCLYGCPSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200578541 748284393 /nfs/dbraw/zinc/28/43/93/748284393.db2.gz WMBPDCFXTGOVBK-DOTOQJQBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044546 748407082 /nfs/dbraw/zinc/40/70/82/748407082.db2.gz ZASVCBZYRXZNJE-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001124872870 748578506 /nfs/dbraw/zinc/57/85/06/748578506.db2.gz OGXMSPNJLDTQEU-MRXNPFEDSA-N 2 1 319.836 1.492 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191902 749423517 /nfs/dbraw/zinc/42/35/17/749423517.db2.gz WMEVSVLLCGBLGO-HUUCEWRRSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191902 749423522 /nfs/dbraw/zinc/42/35/22/749423522.db2.gz WMEVSVLLCGBLGO-HUUCEWRRSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108343519 761958644 /nfs/dbraw/zinc/95/86/44/761958644.db2.gz UIWUJTFVOGXRGK-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343519 761958648 /nfs/dbraw/zinc/95/86/48/761958648.db2.gz UIWUJTFVOGXRGK-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343519 761958651 /nfs/dbraw/zinc/95/86/51/761958651.db2.gz UIWUJTFVOGXRGK-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001033684658 749714321 /nfs/dbraw/zinc/71/43/21/749714321.db2.gz PQLCMEAPHYYBPC-QGZVFWFLSA-N 2 1 303.450 1.440 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039380508 761980841 /nfs/dbraw/zinc/98/08/41/761980841.db2.gz UJPNWARYOIOYLU-VSZNYVQBSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380508 761980847 /nfs/dbraw/zinc/98/08/47/761980847.db2.gz UJPNWARYOIOYLU-VSZNYVQBSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380508 761980854 /nfs/dbraw/zinc/98/08/54/761980854.db2.gz UJPNWARYOIOYLU-VSZNYVQBSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426435 750046792 /nfs/dbraw/zinc/04/67/92/750046792.db2.gz TWIGVJYRHMTJJJ-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786355 750073635 /nfs/dbraw/zinc/07/36/35/750073635.db2.gz YJTVYGBOZQHOPY-CVEARBPZSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001034046102 750312031 /nfs/dbraw/zinc/31/20/31/750312031.db2.gz PYKGPPFERLXUEY-KRWDZBQOSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001034754116 750806264 /nfs/dbraw/zinc/80/62/64/750806264.db2.gz SGHKRVFEUJUWGI-QBPKDAKJSA-N 2 1 303.450 1.654 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035226024 751303589 /nfs/dbraw/zinc/30/35/89/751303589.db2.gz DHTFHHNVGSYDLK-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035226024 751303596 /nfs/dbraw/zinc/30/35/96/751303596.db2.gz DHTFHHNVGSYDLK-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035226024 751303603 /nfs/dbraw/zinc/30/36/03/751303603.db2.gz DHTFHHNVGSYDLK-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001009629141 753289140 /nfs/dbraw/zinc/28/91/40/753289140.db2.gz RIJMWRMWLJQGPK-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107996637 753385084 /nfs/dbraw/zinc/38/50/84/753385084.db2.gz DBKDUOVOGAXBAF-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996637 753385086 /nfs/dbraw/zinc/38/50/86/753385086.db2.gz DBKDUOVOGAXBAF-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996637 753385088 /nfs/dbraw/zinc/38/50/88/753385088.db2.gz DBKDUOVOGAXBAF-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001108007063 753493236 /nfs/dbraw/zinc/49/32/36/753493236.db2.gz LKUXUSKLHBUEGW-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108007063 753493242 /nfs/dbraw/zinc/49/32/42/753493242.db2.gz LKUXUSKLHBUEGW-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007063 753493246 /nfs/dbraw/zinc/49/32/46/753493246.db2.gz LKUXUSKLHBUEGW-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007063 753493251 /nfs/dbraw/zinc/49/32/51/753493251.db2.gz LKUXUSKLHBUEGW-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000841136 762253306 /nfs/dbraw/zinc/25/33/06/762253306.db2.gz LKWKANVIPBXTIO-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000841136 762253310 /nfs/dbraw/zinc/25/33/10/762253310.db2.gz LKWKANVIPBXTIO-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000841136 762253314 /nfs/dbraw/zinc/25/33/14/762253314.db2.gz LKWKANVIPBXTIO-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621708 756420896 /nfs/dbraw/zinc/42/08/96/756420896.db2.gz JPMVYUUPRBNTTH-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621708 756420898 /nfs/dbraw/zinc/42/08/98/756420898.db2.gz JPMVYUUPRBNTTH-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263997 762466801 /nfs/dbraw/zinc/46/68/01/762466801.db2.gz KQHOFKHVBGYIKN-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263997 762466805 /nfs/dbraw/zinc/46/68/05/762466805.db2.gz KQHOFKHVBGYIKN-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263997 762466807 /nfs/dbraw/zinc/46/68/07/762466807.db2.gz KQHOFKHVBGYIKN-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133945 756648138 /nfs/dbraw/zinc/64/81/38/756648138.db2.gz VRNFBFIJQHFDHJ-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133945 756648140 /nfs/dbraw/zinc/64/81/40/756648140.db2.gz VRNFBFIJQHFDHJ-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001082133945 756648144 /nfs/dbraw/zinc/64/81/44/756648144.db2.gz VRNFBFIJQHFDHJ-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219256 756989306 /nfs/dbraw/zinc/98/93/06/756989306.db2.gz YHVBLHFNKRUSRP-BDXSIMOUSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219256 756989312 /nfs/dbraw/zinc/98/93/12/756989312.db2.gz YHVBLHFNKRUSRP-BDXSIMOUSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097219256 756989321 /nfs/dbraw/zinc/98/93/21/756989321.db2.gz YHVBLHFNKRUSRP-BDXSIMOUSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097219256 756989331 /nfs/dbraw/zinc/98/93/31/756989331.db2.gz YHVBLHFNKRUSRP-BDXSIMOUSA-N 2 1 315.461 1.748 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396538 762523764 /nfs/dbraw/zinc/52/37/64/762523764.db2.gz VFSZIAJFICLCKB-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396538 762523769 /nfs/dbraw/zinc/52/37/69/762523769.db2.gz VFSZIAJFICLCKB-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396538 762523775 /nfs/dbraw/zinc/52/37/75/762523775.db2.gz VFSZIAJFICLCKB-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016662078 757246414 /nfs/dbraw/zinc/24/64/14/757246414.db2.gz HSPDPXUFQOMKQI-LSDHHAIUSA-N 2 1 314.433 1.917 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016987636 757533238 /nfs/dbraw/zinc/53/32/38/757533238.db2.gz YASWBJRALZCOKD-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084445328 757602797 /nfs/dbraw/zinc/60/27/97/757602797.db2.gz YUBSBJAJGMLOAM-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664210 757747859 /nfs/dbraw/zinc/74/78/59/757747859.db2.gz LJSXAILPFVLBAK-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664210 757747862 /nfs/dbraw/zinc/74/78/62/757747862.db2.gz LJSXAILPFVLBAK-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664210 757747865 /nfs/dbraw/zinc/74/78/65/757747865.db2.gz LJSXAILPFVLBAK-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040526951 762577901 /nfs/dbraw/zinc/57/79/01/762577901.db2.gz DDCXOTDUBSLTSR-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040526951 762577910 /nfs/dbraw/zinc/57/79/10/762577910.db2.gz DDCXOTDUBSLTSR-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040526951 762577917 /nfs/dbraw/zinc/57/79/17/762577917.db2.gz DDCXOTDUBSLTSR-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040530135 762579713 /nfs/dbraw/zinc/57/97/13/762579713.db2.gz UTNIXYWOWXBYLQ-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040530135 762579716 /nfs/dbraw/zinc/57/97/16/762579716.db2.gz UTNIXYWOWXBYLQ-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040530135 762579721 /nfs/dbraw/zinc/57/97/21/762579721.db2.gz UTNIXYWOWXBYLQ-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852325 757979217 /nfs/dbraw/zinc/97/92/17/757979217.db2.gz SQGFVMHEWDQHFU-SJLPKXTDSA-N 2 1 311.429 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC001084852325 757979220 /nfs/dbraw/zinc/97/92/20/757979220.db2.gz SQGFVMHEWDQHFU-SJLPKXTDSA-N 2 1 311.429 1.528 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC=C)CC2)CC1 ZINC001052955047 758003886 /nfs/dbraw/zinc/00/38/86/758003886.db2.gz XVVYWSVOXFQJNC-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085093368 758229834 /nfs/dbraw/zinc/22/98/34/758229834.db2.gz VOVXXKGDXGMMOO-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093368 758229842 /nfs/dbraw/zinc/22/98/42/758229842.db2.gz VOVXXKGDXGMMOO-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093368 758229848 /nfs/dbraw/zinc/22/98/48/758229848.db2.gz VOVXXKGDXGMMOO-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018628930 759048399 /nfs/dbraw/zinc/04/83/99/759048399.db2.gz TXLVQCPJIIUENZ-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134411 759209443 /nfs/dbraw/zinc/20/94/43/759209443.db2.gz CERJINIJUGGABJ-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134411 759209449 /nfs/dbraw/zinc/20/94/49/759209449.db2.gz CERJINIJUGGABJ-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134411 759209453 /nfs/dbraw/zinc/20/94/53/759209453.db2.gz CERJINIJUGGABJ-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054146255 759224861 /nfs/dbraw/zinc/22/48/61/759224861.db2.gz BHTSYSCSPZPQRM-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054146255 759224868 /nfs/dbraw/zinc/22/48/68/759224868.db2.gz BHTSYSCSPZPQRM-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001054146255 759224871 /nfs/dbraw/zinc/22/48/71/759224871.db2.gz BHTSYSCSPZPQRM-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001054146255 759224874 /nfs/dbraw/zinc/22/48/74/759224874.db2.gz BHTSYSCSPZPQRM-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153637 759235532 /nfs/dbraw/zinc/23/55/32/759235532.db2.gz VHKNVDNDIOZDBS-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153637 759235534 /nfs/dbraw/zinc/23/55/34/759235534.db2.gz VHKNVDNDIOZDBS-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153637 759235538 /nfs/dbraw/zinc/23/55/38/759235538.db2.gz VHKNVDNDIOZDBS-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054196999 759282096 /nfs/dbraw/zinc/28/20/96/759282096.db2.gz QTFOAGYETYOCQF-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196999 759282100 /nfs/dbraw/zinc/28/21/00/759282100.db2.gz QTFOAGYETYOCQF-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196999 759282108 /nfs/dbraw/zinc/28/21/08/759282108.db2.gz QTFOAGYETYOCQF-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974576 760320478 /nfs/dbraw/zinc/32/04/78/760320478.db2.gz REANEBRXFVHQOD-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974576 760320488 /nfs/dbraw/zinc/32/04/88/760320488.db2.gz REANEBRXFVHQOD-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974576 760320495 /nfs/dbraw/zinc/32/04/95/760320495.db2.gz REANEBRXFVHQOD-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974576 760320507 /nfs/dbraw/zinc/32/05/07/760320507.db2.gz REANEBRXFVHQOD-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046852850 767985048 /nfs/dbraw/zinc/98/50/48/767985048.db2.gz QILIXOIOJUYXSV-LJQANCHMSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC(=C)C)CC1 ZINC001039041922 761682199 /nfs/dbraw/zinc/68/21/99/761682199.db2.gz JPHUSCFFEZWMOG-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001001467731 762890392 /nfs/dbraw/zinc/89/03/92/762890392.db2.gz MYPDZZOJCBTUTP-UHFFFAOYSA-N 2 1 311.429 1.743 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC(C)C)CC2)CC1 ZINC001001471190 762892789 /nfs/dbraw/zinc/89/27/89/762892789.db2.gz GFSVEDBILLIECJ-UHFFFAOYSA-N 2 1 317.477 1.736 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001001523621 762936512 /nfs/dbraw/zinc/93/65/12/762936512.db2.gz VKQIYSNDKLHIRP-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050130128 763185052 /nfs/dbraw/zinc/18/50/52/763185052.db2.gz NFVANNVEOGYHGD-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201386 763312063 /nfs/dbraw/zinc/31/20/63/763312063.db2.gz FPOIUHLIIGNQBI-RRFJBIMHSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050201386 763312073 /nfs/dbraw/zinc/31/20/73/763312073.db2.gz FPOIUHLIIGNQBI-RRFJBIMHSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050201386 763312082 /nfs/dbraw/zinc/31/20/82/763312082.db2.gz FPOIUHLIIGNQBI-RRFJBIMHSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050201386 763312091 /nfs/dbraw/zinc/31/20/91/763312091.db2.gz FPOIUHLIIGNQBI-RRFJBIMHSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788981 763333495 /nfs/dbraw/zinc/33/34/95/763333495.db2.gz KXXDGHNYZJGNHD-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835892 763390905 /nfs/dbraw/zinc/39/09/05/763390905.db2.gz XRDKUMRHFSAUOA-SJLPKXTDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169991633 763543798 /nfs/dbraw/zinc/54/37/98/763543798.db2.gz PFNJGLFDBHZSMS-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169991633 763543806 /nfs/dbraw/zinc/54/38/06/763543806.db2.gz PFNJGLFDBHZSMS-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042115018 763669177 /nfs/dbraw/zinc/66/91/77/763669177.db2.gz QDXYADVTXKVPMR-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050519874 763698469 /nfs/dbraw/zinc/69/84/69/763698469.db2.gz LKJGPKOGLUTEHY-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992758 768176286 /nfs/dbraw/zinc/17/62/86/768176286.db2.gz BYJJLWNKQXSGIH-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992758 768176287 /nfs/dbraw/zinc/17/62/87/768176287.db2.gz BYJJLWNKQXSGIH-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046992758 768176290 /nfs/dbraw/zinc/17/62/90/768176290.db2.gz BYJJLWNKQXSGIH-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046992758 768176292 /nfs/dbraw/zinc/17/62/92/768176292.db2.gz BYJJLWNKQXSGIH-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001042741405 764405844 /nfs/dbraw/zinc/40/58/44/764405844.db2.gz OLACKWDGISBCCE-UHFFFAOYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001112854896 764882873 /nfs/dbraw/zinc/88/28/73/764882873.db2.gz BOQMLEMYRZLDRQ-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052387063 765781354 /nfs/dbraw/zinc/78/13/54/765781354.db2.gz WSCRPVNRKYXYIL-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515190 765908139 /nfs/dbraw/zinc/90/81/39/765908139.db2.gz AYWVWPRHATVUAJ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515190 765908146 /nfs/dbraw/zinc/90/81/46/765908146.db2.gz AYWVWPRHATVUAJ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515190 765908152 /nfs/dbraw/zinc/90/81/52/765908152.db2.gz AYWVWPRHATVUAJ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045584591 766419700 /nfs/dbraw/zinc/41/97/00/766419700.db2.gz HZKOCSKQJVMMKU-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585867 766420759 /nfs/dbraw/zinc/42/07/59/766420759.db2.gz XIFZCCKHFIQWKE-IRXDYDNUSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1C ZINC001132127758 768639728 /nfs/dbraw/zinc/63/97/28/768639728.db2.gz CPZCSAIVRCGENF-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133121050 769512907 /nfs/dbraw/zinc/51/29/07/769512907.db2.gz DBUWFFKFQXUACC-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857554 769997830 /nfs/dbraw/zinc/99/78/30/769997830.db2.gz ICJIYHOHFNJKJP-OKZBNKHCSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857554 769997835 /nfs/dbraw/zinc/99/78/35/769997835.db2.gz ICJIYHOHFNJKJP-OKZBNKHCSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857554 769997841 /nfs/dbraw/zinc/99/78/41/769997841.db2.gz ICJIYHOHFNJKJP-OKZBNKHCSA-N 2 1 319.493 1.931 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048861324 770002815 /nfs/dbraw/zinc/00/28/15/770002815.db2.gz KWMUBQKOPRKXOY-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861324 770002826 /nfs/dbraw/zinc/00/28/26/770002826.db2.gz KWMUBQKOPRKXOY-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861324 770002840 /nfs/dbraw/zinc/00/28/40/770002840.db2.gz KWMUBQKOPRKXOY-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888136 770052862 /nfs/dbraw/zinc/05/28/62/770052862.db2.gz IPLYJJOPKNDCSP-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888136 770052872 /nfs/dbraw/zinc/05/28/72/770052872.db2.gz IPLYJJOPKNDCSP-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888136 770052883 /nfs/dbraw/zinc/05/28/83/770052883.db2.gz IPLYJJOPKNDCSP-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1C ZINC001071890377 770235972 /nfs/dbraw/zinc/23/59/72/770235972.db2.gz KTXHRSLCKHSHSW-HOCLYGCPSA-N 2 1 319.453 1.213 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001133854155 770341090 /nfs/dbraw/zinc/34/10/90/770341090.db2.gz ZBEFVSKTJVFTRH-CQSZACIVSA-N 2 1 300.406 1.106 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107446 770390123 /nfs/dbraw/zinc/39/01/23/770390123.db2.gz JVTZGENRECUUNZ-YYIAUSFCSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107446 770390131 /nfs/dbraw/zinc/39/01/31/770390131.db2.gz JVTZGENRECUUNZ-YYIAUSFCSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107446 770390141 /nfs/dbraw/zinc/39/01/41/770390141.db2.gz JVTZGENRECUUNZ-YYIAUSFCSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049231875 770576576 /nfs/dbraw/zinc/57/65/76/770576576.db2.gz NLUPUVIHLJOFSW-VQHPVUNQSA-N 2 1 303.450 1.273 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090518375 770892732 /nfs/dbraw/zinc/89/27/32/770892732.db2.gz CMNBJUULOVSUGH-GJZGRUSLSA-N 2 1 321.421 1.082 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049475718 770903351 /nfs/dbraw/zinc/90/33/51/770903351.db2.gz AQRKBPJARGNBLT-GVDBMIGSSA-N 2 1 303.450 1.580 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049536811 770997387 /nfs/dbraw/zinc/99/73/87/770997387.db2.gz OLKCRMYRMKXEAX-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049536811 770997392 /nfs/dbraw/zinc/99/73/92/770997392.db2.gz OLKCRMYRMKXEAX-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049536811 770997395 /nfs/dbraw/zinc/99/73/95/770997395.db2.gz OLKCRMYRMKXEAX-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049720655 771113850 /nfs/dbraw/zinc/11/38/50/771113850.db2.gz SBIHHAOBTRVZIT-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049720655 771113851 /nfs/dbraw/zinc/11/38/51/771113851.db2.gz SBIHHAOBTRVZIT-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049720655 771113853 /nfs/dbraw/zinc/11/38/53/771113853.db2.gz SBIHHAOBTRVZIT-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049919774 771260911 /nfs/dbraw/zinc/26/09/11/771260911.db2.gz PNKDDXUVIPAPCV-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919774 771260915 /nfs/dbraw/zinc/26/09/15/771260915.db2.gz PNKDDXUVIPAPCV-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919774 771260917 /nfs/dbraw/zinc/26/09/17/771260917.db2.gz PNKDDXUVIPAPCV-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049919694 771261582 /nfs/dbraw/zinc/26/15/82/771261582.db2.gz PJDBLKGVQIRFGB-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919694 771261587 /nfs/dbraw/zinc/26/15/87/771261587.db2.gz PJDBLKGVQIRFGB-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919694 771261592 /nfs/dbraw/zinc/26/15/92/771261592.db2.gz PJDBLKGVQIRFGB-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135624802 771618885 /nfs/dbraw/zinc/61/88/85/771618885.db2.gz CBFIZLPMVSPMCV-GJZGRUSLSA-N 2 1 304.438 1.903 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170867768 771785673 /nfs/dbraw/zinc/78/56/73/771785673.db2.gz MLNKARWREHBRLD-KRWDZBQOSA-N 2 1 301.434 1.799 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001171219131 772612885 /nfs/dbraw/zinc/61/28/85/772612885.db2.gz UEVRXLIEOXEYIY-KRWDZBQOSA-N 2 1 314.433 1.496 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001148286183 773433286 /nfs/dbraw/zinc/43/32/86/773433286.db2.gz URDJJOOYCWBUFJ-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148286183 773433288 /nfs/dbraw/zinc/43/32/88/773433288.db2.gz URDJJOOYCWBUFJ-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148286183 773433290 /nfs/dbraw/zinc/43/32/90/773433290.db2.gz URDJJOOYCWBUFJ-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCOCC3)C2)C1 ZINC001148445432 773488348 /nfs/dbraw/zinc/48/83/48/773488348.db2.gz QPQPCLDYBKGLLD-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCOCC3)C2)C1 ZINC001148445432 773488352 /nfs/dbraw/zinc/48/83/52/773488352.db2.gz QPQPCLDYBKGLLD-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758829 773626210 /nfs/dbraw/zinc/62/62/10/773626210.db2.gz NBKGEGCNLNFVQB-RYRKJORJSA-N 2 1 305.466 1.376 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956207 773744252 /nfs/dbraw/zinc/74/42/52/773744252.db2.gz HKFUCLZHWZDTMH-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093093803 774408264 /nfs/dbraw/zinc/40/82/64/774408264.db2.gz RJIVYDVOYDRPOS-NVXWUHKLSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629333 776354295 /nfs/dbraw/zinc/35/42/95/776354295.db2.gz LKHXBUBNAOTJGI-CYBMUJFWSA-N 2 1 308.426 1.800 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001171757265 776446658 /nfs/dbraw/zinc/44/66/58/776446658.db2.gz HCOOZXKLRQXTPT-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001101035844 776843360 /nfs/dbraw/zinc/84/33/60/776843360.db2.gz BDBNSIFWZCUIAT-OFLPRAFFSA-N 2 1 323.481 1.548 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101483867 777166764 /nfs/dbraw/zinc/16/67/64/777166764.db2.gz LXBPVFDEALQKSV-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174912906 777632234 /nfs/dbraw/zinc/63/22/34/777632234.db2.gz HGTMRGGCFMQSNZ-IRXDYDNUSA-N 2 1 323.481 1.384 20 30 DDEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174912906 777632242 /nfs/dbraw/zinc/63/22/42/777632242.db2.gz HGTMRGGCFMQSNZ-IRXDYDNUSA-N 2 1 323.481 1.384 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102045037 777828330 /nfs/dbraw/zinc/82/83/30/777828330.db2.gz PGTGGDFMUGXSST-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045037 777828339 /nfs/dbraw/zinc/82/83/39/777828339.db2.gz PGTGGDFMUGXSST-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045037 777828345 /nfs/dbraw/zinc/82/83/45/777828345.db2.gz PGTGGDFMUGXSST-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001177463046 778598577 /nfs/dbraw/zinc/59/85/77/778598577.db2.gz LRAUUQGFOLDPOM-GOSISDBHSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103088120 778630302 /nfs/dbraw/zinc/63/03/02/778630302.db2.gz WEJYSVHEXCXSKR-OIISXLGYSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103088695 778630456 /nfs/dbraw/zinc/63/04/56/778630456.db2.gz OGTQNYINUJYKHE-OIISXLGYSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001179081200 779279099 /nfs/dbraw/zinc/27/90/99/779279099.db2.gz XPZOIARREQEUME-UPTPFMHGSA-N 2 1 321.465 1.302 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179539092 779412394 /nfs/dbraw/zinc/41/23/94/779412394.db2.gz OGOIDGLBZBARFC-QRTARXTBSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179538405 779412459 /nfs/dbraw/zinc/41/24/59/779412459.db2.gz CMKFTFDLOHYOBS-LXZKKBNFSA-N 2 1 314.433 1.356 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198261 779645996 /nfs/dbraw/zinc/64/59/96/779645996.db2.gz LIJUILDGUHAUGP-CHWSQXEVSA-N 2 1 321.387 1.883 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212198 779648286 /nfs/dbraw/zinc/64/82/86/779648286.db2.gz RZWHTFVMBSWYLX-CHWSQXEVSA-N 2 1 321.387 1.882 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266325146 836123399 /nfs/dbraw/zinc/12/33/99/836123399.db2.gz KPPKRVJRQYAISM-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487124 836335685 /nfs/dbraw/zinc/33/56/85/836335685.db2.gz UHBVLNRXQYTGBN-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487124 836335693 /nfs/dbraw/zinc/33/56/93/836335693.db2.gz UHBVLNRXQYTGBN-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001266616006 836540302 /nfs/dbraw/zinc/54/03/02/836540302.db2.gz YHCXHLUNIKTCPQ-UHFFFAOYSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CC[N@@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001266616006 836540308 /nfs/dbraw/zinc/54/03/08/836540308.db2.gz YHCXHLUNIKTCPQ-UHFFFAOYSA-N 2 1 311.389 1.648 20 30 DDEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266858663 836950510 /nfs/dbraw/zinc/95/05/10/836950510.db2.gz VCMVNSSNFDSZJV-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266858663 836950523 /nfs/dbraw/zinc/95/05/23/836950523.db2.gz VCMVNSSNFDSZJV-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267487983 838168222 /nfs/dbraw/zinc/16/82/22/838168222.db2.gz HXYGBHPXCHSECL-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267487983 838168226 /nfs/dbraw/zinc/16/82/26/838168226.db2.gz HXYGBHPXCHSECL-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267585366 838368517 /nfs/dbraw/zinc/36/85/17/838368517.db2.gz UIJGLGJAKMWCKM-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC#CCOC)C1 ZINC001267593272 838387951 /nfs/dbraw/zinc/38/79/51/838387951.db2.gz HBPJWJNYRMZVMJ-KRWDZBQOSA-N 2 1 323.481 1.148 20 30 DDEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC#CCOC)C1 ZINC001267593272 838387956 /nfs/dbraw/zinc/38/79/56/838387956.db2.gz HBPJWJNYRMZVMJ-KRWDZBQOSA-N 2 1 323.481 1.148 20 30 DDEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC#CCOC)C1 ZINC001267593272 838387966 /nfs/dbraw/zinc/38/79/66/838387966.db2.gz HBPJWJNYRMZVMJ-KRWDZBQOSA-N 2 1 323.481 1.148 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001267605180 838426342 /nfs/dbraw/zinc/42/63/42/838426342.db2.gz NHYAVYSXZNIYOB-QGZVFWFLSA-N 2 1 305.466 1.714 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001268027829 839436286 /nfs/dbraw/zinc/43/62/86/839436286.db2.gz UOBCNYKNBPAHTR-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001268027829 839436294 /nfs/dbraw/zinc/43/62/94/839436294.db2.gz UOBCNYKNBPAHTR-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001268027829 839436300 /nfs/dbraw/zinc/43/63/00/839436300.db2.gz UOBCNYKNBPAHTR-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001272887222 847595098 /nfs/dbraw/zinc/59/50/98/847595098.db2.gz AAMUJKRNLYBICV-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001005518456 848068690 /nfs/dbraw/zinc/06/86/90/848068690.db2.gz LDKWFEDAHQAXCL-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001005518456 848068696 /nfs/dbraw/zinc/06/86/96/848068696.db2.gz LDKWFEDAHQAXCL-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001273145652 848577959 /nfs/dbraw/zinc/57/79/59/848577959.db2.gz XSENKWALAOHUIM-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001327539753 862251584 /nfs/dbraw/zinc/25/15/84/862251584.db2.gz DYKKIZBRXPKSST-LJQANCHMSA-N 2 1 317.477 1.810 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001274578114 852410405 /nfs/dbraw/zinc/41/04/05/852410405.db2.gz FFXVUTWFLPXTTD-WAYWQWQTSA-N 2 1 322.412 1.505 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150780149 862465217 /nfs/dbraw/zinc/46/52/17/862465217.db2.gz ZIOBEXBSXRUZRZ-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275975524 854055280 /nfs/dbraw/zinc/05/52/80/854055280.db2.gz HVBZNMWHEQLBLX-HDICACEKSA-N 2 1 300.450 1.940 20 30 DDEDMP C#CCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275975524 854055289 /nfs/dbraw/zinc/05/52/89/854055289.db2.gz HVBZNMWHEQLBLX-HDICACEKSA-N 2 1 300.450 1.940 20 30 DDEDMP C#CCCC[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275975524 854055296 /nfs/dbraw/zinc/05/52/96/854055296.db2.gz HVBZNMWHEQLBLX-HDICACEKSA-N 2 1 300.450 1.940 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072729347 857644951 /nfs/dbraw/zinc/64/49/51/857644951.db2.gz YIOHZKLJMUYFET-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072729347 857644958 /nfs/dbraw/zinc/64/49/58/857644958.db2.gz YIOHZKLJMUYFET-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072729347 857644966 /nfs/dbraw/zinc/64/49/66/857644966.db2.gz YIOHZKLJMUYFET-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072735422 857654288 /nfs/dbraw/zinc/65/42/88/857654288.db2.gz AZCGHCMFSLJWRF-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](F)CC)C2 ZINC001072822341 857757959 /nfs/dbraw/zinc/75/79/59/857757959.db2.gz CACSHXBTLFRURX-CVEARBPZSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](F)CC)C2 ZINC001072822341 857757966 /nfs/dbraw/zinc/75/79/66/857757966.db2.gz CACSHXBTLFRURX-CVEARBPZSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](F)CC)C2 ZINC001072822341 857757974 /nfs/dbraw/zinc/75/79/74/857757974.db2.gz CACSHXBTLFRURX-CVEARBPZSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](F)CC)C2 ZINC001072822341 857757977 /nfs/dbraw/zinc/75/79/77/857757977.db2.gz CACSHXBTLFRURX-CVEARBPZSA-N 2 1 321.440 1.366 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001072983420 857967661 /nfs/dbraw/zinc/96/76/61/857967661.db2.gz VZRPDIBZZVMLBP-GOSISDBHSA-N 2 1 323.456 1.919 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983420 857967667 /nfs/dbraw/zinc/96/76/67/857967667.db2.gz VZRPDIBZZVMLBP-GOSISDBHSA-N 2 1 323.456 1.919 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983420 857967671 /nfs/dbraw/zinc/96/76/71/857967671.db2.gz VZRPDIBZZVMLBP-GOSISDBHSA-N 2 1 323.456 1.919 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033535 858026697 /nfs/dbraw/zinc/02/66/97/858026697.db2.gz NQVYTIUETSQCRV-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033535 858026702 /nfs/dbraw/zinc/02/67/02/858026702.db2.gz NQVYTIUETSQCRV-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033535 858026704 /nfs/dbraw/zinc/02/67/04/858026704.db2.gz NQVYTIUETSQCRV-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCc1cccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1O ZINC001138628097 860148571 /nfs/dbraw/zinc/14/85/71/860148571.db2.gz NGTVEHHXRRTIHK-UHFFFAOYSA-N 2 1 303.450 1.800 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001325854337 860889647 /nfs/dbraw/zinc/88/96/47/860889647.db2.gz ZUQMQWNWNZJKGR-AEFFLSMTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001325854337 860889652 /nfs/dbraw/zinc/88/96/52/860889652.db2.gz ZUQMQWNWNZJKGR-AEFFLSMTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001325854337 860889660 /nfs/dbraw/zinc/88/96/60/860889660.db2.gz ZUQMQWNWNZJKGR-AEFFLSMTSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276405777 863328932 /nfs/dbraw/zinc/32/89/32/863328932.db2.gz RVMUZUIHFZEDFV-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001329954084 863970788 /nfs/dbraw/zinc/97/07/88/863970788.db2.gz QZKIUJYVIKVBPF-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC001330891573 864682676 /nfs/dbraw/zinc/68/26/76/864682676.db2.gz VCCSQYKAILNZAT-UPTPFMHGSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC001330891573 864682684 /nfs/dbraw/zinc/68/26/84/864682684.db2.gz VCCSQYKAILNZAT-UPTPFMHGSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158611565 864758235 /nfs/dbraw/zinc/75/82/35/864758235.db2.gz JMLBGBREFCDCOF-QGZVFWFLSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001158611565 864758241 /nfs/dbraw/zinc/75/82/41/864758241.db2.gz JMLBGBREFCDCOF-QGZVFWFLSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC=C)CC1 ZINC001158913971 864973214 /nfs/dbraw/zinc/97/32/14/864973214.db2.gz IGDPRMJVNZNZDX-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225436048 881831679 /nfs/dbraw/zinc/83/16/79/881831679.db2.gz WBBABEMPHBNLJH-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159925068 865597826 /nfs/dbraw/zinc/59/78/26/865597826.db2.gz OIRVDTQMUOMNSS-AWEZNQCLSA-N 2 1 306.410 1.059 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC#CC)CC1 ZINC001160385944 865807669 /nfs/dbraw/zinc/80/76/69/865807669.db2.gz DJPFVXASMDYDRC-SFHVURJKSA-N 2 1 313.445 1.246 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC#CC)CC1 ZINC001160385944 865807673 /nfs/dbraw/zinc/80/76/73/865807673.db2.gz DJPFVXASMDYDRC-SFHVURJKSA-N 2 1 313.445 1.246 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC#CC)CC1 ZINC001160385944 865807677 /nfs/dbraw/zinc/80/76/77/865807677.db2.gz DJPFVXASMDYDRC-SFHVURJKSA-N 2 1 313.445 1.246 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC#CC)CC1 ZINC001160385944 865807682 /nfs/dbraw/zinc/80/76/82/865807682.db2.gz DJPFVXASMDYDRC-SFHVURJKSA-N 2 1 313.445 1.246 20 30 DDEDMP N#Cc1cc2c(nc1N[C@]1(C[NH3+])C[NH+]3CCC1CC3)CCCC2 ZINC001160520277 865907834 /nfs/dbraw/zinc/90/78/34/865907834.db2.gz QACRJFCXDBBKIX-GOSISDBHSA-N 2 1 311.433 1.667 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161205299 866442177 /nfs/dbraw/zinc/44/21/77/866442177.db2.gz CMOAECYANQMWNS-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161205299 866442178 /nfs/dbraw/zinc/44/21/78/866442178.db2.gz CMOAECYANQMWNS-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161205299 866442179 /nfs/dbraw/zinc/44/21/79/866442179.db2.gz CMOAECYANQMWNS-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001324087844 867061114 /nfs/dbraw/zinc/06/11/14/867061114.db2.gz JPYVOAGYUFGRLG-GDBMZVCRSA-N 2 1 302.422 1.574 20 30 DDEDMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCC=C)CC1 ZINC001324441274 867280080 /nfs/dbraw/zinc/28/00/80/867280080.db2.gz MEOJWOJSFBMJRM-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH2+]C/C=C\CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001321251571 867438478 /nfs/dbraw/zinc/43/84/78/867438478.db2.gz RRMCZLPCGXGHLS-PLNGDYQASA-N 2 1 316.405 1.169 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@@H](C)C2)(COC)CC1 ZINC001162481630 867566695 /nfs/dbraw/zinc/56/66/95/867566695.db2.gz CMCALYPDEFWJEY-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001324935323 867641085 /nfs/dbraw/zinc/64/10/85/867641085.db2.gz CUFWRURSNYAKJB-MJGOQNOKSA-N 2 1 317.477 1.570 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162628625 867690683 /nfs/dbraw/zinc/69/06/83/867690683.db2.gz YMTDLRDBIFZTPK-UHFFFAOYSA-N 2 1 315.215 1.196 20 30 DDEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001322666781 868314091 /nfs/dbraw/zinc/31/40/91/868314091.db2.gz FGUMPNAHTBEEQN-CQSZACIVSA-N 2 1 324.856 1.945 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485409 869616644 /nfs/dbraw/zinc/61/66/44/869616644.db2.gz VAHHWGOOVJYUEE-OAHLLOKOSA-N 2 1 314.433 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001165545198 869636211 /nfs/dbraw/zinc/63/62/11/869636211.db2.gz FOVLUZHWTWVYAS-KRWDZBQOSA-N 2 1 317.477 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC2CC2)CC1 ZINC001165545198 869636217 /nfs/dbraw/zinc/63/62/17/869636217.db2.gz FOVLUZHWTWVYAS-KRWDZBQOSA-N 2 1 317.477 1.760 20 30 DDEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001317028940 870136934 /nfs/dbraw/zinc/13/69/34/870136934.db2.gz NGRDBRXLRSHIHC-YJBOKZPZSA-N 2 1 323.456 1.707 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317384138 870749735 /nfs/dbraw/zinc/74/97/35/870749735.db2.gz LAWJKZXITDXWOR-INIZCTEOSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317384138 870749743 /nfs/dbraw/zinc/74/97/43/870749743.db2.gz LAWJKZXITDXWOR-INIZCTEOSA-N 2 1 311.470 1.452 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317422246 870799725 /nfs/dbraw/zinc/79/97/25/870799725.db2.gz GWEMZHQEVLUCBL-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317422246 870799735 /nfs/dbraw/zinc/79/97/35/870799735.db2.gz GWEMZHQEVLUCBL-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317422246 870799748 /nfs/dbraw/zinc/79/97/48/870799748.db2.gz GWEMZHQEVLUCBL-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001317685915 871408585 /nfs/dbraw/zinc/40/85/85/871408585.db2.gz MKBICWAXQVAUQR-CABCVRRESA-N 2 1 316.449 1.828 20 30 DDEDMP C#CCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001317869941 871607956 /nfs/dbraw/zinc/60/79/56/871607956.db2.gz JHTRHSOJLHZWRW-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001317869941 871607972 /nfs/dbraw/zinc/60/79/72/871607972.db2.gz JHTRHSOJLHZWRW-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001317869941 871607986 /nfs/dbraw/zinc/60/79/86/871607986.db2.gz JHTRHSOJLHZWRW-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001316758425 871996628 /nfs/dbraw/zinc/99/66/28/871996628.db2.gz BZLVZGPNZSYHTD-SJORKVTESA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206031194 872006374 /nfs/dbraw/zinc/00/63/74/872006374.db2.gz PJOFRWPNVKKFED-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001316923388 872379089 /nfs/dbraw/zinc/37/90/89/872379089.db2.gz GHPMBXFMHXZXPP-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001316923388 872379108 /nfs/dbraw/zinc/37/91/08/872379108.db2.gz GHPMBXFMHXZXPP-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001316923388 872379130 /nfs/dbraw/zinc/37/91/30/872379130.db2.gz GHPMBXFMHXZXPP-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC/C=C/CC ZINC001319471496 872650032 /nfs/dbraw/zinc/65/00/32/872650032.db2.gz CWYVRNQEZGHDQZ-PWHGLLLSSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC/C=C/CC ZINC001319471496 872650038 /nfs/dbraw/zinc/65/00/38/872650038.db2.gz CWYVRNQEZGHDQZ-PWHGLLLSSA-N 2 1 305.466 1.877 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001226781765 882647293 /nfs/dbraw/zinc/64/72/93/882647293.db2.gz AOCLOHWLROYDTK-BZUAXINKSA-N 2 1 319.453 1.016 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001226889746 882704862 /nfs/dbraw/zinc/70/48/62/882704862.db2.gz BLUTXDWJSWDSQI-GVDBMIGSSA-N 2 1 305.466 1.901 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492868 874189384 /nfs/dbraw/zinc/18/93/84/874189384.db2.gz RTBZFCGHUPVXGQ-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C=CCCCC[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209201011 874726958 /nfs/dbraw/zinc/72/69/58/874726958.db2.gz STOGFWYZILPZDN-UHFFFAOYSA-N 2 1 320.437 1.680 20 30 DDEDMP C=CCCCC[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001209201011 874726961 /nfs/dbraw/zinc/72/69/61/874726961.db2.gz STOGFWYZILPZDN-UHFFFAOYSA-N 2 1 320.437 1.680 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC001353110367 877126312 /nfs/dbraw/zinc/12/63/12/877126312.db2.gz QQCUENONXFEYKP-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC001353110367 877126318 /nfs/dbraw/zinc/12/63/18/877126318.db2.gz QQCUENONXFEYKP-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)NCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001219668920 878447055 /nfs/dbraw/zinc/44/70/55/878447055.db2.gz FDQRLMZJGMARDF-IBGZPJMESA-N 2 1 313.445 1.408 20 30 DDEDMP C=CCOc1ccccc1[C@H](C)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220663949 879168137 /nfs/dbraw/zinc/16/81/37/879168137.db2.gz SDOCLCBMOSTVAZ-AWEZNQCLSA-N 2 1 317.433 1.770 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220868458 879332993 /nfs/dbraw/zinc/33/29/93/879332993.db2.gz KLDJQRYCLDTNDV-XYJFISCASA-N 2 1 321.465 1.302 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)CC[NH+](CC)CC)C1 ZINC001357836946 880219345 /nfs/dbraw/zinc/21/93/45/880219345.db2.gz KHLKGHYIMNMTQS-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CC[NH+](CC)CC)C1 ZINC001357836946 880219366 /nfs/dbraw/zinc/21/93/66/880219366.db2.gz KHLKGHYIMNMTQS-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224128975 881231441 /nfs/dbraw/zinc/23/14/41/881231441.db2.gz BMTVLKQQANPHIE-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224128975 881231454 /nfs/dbraw/zinc/23/14/54/881231454.db2.gz BMTVLKQQANPHIE-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224128975 881231467 /nfs/dbraw/zinc/23/14/67/881231467.db2.gz BMTVLKQQANPHIE-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)CCc2cnc[nH]2)CC1 ZINC001227715019 883143496 /nfs/dbraw/zinc/14/34/96/883143496.db2.gz OKYZVGOZSZNNJU-UHFFFAOYSA-N 2 1 306.410 1.126 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001227900612 883222652 /nfs/dbraw/zinc/22/26/52/883222652.db2.gz WSAMTODKNADJKW-AWEZNQCLSA-N 2 1 301.862 1.906 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001230035879 884293032 /nfs/dbraw/zinc/29/30/32/884293032.db2.gz XWSBWLPVDGCKOL-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618967 884659734 /nfs/dbraw/zinc/65/97/34/884659734.db2.gz UHBBXSGLILECSF-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618967 884659739 /nfs/dbraw/zinc/65/97/39/884659739.db2.gz UHBBXSGLILECSF-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618967 884659747 /nfs/dbraw/zinc/65/97/47/884659747.db2.gz UHBBXSGLILECSF-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277684724 886480581 /nfs/dbraw/zinc/48/05/81/886480581.db2.gz OKDUAFSEWJNMNL-DOTOQJQBSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001277865807 888104378 /nfs/dbraw/zinc/10/43/78/888104378.db2.gz JCSDEFHGJJUBPP-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235411901 888627135 /nfs/dbraw/zinc/62/71/35/888627135.db2.gz YNXALDHRJWNDHX-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235411901 888627142 /nfs/dbraw/zinc/62/71/42/888627142.db2.gz YNXALDHRJWNDHX-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235411901 888627154 /nfs/dbraw/zinc/62/71/54/888627154.db2.gz YNXALDHRJWNDHX-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235411901 888627168 /nfs/dbraw/zinc/62/71/68/888627168.db2.gz YNXALDHRJWNDHX-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](C(C)C)CC1 ZINC001278151426 889872086 /nfs/dbraw/zinc/87/20/86/889872086.db2.gz QNMRTCVHVNNINK-NVXWUHKLSA-N 2 1 305.466 1.661 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246303109 892526593 /nfs/dbraw/zinc/52/65/93/892526593.db2.gz GWUHVJMFSORKDE-XYJFISCASA-N 3 1 323.481 1.725 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC[NH+](CCC)CC1 ZINC001246303100 892526673 /nfs/dbraw/zinc/52/66/73/892526673.db2.gz GVSYJAOTVQMHTI-INIZCTEOSA-N 3 1 311.470 1.677 20 30 DDEDMP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246306099 892528487 /nfs/dbraw/zinc/52/84/87/892528487.db2.gz UBISWAFPZIIYBW-FZKCQIBNSA-N 3 1 309.454 1.428 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246306099 892528490 /nfs/dbraw/zinc/52/84/90/892528490.db2.gz UBISWAFPZIIYBW-FZKCQIBNSA-N 3 1 309.454 1.428 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246306099 892528493 /nfs/dbraw/zinc/52/84/93/892528493.db2.gz UBISWAFPZIIYBW-FZKCQIBNSA-N 3 1 309.454 1.428 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001278493858 893384541 /nfs/dbraw/zinc/38/45/41/893384541.db2.gz MLFBACIBZPPSSF-GVDBMIGSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001278663499 895114468 /nfs/dbraw/zinc/11/44/68/895114468.db2.gz MAGJXYXHIJATHF-FUHWJXTLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001278663499 895114482 /nfs/dbraw/zinc/11/44/82/895114482.db2.gz MAGJXYXHIJATHF-FUHWJXTLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](C(C)C)C1 ZINC001278663499 895114493 /nfs/dbraw/zinc/11/44/93/895114493.db2.gz MAGJXYXHIJATHF-FUHWJXTLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](C(C)C)C1 ZINC001278663499 895114503 /nfs/dbraw/zinc/11/45/03/895114503.db2.gz MAGJXYXHIJATHF-FUHWJXTLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001278978509 897640059 /nfs/dbraw/zinc/64/00/59/897640059.db2.gz JXYKQHSFQZPAFU-JKSUJKDBSA-N 2 1 307.482 1.861 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001264077293 900914564 /nfs/dbraw/zinc/91/45/64/900914564.db2.gz XLHMXZXTLNJMDB-HZPDHXFCSA-N 2 1 311.470 1.188 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001264421366 901108834 /nfs/dbraw/zinc/10/88/34/901108834.db2.gz FHCCVRSJJYMQGD-BZUAXINKSA-N 2 1 316.449 1.904 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001264424848 901112244 /nfs/dbraw/zinc/11/22/44/901112244.db2.gz WRDOMCQOLFHPET-QAETUUGQSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001264424850 901112715 /nfs/dbraw/zinc/11/27/15/901112715.db2.gz WRDOMCQOLFHPET-VQHPVUNQSA-N 2 1 303.450 1.511 20 30 DDEDMP CC#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001264635529 901235901 /nfs/dbraw/zinc/23/59/01/901235901.db2.gz DOYSLGMVRFJYJS-KRWDZBQOSA-N 2 1 323.481 1.027 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265233696 901755794 /nfs/dbraw/zinc/75/57/94/901755794.db2.gz ZGDRPOQVGWWXTI-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC ZINC001265673468 902285035 /nfs/dbraw/zinc/28/50/35/902285035.db2.gz GHKVCXHHEKXYFE-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC ZINC001265673468 902285045 /nfs/dbraw/zinc/28/50/45/902285045.db2.gz GHKVCXHHEKXYFE-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266102659 902947072 /nfs/dbraw/zinc/94/70/72/902947072.db2.gz LZLDWQIAZVRWOB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266102659 902947086 /nfs/dbraw/zinc/94/70/86/902947086.db2.gz LZLDWQIAZVRWOB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266102659 902947105 /nfs/dbraw/zinc/94/71/05/902947105.db2.gz LZLDWQIAZVRWOB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nocc1C ZINC001266153109 903032568 /nfs/dbraw/zinc/03/25/68/903032568.db2.gz YAMZHVLKSMURPR-ZBFHGGJFSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1nocc1C ZINC001266153109 903032579 /nfs/dbraw/zinc/03/25/79/903032579.db2.gz YAMZHVLKSMURPR-ZBFHGGJFSA-N 2 1 318.421 1.065 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001281139392 904464364 /nfs/dbraw/zinc/46/43/64/904464364.db2.gz YOIXFIXVFUOZGQ-AEFFLSMTSA-N 2 1 323.481 1.380 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C#N)ccn2)CC1 ZINC000598810827 357733238 /nfs/dbraw/zinc/73/32/38/357733238.db2.gz QZOABMLJLJQFPN-UHFFFAOYSA-N 2 1 322.372 1.352 20 30 DDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000599320204 357891585 /nfs/dbraw/zinc/89/15/85/357891585.db2.gz RDPLSAITMRAQFA-IKGGRYGDSA-N 2 1 321.465 1.474 20 30 DDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000599320204 357891589 /nfs/dbraw/zinc/89/15/89/357891589.db2.gz RDPLSAITMRAQFA-IKGGRYGDSA-N 2 1 321.465 1.474 20 30 DDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000599320204 357891594 /nfs/dbraw/zinc/89/15/94/357891594.db2.gz RDPLSAITMRAQFA-IKGGRYGDSA-N 2 1 321.465 1.474 20 30 DDEDMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599326736 357894520 /nfs/dbraw/zinc/89/45/20/357894520.db2.gz NTNVLKBVSZFZJA-MRXNPFEDSA-N 2 1 309.454 1.520 20 30 DDEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112151 359409876 /nfs/dbraw/zinc/40/98/76/359409876.db2.gz UACMMQVRELXLSZ-UHFFFAOYSA-N 2 1 310.442 1.196 20 30 DDEDMP C#CC[N@@H+](CC)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267336193 407839771 /nfs/dbraw/zinc/83/97/71/407839771.db2.gz RMEXUQVJXVKBCV-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+](CC)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267336193 407839777 /nfs/dbraw/zinc/83/97/77/407839777.db2.gz RMEXUQVJXVKBCV-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+](CC)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267336193 407839782 /nfs/dbraw/zinc/83/97/82/407839782.db2.gz RMEXUQVJXVKBCV-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+](CC)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000267336193 407839785 /nfs/dbraw/zinc/83/97/85/407839785.db2.gz RMEXUQVJXVKBCV-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000191273662 163180095 /nfs/dbraw/zinc/18/00/95/163180095.db2.gz BENRMCFRECANCG-UHFFFAOYSA-N 2 1 304.438 1.876 20 30 DDEDMP CN(CCC[N@@H+](C)CCOc1ccccc1C#N)CC[NH+](C)C ZINC000288778015 409177844 /nfs/dbraw/zinc/17/78/44/409177844.db2.gz BONQXKDUXQTFEJ-UHFFFAOYSA-N 2 1 318.465 1.752 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000290175344 409314178 /nfs/dbraw/zinc/31/41/78/409314178.db2.gz FKENAWLXPNZCRR-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000358806323 410534925 /nfs/dbraw/zinc/53/49/25/410534925.db2.gz NAJDOPXFMLMYQL-JKSUJKDBSA-N 2 1 306.454 1.563 20 30 DDEDMP [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000330274922 410607941 /nfs/dbraw/zinc/60/79/41/410607941.db2.gz KUOHTVDFLMCGDS-KGLIPLIRSA-N 2 1 303.410 1.282 20 30 DDEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000353670051 411103205 /nfs/dbraw/zinc/10/32/05/411103205.db2.gz GCMRSCHSPIFEBD-GOSISDBHSA-N 2 1 314.433 1.183 20 30 DDEDMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000353670051 411103207 /nfs/dbraw/zinc/10/32/07/411103207.db2.gz GCMRSCHSPIFEBD-GOSISDBHSA-N 2 1 314.433 1.183 20 30 DDEDMP C=C(C)CN(CC)C(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360926906 418548697 /nfs/dbraw/zinc/54/86/97/418548697.db2.gz LAQDZKICTARUGD-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000237198820 222207973 /nfs/dbraw/zinc/20/79/73/222207973.db2.gz CNJVXEFKGSDLIL-GOSISDBHSA-N 2 1 316.449 1.583 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261943735 222261713 /nfs/dbraw/zinc/26/17/13/222261713.db2.gz FDRBPHXJTVIWJL-RBRCJPGISA-N 2 1 320.481 1.448 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1cc(Cl)cn1C ZINC000261943282 222261866 /nfs/dbraw/zinc/26/18/66/222261866.db2.gz FCIRXSUPOFUTOG-GFCCVEGCSA-N 2 1 311.861 1.637 20 30 DDEDMP CC(C)CCNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264128361 222322846 /nfs/dbraw/zinc/32/28/46/222322846.db2.gz XBGXIMWXMNWDGQ-UHFFFAOYSA-N 2 1 318.469 1.284 20 30 DDEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262184373 222273189 /nfs/dbraw/zinc/27/31/89/222273189.db2.gz XLHICGQLQDJXEA-KRWDZBQOSA-N 2 1 301.434 1.731 20 30 DDEDMP C=CCNC(=[NH2+])NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264066035 222312520 /nfs/dbraw/zinc/31/25/20/222312520.db2.gz DYRNLXGLABJHQY-GASCZTMLSA-N 2 1 316.449 1.886 20 30 DDEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCOCC1)c1ccccc1 ZINC000264083309 222315229 /nfs/dbraw/zinc/31/52/29/222315229.db2.gz JCBGDRPIKWNLBI-INIZCTEOSA-N 2 1 304.438 1.716 20 30 DDEDMP Cc1cc(C)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(C)c1 ZINC000264117597 222320607 /nfs/dbraw/zinc/32/06/07/222320607.db2.gz TVDNQTUTWFCSRU-UHFFFAOYSA-N 2 1 318.465 1.738 20 30 DDEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375808914 418688958 /nfs/dbraw/zinc/68/89/58/418688958.db2.gz DPAUMBWDELBMNX-GJZGRUSLSA-N 2 1 302.422 1.781 20 30 DDEDMP C#CCNC(=O)[C@H](C)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375808914 418688961 /nfs/dbraw/zinc/68/89/61/418688961.db2.gz DPAUMBWDELBMNX-GJZGRUSLSA-N 2 1 302.422 1.781 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000364251646 418774370 /nfs/dbraw/zinc/77/43/70/418774370.db2.gz LBGZLFRMOUHWQS-DZGCQCFKSA-N 2 1 304.442 1.493 20 30 DDEDMP C=CC[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000420304451 420192922 /nfs/dbraw/zinc/19/29/22/420192922.db2.gz OMWBPKXJXOKNFC-UHFFFAOYSA-N 2 1 304.394 1.488 20 30 DDEDMP C=CC[N@H+](CCN1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000420304451 420192925 /nfs/dbraw/zinc/19/29/25/420192925.db2.gz OMWBPKXJXOKNFC-UHFFFAOYSA-N 2 1 304.394 1.488 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2F)CC1 ZINC000565535676 421598847 /nfs/dbraw/zinc/59/88/47/421598847.db2.gz XRWATHLBWJITAB-QGZVFWFLSA-N 2 1 322.424 1.943 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715824 422580290 /nfs/dbraw/zinc/58/02/90/422580290.db2.gz KMIQMMACWKODQP-QYZOEREBSA-N 2 1 316.445 1.947 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715824 422580296 /nfs/dbraw/zinc/58/02/96/422580296.db2.gz KMIQMMACWKODQP-QYZOEREBSA-N 2 1 316.445 1.947 20 30 DDEDMP C=CCc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc(OC)c1O ZINC000647493239 424066216 /nfs/dbraw/zinc/06/62/16/424066216.db2.gz WODZQMPGEPCTJG-UHFFFAOYSA-N 2 1 319.449 1.466 20 30 DDEDMP CC[C@@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@](O)(CC)C2)C1 ZINC000640035523 424101879 /nfs/dbraw/zinc/10/18/79/424101879.db2.gz KSHYINWLWWQVCJ-QZTJIDSGSA-N 2 1 308.466 1.464 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1cccs1 ZINC000267430301 276184157 /nfs/dbraw/zinc/18/41/57/276184157.db2.gz MIZLIIDDWWXKHU-SWLSCSKDSA-N 2 1 310.467 1.344 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000337196885 526477450 /nfs/dbraw/zinc/47/74/50/526477450.db2.gz XVLXWNGAWJRRCT-LSDHHAIUSA-N 2 1 302.422 1.462 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000337196885 526477454 /nfs/dbraw/zinc/47/74/54/526477454.db2.gz XVLXWNGAWJRRCT-LSDHHAIUSA-N 2 1 302.422 1.462 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000491674720 526816084 /nfs/dbraw/zinc/81/60/84/526816084.db2.gz LBGSPIJGALRTKG-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000491674720 526816087 /nfs/dbraw/zinc/81/60/87/526816087.db2.gz LBGSPIJGALRTKG-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000491674720 526816093 /nfs/dbraw/zinc/81/60/93/526816093.db2.gz LBGSPIJGALRTKG-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000491209536 526824287 /nfs/dbraw/zinc/82/42/87/526824287.db2.gz IMBRZKKJJHFJME-UHFFFAOYSA-N 2 1 300.468 1.135 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000491209536 526824295 /nfs/dbraw/zinc/82/42/95/526824295.db2.gz IMBRZKKJJHFJME-UHFFFAOYSA-N 2 1 300.468 1.135 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000491040824 526926732 /nfs/dbraw/zinc/92/67/32/526926732.db2.gz WLLACGTVQAEPBD-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972159164 695166657 /nfs/dbraw/zinc/16/66/57/695166657.db2.gz SLTIPTYMMMOFPH-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000972159164 695166659 /nfs/dbraw/zinc/16/66/59/695166659.db2.gz SLTIPTYMMMOFPH-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000972159164 695166661 /nfs/dbraw/zinc/16/66/61/695166661.db2.gz SLTIPTYMMMOFPH-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552256 695279936 /nfs/dbraw/zinc/27/99/36/695279936.db2.gz MDVVZIHIMLYDNI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972552256 695279939 /nfs/dbraw/zinc/27/99/39/695279939.db2.gz MDVVZIHIMLYDNI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972552256 695279941 /nfs/dbraw/zinc/27/99/41/695279941.db2.gz MDVVZIHIMLYDNI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974648613 695703644 /nfs/dbraw/zinc/70/36/44/695703644.db2.gz DNJFZJFSEHGONY-JKSUJKDBSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974648613 695703646 /nfs/dbraw/zinc/70/36/46/695703646.db2.gz DNJFZJFSEHGONY-JKSUJKDBSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974648613 695703648 /nfs/dbraw/zinc/70/36/48/695703648.db2.gz DNJFZJFSEHGONY-JKSUJKDBSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC000978284949 696358099 /nfs/dbraw/zinc/35/80/99/696358099.db2.gz UNQBYWAXAITBRV-MOORWZHQSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC000978284949 696358100 /nfs/dbraw/zinc/35/81/00/696358100.db2.gz UNQBYWAXAITBRV-MOORWZHQSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1[C@H]2C[NH+](C/C=C\Cl)C[C@@H]12 ZINC000978284949 696358103 /nfs/dbraw/zinc/35/81/03/696358103.db2.gz UNQBYWAXAITBRV-MOORWZHQSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1[C@H]2C[NH+](C/C=C\Cl)C[C@@H]12 ZINC000978284949 696358106 /nfs/dbraw/zinc/35/81/06/696358106.db2.gz UNQBYWAXAITBRV-MOORWZHQSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978948222 696478868 /nfs/dbraw/zinc/47/88/68/696478868.db2.gz XGKUCOJPQJXVBJ-ZJPYXAASSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978948222 696478870 /nfs/dbraw/zinc/47/88/70/696478870.db2.gz XGKUCOJPQJXVBJ-ZJPYXAASSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978948222 696478872 /nfs/dbraw/zinc/47/88/72/696478872.db2.gz XGKUCOJPQJXVBJ-ZJPYXAASSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764862 696907519 /nfs/dbraw/zinc/90/75/19/696907519.db2.gz HVARIRXWFOIPKA-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764862 696907521 /nfs/dbraw/zinc/90/75/21/696907521.db2.gz HVARIRXWFOIPKA-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764862 696907523 /nfs/dbraw/zinc/90/75/23/696907523.db2.gz HVARIRXWFOIPKA-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813974 696927651 /nfs/dbraw/zinc/92/76/51/696927651.db2.gz SYKHFAJQDHKXDH-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813974 696927654 /nfs/dbraw/zinc/92/76/54/696927654.db2.gz SYKHFAJQDHKXDH-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820560 696930728 /nfs/dbraw/zinc/93/07/28/696930728.db2.gz WDAVZMIWHPWONL-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820560 696930732 /nfs/dbraw/zinc/93/07/32/696930732.db2.gz WDAVZMIWHPWONL-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820560 696930733 /nfs/dbraw/zinc/93/07/33/696930733.db2.gz WDAVZMIWHPWONL-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820560 696930736 /nfs/dbraw/zinc/93/07/36/696930736.db2.gz WDAVZMIWHPWONL-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000981484469 697108635 /nfs/dbraw/zinc/10/86/35/697108635.db2.gz RAIIULYJDMLCJD-HNNXBMFYSA-N 2 1 316.449 1.933 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@@]1(C)CCCS1 ZINC000159278266 697308873 /nfs/dbraw/zinc/30/88/73/697308873.db2.gz ZSUDLUVNZQHFJW-XJKSGUPXSA-N 2 1 310.511 1.921 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000985694790 697557858 /nfs/dbraw/zinc/55/78/58/697557858.db2.gz OHNZHHQIVGPIKD-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000985694790 697557859 /nfs/dbraw/zinc/55/78/59/697557859.db2.gz OHNZHHQIVGPIKD-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000985694790 697557860 /nfs/dbraw/zinc/55/78/60/697557860.db2.gz OHNZHHQIVGPIKD-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@H]1CCc2ccccc21 ZINC000245410094 697822455 /nfs/dbraw/zinc/82/24/55/697822455.db2.gz PIQKELZJOKPGAI-GOEBONIOSA-N 2 1 300.450 1.833 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000986567628 697840955 /nfs/dbraw/zinc/84/09/55/697840955.db2.gz CDUGQPRTDVKJNX-KGLIPLIRSA-N 2 1 302.422 1.527 20 30 DDEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCSCC1 ZINC000303868114 698607647 /nfs/dbraw/zinc/60/76/47/698607647.db2.gz AIIIHYFIHXDCQJ-UHFFFAOYSA-N 2 1 318.490 1.798 20 30 DDEDMP [NH2+]=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)NCC1CCC1 ZINC000303900652 698610534 /nfs/dbraw/zinc/61/05/34/698610534.db2.gz SEYIXTJEAUUAEL-QGZVFWFLSA-N 2 1 316.449 1.110 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990761185 699152826 /nfs/dbraw/zinc/15/28/26/699152826.db2.gz IBSMPYPTDGFIPW-FAJBIJEISA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990761185 699152828 /nfs/dbraw/zinc/15/28/28/699152828.db2.gz IBSMPYPTDGFIPW-FAJBIJEISA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990761185 699152830 /nfs/dbraw/zinc/15/28/30/699152830.db2.gz IBSMPYPTDGFIPW-FAJBIJEISA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000730104889 699501415 /nfs/dbraw/zinc/50/14/15/699501415.db2.gz YVHAKKKVMDXCOZ-ROUUACIJSA-N 2 1 313.445 1.373 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000730104889 699501417 /nfs/dbraw/zinc/50/14/17/699501417.db2.gz YVHAKKKVMDXCOZ-ROUUACIJSA-N 2 1 313.445 1.373 20 30 DDEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000763433269 700937911 /nfs/dbraw/zinc/93/79/11/700937911.db2.gz POQAKHPUYQTBAQ-INIZCTEOSA-N 2 1 320.481 1.993 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000763433269 700937913 /nfs/dbraw/zinc/93/79/13/700937913.db2.gz POQAKHPUYQTBAQ-INIZCTEOSA-N 2 1 320.481 1.993 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000879579466 706726077 /nfs/dbraw/zinc/72/60/77/706726077.db2.gz MLZLHABWVQMTJB-IXDOHACOSA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000879579466 706726078 /nfs/dbraw/zinc/72/60/78/706726078.db2.gz MLZLHABWVQMTJB-IXDOHACOSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000879579466 706726079 /nfs/dbraw/zinc/72/60/79/706726079.db2.gz MLZLHABWVQMTJB-IXDOHACOSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000879579466 706726080 /nfs/dbraw/zinc/72/60/80/706726080.db2.gz MLZLHABWVQMTJB-IXDOHACOSA-N 2 1 315.417 1.324 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852909071 704169889 /nfs/dbraw/zinc/16/98/89/704169889.db2.gz OJOFFPKBWMIQSN-INIZCTEOSA-N 2 1 303.450 1.513 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC[NH+]1CCCCC1 ZINC000876713381 705833647 /nfs/dbraw/zinc/83/36/47/705833647.db2.gz IPIPBAYMLPVVFO-QGZVFWFLSA-N 2 1 312.417 1.347 20 30 DDEDMP C#CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000829779475 706394705 /nfs/dbraw/zinc/39/47/05/706394705.db2.gz WGWNWNZNOXHDPT-HNNXBMFYSA-N 2 1 303.450 1.465 20 30 DDEDMP Nc1ccc2c(c1)CCCC2=[NH+]NCCC[NH+]1CCOCC1 ZINC000834976176 707154376 /nfs/dbraw/zinc/15/43/76/707154376.db2.gz IZELNCRLIOXXSX-UHFFFAOYSA-N 2 1 302.422 1.621 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000838624431 707955916 /nfs/dbraw/zinc/95/59/16/707955916.db2.gz YKTBZVXBJFOOOR-MRXNPFEDSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000884070824 708125870 /nfs/dbraw/zinc/12/58/70/708125870.db2.gz ZDWSXHFGTJGUEE-KRWDZBQOSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000884070824 708125873 /nfs/dbraw/zinc/12/58/73/708125873.db2.gz ZDWSXHFGTJGUEE-KRWDZBQOSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000890371456 709842851 /nfs/dbraw/zinc/84/28/51/709842851.db2.gz VVAQXMKVDWVPCC-DLBZAZTESA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000890371456 709842852 /nfs/dbraw/zinc/84/28/52/709842852.db2.gz VVAQXMKVDWVPCC-DLBZAZTESA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000890371456 709842856 /nfs/dbraw/zinc/84/28/56/709842856.db2.gz VVAQXMKVDWVPCC-DLBZAZTESA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000890371456 709842860 /nfs/dbraw/zinc/84/28/60/709842860.db2.gz VVAQXMKVDWVPCC-DLBZAZTESA-N 2 1 320.481 1.600 20 30 DDEDMP N#CCc1cccc2c1CC[N@@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903776865 711276516 /nfs/dbraw/zinc/27/65/16/711276516.db2.gz XFMLHWPAOKYFEZ-MJGOQNOKSA-N 2 1 311.429 1.879 20 30 DDEDMP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)ccc1C#N ZINC000895770968 711602137 /nfs/dbraw/zinc/60/21/37/711602137.db2.gz SYUFWXVRXXRBSG-UONOGXRCSA-N 2 1 300.410 1.185 20 30 DDEDMP C[NH+]1CC[C@H]1CNc1ccc(C#N)c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895770968 711602138 /nfs/dbraw/zinc/60/21/38/711602138.db2.gz SYUFWXVRXXRBSG-UONOGXRCSA-N 2 1 300.410 1.185 20 30 DDEDMP C[NH+]1CC[C@H]1CNc1ccc(C#N)c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895770968 711602140 /nfs/dbraw/zinc/60/21/40/711602140.db2.gz SYUFWXVRXXRBSG-UONOGXRCSA-N 2 1 300.410 1.185 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000920410503 713667397 /nfs/dbraw/zinc/66/73/97/713667397.db2.gz BQZRDCUWBPSKQS-HUUCEWRRSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000922467368 714062733 /nfs/dbraw/zinc/06/27/33/714062733.db2.gz ZHCWTYBNRKQCCU-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CCN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000922737477 714132374 /nfs/dbraw/zinc/13/23/74/714132374.db2.gz MGFHDKJOGBXMFX-ZXFUBFMLSA-N 2 1 318.465 1.351 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923367321 714329774 /nfs/dbraw/zinc/32/97/74/714329774.db2.gz SMVMDZCQOHWIGS-SJLPKXTDSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923367321 714329778 /nfs/dbraw/zinc/32/97/78/714329778.db2.gz SMVMDZCQOHWIGS-SJLPKXTDSA-N 2 1 315.417 1.373 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490726 714375157 /nfs/dbraw/zinc/37/51/57/714375157.db2.gz OTZKTUYGDDJSCT-KCXAZCMYSA-N 2 1 301.390 1.689 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923490726 714375160 /nfs/dbraw/zinc/37/51/60/714375160.db2.gz OTZKTUYGDDJSCT-KCXAZCMYSA-N 2 1 301.390 1.689 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000964168135 718016242 /nfs/dbraw/zinc/01/62/42/718016242.db2.gz OXDZMVZCQLCBTN-RFSHTEQGSA-N 2 1 317.477 1.757 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC[C@@H](C)F)C2)CC1 ZINC000957422324 715896226 /nfs/dbraw/zinc/89/62/26/715896226.db2.gz TZBMEGWFPLTAHG-OAHLLOKOSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603086 715966968 /nfs/dbraw/zinc/96/69/68/715966968.db2.gz NQIWHDXDFPIWOQ-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757152 716947038 /nfs/dbraw/zinc/94/70/38/716947038.db2.gz TWRCJLPETHONNJ-OAGGEKHMSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757152 716947043 /nfs/dbraw/zinc/94/70/43/716947043.db2.gz TWRCJLPETHONNJ-OAGGEKHMSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757152 716947047 /nfs/dbraw/zinc/94/70/47/716947047.db2.gz TWRCJLPETHONNJ-OAGGEKHMSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC)CC1(C)C ZINC000940811269 716970673 /nfs/dbraw/zinc/97/06/73/716970673.db2.gz FDGGGYZJGHEJQT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC000940811269 716970678 /nfs/dbraw/zinc/97/06/78/716970678.db2.gz FDGGGYZJGHEJQT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC)CC1(C)C ZINC000940811269 716970681 /nfs/dbraw/zinc/97/06/81/716970681.db2.gz FDGGGYZJGHEJQT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC)CC1(C)C ZINC000940811269 716970685 /nfs/dbraw/zinc/97/06/85/716970685.db2.gz FDGGGYZJGHEJQT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216162 717131856 /nfs/dbraw/zinc/13/18/56/717131856.db2.gz CJWMHYQOBRMGDE-KBPBESRZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216162 717131859 /nfs/dbraw/zinc/13/18/59/717131859.db2.gz CJWMHYQOBRMGDE-KBPBESRZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216162 717131860 /nfs/dbraw/zinc/13/18/60/717131860.db2.gz CJWMHYQOBRMGDE-KBPBESRZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216162 717131863 /nfs/dbraw/zinc/13/18/63/717131863.db2.gz CJWMHYQOBRMGDE-KBPBESRZSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)CC2(C)C)CC1 ZINC000941237396 717136903 /nfs/dbraw/zinc/13/69/03/717136903.db2.gz MSFYCVXPTUEAJX-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942174384 717525349 /nfs/dbraw/zinc/52/53/49/717525349.db2.gz WPBRQGFXBXMRKN-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943332637 718082230 /nfs/dbraw/zinc/08/22/30/718082230.db2.gz DKQXLPSXLQMJOY-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943517015 718135129 /nfs/dbraw/zinc/13/51/29/718135129.db2.gz NKZNNNDDZHNWLO-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)C[C@@H]2C)CC1 ZINC000945183752 718416702 /nfs/dbraw/zinc/41/67/02/718416702.db2.gz SHWTUGSWOUFPSU-WMZOPIPTSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000948269652 719425221 /nfs/dbraw/zinc/42/52/21/719425221.db2.gz PZQBZWZLUFXCSQ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269652 719425225 /nfs/dbraw/zinc/42/52/25/719425225.db2.gz PZQBZWZLUFXCSQ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948269652 719425227 /nfs/dbraw/zinc/42/52/27/719425227.db2.gz PZQBZWZLUFXCSQ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948269652 719425230 /nfs/dbraw/zinc/42/52/30/719425230.db2.gz PZQBZWZLUFXCSQ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269652 719425234 /nfs/dbraw/zinc/42/52/34/719425234.db2.gz PZQBZWZLUFXCSQ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2C)CC1 ZINC000968682400 719733640 /nfs/dbraw/zinc/73/36/40/719733640.db2.gz RAXNRTJRNPOAGD-DOTOQJQBSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919805 719868839 /nfs/dbraw/zinc/86/88/39/719868839.db2.gz LBFWQTBTGVTWSU-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919805 719868848 /nfs/dbraw/zinc/86/88/48/719868848.db2.gz LBFWQTBTGVTWSU-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919805 719868858 /nfs/dbraw/zinc/86/88/58/719868858.db2.gz LBFWQTBTGVTWSU-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919805 719868868 /nfs/dbraw/zinc/86/88/68/719868868.db2.gz LBFWQTBTGVTWSU-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968956849 719898134 /nfs/dbraw/zinc/89/81/34/719898134.db2.gz WXRFXHZTBRZSHW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000968956849 719898139 /nfs/dbraw/zinc/89/81/39/719898139.db2.gz WXRFXHZTBRZSHW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014299 719924135 /nfs/dbraw/zinc/92/41/35/719924135.db2.gz WREHPOLUOMMXJC-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326938 720711491 /nfs/dbraw/zinc/71/14/91/720711491.db2.gz YFYMFOZYENRNRJ-CRAIPNDOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326938 720711493 /nfs/dbraw/zinc/71/14/93/720711493.db2.gz YFYMFOZYENRNRJ-CRAIPNDOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971561851 721354693 /nfs/dbraw/zinc/35/46/93/721354693.db2.gz CEHDSXBFDXFTIW-HUUCEWRRSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971561851 721354696 /nfs/dbraw/zinc/35/46/96/721354696.db2.gz CEHDSXBFDXFTIW-HUUCEWRRSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601133 738455361 /nfs/dbraw/zinc/45/53/61/738455361.db2.gz STESUGCOVNYNAL-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601133 738455363 /nfs/dbraw/zinc/45/53/63/738455363.db2.gz STESUGCOVNYNAL-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001112529880 738663228 /nfs/dbraw/zinc/66/32/28/738663228.db2.gz SVGLPKNNOPQKNU-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001098540703 733210574 /nfs/dbraw/zinc/21/05/74/733210574.db2.gz VRGFSWPXVIRSIS-UHFFFAOYSA-N 2 1 323.481 1.027 20 30 DDEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001098540703 733210575 /nfs/dbraw/zinc/21/05/75/733210575.db2.gz VRGFSWPXVIRSIS-UHFFFAOYSA-N 2 1 323.481 1.027 20 30 DDEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001098540703 733210579 /nfs/dbraw/zinc/21/05/79/733210579.db2.gz VRGFSWPXVIRSIS-UHFFFAOYSA-N 2 1 323.481 1.027 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021631778 733385874 /nfs/dbraw/zinc/38/58/74/733385874.db2.gz ADNLBAKJSYNOOB-QAPCUYQASA-N 2 1 322.412 1.894 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3ccnc3)[C@H]2C1 ZINC001083209749 733392185 /nfs/dbraw/zinc/39/21/85/733392185.db2.gz VCUYSUFYUIMTCL-HRCADAONSA-N 2 1 318.421 1.322 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716115 733479673 /nfs/dbraw/zinc/47/96/73/733479673.db2.gz JQALKNDSIZVNJS-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736961 733497398 /nfs/dbraw/zinc/49/73/98/733497398.db2.gz PTHRXAKQSATBOA-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736961 733497403 /nfs/dbraw/zinc/49/74/03/733497403.db2.gz PTHRXAKQSATBOA-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104371855 734408451 /nfs/dbraw/zinc/40/84/51/734408451.db2.gz KABPBPGUPOOHMX-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001022221776 734438884 /nfs/dbraw/zinc/43/88/84/734438884.db2.gz OXDFMSBKXYRSOR-XHSDSOJGSA-N 2 1 317.458 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001022221776 734438886 /nfs/dbraw/zinc/43/88/86/734438886.db2.gz OXDFMSBKXYRSOR-XHSDSOJGSA-N 2 1 317.458 1.583 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027930794 738826791 /nfs/dbraw/zinc/82/67/91/738826791.db2.gz VJFWGJRNGWLKFS-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027930794 738826796 /nfs/dbraw/zinc/82/67/96/738826796.db2.gz VJFWGJRNGWLKFS-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001022720317 734732635 /nfs/dbraw/zinc/73/26/35/734732635.db2.gz CAQKPOPVLPJPBJ-BETUJISGSA-N 2 1 304.394 1.307 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023402174 735210279 /nfs/dbraw/zinc/21/02/79/735210279.db2.gz HKKHTYFQYZBCDH-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402174 735210281 /nfs/dbraw/zinc/21/02/81/735210281.db2.gz HKKHTYFQYZBCDH-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023451815 735246856 /nfs/dbraw/zinc/24/68/56/735246856.db2.gz MPFCMULFTXCYNH-JKSUJKDBSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001087301960 735983814 /nfs/dbraw/zinc/98/38/14/735983814.db2.gz LLZNZEZCUSZBHZ-IXDOHACOSA-N 2 1 317.477 1.567 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007490765 736361310 /nfs/dbraw/zinc/36/13/10/736361310.db2.gz FJOVLNSFYRTPNF-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007490765 736361311 /nfs/dbraw/zinc/36/13/11/736361311.db2.gz FJOVLNSFYRTPNF-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596326 736775710 /nfs/dbraw/zinc/77/57/10/736775710.db2.gz APWRFAPLIDAISD-CABCVRRESA-N 2 1 314.433 1.611 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001025817986 736869039 /nfs/dbraw/zinc/86/90/39/736869039.db2.gz JTPXDHMCYSKKGU-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025817986 736869042 /nfs/dbraw/zinc/86/90/42/736869042.db2.gz JTPXDHMCYSKKGU-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025817986 736869044 /nfs/dbraw/zinc/86/90/44/736869044.db2.gz JTPXDHMCYSKKGU-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099870 737116879 /nfs/dbraw/zinc/11/68/79/737116879.db2.gz JPMJMZFJEZYDIG-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099870 737116880 /nfs/dbraw/zinc/11/68/80/737116880.db2.gz JPMJMZFJEZYDIG-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099870 737116882 /nfs/dbraw/zinc/11/68/82/737116882.db2.gz JPMJMZFJEZYDIG-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010625 737456596 /nfs/dbraw/zinc/45/65/96/737456596.db2.gz TZAFQLSIWMGRRE-ZACQAIPSSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028180912 739129064 /nfs/dbraw/zinc/12/90/64/739129064.db2.gz IRATVADASUICTD-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028180912 739129066 /nfs/dbraw/zinc/12/90/66/739129066.db2.gz IRATVADASUICTD-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028180912 739129068 /nfs/dbraw/zinc/12/90/68/739129068.db2.gz IRATVADASUICTD-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001035362885 751447849 /nfs/dbraw/zinc/44/78/49/751447849.db2.gz WTJVTCWZYNRHFR-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035362885 751447853 /nfs/dbraw/zinc/44/78/53/751447853.db2.gz WTJVTCWZYNRHFR-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035362885 751447856 /nfs/dbraw/zinc/44/78/56/751447856.db2.gz WTJVTCWZYNRHFR-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035362885 751447860 /nfs/dbraw/zinc/44/78/60/751447860.db2.gz WTJVTCWZYNRHFR-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595444 739764157 /nfs/dbraw/zinc/76/41/57/739764157.db2.gz YUVUPIZGDVNANV-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595444 739764158 /nfs/dbraw/zinc/76/41/58/739764158.db2.gz YUVUPIZGDVNANV-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595444 739764162 /nfs/dbraw/zinc/76/41/62/739764162.db2.gz YUVUPIZGDVNANV-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001029004420 740249826 /nfs/dbraw/zinc/24/98/26/740249826.db2.gz WQBYGXOVYQHNKZ-IRXDYDNUSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671602 740702531 /nfs/dbraw/zinc/70/25/31/740702531.db2.gz GUGXNSDNFUUYKU-BBWFWOEESA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105826 741033881 /nfs/dbraw/zinc/03/38/81/741033881.db2.gz DMYLSYFYBKDVHU-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105826 741033886 /nfs/dbraw/zinc/03/38/86/741033886.db2.gz DMYLSYFYBKDVHU-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088105826 741033890 /nfs/dbraw/zinc/03/38/90/741033890.db2.gz DMYLSYFYBKDVHU-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088822634 742461283 /nfs/dbraw/zinc/46/12/83/742461283.db2.gz ANYFXGLSSSJVMM-HIFRSBDPSA-N 2 1 303.406 1.557 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC001088822634 742461286 /nfs/dbraw/zinc/46/12/86/742461286.db2.gz ANYFXGLSSSJVMM-HIFRSBDPSA-N 2 1 303.406 1.557 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922247 744369814 /nfs/dbraw/zinc/36/98/14/744369814.db2.gz AMIRFXWMYSENOI-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992432317 744873080 /nfs/dbraw/zinc/87/30/80/744873080.db2.gz QDTCPSPEFDBUDP-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992432317 744873083 /nfs/dbraw/zinc/87/30/83/744873083.db2.gz QDTCPSPEFDBUDP-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992432317 744873088 /nfs/dbraw/zinc/87/30/88/744873088.db2.gz QDTCPSPEFDBUDP-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189801384 745000529 /nfs/dbraw/zinc/00/05/29/745000529.db2.gz DOUXLOIOYCWCQI-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CC[NH2+]CC(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001121998134 745010331 /nfs/dbraw/zinc/01/03/31/745010331.db2.gz QROPZNVSTDUDKK-UHFFFAOYSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[NH2+]CC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC001121998134 745010337 /nfs/dbraw/zinc/01/03/37/745010337.db2.gz QROPZNVSTDUDKK-UHFFFAOYSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC000992772474 745187177 /nfs/dbraw/zinc/18/71/77/745187177.db2.gz OYVNYNYJRMSXSC-HRCADAONSA-N 2 1 300.406 1.041 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653063 745285690 /nfs/dbraw/zinc/28/56/90/745285690.db2.gz BJQKOYPQQRECTR-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190653063 745285691 /nfs/dbraw/zinc/28/56/91/745285691.db2.gz BJQKOYPQQRECTR-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001191018520 745405360 /nfs/dbraw/zinc/40/53/60/745405360.db2.gz AJRSHMUPFHFKBX-CABCVRRESA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001191018520 745405362 /nfs/dbraw/zinc/40/53/62/745405362.db2.gz AJRSHMUPFHFKBX-CABCVRRESA-N 2 1 316.449 1.932 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203506624 745672624 /nfs/dbraw/zinc/67/26/24/745672624.db2.gz KKBSTHXHKGKARQ-JKSUJKDBSA-N 2 1 321.465 1.302 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603212 745746531 /nfs/dbraw/zinc/74/65/31/745746531.db2.gz PFPVKNMJHWXRKC-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603212 745746537 /nfs/dbraw/zinc/74/65/37/745746537.db2.gz PFPVKNMJHWXRKC-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603212 745746542 /nfs/dbraw/zinc/74/65/42/745746542.db2.gz PFPVKNMJHWXRKC-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603212 745746547 /nfs/dbraw/zinc/74/65/47/745746547.db2.gz PFPVKNMJHWXRKC-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570933 745805179 /nfs/dbraw/zinc/80/51/79/745805179.db2.gz FMAKDMKCGXZHBL-FGTMMUONSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193792147 746194292 /nfs/dbraw/zinc/19/42/92/746194292.db2.gz YROOFOCANUWXAE-BRWVUGGUSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001036092298 752152939 /nfs/dbraw/zinc/15/29/39/752152939.db2.gz COTSUNDGPYEVHC-ZFWWWQNUSA-N 2 1 320.437 1.753 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536359 747165348 /nfs/dbraw/zinc/16/53/48/747165348.db2.gz BYMKZXOTRWPABT-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536359 747165352 /nfs/dbraw/zinc/16/53/52/747165352.db2.gz BYMKZXOTRWPABT-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536359 747165356 /nfs/dbraw/zinc/16/53/56/747165356.db2.gz BYMKZXOTRWPABT-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089537179 747166985 /nfs/dbraw/zinc/16/69/85/747166985.db2.gz KHPIHYULAOKBOV-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537179 747166989 /nfs/dbraw/zinc/16/69/89/747166989.db2.gz KHPIHYULAOKBOV-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537179 747166994 /nfs/dbraw/zinc/16/69/94/747166994.db2.gz KHPIHYULAOKBOV-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198616810 747550413 /nfs/dbraw/zinc/55/04/13/747550413.db2.gz JIFIAWKZOFOVCH-HZPDHXFCSA-N 2 1 317.433 1.722 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723531 747701567 /nfs/dbraw/zinc/70/15/67/747701567.db2.gz LKYPSJRQRDDWEZ-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553797 748268505 /nfs/dbraw/zinc/26/85/05/748268505.db2.gz AGFWKKKVBHBGBV-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832470 748357118 /nfs/dbraw/zinc/35/71/18/748357118.db2.gz ITILVNNYBUFACI-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832470 748357125 /nfs/dbraw/zinc/35/71/25/748357125.db2.gz ITILVNNYBUFACI-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832470 748357133 /nfs/dbraw/zinc/35/71/33/748357133.db2.gz ITILVNNYBUFACI-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151588 748626244 /nfs/dbraw/zinc/62/62/44/748626244.db2.gz KGNFRIZIKLRYFF-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151588 748626249 /nfs/dbraw/zinc/62/62/49/748626249.db2.gz KGNFRIZIKLRYFF-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033151588 748626255 /nfs/dbraw/zinc/62/62/55/748626255.db2.gz KGNFRIZIKLRYFF-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033151588 748626262 /nfs/dbraw/zinc/62/62/62/748626262.db2.gz KGNFRIZIKLRYFF-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667788 748876634 /nfs/dbraw/zinc/87/66/34/748876634.db2.gz KZUVEZLREZUHNP-WCXIOVBPSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296275 749137948 /nfs/dbraw/zinc/13/79/48/749137948.db2.gz SCVBNGYFUHRYQL-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033831479 749953950 /nfs/dbraw/zinc/95/39/50/749953950.db2.gz WWUDEGJYTMUSBH-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001033932260 750143184 /nfs/dbraw/zinc/14/31/84/750143184.db2.gz JZQGACSLEZZNRN-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932260 750143186 /nfs/dbraw/zinc/14/31/86/750143186.db2.gz JZQGACSLEZZNRN-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932260 750143188 /nfs/dbraw/zinc/14/31/88/750143188.db2.gz JZQGACSLEZZNRN-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932260 750143189 /nfs/dbraw/zinc/14/31/89/750143189.db2.gz JZQGACSLEZZNRN-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932260 750143191 /nfs/dbraw/zinc/14/31/91/750143191.db2.gz JZQGACSLEZZNRN-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001034732663 750778682 /nfs/dbraw/zinc/77/86/82/750778682.db2.gz GOOLSJWADJPXHY-BZUAXINKSA-N 2 1 316.449 1.957 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034737207 750793961 /nfs/dbraw/zinc/79/39/61/750793961.db2.gz HLNDEFUADPTADQ-MXAVVETBSA-N 2 1 313.873 1.954 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](C(C)C)C2)CC1 ZINC001035194911 751294625 /nfs/dbraw/zinc/29/46/25/751294625.db2.gz HDDIFKNKTGKKDD-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035194911 751294627 /nfs/dbraw/zinc/29/46/27/751294627.db2.gz HDDIFKNKTGKKDD-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C(C)C)C2)CC1 ZINC001035194911 751294630 /nfs/dbraw/zinc/29/46/30/751294630.db2.gz HDDIFKNKTGKKDD-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](C(C)C)C2)CC1 ZINC001035194911 751294633 /nfs/dbraw/zinc/29/46/33/751294633.db2.gz HDDIFKNKTGKKDD-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001032663785 752647201 /nfs/dbraw/zinc/64/72/01/752647201.db2.gz CKZJIZNXHOTSBT-YESZJQIVSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001032663785 752647204 /nfs/dbraw/zinc/64/72/04/752647204.db2.gz CKZJIZNXHOTSBT-YESZJQIVSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001032663785 752647207 /nfs/dbraw/zinc/64/72/07/752647207.db2.gz CKZJIZNXHOTSBT-YESZJQIVSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001032663785 752647211 /nfs/dbraw/zinc/64/72/11/752647211.db2.gz CKZJIZNXHOTSBT-YESZJQIVSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032665047 752654000 /nfs/dbraw/zinc/65/40/00/752654000.db2.gz XLQLUIDTHABULW-ULQDDVLXSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001032665047 752654005 /nfs/dbraw/zinc/65/40/05/752654005.db2.gz XLQLUIDTHABULW-ULQDDVLXSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009142814 753085548 /nfs/dbraw/zinc/08/55/48/753085548.db2.gz FSSLVMKYVCOUJO-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009142814 753085554 /nfs/dbraw/zinc/08/55/54/753085554.db2.gz FSSLVMKYVCOUJO-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107999023 753426279 /nfs/dbraw/zinc/42/62/79/753426279.db2.gz XBUZPEKSAOUYBX-DOTOQJQBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107999023 753426284 /nfs/dbraw/zinc/42/62/84/753426284.db2.gz XBUZPEKSAOUYBX-DOTOQJQBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001108007061 753493750 /nfs/dbraw/zinc/49/37/50/753493750.db2.gz LKUXUSKLHBUEGW-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108007061 753493752 /nfs/dbraw/zinc/49/37/52/753493752.db2.gz LKUXUSKLHBUEGW-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007061 753493755 /nfs/dbraw/zinc/49/37/55/753493755.db2.gz LKUXUSKLHBUEGW-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007061 753493757 /nfs/dbraw/zinc/49/37/57/753493757.db2.gz LKUXUSKLHBUEGW-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108007217 753494805 /nfs/dbraw/zinc/49/48/05/753494805.db2.gz PJXKGJIMVLEBGS-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007217 753494809 /nfs/dbraw/zinc/49/48/09/753494809.db2.gz PJXKGJIMVLEBGS-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108007217 753494813 /nfs/dbraw/zinc/49/48/13/753494813.db2.gz PJXKGJIMVLEBGS-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659243 756415257 /nfs/dbraw/zinc/41/52/57/756415257.db2.gz SNGNURMATDCBAH-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081659243 756415263 /nfs/dbraw/zinc/41/52/63/756415263.db2.gz SNGNURMATDCBAH-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081659243 756415270 /nfs/dbraw/zinc/41/52/70/756415270.db2.gz SNGNURMATDCBAH-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081766888 756473344 /nfs/dbraw/zinc/47/33/44/756473344.db2.gz IGABDSYOPIARPB-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766888 756473347 /nfs/dbraw/zinc/47/33/47/756473347.db2.gz IGABDSYOPIARPB-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766888 756473350 /nfs/dbraw/zinc/47/33/50/756473350.db2.gz IGABDSYOPIARPB-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081856916 756519796 /nfs/dbraw/zinc/51/97/96/756519796.db2.gz QAPOUQRHXFZYJO-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081856916 756519802 /nfs/dbraw/zinc/51/98/02/756519802.db2.gz QAPOUQRHXFZYJO-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081856916 756519804 /nfs/dbraw/zinc/51/98/04/756519804.db2.gz QAPOUQRHXFZYJO-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081856916 756519809 /nfs/dbraw/zinc/51/98/09/756519809.db2.gz QAPOUQRHXFZYJO-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001015976619 756691474 /nfs/dbraw/zinc/69/14/74/756691474.db2.gz OHKWZWQWSZFOGD-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015976619 756691476 /nfs/dbraw/zinc/69/14/76/756691476.db2.gz OHKWZWQWSZFOGD-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015976619 756691478 /nfs/dbraw/zinc/69/14/78/756691478.db2.gz OHKWZWQWSZFOGD-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015976619 756691480 /nfs/dbraw/zinc/69/14/80/756691480.db2.gz OHKWZWQWSZFOGD-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001082708656 756899932 /nfs/dbraw/zinc/89/99/32/756899932.db2.gz GKNXMYURKCNROM-IVMMDQJWSA-N 2 1 302.422 1.376 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210485 756981911 /nfs/dbraw/zinc/98/19/11/756981911.db2.gz VKUQZWUDXRKXLJ-TVFCKZIOSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210485 756981914 /nfs/dbraw/zinc/98/19/14/756981914.db2.gz VKUQZWUDXRKXLJ-TVFCKZIOSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210485 756981918 /nfs/dbraw/zinc/98/19/18/756981918.db2.gz VKUQZWUDXRKXLJ-TVFCKZIOSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=C)C)CC2 ZINC001016670711 757252458 /nfs/dbraw/zinc/25/24/58/757252458.db2.gz RGWXOICQWRWOAO-DLBZAZTESA-N 2 1 315.461 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(=C)C)CC2 ZINC001016670711 757252466 /nfs/dbraw/zinc/25/24/66/757252466.db2.gz RGWXOICQWRWOAO-DLBZAZTESA-N 2 1 315.461 1.631 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016690602 757270749 /nfs/dbraw/zinc/27/07/49/757270749.db2.gz RWRINPRGBCRVAC-BZUAXINKSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016690602 757270755 /nfs/dbraw/zinc/27/07/55/757270755.db2.gz RWRINPRGBCRVAC-BZUAXINKSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016819325 757377273 /nfs/dbraw/zinc/37/72/73/757377273.db2.gz JLHBXHAUMKDAGX-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484478 757606142 /nfs/dbraw/zinc/60/61/42/757606142.db2.gz XAXDDIQGYPWERL-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598674 757692724 /nfs/dbraw/zinc/69/27/24/757692724.db2.gz AIYIIFMSAULOPB-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598674 757692729 /nfs/dbraw/zinc/69/27/29/757692729.db2.gz AIYIIFMSAULOPB-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598674 757692732 /nfs/dbraw/zinc/69/27/32/757692732.db2.gz AIYIIFMSAULOPB-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040530620 762580963 /nfs/dbraw/zinc/58/09/63/762580963.db2.gz DSFWCJCQYHWLRC-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040530620 762580970 /nfs/dbraw/zinc/58/09/70/762580970.db2.gz DSFWCJCQYHWLRC-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040530620 762580977 /nfs/dbraw/zinc/58/09/77/762580977.db2.gz DSFWCJCQYHWLRC-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133639 759207640 /nfs/dbraw/zinc/20/76/40/759207640.db2.gz IFXFHYOOUCMTFK-HKUYNNGSSA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054199235 759285742 /nfs/dbraw/zinc/28/57/42/759285742.db2.gz QOCCKOCYVZSPKU-FUHWJXTLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639801 759912895 /nfs/dbraw/zinc/91/28/95/759912895.db2.gz WIPICPGRDMTPIZ-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639801 759912899 /nfs/dbraw/zinc/91/28/99/759912899.db2.gz WIPICPGRDMTPIZ-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639801 759912904 /nfs/dbraw/zinc/91/29/04/759912904.db2.gz WIPICPGRDMTPIZ-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001054910829 760178326 /nfs/dbraw/zinc/17/83/26/760178326.db2.gz GFLYKJRHDZZBMX-ZFWWWQNUSA-N 2 1 302.422 1.384 20 30 DDEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917073 760525775 /nfs/dbraw/zinc/52/57/75/760525775.db2.gz PLAWUGBJGLZXMD-KRWDZBQOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917073 760525782 /nfs/dbraw/zinc/52/57/82/760525782.db2.gz PLAWUGBJGLZXMD-KRWDZBQOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039135275 761768989 /nfs/dbraw/zinc/76/89/89/761768989.db2.gz ZKMBYWXZXDRNBP-ROUUACIJSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404533 762832760 /nfs/dbraw/zinc/83/27/60/762832760.db2.gz ISAVERCZTIPHOL-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001532118 762941469 /nfs/dbraw/zinc/94/14/69/762941469.db2.gz KQZMUAVHJHINES-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001532118 762941472 /nfs/dbraw/zinc/94/14/72/762941472.db2.gz KQZMUAVHJHINES-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041360568 762979294 /nfs/dbraw/zinc/97/92/94/762979294.db2.gz ZEYKEEZUKRZVNZ-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041360568 762979298 /nfs/dbraw/zinc/97/92/98/762979298.db2.gz ZEYKEEZUKRZVNZ-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041360568 762979304 /nfs/dbraw/zinc/97/93/04/762979304.db2.gz ZEYKEEZUKRZVNZ-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041439660 763033085 /nfs/dbraw/zinc/03/30/85/763033085.db2.gz HTGUKZMSTYZNNW-QGZVFWFLSA-N 2 1 303.450 1.725 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095445 763127466 /nfs/dbraw/zinc/12/74/66/763127466.db2.gz PZQGERULZKZHBX-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CC)C3)C2)CC1 ZINC001041844428 763399871 /nfs/dbraw/zinc/39/98/71/763399871.db2.gz IBCFLYSMHWJWBI-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094932 763642750 /nfs/dbraw/zinc/64/27/50/763642750.db2.gz ZUOAPNHDKKNXDU-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042095608 763644848 /nfs/dbraw/zinc/64/48/48/763644848.db2.gz OGTUZHIHXCCPOL-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095608 763644852 /nfs/dbraw/zinc/64/48/52/763644852.db2.gz OGTUZHIHXCCPOL-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095608 763644858 /nfs/dbraw/zinc/64/48/58/763644858.db2.gz OGTUZHIHXCCPOL-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902636 764185123 /nfs/dbraw/zinc/18/51/23/764185123.db2.gz UBMVRILSXYGVBI-KBMXLJTQSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704690 768272885 /nfs/dbraw/zinc/27/28/85/768272885.db2.gz YNVOIYDVAUTHEN-DOTOQJQBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704690 768272889 /nfs/dbraw/zinc/27/28/89/768272889.db2.gz YNVOIYDVAUTHEN-DOTOQJQBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704690 768272893 /nfs/dbraw/zinc/27/28/93/768272893.db2.gz YNVOIYDVAUTHEN-DOTOQJQBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131692054 768274991 /nfs/dbraw/zinc/27/49/91/768274991.db2.gz CUXFXVJHVLKEFH-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439056 765828951 /nfs/dbraw/zinc/82/89/51/765828951.db2.gz HNIVYBGBLGAJGL-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439056 765828960 /nfs/dbraw/zinc/82/89/60/765828960.db2.gz HNIVYBGBLGAJGL-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515188 765908606 /nfs/dbraw/zinc/90/86/06/765908606.db2.gz AYWVWPRHATVUAJ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515188 765908610 /nfs/dbraw/zinc/90/86/10/765908610.db2.gz AYWVWPRHATVUAJ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515188 765908617 /nfs/dbraw/zinc/90/86/17/765908617.db2.gz AYWVWPRHATVUAJ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096101223 767631131 /nfs/dbraw/zinc/63/11/31/767631131.db2.gz PVSNZCVRUDZCGP-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096101223 767631134 /nfs/dbraw/zinc/63/11/34/767631134.db2.gz PVSNZCVRUDZCGP-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046566812 767694467 /nfs/dbraw/zinc/69/44/67/767694467.db2.gz CWJZBZIHRVBWJH-RDJZCZTQSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046566812 767694468 /nfs/dbraw/zinc/69/44/68/767694468.db2.gz CWJZBZIHRVBWJH-RDJZCZTQSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566812 767694469 /nfs/dbraw/zinc/69/44/69/767694469.db2.gz CWJZBZIHRVBWJH-RDJZCZTQSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566812 767694470 /nfs/dbraw/zinc/69/44/70/767694470.db2.gz CWJZBZIHRVBWJH-RDJZCZTQSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046617060 767743237 /nfs/dbraw/zinc/74/32/37/767743237.db2.gz AJRWPHUJLCNALA-CRAIPNDOSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046617060 767743240 /nfs/dbraw/zinc/74/32/40/767743240.db2.gz AJRWPHUJLCNALA-CRAIPNDOSA-N 2 1 314.433 1.358 20 30 DDEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132437122 768859245 /nfs/dbraw/zinc/85/92/45/768859245.db2.gz QGXKKSMXUQPSSW-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132437122 768859259 /nfs/dbraw/zinc/85/92/59/768859259.db2.gz QGXKKSMXUQPSSW-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132437122 768859269 /nfs/dbraw/zinc/85/92/69/768859269.db2.gz QGXKKSMXUQPSSW-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132437122 768859284 /nfs/dbraw/zinc/85/92/84/768859284.db2.gz QGXKKSMXUQPSSW-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@@H](C)O2 ZINC001071175521 769100309 /nfs/dbraw/zinc/10/03/09/769100309.db2.gz FWIJRXRUWZLAIK-WBVHZDCISA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071176271 769101840 /nfs/dbraw/zinc/10/18/40/769101840.db2.gz UDMIBBNPKCSOQJ-MAUKXSAKSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071176271 769101845 /nfs/dbraw/zinc/10/18/45/769101845.db2.gz UDMIBBNPKCSOQJ-MAUKXSAKSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071176271 769101850 /nfs/dbraw/zinc/10/18/50/769101850.db2.gz UDMIBBNPKCSOQJ-MAUKXSAKSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887222 769289697 /nfs/dbraw/zinc/28/96/97/769289697.db2.gz CZCFVCDGKAVMAS-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132934108 769333476 /nfs/dbraw/zinc/33/34/76/769333476.db2.gz ZJGBFODKUVXDRN-KBPBESRZSA-N 2 1 318.421 1.057 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132977166 769377941 /nfs/dbraw/zinc/37/79/41/769377941.db2.gz JXTKJFPBCBUCIX-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117674 769509980 /nfs/dbraw/zinc/50/99/80/769509980.db2.gz NIBIFNZXGGMWQY-JKSUJKDBSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887788 770054045 /nfs/dbraw/zinc/05/40/45/770054045.db2.gz DINSIIGZQVMOAF-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887788 770054058 /nfs/dbraw/zinc/05/40/58/770054058.db2.gz DINSIIGZQVMOAF-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887788 770054071 /nfs/dbraw/zinc/05/40/71/770054071.db2.gz DINSIIGZQVMOAF-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049056964 770303848 /nfs/dbraw/zinc/30/38/48/770303848.db2.gz FMXPBEMQKYGQSV-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049056964 770303863 /nfs/dbraw/zinc/30/38/63/770303863.db2.gz FMXPBEMQKYGQSV-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@H]2C1 ZINC001049056964 770303870 /nfs/dbraw/zinc/30/38/70/770303870.db2.gz FMXPBEMQKYGQSV-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089493 770351294 /nfs/dbraw/zinc/35/12/94/770351294.db2.gz QGVMISKHEMZHOY-IYBDPMFKSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089493 770351308 /nfs/dbraw/zinc/35/13/08/770351308.db2.gz QGVMISKHEMZHOY-IYBDPMFKSA-N 2 1 314.433 1.420 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856488 770363593 /nfs/dbraw/zinc/36/35/93/770363593.db2.gz GYACEUALHXUTRG-MRXNPFEDSA-N 2 1 315.433 1.107 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097897 770369465 /nfs/dbraw/zinc/36/94/65/770369465.db2.gz WRAYMDYSFRMTHP-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097897 770369481 /nfs/dbraw/zinc/36/94/81/770369481.db2.gz WRAYMDYSFRMTHP-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097897 770369493 /nfs/dbraw/zinc/36/94/93/770369493.db2.gz WRAYMDYSFRMTHP-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@H]2C1 ZINC001049222889 770565913 /nfs/dbraw/zinc/56/59/13/770565913.db2.gz YEDLZPRPGMZMTP-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222889 770565918 /nfs/dbraw/zinc/56/59/18/770565918.db2.gz YEDLZPRPGMZMTP-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222889 770565924 /nfs/dbraw/zinc/56/59/24/770565924.db2.gz YEDLZPRPGMZMTP-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222889 770565927 /nfs/dbraw/zinc/56/59/27/770565927.db2.gz YEDLZPRPGMZMTP-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222889 770565930 /nfs/dbraw/zinc/56/59/30/770565930.db2.gz YEDLZPRPGMZMTP-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049233694 770579457 /nfs/dbraw/zinc/57/94/57/770579457.db2.gz QARPEHVKYKUAIV-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049233694 770579461 /nfs/dbraw/zinc/57/94/61/770579461.db2.gz QARPEHVKYKUAIV-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049233694 770579468 /nfs/dbraw/zinc/57/94/68/770579468.db2.gz QARPEHVKYKUAIV-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049465616 770885751 /nfs/dbraw/zinc/88/57/51/770885751.db2.gz SSBSBZYULMORHS-GVDBMIGSSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049465616 770885763 /nfs/dbraw/zinc/88/57/63/770885763.db2.gz SSBSBZYULMORHS-GVDBMIGSSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049465616 770885773 /nfs/dbraw/zinc/88/57/73/770885773.db2.gz SSBSBZYULMORHS-GVDBMIGSSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049514378 770959093 /nfs/dbraw/zinc/95/90/93/770959093.db2.gz DFVQPAMQBBCYGO-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049514378 770959098 /nfs/dbraw/zinc/95/90/98/770959098.db2.gz DFVQPAMQBBCYGO-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049514378 770959108 /nfs/dbraw/zinc/95/91/08/770959108.db2.gz DFVQPAMQBBCYGO-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049639354 771042235 /nfs/dbraw/zinc/04/22/35/771042235.db2.gz PJPREWZKKZFMGY-IAGOWNOFSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688105 771088019 /nfs/dbraw/zinc/08/80/19/771088019.db2.gz QRWFFNHYDJYDQT-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768149 771145340 /nfs/dbraw/zinc/14/53/40/771145340.db2.gz UEONBOLPFGRUPQ-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)C2 ZINC001096610740 771303239 /nfs/dbraw/zinc/30/32/39/771303239.db2.gz DBDAYXFMTVIDRE-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001096610740 771303243 /nfs/dbraw/zinc/30/32/43/771303243.db2.gz DBDAYXFMTVIDRE-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096610740 771303247 /nfs/dbraw/zinc/30/32/47/771303247.db2.gz DBDAYXFMTVIDRE-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001096610740 771303255 /nfs/dbraw/zinc/30/32/55/771303255.db2.gz DBDAYXFMTVIDRE-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468807 771526197 /nfs/dbraw/zinc/52/61/97/771526197.db2.gz TXZYXKIGTKFONZ-HOTGVXAUSA-N 2 1 323.481 1.241 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499782 772417813 /nfs/dbraw/zinc/41/78/13/772417813.db2.gz INEXZIGJCKJVNH-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160499782 772417815 /nfs/dbraw/zinc/41/78/15/772417815.db2.gz INEXZIGJCKJVNH-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001171215426 772604730 /nfs/dbraw/zinc/60/47/30/772604730.db2.gz CMRVNEJFGGRPKV-SFHVURJKSA-N 2 1 313.445 1.476 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001149400343 772778671 /nfs/dbraw/zinc/77/86/71/772778671.db2.gz WUCPJKNVDAVECW-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400343 772778672 /nfs/dbraw/zinc/77/86/72/772778672.db2.gz WUCPJKNVDAVECW-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400343 772778673 /nfs/dbraw/zinc/77/86/73/772778673.db2.gz WUCPJKNVDAVECW-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001147884979 773285844 /nfs/dbraw/zinc/28/58/44/773285844.db2.gz IXCYQKWSQOSWSX-AWEZNQCLSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086909902 773711236 /nfs/dbraw/zinc/71/12/36/773711236.db2.gz HONJLTJHGAXPCY-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086957862 773745161 /nfs/dbraw/zinc/74/51/61/773745161.db2.gz XWHUBDGOGINLLS-OAHLLOKOSA-N 2 1 314.433 1.528 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910419 773856514 /nfs/dbraw/zinc/85/65/14/773856514.db2.gz WYVICJTYMHGQIM-QAPCUYQASA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014894 773921848 /nfs/dbraw/zinc/92/18/48/773921848.db2.gz GLQUOJNTZWHCIU-APWZRJJASA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014894 773921854 /nfs/dbraw/zinc/92/18/54/773921854.db2.gz GLQUOJNTZWHCIU-APWZRJJASA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014894 773921860 /nfs/dbraw/zinc/92/18/60/773921860.db2.gz GLQUOJNTZWHCIU-APWZRJJASA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093024993 774356614 /nfs/dbraw/zinc/35/66/14/774356614.db2.gz MKPBBLWCIXNNTF-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024993 774356621 /nfs/dbraw/zinc/35/66/21/774356621.db2.gz MKPBBLWCIXNNTF-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024993 774356629 /nfs/dbraw/zinc/35/66/29/774356629.db2.gz MKPBBLWCIXNNTF-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099123116 774850902 /nfs/dbraw/zinc/85/09/02/774850902.db2.gz SVMQNEYFKMXRLB-YJBOKZPZSA-N 2 1 301.434 1.076 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC)C1 ZINC001099262808 774923586 /nfs/dbraw/zinc/92/35/86/774923586.db2.gz LBKDOWZJOSFAOX-UPJWGTAASA-N 2 1 317.355 1.083 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC)C1 ZINC001099262808 774923587 /nfs/dbraw/zinc/92/35/87/774923587.db2.gz LBKDOWZJOSFAOX-UPJWGTAASA-N 2 1 317.355 1.083 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099311140 774941962 /nfs/dbraw/zinc/94/19/62/774941962.db2.gz YJWBBYXWHPMHLK-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099311140 774941965 /nfs/dbraw/zinc/94/19/65/774941965.db2.gz YJWBBYXWHPMHLK-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099311140 774941968 /nfs/dbraw/zinc/94/19/68/774941968.db2.gz YJWBBYXWHPMHLK-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854730 774943448 /nfs/dbraw/zinc/94/34/48/774943448.db2.gz PXFONRUCJCPGGP-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527995 775018289 /nfs/dbraw/zinc/01/82/89/775018289.db2.gz FQOAHUAMQSVJHE-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100012644 775567972 /nfs/dbraw/zinc/56/79/72/775567972.db2.gz AVQQQAZDSWZNCG-LSDHHAIUSA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100012644 775567978 /nfs/dbraw/zinc/56/79/78/775567978.db2.gz AVQQQAZDSWZNCG-LSDHHAIUSA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100012644 775567985 /nfs/dbraw/zinc/56/79/85/775567985.db2.gz AVQQQAZDSWZNCG-LSDHHAIUSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100033364 775597630 /nfs/dbraw/zinc/59/76/30/775597630.db2.gz DCHNJRVWCPBHOE-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100033364 775597636 /nfs/dbraw/zinc/59/76/36/775597636.db2.gz DCHNJRVWCPBHOE-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896538 776008558 /nfs/dbraw/zinc/00/85/58/776008558.db2.gz QAOUESDTRGXZGJ-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896538 776008571 /nfs/dbraw/zinc/00/85/71/776008571.db2.gz QAOUESDTRGXZGJ-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094577298 776052578 /nfs/dbraw/zinc/05/25/78/776052578.db2.gz FYZZEDOVGNBMAH-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577298 776052582 /nfs/dbraw/zinc/05/25/82/776052582.db2.gz FYZZEDOVGNBMAH-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577298 776052589 /nfs/dbraw/zinc/05/25/89/776052589.db2.gz FYZZEDOVGNBMAH-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001100447074 776168480 /nfs/dbraw/zinc/16/84/80/776168480.db2.gz NQDYUYXGMQJWST-UYSNPLJNSA-N 2 1 309.454 1.158 20 30 DDEDMP C[C@@H](CCCC#N)[N@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001172496184 776801798 /nfs/dbraw/zinc/80/17/98/776801798.db2.gz YKTZGGQWIJBWFM-AWEZNQCLSA-N 2 1 313.409 1.811 20 30 DDEDMP C[C@@H](CCCC#N)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001172496184 776801811 /nfs/dbraw/zinc/80/18/11/776801811.db2.gz YKTZGGQWIJBWFM-AWEZNQCLSA-N 2 1 313.409 1.811 20 30 DDEDMP C[C@H](C[NH3+])C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982274 776952025 /nfs/dbraw/zinc/95/20/25/776952025.db2.gz VUVCKNFMAUGOHK-RDBSUJKOSA-N 2 1 310.442 1.805 20 30 DDEDMP C[C@H](C[NH3+])C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982274 776952029 /nfs/dbraw/zinc/95/20/29/776952029.db2.gz VUVCKNFMAUGOHK-RDBSUJKOSA-N 2 1 310.442 1.805 20 30 DDEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001101521777 777205066 /nfs/dbraw/zinc/20/50/66/777205066.db2.gz AVMPFEQAHOFEMR-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434088 778137938 /nfs/dbraw/zinc/13/79/38/778137938.db2.gz OFQUDKOMEIBZHK-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176590568 778176698 /nfs/dbraw/zinc/17/66/98/778176698.db2.gz BHDVEKQXCWWLAL-HNNXBMFYSA-N 2 1 322.453 1.659 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563516 778183148 /nfs/dbraw/zinc/18/31/48/778183148.db2.gz FLQCMQPJWYXLBC-KBPBESRZSA-N 2 1 301.862 1.955 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001103099511 778638445 /nfs/dbraw/zinc/63/84/45/778638445.db2.gz OJSAIGIKBILLPI-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103099511 778638449 /nfs/dbraw/zinc/63/84/49/778638449.db2.gz OJSAIGIKBILLPI-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC)C[C@H]1C ZINC001103099511 778638450 /nfs/dbraw/zinc/63/84/50/778638450.db2.gz OJSAIGIKBILLPI-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC)C[C@H]1C ZINC001103099511 778638453 /nfs/dbraw/zinc/63/84/53/778638453.db2.gz OJSAIGIKBILLPI-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103436134 778864771 /nfs/dbraw/zinc/86/47/71/778864771.db2.gz LSEFCBKQXKEOCP-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436134 778864776 /nfs/dbraw/zinc/86/47/76/778864776.db2.gz LSEFCBKQXKEOCP-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436134 778864785 /nfs/dbraw/zinc/86/47/85/778864785.db2.gz LSEFCBKQXKEOCP-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103642911 778976402 /nfs/dbraw/zinc/97/64/02/778976402.db2.gz ASALPYJNDMGPNG-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103642911 778976409 /nfs/dbraw/zinc/97/64/09/778976409.db2.gz ASALPYJNDMGPNG-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103642911 778976414 /nfs/dbraw/zinc/97/64/14/778976414.db2.gz ASALPYJNDMGPNG-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722697 779012872 /nfs/dbraw/zinc/01/28/72/779012872.db2.gz ZYLDNUCHPNJNCE-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)OC ZINC001178722360 779139134 /nfs/dbraw/zinc/13/91/34/779139134.db2.gz GVOHEXPSSXBRAI-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@@H](C)OC ZINC001178722360 779139139 /nfs/dbraw/zinc/13/91/39/779139139.db2.gz GVOHEXPSSXBRAI-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033819 779258715 /nfs/dbraw/zinc/25/87/15/779258715.db2.gz IQAIDVSSSHVIQE-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033819 779258718 /nfs/dbraw/zinc/25/87/18/779258718.db2.gz IQAIDVSSSHVIQE-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001179050221 779265083 /nfs/dbraw/zinc/26/50/83/779265083.db2.gz SGYIUMYSZIRGAX-JSGCOSHPSA-N 2 1 306.410 1.505 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266659901 836609069 /nfs/dbraw/zinc/60/90/69/836609069.db2.gz RXIXOJRJSYOWKD-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001266904651 837037221 /nfs/dbraw/zinc/03/72/21/837037221.db2.gz NBATZTCWJSTWHJ-JLOCXQCDSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266904651 837037233 /nfs/dbraw/zinc/03/72/33/837037233.db2.gz NBATZTCWJSTWHJ-JLOCXQCDSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266904651 837037248 /nfs/dbraw/zinc/03/72/48/837037248.db2.gz NBATZTCWJSTWHJ-JLOCXQCDSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC#CC)C(C)C)CC1 ZINC001267340050 837859082 /nfs/dbraw/zinc/85/90/82/837859082.db2.gz BAGOTKOFNIYSOH-UHFFFAOYSA-N 2 1 317.477 1.572 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001272024256 844349087 /nfs/dbraw/zinc/34/90/87/844349087.db2.gz NISNSRPZZAGUIQ-BRWVUGGUSA-N 2 1 323.456 1.755 20 30 DDEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267752739 838857077 /nfs/dbraw/zinc/85/70/77/838857077.db2.gz QFQAZOYVDMNSIU-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267752739 838857091 /nfs/dbraw/zinc/85/70/91/838857091.db2.gz QFQAZOYVDMNSIU-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCC1 ZINC001268040442 839527999 /nfs/dbraw/zinc/52/79/99/839527999.db2.gz KSYROIAJQOMJRX-UHFFFAOYSA-N 2 1 309.454 1.303 20 30 DDEDMP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001268595749 840538205 /nfs/dbraw/zinc/53/82/05/840538205.db2.gz ZWXYHHJLPUSAIF-YQJUVHNHSA-N 2 1 313.445 1.780 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001270234567 842408136 /nfs/dbraw/zinc/40/81/36/842408136.db2.gz SSSUVBCSKNQZQD-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC(N(CC#C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001270364770 842517444 /nfs/dbraw/zinc/51/74/44/842517444.db2.gz URWSRYQAGWWHLU-UHFFFAOYSA-N 2 1 312.417 1.141 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001271044759 843159669 /nfs/dbraw/zinc/15/96/69/843159669.db2.gz WEGQEQCTKITEAE-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001272533979 846283183 /nfs/dbraw/zinc/28/31/83/846283183.db2.gz LRGRGMVEFGSHML-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP N#CCCCN1CC[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273029455 847811226 /nfs/dbraw/zinc/81/12/26/847811226.db2.gz GFRVACXRNCNIGA-KRWDZBQOSA-N 2 1 304.438 1.214 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155227327 861871783 /nfs/dbraw/zinc/87/17/83/861871783.db2.gz ZFLPNWPJZBCKEV-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155227327 861871803 /nfs/dbraw/zinc/87/18/03/861871803.db2.gz ZFLPNWPJZBCKEV-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155227327 861871820 /nfs/dbraw/zinc/87/18/20/861871820.db2.gz ZFLPNWPJZBCKEV-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034287292 848258360 /nfs/dbraw/zinc/25/83/60/848258360.db2.gz GGKXVEAYHCDDJA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034287292 848258366 /nfs/dbraw/zinc/25/83/66/848258366.db2.gz GGKXVEAYHCDDJA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034287292 848258373 /nfs/dbraw/zinc/25/83/73/848258373.db2.gz GGKXVEAYHCDDJA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034287292 848258381 /nfs/dbraw/zinc/25/83/81/848258381.db2.gz GGKXVEAYHCDDJA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444519 848503721 /nfs/dbraw/zinc/50/37/21/848503721.db2.gz HTPOITAKRHXPLM-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149854616 861945698 /nfs/dbraw/zinc/94/56/98/861945698.db2.gz ONPBHIICZPAOEF-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149854616 861945711 /nfs/dbraw/zinc/94/57/11/861945711.db2.gz ONPBHIICZPAOEF-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149854616 861945719 /nfs/dbraw/zinc/94/57/19/861945719.db2.gz ONPBHIICZPAOEF-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150350660 862190423 /nfs/dbraw/zinc/19/04/23/862190423.db2.gz MWWJTHUZYRPOAZ-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559000 862227655 /nfs/dbraw/zinc/22/76/55/862227655.db2.gz IGHJHADSYXLQNV-OAHLLOKOSA-N 2 1 304.438 1.856 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559000 862227676 /nfs/dbraw/zinc/22/76/76/862227676.db2.gz IGHJHADSYXLQNV-OAHLLOKOSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001327539484 862251760 /nfs/dbraw/zinc/25/17/60/862251760.db2.gz AQJLKDAFOCXWMT-GOSISDBHSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327539484 862251773 /nfs/dbraw/zinc/25/17/73/862251773.db2.gz AQJLKDAFOCXWMT-GOSISDBHSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327539484 862251791 /nfs/dbraw/zinc/25/17/91/862251791.db2.gz AQJLKDAFOCXWMT-GOSISDBHSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCn1cc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cn1 ZINC001275381311 853041379 /nfs/dbraw/zinc/04/13/79/853041379.db2.gz QUBPROCRMSULMN-UHFFFAOYSA-N 2 1 317.481 1.529 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(F)cc(C#N)c3)[C@@H]2C1 ZINC001275414086 853089363 /nfs/dbraw/zinc/08/93/63/853089363.db2.gz RFQXYBBSQDJHOF-FUHWJXTLSA-N 2 1 316.424 1.765 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722755 862433961 /nfs/dbraw/zinc/43/39/61/862433961.db2.gz GJLJSFSPJIOAHP-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722755 862433971 /nfs/dbraw/zinc/43/39/71/862433971.db2.gz GJLJSFSPJIOAHP-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001275526318 853281888 /nfs/dbraw/zinc/28/18/88/853281888.db2.gz DYKPALOSKJAYHH-KBPBESRZSA-N 2 1 311.389 1.387 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001155790922 862454841 /nfs/dbraw/zinc/45/48/41/862454841.db2.gz PEHNJSSFWZPUEG-INIZCTEOSA-N 2 1 300.406 1.248 20 30 DDEDMP C=CCOc1ccccc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275708215 853606238 /nfs/dbraw/zinc/60/62/38/853606238.db2.gz NGBHNUXZKMBJCU-UHFFFAOYSA-N 2 1 315.461 1.931 20 30 DDEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001276056796 854683721 /nfs/dbraw/zinc/68/37/21/854683721.db2.gz LBLSLGXRNHNLTK-INIZCTEOSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001276056796 854683727 /nfs/dbraw/zinc/68/37/27/854683727.db2.gz LBLSLGXRNHNLTK-INIZCTEOSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001276200283 854948385 /nfs/dbraw/zinc/94/83/85/854948385.db2.gz NBODZKFNICPJCW-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001276318568 855649916 /nfs/dbraw/zinc/64/99/16/855649916.db2.gz CUBRMMSIQKGOPD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001276318568 855649919 /nfs/dbraw/zinc/64/99/19/855649919.db2.gz CUBRMMSIQKGOPD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001276318568 855649921 /nfs/dbraw/zinc/64/99/21/855649921.db2.gz CUBRMMSIQKGOPD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001328155488 862734027 /nfs/dbraw/zinc/73/40/27/862734027.db2.gz HSDUFQMBGRERRM-JKSUJKDBSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072732004 857648945 /nfs/dbraw/zinc/64/89/45/857648945.db2.gz UNUZETDFHHMTMQ-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072732004 857648950 /nfs/dbraw/zinc/64/89/50/857648950.db2.gz UNUZETDFHHMTMQ-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072732004 857648954 /nfs/dbraw/zinc/64/89/54/857648954.db2.gz UNUZETDFHHMTMQ-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743343 857664888 /nfs/dbraw/zinc/66/48/88/857664888.db2.gz JNIIUPCSTVUJFE-HNNXBMFYSA-N 2 1 323.868 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072743343 857664896 /nfs/dbraw/zinc/66/48/96/857664896.db2.gz JNIIUPCSTVUJFE-HNNXBMFYSA-N 2 1 323.868 1.615 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072827702 857764068 /nfs/dbraw/zinc/76/40/68/857764068.db2.gz VMCHMZOSSPTLBA-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072827702 857764077 /nfs/dbraw/zinc/76/40/77/857764077.db2.gz VMCHMZOSSPTLBA-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072827702 857764082 /nfs/dbraw/zinc/76/40/82/857764082.db2.gz VMCHMZOSSPTLBA-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886175 857844974 /nfs/dbraw/zinc/84/49/74/857844974.db2.gz ISOPHVHQXUKXQF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886175 857844963 /nfs/dbraw/zinc/84/49/63/857844963.db2.gz ISOPHVHQXUKXQF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886175 857844984 /nfs/dbraw/zinc/84/49/84/857844984.db2.gz ISOPHVHQXUKXQF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073025028 858012216 /nfs/dbraw/zinc/01/22/16/858012216.db2.gz BWCOGFPWKBRDMY-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073025028 858012224 /nfs/dbraw/zinc/01/22/24/858012224.db2.gz BWCOGFPWKBRDMY-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC(C)C ZINC001153867674 864180559 /nfs/dbraw/zinc/18/05/59/864180559.db2.gz CXACBTXFXQRWBM-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001153867674 864180569 /nfs/dbraw/zinc/18/05/69/864180569.db2.gz CXACBTXFXQRWBM-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(C)C ZINC001153867674 864180583 /nfs/dbraw/zinc/18/05/83/864180583.db2.gz CXACBTXFXQRWBM-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(C)C ZINC001153867674 864180590 /nfs/dbraw/zinc/18/05/90/864180590.db2.gz CXACBTXFXQRWBM-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCF)CC1 ZINC001158914051 864973179 /nfs/dbraw/zinc/97/31/79/864973179.db2.gz KJAYQYMBQHXWSS-QGZVFWFLSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCF)CC1 ZINC001158914051 864973186 /nfs/dbraw/zinc/97/31/86/864973186.db2.gz KJAYQYMBQHXWSS-QGZVFWFLSA-N 2 1 323.456 1.614 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001332115632 865588118 /nfs/dbraw/zinc/58/81/18/865588118.db2.gz FJDYOHAWLUCEQZ-MJGOQNOKSA-N 2 1 317.477 1.999 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001160209543 865731131 /nfs/dbraw/zinc/73/11/31/865731131.db2.gz PRJOGYAUKRARKC-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CCCCC1 ZINC001160209543 865731141 /nfs/dbraw/zinc/73/11/41/865731141.db2.gz PRJOGYAUKRARKC-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161205296 866441544 /nfs/dbraw/zinc/44/15/44/866441544.db2.gz CMOAECYANQMWNS-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161205296 866441552 /nfs/dbraw/zinc/44/15/52/866441552.db2.gz CMOAECYANQMWNS-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161205296 866441563 /nfs/dbraw/zinc/44/15/63/866441563.db2.gz CMOAECYANQMWNS-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161208093 866442041 /nfs/dbraw/zinc/44/20/41/866442041.db2.gz ZLTFLUVELVTPDV-NVXWUHKLSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161698949 866902719 /nfs/dbraw/zinc/90/27/19/866902719.db2.gz GXGJSSNIRPQRMY-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001324923289 867629361 /nfs/dbraw/zinc/62/93/61/867629361.db2.gz XOHQLFUPALCFMA-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324923289 867629374 /nfs/dbraw/zinc/62/93/74/867629374.db2.gz XOHQLFUPALCFMA-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324923289 867629378 /nfs/dbraw/zinc/62/93/78/867629378.db2.gz XOHQLFUPALCFMA-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP N#CCCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335458594 868313261 /nfs/dbraw/zinc/31/32/61/868313261.db2.gz BPDQOSMNSLQLRW-IYBDPMFKSA-N 2 1 319.453 1.290 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317043023 870154589 /nfs/dbraw/zinc/15/45/89/870154589.db2.gz MTAHQVKJFYHCOU-MRXNPFEDSA-N 2 1 316.449 1.810 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317043023 870154597 /nfs/dbraw/zinc/15/45/97/870154597.db2.gz MTAHQVKJFYHCOU-MRXNPFEDSA-N 2 1 316.449 1.810 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707555 870178102 /nfs/dbraw/zinc/17/81/02/870178102.db2.gz HCCQZOZUMVPOAY-OAHLLOKOSA-N 2 1 320.437 1.052 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317154271 870378027 /nfs/dbraw/zinc/37/80/27/870378027.db2.gz VLHMSWAUVZLOOM-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203729221 870728839 /nfs/dbraw/zinc/72/88/39/870728839.db2.gz DXWPCZCYESADDI-CABCVRRESA-N 2 1 300.406 1.232 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001340089931 870888596 /nfs/dbraw/zinc/88/85/96/870888596.db2.gz HTKJEEXLAGLTBJ-HRCADAONSA-N 2 1 309.454 1.430 20 30 DDEDMP C#CCC[N@H+](CC)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001317488462 870910159 /nfs/dbraw/zinc/91/01/59/870910159.db2.gz YLURFRDXMXASBG-UHFFFAOYSA-N 2 1 318.421 1.345 20 30 DDEDMP C#CCC[N@@H+](CC)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001317488462 870910165 /nfs/dbraw/zinc/91/01/65/870910165.db2.gz YLURFRDXMXASBG-UHFFFAOYSA-N 2 1 318.421 1.345 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001340999838 871460058 /nfs/dbraw/zinc/46/00/58/871460058.db2.gz PLPMPIDJDUIGLG-HNNXBMFYSA-N 2 1 311.470 1.487 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001317761004 871471827 /nfs/dbraw/zinc/47/18/27/871471827.db2.gz CCPJKKDZHNHGGR-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001317761004 871471847 /nfs/dbraw/zinc/47/18/47/871471847.db2.gz CCPJKKDZHNHGGR-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284798 871484144 /nfs/dbraw/zinc/48/41/44/871484144.db2.gz QNQRAIVCJCDSCS-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518709 871603104 /nfs/dbraw/zinc/60/31/04/871603104.db2.gz IJSFUNHPOXFXNW-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205590644 871644551 /nfs/dbraw/zinc/64/45/51/871644551.db2.gz MGBRJZLPMCWLHO-UHFFFAOYSA-N 2 1 318.421 1.201 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317949997 871647492 /nfs/dbraw/zinc/64/74/92/871647492.db2.gz RWJBPTWMDWPAGG-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317949997 871647499 /nfs/dbraw/zinc/64/74/99/871647499.db2.gz RWJBPTWMDWPAGG-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317949997 871647504 /nfs/dbraw/zinc/64/75/04/871647504.db2.gz RWJBPTWMDWPAGG-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001319247375 872518223 /nfs/dbraw/zinc/51/82/23/872518223.db2.gz VYTZMSCZDZOUTB-UKRRQHHQSA-N 2 1 302.422 1.119 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319559476 872693331 /nfs/dbraw/zinc/69/33/31/872693331.db2.gz RUGIXFUKFWHLOZ-QGZVFWFLSA-N 2 1 315.461 1.816 20 30 DDEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001206943438 872817708 /nfs/dbraw/zinc/81/77/08/872817708.db2.gz QXPNQBOPQJYRBZ-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206943438 872817716 /nfs/dbraw/zinc/81/77/16/872817716.db2.gz QXPNQBOPQJYRBZ-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207709558 873493949 /nfs/dbraw/zinc/49/39/49/873493949.db2.gz YNBUKODUJWWGQJ-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001207709558 873493951 /nfs/dbraw/zinc/49/39/51/873493951.db2.gz YNBUKODUJWWGQJ-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001207709558 873493953 /nfs/dbraw/zinc/49/39/53/873493953.db2.gz YNBUKODUJWWGQJ-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001207709558 873493954 /nfs/dbraw/zinc/49/39/54/873493954.db2.gz YNBUKODUJWWGQJ-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)CCc1ccc(C#N)cc1 ZINC001208927362 874530827 /nfs/dbraw/zinc/53/08/27/874530827.db2.gz YNWHNUKAUXAMKW-UHFFFAOYSA-N 2 1 317.433 1.918 20 30 DDEDMP C=CCCC[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001209158995 874698808 /nfs/dbraw/zinc/69/88/08/874698808.db2.gz YLBIVKXZIZMRNQ-UHFFFAOYSA-N 2 1 303.450 1.777 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210144879 875243192 /nfs/dbraw/zinc/24/31/92/875243192.db2.gz AROSWQJCKLFHSB-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269935 875735793 /nfs/dbraw/zinc/73/57/93/875735793.db2.gz VXKVTUADFMJSIU-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP CN(CC[N@@H+](C)Cc1ccc(F)c(C#N)c1)C(=O)CC[NH+](C)C ZINC001379098744 876396376 /nfs/dbraw/zinc/39/63/76/876396376.db2.gz VSEZUJQYFHQFBR-UHFFFAOYSA-N 2 1 320.412 1.539 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc(C(C)C)no1 ZINC000304759139 876577600 /nfs/dbraw/zinc/57/76/00/876577600.db2.gz QUYLJBHJOZIBMA-GFCCVEGCSA-N 2 1 308.430 1.124 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215541262 876745772 /nfs/dbraw/zinc/74/57/72/876745772.db2.gz WQKQOXOBSYYASS-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218631863 877626340 /nfs/dbraw/zinc/62/63/40/877626340.db2.gz YCISIPYGQMSREE-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218631863 877626356 /nfs/dbraw/zinc/62/63/56/877626356.db2.gz YCISIPYGQMSREE-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C1 ZINC001218631863 877626367 /nfs/dbraw/zinc/62/63/67/877626367.db2.gz YCISIPYGQMSREE-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219634385 878407706 /nfs/dbraw/zinc/40/77/06/878407706.db2.gz WFTANQDQCOVLBS-KRWDZBQOSA-N 2 1 311.429 1.238 20 30 DDEDMP C#CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219634385 878407715 /nfs/dbraw/zinc/40/77/15/878407715.db2.gz WFTANQDQCOVLBS-KRWDZBQOSA-N 2 1 311.429 1.238 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223961975 881165361 /nfs/dbraw/zinc/16/53/61/881165361.db2.gz CUORATBTXHWPRH-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223961975 881165363 /nfs/dbraw/zinc/16/53/63/881165363.db2.gz CUORATBTXHWPRH-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223961975 881165370 /nfs/dbraw/zinc/16/53/70/881165370.db2.gz CUORATBTXHWPRH-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230347714 884439486 /nfs/dbraw/zinc/43/94/86/884439486.db2.gz IOQXHFCBHCVUHJ-QZTJIDSGSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230347714 884439506 /nfs/dbraw/zinc/43/95/06/884439506.db2.gz IOQXHFCBHCVUHJ-QZTJIDSGSA-N 2 1 313.445 1.769 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001230614055 884654231 /nfs/dbraw/zinc/65/42/31/884654231.db2.gz VLRWBOHESYCNOP-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835809 884938119 /nfs/dbraw/zinc/93/81/19/884938119.db2.gz WZIJSKILPMCMRK-UHFFFAOYSA-N 2 1 318.465 1.918 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871989 884996746 /nfs/dbraw/zinc/99/67/46/884996746.db2.gz XAUBLDNSJCBDET-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)C[NH+](CC)CC)Cc1cccnc1 ZINC001230871989 884996767 /nfs/dbraw/zinc/99/67/67/884996767.db2.gz XAUBLDNSJCBDET-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001277501697 885442252 /nfs/dbraw/zinc/44/22/52/885442252.db2.gz UUSBLLLSTRVCQZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001277501697 885442261 /nfs/dbraw/zinc/44/22/61/885442261.db2.gz UUSBLLLSTRVCQZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001277501697 885442268 /nfs/dbraw/zinc/44/22/68/885442268.db2.gz UUSBLLLSTRVCQZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C[NH+](C)CCCN1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233387023 886967036 /nfs/dbraw/zinc/96/70/36/886967036.db2.gz QSPLBSHZZPVUKR-UHFFFAOYSA-N 2 1 302.422 1.333 20 30 DDEDMP CN(C)C(=O)C[N@H+]1CCCC2(CC[NH+](CCCC#N)CC2)C1 ZINC001277943559 888628434 /nfs/dbraw/zinc/62/84/34/888628434.db2.gz YUSMHHNIFSYQPA-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278148129 889857518 /nfs/dbraw/zinc/85/75/18/889857518.db2.gz MIVZURXJZBCOAK-QGPMSJSTSA-N 2 1 316.449 1.022 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278148129 889857535 /nfs/dbraw/zinc/85/75/35/889857535.db2.gz MIVZURXJZBCOAK-QGPMSJSTSA-N 2 1 316.449 1.022 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278148129 889857547 /nfs/dbraw/zinc/85/75/47/889857547.db2.gz MIVZURXJZBCOAK-QGPMSJSTSA-N 2 1 316.449 1.022 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278388300 891915392 /nfs/dbraw/zinc/91/53/92/891915392.db2.gz JKQMWDYXIZVHKV-FUHWJXTLSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278388300 891915400 /nfs/dbraw/zinc/91/54/00/891915400.db2.gz JKQMWDYXIZVHKV-FUHWJXTLSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278388300 891915411 /nfs/dbraw/zinc/91/54/11/891915411.db2.gz JKQMWDYXIZVHKV-FUHWJXTLSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001278388300 891915420 /nfs/dbraw/zinc/91/54/20/891915420.db2.gz JKQMWDYXIZVHKV-FUHWJXTLSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246063285 892392618 /nfs/dbraw/zinc/39/26/18/892392618.db2.gz IHHMLPDVORDFID-KRWDZBQOSA-N 2 1 316.445 1.687 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCF)CC1 ZINC001278610643 894489166 /nfs/dbraw/zinc/48/91/66/894489166.db2.gz FFYSWLQYTBLGLW-INIZCTEOSA-N 2 1 323.456 1.662 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCCF)CC1 ZINC001278610643 894489172 /nfs/dbraw/zinc/48/91/72/894489172.db2.gz FFYSWLQYTBLGLW-INIZCTEOSA-N 2 1 323.456 1.662 20 30 DDEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252463042 895173277 /nfs/dbraw/zinc/17/32/77/895173277.db2.gz KZKAMSLHFDGUTJ-XHSDSOJGSA-N 2 1 322.474 1.675 20 30 DDEDMP C=CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252463042 895173284 /nfs/dbraw/zinc/17/32/84/895173284.db2.gz KZKAMSLHFDGUTJ-XHSDSOJGSA-N 2 1 322.474 1.675 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252463042 895173291 /nfs/dbraw/zinc/17/32/91/895173291.db2.gz KZKAMSLHFDGUTJ-XHSDSOJGSA-N 2 1 322.474 1.675 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252463042 895173296 /nfs/dbraw/zinc/17/32/96/895173296.db2.gz KZKAMSLHFDGUTJ-XHSDSOJGSA-N 2 1 322.474 1.675 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(C#N)c1 ZINC001367282792 896338690 /nfs/dbraw/zinc/33/86/90/896338690.db2.gz DFOCTESXSFQTRW-PBHICJAKSA-N 2 1 314.433 1.352 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C2 ZINC001256194441 897306281 /nfs/dbraw/zinc/30/62/81/897306281.db2.gz AHJICXYXQYFAIK-MRXNPFEDSA-N 2 1 301.434 1.575 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367692779 897482642 /nfs/dbraw/zinc/48/26/42/897482642.db2.gz PTTCBDRAANVJRS-PBHICJAKSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CC[N@@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)CCOC ZINC001279048507 897953665 /nfs/dbraw/zinc/95/36/65/897953665.db2.gz CIZLCIZDUZXGRT-HNNXBMFYSA-N 2 1 320.437 1.005 20 30 DDEDMP C=CC[N@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)CCOC ZINC001279048507 897953673 /nfs/dbraw/zinc/95/36/73/897953673.db2.gz CIZLCIZDUZXGRT-HNNXBMFYSA-N 2 1 320.437 1.005 20 30 DDEDMP Cc1[nH+]ccn1CCCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001262035556 899905758 /nfs/dbraw/zinc/90/57/58/899905758.db2.gz NLFGLTOSKZHMMJ-CKDBGZEDSA-N 2 1 315.421 1.227 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001264029406 900883058 /nfs/dbraw/zinc/88/30/58/900883058.db2.gz CRLIKNJXGNTPHV-OWCLPIDISA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCCC)C1 ZINC001264394020 901082811 /nfs/dbraw/zinc/08/28/11/901082811.db2.gz SLYIEEKEFJPLSV-BBWFWOEESA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCCC)C1 ZINC001264394020 901082818 /nfs/dbraw/zinc/08/28/18/901082818.db2.gz SLYIEEKEFJPLSV-BBWFWOEESA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001264521256 901166797 /nfs/dbraw/zinc/16/67/97/901166797.db2.gz XDIVYAYQLCVWBK-WBVHZDCISA-N 2 1 316.449 1.822 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001265786546 902408394 /nfs/dbraw/zinc/40/83/94/902408394.db2.gz PJQSDSQMUKNHIK-AEFFLSMTSA-N 2 1 313.445 1.687 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC001265786546 902408397 /nfs/dbraw/zinc/40/83/97/902408397.db2.gz PJQSDSQMUKNHIK-AEFFLSMTSA-N 2 1 313.445 1.687 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001391714651 902425724 /nfs/dbraw/zinc/42/57/24/902425724.db2.gz AYJIYGYPAUQKBA-IHRRRGAJSA-N 2 1 301.862 1.954 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391958950 902984907 /nfs/dbraw/zinc/98/49/07/902984907.db2.gz FWGZCBUVZOCLNJ-HNNXBMFYSA-N 2 1 316.449 1.740 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391960607 902990684 /nfs/dbraw/zinc/99/06/84/902990684.db2.gz LDSXQDWONAPGIV-PBHICJAKSA-N 2 1 314.433 1.352 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001279587889 903338373 /nfs/dbraw/zinc/33/83/73/903338373.db2.gz OQVSNUOWVWUOGF-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001280363008 903608755 /nfs/dbraw/zinc/60/87/55/903608755.db2.gz REBVDGMSDFASHC-ULQDDVLXSA-N 2 1 305.466 1.757 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392611987 904608783 /nfs/dbraw/zinc/60/87/83/904608783.db2.gz DSNLIANVVFAVPQ-XJKSGUPXSA-N 2 1 300.406 1.104 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001371310398 904674286 /nfs/dbraw/zinc/67/42/86/904674286.db2.gz LJOLUBAHOLOQJB-XJKSGUPXSA-N 2 1 300.406 1.247 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001281672680 905148077 /nfs/dbraw/zinc/14/80/77/905148077.db2.gz BHAQGPVGJGFYEE-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001282011015 905404644 /nfs/dbraw/zinc/40/46/44/905404644.db2.gz VJJSHLMUBNWUDW-QQFBHYJXSA-N 2 1 316.449 1.904 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001282873007 906133756 /nfs/dbraw/zinc/13/37/56/906133756.db2.gz DFZTZZVNJVLVGR-PHZGNYQRSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283754173 907905284 /nfs/dbraw/zinc/90/52/84/907905284.db2.gz AZRGIVHGMQHDRB-CVEARBPZSA-N 2 1 323.481 1.284 20 30 DDEDMP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2)[NH+](C)C ZINC001284070873 908426157 /nfs/dbraw/zinc/42/61/57/908426157.db2.gz KGVHXWLYIAGESC-JFIYKMOQSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCOC)C(C)(C)C ZINC001284597957 909231177 /nfs/dbraw/zinc/23/11/77/909231177.db2.gz KMLLOYQMPBWQTP-JKSUJKDBSA-N 2 1 323.481 1.241 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCOC)C(C)(C)C ZINC001284597957 909231191 /nfs/dbraw/zinc/23/11/91/909231191.db2.gz KMLLOYQMPBWQTP-JKSUJKDBSA-N 2 1 323.481 1.241 20 30 DDEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001284985138 909882979 /nfs/dbraw/zinc/88/29/79/909882979.db2.gz CKZNQHLXIWDJAM-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001284985138 909882994 /nfs/dbraw/zinc/88/29/94/909882994.db2.gz CKZNQHLXIWDJAM-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001284985138 909883005 /nfs/dbraw/zinc/88/30/05/909883005.db2.gz CKZNQHLXIWDJAM-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001284985138 909883021 /nfs/dbraw/zinc/88/30/21/909883021.db2.gz CKZNQHLXIWDJAM-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001376743680 919237136 /nfs/dbraw/zinc/23/71/36/919237136.db2.gz USNSEOCDJQCQOC-CQSZACIVSA-N 2 1 314.433 1.637 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCCC#N ZINC000594259703 356156201 /nfs/dbraw/zinc/15/62/01/356156201.db2.gz DDFLYRXEKQKKJM-INIZCTEOSA-N 2 1 308.470 1.945 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000594442658 356217340 /nfs/dbraw/zinc/21/73/40/356217340.db2.gz HMAMIMOAAVYGMH-BHYGNILZSA-N 2 1 318.465 1.873 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507790 356524300 /nfs/dbraw/zinc/52/43/00/356524300.db2.gz QUIXMDSSYBNRSP-NXHRZFHOSA-N 2 1 320.481 1.847 20 30 DDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598720619 357703340 /nfs/dbraw/zinc/70/33/40/357703340.db2.gz PYOSTGOWLSWHHQ-MRXNPFEDSA-N 2 1 311.470 1.766 20 30 DDEDMP C[N@@H+](CCCn1ccnc1)C[C@H](O)COc1ccccc1C#N ZINC000599338530 357899946 /nfs/dbraw/zinc/89/99/46/357899946.db2.gz UTEUAOMFKFHIBF-INIZCTEOSA-N 2 1 314.389 1.517 20 30 DDEDMP C[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602524999 359026361 /nfs/dbraw/zinc/02/63/61/359026361.db2.gz PQLKYPGQPUFTCH-DOTOQJQBSA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602524999 359026364 /nfs/dbraw/zinc/02/63/64/359026364.db2.gz PQLKYPGQPUFTCH-DOTOQJQBSA-N 2 1 314.433 1.740 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609133564 360263606 /nfs/dbraw/zinc/26/36/06/360263606.db2.gz VTIALNAZLKDSEX-CQSZACIVSA-N 2 1 324.469 1.439 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000125168586 407381090 /nfs/dbraw/zinc/38/10/90/407381090.db2.gz ZEGHZSALBMDYQQ-HOCLYGCPSA-N 2 1 320.481 1.951 20 30 DDEDMP Cc1nccn1CCC[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000136309059 408095032 /nfs/dbraw/zinc/09/50/32/408095032.db2.gz SKMPPXQKFMVGAY-MRXNPFEDSA-N 2 1 303.410 1.322 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000136309059 408095044 /nfs/dbraw/zinc/09/50/44/408095044.db2.gz SKMPPXQKFMVGAY-MRXNPFEDSA-N 2 1 303.410 1.322 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000268690885 408157988 /nfs/dbraw/zinc/15/79/88/408157988.db2.gz HDHFRLATCBPFQP-GOSISDBHSA-N 2 1 312.461 1.939 20 30 DDEDMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000192869938 408663922 /nfs/dbraw/zinc/66/39/22/408663922.db2.gz VSKJFAPBQSSMHO-UHFFFAOYSA-N 2 1 300.406 1.913 20 30 DDEDMP C=C(C)COc1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)ccc1OC ZINC000358176604 410394462 /nfs/dbraw/zinc/39/44/62/410394462.db2.gz WWWWPKUPHSALHB-SFHVURJKSA-N 2 1 320.433 1.806 20 30 DDEDMP C=C(C)COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1OC ZINC000358176604 410394472 /nfs/dbraw/zinc/39/44/72/410394472.db2.gz WWWWPKUPHSALHB-SFHVURJKSA-N 2 1 320.433 1.806 20 30 DDEDMP C=C(C)COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1OC ZINC000358176604 410394479 /nfs/dbraw/zinc/39/44/79/410394479.db2.gz WWWWPKUPHSALHB-SFHVURJKSA-N 2 1 320.433 1.806 20 30 DDEDMP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329913915 533679014 /nfs/dbraw/zinc/67/90/14/533679014.db2.gz XQSJHDNEJUJEGT-HUUCEWRRSA-N 2 1 319.453 1.681 20 30 DDEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329913915 533679025 /nfs/dbraw/zinc/67/90/25/533679025.db2.gz XQSJHDNEJUJEGT-HUUCEWRRSA-N 2 1 319.453 1.681 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)C1=O ZINC000652363762 422979005 /nfs/dbraw/zinc/97/90/05/422979005.db2.gz MYKQOKQZVCDOCI-XUWVNRHRSA-N 2 1 307.438 1.134 20 30 DDEDMP CC[C@@H]1CN(C(NC[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C)CCS1 ZINC000261995559 222268060 /nfs/dbraw/zinc/26/80/60/222268060.db2.gz SURSGDFUILKHOM-DZGCQCFKSA-N 2 1 310.511 1.874 20 30 DDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N(C)Cc1cc(Cl)cn1C ZINC000261730564 222256044 /nfs/dbraw/zinc/25/60/44/222256044.db2.gz JKEFPFYGYHYYDV-CYBMUJFWSA-N 2 1 311.861 1.780 20 30 DDEDMP C[NH+]=C(NCc1c(C)noc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261947074 222263673 /nfs/dbraw/zinc/26/36/73/222263673.db2.gz GGVLFHSJQGQTPK-MEBBXXQBSA-N 2 1 305.426 1.439 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCSCC1 ZINC000261969682 222264388 /nfs/dbraw/zinc/26/43/88/222264388.db2.gz CSZIGBKNGNZTAF-UHFFFAOYSA-N 2 1 304.463 1.408 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)N1CCSCC1 ZINC000261969682 222264390 /nfs/dbraw/zinc/26/43/90/222264390.db2.gz CSZIGBKNGNZTAF-UHFFFAOYSA-N 2 1 304.463 1.408 20 30 DDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000264136757 222323613 /nfs/dbraw/zinc/32/36/13/222323613.db2.gz ZXOPCJNIBPBNCG-CQSZACIVSA-N 2 1 322.428 1.556 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(C)cc1 ZINC000264135462 222324397 /nfs/dbraw/zinc/32/43/97/222324397.db2.gz ZPATZHJZKXCALZ-HZPDHXFCSA-N 2 1 304.438 1.417 20 30 DDEDMP C[C@H]1C[NH+]=C(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)N1 ZINC000262646011 222287974 /nfs/dbraw/zinc/28/79/74/222287974.db2.gz JBVYFMXNQUVSQH-UONOGXRCSA-N 2 1 302.422 1.345 20 30 DDEDMP C[C@H]1C[NH+]=C(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)N1 ZINC000262646011 222287978 /nfs/dbraw/zinc/28/79/78/222287978.db2.gz JBVYFMXNQUVSQH-UONOGXRCSA-N 2 1 302.422 1.345 20 30 DDEDMP C=CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264072950 222312869 /nfs/dbraw/zinc/31/28/69/222312869.db2.gz DQIMHLUYQPDFGT-AWEZNQCLSA-N 2 1 302.422 1.498 20 30 DDEDMP C=CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264072950 222312871 /nfs/dbraw/zinc/31/28/71/222312871.db2.gz DQIMHLUYQPDFGT-AWEZNQCLSA-N 2 1 302.422 1.498 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)cc1 ZINC000264080932 222313885 /nfs/dbraw/zinc/31/38/85/222313885.db2.gz HIYCFPBPWHLZRH-UHFFFAOYSA-N 2 1 305.426 1.059 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370710175 418747580 /nfs/dbraw/zinc/74/75/80/418747580.db2.gz SYBCSBHNVYIOOB-UHFFFAOYSA-N 2 1 305.466 1.995 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000378525730 418723900 /nfs/dbraw/zinc/72/39/00/418723900.db2.gz HNLWVAHJRCJEJR-HOCLYGCPSA-N 2 1 306.454 1.372 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000365180245 418841967 /nfs/dbraw/zinc/84/19/67/418841967.db2.gz DHSJVMTYDIQNEB-SJORKVTESA-N 2 1 320.481 1.953 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000421328105 419569071 /nfs/dbraw/zinc/56/90/71/419569071.db2.gz RUMQWGPFAPWLIT-OAHLLOKOSA-N 2 1 318.396 1.374 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000421328105 419569077 /nfs/dbraw/zinc/56/90/77/419569077.db2.gz RUMQWGPFAPWLIT-OAHLLOKOSA-N 2 1 318.396 1.374 20 30 DDEDMP C=CCc1cc(C[NH2+]CC2([NH3+])CCOCC2)cc(OC)c1O ZINC000629388614 422644165 /nfs/dbraw/zinc/64/41/65/422644165.db2.gz QAVIQNYJYOWSII-UHFFFAOYSA-N 2 1 306.406 1.727 20 30 DDEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])N(C)C2CC2)[C@@H]1c1ccccc1 ZINC000284940020 276207397 /nfs/dbraw/zinc/20/73/97/276207397.db2.gz DDQRWFNFAKZONY-IRXDYDNUSA-N 2 1 316.449 1.857 20 30 DDEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])N(C)C2CC2)[C@@H]1c1ccccc1 ZINC000284940020 276207398 /nfs/dbraw/zinc/20/73/98/276207398.db2.gz DDQRWFNFAKZONY-IRXDYDNUSA-N 2 1 316.449 1.857 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424164537 533790408 /nfs/dbraw/zinc/79/04/08/533790408.db2.gz ZOMANBIHYSFGTP-QLFBSQMISA-N 2 1 308.470 1.880 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000347026078 526593734 /nfs/dbraw/zinc/59/37/34/526593734.db2.gz GFFIHWZOJMJSDC-MRXNPFEDSA-N 2 1 324.469 1.047 20 30 DDEDMP C=CCOCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000339036654 526770162 /nfs/dbraw/zinc/77/01/62/526770162.db2.gz ZSMQDKUMHXQFIX-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000491382837 526803650 /nfs/dbraw/zinc/80/36/50/526803650.db2.gz JSHJJUMNRNJOEG-UHFFFAOYSA-N 2 1 302.422 1.307 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000491689207 526813930 /nfs/dbraw/zinc/81/39/30/526813930.db2.gz HHPMFBKWOYQPPA-JKSUJKDBSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000491689207 526813937 /nfs/dbraw/zinc/81/39/37/526813937.db2.gz HHPMFBKWOYQPPA-JKSUJKDBSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000491689207 526813944 /nfs/dbraw/zinc/81/39/44/526813944.db2.gz HHPMFBKWOYQPPA-JKSUJKDBSA-N 2 1 308.470 1.361 20 30 DDEDMP C#C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000491682189 527260434 /nfs/dbraw/zinc/26/04/34/527260434.db2.gz QHDQBWDEVKKQRI-MRXNPFEDSA-N 2 1 318.396 1.336 20 30 DDEDMP CC[NH+](CC#CC[N@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000341884993 527878994 /nfs/dbraw/zinc/87/89/94/527878994.db2.gz RXGJHZDWWITWIV-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CC[NH+](CC#CC[N@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000341884993 527878999 /nfs/dbraw/zinc/87/89/99/527878999.db2.gz RXGJHZDWWITWIV-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CC[NH+](CC#CC[N@@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000341884993 527879002 /nfs/dbraw/zinc/87/90/02/527879002.db2.gz RXGJHZDWWITWIV-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980244200 696717111 /nfs/dbraw/zinc/71/71/11/696717111.db2.gz XZMGOMDGKPQDKH-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980244200 696717113 /nfs/dbraw/zinc/71/71/13/696717113.db2.gz XZMGOMDGKPQDKH-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC000971704521 695068942 /nfs/dbraw/zinc/06/89/42/695068942.db2.gz SGLLRJOITUDKQZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC000971704521 695068944 /nfs/dbraw/zinc/06/89/44/695068944.db2.gz SGLLRJOITUDKQZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC2CC2)C1 ZINC000971704521 695068947 /nfs/dbraw/zinc/06/89/47/695068947.db2.gz SGLLRJOITUDKQZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC2CC2)C1 ZINC000971704521 695068950 /nfs/dbraw/zinc/06/89/50/695068950.db2.gz SGLLRJOITUDKQZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179730 695169900 /nfs/dbraw/zinc/16/99/00/695169900.db2.gz PXIAXBHHPYSDBN-HOCLYGCPSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179730 695169903 /nfs/dbraw/zinc/16/99/03/695169903.db2.gz PXIAXBHHPYSDBN-HOCLYGCPSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975040075 695782519 /nfs/dbraw/zinc/78/25/19/695782519.db2.gz PBWUNFVJHVECSA-HOCLYGCPSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975040075 695782520 /nfs/dbraw/zinc/78/25/20/695782520.db2.gz PBWUNFVJHVECSA-HOCLYGCPSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000978280748 696357511 /nfs/dbraw/zinc/35/75/11/696357511.db2.gz KCATXYPVCXAPIO-FJIDUMEYSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000978280748 696357514 /nfs/dbraw/zinc/35/75/14/696357514.db2.gz KCATXYPVCXAPIO-FJIDUMEYSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC000978280748 696357518 /nfs/dbraw/zinc/35/75/18/696357518.db2.gz KCATXYPVCXAPIO-FJIDUMEYSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC3CC3)C[C@H]21 ZINC000978280748 696357521 /nfs/dbraw/zinc/35/75/21/696357521.db2.gz KCATXYPVCXAPIO-FJIDUMEYSA-N 2 1 315.461 1.178 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978912650 696475150 /nfs/dbraw/zinc/47/51/50/696475150.db2.gz WWEMIBKBDWYBGE-OSYLJGHBSA-N 2 1 305.466 1.587 20 30 DDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)C1 ZINC000104172402 696619429 /nfs/dbraw/zinc/61/94/29/696619429.db2.gz WUJUGDDXNUKLMU-GFCCVEGCSA-N 2 1 306.410 1.772 20 30 DDEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982148820 697042282 /nfs/dbraw/zinc/04/22/82/697042282.db2.gz XRIYRPBRUJDQSS-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982148820 697042284 /nfs/dbraw/zinc/04/22/84/697042284.db2.gz XRIYRPBRUJDQSS-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982148820 697042285 /nfs/dbraw/zinc/04/22/85/697042285.db2.gz XRIYRPBRUJDQSS-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981525859 697118757 /nfs/dbraw/zinc/11/87/57/697118757.db2.gz TUMGPIQWWJCQJK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981525859 697118758 /nfs/dbraw/zinc/11/87/58/697118758.db2.gz TUMGPIQWWJCQJK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981525859 697118759 /nfs/dbraw/zinc/11/87/59/697118759.db2.gz TUMGPIQWWJCQJK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553093 697149189 /nfs/dbraw/zinc/14/91/89/697149189.db2.gz HJLMFGYUUKQUON-OGWHTMIXSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553093 697149190 /nfs/dbraw/zinc/14/91/90/697149190.db2.gz HJLMFGYUUKQUON-OGWHTMIXSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553093 697149191 /nfs/dbraw/zinc/14/91/91/697149191.db2.gz HJLMFGYUUKQUON-OGWHTMIXSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432414 697510497 /nfs/dbraw/zinc/51/04/97/697510497.db2.gz FNIWMQNFKGFAIA-KRWDZBQOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000985694788 697557876 /nfs/dbraw/zinc/55/78/76/697557876.db2.gz OHNZHHQIVGPIKD-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000985694788 697557877 /nfs/dbraw/zinc/55/78/77/697557877.db2.gz OHNZHHQIVGPIKD-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000985694788 697557878 /nfs/dbraw/zinc/55/78/78/697557878.db2.gz OHNZHHQIVGPIKD-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800549 697576472 /nfs/dbraw/zinc/57/64/72/697576472.db2.gz IGKQFALKTFUYLS-GOSISDBHSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800549 697576475 /nfs/dbraw/zinc/57/64/75/697576475.db2.gz IGKQFALKTFUYLS-GOSISDBHSA-N 2 1 313.445 1.845 20 30 DDEDMP COc1cccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)c1 ZINC000303972766 698611936 /nfs/dbraw/zinc/61/19/36/698611936.db2.gz GEXZNWHRRQYNSR-UHFFFAOYSA-N 2 1 319.453 1.449 20 30 DDEDMP COc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000303972766 698611939 /nfs/dbraw/zinc/61/19/39/698611939.db2.gz GEXZNWHRRQYNSR-UHFFFAOYSA-N 2 1 319.453 1.449 20 30 DDEDMP COc1cccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)c1 ZINC000303972766 698611941 /nfs/dbraw/zinc/61/19/41/698611941.db2.gz GEXZNWHRRQYNSR-UHFFFAOYSA-N 2 1 319.453 1.449 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000781396056 698614426 /nfs/dbraw/zinc/61/44/26/698614426.db2.gz DLRNRLVSALWIJJ-RYRKJORJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000781396056 698614432 /nfs/dbraw/zinc/61/44/32/698614432.db2.gz DLRNRLVSALWIJJ-RYRKJORJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781396056 698614435 /nfs/dbraw/zinc/61/44/35/698614435.db2.gz DLRNRLVSALWIJJ-RYRKJORJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781396056 698614439 /nfs/dbraw/zinc/61/44/39/698614439.db2.gz DLRNRLVSALWIJJ-RYRKJORJSA-N 2 1 317.477 1.853 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)ccc1O ZINC000304739509 698623737 /nfs/dbraw/zinc/62/37/37/698623737.db2.gz BGTMJDOOFXRNMI-CYBMUJFWSA-N 2 1 306.410 1.289 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764444142 700971050 /nfs/dbraw/zinc/97/10/50/700971050.db2.gz ORPSVQJDLFHMMJ-XHSDSOJGSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764444142 700971051 /nfs/dbraw/zinc/97/10/51/700971051.db2.gz ORPSVQJDLFHMMJ-XHSDSOJGSA-N 2 1 309.454 1.204 20 30 DDEDMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCCC#N)CC1)CC1CC1 ZINC000771476322 701321124 /nfs/dbraw/zinc/32/11/24/701321124.db2.gz YQVCZLQMICGALQ-UHFFFAOYSA-N 2 1 320.481 1.850 20 30 DDEDMP C=CCN1CCN(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000839999128 701902150 /nfs/dbraw/zinc/90/21/50/701902150.db2.gz KHTFAXXNQMDCLA-UHFFFAOYSA-N 2 1 306.454 1.675 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000852889484 704162555 /nfs/dbraw/zinc/16/25/55/704162555.db2.gz RJEVXVHNPHZFFK-WMZOPIPTSA-N 2 1 315.461 1.465 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000876755239 705858919 /nfs/dbraw/zinc/85/89/19/705858919.db2.gz UDRXZYHZESJYID-SJLPKXTDSA-N 2 1 324.428 1.346 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000876755239 705858920 /nfs/dbraw/zinc/85/89/20/705858920.db2.gz UDRXZYHZESJYID-SJLPKXTDSA-N 2 1 324.428 1.346 20 30 DDEDMP C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CCN1c1cc[nH+]cc1 ZINC000880260071 706924150 /nfs/dbraw/zinc/92/41/50/706924150.db2.gz NAYHKVHPWUCFFP-OAHLLOKOSA-N 2 1 315.421 1.354 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+](CC)CCC)C1 ZINC000884366912 708265408 /nfs/dbraw/zinc/26/54/08/708265408.db2.gz MDJMEZKIDBIRBT-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+](CC)CCC)C1 ZINC000884366912 708265410 /nfs/dbraw/zinc/26/54/10/708265410.db2.gz MDJMEZKIDBIRBT-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](CC)CCC)C1 ZINC000884366912 708265412 /nfs/dbraw/zinc/26/54/12/708265412.db2.gz MDJMEZKIDBIRBT-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](CC)CCC)C1 ZINC000884366912 708265414 /nfs/dbraw/zinc/26/54/14/708265414.db2.gz MDJMEZKIDBIRBT-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886288785 708736237 /nfs/dbraw/zinc/73/62/37/708736237.db2.gz HFBHGEWTESGPEN-HZPDHXFCSA-N 2 1 309.454 1.474 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886288785 708736238 /nfs/dbraw/zinc/73/62/38/708736238.db2.gz HFBHGEWTESGPEN-HZPDHXFCSA-N 2 1 309.454 1.474 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000928101497 713130981 /nfs/dbraw/zinc/13/09/81/713130981.db2.gz YSPOXMVQCCCHNL-HZPDHXFCSA-N 2 1 321.490 1.028 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000900909248 709823087 /nfs/dbraw/zinc/82/30/87/709823087.db2.gz OQFAMTCLHZUMKX-UHFFFAOYSA-N 2 1 318.421 1.633 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000890370878 709843325 /nfs/dbraw/zinc/84/33/25/709843325.db2.gz IAXKPEPFPIVQNF-JYJNAYRXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000890370878 709843329 /nfs/dbraw/zinc/84/33/29/709843329.db2.gz IAXKPEPFPIVQNF-JYJNAYRXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000890370878 709843334 /nfs/dbraw/zinc/84/33/34/709843334.db2.gz IAXKPEPFPIVQNF-JYJNAYRXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000890370878 709843339 /nfs/dbraw/zinc/84/33/39/709843339.db2.gz IAXKPEPFPIVQNF-JYJNAYRXSA-N 2 1 306.454 1.208 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000901160748 709951379 /nfs/dbraw/zinc/95/13/79/709951379.db2.gz YUYCILMZKMVFHZ-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cncc(C#N)c2)C1 ZINC000902324405 710717381 /nfs/dbraw/zinc/71/73/81/710717381.db2.gz KJORBHWFAXOFKQ-CQSZACIVSA-N 2 1 303.366 1.061 20 30 DDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cncc(C#N)c2)C1 ZINC000902324405 710717385 /nfs/dbraw/zinc/71/73/85/710717385.db2.gz KJORBHWFAXOFKQ-CQSZACIVSA-N 2 1 303.366 1.061 20 30 DDEDMP C=C(C)CNC(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)=[NH+]C(C)(C)C ZINC000912499602 711353456 /nfs/dbraw/zinc/35/34/56/711353456.db2.gz UZPSMRSFNUNGAN-HUUCEWRRSA-N 2 1 308.470 1.759 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963800074 717909425 /nfs/dbraw/zinc/90/94/25/717909425.db2.gz FDJSRTRFQVDXRY-OIJFSCQUSA-N 2 1 315.461 1.511 20 30 DDEDMP COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931437119 714097857 /nfs/dbraw/zinc/09/78/57/714097857.db2.gz AHMOCYYUZWKJKS-JKSUJKDBSA-N 2 1 315.417 1.829 20 30 DDEDMP COc1cc(C#N)ccc1OCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931437119 714097861 /nfs/dbraw/zinc/09/78/61/714097861.db2.gz AHMOCYYUZWKJKS-JKSUJKDBSA-N 2 1 315.417 1.829 20 30 DDEDMP COc1cc(C#N)ccc1OCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931437119 714097865 /nfs/dbraw/zinc/09/78/65/714097865.db2.gz AHMOCYYUZWKJKS-JKSUJKDBSA-N 2 1 315.417 1.829 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926125526 715009665 /nfs/dbraw/zinc/00/96/65/715009665.db2.gz JRABHAWXUMFIDG-CQSZACIVSA-N 2 1 310.463 2.000 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926489288 715075662 /nfs/dbraw/zinc/07/56/62/715075662.db2.gz GAKSMNGNQZTWGB-WMZOPIPTSA-N 2 1 302.466 1.984 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926489288 715075665 /nfs/dbraw/zinc/07/56/65/715075665.db2.gz GAKSMNGNQZTWGB-WMZOPIPTSA-N 2 1 302.466 1.984 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960277416 716477883 /nfs/dbraw/zinc/47/78/83/716477883.db2.gz CSAWMAJPJCGSMD-LISAXSMJSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960277416 716477885 /nfs/dbraw/zinc/47/78/85/716477885.db2.gz CSAWMAJPJCGSMD-LISAXSMJSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC000960277416 716477886 /nfs/dbraw/zinc/47/78/86/716477886.db2.gz CSAWMAJPJCGSMD-LISAXSMJSA-N 2 1 303.450 1.319 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960721981 716668713 /nfs/dbraw/zinc/66/87/13/716668713.db2.gz LDXANUAGSKRPDN-VVLHAWIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960721981 716668714 /nfs/dbraw/zinc/66/87/14/716668714.db2.gz LDXANUAGSKRPDN-VVLHAWIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960721981 716668715 /nfs/dbraw/zinc/66/87/15/716668715.db2.gz LDXANUAGSKRPDN-VVLHAWIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC000961138299 716829472 /nfs/dbraw/zinc/82/94/72/716829472.db2.gz AYZDRKZZVJJMFO-FVQHAEBGSA-N 2 1 310.401 1.961 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279440 716892843 /nfs/dbraw/zinc/89/28/43/716892843.db2.gz DNBRMJVVTMUOGZ-SJORKVTESA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279440 716892848 /nfs/dbraw/zinc/89/28/48/716892848.db2.gz DNBRMJVVTMUOGZ-SJORKVTESA-N 2 1 314.433 1.385 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279523 716892877 /nfs/dbraw/zinc/89/28/77/716892877.db2.gz FCLOPYICIGVCGU-DLBZAZTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279523 716892881 /nfs/dbraw/zinc/89/28/81/716892881.db2.gz FCLOPYICIGVCGU-DLBZAZTESA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=C)C)CC1(C)C ZINC000940807488 716969987 /nfs/dbraw/zinc/96/99/87/716969987.db2.gz QLBBOQPCAPGPQY-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(=C)C)CC1(C)C ZINC000940807488 716969988 /nfs/dbraw/zinc/96/99/88/716969988.db2.gz QLBBOQPCAPGPQY-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=C)C)CC1(C)C ZINC000940807488 716969992 /nfs/dbraw/zinc/96/99/92/716969992.db2.gz QLBBOQPCAPGPQY-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC(=C)C)CC1(C)C ZINC000940807488 716969995 /nfs/dbraw/zinc/96/99/95/716969995.db2.gz QLBBOQPCAPGPQY-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941231756 717135273 /nfs/dbraw/zinc/13/52/73/717135273.db2.gz WCCTZGAAVOEVMO-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231756 717135276 /nfs/dbraw/zinc/13/52/76/717135276.db2.gz WCCTZGAAVOEVMO-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231756 717135277 /nfs/dbraw/zinc/13/52/77/717135277.db2.gz WCCTZGAAVOEVMO-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231756 717135278 /nfs/dbraw/zinc/13/52/78/717135278.db2.gz WCCTZGAAVOEVMO-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231756 717135279 /nfs/dbraw/zinc/13/52/79/717135279.db2.gz WCCTZGAAVOEVMO-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961761288 717197536 /nfs/dbraw/zinc/19/75/36/717197536.db2.gz BFYWCEVYCSVTRE-CFAJVAMVSA-N 2 1 309.429 1.431 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961761288 717197540 /nfs/dbraw/zinc/19/75/40/717197540.db2.gz BFYWCEVYCSVTRE-CFAJVAMVSA-N 2 1 309.429 1.431 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961761288 717197543 /nfs/dbraw/zinc/19/75/43/717197543.db2.gz BFYWCEVYCSVTRE-CFAJVAMVSA-N 2 1 309.429 1.431 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962054026 717288958 /nfs/dbraw/zinc/28/89/58/717288958.db2.gz YKGIGFVUQFYTAT-PIIMJCKOSA-N 2 1 311.429 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962181825 717339993 /nfs/dbraw/zinc/33/99/93/717339993.db2.gz UWCPZHSDAVFBBB-FVQHAEBGSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416991 717782451 /nfs/dbraw/zinc/78/24/51/717782451.db2.gz NAKPJBDYZSAFEA-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946620972 718855683 /nfs/dbraw/zinc/85/56/83/718855683.db2.gz DOBNKQUSJDAWKT-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861294 718928980 /nfs/dbraw/zinc/92/89/80/718928980.db2.gz FJTMBNYPNCVUMP-CALCHBBNSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947883232 719297710 /nfs/dbraw/zinc/29/77/10/719297710.db2.gz ZSYQHRMVXPACIC-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379370 719545219 /nfs/dbraw/zinc/54/52/19/719545219.db2.gz XJLMENVJNTZGPW-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379370 719545222 /nfs/dbraw/zinc/54/52/22/719545222.db2.gz XJLMENVJNTZGPW-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)CC[C@H]2C)CC1 ZINC000968680760 719732967 /nfs/dbraw/zinc/73/29/67/719732967.db2.gz DFMVKULNISPAON-SJLPKXTDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C)CC[C@@H]2C)CC1 ZINC000968682600 719734040 /nfs/dbraw/zinc/73/40/40/719734040.db2.gz SOABKOAWOUYQHF-DOTOQJQBSA-N 2 1 303.450 1.344 20 30 DDEDMP C=CCN1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948985822 719824306 /nfs/dbraw/zinc/82/43/06/719824306.db2.gz GDVDNPYRRFXRTA-AEFFLSMTSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948985822 719824313 /nfs/dbraw/zinc/82/43/13/719824313.db2.gz GDVDNPYRRFXRTA-AEFFLSMTSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948985822 719824319 /nfs/dbraw/zinc/82/43/19/719824319.db2.gz GDVDNPYRRFXRTA-AEFFLSMTSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948985822 719824326 /nfs/dbraw/zinc/82/43/26/719824326.db2.gz GDVDNPYRRFXRTA-AEFFLSMTSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948985822 719824331 /nfs/dbraw/zinc/82/43/31/719824331.db2.gz GDVDNPYRRFXRTA-AEFFLSMTSA-N 2 1 313.445 1.840 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968855922 719825721 /nfs/dbraw/zinc/82/57/21/719825721.db2.gz BZSJPZPJVMDVEZ-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855922 719825725 /nfs/dbraw/zinc/82/57/25/719825725.db2.gz BZSJPZPJVMDVEZ-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855922 719825730 /nfs/dbraw/zinc/82/57/30/719825730.db2.gz BZSJPZPJVMDVEZ-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC000969135900 719972253 /nfs/dbraw/zinc/97/22/53/719972253.db2.gz PQELMFWIPNXKEK-UONOGXRCSA-N 2 1 302.422 1.590 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969836914 720526909 /nfs/dbraw/zinc/52/69/09/720526909.db2.gz OXKHGFTYNBDYGM-ZFWWWQNUSA-N 2 1 302.422 1.773 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326950 720712439 /nfs/dbraw/zinc/71/24/39/720712439.db2.gz YFYMFOZYENRNRJ-YJBOKZPZSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326950 720712443 /nfs/dbraw/zinc/71/24/43/720712443.db2.gz YFYMFOZYENRNRJ-YJBOKZPZSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338044 720717837 /nfs/dbraw/zinc/71/78/37/720717837.db2.gz GQQRDDZEODZJKD-UKRRQHHQSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470867 732328315 /nfs/dbraw/zinc/32/83/15/732328315.db2.gz VSVDGHIEFRDPIO-WMZOPIPTSA-N 2 1 314.433 1.433 20 30 DDEDMP N#Cc1c2c(cnc1N1CCc3[nH+]ccn3CC1)C[NH2+]CCC2 ZINC001167178173 732806530 /nfs/dbraw/zinc/80/65/30/732806530.db2.gz KOXDGYHMNFKXCV-UHFFFAOYSA-N 2 1 308.389 1.248 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027931086 738827319 /nfs/dbraw/zinc/82/73/19/738827319.db2.gz YBPVCYSRRRVGMZ-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027931086 738827324 /nfs/dbraw/zinc/82/73/24/738827324.db2.gz YBPVCYSRRRVGMZ-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001027931086 738827328 /nfs/dbraw/zinc/82/73/28/738827328.db2.gz YBPVCYSRRRVGMZ-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039460462 734534127 /nfs/dbraw/zinc/53/41/27/734534127.db2.gz QYCBNJKUAIPHGB-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460462 734534130 /nfs/dbraw/zinc/53/41/30/734534130.db2.gz QYCBNJKUAIPHGB-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460462 734534132 /nfs/dbraw/zinc/53/41/32/734534132.db2.gz QYCBNJKUAIPHGB-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCF)C2 ZINC001121251170 782425802 /nfs/dbraw/zinc/42/58/02/782425802.db2.gz OOUIXUXHSLQTDS-HVEGKCCWSA-N 2 1 321.440 1.461 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCF)C2 ZINC001121251170 782425807 /nfs/dbraw/zinc/42/58/07/782425807.db2.gz OOUIXUXHSLQTDS-HVEGKCCWSA-N 2 1 321.440 1.461 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001098571946 734872170 /nfs/dbraw/zinc/87/21/70/734872170.db2.gz ZGAJUVMRTMCKEA-IYBDPMFKSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001098571946 734872173 /nfs/dbraw/zinc/87/21/73/734872173.db2.gz ZGAJUVMRTMCKEA-IYBDPMFKSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001098571946 734872176 /nfs/dbraw/zinc/87/21/76/734872176.db2.gz ZGAJUVMRTMCKEA-IYBDPMFKSA-N 2 1 323.481 1.331 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454298 735245535 /nfs/dbraw/zinc/24/55/35/735245535.db2.gz RIHPYUBLYXRVPR-HNNXBMFYSA-N 2 1 310.401 1.718 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001023451944 735247149 /nfs/dbraw/zinc/24/71/49/735247149.db2.gz ORNQAUCWDNVIDU-LSDHHAIUSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC001024486819 735863923 /nfs/dbraw/zinc/86/39/23/735863923.db2.gz IYNNVURCLZALHS-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001024517329 735895340 /nfs/dbraw/zinc/89/53/40/735895340.db2.gz SQKIVMPKVKBEEW-HZPDHXFCSA-N 2 1 316.449 1.992 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001024615780 735986010 /nfs/dbraw/zinc/98/60/10/735986010.db2.gz HPDRBVCTSYUDBP-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024615780 735986013 /nfs/dbraw/zinc/98/60/13/735986013.db2.gz HPDRBVCTSYUDBP-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024615780 735986014 /nfs/dbraw/zinc/98/60/14/735986014.db2.gz HPDRBVCTSYUDBP-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3cnc[nH]3)C(C)(C)[C@H]21 ZINC001087306834 736011624 /nfs/dbraw/zinc/01/16/24/736011624.db2.gz OYXGBRIMCHAADR-OIISXLGYSA-N 2 1 314.433 1.581 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC001025630752 736797418 /nfs/dbraw/zinc/79/74/18/736797418.db2.gz VMOBUBIKZBIDHZ-NVXWUHKLSA-N 2 1 323.456 1.518 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001019772825 736920409 /nfs/dbraw/zinc/92/04/09/736920409.db2.gz SVXBQLSJCWNOKR-STQMWFEESA-N 2 1 318.446 1.262 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099945 737117361 /nfs/dbraw/zinc/11/73/61/737117361.db2.gz NDOCWEAVDHBULU-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099945 737117363 /nfs/dbraw/zinc/11/73/63/737117363.db2.gz NDOCWEAVDHBULU-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099945 737117365 /nfs/dbraw/zinc/11/73/65/737117365.db2.gz NDOCWEAVDHBULU-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099945 737117366 /nfs/dbraw/zinc/11/73/66/737117366.db2.gz NDOCWEAVDHBULU-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]12 ZINC001026313882 737338783 /nfs/dbraw/zinc/33/87/83/737338783.db2.gz RSNXGXZJWZEUGZ-BZUAXINKSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000997980288 751438624 /nfs/dbraw/zinc/43/86/24/751438624.db2.gz YHMOHFZFHPFKCE-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000998004466 751458252 /nfs/dbraw/zinc/45/82/52/751458252.db2.gz AWDWGTJJFSYDQM-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800085 740057657 /nfs/dbraw/zinc/05/76/57/740057657.db2.gz ONDKKIJBJQFKDB-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800085 740057660 /nfs/dbraw/zinc/05/76/60/740057660.db2.gz ONDKKIJBJQFKDB-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)[C@@H]1CC ZINC001087607290 740674689 /nfs/dbraw/zinc/67/46/89/740674689.db2.gz WHHFYCKDKWSKLL-BBWFWOEESA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749436 740733237 /nfs/dbraw/zinc/73/32/37/740733237.db2.gz LCZBKXQWYQHVFB-IXDOHACOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC=C)CC[C@@H]2C1 ZINC001087998265 740939456 /nfs/dbraw/zinc/93/94/56/740939456.db2.gz ZJQNUGJASPUXJX-IKGGRYGDSA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC=C)CC[C@@H]2C1 ZINC001087998265 740939458 /nfs/dbraw/zinc/93/94/58/740939458.db2.gz ZJQNUGJASPUXJX-IKGGRYGDSA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC=C)CC[C@@H]2C1 ZINC001087998265 740939460 /nfs/dbraw/zinc/93/94/60/740939460.db2.gz ZJQNUGJASPUXJX-IKGGRYGDSA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC=C)CC[C@@H]2C1 ZINC001087998265 740939461 /nfs/dbraw/zinc/93/94/61/740939461.db2.gz ZJQNUGJASPUXJX-IKGGRYGDSA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001088129396 741050285 /nfs/dbraw/zinc/05/02/85/741050285.db2.gz LWOZSUBJGWYXGL-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001030019216 741977052 /nfs/dbraw/zinc/97/70/52/741977052.db2.gz UUBCSUGZZKDTGE-FOIPXRHGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001030019216 741977057 /nfs/dbraw/zinc/97/70/57/741977057.db2.gz UUBCSUGZZKDTGE-FOIPXRHGSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040240317 742167292 /nfs/dbraw/zinc/16/72/92/742167292.db2.gz FSNBGKWDDDZEBL-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250976 742227079 /nfs/dbraw/zinc/22/70/79/742227079.db2.gz VLMNFCMSBBYFPY-HKUYNNGSSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035707193 751793716 /nfs/dbraw/zinc/79/37/16/751793716.db2.gz NIMVNDHYZRWJLL-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181441945 743210659 /nfs/dbraw/zinc/21/06/59/743210659.db2.gz WAAZPNHNQQMQMX-JFIYKMOQSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035725509 751817662 /nfs/dbraw/zinc/81/76/62/751817662.db2.gz WNYORLLFRJUUPJ-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165135 743796597 /nfs/dbraw/zinc/79/65/97/743796597.db2.gz OKJMIMBJYJOVPW-SOLBZPMBSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035797921 751885348 /nfs/dbraw/zinc/88/53/48/751885348.db2.gz JMSZZWSJEDIKBT-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184809709 744105476 /nfs/dbraw/zinc/10/54/76/744105476.db2.gz HJHPCOHUQVLSJO-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185294521 744199847 /nfs/dbraw/zinc/19/98/47/744199847.db2.gz QLHBLPIDJYQIJR-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CC12CCOCC2 ZINC001186552559 744420290 /nfs/dbraw/zinc/42/02/90/744420290.db2.gz HIBCDGGDKJHSFB-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@@H]2C)CC1 ZINC001089059387 744479151 /nfs/dbraw/zinc/47/91/51/744479151.db2.gz KEQNYRRGQHKGEK-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992139849 744629592 /nfs/dbraw/zinc/62/95/92/744629592.db2.gz CVRGEJSNBXPWGJ-AEFFLSMTSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189426534 744894406 /nfs/dbraw/zinc/89/44/06/744894406.db2.gz YECWRFNIOURAEN-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189426534 744894409 /nfs/dbraw/zinc/89/44/09/744894409.db2.gz YECWRFNIOURAEN-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992480612 744907296 /nfs/dbraw/zinc/90/72/96/744907296.db2.gz UISPJMABQQWXEN-IJEWVQPXSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992480612 744907298 /nfs/dbraw/zinc/90/72/98/744907298.db2.gz UISPJMABQQWXEN-IJEWVQPXSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992480612 744907301 /nfs/dbraw/zinc/90/73/01/744907301.db2.gz UISPJMABQQWXEN-IJEWVQPXSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992480612 744907303 /nfs/dbraw/zinc/90/73/03/744907303.db2.gz UISPJMABQQWXEN-IJEWVQPXSA-N 2 1 311.857 1.804 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654286 745286183 /nfs/dbraw/zinc/28/61/83/745286183.db2.gz JHUDRRKMHJRIOU-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654286 745286185 /nfs/dbraw/zinc/28/61/85/745286185.db2.gz JHUDRRKMHJRIOU-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654286 745286190 /nfs/dbraw/zinc/28/61/90/745286190.db2.gz JHUDRRKMHJRIOU-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211098 745395158 /nfs/dbraw/zinc/39/51/58/745395158.db2.gz QLNBURKDXURYDP-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029700 745409329 /nfs/dbraw/zinc/40/93/29/745409329.db2.gz LZGNTUKHKINRTP-MRXNPFEDSA-N 2 1 302.422 1.627 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249167 745461468 /nfs/dbraw/zinc/46/14/68/745461468.db2.gz BFDQKBZNXSXQEH-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099239537 745836312 /nfs/dbraw/zinc/83/63/12/745836312.db2.gz GPBNIHRYNXQQAF-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099239537 745836317 /nfs/dbraw/zinc/83/63/17/745836317.db2.gz GPBNIHRYNXQQAF-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099239537 745836320 /nfs/dbraw/zinc/83/63/20/745836320.db2.gz GPBNIHRYNXQQAF-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666651 745885915 /nfs/dbraw/zinc/88/59/15/745885915.db2.gz PHJVSUJVNOOLPP-IIDMSEBBSA-N 2 1 323.456 1.516 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352046 746091231 /nfs/dbraw/zinc/09/12/31/746091231.db2.gz QBGXBHFPFPPSTC-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352046 746091233 /nfs/dbraw/zinc/09/12/33/746091233.db2.gz QBGXBHFPFPPSTC-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352046 746091234 /nfs/dbraw/zinc/09/12/34/746091234.db2.gz QBGXBHFPFPPSTC-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352046 746091237 /nfs/dbraw/zinc/09/12/37/746091237.db2.gz QBGXBHFPFPPSTC-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424060 746104646 /nfs/dbraw/zinc/10/46/46/746104646.db2.gz ITVDDBRHCBCNBN-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424060 746104649 /nfs/dbraw/zinc/10/46/49/746104649.db2.gz ITVDDBRHCBCNBN-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424060 746104652 /nfs/dbraw/zinc/10/46/52/746104652.db2.gz ITVDDBRHCBCNBN-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193609557 746146656 /nfs/dbraw/zinc/14/66/56/746146656.db2.gz CZOVCYGFKKWFPO-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193609557 746146660 /nfs/dbraw/zinc/14/66/60/746146660.db2.gz CZOVCYGFKKWFPO-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193609557 746146665 /nfs/dbraw/zinc/14/66/65/746146665.db2.gz CZOVCYGFKKWFPO-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993535058 746202186 /nfs/dbraw/zinc/20/21/86/746202186.db2.gz SKHYOWISWQPEGE-WMLDXEAASA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993535058 746202189 /nfs/dbraw/zinc/20/21/89/746202189.db2.gz SKHYOWISWQPEGE-WMLDXEAASA-N 2 1 310.401 1.859 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194153089 746292321 /nfs/dbraw/zinc/29/23/21/746292321.db2.gz BALKXAPGJIXITM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194153089 746292323 /nfs/dbraw/zinc/29/23/23/746292323.db2.gz BALKXAPGJIXITM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194153089 746292326 /nfs/dbraw/zinc/29/23/26/746292326.db2.gz BALKXAPGJIXITM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194153089 746292328 /nfs/dbraw/zinc/29/23/28/746292328.db2.gz BALKXAPGJIXITM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046922696 746475144 /nfs/dbraw/zinc/47/51/44/746475144.db2.gz BPEVKNPNMKTKEV-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046922696 746475148 /nfs/dbraw/zinc/47/51/48/746475148.db2.gz BPEVKNPNMKTKEV-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046922696 746475152 /nfs/dbraw/zinc/47/51/52/746475152.db2.gz BPEVKNPNMKTKEV-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106859191 746497443 /nfs/dbraw/zinc/49/74/43/746497443.db2.gz YEWZKTAOCUCMKN-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198028896 747353610 /nfs/dbraw/zinc/35/36/10/747353610.db2.gz LKGFWRHOKLFSKZ-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198028896 747353618 /nfs/dbraw/zinc/35/36/18/747353618.db2.gz LKGFWRHOKLFSKZ-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198028896 747353624 /nfs/dbraw/zinc/35/36/24/747353624.db2.gz LKGFWRHOKLFSKZ-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089731321 747710256 /nfs/dbraw/zinc/71/02/56/747710256.db2.gz CZIIPGKEFBNMHK-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089731321 747710259 /nfs/dbraw/zinc/71/02/59/747710259.db2.gz CZIIPGKEFBNMHK-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089731321 747710262 /nfs/dbraw/zinc/71/02/62/747710262.db2.gz CZIIPGKEFBNMHK-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820120 747969856 /nfs/dbraw/zinc/96/98/56/747969856.db2.gz KTFNXHMDEWPJAA-OWLYRPNTSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820120 747969861 /nfs/dbraw/zinc/96/98/61/747969861.db2.gz KTFNXHMDEWPJAA-OWLYRPNTSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820120 747969868 /nfs/dbraw/zinc/96/98/68/747969868.db2.gz KTFNXHMDEWPJAA-OWLYRPNTSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212408662 752235068 /nfs/dbraw/zinc/23/50/68/752235068.db2.gz WZBBQNGYSCDHJT-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200556008 748277893 /nfs/dbraw/zinc/27/78/93/748277893.db2.gz VRRKWSHHQOGAFB-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089871389 748510473 /nfs/dbraw/zinc/51/04/73/748510473.db2.gz YNXBLWJKAWTJCI-XZDPQHSOSA-N 2 1 300.406 1.307 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145312 748554231 /nfs/dbraw/zinc/55/42/31/748554231.db2.gz HEHCGFZZGZPRRB-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145312 748554233 /nfs/dbraw/zinc/55/42/33/748554233.db2.gz HEHCGFZZGZPRRB-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145312 748554236 /nfs/dbraw/zinc/55/42/36/748554236.db2.gz HEHCGFZZGZPRRB-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039313732 761926679 /nfs/dbraw/zinc/92/66/79/761926679.db2.gz NANRAKGSEJRYJK-FBVQUNGASA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033992606 750229648 /nfs/dbraw/zinc/22/96/48/750229648.db2.gz UEUKJNAYFQVUBW-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001034044395 750309305 /nfs/dbraw/zinc/30/93/05/750309305.db2.gz ALJKHBMDDYWUPS-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034047202 750314700 /nfs/dbraw/zinc/31/47/00/750314700.db2.gz DEDQDZZINOJJMO-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034047202 750314705 /nfs/dbraw/zinc/31/47/05/750314705.db2.gz DEDQDZZINOJJMO-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034047202 750314710 /nfs/dbraw/zinc/31/47/10/750314710.db2.gz DEDQDZZINOJJMO-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034047202 750314713 /nfs/dbraw/zinc/31/47/13/750314713.db2.gz DEDQDZZINOJJMO-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398972 762031585 /nfs/dbraw/zinc/03/15/85/762031585.db2.gz LIMJQSPHSGDJBP-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089901783 750524560 /nfs/dbraw/zinc/52/45/60/750524560.db2.gz BAGRLPGCMCWYBJ-HZMVEIRTSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538359 750540614 /nfs/dbraw/zinc/54/06/14/750540614.db2.gz RYCZXKRUQDVCCO-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997150156 750587225 /nfs/dbraw/zinc/58/72/25/750587225.db2.gz VRECFGRHYRNZBQ-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997150156 750587226 /nfs/dbraw/zinc/58/72/26/750587226.db2.gz VRECFGRHYRNZBQ-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032443289 750856935 /nfs/dbraw/zinc/85/69/35/750856935.db2.gz QLEPXGJJZKMIAL-ULQDDVLXSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443289 750856944 /nfs/dbraw/zinc/85/69/44/750856944.db2.gz QLEPXGJJZKMIAL-ULQDDVLXSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443289 750856954 /nfs/dbraw/zinc/85/69/54/750856954.db2.gz QLEPXGJJZKMIAL-ULQDDVLXSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662305 750954888 /nfs/dbraw/zinc/95/48/88/750954888.db2.gz HJARICSBBYUGAE-ZSHCYNCHSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198797 751281465 /nfs/dbraw/zinc/28/14/65/751281465.db2.gz SNJWMIYYNHLBOT-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198797 751281467 /nfs/dbraw/zinc/28/14/67/751281467.db2.gz SNJWMIYYNHLBOT-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCCC2)C1 ZINC000998929522 752370607 /nfs/dbraw/zinc/37/06/07/752370607.db2.gz XKUNQUYQHUTWHS-ABHNRTSZSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCCC2)C1 ZINC000998929522 752370614 /nfs/dbraw/zinc/37/06/14/752370614.db2.gz XKUNQUYQHUTWHS-ABHNRTSZSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620978 752542625 /nfs/dbraw/zinc/54/26/25/752542625.db2.gz GQAWDXRALZFQOS-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001038620978 752542630 /nfs/dbraw/zinc/54/26/30/752542630.db2.gz GQAWDXRALZFQOS-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620978 752542634 /nfs/dbraw/zinc/54/26/34/752542634.db2.gz GQAWDXRALZFQOS-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620978 752542640 /nfs/dbraw/zinc/54/26/40/752542640.db2.gz GQAWDXRALZFQOS-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533201 752784706 /nfs/dbraw/zinc/78/47/06/752784706.db2.gz KONBZINPWLSHAK-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533201 752784710 /nfs/dbraw/zinc/78/47/10/752784710.db2.gz KONBZINPWLSHAK-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999350706 752854803 /nfs/dbraw/zinc/85/48/03/752854803.db2.gz AKUGMDRQRFGQCV-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090263224 753248221 /nfs/dbraw/zinc/24/82/21/753248221.db2.gz VRUPUUFJEURBJA-HOTGVXAUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999999914 753305782 /nfs/dbraw/zinc/30/57/82/753305782.db2.gz OSYKTESSVJOOJL-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999999914 753305784 /nfs/dbraw/zinc/30/57/84/753305784.db2.gz OSYKTESSVJOOJL-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000895878 762315172 /nfs/dbraw/zinc/31/51/72/762315172.db2.gz WZBBOVWUDSQUQR-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040235931 762450845 /nfs/dbraw/zinc/45/08/45/762450845.db2.gz IHEQGQUYGIDGJD-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001016330407 756931697 /nfs/dbraw/zinc/93/16/97/756931697.db2.gz GKBQKCMGRYQVFH-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097405119 757134055 /nfs/dbraw/zinc/13/40/55/757134055.db2.gz JVENFDKZXPKARC-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405119 757134058 /nfs/dbraw/zinc/13/40/58/757134058.db2.gz JVENFDKZXPKARC-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405119 757134064 /nfs/dbraw/zinc/13/40/64/757134064.db2.gz JVENFDKZXPKARC-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016632485 757221241 /nfs/dbraw/zinc/22/12/41/757221241.db2.gz QICNMDAZORSWHB-BZUAXINKSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016632731 757221550 /nfs/dbraw/zinc/22/15/50/757221550.db2.gz UCKGZNCMTMJQLY-OAGGEKHMSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580201 757258424 /nfs/dbraw/zinc/25/84/24/757258424.db2.gz VGQKOVGNHIDLQA-NCOADZHNSA-N 2 1 303.450 1.768 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001016818979 757378022 /nfs/dbraw/zinc/37/80/22/757378022.db2.gz ICVQCDIKCJINKB-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040492685 762559924 /nfs/dbraw/zinc/55/99/24/762559924.db2.gz DHDXVESMYAPUBP-KRWDZBQOSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852525 757983747 /nfs/dbraw/zinc/98/37/47/757983747.db2.gz CQDPODHNILQFJA-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852525 757983749 /nfs/dbraw/zinc/98/37/49/757983749.db2.gz CQDPODHNILQFJA-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852525 757983755 /nfs/dbraw/zinc/98/37/55/757983755.db2.gz CQDPODHNILQFJA-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)C[C@@H]21 ZINC001084975643 758114868 /nfs/dbraw/zinc/11/48/68/758114868.db2.gz MTJMNSNIAPQHME-INMHGKMJSA-N 2 1 314.433 1.554 20 30 DDEDMP C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017657717 758126241 /nfs/dbraw/zinc/12/62/41/758126241.db2.gz DACROYFDCWIBKO-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001017657717 758126245 /nfs/dbraw/zinc/12/62/45/758126245.db2.gz DACROYFDCWIBKO-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017657717 758126255 /nfs/dbraw/zinc/12/62/55/758126255.db2.gz DACROYFDCWIBKO-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017657717 758126260 /nfs/dbraw/zinc/12/62/60/758126260.db2.gz DACROYFDCWIBKO-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001017657717 758126268 /nfs/dbraw/zinc/12/62/68/758126268.db2.gz DACROYFDCWIBKO-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053798936 758826558 /nfs/dbraw/zinc/82/65/58/758826558.db2.gz HMEUHQITYMOLLX-JKSUJKDBSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053798936 758826567 /nfs/dbraw/zinc/82/65/67/758826567.db2.gz HMEUHQITYMOLLX-JKSUJKDBSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054099419 759164291 /nfs/dbraw/zinc/16/42/91/759164291.db2.gz HWVJWFVBWXSCIH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099419 759164297 /nfs/dbraw/zinc/16/42/97/759164297.db2.gz HWVJWFVBWXSCIH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099419 759164302 /nfs/dbraw/zinc/16/43/02/759164302.db2.gz HWVJWFVBWXSCIH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227828 759318768 /nfs/dbraw/zinc/31/87/68/759318768.db2.gz KXCNGBCHULWXMD-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227828 759318777 /nfs/dbraw/zinc/31/87/77/759318777.db2.gz KXCNGBCHULWXMD-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227828 759318783 /nfs/dbraw/zinc/31/87/83/759318783.db2.gz KXCNGBCHULWXMD-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054241075 759332735 /nfs/dbraw/zinc/33/27/35/759332735.db2.gz JPSLEJAUUBMACT-GOSISDBHSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108221039 760517925 /nfs/dbraw/zinc/51/79/25/760517925.db2.gz RTZAXZOHKQQZNO-DOTOQJQBSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001020250574 760722370 /nfs/dbraw/zinc/72/23/70/760722370.db2.gz IRNCZHIZSXRNOW-BZSNNMDCSA-N 2 1 311.429 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001020250574 760722375 /nfs/dbraw/zinc/72/23/75/760722375.db2.gz IRNCZHIZSXRNOW-BZSNNMDCSA-N 2 1 311.429 1.521 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853355 767986053 /nfs/dbraw/zinc/98/60/53/767986053.db2.gz WZFGNHJBYFEWIB-IBGZPJMESA-N 2 1 313.445 1.966 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086197323 761156884 /nfs/dbraw/zinc/15/68/84/761156884.db2.gz DDOACDSQXISBOF-SOUVJXGZSA-N 2 1 302.422 1.424 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809475 761427095 /nfs/dbraw/zinc/42/70/95/761427095.db2.gz IKKDMIKMZNHZJF-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC[C@H](C)F)CC1 ZINC001039041473 761682194 /nfs/dbraw/zinc/68/21/94/761682194.db2.gz DJIBHTCRQFKDQR-GOEBONIOSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040937293 762738135 /nfs/dbraw/zinc/73/81/35/762738135.db2.gz XXMRINVXBIPWQD-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041344729 762969664 /nfs/dbraw/zinc/96/96/64/762969664.db2.gz WVSLSYBYAYPMHD-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041344729 762969667 /nfs/dbraw/zinc/96/96/67/762969667.db2.gz WVSLSYBYAYPMHD-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041344729 762969670 /nfs/dbraw/zinc/96/96/70/762969670.db2.gz WVSLSYBYAYPMHD-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041603430 763171498 /nfs/dbraw/zinc/17/14/98/763171498.db2.gz UZKYHSGZFWVGMH-XYJFISCASA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041603430 763171503 /nfs/dbraw/zinc/17/15/03/763171503.db2.gz UZKYHSGZFWVGMH-XYJFISCASA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041603430 763171509 /nfs/dbraw/zinc/17/15/09/763171509.db2.gz UZKYHSGZFWVGMH-XYJFISCASA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124336 763172811 /nfs/dbraw/zinc/17/28/11/763172811.db2.gz FIJLLQSOICOQDW-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124336 763172820 /nfs/dbraw/zinc/17/28/20/763172820.db2.gz FIJLLQSOICOQDW-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124336 763172826 /nfs/dbraw/zinc/17/28/26/763172826.db2.gz FIJLLQSOICOQDW-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041676092 763216559 /nfs/dbraw/zinc/21/65/59/763216559.db2.gz URXZHOUKLMMZPL-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041676092 763216565 /nfs/dbraw/zinc/21/65/65/763216565.db2.gz URXZHOUKLMMZPL-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041676092 763216574 /nfs/dbraw/zinc/21/65/74/763216574.db2.gz URXZHOUKLMMZPL-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042217197 763781343 /nfs/dbraw/zinc/78/13/43/763781343.db2.gz VENVHTDCXQCBCD-WBVHZDCISA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314155 763903295 /nfs/dbraw/zinc/90/32/95/763903295.db2.gz MNXBHZASWOCGNZ-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC)[C@@H]3C2)CC1 ZINC001042367838 763971460 /nfs/dbraw/zinc/97/14/60/763971460.db2.gz MCJBSGXVJJSXIL-NVXWUHKLSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001042374763 763978403 /nfs/dbraw/zinc/97/84/03/763978403.db2.gz MLWNXHVHUKAQCY-KBPBESRZSA-N 2 1 308.813 1.558 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001042374763 763978406 /nfs/dbraw/zinc/97/84/06/763978406.db2.gz MLWNXHVHUKAQCY-KBPBESRZSA-N 2 1 308.813 1.558 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042718023 764383696 /nfs/dbraw/zinc/38/36/96/764383696.db2.gz DTSDUERSQXNJPZ-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131681657 768259342 /nfs/dbraw/zinc/25/93/42/768259342.db2.gz GBXNTDWCYKGVTO-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001044684829 765751332 /nfs/dbraw/zinc/75/13/32/765751332.db2.gz KUPGJOSZIXUBAX-HUUCEWRRSA-N 2 1 314.433 1.364 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395584 765785603 /nfs/dbraw/zinc/78/56/03/765785603.db2.gz VLEKMNQALWQLIS-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395584 765785608 /nfs/dbraw/zinc/78/56/08/765785608.db2.gz VLEKMNQALWQLIS-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395584 765785613 /nfs/dbraw/zinc/78/56/13/765785613.db2.gz VLEKMNQALWQLIS-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052459415 765848934 /nfs/dbraw/zinc/84/89/34/765848934.db2.gz NQBXPWQHQHQGFW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052459415 765848943 /nfs/dbraw/zinc/84/89/43/765848943.db2.gz NQBXPWQHQHQGFW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052459415 765848950 /nfs/dbraw/zinc/84/89/50/765848950.db2.gz NQBXPWQHQHQGFW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052459415 765848957 /nfs/dbraw/zinc/84/89/57/765848957.db2.gz NQBXPWQHQHQGFW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045555823 766398338 /nfs/dbraw/zinc/39/83/38/766398338.db2.gz BCKDQTHLTLSWHH-JSGCOSHPSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045555823 766398345 /nfs/dbraw/zinc/39/83/45/766398345.db2.gz BCKDQTHLTLSWHH-JSGCOSHPSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585866 766420505 /nfs/dbraw/zinc/42/05/05/766420505.db2.gz XIFZCCKHFIQWKE-IAGOWNOFSA-N 2 1 317.477 1.997 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093128 766638063 /nfs/dbraw/zinc/63/80/63/766638063.db2.gz JJSGIRXZEWGIGC-VVLHAWIVSA-N 2 1 323.481 1.334 20 30 DDEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114093128 766638069 /nfs/dbraw/zinc/63/80/69/766638069.db2.gz JJSGIRXZEWGIGC-VVLHAWIVSA-N 2 1 323.481 1.334 20 30 DDEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114093128 766638070 /nfs/dbraw/zinc/63/80/70/766638070.db2.gz JJSGIRXZEWGIGC-VVLHAWIVSA-N 2 1 323.481 1.334 20 30 DDEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114093128 766638075 /nfs/dbraw/zinc/63/80/75/766638075.db2.gz JJSGIRXZEWGIGC-VVLHAWIVSA-N 2 1 323.481 1.334 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC)CC1 ZINC001045895213 766674116 /nfs/dbraw/zinc/67/41/16/766674116.db2.gz AVOPBLBNDDDDSM-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045922066 766702234 /nfs/dbraw/zinc/70/22/34/766702234.db2.gz YAZJIJUSTGPNAQ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045922066 766702236 /nfs/dbraw/zinc/70/22/36/766702236.db2.gz YAZJIJUSTGPNAQ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045922066 766702237 /nfs/dbraw/zinc/70/22/37/766702237.db2.gz YAZJIJUSTGPNAQ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001114262647 766832740 /nfs/dbraw/zinc/83/27/40/766832740.db2.gz HQEBFIOQFJHUSM-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114262647 766832749 /nfs/dbraw/zinc/83/27/49/766832749.db2.gz HQEBFIOQFJHUSM-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114262647 766832756 /nfs/dbraw/zinc/83/27/56/766832756.db2.gz HQEBFIOQFJHUSM-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624102 766953781 /nfs/dbraw/zinc/95/37/81/766953781.db2.gz NGAREYPVCQEFAR-ZWKOTPCHSA-N 2 1 324.428 1.962 20 30 DDEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001086624102 766953787 /nfs/dbraw/zinc/95/37/87/766953787.db2.gz NGAREYPVCQEFAR-ZWKOTPCHSA-N 2 1 324.428 1.962 20 30 DDEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070400191 768443696 /nfs/dbraw/zinc/44/36/96/768443696.db2.gz TZGWQRVKDYOXMK-HIFRSBDPSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400191 768443700 /nfs/dbraw/zinc/44/37/00/768443700.db2.gz TZGWQRVKDYOXMK-HIFRSBDPSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400191 768443708 /nfs/dbraw/zinc/44/37/08/768443708.db2.gz TZGWQRVKDYOXMK-HIFRSBDPSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132364931 768779145 /nfs/dbraw/zinc/77/91/45/768779145.db2.gz GXUNXCHVRPAQBJ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132364931 768779148 /nfs/dbraw/zinc/77/91/48/768779148.db2.gz GXUNXCHVRPAQBJ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132360526 768786193 /nfs/dbraw/zinc/78/61/93/768786193.db2.gz UFMSQFXREYXXLN-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132360526 768786199 /nfs/dbraw/zinc/78/61/99/768786199.db2.gz UFMSQFXREYXXLN-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071191132 769116101 /nfs/dbraw/zinc/11/61/01/769116101.db2.gz AWLHLAVUOHOSCI-WBVHZDCISA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071191132 769116106 /nfs/dbraw/zinc/11/61/06/769116106.db2.gz AWLHLAVUOHOSCI-WBVHZDCISA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071191130 769116522 /nfs/dbraw/zinc/11/65/22/769116522.db2.gz AWLHLAVUOHOSCI-NVXWUHKLSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@@H](C)O2 ZINC001071191130 769116530 /nfs/dbraw/zinc/11/65/30/769116530.db2.gz AWLHLAVUOHOSCI-NVXWUHKLSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241388 769183438 /nfs/dbraw/zinc/18/34/38/769183438.db2.gz TWVJKCBRXJCVQH-YOEHRIQHSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241388 769183446 /nfs/dbraw/zinc/18/34/46/769183446.db2.gz TWVJKCBRXJCVQH-YOEHRIQHSA-N 2 1 318.421 1.069 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098480268 769257809 /nfs/dbraw/zinc/25/78/09/769257809.db2.gz YEWGYTNZGYJNNZ-INIZCTEOSA-N 2 1 311.470 1.188 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888096 770053890 /nfs/dbraw/zinc/05/38/90/770053890.db2.gz HYHVDVXILURUKH-TWMKSMIVSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888096 770053901 /nfs/dbraw/zinc/05/39/01/770053901.db2.gz HYHVDVXILURUKH-TWMKSMIVSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049146343 770455965 /nfs/dbraw/zinc/45/59/65/770455965.db2.gz CBGPXHVGTRIRPP-HDICACEKSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232396 770577981 /nfs/dbraw/zinc/57/79/81/770577981.db2.gz UXFNDVBWVOYZFG-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480085 770908899 /nfs/dbraw/zinc/90/88/99/770908899.db2.gz CWPBCHHZGQXOMZ-YVSFHVDLSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480085 770908905 /nfs/dbraw/zinc/90/89/05/770908905.db2.gz CWPBCHHZGQXOMZ-YVSFHVDLSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480085 770908910 /nfs/dbraw/zinc/90/89/10/770908910.db2.gz CWPBCHHZGQXOMZ-YVSFHVDLSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049524251 770973456 /nfs/dbraw/zinc/97/34/56/770973456.db2.gz JWBBWUDVMUCOTE-BBWFWOEESA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049526501 770978942 /nfs/dbraw/zinc/97/89/42/770978942.db2.gz VFLDTQBYFOCKNU-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526501 770978946 /nfs/dbraw/zinc/97/89/46/770978946.db2.gz VFLDTQBYFOCKNU-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526501 770978950 /nfs/dbraw/zinc/97/89/50/770978950.db2.gz VFLDTQBYFOCKNU-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049764077 771142924 /nfs/dbraw/zinc/14/29/24/771142924.db2.gz BRQLUBRVIYRNIB-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086787201 771729325 /nfs/dbraw/zinc/72/93/25/771729325.db2.gz HVUUYCBCZMMMQS-HRCADAONSA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090622839 772051182 /nfs/dbraw/zinc/05/11/82/772051182.db2.gz DEUVOGBONONCON-IRXDYDNUSA-N 2 1 323.481 1.236 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001171219132 772609928 /nfs/dbraw/zinc/60/99/28/772609928.db2.gz UEVRXLIEOXEYIY-QGZVFWFLSA-N 2 1 314.433 1.496 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115326 772648066 /nfs/dbraw/zinc/64/80/66/772648066.db2.gz SYDAYWZYPGPJMZ-IKGGRYGDSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171235178 772657907 /nfs/dbraw/zinc/65/79/07/772657907.db2.gz FQUGKPPOMSFRHK-IRXDYDNUSA-N 2 1 307.482 1.862 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001171248246 772709792 /nfs/dbraw/zinc/70/97/92/772709792.db2.gz RDZBEJRWPDISIM-CVEARBPZSA-N 2 1 321.469 1.264 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543877 772817883 /nfs/dbraw/zinc/81/78/83/772817883.db2.gz PHMBIBWOXLNUOF-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543877 772817888 /nfs/dbraw/zinc/81/78/88/772817888.db2.gz PHMBIBWOXLNUOF-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543877 772817894 /nfs/dbraw/zinc/81/78/94/772817894.db2.gz PHMBIBWOXLNUOF-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001147359005 773120266 /nfs/dbraw/zinc/12/02/66/773120266.db2.gz LCLSXWKBYLBEDP-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407367 773902620 /nfs/dbraw/zinc/90/26/20/773902620.db2.gz DLNBCFIZDYCEET-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407367 773902625 /nfs/dbraw/zinc/90/26/25/773902625.db2.gz DLNBCFIZDYCEET-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759482 774506304 /nfs/dbraw/zinc/50/63/04/774506304.db2.gz MQLOULCOUJRGHB-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001098446923 774583986 /nfs/dbraw/zinc/58/39/86/774583986.db2.gz RGJTYKQYVHRPGE-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001098446923 774583990 /nfs/dbraw/zinc/58/39/90/774583990.db2.gz RGJTYKQYVHRPGE-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098446923 774583996 /nfs/dbraw/zinc/58/39/96/774583996.db2.gz RGJTYKQYVHRPGE-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098446923 774584000 /nfs/dbraw/zinc/58/40/00/774584000.db2.gz RGJTYKQYVHRPGE-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036809141 774673218 /nfs/dbraw/zinc/67/32/18/774673218.db2.gz FYNGUSRWKFKXCO-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098985199 774756171 /nfs/dbraw/zinc/75/61/71/774756171.db2.gz YSLNRHAWROSNNA-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098985199 774756176 /nfs/dbraw/zinc/75/61/76/774756176.db2.gz YSLNRHAWROSNNA-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001098985199 774756178 /nfs/dbraw/zinc/75/61/78/774756178.db2.gz YSLNRHAWROSNNA-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001098985199 774756181 /nfs/dbraw/zinc/75/61/81/774756181.db2.gz YSLNRHAWROSNNA-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CC)C1 ZINC001099544193 775022746 /nfs/dbraw/zinc/02/27/46/775022746.db2.gz MNPNALRJJIPNCT-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544193 775022753 /nfs/dbraw/zinc/02/27/53/775022753.db2.gz MNPNALRJJIPNCT-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544193 775022757 /nfs/dbraw/zinc/02/27/57/775022757.db2.gz MNPNALRJJIPNCT-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094412659 775842970 /nfs/dbraw/zinc/84/29/70/775842970.db2.gz GUASQENCFMKDPV-ZHALLVOQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412659 775842976 /nfs/dbraw/zinc/84/29/76/775842976.db2.gz GUASQENCFMKDPV-ZHALLVOQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412659 775842981 /nfs/dbraw/zinc/84/29/81/775842981.db2.gz GUASQENCFMKDPV-ZHALLVOQSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171630140 776354773 /nfs/dbraw/zinc/35/47/73/776354773.db2.gz WKIAOUBWOHSPAJ-CQSZACIVSA-N 2 1 320.437 1.638 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC)CC1 ZINC001101548744 777239252 /nfs/dbraw/zinc/23/92/52/777239252.db2.gz HLQDTRMYKBIOFP-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH2+]CC)CC1 ZINC001101548744 777239259 /nfs/dbraw/zinc/23/92/59/777239259.db2.gz HLQDTRMYKBIOFP-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102087948 777866466 /nfs/dbraw/zinc/86/64/66/777866466.db2.gz DHWGQXINRFEDRP-BZUAXINKSA-N 2 1 311.470 1.213 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cc2cncn2C)[C@H](C)C1 ZINC001102513239 778179555 /nfs/dbraw/zinc/17/95/55/778179555.db2.gz BARWFAGYSHQNPE-HUUCEWRRSA-N 2 1 304.438 1.613 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001177079124 778431422 /nfs/dbraw/zinc/43/14/22/778431422.db2.gz AIYQDMAGDNGBGL-CVEARBPZSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001177079124 778431424 /nfs/dbraw/zinc/43/14/24/778431424.db2.gz AIYQDMAGDNGBGL-CVEARBPZSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177125021 778438026 /nfs/dbraw/zinc/43/80/26/778438026.db2.gz MKTXQEXMNUGESD-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177125021 778438030 /nfs/dbraw/zinc/43/80/30/778438030.db2.gz MKTXQEXMNUGESD-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177125021 778438033 /nfs/dbraw/zinc/43/80/33/778438033.db2.gz MKTXQEXMNUGESD-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177125021 778438034 /nfs/dbraw/zinc/43/80/34/778438034.db2.gz MKTXQEXMNUGESD-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174353 778688912 /nfs/dbraw/zinc/68/89/12/778688912.db2.gz KHUBTHLERHZELQ-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174353 778688914 /nfs/dbraw/zinc/68/89/14/778688914.db2.gz KHUBTHLERHZELQ-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174353 778688919 /nfs/dbraw/zinc/68/89/19/778688919.db2.gz KHUBTHLERHZELQ-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179421342 779379403 /nfs/dbraw/zinc/37/94/03/779379403.db2.gz UCFURACGIIISEF-LXZKKBNFSA-N 2 1 314.433 1.356 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179586396 779419594 /nfs/dbraw/zinc/41/95/94/779419594.db2.gz NUJUHOZKBDWYJD-KRWDZBQOSA-N 2 1 323.481 1.244 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573417 780243773 /nfs/dbraw/zinc/24/37/73/780243773.db2.gz QWRSUJWIHILXAN-OAHLLOKOSA-N 2 1 314.433 1.802 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729647 780380719 /nfs/dbraw/zinc/38/07/19/780380719.db2.gz OAKQHIDQLUZXGT-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC001115730202 780381510 /nfs/dbraw/zinc/38/15/10/780381510.db2.gz FMPFMUXPEMQQJO-CVEARBPZSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120009734 781721405 /nfs/dbraw/zinc/72/14/05/781721405.db2.gz FCXJQMODFBKAMQ-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001120141192 781781643 /nfs/dbraw/zinc/78/16/43/781781643.db2.gz UKNWRTKXRMXDCY-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266514637 836394732 /nfs/dbraw/zinc/39/47/32/836394732.db2.gz UAAGSAZRJOFYCJ-LSDHHAIUSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266514637 836394742 /nfs/dbraw/zinc/39/47/42/836394742.db2.gz UAAGSAZRJOFYCJ-LSDHHAIUSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001282893447 836433187 /nfs/dbraw/zinc/43/31/87/836433187.db2.gz FVCFCRWRIHJHJB-OSYLJGHBSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001267382180 837959070 /nfs/dbraw/zinc/95/90/70/837959070.db2.gz NBUPHEUCDZOMNG-KRWDZBQOSA-N 2 1 301.434 1.797 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267465464 838112484 /nfs/dbraw/zinc/11/24/84/838112484.db2.gz GKKGDBRWBTUOJK-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267465464 838112491 /nfs/dbraw/zinc/11/24/91/838112491.db2.gz GKKGDBRWBTUOJK-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267465464 838112496 /nfs/dbraw/zinc/11/24/96/838112496.db2.gz GKKGDBRWBTUOJK-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267595481 838391269 /nfs/dbraw/zinc/39/12/69/838391269.db2.gz RGUHILHCEPFKBM-IRXDYDNUSA-N 2 1 323.481 1.051 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267646202 838568219 /nfs/dbraw/zinc/56/82/19/838568219.db2.gz MYXZDZYEMNBYSC-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267646202 838568222 /nfs/dbraw/zinc/56/82/22/838568222.db2.gz MYXZDZYEMNBYSC-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267646202 838568228 /nfs/dbraw/zinc/56/82/28/838568228.db2.gz MYXZDZYEMNBYSC-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267692614 838659444 /nfs/dbraw/zinc/65/94/44/838659444.db2.gz ITICZGLYVZBDIL-INIZCTEOSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267767572 838913913 /nfs/dbraw/zinc/91/39/13/838913913.db2.gz HUUOPUKDFFLFLZ-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001268222329 839854784 /nfs/dbraw/zinc/85/47/84/839854784.db2.gz YIGDRJUJKCIDQO-DLBZAZTESA-N 2 1 307.482 1.862 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@H]21 ZINC001268271378 839926322 /nfs/dbraw/zinc/92/63/22/839926322.db2.gz RJXGPJJJQPROHM-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001268271378 839926326 /nfs/dbraw/zinc/92/63/26/839926326.db2.gz RJXGPJJJQPROHM-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001268271378 839926335 /nfs/dbraw/zinc/92/63/35/839926335.db2.gz RJXGPJJJQPROHM-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268584289 840487825 /nfs/dbraw/zinc/48/78/25/840487825.db2.gz YFQKNCWIGVDAMZ-YVACAVLKSA-N 2 1 302.422 1.592 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269347682 841549503 /nfs/dbraw/zinc/54/95/03/841549503.db2.gz BPQZOXSFOTZUNR-QGZVFWFLSA-N 2 1 316.449 1.918 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269347682 841549512 /nfs/dbraw/zinc/54/95/12/841549512.db2.gz BPQZOXSFOTZUNR-QGZVFWFLSA-N 2 1 316.449 1.918 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001270863674 842982018 /nfs/dbraw/zinc/98/20/18/842982018.db2.gz JLMVJRGTNPMMRH-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841326 861933539 /nfs/dbraw/zinc/93/35/39/861933539.db2.gz COCUPGCNMUHWPI-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841326 861933553 /nfs/dbraw/zinc/93/35/53/861933553.db2.gz COCUPGCNMUHWPI-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841326 861933565 /nfs/dbraw/zinc/93/35/65/861933565.db2.gz COCUPGCNMUHWPI-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841326 861933582 /nfs/dbraw/zinc/93/35/82/861933582.db2.gz COCUPGCNMUHWPI-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)[C@@H]2C1 ZINC001084801091 848934068 /nfs/dbraw/zinc/93/40/68/848934068.db2.gz KXBBBDLTTQRRPE-LMMKCTJWSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]2C1 ZINC001084801091 848934071 /nfs/dbraw/zinc/93/40/71/848934071.db2.gz KXBBBDLTTQRRPE-LMMKCTJWSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)[C@@H]2C1 ZINC001084801091 848934073 /nfs/dbraw/zinc/93/40/73/848934073.db2.gz KXBBBDLTTQRRPE-LMMKCTJWSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001149890498 861964046 /nfs/dbraw/zinc/96/40/46/861964046.db2.gz RIVDZMWHJUIULY-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001149890498 861964059 /nfs/dbraw/zinc/96/40/59/861964059.db2.gz RIVDZMWHJUIULY-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001149890498 861964069 /nfs/dbraw/zinc/96/40/69/861964069.db2.gz RIVDZMWHJUIULY-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150034731 862040430 /nfs/dbraw/zinc/04/04/30/862040430.db2.gz AGYYHTKHWWIMIE-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001273428878 850244233 /nfs/dbraw/zinc/24/42/33/850244233.db2.gz RKEMRHRQDCWFHI-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001273428878 850244239 /nfs/dbraw/zinc/24/42/39/850244239.db2.gz RKEMRHRQDCWFHI-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001273428878 850244249 /nfs/dbraw/zinc/24/42/49/850244249.db2.gz RKEMRHRQDCWFHI-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001273763090 851314695 /nfs/dbraw/zinc/31/46/95/851314695.db2.gz OIHFYWNXWLIGKL-IAGOWNOFSA-N 2 1 317.477 1.997 20 30 DDEDMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](CCCC#N)CC2)C1=O ZINC001274039860 851879263 /nfs/dbraw/zinc/87/92/63/851879263.db2.gz OLLWUFHKKCIMIK-QGZVFWFLSA-N 2 1 306.454 1.556 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001274578113 852410714 /nfs/dbraw/zinc/41/07/14/852410714.db2.gz FFXVUTWFLPXTTD-AATRIKPKSA-N 2 1 322.412 1.505 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001274655796 852490073 /nfs/dbraw/zinc/49/00/73/852490073.db2.gz SRKZTXAATFIHGN-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001274655796 852490080 /nfs/dbraw/zinc/49/00/80/852490080.db2.gz SRKZTXAATFIHGN-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001275100744 852804841 /nfs/dbraw/zinc/80/48/41/852804841.db2.gz QVRUBFJAFLLQPX-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)cc1 ZINC001275132609 852828332 /nfs/dbraw/zinc/82/83/32/852828332.db2.gz YNEAYHVNTCHLBO-KDURUIRLSA-N 2 1 313.445 1.115 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001275159458 852847611 /nfs/dbraw/zinc/84/76/11/852847611.db2.gz CZBFHYFLKJDCQD-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275159458 852847619 /nfs/dbraw/zinc/84/76/19/852847619.db2.gz CZBFHYFLKJDCQD-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275159458 852847623 /nfs/dbraw/zinc/84/76/23/852847623.db2.gz CZBFHYFLKJDCQD-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761799 862456480 /nfs/dbraw/zinc/45/64/80/862456480.db2.gz SLZDZXQPYBTGBF-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001327958095 862595323 /nfs/dbraw/zinc/59/53/23/862595323.db2.gz KIRGQZYTINNTTR-AEFFLSMTSA-N 2 1 313.445 1.578 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001327958095 862595332 /nfs/dbraw/zinc/59/53/32/862595332.db2.gz KIRGQZYTINNTTR-AEFFLSMTSA-N 2 1 313.445 1.578 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001151147640 862650059 /nfs/dbraw/zinc/65/00/59/862650059.db2.gz UGZRZSWSZAKXKW-UHFFFAOYSA-N 2 1 315.352 1.108 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001072918014 857888728 /nfs/dbraw/zinc/88/87/28/857888728.db2.gz NFGCNQPBBMMDAE-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918014 857888732 /nfs/dbraw/zinc/88/87/32/857888732.db2.gz NFGCNQPBBMMDAE-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918014 857888735 /nfs/dbraw/zinc/88/87/35/857888735.db2.gz NFGCNQPBBMMDAE-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073049913 858047249 /nfs/dbraw/zinc/04/72/49/858047249.db2.gz AWZOWENKLUGALG-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073049913 858047253 /nfs/dbraw/zinc/04/72/53/858047253.db2.gz AWZOWENKLUGALG-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073049913 858047258 /nfs/dbraw/zinc/04/72/58/858047258.db2.gz AWZOWENKLUGALG-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC001224904717 881580694 /nfs/dbraw/zinc/58/06/94/881580694.db2.gz VQQQXHJTSPRBCS-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001325854340 860889468 /nfs/dbraw/zinc/88/94/68/860889468.db2.gz ZUQMQWNWNZJKGR-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001325854340 860889476 /nfs/dbraw/zinc/88/94/76/860889476.db2.gz ZUQMQWNWNZJKGR-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001325854340 860889480 /nfs/dbraw/zinc/88/94/80/860889480.db2.gz ZUQMQWNWNZJKGR-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001329925024 863947022 /nfs/dbraw/zinc/94/70/22/863947022.db2.gz ZOZFDJUGSJYFID-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001329925024 863947037 /nfs/dbraw/zinc/94/70/37/863947037.db2.gz ZOZFDJUGSJYFID-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001329925024 863947054 /nfs/dbraw/zinc/94/70/54/863947054.db2.gz ZOZFDJUGSJYFID-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227784 864500924 /nfs/dbraw/zinc/50/09/24/864500924.db2.gz PTYZZFPHBVEULU-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227784 864500936 /nfs/dbraw/zinc/50/09/36/864500936.db2.gz PTYZZFPHBVEULU-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158474446 864675030 /nfs/dbraw/zinc/67/50/30/864675030.db2.gz ZKBROWQIJVRDSN-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158474446 864675039 /nfs/dbraw/zinc/67/50/39/864675039.db2.gz ZKBROWQIJVRDSN-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158474446 864675041 /nfs/dbraw/zinc/67/50/41/864675041.db2.gz ZKBROWQIJVRDSN-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877700 865577006 /nfs/dbraw/zinc/57/70/06/865577006.db2.gz SDJRSIRUBNAWNR-HZPDHXFCSA-N 2 1 321.469 1.264 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001332142830 865610135 /nfs/dbraw/zinc/61/01/35/865610135.db2.gz XXLSJXLZVQLSIC-KBAYOESNSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001324286807 867182521 /nfs/dbraw/zinc/18/25/21/867182521.db2.gz UOXOVYJZOQQSDL-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325138304 867808197 /nfs/dbraw/zinc/80/81/97/867808197.db2.gz PKHIONIBTHFSSF-GOSISDBHSA-N 2 1 323.481 1.238 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165471828 869612857 /nfs/dbraw/zinc/61/28/57/869612857.db2.gz BFBTYCUPKDIAOP-QGZVFWFLSA-N 2 1 319.493 1.864 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484290 869615056 /nfs/dbraw/zinc/61/50/56/869615056.db2.gz BYVYJCLERWSQRA-QGZVFWFLSA-N 2 1 317.477 1.903 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001166668338 870143104 /nfs/dbraw/zinc/14/31/04/870143104.db2.gz ZIBCEIDEESSCKC-CYBMUJFWSA-N 2 1 320.462 1.557 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001316682383 871040400 /nfs/dbraw/zinc/04/04/00/871040400.db2.gz AVAVJEIIGRMEBT-DOTOQJQBSA-N 2 1 316.449 1.822 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001317787114 871504130 /nfs/dbraw/zinc/50/41/30/871504130.db2.gz CBALMHCZLIKHAK-HZPDHXFCSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317812252 871535988 /nfs/dbraw/zinc/53/59/88/871535988.db2.gz WUKKROBOQPKCLF-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317812252 871536002 /nfs/dbraw/zinc/53/60/02/871536002.db2.gz WUKKROBOQPKCLF-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317812252 871536016 /nfs/dbraw/zinc/53/60/16/871536016.db2.gz WUKKROBOQPKCLF-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317812252 871536032 /nfs/dbraw/zinc/53/60/32/871536032.db2.gz WUKKROBOQPKCLF-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001342033746 871962676 /nfs/dbraw/zinc/96/26/76/871962676.db2.gz MYYMEVHCFLNXMA-CVEARBPZSA-N 2 1 311.470 1.629 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC001342033746 871962684 /nfs/dbraw/zinc/96/26/84/871962684.db2.gz MYYMEVHCFLNXMA-CVEARBPZSA-N 2 1 311.470 1.629 20 30 DDEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001316747516 871990474 /nfs/dbraw/zinc/99/04/74/871990474.db2.gz WLCRGJWGYQPQDA-IRXDYDNUSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001316747516 871990481 /nfs/dbraw/zinc/99/04/81/871990481.db2.gz WLCRGJWGYQPQDA-IRXDYDNUSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001316747516 871990490 /nfs/dbraw/zinc/99/04/90/871990490.db2.gz WLCRGJWGYQPQDA-IRXDYDNUSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001318483364 872106466 /nfs/dbraw/zinc/10/64/66/872106466.db2.gz QPVDZSVUJWYPOU-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001318483364 872106476 /nfs/dbraw/zinc/10/64/76/872106476.db2.gz QPVDZSVUJWYPOU-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001318569666 872152375 /nfs/dbraw/zinc/15/23/75/872152375.db2.gz IRRWVFDBFMDVAO-PBHICJAKSA-N 2 1 311.445 1.707 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001319196886 872492498 /nfs/dbraw/zinc/49/24/98/872492498.db2.gz ONMHGNVDNQBEOV-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014197 873749831 /nfs/dbraw/zinc/74/98/31/873749831.db2.gz NHPADNZQGKVLOH-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001209267926 874766167 /nfs/dbraw/zinc/76/61/67/874766167.db2.gz YKQAVDUCACLCRK-RTBURBONSA-N 2 1 319.493 1.661 20 30 DDEDMP C#CCCC[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209267926 874766177 /nfs/dbraw/zinc/76/61/77/874766177.db2.gz YKQAVDUCACLCRK-RTBURBONSA-N 2 1 319.493 1.661 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001209267926 874766188 /nfs/dbraw/zinc/76/61/88/874766188.db2.gz YKQAVDUCACLCRK-RTBURBONSA-N 2 1 319.493 1.661 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001211256431 875728250 /nfs/dbraw/zinc/72/82/50/875728250.db2.gz GJGOFUBUKMUHEI-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593308 875990859 /nfs/dbraw/zinc/99/08/59/875990859.db2.gz UBSWELBDKFUUGF-ZACQAIPSSA-N 2 1 323.481 1.192 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593308 875990831 /nfs/dbraw/zinc/99/08/31/875990831.db2.gz UBSWELBDKFUUGF-ZACQAIPSSA-N 2 1 323.481 1.192 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccc(C#N)cc1 ZINC001379117310 876444933 /nfs/dbraw/zinc/44/49/33/876444933.db2.gz MNFOQRAPAINRKF-UHFFFAOYSA-N 2 1 316.449 1.790 20 30 DDEDMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001379117310 876444940 /nfs/dbraw/zinc/44/49/40/876444940.db2.gz MNFOQRAPAINRKF-UHFFFAOYSA-N 2 1 316.449 1.790 20 30 DDEDMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001379117310 876444946 /nfs/dbraw/zinc/44/49/46/876444946.db2.gz MNFOQRAPAINRKF-UHFFFAOYSA-N 2 1 316.449 1.790 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855555 876482220 /nfs/dbraw/zinc/48/22/20/876482220.db2.gz GKPINCKFZRFVRP-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216980927 877104654 /nfs/dbraw/zinc/10/46/54/877104654.db2.gz UWZVHBDYSVOFPG-NVXWUHKLSA-N 2 1 301.434 1.741 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216980927 877104659 /nfs/dbraw/zinc/10/46/59/877104659.db2.gz UWZVHBDYSVOFPG-NVXWUHKLSA-N 2 1 301.434 1.741 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218919761 877808503 /nfs/dbraw/zinc/80/85/03/877808503.db2.gz YWFZJRVZTLEQIE-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919761 877808507 /nfs/dbraw/zinc/80/85/07/877808507.db2.gz YWFZJRVZTLEQIE-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919761 877808518 /nfs/dbraw/zinc/80/85/18/877808518.db2.gz YWFZJRVZTLEQIE-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCCC ZINC001235473330 888667605 /nfs/dbraw/zinc/66/76/05/888667605.db2.gz WBLBTUZAXSHCTE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC ZINC001235473330 888667607 /nfs/dbraw/zinc/66/76/07/888667607.db2.gz WBLBTUZAXSHCTE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCC ZINC001235473330 888667608 /nfs/dbraw/zinc/66/76/08/888667608.db2.gz WBLBTUZAXSHCTE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCCC ZINC001235473330 888667610 /nfs/dbraw/zinc/66/76/10/888667610.db2.gz WBLBTUZAXSHCTE-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001235661357 888854605 /nfs/dbraw/zinc/85/46/05/888854605.db2.gz MFZCKSKGEOTYIZ-MJGOQNOKSA-N 2 1 315.461 1.908 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH2+]C23CC(C(=O)NC4(C#N)CCC4)(C2)C3)C1 ZINC001278147108 889848229 /nfs/dbraw/zinc/84/82/29/889848229.db2.gz HVKVVQXEXXMHPD-MXWWQKGMSA-N 2 1 316.449 1.403 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001278200244 890126039 /nfs/dbraw/zinc/12/60/39/890126039.db2.gz AQNAYQWGFAQBAA-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H]4C[C@@]4([NH3+])C3)CC2)cc1 ZINC001246654927 892770072 /nfs/dbraw/zinc/77/00/72/892770072.db2.gz XRFTYMGPTUSBDQ-QFBILLFUSA-N 2 1 324.428 1.586 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@H]4C[C@@]4([NH3+])C3)CC2)cc1 ZINC001246654927 892770082 /nfs/dbraw/zinc/77/00/82/892770082.db2.gz XRFTYMGPTUSBDQ-QFBILLFUSA-N 2 1 324.428 1.586 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001278563224 894252855 /nfs/dbraw/zinc/25/28/55/894252855.db2.gz WSXQXUHOWSUOAH-SFHVURJKSA-N 2 1 323.481 1.503 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001252552583 895273093 /nfs/dbraw/zinc/27/30/93/895273093.db2.gz KOZGOXFAXYWXAK-KSZLIROESA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252552583 895273105 /nfs/dbraw/zinc/27/31/05/895273105.db2.gz KOZGOXFAXYWXAK-KSZLIROESA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252552583 895273119 /nfs/dbraw/zinc/27/31/19/895273119.db2.gz KOZGOXFAXYWXAK-KSZLIROESA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001253578162 895909021 /nfs/dbraw/zinc/90/90/21/895909021.db2.gz WKZXWNVIXUFKGY-MRXNPFEDSA-N 2 1 304.438 1.274 20 30 DDEDMP C=C(Br)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367271880 896244531 /nfs/dbraw/zinc/24/45/31/896244531.db2.gz GPZBGMOOJPXDQL-ZYHUDNBSSA-N 2 1 318.259 1.331 20 30 DDEDMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]2C1 ZINC001254665185 896562632 /nfs/dbraw/zinc/56/26/32/896562632.db2.gz ZLZVSJHZHDQDSN-VVLHAWIVSA-N 2 1 307.438 1.348 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]2C1 ZINC001254665185 896562644 /nfs/dbraw/zinc/56/26/44/896562644.db2.gz ZLZVSJHZHDQDSN-VVLHAWIVSA-N 2 1 307.438 1.348 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]2C1 ZINC001254665185 896562654 /nfs/dbraw/zinc/56/26/54/896562654.db2.gz ZLZVSJHZHDQDSN-VVLHAWIVSA-N 2 1 307.438 1.348 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001390105821 898694729 /nfs/dbraw/zinc/69/47/29/898694729.db2.gz LOAPQSKOMIKACV-CQSZACIVSA-N 2 1 310.829 1.772 20 30 DDEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001263905226 900810173 /nfs/dbraw/zinc/81/01/73/900810173.db2.gz QLNHOODQDNYWDM-GVDBMIGSSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1CC ZINC001264065226 900899569 /nfs/dbraw/zinc/89/95/69/900899569.db2.gz OHXMQNKHGGZSRO-JKSUJKDBSA-N 2 1 302.422 1.574 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1CC ZINC001264065226 900899573 /nfs/dbraw/zinc/89/95/73/900899573.db2.gz OHXMQNKHGGZSRO-JKSUJKDBSA-N 2 1 302.422 1.574 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001264392154 901080174 /nfs/dbraw/zinc/08/01/74/901080174.db2.gz FHCCVRSJJYMQGD-HRCADAONSA-N 2 1 316.449 1.904 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001280930652 904200125 /nfs/dbraw/zinc/20/01/25/904200125.db2.gz AVMUTBGBXZDTMP-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CO2 ZINC001280970166 904257175 /nfs/dbraw/zinc/25/71/75/904257175.db2.gz XPBLFPJLRPEKPN-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001281672684 905148459 /nfs/dbraw/zinc/14/84/59/905148459.db2.gz BHAQGPVGJGFYEE-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001392919621 905691135 /nfs/dbraw/zinc/69/11/35/905691135.db2.gz RYLFUXFANWNOTK-UONOGXRCSA-N 2 1 311.857 1.994 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001282810975 906061292 /nfs/dbraw/zinc/06/12/92/906061292.db2.gz LQICKKCIKGQZSN-BZUAXINKSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001282810975 906061306 /nfs/dbraw/zinc/06/13/06/906061306.db2.gz LQICKKCIKGQZSN-BZUAXINKSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001282810975 906061315 /nfs/dbraw/zinc/06/13/15/906061315.db2.gz LQICKKCIKGQZSN-BZUAXINKSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCc1nocc1C ZINC001283616901 907684940 /nfs/dbraw/zinc/68/49/40/907684940.db2.gz BYPSFILAJYINRU-HOCLYGCPSA-N 2 1 318.421 1.017 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)NCc1nocc1C ZINC001283616901 907684943 /nfs/dbraw/zinc/68/49/43/907684943.db2.gz BYPSFILAJYINRU-HOCLYGCPSA-N 2 1 318.421 1.017 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001394452970 909661821 /nfs/dbraw/zinc/66/18/21/909661821.db2.gz SLHRUFFTJTUTNJ-DZGCQCFKSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001297280714 916858784 /nfs/dbraw/zinc/85/87/84/916858784.db2.gz JHEHTCPQYGBFFR-QGZVFWFLSA-N 2 1 301.434 1.743 20 30 DDEDMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001377213980 920650991 /nfs/dbraw/zinc/65/09/91/920650991.db2.gz GERKGZPDDOIWAR-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001377758642 922918584 /nfs/dbraw/zinc/91/85/84/922918584.db2.gz KQRJJXFZWFJCCR-AWEZNQCLSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001377758642 922918603 /nfs/dbraw/zinc/91/86/03/922918603.db2.gz KQRJJXFZWFJCCR-AWEZNQCLSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001377758642 922918607 /nfs/dbraw/zinc/91/86/07/922918607.db2.gz KQRJJXFZWFJCCR-AWEZNQCLSA-N 2 1 301.862 1.861 20 30 DDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000320726155 354529033 /nfs/dbraw/zinc/52/90/33/354529033.db2.gz WQGXDOQCRAQRBM-OAHLLOKOSA-N 2 1 300.362 1.093 20 30 DDEDMP N#Cc1cnn2cc(CNC[C@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000597254412 357110664 /nfs/dbraw/zinc/11/06/64/357110664.db2.gz CMZIJDZKNQWLMX-OAHLLOKOSA-N 2 1 324.432 1.813 20 30 DDEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cnc12 ZINC000597254412 357110668 /nfs/dbraw/zinc/11/06/68/357110668.db2.gz CMZIJDZKNQWLMX-OAHLLOKOSA-N 2 1 324.432 1.813 20 30 DDEDMP N#Cc1cnn2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000597254412 357110671 /nfs/dbraw/zinc/11/06/71/357110671.db2.gz CMZIJDZKNQWLMX-OAHLLOKOSA-N 2 1 324.432 1.813 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(CC#N)cc1 ZINC000597942732 357392803 /nfs/dbraw/zinc/39/28/03/357392803.db2.gz MPLOJTRQHXNXBK-HNNXBMFYSA-N 2 1 316.449 1.754 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(CC#N)cc1 ZINC000597942732 357392806 /nfs/dbraw/zinc/39/28/06/357392806.db2.gz MPLOJTRQHXNXBK-HNNXBMFYSA-N 2 1 316.449 1.754 20 30 DDEDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600734509 358301389 /nfs/dbraw/zinc/30/13/89/358301389.db2.gz CSKCNFZBRQCQPE-NVXWUHKLSA-N 2 1 317.433 1.619 20 30 DDEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000609133500 360263324 /nfs/dbraw/zinc/26/33/24/360263324.db2.gz NRWVYIQYFZIYBN-SFHVURJKSA-N 2 1 320.481 1.847 20 30 DDEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000609133500 360263331 /nfs/dbraw/zinc/26/33/31/360263331.db2.gz NRWVYIQYFZIYBN-SFHVURJKSA-N 2 1 320.481 1.847 20 30 DDEDMP C[C@H](CCC#N)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000618887414 363783860 /nfs/dbraw/zinc/78/38/60/363783860.db2.gz YXNNQIUTUDHNJB-MRXNPFEDSA-N 2 1 320.481 1.802 20 30 DDEDMP COc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1C#N ZINC000266182476 205165348 /nfs/dbraw/zinc/16/53/48/205165348.db2.gz GJDCYWKKAYPOSV-UHFFFAOYSA-N 2 1 303.406 1.503 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc2c1OCO2 ZINC000170908952 407549981 /nfs/dbraw/zinc/54/99/81/407549981.db2.gz GVKHLSLIFILDAB-CYBMUJFWSA-N 2 1 304.394 1.304 20 30 DDEDMP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000156965724 408283066 /nfs/dbraw/zinc/28/30/66/408283066.db2.gz JSPMFJVRJXWNFW-ZDUSSCGKSA-N 2 1 305.426 1.441 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158478535 408342820 /nfs/dbraw/zinc/34/28/20/408342820.db2.gz MUVVMCNJEPETNC-HOCLYGCPSA-N 2 1 303.454 1.784 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000282518848 409057624 /nfs/dbraw/zinc/05/76/24/409057624.db2.gz GHHICAUUBAHSOV-DLBZAZTESA-N 2 1 318.465 1.725 20 30 DDEDMP O=C(NCCc1cn2ccccc2n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329281900 410211158 /nfs/dbraw/zinc/21/11/58/410211158.db2.gz FEWHCBGBKXJRHJ-CQSZACIVSA-N 2 1 313.405 1.617 20 30 DDEDMP CC(C)c1nc2c(n1C)CCN(C(=O)NCC[N@@H+](C)C1CC1)C2 ZINC000329281043 410210515 /nfs/dbraw/zinc/21/05/15/410210515.db2.gz MJAMTWSXGBMIAP-UHFFFAOYSA-N 2 1 319.453 1.910 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249490868 222240172 /nfs/dbraw/zinc/24/01/72/222240172.db2.gz ZHPGEJDQRCORGO-JYJNAYRXSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249490868 222240176 /nfs/dbraw/zinc/24/01/76/222240176.db2.gz ZHPGEJDQRCORGO-JYJNAYRXSA-N 2 1 311.470 1.404 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261702644 222254692 /nfs/dbraw/zinc/25/46/92/222254692.db2.gz JJDVQMOLLXISDD-XHSDSOJGSA-N 2 1 308.470 1.262 20 30 DDEDMP C[NH+]=C(NCC1(C2CC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261691289 222255080 /nfs/dbraw/zinc/25/50/80/222255080.db2.gz ILKPTPIVUDMUPU-OAHLLOKOSA-N 2 1 320.481 1.406 20 30 DDEDMP C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262019108 222270207 /nfs/dbraw/zinc/27/02/07/222270207.db2.gz YKMOMUHPGUSJGE-MEDUHNTESA-N 2 1 319.453 1.482 20 30 DDEDMP COc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+]2CCCC2)cc1 ZINC000262628771 222287269 /nfs/dbraw/zinc/28/72/69/222287269.db2.gz FDJYOMBVFIQZLA-CJNGLKHVSA-N 2 1 302.422 1.769 20 30 DDEDMP CCN1CC[NH+](Cc2ccc(CNC3=[NH+]CCN3C)cc2)CC1 ZINC000262667654 222288614 /nfs/dbraw/zinc/28/86/14/222288614.db2.gz PNWRYZCGQGLFJM-UHFFFAOYSA-N 2 1 315.465 1.215 20 30 DDEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262792922 222294476 /nfs/dbraw/zinc/29/44/76/222294476.db2.gz LCQUOFDARYDXIC-AWEZNQCLSA-N 2 1 318.469 1.186 20 30 DDEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262809895 222296034 /nfs/dbraw/zinc/29/60/34/222296034.db2.gz TZPIYQZJPZSBRQ-XNJGSVPQSA-N 2 1 320.437 1.277 20 30 DDEDMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)Nc1cccc2c1CCCC2 ZINC000263128667 222303690 /nfs/dbraw/zinc/30/36/90/222303690.db2.gz MTXDTHWUXAYILP-UHFFFAOYSA-N 2 1 316.449 1.749 20 30 DDEDMP CCN(CC)C(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000264080865 222314222 /nfs/dbraw/zinc/31/42/22/222314222.db2.gz INPWDTLHHBMTQJ-UHFFFAOYSA-N 2 1 304.438 1.675 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N(C)C)c(F)c1 ZINC000264093575 222316403 /nfs/dbraw/zinc/31/64/03/222316403.db2.gz LVBMOJURQLHJFV-AWEZNQCLSA-N 2 1 321.444 1.780 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000368016524 418674497 /nfs/dbraw/zinc/67/44/97/418674497.db2.gz CFIQSTLBGDWTGV-NVXWUHKLSA-N 2 1 320.481 1.763 20 30 DDEDMP C#CCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363122571 418762120 /nfs/dbraw/zinc/76/21/20/418762120.db2.gz QCRFUNHZQCTHAO-UHFFFAOYSA-N 2 1 306.454 1.115 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000424179070 228241828 /nfs/dbraw/zinc/24/18/28/228241828.db2.gz SGYWMWVHBOLNLW-LSDHHAIUSA-N 2 1 320.824 1.834 20 30 DDEDMP C=CCNC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697505 420277110 /nfs/dbraw/zinc/27/71/10/420277110.db2.gz YHJQFWZDTLCVGX-OAHLLOKOSA-N 2 1 319.474 1.994 20 30 DDEDMP C=CCNC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697505 420277113 /nfs/dbraw/zinc/27/71/13/420277113.db2.gz YHJQFWZDTLCVGX-OAHLLOKOSA-N 2 1 319.474 1.994 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635532084 422081155 /nfs/dbraw/zinc/08/11/55/422081155.db2.gz YYAITPKARMOBNH-HZPDHXFCSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[C@]1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678193 424732259 /nfs/dbraw/zinc/73/22/59/424732259.db2.gz CEFTXSLDZODEJO-LJQANCHMSA-N 2 1 313.445 1.859 20 30 DDEDMP C=CC[C@]1(C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678193 424732262 /nfs/dbraw/zinc/73/22/62/424732262.db2.gz CEFTXSLDZODEJO-LJQANCHMSA-N 2 1 313.445 1.859 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530230217 266823405 /nfs/dbraw/zinc/82/34/05/266823405.db2.gz FTALVTCRSYLHOL-KRWDZBQOSA-N 2 1 315.417 1.538 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCCC(C)(C)C1 ZINC000262806138 279303567 /nfs/dbraw/zinc/30/35/67/279303567.db2.gz SEIOSRRXYDDQDF-RHSMWYFYSA-N 2 1 310.486 1.706 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000174776958 340395900 /nfs/dbraw/zinc/39/59/00/340395900.db2.gz JUUUMGQOIBGZCC-HOCLYGCPSA-N 2 1 308.470 1.761 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424164539 533790275 /nfs/dbraw/zinc/79/02/75/533790275.db2.gz ZOMANBIHYSFGTP-ZNMIVQPWSA-N 2 1 308.470 1.880 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458319371 526425381 /nfs/dbraw/zinc/42/53/81/526425381.db2.gz GGTAJCGPKVZTIP-INIZCTEOSA-N 2 1 308.470 1.761 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000491753414 526814432 /nfs/dbraw/zinc/81/44/32/526814432.db2.gz OCLOVVDRFUHRQK-OAHLLOKOSA-N 2 1 322.478 1.605 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000491741227 526828148 /nfs/dbraw/zinc/82/81/48/526828148.db2.gz ZAAISFKYKNDACK-UHFFFAOYSA-N 2 1 316.449 1.626 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000491741227 526828154 /nfs/dbraw/zinc/82/81/54/526828154.db2.gz ZAAISFKYKNDACK-UHFFFAOYSA-N 2 1 316.449 1.626 20 30 DDEDMP C=CCOc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352715261 526869548 /nfs/dbraw/zinc/86/95/48/526869548.db2.gz CGCCBFPNDFUPQZ-QGZVFWFLSA-N 2 1 301.434 1.731 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000491119104 526986309 /nfs/dbraw/zinc/98/63/09/526986309.db2.gz HCKFWKBXYHNJBX-SJLPKXTDSA-N 2 1 313.445 1.626 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C)C(C)C ZINC000344485370 527649430 /nfs/dbraw/zinc/64/94/30/527649430.db2.gz WDBWNKHURXDOLE-ARFHVFGLSA-N 2 1 309.454 1.178 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554613 695281292 /nfs/dbraw/zinc/28/12/92/695281292.db2.gz RAXXUFUYTJMMHS-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554613 695281293 /nfs/dbraw/zinc/28/12/93/695281293.db2.gz RAXXUFUYTJMMHS-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746870589 700042808 /nfs/dbraw/zinc/04/28/08/700042808.db2.gz FMVGVFXVAGKYAK-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000746870589 700042810 /nfs/dbraw/zinc/04/28/10/700042810.db2.gz FMVGVFXVAGKYAK-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC000978281705 696357665 /nfs/dbraw/zinc/35/76/65/696357665.db2.gz LNNQXWFARPZSLX-FJIDUMEYSA-N 2 1 315.461 1.344 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC000978281705 696357668 /nfs/dbraw/zinc/35/76/68/696357668.db2.gz LNNQXWFARPZSLX-FJIDUMEYSA-N 2 1 315.461 1.344 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC=C(C)C)C[C@H]21 ZINC000978281705 696357670 /nfs/dbraw/zinc/35/76/70/696357670.db2.gz LNNQXWFARPZSLX-FJIDUMEYSA-N 2 1 315.461 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC=C(C)C)C[C@H]21 ZINC000978281705 696357673 /nfs/dbraw/zinc/35/76/73/696357673.db2.gz LNNQXWFARPZSLX-FJIDUMEYSA-N 2 1 315.461 1.344 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978681396 696439125 /nfs/dbraw/zinc/43/91/25/696439125.db2.gz TYSXBPJAVZGXJL-QKDCVEJESA-N 2 1 311.857 1.375 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC000978948218 696478892 /nfs/dbraw/zinc/47/88/92/696478892.db2.gz XGKUCOJPQJXVBJ-FJIDUMEYSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978948218 696478893 /nfs/dbraw/zinc/47/88/93/696478893.db2.gz XGKUCOJPQJXVBJ-FJIDUMEYSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC000978948218 696478894 /nfs/dbraw/zinc/47/88/94/696478894.db2.gz XGKUCOJPQJXVBJ-FJIDUMEYSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981870830 696948842 /nfs/dbraw/zinc/94/88/42/696948842.db2.gz BMEQFIUYMIFHIV-UHFFFAOYSA-N 2 1 315.461 1.563 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013464 697003681 /nfs/dbraw/zinc/00/36/81/697003681.db2.gz STLCKSMLMSRTHL-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013464 697003683 /nfs/dbraw/zinc/00/36/83/697003683.db2.gz STLCKSMLMSRTHL-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982013464 697003685 /nfs/dbraw/zinc/00/36/85/697003685.db2.gz STLCKSMLMSRTHL-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178571922 697426307 /nfs/dbraw/zinc/42/63/07/697426307.db2.gz JVZXPLFNSFONCR-ZBFHGGJFSA-N 2 1 310.486 1.970 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000985743195 697566407 /nfs/dbraw/zinc/56/64/07/697566407.db2.gz LJUQPEDPLMNPKA-UHFFFAOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC3CC3)CC2)CC1 ZINC000985804501 697576993 /nfs/dbraw/zinc/57/69/93/697576993.db2.gz QTFDDEGEONPJOW-UHFFFAOYSA-N 2 1 317.477 1.664 20 30 DDEDMP CCN1CC[NH+](Cc2ccc(CNC3=[NH+]C[C@@H](C)N3)cc2)CC1 ZINC000262475863 698471048 /nfs/dbraw/zinc/47/10/48/698471048.db2.gz BXYVYWITIOBIFP-OAHLLOKOSA-N 2 1 315.465 1.261 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(F)cc1 ZINC000304813960 698625433 /nfs/dbraw/zinc/62/54/33/698625433.db2.gz ZITFGHURJSYMOQ-DZGCQCFKSA-N 2 1 322.428 1.982 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000305025355 698627361 /nfs/dbraw/zinc/62/73/61/698627361.db2.gz PFRSGNKVKRGZKX-CVEARBPZSA-N 3 1 309.502 1.353 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305025355 698627365 /nfs/dbraw/zinc/62/73/65/698627365.db2.gz PFRSGNKVKRGZKX-CVEARBPZSA-N 3 1 309.502 1.353 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000305025355 698627368 /nfs/dbraw/zinc/62/73/68/698627368.db2.gz PFRSGNKVKRGZKX-CVEARBPZSA-N 3 1 309.502 1.353 20 30 DDEDMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000305769747 698654990 /nfs/dbraw/zinc/65/49/90/698654990.db2.gz JIPAVGSQEACVTM-HOCLYGCPSA-N 2 1 303.406 1.696 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990788081 699159861 /nfs/dbraw/zinc/15/98/61/699159861.db2.gz GMTHUIOZRKMLGB-KONPQCLYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990788081 699159863 /nfs/dbraw/zinc/15/98/63/699159863.db2.gz GMTHUIOZRKMLGB-KONPQCLYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990788081 699159864 /nfs/dbraw/zinc/15/98/64/699159864.db2.gz GMTHUIOZRKMLGB-KONPQCLYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991860403 699425851 /nfs/dbraw/zinc/42/58/51/699425851.db2.gz LJERBAFDVWLVMX-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991860403 699425854 /nfs/dbraw/zinc/42/58/54/699425854.db2.gz LJERBAFDVWLVMX-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP C=CCC(F)(F)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000815097584 701799008 /nfs/dbraw/zinc/79/90/08/701799008.db2.gz JGNBLRSWJFSTBH-UHFFFAOYSA-N 2 1 310.348 1.983 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868284073 702041807 /nfs/dbraw/zinc/04/18/07/702041807.db2.gz OSQKPIRNVLPJAQ-GDBMZVCRSA-N 2 1 306.454 1.372 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000868653418 702247457 /nfs/dbraw/zinc/24/74/57/702247457.db2.gz VLEVMZBCUUSIOM-UHFFFAOYSA-N 2 1 322.497 1.751 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000879579464 706726028 /nfs/dbraw/zinc/72/60/28/706726028.db2.gz MLZLHABWVQMTJB-BRWVUGGUSA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000879579464 706726029 /nfs/dbraw/zinc/72/60/29/706726029.db2.gz MLZLHABWVQMTJB-BRWVUGGUSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000879579464 706726032 /nfs/dbraw/zinc/72/60/32/706726032.db2.gz MLZLHABWVQMTJB-BRWVUGGUSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CC[C@H]21 ZINC000879579464 706726033 /nfs/dbraw/zinc/72/60/33/706726033.db2.gz MLZLHABWVQMTJB-BRWVUGGUSA-N 2 1 315.417 1.324 20 30 DDEDMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000852867881 704154207 /nfs/dbraw/zinc/15/42/07/704154207.db2.gz GCHVXBROISJGSS-INIZCTEOSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000858493725 704718363 /nfs/dbraw/zinc/71/83/63/704718363.db2.gz FKRNEJRCNDSBGN-KRWDZBQOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858493725 704718365 /nfs/dbraw/zinc/71/83/65/704718365.db2.gz FKRNEJRCNDSBGN-KRWDZBQOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000858493725 704718367 /nfs/dbraw/zinc/71/83/67/704718367.db2.gz FKRNEJRCNDSBGN-KRWDZBQOSA-N 2 1 320.481 1.648 20 30 DDEDMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)cc1 ZINC000859212441 704823224 /nfs/dbraw/zinc/82/32/24/704823224.db2.gz KFXAXKINUMJGDS-UHFFFAOYSA-N 2 1 314.433 1.742 20 30 DDEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)cc1 ZINC000859212441 704823228 /nfs/dbraw/zinc/82/32/28/704823228.db2.gz KFXAXKINUMJGDS-UHFFFAOYSA-N 2 1 314.433 1.742 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000876765692 705865838 /nfs/dbraw/zinc/86/58/38/705865838.db2.gz WWLPGMOALHOECA-ZDUSSCGKSA-N 2 1 324.812 1.595 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2coc(C#N)c2)CC1 ZINC000864983998 706318773 /nfs/dbraw/zinc/31/87/73/706318773.db2.gz CDHZYWFXKNXVEI-UHFFFAOYSA-N 2 1 311.345 1.550 20 30 DDEDMP Cc1nccnc1[C@H](C)NCC#CC[NH2+][C@@H](C)c1nccnc1C ZINC000880109233 706880401 /nfs/dbraw/zinc/88/04/01/706880401.db2.gz UFYAKEJDKSXUAH-KBPBESRZSA-N 2 1 324.432 1.888 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000883131663 707936080 /nfs/dbraw/zinc/93/60/80/707936080.db2.gz MEESCTYEMHPWMZ-UHFFFAOYSA-N 2 1 301.369 1.451 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000883131663 707936083 /nfs/dbraw/zinc/93/60/83/707936083.db2.gz MEESCTYEMHPWMZ-UHFFFAOYSA-N 2 1 301.369 1.451 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000883713467 708053645 /nfs/dbraw/zinc/05/36/45/708053645.db2.gz OIAIJQILBOBXSL-UHFFFAOYSA-N 2 1 322.497 1.849 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000884124814 708150105 /nfs/dbraw/zinc/15/01/05/708150105.db2.gz HTKQGMURNFNPNS-HRCADAONSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000884124814 708150108 /nfs/dbraw/zinc/15/01/08/708150108.db2.gz HTKQGMURNFNPNS-HRCADAONSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000884124814 708150111 /nfs/dbraw/zinc/15/01/11/708150111.db2.gz HTKQGMURNFNPNS-HRCADAONSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000884124814 708150113 /nfs/dbraw/zinc/15/01/13/708150113.db2.gz HTKQGMURNFNPNS-HRCADAONSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000884141741 708157919 /nfs/dbraw/zinc/15/79/19/708157919.db2.gz HIUAEFIZMZYBAW-ZACQAIPSSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000884141741 708157921 /nfs/dbraw/zinc/15/79/21/708157921.db2.gz HIUAEFIZMZYBAW-ZACQAIPSSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000884141741 708157923 /nfs/dbraw/zinc/15/79/23/708157923.db2.gz HIUAEFIZMZYBAW-ZACQAIPSSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000884141741 708157925 /nfs/dbraw/zinc/15/79/25/708157925.db2.gz HIUAEFIZMZYBAW-ZACQAIPSSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC=C)CC2)C1 ZINC000884162115 708166501 /nfs/dbraw/zinc/16/65/01/708166501.db2.gz WKHPHXJYNYJYAF-MRXNPFEDSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC=C)CC2)C1 ZINC000884162115 708166504 /nfs/dbraw/zinc/16/65/04/708166504.db2.gz WKHPHXJYNYJYAF-MRXNPFEDSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000884410876 708285647 /nfs/dbraw/zinc/28/56/47/708285647.db2.gz VNRPODIYGGEZLR-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000884410876 708285650 /nfs/dbraw/zinc/28/56/50/708285650.db2.gz VNRPODIYGGEZLR-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000884410876 708285651 /nfs/dbraw/zinc/28/56/51/708285651.db2.gz VNRPODIYGGEZLR-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000884410876 708285653 /nfs/dbraw/zinc/28/56/53/708285653.db2.gz VNRPODIYGGEZLR-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000886664284 708809717 /nfs/dbraw/zinc/80/97/17/708809717.db2.gz IBGDXZZFYOODIL-QZTJIDSGSA-N 2 1 305.466 1.317 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000900050310 709276938 /nfs/dbraw/zinc/27/69/38/709276938.db2.gz DZYQQYPQWCTWNT-GJZGRUSLSA-N 2 1 311.470 1.498 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000890365083 709838256 /nfs/dbraw/zinc/83/82/56/709838256.db2.gz OONCQYFQJPZOIH-ULQDDVLXSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000890365083 709838261 /nfs/dbraw/zinc/83/82/61/709838261.db2.gz OONCQYFQJPZOIH-ULQDDVLXSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000890365525 709838991 /nfs/dbraw/zinc/83/89/91/709838991.db2.gz VJJQASUIXLLGIN-VPSFDDGASA-N 2 1 318.465 1.351 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000890365525 709838995 /nfs/dbraw/zinc/83/89/95/709838995.db2.gz VJJQASUIXLLGIN-VPSFDDGASA-N 2 1 318.465 1.351 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000890365525 709839001 /nfs/dbraw/zinc/83/90/01/709839001.db2.gz VJJQASUIXLLGIN-VPSFDDGASA-N 2 1 318.465 1.351 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000890365525 709839005 /nfs/dbraw/zinc/83/90/05/709839005.db2.gz VJJQASUIXLLGIN-VPSFDDGASA-N 2 1 318.465 1.351 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000913523976 713245658 /nfs/dbraw/zinc/24/56/58/713245658.db2.gz UKKRLSHKIQWUNK-HNNXBMFYSA-N 2 1 307.825 1.624 20 30 DDEDMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2cc(C#N)cs2)cnn1C ZINC000904469151 711861123 /nfs/dbraw/zinc/86/11/23/711861123.db2.gz ITYYKLOFGGFONF-ZDUSSCGKSA-N 2 1 317.462 1.911 20 30 DDEDMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2cc(C#N)cs2)cnn1C ZINC000904469151 711861124 /nfs/dbraw/zinc/86/11/24/711861124.db2.gz ITYYKLOFGGFONF-ZDUSSCGKSA-N 2 1 317.462 1.911 20 30 DDEDMP C=CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC000923309635 714306394 /nfs/dbraw/zinc/30/63/94/714306394.db2.gz MSXCLCHOSXSOJO-WTXIUTQJSA-N 2 1 312.479 1.582 20 30 DDEDMP C=CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCS(=O)(=O)C1 ZINC000923309635 714306397 /nfs/dbraw/zinc/30/63/97/714306397.db2.gz MSXCLCHOSXSOJO-WTXIUTQJSA-N 2 1 312.479 1.582 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000923564357 714406567 /nfs/dbraw/zinc/40/65/67/714406567.db2.gz WZDHGCDBCBKJRS-OAHLLOKOSA-N 2 1 300.406 1.122 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000923564357 714406568 /nfs/dbraw/zinc/40/65/68/714406568.db2.gz WZDHGCDBCBKJRS-OAHLLOKOSA-N 2 1 300.406 1.122 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000923564620 714406586 /nfs/dbraw/zinc/40/65/86/714406586.db2.gz ALNAWISBDIZVMF-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000923564620 714406587 /nfs/dbraw/zinc/40/65/87/714406587.db2.gz ALNAWISBDIZVMF-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000923564620 714406588 /nfs/dbraw/zinc/40/65/88/714406588.db2.gz ALNAWISBDIZVMF-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000923564620 714406589 /nfs/dbraw/zinc/40/65/89/714406589.db2.gz ALNAWISBDIZVMF-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000957602855 715966480 /nfs/dbraw/zinc/96/64/80/715966480.db2.gz IVQTVHRPZNQYAF-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960522002 716596836 /nfs/dbraw/zinc/59/68/36/716596836.db2.gz HMTQXQSRSNHQSZ-ZSHCYNCHSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961439276 716947712 /nfs/dbraw/zinc/94/77/12/716947712.db2.gz HBZBVGKIALAJNA-GOSISDBHSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941032967 717081531 /nfs/dbraw/zinc/08/15/31/717081531.db2.gz KKJBIIIULVWPOJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941032967 717081535 /nfs/dbraw/zinc/08/15/35/717081535.db2.gz KKJBIIIULVWPOJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941032967 717081541 /nfs/dbraw/zinc/08/15/41/717081541.db2.gz KKJBIIIULVWPOJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961954155 717259697 /nfs/dbraw/zinc/25/96/97/717259697.db2.gz DIUZVVYPMGPEHE-NCOADZHNSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962054000 717289104 /nfs/dbraw/zinc/28/91/04/717289104.db2.gz YEJDMEJLFIIOQT-PIIMJCKOSA-N 2 1 311.429 1.432 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@H](C)F)C[C@H]32)CC1 ZINC000962773712 717582756 /nfs/dbraw/zinc/58/27/56/717582756.db2.gz JVKLZLNABBREHO-QMCVQRASSA-N 2 1 321.440 1.126 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942444160 717678432 /nfs/dbraw/zinc/67/84/32/717678432.db2.gz LVKVFACDGNRQQP-GDBMZVCRSA-N 2 1 323.400 1.341 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520209 717715675 /nfs/dbraw/zinc/71/56/75/717715675.db2.gz BOCBTUQDOFILIK-CABCVRRESA-N 2 1 316.449 1.775 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520209 717715680 /nfs/dbraw/zinc/71/56/80/717715680.db2.gz BOCBTUQDOFILIK-CABCVRRESA-N 2 1 316.449 1.775 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944046135 718247422 /nfs/dbraw/zinc/24/74/22/718247422.db2.gz HABJOOGJTRVVKO-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904441 718704165 /nfs/dbraw/zinc/70/41/65/718704165.db2.gz OYJYFQGIKGIKOB-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536729 718823046 /nfs/dbraw/zinc/82/30/46/718823046.db2.gz WBKHITDKVZNVIE-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536729 718823050 /nfs/dbraw/zinc/82/30/50/718823050.db2.gz WBKHITDKVZNVIE-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536729 718823056 /nfs/dbraw/zinc/82/30/56/718823056.db2.gz WBKHITDKVZNVIE-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536729 718823059 /nfs/dbraw/zinc/82/30/59/718823059.db2.gz WBKHITDKVZNVIE-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948381752 719475509 /nfs/dbraw/zinc/47/55/09/719475509.db2.gz VCHIXGSQTZYXPL-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948381752 719475514 /nfs/dbraw/zinc/47/55/14/719475514.db2.gz VCHIXGSQTZYXPL-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948381752 719475516 /nfs/dbraw/zinc/47/55/16/719475516.db2.gz VCHIXGSQTZYXPL-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583243 719562103 /nfs/dbraw/zinc/56/21/03/719562103.db2.gz MBFJMXWSKJEXSJ-KRWDZBQOSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC000968925342 719874783 /nfs/dbraw/zinc/87/47/83/719874783.db2.gz AMBXUOUBFPEXFK-JKSUJKDBSA-N 2 1 314.433 1.440 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114419 719964826 /nfs/dbraw/zinc/96/48/26/719964826.db2.gz JIFAEJJPOYAYFU-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969833373 720525584 /nfs/dbraw/zinc/52/55/84/720525584.db2.gz MNVYTERPRNBRLT-HZPDHXFCSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023554794 735309327 /nfs/dbraw/zinc/30/93/27/735309327.db2.gz PYFTYOWHKNGPAK-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554794 735309331 /nfs/dbraw/zinc/30/93/31/735309331.db2.gz PYFTYOWHKNGPAK-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554794 735309334 /nfs/dbraw/zinc/30/93/34/735309334.db2.gz PYFTYOWHKNGPAK-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761669 735449196 /nfs/dbraw/zinc/44/91/96/735449196.db2.gz GLWCATHCOYFUSK-KRWDZBQOSA-N 2 1 313.445 1.823 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027633600 738493322 /nfs/dbraw/zinc/49/33/22/738493322.db2.gz ACAOTXWRPYSQGZ-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020396886 732315736 /nfs/dbraw/zinc/31/57/36/732315736.db2.gz HQMXXMUHYRIJIF-QAQDUYKDSA-N 2 1 323.400 1.500 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529709 738657071 /nfs/dbraw/zinc/65/70/71/738657071.db2.gz LPNOMGLCAHVPEB-RYRKJORJSA-N 2 1 305.466 1.733 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001112529879 738663172 /nfs/dbraw/zinc/66/31/72/738663172.db2.gz SVGLPKNNOPQKNU-AOIWGVFYSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021644236 733397444 /nfs/dbraw/zinc/39/74/44/733397444.db2.gz FKSCOEZDIQXWFY-HOTGVXAUSA-N 2 1 302.422 1.772 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735132 733494836 /nfs/dbraw/zinc/49/48/36/733494836.db2.gz BTWLQGLMZJDCEE-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735132 733494837 /nfs/dbraw/zinc/49/48/37/733494837.db2.gz BTWLQGLMZJDCEE-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001098572707 734906737 /nfs/dbraw/zinc/90/67/37/734906737.db2.gz XGSCTXOMFMBLGE-UHFFFAOYSA-N 2 1 323.481 1.334 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173262708 735127686 /nfs/dbraw/zinc/12/76/86/735127686.db2.gz FOPVVWZBXUQQGC-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317857 736078577 /nfs/dbraw/zinc/07/85/77/736078577.db2.gz NXTVUZVEQSASBJ-PVAVHDDUSA-N 2 1 305.466 1.873 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001019772824 736920804 /nfs/dbraw/zinc/92/08/04/736920804.db2.gz SVXBQLSJCWNOKR-OLZOCXBDSA-N 2 1 318.446 1.262 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755854 739996721 /nfs/dbraw/zinc/99/67/21/739996721.db2.gz UMZIUSPKFWQHIL-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755854 739996724 /nfs/dbraw/zinc/99/67/24/739996724.db2.gz UMZIUSPKFWQHIL-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755854 739996726 /nfs/dbraw/zinc/99/67/26/739996726.db2.gz UMZIUSPKFWQHIL-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001029004175 740249329 /nfs/dbraw/zinc/24/93/29/740249329.db2.gz URMLSXCQXHUZNM-MIOHMZDASA-N 2 1 323.868 1.522 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037927141 751565079 /nfs/dbraw/zinc/56/50/79/751565079.db2.gz PFVOEDKTVGQVSD-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CC3)CC[C@@H]2C1 ZINC001087998067 740939491 /nfs/dbraw/zinc/93/94/91/740939491.db2.gz PHSUQTMYZHNHAL-SQNIBIBYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CC3)CC[C@@H]2C1 ZINC001087998067 740939493 /nfs/dbraw/zinc/93/94/93/740939493.db2.gz PHSUQTMYZHNHAL-SQNIBIBYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]2C1 ZINC001087998067 740939494 /nfs/dbraw/zinc/93/94/94/740939494.db2.gz PHSUQTMYZHNHAL-SQNIBIBYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC3)CC[C@@H]2C1 ZINC001087998067 740939496 /nfs/dbraw/zinc/93/94/96/740939496.db2.gz PHSUQTMYZHNHAL-SQNIBIBYSA-N 2 1 315.461 1.274 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106717 741034354 /nfs/dbraw/zinc/03/43/54/741034354.db2.gz NMBAACRNQXFQIB-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106717 741034357 /nfs/dbraw/zinc/03/43/57/741034357.db2.gz NMBAACRNQXFQIB-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106717 741034360 /nfs/dbraw/zinc/03/43/60/741034360.db2.gz NMBAACRNQXFQIB-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC001076228803 742610588 /nfs/dbraw/zinc/61/05/88/742610588.db2.gz LDFVIHBRSBNJRJ-OFQRWUPVSA-N 2 1 314.433 1.938 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001002160310 742904563 /nfs/dbraw/zinc/90/45/63/742904563.db2.gz WARUVLAJDVLPJF-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001151049400 743269181 /nfs/dbraw/zinc/26/91/81/743269181.db2.gz NLMHGGFBSHQFAV-OAHLLOKOSA-N 2 1 319.836 1.349 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396514 743498836 /nfs/dbraw/zinc/49/88/36/743498836.db2.gz UTEYSMHJOKEQHE-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396514 743498842 /nfs/dbraw/zinc/49/88/42/743498842.db2.gz UTEYSMHJOKEQHE-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396514 743498848 /nfs/dbraw/zinc/49/88/48/743498848.db2.gz UTEYSMHJOKEQHE-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CN1CC(OC2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001105733997 743768580 /nfs/dbraw/zinc/76/85/80/743768580.db2.gz UZZZFMHKWIVROS-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185119580 744164619 /nfs/dbraw/zinc/16/46/19/744164619.db2.gz HZYTXUJCQLGMIZ-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898546 744352392 /nfs/dbraw/zinc/35/23/92/744352392.db2.gz KHJUCFNMWJRJCH-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898546 744352395 /nfs/dbraw/zinc/35/23/95/744352395.db2.gz KHJUCFNMWJRJCH-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898546 744352400 /nfs/dbraw/zinc/35/24/00/744352400.db2.gz KHJUCFNMWJRJCH-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898546 744352403 /nfs/dbraw/zinc/35/24/03/744352403.db2.gz KHJUCFNMWJRJCH-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035851159 751922369 /nfs/dbraw/zinc/92/23/69/751922369.db2.gz HGGRWUUXDRRBOS-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034644 744496274 /nfs/dbraw/zinc/49/62/74/744496274.db2.gz KVVRGNZRPVAKJY-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC000992703484 745127807 /nfs/dbraw/zinc/12/78/07/745127807.db2.gz BDYRPKGQLXJYQR-HYVNUMGLSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190203210 745151101 /nfs/dbraw/zinc/15/11/01/745151101.db2.gz JJUKPDITPCSLLK-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744556 745314851 /nfs/dbraw/zinc/31/48/51/745314851.db2.gz RPWOVIRZLVKOAF-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190744556 745314857 /nfs/dbraw/zinc/31/48/57/745314857.db2.gz RPWOVIRZLVKOAF-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190744556 745314863 /nfs/dbraw/zinc/31/48/63/745314863.db2.gz RPWOVIRZLVKOAF-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001191294983 745473906 /nfs/dbraw/zinc/47/39/06/745473906.db2.gz KMKFLGWZMSXNSA-MRXNPFEDSA-N 2 1 323.400 1.437 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500174 746115850 /nfs/dbraw/zinc/11/58/50/746115850.db2.gz QRWIDQCDXXLDFJ-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994167086 746470921 /nfs/dbraw/zinc/47/09/21/746470921.db2.gz LOTOEMOWWGMPJC-CRAIPNDOSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310343 746656640 /nfs/dbraw/zinc/65/66/40/746656640.db2.gz JXMYMFAACSPECH-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCF)[C@H]2C)CC1 ZINC000994501329 746697377 /nfs/dbraw/zinc/69/73/77/746697377.db2.gz SVBCVSLMEXQIEN-GOEBONIOSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCF)[C@H]2C)CC1 ZINC000994501329 746697380 /nfs/dbraw/zinc/69/73/80/746697380.db2.gz SVBCVSLMEXQIEN-GOEBONIOSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCOCC)CC1 ZINC001196191368 746787602 /nfs/dbraw/zinc/78/76/02/746787602.db2.gz DSCCVZFFVYTYTR-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCOCC)CC1 ZINC001196191368 746787607 /nfs/dbraw/zinc/78/76/07/746787607.db2.gz DSCCVZFFVYTYTR-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCOCC)CC1 ZINC001196191368 746787611 /nfs/dbraw/zinc/78/76/11/746787611.db2.gz DSCCVZFFVYTYTR-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCOCC)CC1 ZINC001196191368 746787614 /nfs/dbraw/zinc/78/76/14/746787614.db2.gz DSCCVZFFVYTYTR-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089488806 747072075 /nfs/dbraw/zinc/07/20/75/747072075.db2.gz YFRBOQOJOXLNIX-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089488806 747072083 /nfs/dbraw/zinc/07/20/83/747072083.db2.gz YFRBOQOJOXLNIX-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089488806 747072087 /nfs/dbraw/zinc/07/20/87/747072087.db2.gz YFRBOQOJOXLNIX-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(CC)CC)C1 ZINC001031742874 747636516 /nfs/dbraw/zinc/63/65/16/747636516.db2.gz UNUSIOHMHCRJQM-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC(CC)CC)C1 ZINC001031742874 747636521 /nfs/dbraw/zinc/63/65/21/747636521.db2.gz UNUSIOHMHCRJQM-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1OC ZINC001198968547 747664754 /nfs/dbraw/zinc/66/47/54/747664754.db2.gz NOKSBDLYEBVHJG-MRXNPFEDSA-N 2 1 319.449 1.970 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001004383432 748391700 /nfs/dbraw/zinc/39/17/00/748391700.db2.gz YOCXUAIHRIVNCZ-SJORKVTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004383432 748391704 /nfs/dbraw/zinc/39/17/04/748391704.db2.gz YOCXUAIHRIVNCZ-SJORKVTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004383432 748391709 /nfs/dbraw/zinc/39/17/09/748391709.db2.gz YOCXUAIHRIVNCZ-SJORKVTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004383432 748391717 /nfs/dbraw/zinc/39/17/17/748391717.db2.gz YOCXUAIHRIVNCZ-SJORKVTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004383432 748391720 /nfs/dbraw/zinc/39/17/20/748391720.db2.gz YOCXUAIHRIVNCZ-SJORKVTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201402091 748498402 /nfs/dbraw/zinc/49/84/02/748498402.db2.gz APICXKOEAOWGSW-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033222565 748976886 /nfs/dbraw/zinc/97/68/86/748976886.db2.gz HGASAPDSDMVFEZ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033222565 748976890 /nfs/dbraw/zinc/97/68/90/748976890.db2.gz HGASAPDSDMVFEZ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033222565 748976894 /nfs/dbraw/zinc/97/68/94/748976894.db2.gz HGASAPDSDMVFEZ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033222565 748976899 /nfs/dbraw/zinc/97/68/99/748976899.db2.gz HGASAPDSDMVFEZ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033222565 748976901 /nfs/dbraw/zinc/97/69/01/748976901.db2.gz HGASAPDSDMVFEZ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357578 749261915 /nfs/dbraw/zinc/26/19/15/749261915.db2.gz IGAWXBUTAACHIT-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357578 749261917 /nfs/dbraw/zinc/26/19/17/749261917.db2.gz IGAWXBUTAACHIT-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357578 749261920 /nfs/dbraw/zinc/26/19/20/749261920.db2.gz IGAWXBUTAACHIT-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357578 749261923 /nfs/dbraw/zinc/26/19/23/749261923.db2.gz IGAWXBUTAACHIT-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343589 761960114 /nfs/dbraw/zinc/96/01/14/761960114.db2.gz VIVDOJSLTIMGIW-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343589 761960119 /nfs/dbraw/zinc/96/01/19/761960119.db2.gz VIVDOJSLTIMGIW-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343589 761960126 /nfs/dbraw/zinc/96/01/26/761960126.db2.gz VIVDOJSLTIMGIW-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897245 750081982 /nfs/dbraw/zinc/08/19/82/750081982.db2.gz IRHLYWRSIXVKFZ-KRWDZBQOSA-N 2 1 310.401 1.894 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447276 762040063 /nfs/dbraw/zinc/04/00/63/762040063.db2.gz GLLYUQZYBDYTJH-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001039447276 762040071 /nfs/dbraw/zinc/04/00/71/762040071.db2.gz GLLYUQZYBDYTJH-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000681032 762083963 /nfs/dbraw/zinc/08/39/63/762083963.db2.gz YFINCUFUXNFXEW-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001000681032 762083969 /nfs/dbraw/zinc/08/39/69/762083969.db2.gz YFINCUFUXNFXEW-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001000681032 762083978 /nfs/dbraw/zinc/08/39/78/762083978.db2.gz YFINCUFUXNFXEW-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284027 752652953 /nfs/dbraw/zinc/65/29/53/752652953.db2.gz XEFSSUIRBUGBJT-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284027 752652956 /nfs/dbraw/zinc/65/29/56/752652956.db2.gz XEFSSUIRBUGBJT-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284027 752652957 /nfs/dbraw/zinc/65/29/57/752652957.db2.gz XEFSSUIRBUGBJT-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284027 752652959 /nfs/dbraw/zinc/65/29/59/752652959.db2.gz XEFSSUIRBUGBJT-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032710539 752801310 /nfs/dbraw/zinc/80/13/10/752801310.db2.gz FVUUZZHDNIANMM-IRXDYDNUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001009629204 753289029 /nfs/dbraw/zinc/28/90/29/753289029.db2.gz ROCHQGFEQAWICC-SJORKVTESA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001009629204 753289035 /nfs/dbraw/zinc/28/90/35/753289035.db2.gz ROCHQGFEQAWICC-SJORKVTESA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997298 753392819 /nfs/dbraw/zinc/39/28/19/753392819.db2.gz WFJRUIIBJXWKGV-KRWDZBQOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997298 753392822 /nfs/dbraw/zinc/39/28/22/753392822.db2.gz WFJRUIIBJXWKGV-KRWDZBQOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997298 753392829 /nfs/dbraw/zinc/39/28/29/753392829.db2.gz WFJRUIIBJXWKGV-KRWDZBQOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997298 753392833 /nfs/dbraw/zinc/39/28/33/753392833.db2.gz WFJRUIIBJXWKGV-KRWDZBQOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108007220 753494397 /nfs/dbraw/zinc/49/43/97/753494397.db2.gz PJXKGJIMVLEBGS-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007220 753494400 /nfs/dbraw/zinc/49/44/00/753494400.db2.gz PJXKGJIMVLEBGS-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007220 753494405 /nfs/dbraw/zinc/49/44/05/753494405.db2.gz PJXKGJIMVLEBGS-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001108024613 753575850 /nfs/dbraw/zinc/57/58/50/753575850.db2.gz NFIJFTMDADZERC-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108024613 753575855 /nfs/dbraw/zinc/57/58/55/753575855.db2.gz NFIJFTMDADZERC-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108024613 753575857 /nfs/dbraw/zinc/57/58/57/753575857.db2.gz NFIJFTMDADZERC-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108032650 753807364 /nfs/dbraw/zinc/80/73/64/753807364.db2.gz CXFQCAALEJNWIX-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032650 753807370 /nfs/dbraw/zinc/80/73/70/753807370.db2.gz CXFQCAALEJNWIX-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032650 753807374 /nfs/dbraw/zinc/80/73/74/753807374.db2.gz CXFQCAALEJNWIX-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079848575 755621058 /nfs/dbraw/zinc/62/10/58/755621058.db2.gz CASFXZYZTULQSW-DJIMGWMZSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079848575 755621060 /nfs/dbraw/zinc/62/10/60/755621060.db2.gz CASFXZYZTULQSW-DJIMGWMZSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079848575 755621062 /nfs/dbraw/zinc/62/10/62/755621062.db2.gz CASFXZYZTULQSW-DJIMGWMZSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079848575 755621065 /nfs/dbraw/zinc/62/10/65/755621065.db2.gz CASFXZYZTULQSW-DJIMGWMZSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001000967194 762422961 /nfs/dbraw/zinc/42/29/61/762422961.db2.gz GJQZBBJBHFHFMJ-UONOGXRCSA-N 2 1 315.845 1.040 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001000967194 762422963 /nfs/dbraw/zinc/42/29/63/762422963.db2.gz GJQZBBJBHFHFMJ-UONOGXRCSA-N 2 1 315.845 1.040 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014730898 755911388 /nfs/dbraw/zinc/91/13/88/755911388.db2.gz XVXMAKKOJKXRNT-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014730898 755911390 /nfs/dbraw/zinc/91/13/90/755911390.db2.gz XVXMAKKOJKXRNT-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014730898 755911392 /nfs/dbraw/zinc/91/13/92/755911392.db2.gz XVXMAKKOJKXRNT-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014730898 755911394 /nfs/dbraw/zinc/91/13/94/755911394.db2.gz XVXMAKKOJKXRNT-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241638 762453491 /nfs/dbraw/zinc/45/34/91/762453491.db2.gz QJSLACYXMBQRCE-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095927552 756494012 /nfs/dbraw/zinc/49/40/12/756494012.db2.gz CQZODCBKWWMYRS-JHNDHUHGSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095927552 756494014 /nfs/dbraw/zinc/49/40/14/756494014.db2.gz CQZODCBKWWMYRS-JHNDHUHGSA-N 2 1 314.433 1.661 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082018584 756597910 /nfs/dbraw/zinc/59/79/10/756597910.db2.gz JOXNPRXMIWMZRN-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082018584 756597914 /nfs/dbraw/zinc/59/79/14/756597914.db2.gz JOXNPRXMIWMZRN-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135201 756648869 /nfs/dbraw/zinc/64/88/69/756648869.db2.gz SUEZMOKTSKHQCN-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135201 756648873 /nfs/dbraw/zinc/64/88/73/756648873.db2.gz SUEZMOKTSKHQCN-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001082135201 756648879 /nfs/dbraw/zinc/64/88/79/756648879.db2.gz SUEZMOKTSKHQCN-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001082384788 756763987 /nfs/dbraw/zinc/76/39/87/756763987.db2.gz LYEYQTCPYFUCDP-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384788 756763991 /nfs/dbraw/zinc/76/39/91/756763991.db2.gz LYEYQTCPYFUCDP-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384788 756763994 /nfs/dbraw/zinc/76/39/94/756763994.db2.gz LYEYQTCPYFUCDP-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097219697 756988686 /nfs/dbraw/zinc/98/86/86/756988686.db2.gz AZPDRJAPVLOSRF-TVFCKZIOSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097219697 756988692 /nfs/dbraw/zinc/98/86/92/756988692.db2.gz AZPDRJAPVLOSRF-TVFCKZIOSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097219697 756988697 /nfs/dbraw/zinc/98/86/97/756988697.db2.gz AZPDRJAPVLOSRF-TVFCKZIOSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040369375 762510091 /nfs/dbraw/zinc/51/00/91/762510091.db2.gz OXTGXSMQHYJUOJ-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097405409 757170748 /nfs/dbraw/zinc/17/07/48/757170748.db2.gz NPQFGGSQLKGEMR-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405409 757170752 /nfs/dbraw/zinc/17/07/52/757170752.db2.gz NPQFGGSQLKGEMR-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405409 757170755 /nfs/dbraw/zinc/17/07/55/757170755.db2.gz NPQFGGSQLKGEMR-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097405409 757170759 /nfs/dbraw/zinc/17/07/59/757170759.db2.gz NPQFGGSQLKGEMR-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097405409 757170764 /nfs/dbraw/zinc/17/07/64/757170764.db2.gz NPQFGGSQLKGEMR-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC#CC)CC2 ZINC001016670728 757252971 /nfs/dbraw/zinc/25/29/71/757252971.db2.gz RPRQRQAFMGTMFL-IRXDYDNUSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC#CC)CC2 ZINC001016670728 757252976 /nfs/dbraw/zinc/25/29/76/757252976.db2.gz RPRQRQAFMGTMFL-IRXDYDNUSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001089424 762541907 /nfs/dbraw/zinc/54/19/07/762541907.db2.gz NCJMZFFUDQIBES-INIZCTEOSA-N 2 1 312.417 1.135 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001089424 762541912 /nfs/dbraw/zinc/54/19/12/762541912.db2.gz NCJMZFFUDQIBES-INIZCTEOSA-N 2 1 312.417 1.135 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(=C)C)C[C@H]21 ZINC001084417692 757540903 /nfs/dbraw/zinc/54/09/03/757540903.db2.gz AKZMPMAPLJRLBC-FGTMMUONSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(=C)C)C[C@H]21 ZINC001084417692 757540905 /nfs/dbraw/zinc/54/09/05/757540905.db2.gz AKZMPMAPLJRLBC-FGTMMUONSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(=C)C)C[C@H]21 ZINC001084417692 757540911 /nfs/dbraw/zinc/54/09/11/757540911.db2.gz AKZMPMAPLJRLBC-FGTMMUONSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(=C)C)C[C@H]21 ZINC001084417692 757540914 /nfs/dbraw/zinc/54/09/14/757540914.db2.gz AKZMPMAPLJRLBC-FGTMMUONSA-N 2 1 315.461 1.583 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084775617 757899508 /nfs/dbraw/zinc/89/95/08/757899508.db2.gz OEBIKJZFOCUOEM-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084775617 757899517 /nfs/dbraw/zinc/89/95/17/757899517.db2.gz OEBIKJZFOCUOEM-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084775617 757899526 /nfs/dbraw/zinc/89/95/26/757899526.db2.gz OEBIKJZFOCUOEM-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001084778447 757905829 /nfs/dbraw/zinc/90/58/29/757905829.db2.gz XFCVUNZJARXXJI-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001084852482 757983239 /nfs/dbraw/zinc/98/32/39/757983239.db2.gz BDSKEOFTWVZQTQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852482 757983244 /nfs/dbraw/zinc/98/32/44/757983244.db2.gz BDSKEOFTWVZQTQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852482 757983248 /nfs/dbraw/zinc/98/32/48/757983248.db2.gz BDSKEOFTWVZQTQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852482 757983253 /nfs/dbraw/zinc/98/32/53/757983253.db2.gz BDSKEOFTWVZQTQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032494 758168792 /nfs/dbraw/zinc/16/87/92/758168792.db2.gz JWQYHXFOVPZOFD-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032494 758168794 /nfs/dbraw/zinc/16/87/94/758168794.db2.gz JWQYHXFOVPZOFD-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032494 758168802 /nfs/dbraw/zinc/16/88/02/758168802.db2.gz JWQYHXFOVPZOFD-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053757670 758774582 /nfs/dbraw/zinc/77/45/82/758774582.db2.gz BEZNIXDSBBZZND-CABCVRRESA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053757670 758774590 /nfs/dbraw/zinc/77/45/90/758774590.db2.gz BEZNIXDSBBZZND-CABCVRRESA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169809870 762683407 /nfs/dbraw/zinc/68/34/07/762683407.db2.gz LRNDZNOCUWHFIU-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085225280 759169485 /nfs/dbraw/zinc/16/94/85/759169485.db2.gz PKSYKYJNRYNSRV-RBSFLKMASA-N 2 1 300.406 1.411 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187642 759271652 /nfs/dbraw/zinc/27/16/52/759271652.db2.gz WNPHOIRXQIXZQI-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760499 767899179 /nfs/dbraw/zinc/89/91/79/767899179.db2.gz IMSGYQYHSCYIIG-SFHVURJKSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001054831620 760118086 /nfs/dbraw/zinc/11/80/86/760118086.db2.gz ZBVAUBPRFUYQET-DOMZBBRYSA-N 2 1 306.410 1.362 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000028163 761462883 /nfs/dbraw/zinc/46/28/83/761462883.db2.gz SDNMRFBNGRILMJ-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001039116162 761753619 /nfs/dbraw/zinc/75/36/19/761753619.db2.gz MKTZUOGAIMLXOO-SJORKVTESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001039116162 761753627 /nfs/dbraw/zinc/75/36/27/761753627.db2.gz MKTZUOGAIMLXOO-SJORKVTESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039116162 761753631 /nfs/dbraw/zinc/75/36/31/761753631.db2.gz MKTZUOGAIMLXOO-SJORKVTESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039116162 761753638 /nfs/dbraw/zinc/75/36/38/761753638.db2.gz MKTZUOGAIMLXOO-SJORKVTESA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001040941051 762738921 /nfs/dbraw/zinc/73/89/21/762738921.db2.gz JIZYTDMTYLZJHV-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC3CC3)CC2)CC1 ZINC001001467737 762889731 /nfs/dbraw/zinc/88/97/31/762889731.db2.gz NHGGZANEDWLFOA-UHFFFAOYSA-N 2 1 315.461 1.490 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624939 763184090 /nfs/dbraw/zinc/18/40/90/763184090.db2.gz FYTHEJRGZSIIAA-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139805 763201761 /nfs/dbraw/zinc/20/17/61/763201761.db2.gz INHSTXNSAINXLV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139805 763201767 /nfs/dbraw/zinc/20/17/67/763201767.db2.gz INHSTXNSAINXLV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139805 763201775 /nfs/dbraw/zinc/20/17/75/763201775.db2.gz INHSTXNSAINXLV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041679803 763218979 /nfs/dbraw/zinc/21/89/79/763218979.db2.gz ODEWHLDEEGEIGG-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679803 763218986 /nfs/dbraw/zinc/21/89/86/763218986.db2.gz ODEWHLDEEGEIGG-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679803 763218994 /nfs/dbraw/zinc/21/89/94/763218994.db2.gz ODEWHLDEEGEIGG-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845711 763401289 /nfs/dbraw/zinc/40/12/89/763401289.db2.gz OGXPRNKFRGJNNK-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845711 763401297 /nfs/dbraw/zinc/40/12/97/763401297.db2.gz OGXPRNKFRGJNNK-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845711 763401306 /nfs/dbraw/zinc/40/13/06/763401306.db2.gz OGXPRNKFRGJNNK-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046941144 768136927 /nfs/dbraw/zinc/13/69/27/768136927.db2.gz IFJCHWIWKBOGMS-HZSPNIEDSA-N 2 1 315.408 1.586 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001109406014 763666746 /nfs/dbraw/zinc/66/67/46/763666746.db2.gz KZUVEZLREZUHNP-LTIDMASMSA-N 2 1 321.465 1.251 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567761 764411553 /nfs/dbraw/zinc/41/15/53/764411553.db2.gz HBBJIOUPJUYAQO-WMZOPIPTSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131698009 768279342 /nfs/dbraw/zinc/27/93/42/768279342.db2.gz UNCATNJVGKJXGF-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@@H](C)O2 ZINC001131698009 768279346 /nfs/dbraw/zinc/27/93/46/768279346.db2.gz UNCATNJVGKJXGF-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@@H](C)O2 ZINC001131698009 768279350 /nfs/dbraw/zinc/27/93/50/768279350.db2.gz UNCATNJVGKJXGF-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131694429 768276934 /nfs/dbraw/zinc/27/69/34/768276934.db2.gz XHZDHNORSKZXKN-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425934 765816103 /nfs/dbraw/zinc/81/61/03/765816103.db2.gz HQIRBZGSXYYJPN-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425934 765816112 /nfs/dbraw/zinc/81/61/12/765816112.db2.gz HQIRBZGSXYYJPN-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425934 765816121 /nfs/dbraw/zinc/81/61/21/765816121.db2.gz HQIRBZGSXYYJPN-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052566818 765963845 /nfs/dbraw/zinc/96/38/45/765963845.db2.gz PTZRMCDILWEFBX-HNNXBMFYSA-N 2 1 314.433 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052566818 765963852 /nfs/dbraw/zinc/96/38/52/765963852.db2.gz PTZRMCDILWEFBX-HNNXBMFYSA-N 2 1 314.433 1.366 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591081 765978063 /nfs/dbraw/zinc/97/80/63/765978063.db2.gz MQCFFJFBLNAVDV-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653646 766040381 /nfs/dbraw/zinc/04/03/81/766040381.db2.gz OKSUBZFJIVJRHZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653646 766040387 /nfs/dbraw/zinc/04/03/87/766040387.db2.gz OKSUBZFJIVJRHZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653646 766040394 /nfs/dbraw/zinc/04/03/94/766040394.db2.gz OKSUBZFJIVJRHZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653646 766040398 /nfs/dbraw/zinc/04/03/98/766040398.db2.gz OKSUBZFJIVJRHZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022500 766268572 /nfs/dbraw/zinc/26/85/72/766268572.db2.gz VCPCINOBIAYPDC-PMPSAXMXSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022500 766268573 /nfs/dbraw/zinc/26/85/73/766268573.db2.gz VCPCINOBIAYPDC-PMPSAXMXSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001096022500 766268576 /nfs/dbraw/zinc/26/85/76/766268576.db2.gz VCPCINOBIAYPDC-PMPSAXMXSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001096022500 766268577 /nfs/dbraw/zinc/26/85/77/766268577.db2.gz VCPCINOBIAYPDC-PMPSAXMXSA-N 2 1 303.450 1.463 20 30 DDEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001129856807 767019852 /nfs/dbraw/zinc/01/98/52/767019852.db2.gz XZEQCTWVVWSMMF-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046371111 767480553 /nfs/dbraw/zinc/48/05/53/767480553.db2.gz GKGIFQQXSCZQQS-YOEHRIQHSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046371111 767480556 /nfs/dbraw/zinc/48/05/56/767480556.db2.gz GKGIFQQXSCZQQS-YOEHRIQHSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001130622579 767644105 /nfs/dbraw/zinc/64/41/05/767644105.db2.gz PWPDRJIWJZRTSA-UHFFFAOYSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)CC[C@@H]1C ZINC001132194888 768664717 /nfs/dbraw/zinc/66/47/17/768664717.db2.gz GJZJQIWLSXRGMD-GJZGRUSLSA-N 2 1 302.422 1.345 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001048512138 769473937 /nfs/dbraw/zinc/47/39/37/769473937.db2.gz NIKMQYVJOBQGBR-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048512138 769473939 /nfs/dbraw/zinc/47/39/39/769473939.db2.gz NIKMQYVJOBQGBR-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048512138 769473941 /nfs/dbraw/zinc/47/39/41/769473941.db2.gz NIKMQYVJOBQGBR-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133122526 769514107 /nfs/dbraw/zinc/51/41/07/769514107.db2.gz SCOLMIQIBPHGEC-IRXDYDNUSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071508052 769530059 /nfs/dbraw/zinc/53/00/59/769530059.db2.gz HIIAXMBFIAGMSD-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071508052 769530068 /nfs/dbraw/zinc/53/00/68/769530068.db2.gz HIIAXMBFIAGMSD-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1C ZINC001071515004 769543718 /nfs/dbraw/zinc/54/37/18/769543718.db2.gz QZJXUDCFUWXUHH-GJZGRUSLSA-N 2 1 319.453 1.213 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048828144 769953134 /nfs/dbraw/zinc/95/31/34/769953134.db2.gz QKWQLBWUCSNNIT-OAGGEKHMSA-N 2 1 316.449 1.973 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048828144 769953140 /nfs/dbraw/zinc/95/31/40/769953140.db2.gz QKWQLBWUCSNNIT-OAGGEKHMSA-N 2 1 316.449 1.973 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071931207 770305171 /nfs/dbraw/zinc/30/51/71/770305171.db2.gz QMJMFFPPXQCISW-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059974 770313231 /nfs/dbraw/zinc/31/32/31/770313231.db2.gz KQIWPQDGINGKMW-WCXIOVBPSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059974 770313242 /nfs/dbraw/zinc/31/32/42/770313242.db2.gz KQIWPQDGINGKMW-WCXIOVBPSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059974 770313248 /nfs/dbraw/zinc/31/32/48/770313248.db2.gz KQIWPQDGINGKMW-WCXIOVBPSA-N 2 1 305.466 1.541 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071958302 770349638 /nfs/dbraw/zinc/34/96/38/770349638.db2.gz WVCCNFBHGNDQAR-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049448261 770849185 /nfs/dbraw/zinc/84/91/85/770849185.db2.gz RMHWADUZRCBJCL-LSDHHAIUSA-N 2 1 302.422 1.984 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478779 770907600 /nfs/dbraw/zinc/90/76/00/770907600.db2.gz RVJLDBOXWCDVKD-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480998 770910898 /nfs/dbraw/zinc/91/08/98/770910898.db2.gz HGTHISXNGHUSKB-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480998 770910906 /nfs/dbraw/zinc/91/09/06/770910906.db2.gz HGTHISXNGHUSKB-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480998 770910914 /nfs/dbraw/zinc/91/09/14/770910914.db2.gz HGTHISXNGHUSKB-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482502 770912412 /nfs/dbraw/zinc/91/24/12/770912412.db2.gz OAFHVNJPDNAVCT-MHORFTMASA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482502 770912417 /nfs/dbraw/zinc/91/24/17/770912417.db2.gz OAFHVNJPDNAVCT-MHORFTMASA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482502 770912424 /nfs/dbraw/zinc/91/24/24/770912424.db2.gz OAFHVNJPDNAVCT-MHORFTMASA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716849 771109574 /nfs/dbraw/zinc/10/95/74/771109574.db2.gz GSHXKGHZXZFMQJ-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716849 771109576 /nfs/dbraw/zinc/10/95/76/771109576.db2.gz GSHXKGHZXZFMQJ-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716849 771109579 /nfs/dbraw/zinc/10/95/79/771109579.db2.gz GSHXKGHZXZFMQJ-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828428 771191572 /nfs/dbraw/zinc/19/15/72/771191572.db2.gz OFOHKIAFABVUCH-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085389 771616825 /nfs/dbraw/zinc/61/68/25/771616825.db2.gz FMVNKSVNJUQWQV-VQHPVUNQSA-N 2 1 303.450 1.626 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135624801 771618488 /nfs/dbraw/zinc/61/84/88/771618488.db2.gz CBFIZLPMVSPMCV-CABCVRRESA-N 2 1 304.438 1.903 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090615810 772043653 /nfs/dbraw/zinc/04/36/53/772043653.db2.gz KHKPOYWAJIDPND-GJZGRUSLSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090615810 772043658 /nfs/dbraw/zinc/04/36/58/772043658.db2.gz KHKPOYWAJIDPND-GJZGRUSLSA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090674356 772094969 /nfs/dbraw/zinc/09/49/69/772094969.db2.gz STFMJECICKYBND-IAGOWNOFSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc[nH+]c(CC#N)c1 ZINC001171072783 772230483 /nfs/dbraw/zinc/23/04/83/772230483.db2.gz VMYILRMMGLHZQO-HNNXBMFYSA-N 2 1 302.378 1.208 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938120 773729253 /nfs/dbraw/zinc/72/92/53/773729253.db2.gz ITIZVTUOBQRTNN-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091882949 773834217 /nfs/dbraw/zinc/83/42/17/773834217.db2.gz QDYSDAIDRVJBPT-LMMKCTJWSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131571 773942955 /nfs/dbraw/zinc/94/29/55/773942955.db2.gz YCNKIEXGFXHSAX-MJGOQNOKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762882 774516169 /nfs/dbraw/zinc/51/61/69/774516169.db2.gz QXRXWGNYOSLYBE-WMZOPIPTSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001098464376 774588530 /nfs/dbraw/zinc/58/85/30/774588530.db2.gz ZZYSGEIRWPCTDM-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098464376 774588533 /nfs/dbraw/zinc/58/85/33/774588533.db2.gz ZZYSGEIRWPCTDM-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098464376 774588536 /nfs/dbraw/zinc/58/85/36/774588536.db2.gz ZZYSGEIRWPCTDM-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001099119183 774848360 /nfs/dbraw/zinc/84/83/60/774848360.db2.gz JTQLMIKHODKJNV-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099119183 774848368 /nfs/dbraw/zinc/84/83/68/774848368.db2.gz JTQLMIKHODKJNV-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099119183 774848378 /nfs/dbraw/zinc/84/83/78/774848378.db2.gz JTQLMIKHODKJNV-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099160916 774873374 /nfs/dbraw/zinc/87/33/74/774873374.db2.gz WNCMXYKJDBFGBI-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099160916 774873383 /nfs/dbraw/zinc/87/33/83/774873383.db2.gz WNCMXYKJDBFGBI-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099160916 774873392 /nfs/dbraw/zinc/87/33/92/774873392.db2.gz WNCMXYKJDBFGBI-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001099306477 774940646 /nfs/dbraw/zinc/94/06/46/774940646.db2.gz GSXVHHJBCSMUHU-YNEHKIRRSA-N 2 1 317.355 1.083 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001099306477 774940651 /nfs/dbraw/zinc/94/06/51/774940651.db2.gz GSXVHHJBCSMUHU-YNEHKIRRSA-N 2 1 317.355 1.083 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036871686 775010984 /nfs/dbraw/zinc/01/09/84/775010984.db2.gz ORFMDGLPMLUGBM-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529562 775019164 /nfs/dbraw/zinc/01/91/64/775019164.db2.gz SGCLMKFCLXRWAC-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094577297 776052623 /nfs/dbraw/zinc/05/26/23/776052623.db2.gz FYZZEDOVGNBMAH-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577297 776052629 /nfs/dbraw/zinc/05/26/29/776052629.db2.gz FYZZEDOVGNBMAH-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094577297 776052632 /nfs/dbraw/zinc/05/26/32/776052632.db2.gz FYZZEDOVGNBMAH-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729837 776479041 /nfs/dbraw/zinc/47/90/41/776479041.db2.gz RTNSKRXVGQPNDR-OFLPRAFFSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171872946 776485175 /nfs/dbraw/zinc/48/51/75/776485175.db2.gz KWYDUAPZRFNGHS-VUGNNNGISA-N 2 1 321.465 1.300 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101035001 776843143 /nfs/dbraw/zinc/84/31/43/776843143.db2.gz UESNTVXNNWMNLM-VMWRSERWSA-N 2 1 313.445 1.797 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001101573843 777265090 /nfs/dbraw/zinc/26/50/90/777265090.db2.gz GINKCODSBYIIQJ-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001176072294 778013861 /nfs/dbraw/zinc/01/38/61/778013861.db2.gz OCVDDDXJPUZTKG-MRXNPFEDSA-N 2 1 317.408 1.225 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366977 778097355 /nfs/dbraw/zinc/09/73/55/778097355.db2.gz XASRPEOYDLCRJS-VHDGCEQUSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366977 778097363 /nfs/dbraw/zinc/09/73/63/778097363.db2.gz XASRPEOYDLCRJS-VHDGCEQUSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102366977 778097374 /nfs/dbraw/zinc/09/73/74/778097374.db2.gz XASRPEOYDLCRJS-VHDGCEQUSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)Cn2ccnc2C(C)C)[C@H](C)C1 ZINC001102419679 778126987 /nfs/dbraw/zinc/12/69/87/778126987.db2.gz QBBPQRIDPAODPW-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419679 778126992 /nfs/dbraw/zinc/12/69/92/778126992.db2.gz QBBPQRIDPAODPW-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419679 778126998 /nfs/dbraw/zinc/12/69/98/778126998.db2.gz QBBPQRIDPAODPW-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819419 778426041 /nfs/dbraw/zinc/42/60/41/778426041.db2.gz SWDVMKSEIWMCNP-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819419 778426045 /nfs/dbraw/zinc/42/60/45/778426045.db2.gz SWDVMKSEIWMCNP-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819419 778426048 /nfs/dbraw/zinc/42/60/48/778426048.db2.gz SWDVMKSEIWMCNP-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819419 778426052 /nfs/dbraw/zinc/42/60/52/778426052.db2.gz SWDVMKSEIWMCNP-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177119904 778433550 /nfs/dbraw/zinc/43/35/50/778433550.db2.gz QNFUKYHJQJUVGV-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177119904 778433552 /nfs/dbraw/zinc/43/35/52/778433552.db2.gz QNFUKYHJQJUVGV-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001177416276 778589247 /nfs/dbraw/zinc/58/92/47/778589247.db2.gz YRCMTEOXXVPOFJ-QGZVFWFLSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396909 778841785 /nfs/dbraw/zinc/84/17/85/778841785.db2.gz PNSNRBLZQOPVOX-NVXWUHKLSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536837 778930956 /nfs/dbraw/zinc/93/09/56/778930956.db2.gz FQDWAYGHZNPDFG-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536837 778930962 /nfs/dbraw/zinc/93/09/62/778930962.db2.gz FQDWAYGHZNPDFG-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810594 779181230 /nfs/dbraw/zinc/18/12/30/779181230.db2.gz HTBYDGJFOWIWMU-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810594 779181233 /nfs/dbraw/zinc/18/12/33/779181233.db2.gz HTBYDGJFOWIWMU-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891361 779212148 /nfs/dbraw/zinc/21/21/48/779212148.db2.gz PRJMIBYYFCROOA-KKUMJFAQSA-N 2 1 300.406 1.363 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554077 779416888 /nfs/dbraw/zinc/41/68/88/779416888.db2.gz OIUHCWSXVXCCAV-WMZOPIPTSA-N 2 1 315.461 1.926 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778769 779477154 /nfs/dbraw/zinc/47/71/54/779477154.db2.gz KWGHIZDVUUGQKN-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778769 779477156 /nfs/dbraw/zinc/47/71/56/779477156.db2.gz KWGHIZDVUUGQKN-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778769 779477163 /nfs/dbraw/zinc/47/71/63/779477163.db2.gz KWGHIZDVUUGQKN-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180264224 779684921 /nfs/dbraw/zinc/68/49/21/779684921.db2.gz CRTOHQJYKZXKBI-MRXNPFEDSA-N 2 1 311.470 1.407 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115543705 780226708 /nfs/dbraw/zinc/22/67/08/780226708.db2.gz WUFZCQGPLZCBSU-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730942 780380663 /nfs/dbraw/zinc/38/06/63/780380663.db2.gz VMAIXFKZUFREEL-HOTGVXAUSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001267195923 837516232 /nfs/dbraw/zinc/51/62/32/837516232.db2.gz SYGYDHSSLOXBAJ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001267195923 837516240 /nfs/dbraw/zinc/51/62/40/837516240.db2.gz SYGYDHSSLOXBAJ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267195923 837516246 /nfs/dbraw/zinc/51/62/46/837516246.db2.gz SYGYDHSSLOXBAJ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266327842 836125723 /nfs/dbraw/zinc/12/57/23/836125723.db2.gz MZQHFRWDEPTYBI-HNNXBMFYSA-N 2 1 307.438 1.008 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001266469391 836310285 /nfs/dbraw/zinc/31/02/85/836310285.db2.gz KQRXAACCHDIJIN-OAHLLOKOSA-N 2 1 320.437 1.325 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001266559750 836468004 /nfs/dbraw/zinc/46/80/04/836468004.db2.gz KVVRGNZRPVAKJY-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266879067 836988185 /nfs/dbraw/zinc/98/81/85/836988185.db2.gz OCSNAYQQPUZTNJ-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267088638 837319434 /nfs/dbraw/zinc/31/94/34/837319434.db2.gz NDYMDHBUEQXMCR-JKSUJKDBSA-N 2 1 302.422 1.622 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267520526 838240299 /nfs/dbraw/zinc/24/02/99/838240299.db2.gz NZDJNZBPPDTCKQ-MSOLQXFVSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267520526 838240310 /nfs/dbraw/zinc/24/03/10/838240310.db2.gz NZDJNZBPPDTCKQ-MSOLQXFVSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001267941537 839230634 /nfs/dbraw/zinc/23/06/34/839230634.db2.gz ZPAMENGLRTZXGL-IYBDPMFKSA-N 2 1 313.445 1.898 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267999131 839350430 /nfs/dbraw/zinc/35/04/30/839350430.db2.gz SJVWHECVANJIAV-UKRRQHHQSA-N 2 1 304.438 1.672 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001268027147 839432351 /nfs/dbraw/zinc/43/23/51/839432351.db2.gz ZPOFLAPFIJUADI-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268027147 839432355 /nfs/dbraw/zinc/43/23/55/839432355.db2.gz ZPOFLAPFIJUADI-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268027147 839432361 /nfs/dbraw/zinc/43/23/61/839432361.db2.gz ZPOFLAPFIJUADI-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001268044701 839580425 /nfs/dbraw/zinc/58/04/25/839580425.db2.gz YMZAGHKMEFJEHR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001268149450 839757644 /nfs/dbraw/zinc/75/76/44/839757644.db2.gz BEUNZCGZFWRZNV-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001272084868 844573028 /nfs/dbraw/zinc/57/30/28/844573028.db2.gz CMTNIIWXCZGSOD-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268824566 840871566 /nfs/dbraw/zinc/87/15/66/840871566.db2.gz INTREADHCHWBNN-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001268988386 841087962 /nfs/dbraw/zinc/08/79/62/841087962.db2.gz QAGDKOSDUKACDD-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001268988386 841087973 /nfs/dbraw/zinc/08/79/73/841087973.db2.gz QAGDKOSDUKACDD-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001269079707 841183975 /nfs/dbraw/zinc/18/39/75/841183975.db2.gz QVLKEFDOJMIEJE-IRXDYDNUSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001269079707 841183981 /nfs/dbraw/zinc/18/39/81/841183981.db2.gz QVLKEFDOJMIEJE-IRXDYDNUSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCOCC ZINC001328733158 863181433 /nfs/dbraw/zinc/18/14/33/863181433.db2.gz MAQBBTCZQHRHEJ-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCOCC ZINC001328733158 863181440 /nfs/dbraw/zinc/18/14/40/863181440.db2.gz MAQBBTCZQHRHEJ-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCOCC ZINC001328733158 863181446 /nfs/dbraw/zinc/18/14/46/863181446.db2.gz MAQBBTCZQHRHEJ-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCOCC ZINC001328733158 863181452 /nfs/dbraw/zinc/18/14/52/863181452.db2.gz MAQBBTCZQHRHEJ-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC(=C)C)CC1 ZINC001270321702 842486593 /nfs/dbraw/zinc/48/65/93/842486593.db2.gz ZTXUHNZJORZOPD-UHFFFAOYSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001326604547 861474331 /nfs/dbraw/zinc/47/43/31/861474331.db2.gz WBPFWYIJWAGRFG-UHFFFAOYSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000997006536 847114333 /nfs/dbraw/zinc/11/43/33/847114333.db2.gz GZYVHAAOSRYTNK-UHFFFAOYSA-N 2 1 318.421 1.651 20 30 DDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997094854 847342265 /nfs/dbraw/zinc/34/22/65/847342265.db2.gz ZVAQVDXMLLTAAE-BPQIPLTHSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249954 848157180 /nfs/dbraw/zinc/15/71/80/848157180.db2.gz NNDVYWYDLALEJT-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249954 848157184 /nfs/dbraw/zinc/15/71/84/848157184.db2.gz NNDVYWYDLALEJT-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238738 848166152 /nfs/dbraw/zinc/16/61/52/848166152.db2.gz MILAEJUYIMITMK-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238738 848166159 /nfs/dbraw/zinc/16/61/59/848166159.db2.gz MILAEJUYIMITMK-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238738 848166162 /nfs/dbraw/zinc/16/61/62/848166162.db2.gz MILAEJUYIMITMK-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034434477 848522845 /nfs/dbraw/zinc/52/28/45/848522845.db2.gz BACQVJSVKWGLPW-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)CN1CC2(C[NH+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273143062 848547972 /nfs/dbraw/zinc/54/79/72/848547972.db2.gz ALKIFRYQMNCKKA-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001273316486 849419935 /nfs/dbraw/zinc/41/99/35/849419935.db2.gz SURSUNQYZQMPBY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021043 862032045 /nfs/dbraw/zinc/03/20/45/862032045.db2.gz FWIPKOPIHCPWND-IAGOWNOFSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150334392 862185227 /nfs/dbraw/zinc/18/52/27/862185227.db2.gz VZBYJBZMAJVTKX-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150334392 862185235 /nfs/dbraw/zinc/18/52/35/862185235.db2.gz VZBYJBZMAJVTKX-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150334392 862185243 /nfs/dbraw/zinc/18/52/43/862185243.db2.gz VZBYJBZMAJVTKX-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001273576352 851106927 /nfs/dbraw/zinc/10/69/27/851106927.db2.gz QQQTVIDKJBHLEM-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)O2 ZINC001273669141 851204559 /nfs/dbraw/zinc/20/45/59/851204559.db2.gz NRMNIVKTFHZALK-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CNC(=O)[C@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001273828106 851388491 /nfs/dbraw/zinc/38/84/91/851388491.db2.gz YRTYMIBRYMWKSK-MRXNPFEDSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150588964 862335750 /nfs/dbraw/zinc/33/57/50/862335750.db2.gz RKSRRJJOAFJKCK-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588964 862335771 /nfs/dbraw/zinc/33/57/71/862335771.db2.gz RKSRRJJOAFJKCK-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588964 862335787 /nfs/dbraw/zinc/33/57/87/862335787.db2.gz RKSRRJJOAFJKCK-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2CCCc1cccc(C#N)c1 ZINC001274890910 852667528 /nfs/dbraw/zinc/66/75/28/852667528.db2.gz OOLZBSJNKZDILV-KDURUIRLSA-N 2 1 312.461 1.811 20 30 DDEDMP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001274945456 852704833 /nfs/dbraw/zinc/70/48/33/852704833.db2.gz LWTCDDIKUYYDDH-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001274945456 852704837 /nfs/dbraw/zinc/70/48/37/852704837.db2.gz LWTCDDIKUYYDDH-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001274945456 852704841 /nfs/dbraw/zinc/70/48/41/852704841.db2.gz LWTCDDIKUYYDDH-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001274945456 852704845 /nfs/dbraw/zinc/70/48/45/852704845.db2.gz LWTCDDIKUYYDDH-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)COC ZINC001275685726 853569355 /nfs/dbraw/zinc/56/93/55/853569355.db2.gz UNFZWFYXPGFXRR-CVEARBPZSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@H](C)COC ZINC001275685726 853569363 /nfs/dbraw/zinc/56/93/63/853569363.db2.gz UNFZWFYXPGFXRR-CVEARBPZSA-N 2 1 323.481 1.193 20 30 DDEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276009954 854150955 /nfs/dbraw/zinc/15/09/55/854150955.db2.gz CIXRKTJFLBVCNE-RDJZCZTQSA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276009954 854150957 /nfs/dbraw/zinc/15/09/57/854150957.db2.gz CIXRKTJFLBVCNE-RDJZCZTQSA-N 2 1 301.434 1.749 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115461807 855197082 /nfs/dbraw/zinc/19/70/82/855197082.db2.gz DHQQSZORASFDQO-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115461807 855197087 /nfs/dbraw/zinc/19/70/87/855197087.db2.gz DHQQSZORASFDQO-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001276318570 855649639 /nfs/dbraw/zinc/64/96/39/855649639.db2.gz CUBRMMSIQKGOPD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001276318570 855649647 /nfs/dbraw/zinc/64/96/47/855649647.db2.gz CUBRMMSIQKGOPD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001276318570 855649653 /nfs/dbraw/zinc/64/96/53/855649653.db2.gz CUBRMMSIQKGOPD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001151415577 862764288 /nfs/dbraw/zinc/76/42/88/862764288.db2.gz ZWVVHDJJFYWDJP-UHFFFAOYSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732683 857650206 /nfs/dbraw/zinc/65/02/06/857650206.db2.gz UHHBMWOVHGXZPI-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732683 857650216 /nfs/dbraw/zinc/65/02/16/857650216.db2.gz UHHBMWOVHGXZPI-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732683 857650228 /nfs/dbraw/zinc/65/02/28/857650228.db2.gz UHHBMWOVHGXZPI-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732685 857650952 /nfs/dbraw/zinc/65/09/52/857650952.db2.gz UHHBMWOVHGXZPI-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732685 857650956 /nfs/dbraw/zinc/65/09/56/857650956.db2.gz UHHBMWOVHGXZPI-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732685 857650959 /nfs/dbraw/zinc/65/09/59/857650959.db2.gz UHHBMWOVHGXZPI-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001072752038 857669908 /nfs/dbraw/zinc/66/99/08/857669908.db2.gz QXUNUHMJEMZTQQ-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072752038 857669915 /nfs/dbraw/zinc/66/99/15/857669915.db2.gz QXUNUHMJEMZTQQ-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001072752038 857669920 /nfs/dbraw/zinc/66/99/20/857669920.db2.gz QXUNUHMJEMZTQQ-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125535 858121496 /nfs/dbraw/zinc/12/14/96/858121496.db2.gz ABLXQMUGOZZTPU-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073453958 858348901 /nfs/dbraw/zinc/34/89/01/858348901.db2.gz CUXMNSZKKHUMBC-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073453958 858348905 /nfs/dbraw/zinc/34/89/05/858348905.db2.gz CUXMNSZKKHUMBC-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073453958 858348910 /nfs/dbraw/zinc/34/89/10/858348910.db2.gz CUXMNSZKKHUMBC-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCCF)C3)CC1 ZINC001073456266 858352298 /nfs/dbraw/zinc/35/22/98/858352298.db2.gz ZAPYYIYJCVEWQM-UHFFFAOYSA-N 2 1 321.440 1.226 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073555254 858436282 /nfs/dbraw/zinc/43/62/82/858436282.db2.gz YXEBMCVXXQKRFH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555254 858436287 /nfs/dbraw/zinc/43/62/87/858436287.db2.gz YXEBMCVXXQKRFH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555254 858436290 /nfs/dbraw/zinc/43/62/90/858436290.db2.gz YXEBMCVXXQKRFH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203038175 860637345 /nfs/dbraw/zinc/63/73/45/860637345.db2.gz XHEQZNRAJJHRER-JKSUJKDBSA-N 2 1 303.450 1.511 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001325899796 860936270 /nfs/dbraw/zinc/93/62/70/860936270.db2.gz RGFLYMMQYPUBMX-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824326 864137342 /nfs/dbraw/zinc/13/73/42/864137342.db2.gz PXRUZRGISGSNCD-ZBFHGGJFSA-N 2 1 311.470 1.356 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990513 864289680 /nfs/dbraw/zinc/28/96/80/864289680.db2.gz IRPYKXQTWSYVFW-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112795 864417286 /nfs/dbraw/zinc/41/72/86/864417286.db2.gz RFIHFIJDANRVKS-CYBMUJFWSA-N 2 1 308.426 1.753 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112795 864417289 /nfs/dbraw/zinc/41/72/89/864417289.db2.gz RFIHFIJDANRVKS-CYBMUJFWSA-N 2 1 308.426 1.753 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001158900867 864963385 /nfs/dbraw/zinc/96/33/85/864963385.db2.gz MINSEGZOAIXRIU-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001158900867 864963396 /nfs/dbraw/zinc/96/33/96/864963396.db2.gz MINSEGZOAIXRIU-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158900867 864963401 /nfs/dbraw/zinc/96/34/01/864963401.db2.gz MINSEGZOAIXRIU-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158900867 864963410 /nfs/dbraw/zinc/96/34/10/864963410.db2.gz MINSEGZOAIXRIU-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332030140 865516163 /nfs/dbraw/zinc/51/61/63/865516163.db2.gz HCDYQFBDXUFHJO-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001332203049 865662644 /nfs/dbraw/zinc/66/26/44/865662644.db2.gz ZWABHNREHGIKIE-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160360165 865798789 /nfs/dbraw/zinc/79/87/89/865798789.db2.gz KREMOWNCMANFBW-MRXNPFEDSA-N 2 1 312.417 1.532 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001160360165 865798797 /nfs/dbraw/zinc/79/87/97/865798797.db2.gz KREMOWNCMANFBW-MRXNPFEDSA-N 2 1 312.417 1.532 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001161907921 867088963 /nfs/dbraw/zinc/08/89/63/867088963.db2.gz GHRKQLPQKXYOFM-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161907921 867088975 /nfs/dbraw/zinc/08/89/75/867088975.db2.gz GHRKQLPQKXYOFM-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161907921 867088984 /nfs/dbraw/zinc/08/89/84/867088984.db2.gz GHRKQLPQKXYOFM-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161907921 867088996 /nfs/dbraw/zinc/08/89/96/867088996.db2.gz GHRKQLPQKXYOFM-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162275528 867402776 /nfs/dbraw/zinc/40/27/76/867402776.db2.gz VWGCUXAQUWKHLG-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165455873 869610053 /nfs/dbraw/zinc/61/00/53/869610053.db2.gz LWJHMMDUCHPMLE-MRXNPFEDSA-N 2 1 305.466 1.474 20 30 DDEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001317028931 870137031 /nfs/dbraw/zinc/13/70/31/870137031.db2.gz NGRDBRXLRSHIHC-CRAIPNDOSA-N 2 1 323.456 1.707 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001317033079 870141978 /nfs/dbraw/zinc/14/19/78/870141978.db2.gz FDJUEKHPYUNCCK-JKSUJKDBSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001317033079 870141988 /nfs/dbraw/zinc/14/19/88/870141988.db2.gz FDJUEKHPYUNCCK-JKSUJKDBSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166750929 870223092 /nfs/dbraw/zinc/22/30/92/870223092.db2.gz MXVNFJBRWDZZGJ-UHFFFAOYSA-N 2 1 301.434 1.280 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001317100447 870246248 /nfs/dbraw/zinc/24/62/48/870246248.db2.gz QRSNONKYURVTEH-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317100447 870246263 /nfs/dbraw/zinc/24/62/63/870246263.db2.gz QRSNONKYURVTEH-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317100447 870246278 /nfs/dbraw/zinc/24/62/78/870246278.db2.gz QRSNONKYURVTEH-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317337304 870666978 /nfs/dbraw/zinc/66/69/78/870666978.db2.gz KZJOYJWRSMCMLH-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317508280 870948013 /nfs/dbraw/zinc/94/80/13/870948013.db2.gz HTAHUVFXNGJJFD-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317508280 870948026 /nfs/dbraw/zinc/94/80/26/870948026.db2.gz HTAHUVFXNGJJFD-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317508280 870948036 /nfs/dbraw/zinc/94/80/36/870948036.db2.gz HTAHUVFXNGJJFD-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001317685001 871405648 /nfs/dbraw/zinc/40/56/48/871405648.db2.gz VTLHIHJKFRGCLO-APWZRJJASA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334852 871500265 /nfs/dbraw/zinc/50/02/65/871500265.db2.gz RSVNQVPXHINDIW-NVXWUHKLSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001316747842 871990937 /nfs/dbraw/zinc/99/09/37/871990937.db2.gz YSJGPJPTTOHOED-KRWDZBQOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226722064 882609436 /nfs/dbraw/zinc/60/94/36/882609436.db2.gz FMZCTSKAHHWZAA-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722064 882609443 /nfs/dbraw/zinc/60/94/43/882609443.db2.gz FMZCTSKAHHWZAA-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548031 872432011 /nfs/dbraw/zinc/43/20/11/872432011.db2.gz NNLCULKPUZTPQJ-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208330839 874021466 /nfs/dbraw/zinc/02/14/66/874021466.db2.gz GTDSUQSATNUDPN-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331456 874021894 /nfs/dbraw/zinc/02/18/94/874021894.db2.gz SMDUVFCTUTUTFO-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208341333 874034874 /nfs/dbraw/zinc/03/48/74/874034874.db2.gz ZAGNXFDLUBAGKC-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001227090874 882824984 /nfs/dbraw/zinc/82/49/84/882824984.db2.gz HMGYQVAZOUPVJU-ZACQAIPSSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC001276593986 874487452 /nfs/dbraw/zinc/48/74/52/874487452.db2.gz SENYBHGCHUMNBY-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001276593986 874487468 /nfs/dbraw/zinc/48/74/68/874487468.db2.gz SENYBHGCHUMNBY-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593986 874487474 /nfs/dbraw/zinc/48/74/74/874487474.db2.gz SENYBHGCHUMNBY-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593986 874487481 /nfs/dbraw/zinc/48/74/81/874487481.db2.gz SENYBHGCHUMNBY-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC001350112200 875540098 /nfs/dbraw/zinc/54/00/98/875540098.db2.gz BFMWIKMHQHCAQM-YESZJQIVSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC001350112200 875540105 /nfs/dbraw/zinc/54/01/05/875540105.db2.gz BFMWIKMHQHCAQM-YESZJQIVSA-N 2 1 318.465 1.352 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211310151 875748831 /nfs/dbraw/zinc/74/88/31/875748831.db2.gz QXSVLTOLDYIPRU-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213243 875850323 /nfs/dbraw/zinc/85/03/23/875850323.db2.gz IUEVZIRFXDBTGA-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](OC)C1 ZINC001213213243 875850329 /nfs/dbraw/zinc/85/03/29/875850329.db2.gz IUEVZIRFXDBTGA-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974397 876119035 /nfs/dbraw/zinc/11/90/35/876119035.db2.gz YBIHRBYIOMMCOF-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974397 876119043 /nfs/dbraw/zinc/11/90/43/876119043.db2.gz YBIHRBYIOMMCOF-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544437 876747349 /nfs/dbraw/zinc/74/73/49/876747349.db2.gz UVPFMWLFWFNVKO-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP N#C[C@@H]1C[C@@H](Oc2ccc(C[NH+]3CCC([NH3+])CC3)cc2)CN1 ZINC001218340115 877456995 /nfs/dbraw/zinc/45/69/95/877456995.db2.gz UERQXZDYVTVGQN-DOTOQJQBSA-N 2 1 300.406 1.243 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091589 879491154 /nfs/dbraw/zinc/49/11/54/879491154.db2.gz RFOINZHEVTUFEY-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557450 879942852 /nfs/dbraw/zinc/94/28/52/879942852.db2.gz OCHLQNGNHQFINV-FGTMMUONSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC001357430288 879967930 /nfs/dbraw/zinc/96/79/30/879967930.db2.gz FOPCXXMJDOYJGW-JKSUJKDBSA-N 2 1 310.486 1.060 20 30 DDEDMP C=CCOc1cccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507318 880524130 /nfs/dbraw/zinc/52/41/30/880524130.db2.gz RMFHNDFLJCBTBA-ROUUACIJSA-N 2 1 301.434 1.777 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223985276 881175158 /nfs/dbraw/zinc/17/51/58/881175158.db2.gz XGWVPAIBGZYFRV-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001223985276 881175165 /nfs/dbraw/zinc/17/51/65/881175165.db2.gz XGWVPAIBGZYFRV-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167504 883374608 /nfs/dbraw/zinc/37/46/08/883374608.db2.gz LBIMKMNGTYFUDT-BRWVUGGUSA-N 2 1 321.465 1.136 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228167504 883374618 /nfs/dbraw/zinc/37/46/18/883374618.db2.gz LBIMKMNGTYFUDT-BRWVUGGUSA-N 2 1 321.465 1.136 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229074279 883800819 /nfs/dbraw/zinc/80/08/19/883800819.db2.gz WSAMTODKNADJKW-CQSZACIVSA-N 2 1 301.862 1.906 20 30 DDEDMP C#CCN(CCCNC(=O)CC[N@H+](C)CC)Cc1cccnc1 ZINC001230890324 885015797 /nfs/dbraw/zinc/01/57/97/885015797.db2.gz AHJUTWQQSXPAGT-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[NH+](CCCNC(=O)CC[N@@H+](C)CC)Cc1cccnc1 ZINC001230890324 885015810 /nfs/dbraw/zinc/01/58/10/885015810.db2.gz AHJUTWQQSXPAGT-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[NH+](CCCNC(=O)CC[N@H+](C)CC)Cc1cccnc1 ZINC001230890324 885015825 /nfs/dbraw/zinc/01/58/25/885015825.db2.gz AHJUTWQQSXPAGT-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230890324 885015838 /nfs/dbraw/zinc/01/58/38/885015838.db2.gz AHJUTWQQSXPAGT-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230890324 885015853 /nfs/dbraw/zinc/01/58/53/885015853.db2.gz AHJUTWQQSXPAGT-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001278450015 892650163 /nfs/dbraw/zinc/65/01/63/892650163.db2.gz LEIQZKGQHAVLJI-SFHVURJKSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001278450015 892650182 /nfs/dbraw/zinc/65/01/82/892650182.db2.gz LEIQZKGQHAVLJI-SFHVURJKSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001278450015 892650196 /nfs/dbraw/zinc/65/01/96/892650196.db2.gz LEIQZKGQHAVLJI-SFHVURJKSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001278450015 892650207 /nfs/dbraw/zinc/65/02/07/892650207.db2.gz LEIQZKGQHAVLJI-SFHVURJKSA-N 2 1 301.434 1.885 20 30 DDEDMP N#Cc1ccc(N2CCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC001246838229 892931029 /nfs/dbraw/zinc/93/10/29/892931029.db2.gz QXIIAXYYQODFSW-SJPCQFCGSA-N 2 1 311.433 1.748 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3C[C@H]4CC[C@]4([NH3+])C3)CC2)cc1 ZINC001246855047 892940048 /nfs/dbraw/zinc/94/00/48/892940048.db2.gz SEWXYYCQILJNNG-APWZRJJASA-N 2 1 324.428 1.586 20 30 DDEDMP C=CCCNC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001247603050 893246636 /nfs/dbraw/zinc/24/66/36/893246636.db2.gz ZTXPALLQQMLJTQ-UHFFFAOYSA-N 2 1 305.451 1.696 20 30 DDEDMP C=CCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001252614162 895315701 /nfs/dbraw/zinc/31/57/01/895315701.db2.gz GGJUQORSGNHYKJ-GOSISDBHSA-N 2 1 304.434 1.936 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001278782580 896429047 /nfs/dbraw/zinc/42/90/47/896429047.db2.gz ZCHMNCWIKTUNHH-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278782580 896429055 /nfs/dbraw/zinc/42/90/55/896429055.db2.gz ZCHMNCWIKTUNHH-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278782580 896429065 /nfs/dbraw/zinc/42/90/65/896429065.db2.gz ZCHMNCWIKTUNHH-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001391112460 900934193 /nfs/dbraw/zinc/93/41/93/900934193.db2.gz NUVXUCMYFWWUML-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001391112460 900934198 /nfs/dbraw/zinc/93/41/98/900934198.db2.gz NUVXUCMYFWWUML-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001391112460 900934204 /nfs/dbraw/zinc/93/42/04/900934204.db2.gz NUVXUCMYFWWUML-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001391112460 900934214 /nfs/dbraw/zinc/93/42/14/900934214.db2.gz NUVXUCMYFWWUML-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(C#N)c1 ZINC001265068788 901514929 /nfs/dbraw/zinc/51/49/29/901514929.db2.gz SPPFUEKXZMJDBP-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(C#N)c1 ZINC001265068788 901514939 /nfs/dbraw/zinc/51/49/39/901514939.db2.gz SPPFUEKXZMJDBP-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(C#N)c1 ZINC001265068788 901514946 /nfs/dbraw/zinc/51/49/46/901514946.db2.gz SPPFUEKXZMJDBP-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP COCC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001265675327 902289232 /nfs/dbraw/zinc/28/92/32/902289232.db2.gz GETLEUCFRLGOEN-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001265708699 902326631 /nfs/dbraw/zinc/32/66/31/902326631.db2.gz RZFYWUXKVBKZMV-SJORKVTESA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001265708699 902326640 /nfs/dbraw/zinc/32/66/40/902326640.db2.gz RZFYWUXKVBKZMV-SJORKVTESA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001265708699 902326650 /nfs/dbraw/zinc/32/66/50/902326650.db2.gz RZFYWUXKVBKZMV-SJORKVTESA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266071184 902882511 /nfs/dbraw/zinc/88/25/11/902882511.db2.gz JXIZAVDBSFCIOA-HZPDHXFCSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001280414628 903651412 /nfs/dbraw/zinc/65/14/12/903651412.db2.gz CHGXBDLKXLQQGN-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001280414628 903651422 /nfs/dbraw/zinc/65/14/22/903651422.db2.gz CHGXBDLKXLQQGN-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001280907201 904176489 /nfs/dbraw/zinc/17/64/89/904176489.db2.gz OCWAIPILYHGMRM-CVEARBPZSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001281969882 905379057 /nfs/dbraw/zinc/37/90/57/905379057.db2.gz XCVFBKTYAHAREP-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001283230838 906948657 /nfs/dbraw/zinc/94/86/57/906948657.db2.gz WFYZSVJPVDHWQH-GDBMZVCRSA-N 2 1 316.449 1.652 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC=C(C)C)CC1 ZINC001283310346 907104119 /nfs/dbraw/zinc/10/41/19/907104119.db2.gz KHEKGHXUKUKSIW-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC=C(C)C)CC1 ZINC001283310346 907104127 /nfs/dbraw/zinc/10/41/27/907104127.db2.gz KHEKGHXUKUKSIW-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC=C(C)C)CC1 ZINC001283310346 907104134 /nfs/dbraw/zinc/10/41/34/907104134.db2.gz KHEKGHXUKUKSIW-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC=C(C)C)CC1 ZINC001283310346 907104139 /nfs/dbraw/zinc/10/41/39/907104139.db2.gz KHEKGHXUKUKSIW-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001284100137 908474543 /nfs/dbraw/zinc/47/45/43/908474543.db2.gz DIHKMANJLGTZTO-IXDOHACOSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001284334396 908844330 /nfs/dbraw/zinc/84/43/30/908844330.db2.gz CTZYDNXQTUKPPZ-JKSUJKDBSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@@H]2C1 ZINC001375700790 916744187 /nfs/dbraw/zinc/74/41/87/916744187.db2.gz KHBPLRANAAEJOD-CABCVRRESA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001375700790 916744198 /nfs/dbraw/zinc/74/41/98/916744198.db2.gz KHBPLRANAAEJOD-CABCVRRESA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001375700790 916744206 /nfs/dbraw/zinc/74/42/06/916744206.db2.gz KHBPLRANAAEJOD-CABCVRRESA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001375700790 916744216 /nfs/dbraw/zinc/74/42/16/916744216.db2.gz KHBPLRANAAEJOD-CABCVRRESA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001376350259 918294021 /nfs/dbraw/zinc/29/40/21/918294021.db2.gz TYHOQPQOIJDXFJ-UONOGXRCSA-N 2 1 301.862 1.907 20 30 DDEDMP CCc1noc(CC)c1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000087001694 353745924 /nfs/dbraw/zinc/74/59/24/353745924.db2.gz AURQREJFKRKXLX-LBPRGKRZSA-N 2 1 307.442 1.688 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000596425194 356875483 /nfs/dbraw/zinc/87/54/83/356875483.db2.gz PNEUDCLOVULNMB-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000596425194 356875485 /nfs/dbraw/zinc/87/54/85/356875485.db2.gz PNEUDCLOVULNMB-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000599320215 357892239 /nfs/dbraw/zinc/89/22/39/357892239.db2.gz RDPLSAITMRAQFA-ZACQAIPSSA-N 2 1 321.465 1.474 20 30 DDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000599320215 357892242 /nfs/dbraw/zinc/89/22/42/357892242.db2.gz RDPLSAITMRAQFA-ZACQAIPSSA-N 2 1 321.465 1.474 20 30 DDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000599320215 357892244 /nfs/dbraw/zinc/89/22/44/357892244.db2.gz RDPLSAITMRAQFA-ZACQAIPSSA-N 2 1 321.465 1.474 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600722163 358295979 /nfs/dbraw/zinc/29/59/79/358295979.db2.gz YOWNORMMJWXHPJ-GOEBONIOSA-N 2 1 320.437 1.489 20 30 DDEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000602894642 359278053 /nfs/dbraw/zinc/27/80/53/359278053.db2.gz YMYGHPLSIYGXLK-SFHVURJKSA-N 2 1 317.433 1.716 20 30 DDEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000602894642 359278054 /nfs/dbraw/zinc/27/80/54/359278054.db2.gz YMYGHPLSIYGXLK-SFHVURJKSA-N 2 1 317.433 1.716 20 30 DDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C1 ZINC000612099263 360919039 /nfs/dbraw/zinc/91/90/39/360919039.db2.gz ZBROVRIFYIPORN-LJQANCHMSA-N 2 1 312.461 1.964 20 30 DDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C1 ZINC000612099263 360919041 /nfs/dbraw/zinc/91/90/41/360919041.db2.gz ZBROVRIFYIPORN-LJQANCHMSA-N 2 1 312.461 1.964 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004059 407163978 /nfs/dbraw/zinc/16/39/78/407163978.db2.gz KVOTYECVRPJEPX-HNNXBMFYSA-N 2 1 317.437 1.437 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004059 407163979 /nfs/dbraw/zinc/16/39/79/407163979.db2.gz KVOTYECVRPJEPX-HNNXBMFYSA-N 2 1 317.437 1.437 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(OC)c1 ZINC000104162653 407348558 /nfs/dbraw/zinc/34/85/58/407348558.db2.gz UJCZCQKJWMKWTM-OAHLLOKOSA-N 2 1 304.438 1.626 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000170909895 407552460 /nfs/dbraw/zinc/55/24/60/407552460.db2.gz ABMSLJWBUUFEGC-OAHLLOKOSA-N 2 1 319.409 1.526 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000152284277 407599497 /nfs/dbraw/zinc/59/94/97/407599497.db2.gz QMEUSFRMIYVINU-CQSZACIVSA-N 2 1 311.495 1.580 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271841818 407732621 /nfs/dbraw/zinc/73/26/21/407732621.db2.gz TTXDGQPKJZRMQP-UHFFFAOYSA-N 2 1 318.421 1.370 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272425525 407914143 /nfs/dbraw/zinc/91/41/43/407914143.db2.gz HBXPVNNHJDUODD-NVXWUHKLSA-N 2 1 301.434 1.789 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272425525 407914148 /nfs/dbraw/zinc/91/41/48/407914148.db2.gz HBXPVNNHJDUODD-NVXWUHKLSA-N 2 1 301.434 1.789 20 30 DDEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000264054323 408354506 /nfs/dbraw/zinc/35/45/06/408354506.db2.gz AEIDDYPRQDUUDJ-UHFFFAOYSA-N 2 1 304.438 1.674 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000287551632 409054073 /nfs/dbraw/zinc/05/40/73/409054073.db2.gz PTQCKISHYVMKDX-NVXWUHKLSA-N 2 1 324.432 1.792 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000287551632 409054076 /nfs/dbraw/zinc/05/40/76/409054076.db2.gz PTQCKISHYVMKDX-NVXWUHKLSA-N 2 1 324.432 1.792 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000295060073 409310808 /nfs/dbraw/zinc/31/08/08/409310808.db2.gz RBRWKQJNGQMVJN-GFCCVEGCSA-N 2 1 313.243 1.579 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000295060073 409310811 /nfs/dbraw/zinc/31/08/11/409310811.db2.gz RBRWKQJNGQMVJN-GFCCVEGCSA-N 2 1 313.243 1.579 20 30 DDEDMP C[C@@H]1CN(CC#CCN2C[C@H](C)[NH+](C)[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000339615639 410331750 /nfs/dbraw/zinc/33/17/50/410331750.db2.gz LYNAFNPPTPLKOY-XLAORIBOSA-N 2 1 306.498 1.039 20 30 DDEDMP C=CCOc1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352700584 410675162 /nfs/dbraw/zinc/67/51/62/410675162.db2.gz SMIMRIJXYVTHDJ-KRWDZBQOSA-N 2 1 301.434 1.731 20 30 DDEDMP CN1CC[C@](O)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352935823 410689202 /nfs/dbraw/zinc/68/92/02/410689202.db2.gz JFFXMZYKBORIQI-AWEZNQCLSA-N 2 1 313.323 1.733 20 30 DDEDMP COCC[N@@H+](C)CCOc1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262646030 222287609 /nfs/dbraw/zinc/28/76/09/222287609.db2.gz JCYIIBOSBAHEGS-UHFFFAOYSA-N 2 1 320.437 1.035 20 30 DDEDMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000262845062 222298226 /nfs/dbraw/zinc/29/82/26/222298226.db2.gz VNPALNJDIMCTNF-ZBFHGGJFSA-N 2 1 308.470 1.819 20 30 DDEDMP C[NH+](C)C1(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000263204240 222306385 /nfs/dbraw/zinc/30/63/85/222306385.db2.gz XVIFOKYQPUHCGS-UHFFFAOYSA-N 2 1 304.394 1.669 20 30 DDEDMP COCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000264123110 222320903 /nfs/dbraw/zinc/32/09/03/222320903.db2.gz RQFKHVUJTHGJNC-HNNXBMFYSA-N 2 1 318.465 1.969 20 30 DDEDMP C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625009 418711497 /nfs/dbraw/zinc/71/14/97/418711497.db2.gz KKILJYRXVUKBQR-OAHLLOKOSA-N 2 1 302.422 1.752 20 30 DDEDMP C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625009 418711500 /nfs/dbraw/zinc/71/15/00/418711500.db2.gz KKILJYRXVUKBQR-OAHLLOKOSA-N 2 1 302.422 1.752 20 30 DDEDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370124576 418741403 /nfs/dbraw/zinc/74/14/03/418741403.db2.gz WINRWTZEVFAOSN-UHFFFAOYSA-N 2 1 313.409 1.772 20 30 DDEDMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000387454142 418743207 /nfs/dbraw/zinc/74/32/07/418743207.db2.gz VLBWRTZTFXBMRH-INIZCTEOSA-N 2 1 303.406 1.372 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000491665247 421201208 /nfs/dbraw/zinc/20/12/08/421201208.db2.gz KHUXLLJNIWHGMM-HOTGVXAUSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000491665247 421201210 /nfs/dbraw/zinc/20/12/10/421201210.db2.gz KHUXLLJNIWHGMM-HOTGVXAUSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000491665247 421201211 /nfs/dbraw/zinc/20/12/11/421201211.db2.gz KHUXLLJNIWHGMM-HOTGVXAUSA-N 2 1 308.470 1.361 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C#N)C(C)C)CC2)CC1 ZINC000568409827 421619758 /nfs/dbraw/zinc/61/97/58/421619758.db2.gz SVXGAVUTRNZWBE-QGZVFWFLSA-N 2 1 320.481 1.847 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759735 423713362 /nfs/dbraw/zinc/71/33/62/423713362.db2.gz IAZUGNLOVRCKDN-INIZCTEOSA-N 2 1 305.466 1.993 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660706220 424752091 /nfs/dbraw/zinc/75/20/91/424752091.db2.gz IQKOAYPPYNPMBL-HNNXBMFYSA-N 2 1 308.470 1.809 20 30 DDEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000337198284 526511760 /nfs/dbraw/zinc/51/17/60/526511760.db2.gz YBJTYHDYHXCSKT-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348317436 526597240 /nfs/dbraw/zinc/59/72/40/526597240.db2.gz IYHKCZLCKQPRBK-HUUCEWRRSA-N 2 1 324.469 1.488 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000491416693 526814158 /nfs/dbraw/zinc/81/41/58/526814158.db2.gz LARVNJRLMCOKBH-UHFFFAOYSA-N 2 1 308.470 1.363 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC000980274200 696725258 /nfs/dbraw/zinc/72/52/58/696725258.db2.gz MZADIVZKRXCSHS-HRCADAONSA-N 2 1 300.406 1.123 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974771887 695731532 /nfs/dbraw/zinc/73/15/32/695731532.db2.gz ZMUNDGKKRLKIES-INIZCTEOSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974771887 695731534 /nfs/dbraw/zinc/73/15/34/695731534.db2.gz ZMUNDGKKRLKIES-INIZCTEOSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974946304 695764189 /nfs/dbraw/zinc/76/41/89/695764189.db2.gz MEYSYWLIZQVXIA-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946304 695764190 /nfs/dbraw/zinc/76/41/90/695764190.db2.gz MEYSYWLIZQVXIA-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946304 695764191 /nfs/dbraw/zinc/76/41/91/695764191.db2.gz MEYSYWLIZQVXIA-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978199402 696340373 /nfs/dbraw/zinc/34/03/73/696340373.db2.gz QFLHHMYPBXLPOE-TVFCKZIOSA-N 2 1 317.477 1.588 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000978957999 696479980 /nfs/dbraw/zinc/47/99/80/696479980.db2.gz HUNXQEULCRSPAA-NNZMDNLPSA-N 2 1 317.477 1.588 20 30 DDEDMP CCCOc1ncccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000104180425 696619401 /nfs/dbraw/zinc/61/94/01/696619401.db2.gz YYYYNFYZJDUKQY-HNNXBMFYSA-N 2 1 319.453 1.759 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC000980477999 696783138 /nfs/dbraw/zinc/78/31/38/696783138.db2.gz LUCSPMNMJAURHM-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764861 696907504 /nfs/dbraw/zinc/90/75/04/696907504.db2.gz HVARIRXWFOIPKA-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764861 696907505 /nfs/dbraw/zinc/90/75/05/696907505.db2.gz HVARIRXWFOIPKA-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764861 696907507 /nfs/dbraw/zinc/90/75/07/696907507.db2.gz HVARIRXWFOIPKA-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557576 697150002 /nfs/dbraw/zinc/15/00/02/697150002.db2.gz RHERPKVDWVQZLA-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557576 697150003 /nfs/dbraw/zinc/15/00/03/697150003.db2.gz RHERPKVDWVQZLA-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982557576 697150005 /nfs/dbraw/zinc/15/00/05/697150005.db2.gz RHERPKVDWVQZLA-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000983493209 697271562 /nfs/dbraw/zinc/27/15/62/697271562.db2.gz ZBERJVUFIAUMNK-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000173324252 697376752 /nfs/dbraw/zinc/37/67/52/697376752.db2.gz KVKNOZYSNOYQPD-INIZCTEOSA-N 2 1 308.470 1.457 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000985790091 697573827 /nfs/dbraw/zinc/57/38/27/697573827.db2.gz PFDSEKKFSHZAFR-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N(C)c1ccccc1 ZINC000303874830 698608558 /nfs/dbraw/zinc/60/85/58/698608558.db2.gz DDGRXUHQBLCIHM-DOTOQJQBSA-N 2 1 317.481 1.900 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(C)c(OC)c1C ZINC000303972016 698611948 /nfs/dbraw/zinc/61/19/48/698611948.db2.gz FJVBYGLMQMAUIB-CQSZACIVSA-N 2 1 319.453 1.596 20 30 DDEDMP [NH2+]=C(NC/C=C/c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000304529640 698621793 /nfs/dbraw/zinc/62/17/93/698621793.db2.gz MVKLHKCYDQDNRP-XBXARRHUSA-N 2 1 302.422 1.326 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989513039 698652556 /nfs/dbraw/zinc/65/25/56/698652556.db2.gz BYEBFZNWNFFGJL-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989738369 698746828 /nfs/dbraw/zinc/74/68/28/698746828.db2.gz ABTBMMBRKYRWGC-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC[N@H+](CC(=O)NCCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000727759493 699425185 /nfs/dbraw/zinc/42/51/85/699425185.db2.gz ZLFPBBSGJKTKNZ-UHFFFAOYSA-N 2 1 302.422 1.600 20 30 DDEDMP CC[N@@H+](CC(=O)NCCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000727759493 699425187 /nfs/dbraw/zinc/42/51/87/699425187.db2.gz ZLFPBBSGJKTKNZ-UHFFFAOYSA-N 2 1 302.422 1.600 20 30 DDEDMP C[C@@H](C#N)OCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000801936865 700357890 /nfs/dbraw/zinc/35/78/90/700357890.db2.gz YAICXYJARYVWPI-PMRDEQMMSA-N 2 1 306.454 1.158 20 30 DDEDMP C[C@@H](C#N)OCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000801936865 700357897 /nfs/dbraw/zinc/35/78/97/700357897.db2.gz YAICXYJARYVWPI-PMRDEQMMSA-N 2 1 306.454 1.158 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000879567056 706719477 /nfs/dbraw/zinc/71/94/77/706719477.db2.gz LMDQFXOBVXMWBB-JFIYKMOQSA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000879567056 706719478 /nfs/dbraw/zinc/71/94/78/706719478.db2.gz LMDQFXOBVXMWBB-JFIYKMOQSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000879567056 706719480 /nfs/dbraw/zinc/71/94/80/706719480.db2.gz LMDQFXOBVXMWBB-JFIYKMOQSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)CC[C@H]21 ZINC000879567056 706719482 /nfs/dbraw/zinc/71/94/82/706719482.db2.gz LMDQFXOBVXMWBB-JFIYKMOQSA-N 2 1 315.417 1.324 20 30 DDEDMP C#CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000849037533 703613756 /nfs/dbraw/zinc/61/37/56/703613756.db2.gz OHQDVYWUTZLGEX-INIZCTEOSA-N 2 1 314.433 1.797 20 30 DDEDMP CC(C)[N@@H+](C)CC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852860959 704151598 /nfs/dbraw/zinc/15/15/98/704151598.db2.gz MTKFVNOGBTXXCB-UHFFFAOYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#Cc1ccccc1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346685 704480232 /nfs/dbraw/zinc/48/02/32/704480232.db2.gz JBZKGVLGEBUUEH-INIZCTEOSA-N 2 1 315.461 1.599 20 30 DDEDMP C#Cc1ccccc1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346685 704480233 /nfs/dbraw/zinc/48/02/33/704480233.db2.gz JBZKGVLGEBUUEH-INIZCTEOSA-N 2 1 315.461 1.599 20 30 DDEDMP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876739745 705850626 /nfs/dbraw/zinc/85/06/26/705850626.db2.gz ICDLDRZSXZFEAK-YOEHRIQHSA-N 2 1 312.417 1.203 20 30 DDEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876782636 705875220 /nfs/dbraw/zinc/87/52/20/705875220.db2.gz RDIJNOVYAKEFGQ-PJSAGSTRSA-N 2 1 324.428 1.344 20 30 DDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876782636 705875222 /nfs/dbraw/zinc/87/52/22/705875222.db2.gz RDIJNOVYAKEFGQ-PJSAGSTRSA-N 2 1 324.428 1.344 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000876932214 705929318 /nfs/dbraw/zinc/92/93/18/705929318.db2.gz HFYWTZPWLFKYBB-GFCCVEGCSA-N 2 1 303.834 1.026 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884188156 708178942 /nfs/dbraw/zinc/17/89/42/708178942.db2.gz AOLYUOWKNFBPEZ-HCEZTOJASA-N 2 1 304.438 1.116 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000884215809 708194384 /nfs/dbraw/zinc/19/43/84/708194384.db2.gz BGWPEUDQJGLMOV-IRXDYDNUSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000884215809 708194386 /nfs/dbraw/zinc/19/43/86/708194386.db2.gz BGWPEUDQJGLMOV-IRXDYDNUSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000884215809 708194387 /nfs/dbraw/zinc/19/43/87/708194387.db2.gz BGWPEUDQJGLMOV-IRXDYDNUSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000884215809 708194390 /nfs/dbraw/zinc/19/43/90/708194390.db2.gz BGWPEUDQJGLMOV-IRXDYDNUSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000884424014 708291814 /nfs/dbraw/zinc/29/18/14/708291814.db2.gz LQIPZJQFJHTGSJ-HWOWSKLDSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000884424014 708291817 /nfs/dbraw/zinc/29/18/17/708291817.db2.gz LQIPZJQFJHTGSJ-HWOWSKLDSA-N 2 1 306.454 1.256 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000899911852 709234972 /nfs/dbraw/zinc/23/49/72/709234972.db2.gz ZWMYDZOOWOINRT-INIZCTEOSA-N 2 1 315.417 1.468 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000890371595 709843226 /nfs/dbraw/zinc/84/32/26/709843226.db2.gz YVKSTORUPBWHSC-IAGOWNOFSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000890371595 709843231 /nfs/dbraw/zinc/84/32/31/709843231.db2.gz YVKSTORUPBWHSC-IAGOWNOFSA-N 2 1 318.465 1.211 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000963830711 717919584 /nfs/dbraw/zinc/91/95/84/717919584.db2.gz SKIMAUHTWMYORY-WENYZVDWSA-N 2 1 319.449 1.053 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)C[C@H]1CC[NH3+] ZINC000923430290 714353497 /nfs/dbraw/zinc/35/34/97/714353497.db2.gz DPELBDCFVJTWBZ-FVQBIDKESA-N 2 1 303.406 1.215 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490733 714375259 /nfs/dbraw/zinc/37/52/59/714375259.db2.gz OTZKTUYGDDJSCT-RCBQFDQVSA-N 2 1 301.390 1.689 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923490733 714375261 /nfs/dbraw/zinc/37/52/61/714375261.db2.gz OTZKTUYGDDJSCT-RCBQFDQVSA-N 2 1 301.390 1.689 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933738058 714659559 /nfs/dbraw/zinc/65/95/59/714659559.db2.gz DSBZZOWNEIZTOQ-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933738058 714659561 /nfs/dbraw/zinc/65/95/61/714659561.db2.gz DSBZZOWNEIZTOQ-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933738058 714659563 /nfs/dbraw/zinc/65/95/63/714659563.db2.gz DSBZZOWNEIZTOQ-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960517886 716595016 /nfs/dbraw/zinc/59/50/16/716595016.db2.gz JNOSUPPIHGBXHV-FICVDOATSA-N 2 1 323.868 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960517886 716595019 /nfs/dbraw/zinc/59/50/19/716595019.db2.gz JNOSUPPIHGBXHV-FICVDOATSA-N 2 1 323.868 1.661 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961261937 716887033 /nfs/dbraw/zinc/88/70/33/716887033.db2.gz NBAZZXQTHUHYIW-DLBZAZTESA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940747921 716942963 /nfs/dbraw/zinc/94/29/63/716942963.db2.gz RSGIDWQAZXOJFB-IAGOWNOFSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961443222 716948744 /nfs/dbraw/zinc/94/87/44/716948744.db2.gz UTAINZDRGSLUHK-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443222 716948746 /nfs/dbraw/zinc/94/87/46/716948746.db2.gz UTAINZDRGSLUHK-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443222 716948749 /nfs/dbraw/zinc/94/87/49/716948749.db2.gz UTAINZDRGSLUHK-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000961945495 717257880 /nfs/dbraw/zinc/25/78/80/717257880.db2.gz NPUXTIASJUJFIZ-TWMKSMIVSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961945495 717257882 /nfs/dbraw/zinc/25/78/82/717257882.db2.gz NPUXTIASJUJFIZ-TWMKSMIVSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961945495 717257885 /nfs/dbraw/zinc/25/78/85/717257885.db2.gz NPUXTIASJUJFIZ-TWMKSMIVSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357427 717757500 /nfs/dbraw/zinc/75/75/00/717757500.db2.gz KEDKQYCPVZJXIR-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943513832 718134316 /nfs/dbraw/zinc/13/43/16/718134316.db2.gz ANVJKIDOCOKDDN-GDBMZVCRSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028224 718378383 /nfs/dbraw/zinc/37/83/83/718378383.db2.gz GBJVMTADFSRUCG-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779151 718905698 /nfs/dbraw/zinc/90/56/98/718905698.db2.gz HRZXPBUMCJMQRZ-FJIDUMEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779151 718905703 /nfs/dbraw/zinc/90/57/03/718905703.db2.gz HRZXPBUMCJMQRZ-FJIDUMEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779151 718905707 /nfs/dbraw/zinc/90/57/07/718905707.db2.gz HRZXPBUMCJMQRZ-FJIDUMEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)C[C@H]1C ZINC000947333479 719125454 /nfs/dbraw/zinc/12/54/54/719125454.db2.gz FNXFQBQELPAINS-HUUCEWRRSA-N 2 1 314.433 1.364 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801889 719273783 /nfs/dbraw/zinc/27/37/83/719273783.db2.gz QHPFXGZRTWWPBD-CRAIPNDOSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423858 719492487 /nfs/dbraw/zinc/49/24/87/719492487.db2.gz DZLKOUYKNIARCP-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423858 719492490 /nfs/dbraw/zinc/49/24/90/719492490.db2.gz DZLKOUYKNIARCP-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000948423858 719492491 /nfs/dbraw/zinc/49/24/91/719492491.db2.gz DZLKOUYKNIARCP-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742411 719682197 /nfs/dbraw/zinc/68/21/97/719682197.db2.gz IZCCFVOCXSAHCE-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C(C)C)CC[C@@H]2C)CC1 ZINC000968682402 719734118 /nfs/dbraw/zinc/73/41/18/719734118.db2.gz RAXNRTJRNPOAGD-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832873 720525406 /nfs/dbraw/zinc/52/54/06/720525406.db2.gz KDRCOAPPGWJPBR-WMLDXEAASA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970339535 720719137 /nfs/dbraw/zinc/71/91/37/720719137.db2.gz UGZNJCCBAVPQQP-GXTWGEPZSA-N 2 1 302.422 1.376 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020396915 732317363 /nfs/dbraw/zinc/31/73/63/732317363.db2.gz IRHNBXMZNJRKGM-QAQDUYKDSA-N 2 1 323.400 1.500 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001021047508 732913539 /nfs/dbraw/zinc/91/35/39/732913539.db2.gz FVEDLGQSPWRAEY-ULQDDVLXSA-N 2 1 312.417 1.247 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165711 732990487 /nfs/dbraw/zinc/99/04/87/732990487.db2.gz RMMNMVQNJDMXJD-FUHWJXTLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663727 733417145 /nfs/dbraw/zinc/41/71/45/733417145.db2.gz DRQDEPQGSDRIPY-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001021679546 733436570 /nfs/dbraw/zinc/43/65/70/733436570.db2.gz OWRRLMHJWULQGD-ZBFHGGJFSA-N 2 1 302.422 1.841 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001021700682 733464046 /nfs/dbraw/zinc/46/40/46/733464046.db2.gz RXUPICCXOYNMPZ-LSDHHAIUSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718259 733482253 /nfs/dbraw/zinc/48/22/53/733482253.db2.gz VYKOIJXFQRKQGN-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001121260781 782428097 /nfs/dbraw/zinc/42/80/97/782428097.db2.gz JABALKRNAGBZHB-RFSHTEQGSA-N 2 1 317.477 1.901 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422186 734783206 /nfs/dbraw/zinc/78/32/06/734783206.db2.gz DZUOJCZQIMUQPT-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247212 734899834 /nfs/dbraw/zinc/89/98/34/734899834.db2.gz IGWUBDJKTXEJGY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247212 734899835 /nfs/dbraw/zinc/89/98/35/734899835.db2.gz IGWUBDJKTXEJGY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247212 734899836 /nfs/dbraw/zinc/89/98/36/734899836.db2.gz IGWUBDJKTXEJGY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247212 734899839 /nfs/dbraw/zinc/89/98/39/734899839.db2.gz IGWUBDJKTXEJGY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247212 734899840 /nfs/dbraw/zinc/89/98/40/734899840.db2.gz IGWUBDJKTXEJGY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001027976448 738896254 /nfs/dbraw/zinc/89/62/54/738896254.db2.gz AOTNUKGRPJNPIU-LSDHHAIUSA-N 2 1 302.422 1.602 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301961 735983717 /nfs/dbraw/zinc/98/37/17/735983717.db2.gz LLZNZEZCUSZBHZ-ZACQAIPSSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104681110 736512908 /nfs/dbraw/zinc/51/29/08/736512908.db2.gz DVALPUYMNPZNHW-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099871 737116801 /nfs/dbraw/zinc/11/68/01/737116801.db2.gz JPMJMZFJEZYDIG-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099871 737116803 /nfs/dbraw/zinc/11/68/03/737116803.db2.gz JPMJMZFJEZYDIG-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099871 737116806 /nfs/dbraw/zinc/11/68/06/737116806.db2.gz JPMJMZFJEZYDIG-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908914 737363268 /nfs/dbraw/zinc/36/32/68/737363268.db2.gz QHKXCCLOONCPGG-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908247 737364249 /nfs/dbraw/zinc/36/42/49/737364249.db2.gz OQRFWFHSXOFATD-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CC(CC)CC ZINC001038365373 737396314 /nfs/dbraw/zinc/39/63/14/737396314.db2.gz BVVSRIKMDOEOBF-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442340 738299313 /nfs/dbraw/zinc/29/93/13/738299313.db2.gz DMPCFWPRTZXDBP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442340 738299315 /nfs/dbraw/zinc/29/93/15/738299315.db2.gz DMPCFWPRTZXDBP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442340 738299321 /nfs/dbraw/zinc/29/93/21/738299321.db2.gz DMPCFWPRTZXDBP-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028087872 739014853 /nfs/dbraw/zinc/01/48/53/739014853.db2.gz BAFGXQXRVCHVNC-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028087872 739014857 /nfs/dbraw/zinc/01/48/57/739014857.db2.gz BAFGXQXRVCHVNC-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028087872 739014864 /nfs/dbraw/zinc/01/48/64/739014864.db2.gz BAFGXQXRVCHVNC-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028195284 739147607 /nfs/dbraw/zinc/14/76/07/739147607.db2.gz MKVKVUHYLFWEHZ-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544988 739650512 /nfs/dbraw/zinc/65/05/12/739650512.db2.gz LYKUTAJZRPAREW-WBVHZDCISA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590551 739718990 /nfs/dbraw/zinc/71/89/90/739718990.db2.gz AEECLYKLNYCDSP-LSDHHAIUSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590551 739718992 /nfs/dbraw/zinc/71/89/92/739718992.db2.gz AEECLYKLNYCDSP-LSDHHAIUSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001534 740246151 /nfs/dbraw/zinc/24/61/51/740246151.db2.gz ZDFRTDCTKJCVNX-MRXNPFEDSA-N 2 1 313.445 1.823 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035478293 751533211 /nfs/dbraw/zinc/53/32/11/751533211.db2.gz MVSAWLMCTMPNTJ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001035478293 751533215 /nfs/dbraw/zinc/53/32/15/751533215.db2.gz MVSAWLMCTMPNTJ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035478293 751533216 /nfs/dbraw/zinc/53/32/16/751533216.db2.gz MVSAWLMCTMPNTJ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035478293 751533219 /nfs/dbraw/zinc/53/32/19/751533219.db2.gz MVSAWLMCTMPNTJ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815424 742439270 /nfs/dbraw/zinc/43/92/70/742439270.db2.gz PBRPPUOWJCAIDI-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815424 742439273 /nfs/dbraw/zinc/43/92/73/742439273.db2.gz PBRPPUOWJCAIDI-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815424 742439275 /nfs/dbraw/zinc/43/92/75/742439275.db2.gz PBRPPUOWJCAIDI-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815424 742439276 /nfs/dbraw/zinc/43/92/76/742439276.db2.gz PBRPPUOWJCAIDI-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927896 751744888 /nfs/dbraw/zinc/74/48/88/751744888.db2.gz ZCZRMBGYDVUPBN-FOLVSLTJSA-N 2 1 302.422 1.629 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114927896 751744897 /nfs/dbraw/zinc/74/48/97/751744897.db2.gz ZCZRMBGYDVUPBN-FOLVSLTJSA-N 2 1 302.422 1.629 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246623 742619724 /nfs/dbraw/zinc/61/97/24/742619724.db2.gz BIDFWCJRWGRSEF-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246623 742619723 /nfs/dbraw/zinc/61/97/23/742619723.db2.gz BIDFWCJRWGRSEF-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246623 742619725 /nfs/dbraw/zinc/61/97/25/742619725.db2.gz BIDFWCJRWGRSEF-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3ccnc3C)[C@@H]2C1 ZINC001076571528 742793418 /nfs/dbraw/zinc/79/34/18/742793418.db2.gz MYYPOQNXZQEANO-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076571528 742793421 /nfs/dbraw/zinc/79/34/21/742793421.db2.gz MYYPOQNXZQEANO-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001076571528 742793424 /nfs/dbraw/zinc/79/34/24/742793424.db2.gz MYYPOQNXZQEANO-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184691955 744081297 /nfs/dbraw/zinc/08/12/97/744081297.db2.gz BRTSFTDCAKEMMQ-UONOGXRCSA-N 2 1 318.421 1.057 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001186825102 744455190 /nfs/dbraw/zinc/45/51/90/744455190.db2.gz ZNMCVDPVAHAJMN-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001099122546 744656583 /nfs/dbraw/zinc/65/65/83/744656583.db2.gz ZBZSIKHZOSTGLS-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099122546 744656584 /nfs/dbraw/zinc/65/65/84/744656584.db2.gz ZBZSIKHZOSTGLS-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099122546 744656586 /nfs/dbraw/zinc/65/65/86/744656586.db2.gz ZBZSIKHZOSTGLS-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001188146165 744665972 /nfs/dbraw/zinc/66/59/72/744665972.db2.gz WQAZXQKOENMBMP-GOSISDBHSA-N 2 1 313.445 1.569 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117337 744821896 /nfs/dbraw/zinc/82/18/96/744821896.db2.gz ITCKLXCQPQZTGW-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117337 744821897 /nfs/dbraw/zinc/82/18/97/744821897.db2.gz ITCKLXCQPQZTGW-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117337 744821898 /nfs/dbraw/zinc/82/18/98/744821898.db2.gz ITCKLXCQPQZTGW-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189245645 744852894 /nfs/dbraw/zinc/85/28/94/744852894.db2.gz DVZSYKZGAOUKRL-OFQRWUPVSA-N 2 1 302.422 1.840 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992406202 744858606 /nfs/dbraw/zinc/85/86/06/744858606.db2.gz HLHHKXATUWNXTE-CRAIPNDOSA-N 2 1 301.434 1.219 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](C(C)C)CC3)CC1 ZINC000992514407 744931746 /nfs/dbraw/zinc/93/17/46/744931746.db2.gz XPQXJVCAOCZWDL-IEBWSBKVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654295 745285670 /nfs/dbraw/zinc/28/56/70/745285670.db2.gz JKUJFSGGEXIANI-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654295 745285671 /nfs/dbraw/zinc/28/56/71/745285671.db2.gz JKUJFSGGEXIANI-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000992919487 745292423 /nfs/dbraw/zinc/29/24/23/745292423.db2.gz OIBFRSSOGPJECP-BZUAXINKSA-N 2 1 300.406 1.041 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082381 745420301 /nfs/dbraw/zinc/42/03/01/745420301.db2.gz XTSKWVXAQJDCBK-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082381 745420303 /nfs/dbraw/zinc/42/03/03/745420303.db2.gz XTSKWVXAQJDCBK-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082381 745420304 /nfs/dbraw/zinc/42/03/04/745420304.db2.gz XTSKWVXAQJDCBK-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571426 745799517 /nfs/dbraw/zinc/79/95/17/745799517.db2.gz ZXDMETHMKSHULO-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001112380684 745850105 /nfs/dbraw/zinc/85/01/05/745850105.db2.gz UINDKHDQQKLISP-SCTDSRPQSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001192778132 745888255 /nfs/dbraw/zinc/88/82/55/745888255.db2.gz JKTWLULKSBREJK-GDBMZVCRSA-N 2 1 320.437 1.324 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001192778132 745888256 /nfs/dbraw/zinc/88/82/56/745888256.db2.gz JKTWLULKSBREJK-GDBMZVCRSA-N 2 1 320.437 1.324 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993531675 746200636 /nfs/dbraw/zinc/20/06/36/746200636.db2.gz UMTBGBUHGQLTDI-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993531675 746200640 /nfs/dbraw/zinc/20/06/40/746200640.db2.gz UMTBGBUHGQLTDI-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367430 746845007 /nfs/dbraw/zinc/84/50/07/746845007.db2.gz YBGAGSPOFRVJCE-UHFFFAOYSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(=C)C)CC1 ZINC001003056291 746946102 /nfs/dbraw/zinc/94/61/02/746946102.db2.gz OJTWONMYMYAMTR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(=C)C)CC1 ZINC001003056291 746946104 /nfs/dbraw/zinc/94/61/04/746946104.db2.gz OJTWONMYMYAMTR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001196910173 747006199 /nfs/dbraw/zinc/00/61/99/747006199.db2.gz LHDYQSVKNWMSAQ-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001196910173 747006205 /nfs/dbraw/zinc/00/62/05/747006205.db2.gz LHDYQSVKNWMSAQ-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001196910173 747006212 /nfs/dbraw/zinc/00/62/12/747006212.db2.gz LHDYQSVKNWMSAQ-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001196910173 747006216 /nfs/dbraw/zinc/00/62/16/747006216.db2.gz LHDYQSVKNWMSAQ-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089538240 747176853 /nfs/dbraw/zinc/17/68/53/747176853.db2.gz VOCXGUYGDDXWHN-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089538240 747176856 /nfs/dbraw/zinc/17/68/56/747176856.db2.gz VOCXGUYGDDXWHN-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089538240 747176859 /nfs/dbraw/zinc/17/68/59/747176859.db2.gz VOCXGUYGDDXWHN-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560500 747221592 /nfs/dbraw/zinc/22/15/92/747221592.db2.gz ZLSVSGFNRHPDBQ-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560500 747221595 /nfs/dbraw/zinc/22/15/95/747221595.db2.gz ZLSVSGFNRHPDBQ-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689488 747659721 /nfs/dbraw/zinc/65/97/21/747659721.db2.gz FKQBFDYYNPFNTR-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089731526 747709956 /nfs/dbraw/zinc/70/99/56/747709956.db2.gz FOZDRFXWWBLMNS-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089731526 747709961 /nfs/dbraw/zinc/70/99/61/747709961.db2.gz FOZDRFXWWBLMNS-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089731526 747709965 /nfs/dbraw/zinc/70/99/65/747709965.db2.gz FOZDRFXWWBLMNS-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115280 748126925 /nfs/dbraw/zinc/12/69/25/748126925.db2.gz KUTXGVXPHKVZMM-ZIAGYGMSSA-N 2 1 315.845 1.040 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200124098 748141899 /nfs/dbraw/zinc/14/18/99/748141899.db2.gz XWCAFHYSOHBOMI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004598111 748577058 /nfs/dbraw/zinc/57/70/58/748577058.db2.gz UEUQUVFNPYQEEN-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004598111 748577060 /nfs/dbraw/zinc/57/70/60/748577060.db2.gz UEUQUVFNPYQEEN-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004598111 748577062 /nfs/dbraw/zinc/57/70/62/748577062.db2.gz UEUQUVFNPYQEEN-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001036219550 752296439 /nfs/dbraw/zinc/29/64/39/752296439.db2.gz QVUZGOYKUFQFLZ-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001110665042 748876415 /nfs/dbraw/zinc/87/64/15/748876415.db2.gz JJNNKJYAKQKZQI-OAGGEKHMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001114368270 749116293 /nfs/dbraw/zinc/11/62/93/749116293.db2.gz IVGGVUYUPJXBIU-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114368270 749116294 /nfs/dbraw/zinc/11/62/94/749116294.db2.gz IVGGVUYUPJXBIU-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114368270 749116297 /nfs/dbraw/zinc/11/62/97/749116297.db2.gz IVGGVUYUPJXBIU-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413931 749180558 /nfs/dbraw/zinc/18/05/58/749180558.db2.gz JFIVEDVCNPEVAK-KBEGMRNHSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114413931 749180562 /nfs/dbraw/zinc/18/05/62/749180562.db2.gz JFIVEDVCNPEVAK-KBEGMRNHSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114413931 749180566 /nfs/dbraw/zinc/18/05/66/749180566.db2.gz JFIVEDVCNPEVAK-KBEGMRNHSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001000560064 761935984 /nfs/dbraw/zinc/93/59/84/761935984.db2.gz SSAUMYBPZJBZFA-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC1CC1 ZINC001153868167 749285858 /nfs/dbraw/zinc/28/58/58/749285858.db2.gz MQFJSZGUKGZTPR-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001153868167 749285866 /nfs/dbraw/zinc/28/58/66/749285866.db2.gz MQFJSZGUKGZTPR-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CC1 ZINC001153868167 749285872 /nfs/dbraw/zinc/28/58/72/749285872.db2.gz MQFJSZGUKGZTPR-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC1CC1 ZINC001153868167 749285878 /nfs/dbraw/zinc/28/58/78/749285878.db2.gz MQFJSZGUKGZTPR-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001033686012 749716791 /nfs/dbraw/zinc/71/67/91/749716791.db2.gz YIKNXHNQJAVIPS-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000996624581 749784720 /nfs/dbraw/zinc/78/47/20/749784720.db2.gz YTRGVAAROGTWKR-INIZCTEOSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000996624581 749784724 /nfs/dbraw/zinc/78/47/24/749784724.db2.gz YTRGVAAROGTWKR-INIZCTEOSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932312 750144203 /nfs/dbraw/zinc/14/42/03/750144203.db2.gz LEVJJGJBHMPSRW-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932312 750144207 /nfs/dbraw/zinc/14/42/07/750144207.db2.gz LEVJJGJBHMPSRW-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932312 750144212 /nfs/dbraw/zinc/14/42/12/750144212.db2.gz LEVJJGJBHMPSRW-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932312 750144217 /nfs/dbraw/zinc/14/42/17/750144217.db2.gz LEVJJGJBHMPSRW-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034047203 750314585 /nfs/dbraw/zinc/31/45/85/750314585.db2.gz DEDQDZZINOJJMO-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034047203 750314593 /nfs/dbraw/zinc/31/45/93/750314593.db2.gz DEDQDZZINOJJMO-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034047203 750314598 /nfs/dbraw/zinc/31/45/98/750314598.db2.gz DEDQDZZINOJJMO-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034047203 750314603 /nfs/dbraw/zinc/31/46/03/750314603.db2.gz DEDQDZZINOJJMO-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039437457 762031573 /nfs/dbraw/zinc/03/15/73/762031573.db2.gz LOTXINUHIVFHSX-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437457 762031581 /nfs/dbraw/zinc/03/15/81/762031581.db2.gz LOTXINUHIVFHSX-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437457 762031593 /nfs/dbraw/zinc/03/15/93/762031593.db2.gz LOTXINUHIVFHSX-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC)C2)CC1 ZINC001034537356 750538705 /nfs/dbraw/zinc/53/87/05/750538705.db2.gz ACWZIWGWGOXSAI-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411722 750634418 /nfs/dbraw/zinc/63/44/18/750634418.db2.gz UHDWMECWKZALJH-VQHPVUNQSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034662138 750643222 /nfs/dbraw/zinc/64/32/22/750643222.db2.gz DLBNQVHGFURBDL-ULQDDVLXSA-N 2 1 305.466 1.900 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997190258 750677355 /nfs/dbraw/zinc/67/73/55/750677355.db2.gz LUICICNPORJKME-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035245877 751328454 /nfs/dbraw/zinc/32/84/54/751328454.db2.gz GTHJAPJMMXPXBU-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035245877 751328458 /nfs/dbraw/zinc/32/84/58/751328458.db2.gz GTHJAPJMMXPXBU-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035245877 751328463 /nfs/dbraw/zinc/32/84/63/751328463.db2.gz GTHJAPJMMXPXBU-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035259568 751336847 /nfs/dbraw/zinc/33/68/47/751336847.db2.gz YHKAEDUNNPPOBN-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035259568 751336854 /nfs/dbraw/zinc/33/68/54/751336854.db2.gz YHKAEDUNNPPOBN-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035259568 751336860 /nfs/dbraw/zinc/33/68/60/751336860.db2.gz YHKAEDUNNPPOBN-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999212221 752659879 /nfs/dbraw/zinc/65/98/79/752659879.db2.gz XOYSMMJCBPCUOV-CJNGLKHVSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999212221 752659881 /nfs/dbraw/zinc/65/98/81/752659881.db2.gz XOYSMMJCBPCUOV-CJNGLKHVSA-N 2 1 317.437 1.557 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001000755737 762160386 /nfs/dbraw/zinc/16/03/86/762160386.db2.gz AFCOZWVEPSPORD-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001000755737 762160390 /nfs/dbraw/zinc/16/03/90/762160390.db2.gz AFCOZWVEPSPORD-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001000755737 762160394 /nfs/dbraw/zinc/16/03/94/762160394.db2.gz AFCOZWVEPSPORD-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991964 753024853 /nfs/dbraw/zinc/02/48/53/753024853.db2.gz DSKLGWOGJUWSIV-INIZCTEOSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991964 753024858 /nfs/dbraw/zinc/02/48/58/753024858.db2.gz DSKLGWOGJUWSIV-INIZCTEOSA-N 2 1 323.400 1.485 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108180191 753570695 /nfs/dbraw/zinc/57/06/95/753570695.db2.gz CICLHSJLXXTTPX-GOSISDBHSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108025302 753584338 /nfs/dbraw/zinc/58/43/38/753584338.db2.gz YYFWXZDVTJRNKD-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181168 753584705 /nfs/dbraw/zinc/58/47/05/753584705.db2.gz TUUXMJNEGIWXMJ-GOSISDBHSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040106668 762386333 /nfs/dbraw/zinc/38/63/33/762386333.db2.gz CJNUEEXPVRYIMR-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040106668 762386336 /nfs/dbraw/zinc/38/63/36/762386336.db2.gz CJNUEEXPVRYIMR-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040106668 762386343 /nfs/dbraw/zinc/38/63/43/762386343.db2.gz CJNUEEXPVRYIMR-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079948994 755649543 /nfs/dbraw/zinc/64/95/43/755649543.db2.gz JQUPTJYKRSWQST-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310854 755843294 /nfs/dbraw/zinc/84/32/94/755843294.db2.gz HDEHMPBVPGUOMS-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310854 755843299 /nfs/dbraw/zinc/84/32/99/755843299.db2.gz HDEHMPBVPGUOMS-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310854 755843306 /nfs/dbraw/zinc/84/33/06/755843306.db2.gz HDEHMPBVPGUOMS-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082199967 756673804 /nfs/dbraw/zinc/67/38/04/756673804.db2.gz LECTWBUZSBDLLR-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015973905 756689442 /nfs/dbraw/zinc/68/94/42/756689442.db2.gz UREHQSHXGFWYOB-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015973905 756689446 /nfs/dbraw/zinc/68/94/46/756689446.db2.gz UREHQSHXGFWYOB-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015973905 756689448 /nfs/dbraw/zinc/68/94/48/756689448.db2.gz UREHQSHXGFWYOB-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384697 756763553 /nfs/dbraw/zinc/76/35/53/756763553.db2.gz HZSZYSJXTPVWOG-IAGOWNOFSA-N 2 1 317.433 1.363 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](OC)C1 ZINC001082384697 756763556 /nfs/dbraw/zinc/76/35/56/756763556.db2.gz HZSZYSJXTPVWOG-IAGOWNOFSA-N 2 1 317.433 1.363 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001016253377 756870989 /nfs/dbraw/zinc/87/09/89/756870989.db2.gz FSQWXGJWVPJMKP-ROUUACIJSA-N 2 1 311.429 1.180 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001016253377 756870994 /nfs/dbraw/zinc/87/09/94/756870994.db2.gz FSQWXGJWVPJMKP-ROUUACIJSA-N 2 1 311.429 1.180 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001016253377 756871002 /nfs/dbraw/zinc/87/10/02/756871002.db2.gz FSQWXGJWVPJMKP-ROUUACIJSA-N 2 1 311.429 1.180 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001016253377 756871009 /nfs/dbraw/zinc/87/10/09/756871009.db2.gz FSQWXGJWVPJMKP-ROUUACIJSA-N 2 1 311.429 1.180 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001082708805 756899683 /nfs/dbraw/zinc/89/96/83/756899683.db2.gz OPOKGLGJBWQPNX-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCF)CC2 ZINC001016670733 757252906 /nfs/dbraw/zinc/25/29/06/757252906.db2.gz RRSSPFGEIVIUMQ-GJZGRUSLSA-N 2 1 307.413 1.024 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCF)CC2 ZINC001016670733 757252911 /nfs/dbraw/zinc/25/29/11/757252911.db2.gz RRSSPFGEIVIUMQ-GJZGRUSLSA-N 2 1 307.413 1.024 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084398587 757555513 /nfs/dbraw/zinc/55/55/13/757555513.db2.gz HBUJPKAWTARJPV-KZNAEPCWSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398587 757555522 /nfs/dbraw/zinc/55/55/22/757555522.db2.gz HBUJPKAWTARJPV-KZNAEPCWSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398587 757555531 /nfs/dbraw/zinc/55/55/31/757555531.db2.gz HBUJPKAWTARJPV-KZNAEPCWSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403016 757559460 /nfs/dbraw/zinc/55/94/60/757559460.db2.gz BNUQNTSQKBTJNY-BRWVUGGUSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403016 757559463 /nfs/dbraw/zinc/55/94/63/757559463.db2.gz BNUQNTSQKBTJNY-BRWVUGGUSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403016 757559469 /nfs/dbraw/zinc/55/94/69/757559469.db2.gz BNUQNTSQKBTJNY-BRWVUGGUSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403016 757559473 /nfs/dbraw/zinc/55/94/73/757559473.db2.gz BNUQNTSQKBTJNY-BRWVUGGUSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403320 757559755 /nfs/dbraw/zinc/55/97/55/757559755.db2.gz PKERDRLVLVWFSR-KZNAEPCWSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403320 757559759 /nfs/dbraw/zinc/55/97/59/757559759.db2.gz PKERDRLVLVWFSR-KZNAEPCWSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403320 757559762 /nfs/dbraw/zinc/55/97/62/757559762.db2.gz PKERDRLVLVWFSR-KZNAEPCWSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476311 757615042 /nfs/dbraw/zinc/61/50/42/757615042.db2.gz SCOJFGXCOMUSPY-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476311 757615047 /nfs/dbraw/zinc/61/50/47/757615047.db2.gz SCOJFGXCOMUSPY-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476311 757615053 /nfs/dbraw/zinc/61/50/53/757615053.db2.gz SCOJFGXCOMUSPY-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723606 757815796 /nfs/dbraw/zinc/81/57/96/757815796.db2.gz QBFZHGAZNJAKMC-QZTJIDSGSA-N 2 1 311.429 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001084723606 757815809 /nfs/dbraw/zinc/81/58/09/757815809.db2.gz QBFZHGAZNJAKMC-QZTJIDSGSA-N 2 1 311.429 1.528 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040528489 762579328 /nfs/dbraw/zinc/57/93/28/762579328.db2.gz LYBPDNLCAPSJAE-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCC)C[C@H]32)CC1 ZINC001084851093 757977190 /nfs/dbraw/zinc/97/71/90/757977190.db2.gz MOGLMROEAYINOQ-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953301 758092016 /nfs/dbraw/zinc/09/20/16/758092016.db2.gz AOJIRVMDLGZPPX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953301 758092027 /nfs/dbraw/zinc/09/20/27/758092027.db2.gz AOJIRVMDLGZPPX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953301 758092033 /nfs/dbraw/zinc/09/20/33/758092033.db2.gz AOJIRVMDLGZPPX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016726 758151775 /nfs/dbraw/zinc/15/17/75/758151775.db2.gz IPSAWYSHSSQJGE-IXDOHACOSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016726 758151781 /nfs/dbraw/zinc/15/17/81/758151781.db2.gz IPSAWYSHSSQJGE-IXDOHACOSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016726 758151787 /nfs/dbraw/zinc/15/17/87/758151787.db2.gz IPSAWYSHSSQJGE-IXDOHACOSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016726 758151795 /nfs/dbraw/zinc/15/17/95/758151795.db2.gz IPSAWYSHSSQJGE-IXDOHACOSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001053582160 758594037 /nfs/dbraw/zinc/59/40/37/758594037.db2.gz ALPNKHJQRCSUIH-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822093 758851815 /nfs/dbraw/zinc/85/18/15/758851815.db2.gz GAXCKQFWVPPCQC-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745531 762670623 /nfs/dbraw/zinc/67/06/23/762670623.db2.gz NIQGJKGEHLCBNK-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001040745531 762670625 /nfs/dbraw/zinc/67/06/25/762670625.db2.gz NIQGJKGEHLCBNK-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053924733 758960367 /nfs/dbraw/zinc/96/03/67/758960367.db2.gz BPFMLOBWVVOIFH-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053924733 758960375 /nfs/dbraw/zinc/96/03/75/758960375.db2.gz BPFMLOBWVVOIFH-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001018628931 759047522 /nfs/dbraw/zinc/04/75/22/759047522.db2.gz TXLVQCPJIIUENZ-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145387 759222933 /nfs/dbraw/zinc/22/29/33/759222933.db2.gz OPJFFHAICXBZLN-WMZOPIPTSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197923 759284552 /nfs/dbraw/zinc/28/45/52/759284552.db2.gz LVILBLLPWUBTIS-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197923 759284560 /nfs/dbraw/zinc/28/45/60/759284560.db2.gz LVILBLLPWUBTIS-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197923 759284567 /nfs/dbraw/zinc/28/45/67/759284567.db2.gz LVILBLLPWUBTIS-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001019383725 759878480 /nfs/dbraw/zinc/87/84/80/759878480.db2.gz LLVPHDLYXNBDPJ-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085929882 760557588 /nfs/dbraw/zinc/55/75/88/760557588.db2.gz IVUKCRFQZZDGHQ-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085929882 760557595 /nfs/dbraw/zinc/55/75/95/760557595.db2.gz IVUKCRFQZZDGHQ-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001393246 762819663 /nfs/dbraw/zinc/81/96/63/762819663.db2.gz NNASVNWJFXHISJ-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001001465558 762887589 /nfs/dbraw/zinc/88/75/89/762887589.db2.gz CYBQBRFYCGKZLN-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041297162 762943283 /nfs/dbraw/zinc/94/32/83/762943283.db2.gz OFEBOHGYLFNVKB-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041297162 762943288 /nfs/dbraw/zinc/94/32/88/762943288.db2.gz OFEBOHGYLFNVKB-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041297162 762943293 /nfs/dbraw/zinc/94/32/93/762943293.db2.gz OFEBOHGYLFNVKB-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041306379 762948097 /nfs/dbraw/zinc/94/80/97/762948097.db2.gz GTOOIFCZGADORX-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041306379 762948103 /nfs/dbraw/zinc/94/81/03/762948103.db2.gz GTOOIFCZGADORX-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041306379 762948106 /nfs/dbraw/zinc/94/81/06/762948106.db2.gz GTOOIFCZGADORX-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041349295 762973151 /nfs/dbraw/zinc/97/31/51/762973151.db2.gz MVEJWMWVHZLKLX-HKUYNNGSSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349295 762973160 /nfs/dbraw/zinc/97/31/60/762973160.db2.gz MVEJWMWVHZLKLX-HKUYNNGSSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349295 762973172 /nfs/dbraw/zinc/97/31/72/762973172.db2.gz MVEJWMWVHZLKLX-HKUYNNGSSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041360563 762979464 /nfs/dbraw/zinc/97/94/64/762979464.db2.gz ZEYKEEZUKRZVNZ-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041360563 762979469 /nfs/dbraw/zinc/97/94/69/762979469.db2.gz ZEYKEEZUKRZVNZ-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041360563 762979476 /nfs/dbraw/zinc/97/94/76/762979476.db2.gz ZEYKEEZUKRZVNZ-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050130420 763186391 /nfs/dbraw/zinc/18/63/91/763186391.db2.gz YATWLISTEVCZRI-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109361225 763603818 /nfs/dbraw/zinc/60/38/18/763603818.db2.gz OXQSXNXKGCUSDG-UGUYLWEFSA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@H](C)O2 ZINC001131697412 768279061 /nfs/dbraw/zinc/27/90/61/768279061.db2.gz KNMTVCZJHBKQCO-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131694431 768276970 /nfs/dbraw/zinc/27/69/70/768276970.db2.gz XHZDHNORSKZXKN-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CCC)C[C@H](C)O2 ZINC001131697412 768279054 /nfs/dbraw/zinc/27/90/54/768279054.db2.gz KNMTVCZJHBKQCO-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@H](C)O2 ZINC001131697412 768279058 /nfs/dbraw/zinc/27/90/58/768279058.db2.gz KNMTVCZJHBKQCO-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001113431960 765687966 /nfs/dbraw/zinc/68/79/66/765687966.db2.gz CKPGADHWOZCLBX-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447883 765839017 /nfs/dbraw/zinc/83/90/17/765839017.db2.gz OFPMHYYFDSMSIJ-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447883 765839024 /nfs/dbraw/zinc/83/90/24/765839024.db2.gz OFPMHYYFDSMSIJ-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001044866847 765861024 /nfs/dbraw/zinc/86/10/24/765861024.db2.gz XVBPKDBGWNSSFH-JSGCOSHPSA-N 2 1 310.829 1.913 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619338 766004766 /nfs/dbraw/zinc/00/47/66/766004766.db2.gz FUFPXHKNUDSQBW-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001113723542 766064042 /nfs/dbraw/zinc/06/40/42/766064042.db2.gz ZIJLLEPAORDZIN-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045980125 766757891 /nfs/dbraw/zinc/75/78/91/766757891.db2.gz RREQTWQAKGZFPH-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980125 766757896 /nfs/dbraw/zinc/75/78/96/766757896.db2.gz RREQTWQAKGZFPH-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980125 766757897 /nfs/dbraw/zinc/75/78/97/766757897.db2.gz RREQTWQAKGZFPH-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046324771 767423936 /nfs/dbraw/zinc/42/39/36/767423936.db2.gz AGROJMUTEXWSSZ-KRWDZBQOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046575842 767704088 /nfs/dbraw/zinc/70/40/88/767704088.db2.gz RWUWBKPGTRQYOU-MAUKXSAKSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046575842 767704090 /nfs/dbraw/zinc/70/40/90/767704090.db2.gz RWUWBKPGTRQYOU-MAUKXSAKSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001047566117 768577450 /nfs/dbraw/zinc/57/74/50/768577450.db2.gz XENOTXDHQBQKGM-IRXDYDNUSA-N 2 1 317.433 1.051 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001047566117 768577455 /nfs/dbraw/zinc/57/74/55/768577455.db2.gz XENOTXDHQBQKGM-IRXDYDNUSA-N 2 1 317.433 1.051 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265159 768719274 /nfs/dbraw/zinc/71/92/74/768719274.db2.gz IQSBNVMFRRJIIA-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790290 769198975 /nfs/dbraw/zinc/19/89/75/769198975.db2.gz DVNDUBMQEOAKIG-QGZVFWFLSA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863493 770008687 /nfs/dbraw/zinc/00/86/87/770008687.db2.gz DMHOHLKBKSTJBC-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCN1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001071775893 770046422 /nfs/dbraw/zinc/04/64/22/770046422.db2.gz JOIDKPAEFNWIOF-UKRRQHHQSA-N 2 1 303.406 1.557 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048911652 770097277 /nfs/dbraw/zinc/09/72/77/770097277.db2.gz NGTGVHSPXXLSRC-GASCZTMLSA-N 2 1 308.385 1.280 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001133834362 770321057 /nfs/dbraw/zinc/32/10/57/770321057.db2.gz VLDQZVHBOCCCRP-OAHLLOKOSA-N 2 1 317.408 1.367 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049505453 770942815 /nfs/dbraw/zinc/94/28/15/770942815.db2.gz OZWBGKUTZUXPKE-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049505453 770942819 /nfs/dbraw/zinc/94/28/19/770942819.db2.gz OZWBGKUTZUXPKE-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049505453 770942820 /nfs/dbraw/zinc/94/28/20/770942820.db2.gz OZWBGKUTZUXPKE-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049509291 770947347 /nfs/dbraw/zinc/94/73/47/770947347.db2.gz SKCJIAVUNMUPOT-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509291 770947356 /nfs/dbraw/zinc/94/73/56/770947356.db2.gz SKCJIAVUNMUPOT-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509291 770947366 /nfs/dbraw/zinc/94/73/66/770947366.db2.gz SKCJIAVUNMUPOT-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049532239 770990678 /nfs/dbraw/zinc/99/06/78/770990678.db2.gz IAGHEQZGTMYEFA-BBWFWOEESA-N 2 1 305.466 1.661 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049663074 771062754 /nfs/dbraw/zinc/06/27/54/771062754.db2.gz KTPQNWJFFXZEPX-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049663074 771062761 /nfs/dbraw/zinc/06/27/61/771062761.db2.gz KTPQNWJFFXZEPX-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049706097 771100543 /nfs/dbraw/zinc/10/05/43/771100543.db2.gz XZUMVANNBPMOLY-YESZJQIVSA-N 2 1 305.466 1.661 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791459 771160876 /nfs/dbraw/zinc/16/08/76/771160876.db2.gz VFBYPRHYCIQLPC-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791459 771160878 /nfs/dbraw/zinc/16/08/78/771160878.db2.gz VFBYPRHYCIQLPC-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021539 771282244 /nfs/dbraw/zinc/28/22/44/771282244.db2.gz PCQCXGDQSGTNEW-ZIAGYGMSSA-N 2 1 304.438 1.821 20 30 DDEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135811769 771733567 /nfs/dbraw/zinc/73/35/67/771733567.db2.gz SSZDAVMJQDBJOA-KBPBESRZSA-N 2 1 313.405 1.940 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298268 773092680 /nfs/dbraw/zinc/09/26/80/773092680.db2.gz SDHTUAQINMOEDK-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298268 773092685 /nfs/dbraw/zinc/09/26/85/773092685.db2.gz SDHTUAQINMOEDK-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298268 773092688 /nfs/dbraw/zinc/09/26/88/773092688.db2.gz SDHTUAQINMOEDK-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298268 773092693 /nfs/dbraw/zinc/09/26/93/773092693.db2.gz SDHTUAQINMOEDK-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147788162 773246193 /nfs/dbraw/zinc/24/61/93/773246193.db2.gz XPWXSIAWOJGOOE-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147788162 773246195 /nfs/dbraw/zinc/24/61/95/773246195.db2.gz XPWXSIAWOJGOOE-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001147788162 773246200 /nfs/dbraw/zinc/24/62/00/773246200.db2.gz XPWXSIAWOJGOOE-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091986064 773900925 /nfs/dbraw/zinc/90/09/25/773900925.db2.gz TWYIFOAPSRCLIZ-NUJGCVRESA-N 2 1 305.466 1.376 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092913457 774301043 /nfs/dbraw/zinc/30/10/43/774301043.db2.gz KBNOBZYGKRMXRC-FVQBIDKESA-N 2 1 314.433 1.071 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092913457 774301052 /nfs/dbraw/zinc/30/10/52/774301052.db2.gz KBNOBZYGKRMXRC-FVQBIDKESA-N 2 1 314.433 1.071 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093025045 774356258 /nfs/dbraw/zinc/35/62/58/774356258.db2.gz NTYUHCPLJPMBNG-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093025045 774356266 /nfs/dbraw/zinc/35/62/66/774356266.db2.gz NTYUHCPLJPMBNG-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001093025045 774356272 /nfs/dbraw/zinc/35/62/72/774356272.db2.gz NTYUHCPLJPMBNG-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036735136 774429206 /nfs/dbraw/zinc/42/92/06/774429206.db2.gz FAFZJYACOOPZCV-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989877 775532865 /nfs/dbraw/zinc/53/28/65/775532865.db2.gz UZGSEZHZRJTMNF-JKSUJKDBSA-N 2 1 313.486 1.460 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001101035843 776843675 /nfs/dbraw/zinc/84/36/75/776843675.db2.gz BDBNSIFWZCUIAT-JCYILVPMSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257624 777016258 /nfs/dbraw/zinc/01/62/58/777016258.db2.gz DGZSZLKCZHLHKJ-NUJGCVRESA-N 2 1 323.456 1.470 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563519 778183228 /nfs/dbraw/zinc/18/32/28/778183228.db2.gz FLQCMQPJWYXLBC-ZIAGYGMSSA-N 2 1 301.862 1.955 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600650 778233923 /nfs/dbraw/zinc/23/39/23/778233923.db2.gz ONNNXUBBMVWXEN-HZPDHXFCSA-N 2 1 311.470 1.213 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600650 778233929 /nfs/dbraw/zinc/23/39/29/778233929.db2.gz ONNNXUBBMVWXEN-HZPDHXFCSA-N 2 1 311.470 1.213 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600650 778233936 /nfs/dbraw/zinc/23/39/36/778233936.db2.gz ONNNXUBBMVWXEN-HZPDHXFCSA-N 2 1 311.470 1.213 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001177139633 778458587 /nfs/dbraw/zinc/45/85/87/778458587.db2.gz SLDBQUIYWKFWBQ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001177139633 778458594 /nfs/dbraw/zinc/45/85/94/778458594.db2.gz SLDBQUIYWKFWBQ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177139633 778458597 /nfs/dbraw/zinc/45/85/97/778458597.db2.gz SLDBQUIYWKFWBQ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177139633 778458600 /nfs/dbraw/zinc/45/86/00/778458600.db2.gz SLDBQUIYWKFWBQ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001102987701 778531366 /nfs/dbraw/zinc/53/13/66/778531366.db2.gz NSLJWLIMMZXPDU-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138721 778661531 /nfs/dbraw/zinc/66/15/31/778661531.db2.gz ZKIBOGLNYOSDNZ-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138721 778661536 /nfs/dbraw/zinc/66/15/36/778661536.db2.gz ZKIBOGLNYOSDNZ-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103138721 778661540 /nfs/dbraw/zinc/66/15/40/778661540.db2.gz ZKIBOGLNYOSDNZ-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103138721 778661542 /nfs/dbraw/zinc/66/15/42/778661542.db2.gz ZKIBOGLNYOSDNZ-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001178722872 779139023 /nfs/dbraw/zinc/13/90/23/779139023.db2.gz RUKUSEPDCGKHLG-INIZCTEOSA-N 2 1 311.445 1.710 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCF ZINC001178722872 779139029 /nfs/dbraw/zinc/13/90/29/779139029.db2.gz RUKUSEPDCGKHLG-INIZCTEOSA-N 2 1 311.445 1.710 20 30 DDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999984 779233628 /nfs/dbraw/zinc/23/36/28/779233628.db2.gz QSPUMPUCLJBGKW-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179539247 779412585 /nfs/dbraw/zinc/41/25/85/779412585.db2.gz SIMANECOMMYQCL-LXZKKBNFSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359975 779736492 /nfs/dbraw/zinc/73/64/92/779736492.db2.gz WUUIBFZURJPTMD-NTDBWNAOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCO[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC001116542005 780520602 /nfs/dbraw/zinc/52/06/02/780520602.db2.gz OQFCAFBKUOXNOB-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCO[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC001116542005 780520607 /nfs/dbraw/zinc/52/06/07/780520607.db2.gz OQFCAFBKUOXNOB-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001271790139 844111241 /nfs/dbraw/zinc/11/12/41/844111241.db2.gz GMJAOJGEPWUZPW-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001271790139 844111243 /nfs/dbraw/zinc/11/12/43/844111243.db2.gz GMJAOJGEPWUZPW-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001271790139 844111246 /nfs/dbraw/zinc/11/12/46/844111246.db2.gz GMJAOJGEPWUZPW-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373887 836185686 /nfs/dbraw/zinc/18/56/86/836185686.db2.gz NSBPHJASPRQSSA-INIZCTEOSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266452746 836275616 /nfs/dbraw/zinc/27/56/16/836275616.db2.gz QLSWVSALEPDIAS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266452746 836275628 /nfs/dbraw/zinc/27/56/28/836275628.db2.gz QLSWVSALEPDIAS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266452746 836275635 /nfs/dbraw/zinc/27/56/35/836275635.db2.gz QLSWVSALEPDIAS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266452746 836275644 /nfs/dbraw/zinc/27/56/44/836275644.db2.gz QLSWVSALEPDIAS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001266550961 836455732 /nfs/dbraw/zinc/45/57/32/836455732.db2.gz IGTQXCSSPVMPDJ-KRWDZBQOSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266879065 836988602 /nfs/dbraw/zinc/98/86/02/836988602.db2.gz OCSNAYQQPUZTNJ-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccsc1 ZINC001266947844 837098153 /nfs/dbraw/zinc/09/81/53/837098153.db2.gz BUCNYMDIMDZBAL-HIFRSBDPSA-N 2 1 305.447 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccsc1 ZINC001266947844 837098159 /nfs/dbraw/zinc/09/81/59/837098159.db2.gz BUCNYMDIMDZBAL-HIFRSBDPSA-N 2 1 305.447 1.440 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CCC[N@H+](C)C2)CC1 ZINC001271954640 844235675 /nfs/dbraw/zinc/23/56/75/844235675.db2.gz XRNTYGGMTWPZSF-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267548137 838286413 /nfs/dbraw/zinc/28/64/13/838286413.db2.gz ZFIGQCPHGPTTJP-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267548137 838286421 /nfs/dbraw/zinc/28/64/21/838286421.db2.gz ZFIGQCPHGPTTJP-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267548137 838286426 /nfs/dbraw/zinc/28/64/26/838286426.db2.gz ZFIGQCPHGPTTJP-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267559099 838306188 /nfs/dbraw/zinc/30/61/88/838306188.db2.gz NIXFXDKHGQWJSC-WBVHZDCISA-N 2 1 303.450 1.180 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267605013 838425163 /nfs/dbraw/zinc/42/51/63/838425163.db2.gz JURASZUVGCOSTF-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267605013 838425166 /nfs/dbraw/zinc/42/51/66/838425166.db2.gz JURASZUVGCOSTF-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267605013 838425170 /nfs/dbraw/zinc/42/51/70/838425170.db2.gz JURASZUVGCOSTF-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267823880 839035414 /nfs/dbraw/zinc/03/54/14/839035414.db2.gz RCAVHCCSLULNLR-OAHLLOKOSA-N 2 1 311.389 1.389 20 30 DDEDMP C#CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001268748382 840746124 /nfs/dbraw/zinc/74/61/24/840746124.db2.gz YMHBHYAPIUJXJX-INIZCTEOSA-N 2 1 301.434 1.231 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001269333213 841530366 /nfs/dbraw/zinc/53/03/66/841530366.db2.gz UIVDMJFVSWGSDR-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001270295706 842464027 /nfs/dbraw/zinc/46/40/27/842464027.db2.gz FRRKICRTFAFTLK-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001271151845 843307744 /nfs/dbraw/zinc/30/77/44/843307744.db2.gz HHUIWUFQEIEZQQ-MRXNPFEDSA-N 2 1 323.462 1.162 20 30 DDEDMP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001272675420 846571764 /nfs/dbraw/zinc/57/17/64/846571764.db2.gz KRZJXERVJGCFDS-GOSISDBHSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001272675420 846571773 /nfs/dbraw/zinc/57/17/73/846571773.db2.gz KRZJXERVJGCFDS-GOSISDBHSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CCC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001272675420 846571785 /nfs/dbraw/zinc/57/17/85/846571785.db2.gz KRZJXERVJGCFDS-GOSISDBHSA-N 2 1 313.445 1.852 20 30 DDEDMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001272870390 847572201 /nfs/dbraw/zinc/57/22/01/847572201.db2.gz ONGXQPWDDVDAEV-HZPDHXFCSA-N 2 1 320.481 1.943 20 30 DDEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001328879784 863307296 /nfs/dbraw/zinc/30/72/96/863307296.db2.gz MAFZVGUQCFUSLO-JCYILVPMSA-N 2 1 305.466 1.615 20 30 DDEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)C1 ZINC001272976754 847730356 /nfs/dbraw/zinc/73/03/56/847730356.db2.gz HOVVNTDYIGDTIV-SJORKVTESA-N 2 1 323.481 1.243 20 30 DDEDMP C=C(C)CN1C[C@@]2(F)C[N@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273031085 847814392 /nfs/dbraw/zinc/81/43/92/847814392.db2.gz RAGSBYASHXMIDT-JKSUJKDBSA-N 2 1 313.392 1.137 20 30 DDEDMP C=C(C)CN1C[C@@]2(F)C[N@@H+](CC3CC[NH2+]CC3)C[C@@]2(F)C1=O ZINC001273031085 847814396 /nfs/dbraw/zinc/81/43/96/847814396.db2.gz RAGSBYASHXMIDT-JKSUJKDBSA-N 2 1 313.392 1.137 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034211857 848119139 /nfs/dbraw/zinc/11/91/39/848119139.db2.gz PEDWMKUXSORKTG-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034240094 848169787 /nfs/dbraw/zinc/16/97/87/848169787.db2.gz OQOQCKBTSPJPFG-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034240094 848169793 /nfs/dbraw/zinc/16/97/93/848169793.db2.gz OQOQCKBTSPJPFG-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034240094 848169800 /nfs/dbraw/zinc/16/98/00/848169800.db2.gz OQOQCKBTSPJPFG-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001273475829 851002209 /nfs/dbraw/zinc/00/22/09/851002209.db2.gz UEDRUEWBBALZSI-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001273475829 851002219 /nfs/dbraw/zinc/00/22/19/851002219.db2.gz UEDRUEWBBALZSI-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274621841 852454324 /nfs/dbraw/zinc/45/43/24/852454324.db2.gz XZPRQFRVDRXWOJ-WMZOPIPTSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001275159464 852847356 /nfs/dbraw/zinc/84/73/56/852847356.db2.gz CZBFHYFLKJDCQD-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001275159464 852847359 /nfs/dbraw/zinc/84/73/59/852847359.db2.gz CZBFHYFLKJDCQD-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001275159464 852847361 /nfs/dbraw/zinc/84/73/61/852847361.db2.gz CZBFHYFLKJDCQD-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001280710295 853122658 /nfs/dbraw/zinc/12/26/58/853122658.db2.gz QRGZJSWIQBCEKS-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001280710295 853122669 /nfs/dbraw/zinc/12/26/69/853122669.db2.gz QRGZJSWIQBCEKS-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001280710295 853122675 /nfs/dbraw/zinc/12/26/75/853122675.db2.gz QRGZJSWIQBCEKS-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C[NH+](C)C1(CNc2[nH]ccc3ncc(C#N)c2-3)CC[NH+](C)CC1 ZINC001156185079 862789187 /nfs/dbraw/zinc/78/91/87/862789187.db2.gz LXAPDUVJNXBOJU-UHFFFAOYSA-N 2 1 312.421 1.872 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299584 862919989 /nfs/dbraw/zinc/91/99/89/862919989.db2.gz VCYBPCKKOHCSRE-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847655 857794192 /nfs/dbraw/zinc/79/41/92/857794192.db2.gz UWHCEYFZEASULX-UHFFFAOYSA-N 2 1 317.477 1.973 20 30 DDEDMP CC#CCN1CCOC2(CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001328492167 863005852 /nfs/dbraw/zinc/00/58/52/863005852.db2.gz OHSGIXMCXNJUEU-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454089 858349111 /nfs/dbraw/zinc/34/91/11/858349111.db2.gz FWIYULQWXJUQAS-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454089 858349119 /nfs/dbraw/zinc/34/91/19/858349119.db2.gz FWIYULQWXJUQAS-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454089 858349129 /nfs/dbraw/zinc/34/91/29/858349129.db2.gz FWIYULQWXJUQAS-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599584 858472819 /nfs/dbraw/zinc/47/28/19/858472819.db2.gz INMDEXFFIBCVBI-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599584 858472825 /nfs/dbraw/zinc/47/28/25/858472825.db2.gz INMDEXFFIBCVBI-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599584 858472829 /nfs/dbraw/zinc/47/28/29/858472829.db2.gz INMDEXFFIBCVBI-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001224583003 881459660 /nfs/dbraw/zinc/45/96/60/881459660.db2.gz HLBKZMDVVRWBRG-AWEZNQCLSA-N 2 1 301.862 1.907 20 30 DDEDMP C#C[C@H]1CCC[N@H+](Cc2cnc(N3CCN(C)CC3)s2)C1 ZINC001139323804 860363261 /nfs/dbraw/zinc/36/32/61/860363261.db2.gz SSUHZHKYLYDVLE-AWEZNQCLSA-N 2 1 304.463 1.740 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154385479 861063131 /nfs/dbraw/zinc/06/31/31/861063131.db2.gz LCBXQGQGRXPTCH-JBCIKUTRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154385479 861063145 /nfs/dbraw/zinc/06/31/45/861063145.db2.gz LCBXQGQGRXPTCH-JBCIKUTRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154385479 861063157 /nfs/dbraw/zinc/06/31/57/861063157.db2.gz LCBXQGQGRXPTCH-JBCIKUTRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153424267 863882744 /nfs/dbraw/zinc/88/27/44/863882744.db2.gz GQPAAPPJMBFQHE-CQSZACIVSA-N 2 1 307.442 1.071 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814769 864128072 /nfs/dbraw/zinc/12/80/72/864128072.db2.gz XNVLLEGBUYQYLE-SJORKVTESA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153814769 864128077 /nfs/dbraw/zinc/12/80/77/864128077.db2.gz XNVLLEGBUYQYLE-SJORKVTESA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814769 864128084 /nfs/dbraw/zinc/12/80/84/864128084.db2.gz XNVLLEGBUYQYLE-SJORKVTESA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157964388 864312901 /nfs/dbraw/zinc/31/29/01/864312901.db2.gz AGVRWMFBSIHTLL-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097699 864425546 /nfs/dbraw/zinc/42/55/46/864425546.db2.gz CXLYTXBSOQJMTC-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751516 864880075 /nfs/dbraw/zinc/88/00/75/864880075.db2.gz VQUXNLJSHYPOCH-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751516 864880078 /nfs/dbraw/zinc/88/00/78/864880078.db2.gz VQUXNLJSHYPOCH-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751516 864880083 /nfs/dbraw/zinc/88/00/83/864880083.db2.gz VQUXNLJSHYPOCH-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001159627884 865440652 /nfs/dbraw/zinc/44/06/52/865440652.db2.gz BHSCQJIQYBGNAH-OAHLLOKOSA-N 2 1 311.857 1.972 20 30 DDEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159627884 865440661 /nfs/dbraw/zinc/44/06/61/865440661.db2.gz BHSCQJIQYBGNAH-OAHLLOKOSA-N 2 1 311.857 1.972 20 30 DDEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159627884 865440671 /nfs/dbraw/zinc/44/06/71/865440671.db2.gz BHSCQJIQYBGNAH-OAHLLOKOSA-N 2 1 311.857 1.972 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159627884 865440679 /nfs/dbraw/zinc/44/06/79/865440679.db2.gz BHSCQJIQYBGNAH-OAHLLOKOSA-N 2 1 311.857 1.972 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCCC)CC2)C1 ZINC001332011646 865501576 /nfs/dbraw/zinc/50/15/76/865501576.db2.gz HGDAKZRRWIIWAO-QGZVFWFLSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCCC)CC2)C1 ZINC001332011646 865501580 /nfs/dbraw/zinc/50/15/80/865501580.db2.gz HGDAKZRRWIIWAO-QGZVFWFLSA-N 2 1 320.481 1.648 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001160196673 865722100 /nfs/dbraw/zinc/72/21/00/865722100.db2.gz XGJJPLYRXHFCFF-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001160196673 865722107 /nfs/dbraw/zinc/72/21/07/865722107.db2.gz XGJJPLYRXHFCFF-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001160196673 865722115 /nfs/dbraw/zinc/72/21/15/865722115.db2.gz XGJJPLYRXHFCFF-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1csc(C)n1 ZINC001160209173 865731609 /nfs/dbraw/zinc/73/16/09/865731609.db2.gz BMPFOZFNVPOGJO-HNNXBMFYSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1csc(C)n1 ZINC001160209173 865731615 /nfs/dbraw/zinc/73/16/15/865731615.db2.gz BMPFOZFNVPOGJO-HNNXBMFYSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CCC[N@H+](C)CCN(C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001332732878 866104905 /nfs/dbraw/zinc/10/49/05/866104905.db2.gz SPNJULYBLFRQBF-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332901062 866234153 /nfs/dbraw/zinc/23/41/53/866234153.db2.gz XHPUWZAUVXBOKX-HUUCEWRRSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332901062 866234170 /nfs/dbraw/zinc/23/41/70/866234170.db2.gz XHPUWZAUVXBOKX-HUUCEWRRSA-N 2 1 311.470 1.404 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001323049444 866296059 /nfs/dbraw/zinc/29/60/59/866296059.db2.gz YHBKNFZBZAZRJM-DLBZAZTESA-N 2 1 305.466 1.616 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161208018 866441975 /nfs/dbraw/zinc/44/19/75/866441975.db2.gz YHQSKYRFMDZROA-WBVHZDCISA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161208018 866441976 /nfs/dbraw/zinc/44/19/76/866441976.db2.gz YHQSKYRFMDZROA-WBVHZDCISA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161208018 866441978 /nfs/dbraw/zinc/44/19/78/866441978.db2.gz YHQSKYRFMDZROA-WBVHZDCISA-N 2 1 303.450 1.346 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161863096 867044273 /nfs/dbraw/zinc/04/42/73/867044273.db2.gz MVPHUNDGLBUYQB-QGZVFWFLSA-N 2 1 321.465 1.279 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161863096 867044280 /nfs/dbraw/zinc/04/42/80/867044280.db2.gz MVPHUNDGLBUYQB-QGZVFWFLSA-N 2 1 321.465 1.279 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161863096 867044294 /nfs/dbraw/zinc/04/42/94/867044294.db2.gz MVPHUNDGLBUYQB-QGZVFWFLSA-N 2 1 321.465 1.279 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCF)CC2)CC1 ZINC001161946984 867128432 /nfs/dbraw/zinc/12/84/32/867128432.db2.gz PCIRWFIUOUPYKB-UHFFFAOYSA-N 2 1 321.440 1.440 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)(COC)CC1 ZINC001162569654 867648530 /nfs/dbraw/zinc/64/85/30/867648530.db2.gz WDLYBOWIMUGCIT-UHFFFAOYSA-N 2 1 311.470 1.359 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2nccs2)CC1 ZINC001321755195 867775109 /nfs/dbraw/zinc/77/51/09/867775109.db2.gz ADOJMUCNUOPNBC-CYBMUJFWSA-N 2 1 320.462 1.083 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165332252 869522544 /nfs/dbraw/zinc/52/25/44/869522544.db2.gz FYSHIXVYVHDLEA-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1 ZINC001165545078 869636014 /nfs/dbraw/zinc/63/60/14/869636014.db2.gz BPJAVWYNDDHXCN-CVEARBPZSA-N 2 1 323.456 1.708 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC[C@@H](C)F)CC1 ZINC001165545078 869636020 /nfs/dbraw/zinc/63/60/20/869636020.db2.gz BPJAVWYNDDHXCN-CVEARBPZSA-N 2 1 323.456 1.708 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001165569484 869642753 /nfs/dbraw/zinc/64/27/53/869642753.db2.gz ZQRQMLSIJDNMSC-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001166668302 870142566 /nfs/dbraw/zinc/14/25/66/870142566.db2.gz YKHKQRQUSGYJGN-OAHLLOKOSA-N 2 1 314.433 1.496 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707002 870177436 /nfs/dbraw/zinc/17/74/36/870177436.db2.gz CAYLVTVKCKSNHC-HNNXBMFYSA-N 2 1 304.438 1.816 20 30 DDEDMP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317545952 871039110 /nfs/dbraw/zinc/03/91/10/871039110.db2.gz MNTICQFIMPGILE-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317545952 871039124 /nfs/dbraw/zinc/03/91/24/871039124.db2.gz MNTICQFIMPGILE-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205285297 871484450 /nfs/dbraw/zinc/48/44/50/871484450.db2.gz VTWWQZFHXGSZIB-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CCCn2ccnc2C)C1 ZINC001317806016 871530168 /nfs/dbraw/zinc/53/01/68/871530168.db2.gz PPQQGSJCIBWZGF-INIZCTEOSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317806016 871530190 /nfs/dbraw/zinc/53/01/90/871530190.db2.gz PPQQGSJCIBWZGF-INIZCTEOSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317806016 871530210 /nfs/dbraw/zinc/53/02/10/871530210.db2.gz PPQQGSJCIBWZGF-INIZCTEOSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001316724686 871981990 /nfs/dbraw/zinc/98/19/90/871981990.db2.gz VOGJZFMEHWZCLJ-NXHRZFHOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001316724686 871981995 /nfs/dbraw/zinc/98/19/95/871981995.db2.gz VOGJZFMEHWZCLJ-NXHRZFHOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001316724686 871982007 /nfs/dbraw/zinc/98/20/07/871982007.db2.gz VOGJZFMEHWZCLJ-NXHRZFHOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206068173 872031757 /nfs/dbraw/zinc/03/17/57/872031757.db2.gz POOWYAQPTNPKAK-INIZCTEOSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001318493101 872113034 /nfs/dbraw/zinc/11/30/34/872113034.db2.gz WNYJOLKBRDTJLZ-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001318493101 872113052 /nfs/dbraw/zinc/11/30/52/872113052.db2.gz WNYJOLKBRDTJLZ-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001318493101 872113065 /nfs/dbraw/zinc/11/30/65/872113065.db2.gz WNYJOLKBRDTJLZ-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001206274879 872176356 /nfs/dbraw/zinc/17/63/56/872176356.db2.gz MOKIAUCYCRAEQO-CYBMUJFWSA-N 2 1 313.873 1.909 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001318803510 872279307 /nfs/dbraw/zinc/27/93/07/872279307.db2.gz GDSBGFGNTVZZBG-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001319535172 872676761 /nfs/dbraw/zinc/67/67/61/872676761.db2.gz VYMVKXRCPLBDOM-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)CC(C)C ZINC001319619600 872721387 /nfs/dbraw/zinc/72/13/87/872721387.db2.gz LYFUNQQOKMKYET-IRXDYDNUSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)CC(C)C ZINC001319619600 872721394 /nfs/dbraw/zinc/72/13/94/872721394.db2.gz LYFUNQQOKMKYET-IRXDYDNUSA-N 2 1 305.466 1.615 20 30 DDEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207393589 873228435 /nfs/dbraw/zinc/22/84/35/873228435.db2.gz CXCHMVGEWWXDAK-INIZCTEOSA-N 2 1 319.453 1.259 20 30 DDEDMP C=CCOC[C@H]1c2nnn(C)c2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207393589 873228452 /nfs/dbraw/zinc/22/84/52/873228452.db2.gz CXCHMVGEWWXDAK-INIZCTEOSA-N 2 1 319.453 1.259 20 30 DDEDMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001346136842 873619856 /nfs/dbraw/zinc/61/98/56/873619856.db2.gz QZGAXURAQJVMAQ-OAHLLOKOSA-N 2 1 320.437 1.667 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423729 874131379 /nfs/dbraw/zinc/13/13/79/874131379.db2.gz OARPOXHOJZCJDT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001276656195 874997042 /nfs/dbraw/zinc/99/70/42/874997042.db2.gz LOCJAFWVVBVCJM-NVXWUHKLSA-N 2 1 314.433 1.262 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001276669365 875108481 /nfs/dbraw/zinc/10/84/81/875108481.db2.gz FMIVSUYRGHYDQL-PHZGNYQRSA-N 2 1 305.466 1.731 20 30 DDEDMP N#Cc1cccc2c1c(N)nn2-c1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262339 875293597 /nfs/dbraw/zinc/29/35/97/875293597.db2.gz BCKTVHDPYHWLPZ-UHFFFAOYSA-N 2 1 319.372 1.284 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376167 875779645 /nfs/dbraw/zinc/77/96/45/875779645.db2.gz HTAPJKKFMKLOLO-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376167 875779652 /nfs/dbraw/zinc/77/96/52/875779652.db2.gz HTAPJKKFMKLOLO-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950776 876519011 /nfs/dbraw/zinc/51/90/11/876519011.db2.gz XUTTYQQWARFWOG-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950776 876519017 /nfs/dbraw/zinc/51/90/17/876519017.db2.gz XUTTYQQWARFWOG-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392727 876694674 /nfs/dbraw/zinc/69/46/74/876694674.db2.gz AWBQSRYRBDAFAW-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392727 876694678 /nfs/dbraw/zinc/69/46/78/876694678.db2.gz AWBQSRYRBDAFAW-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215938579 876827306 /nfs/dbraw/zinc/82/73/06/876827306.db2.gz FWAQBGDDCKWPSQ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C[Si](C)(C)C#Cc1cccc(NC(=O)C[NH2+]CCC[NH3+])c1 ZINC001219310375 878107697 /nfs/dbraw/zinc/10/76/97/878107697.db2.gz AQIPIBBLJZZXCV-UHFFFAOYSA-N 2 1 303.482 1.792 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220345270 878939331 /nfs/dbraw/zinc/93/93/31/878939331.db2.gz TZPPAPKERMTAIT-PMPSAXMXSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369448 878953139 /nfs/dbraw/zinc/95/31/39/878953139.db2.gz JWAGRJFXUXETKH-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369448 878953144 /nfs/dbraw/zinc/95/31/44/878953144.db2.gz JWAGRJFXUXETKH-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220369448 878953165 /nfs/dbraw/zinc/95/31/65/878953165.db2.gz JWAGRJFXUXETKH-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584741 879113357 /nfs/dbraw/zinc/11/33/57/879113357.db2.gz HRVMCKLOQKDYMZ-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979718 879424305 /nfs/dbraw/zinc/42/43/05/879424305.db2.gz SGQRRWXEOSEDHI-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979718 879424314 /nfs/dbraw/zinc/42/43/14/879424314.db2.gz SGQRRWXEOSEDHI-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C[N@H+]1CCC[C@@](C)(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001221241404 879607711 /nfs/dbraw/zinc/60/77/11/879607711.db2.gz UYFQOBSPOZYGJS-DOTOQJQBSA-N 2 1 300.406 1.029 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221646781 879985327 /nfs/dbraw/zinc/98/53/27/879985327.db2.gz LFLUJYFHKUOTTD-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221646781 879985339 /nfs/dbraw/zinc/98/53/39/879985339.db2.gz LFLUJYFHKUOTTD-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221646781 879985349 /nfs/dbraw/zinc/98/53/49/879985349.db2.gz LFLUJYFHKUOTTD-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772434 880068215 /nfs/dbraw/zinc/06/82/15/880068215.db2.gz ZOGDSXISIYAKBX-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001224139804 881239984 /nfs/dbraw/zinc/23/99/84/881239984.db2.gz CMOGJEHHCXMRDL-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC[NH+]1CCOCC1 ZINC001229115108 883827817 /nfs/dbraw/zinc/82/78/17/883827817.db2.gz HUBZIFWGIBQPOU-IAGOWNOFSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142000 883842824 /nfs/dbraw/zinc/84/28/24/883842824.db2.gz OFOXSIXPSVKGNO-HZPDHXFCSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001278168872 889959050 /nfs/dbraw/zinc/95/90/50/889959050.db2.gz IKIGTJVMVVKZIX-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCCCCCC[C@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246035085 892369337 /nfs/dbraw/zinc/36/93/37/892369337.db2.gz ZAKOXMRPOVMPJX-KRWDZBQOSA-N 2 1 309.498 1.901 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001246302777 892526777 /nfs/dbraw/zinc/52/67/77/892526777.db2.gz FQWCOGLYRAALBB-MCIONIFRSA-N 2 1 312.410 1.145 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(COC2)CC1 ZINC001246305939 892528438 /nfs/dbraw/zinc/52/84/38/892528438.db2.gz SFRCFPACAGVJOB-HNNXBMFYSA-N 2 1 310.438 1.762 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001366169550 892636535 /nfs/dbraw/zinc/63/65/35/892636535.db2.gz VLSJDYPWEDQMIZ-CALCHBBNSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366345811 893249040 /nfs/dbraw/zinc/24/90/40/893249040.db2.gz MCRCZZSSSUYSRA-RYUDHWBXSA-N 2 1 318.259 1.331 20 30 DDEDMP C=C[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001253609876 895928598 /nfs/dbraw/zinc/92/85/98/895928598.db2.gz ZZEXYBUNRPDTSQ-QGZVFWFLSA-N 2 1 304.434 1.839 20 30 DDEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278782195 896425851 /nfs/dbraw/zinc/42/58/51/896425851.db2.gz SPXQCYWFOARFCG-PBHICJAKSA-N 2 1 320.437 1.136 20 30 DDEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278782195 896425859 /nfs/dbraw/zinc/42/58/59/896425859.db2.gz SPXQCYWFOARFCG-PBHICJAKSA-N 2 1 320.437 1.136 20 30 DDEDMP COCC[N@H+]1CCO[C@@H]2C[NH+](C3CCC(C#N)CC3)CC[C@@H]2C1 ZINC001256967455 897647788 /nfs/dbraw/zinc/64/77/88/897647788.db2.gz BDIIHGAMWPSYFK-GPQLOAJWSA-N 2 1 321.465 1.738 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(C#N)CC3)CC[C@@H]2C1 ZINC001256967455 897647792 /nfs/dbraw/zinc/64/77/92/897647792.db2.gz BDIIHGAMWPSYFK-GPQLOAJWSA-N 2 1 321.465 1.738 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@H+](C3CCC(C#N)CC3)CC[C@@H]2C1 ZINC001256967455 897647802 /nfs/dbraw/zinc/64/78/02/897647802.db2.gz BDIIHGAMWPSYFK-GPQLOAJWSA-N 2 1 321.465 1.738 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374872134 914193524 /nfs/dbraw/zinc/19/35/24/914193524.db2.gz FRBJJNMOKFMCSI-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001263728594 900686991 /nfs/dbraw/zinc/68/69/91/900686991.db2.gz WTVHORLPCXRZET-UXLLHSPISA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265560625 902134265 /nfs/dbraw/zinc/13/42/65/902134265.db2.gz XRLORPRXVMQQIM-IXDOHACOSA-N 2 1 323.481 1.689 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001265707678 902326701 /nfs/dbraw/zinc/32/67/01/902326701.db2.gz DMZYDTNEMWBPBY-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP COCC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001279163744 903187563 /nfs/dbraw/zinc/18/75/63/903187563.db2.gz CYYHAVYXNRVWSM-INIZCTEOSA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001279431983 903258445 /nfs/dbraw/zinc/25/84/45/903258445.db2.gz VIEFZMWFUWLYJG-KRWDZBQOSA-N 2 1 322.497 1.217 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001282885270 906155074 /nfs/dbraw/zinc/15/50/74/906155074.db2.gz JSHVWVWMAAWMQB-WCXIOVBPSA-N 2 1 305.466 1.587 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001284599830 909233588 /nfs/dbraw/zinc/23/35/88/909233588.db2.gz WOBSLVOVNAAGKL-GJZGRUSLSA-N 2 1 311.445 1.564 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C(C)(C)C ZINC001284599830 909233598 /nfs/dbraw/zinc/23/35/98/909233598.db2.gz WOBSLVOVNAAGKL-GJZGRUSLSA-N 2 1 311.445 1.564 20 30 DDEDMP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001377182634 920563106 /nfs/dbraw/zinc/56/31/06/920563106.db2.gz YIBGQTDBPLRQGH-HNNXBMFYSA-N 2 1 317.861 1.022 20 30 DDEDMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424137656 529761011 /nfs/dbraw/zinc/76/10/11/529761011.db2.gz CGZFLCCMVVMLGU-KBPBESRZSA-N 2 1 303.410 1.630 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000272722742 210126615 /nfs/dbraw/zinc/12/66/15/210126615.db2.gz JGUMHKNSDXWZDI-CQSZACIVSA-N 2 1 306.454 1.586 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000592495964 355600375 /nfs/dbraw/zinc/60/03/75/355600375.db2.gz ZTXNAUSJKYIEPB-DLBZAZTESA-N 2 1 300.406 1.672 20 30 DDEDMP N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593730247 355978187 /nfs/dbraw/zinc/97/81/87/355978187.db2.gz MOOFYUGZHVSXBK-ZACQAIPSSA-N 2 1 300.406 1.814 20 30 DDEDMP N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000593730247 355978189 /nfs/dbraw/zinc/97/81/89/355978189.db2.gz MOOFYUGZHVSXBK-ZACQAIPSSA-N 2 1 300.406 1.814 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594446966 356220023 /nfs/dbraw/zinc/22/00/23/356220023.db2.gz BUXDSBIOUMTKNU-BYNSBNAKSA-N 2 1 310.442 1.012 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594446966 356220024 /nfs/dbraw/zinc/22/00/24/356220024.db2.gz BUXDSBIOUMTKNU-BYNSBNAKSA-N 2 1 310.442 1.012 20 30 DDEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599303129 357883820 /nfs/dbraw/zinc/88/38/20/357883820.db2.gz MABHZWNKDVPBTP-IAGOWNOFSA-N 2 1 323.481 1.721 20 30 DDEDMP C=CCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000076735411 406973901 /nfs/dbraw/zinc/97/39/01/406973901.db2.gz QWIHIBVFWMKRMK-MRXNPFEDSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000076735411 406973903 /nfs/dbraw/zinc/97/39/03/406973903.db2.gz QWIHIBVFWMKRMK-MRXNPFEDSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000076735411 406973904 /nfs/dbraw/zinc/97/39/04/406973904.db2.gz QWIHIBVFWMKRMK-MRXNPFEDSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004452 407163403 /nfs/dbraw/zinc/16/34/03/407163403.db2.gz DPAWZQRMATXIIR-INIZCTEOSA-N 2 1 316.449 1.875 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004452 407163404 /nfs/dbraw/zinc/16/34/04/407163404.db2.gz DPAWZQRMATXIIR-INIZCTEOSA-N 2 1 316.449 1.875 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000170905423 407550024 /nfs/dbraw/zinc/55/00/24/407550024.db2.gz UEBAYJVOZFZFAK-CYBMUJFWSA-N 2 1 302.422 1.584 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187056448 407814589 /nfs/dbraw/zinc/81/45/89/407814589.db2.gz GGXGKQZIDSUIID-PBHICJAKSA-N 2 1 318.465 1.836 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000294998521 409307806 /nfs/dbraw/zinc/30/78/06/409307806.db2.gz LWUYPCXDKAAMAJ-INIZCTEOSA-N 2 1 301.434 1.973 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000294998521 409307810 /nfs/dbraw/zinc/30/78/10/409307810.db2.gz LWUYPCXDKAAMAJ-INIZCTEOSA-N 2 1 301.434 1.973 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000315218430 409838218 /nfs/dbraw/zinc/83/82/18/409838218.db2.gz JJAQOGIMLLBDTJ-UHFFFAOYSA-N 2 1 306.454 1.699 20 30 DDEDMP C[N@H+](C[C@@H](O)C[NH2+]CCSCc1ccccc1C#N)C1CC1 ZINC000580434875 422932056 /nfs/dbraw/zinc/93/20/56/422932056.db2.gz IQHJXPAPKQIALA-KRWDZBQOSA-N 2 1 319.474 1.836 20 30 DDEDMP C[N@@H+](C[C@@H](O)C[NH2+]CCSCc1ccccc1C#N)C1CC1 ZINC000580434875 422932058 /nfs/dbraw/zinc/93/20/58/422932058.db2.gz IQHJXPAPKQIALA-KRWDZBQOSA-N 2 1 319.474 1.836 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346087 422967102 /nfs/dbraw/zinc/96/71/02/422967102.db2.gz TYEPUQMJHVHRON-BBWFWOEESA-N 2 1 321.465 1.405 20 30 DDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)CCc1cccs1 ZINC000261812736 222258462 /nfs/dbraw/zinc/25/84/62/222258462.db2.gz SSICFXHXEYEELA-AWEZNQCLSA-N 2 1 323.510 1.044 20 30 DDEDMP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1F ZINC000262223966 222273817 /nfs/dbraw/zinc/27/38/17/222273817.db2.gz UTIJVVPORQUVFR-UHFFFAOYSA-N 2 1 305.397 1.636 20 30 DDEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262306714 222275027 /nfs/dbraw/zinc/27/50/27/222275027.db2.gz AQCRFZBNMJBWGM-INIZCTEOSA-N 3 1 307.486 1.216 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262306714 222275028 /nfs/dbraw/zinc/27/50/28/222275028.db2.gz AQCRFZBNMJBWGM-INIZCTEOSA-N 3 1 307.486 1.216 20 30 DDEDMP C[C@H]1CN(C(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000262465075 222281685 /nfs/dbraw/zinc/28/16/85/222281685.db2.gz NNURRVGODLZOPR-UONOGXRCSA-N 2 1 322.478 1.920 20 30 DDEDMP C[NH+]=C(NCCN1CCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262479400 222283403 /nfs/dbraw/zinc/28/34/03/222283403.db2.gz RAVJNPGKJWJRNI-MRXNPFEDSA-N 2 1 307.486 1.218 20 30 DDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1ccco1 ZINC000262824526 222296734 /nfs/dbraw/zinc/29/67/34/222296734.db2.gz XWJJXLCMXMZTIM-HNNXBMFYSA-N 2 1 310.467 1.724 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccsc1)N(C)C ZINC000264068751 222312832 /nfs/dbraw/zinc/31/28/32/222312832.db2.gz CLZUAWMCAQIINO-CABCVRRESA-N 2 1 323.510 1.739 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N(C)C)nc1 ZINC000264073520 222314406 /nfs/dbraw/zinc/31/44/06/222314406.db2.gz DVBJXFVFAYUETB-CQSZACIVSA-N 2 1 304.442 1.036 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264093228 222317208 /nfs/dbraw/zinc/31/72/08/222317208.db2.gz LIKYEIVADDWAOL-HNNXBMFYSA-N 2 1 304.438 1.417 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000364395596 418776165 /nfs/dbraw/zinc/77/61/65/418776165.db2.gz XLQRSXTZHQEJPG-INIZCTEOSA-N 2 1 301.438 1.984 20 30 DDEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000429686344 420038948 /nfs/dbraw/zinc/03/89/48/420038948.db2.gz RUYOAVCSKXKZNY-UHFFFAOYSA-N 2 1 301.434 1.839 20 30 DDEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000429686344 420038952 /nfs/dbraw/zinc/03/89/52/420038952.db2.gz RUYOAVCSKXKZNY-UHFFFAOYSA-N 2 1 301.434 1.839 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000491526484 421198614 /nfs/dbraw/zinc/19/86/14/421198614.db2.gz ZNNLMFVUOPZOBT-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C#N)c2)CC1 ZINC000516624131 421556774 /nfs/dbraw/zinc/55/67/74/421556774.db2.gz APBMGEDCAYXGCG-UHFFFAOYSA-N 2 1 321.384 1.957 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000635532090 422082169 /nfs/dbraw/zinc/08/21/69/422082169.db2.gz YYAITPKARMOBNH-JKSUJKDBSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000491461322 275380440 /nfs/dbraw/zinc/38/04/40/275380440.db2.gz CTTXUZBPWKSSIX-IAGOWNOFSA-N 2 1 320.481 1.505 20 30 DDEDMP COC[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1COC ZINC000452038189 277265901 /nfs/dbraw/zinc/26/59/01/277265901.db2.gz LXSKEEBOUSQQRV-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP COC[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1COC ZINC000452038189 277265902 /nfs/dbraw/zinc/26/59/02/277265902.db2.gz LXSKEEBOUSQQRV-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP COC[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1COC ZINC000452038189 277265903 /nfs/dbraw/zinc/26/59/03/277265903.db2.gz LXSKEEBOUSQQRV-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)N1CCOCC1 ZINC000262536027 303219429 /nfs/dbraw/zinc/21/94/29/303219429.db2.gz PUOZCMPAFATQCZ-MRXNPFEDSA-N 2 1 308.470 1.678 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000417539761 526587301 /nfs/dbraw/zinc/58/73/01/526587301.db2.gz OOCWFQQZOXWNBR-MRXNPFEDSA-N 2 1 312.433 1.370 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341095113 526594457 /nfs/dbraw/zinc/59/44/57/526594457.db2.gz UFTOXHSXCPTZKG-GOEBONIOSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000491710004 526810385 /nfs/dbraw/zinc/81/03/85/526810385.db2.gz RPYRCWRLEIMYKO-UHFFFAOYSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000491710004 526810390 /nfs/dbraw/zinc/81/03/90/526810390.db2.gz RPYRCWRLEIMYKO-UHFFFAOYSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000491710004 526810396 /nfs/dbraw/zinc/81/03/96/526810396.db2.gz RPYRCWRLEIMYKO-UHFFFAOYSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000491650614 526815883 /nfs/dbraw/zinc/81/58/83/526815883.db2.gz ARACCERPMAPOJX-UHFFFAOYSA-N 2 1 308.470 1.553 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000490741553 526916761 /nfs/dbraw/zinc/91/67/61/526916761.db2.gz SONDPJYPMJKDTO-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491167133 526987493 /nfs/dbraw/zinc/98/74/93/526987493.db2.gz WHHHFMYJCOUBIV-SJLPKXTDSA-N 2 1 313.445 1.626 20 30 DDEDMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329891788 528997032 /nfs/dbraw/zinc/99/70/32/528997032.db2.gz IJSLUZCWDBXFLN-LSDHHAIUSA-N 2 1 319.453 1.824 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329891788 528997039 /nfs/dbraw/zinc/99/70/39/528997039.db2.gz IJSLUZCWDBXFLN-LSDHHAIUSA-N 2 1 319.453 1.824 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972006390 695138001 /nfs/dbraw/zinc/13/80/01/695138001.db2.gz SFIASYDAUYJUGS-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972340970 695221669 /nfs/dbraw/zinc/22/16/69/695221669.db2.gz XMPSYTDROPFEGS-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978278661 696356823 /nfs/dbraw/zinc/35/68/23/696356823.db2.gz VJUWANVXMJPLLH-JONQDZQNSA-N 2 1 314.433 1.631 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978278661 696356824 /nfs/dbraw/zinc/35/68/24/696356824.db2.gz VJUWANVXMJPLLH-JONQDZQNSA-N 2 1 314.433 1.631 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772648 696910445 /nfs/dbraw/zinc/91/04/45/696910445.db2.gz YRAFUEPUWWEVQF-INIZCTEOSA-N 2 1 303.450 1.439 20 30 DDEDMP Cc1cccc(C)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000153321616 696913353 /nfs/dbraw/zinc/91/33/53/696913353.db2.gz CKGPXMMRXRNAKB-UHFFFAOYSA-N 2 1 304.438 1.430 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981809994 696925582 /nfs/dbraw/zinc/92/55/82/696925582.db2.gz JYDLOUGMOGIJOM-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCCF)C2 ZINC000981819041 696930261 /nfs/dbraw/zinc/93/02/61/696930261.db2.gz KZVHGBPARMSGAG-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCCF)C2 ZINC000981819041 696930262 /nfs/dbraw/zinc/93/02/62/696930262.db2.gz KZVHGBPARMSGAG-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCF)C2 ZINC000981819041 696930264 /nfs/dbraw/zinc/93/02/64/696930264.db2.gz KZVHGBPARMSGAG-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCF)C2 ZINC000981819041 696930266 /nfs/dbraw/zinc/93/02/66/696930266.db2.gz KZVHGBPARMSGAG-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981915150 696967530 /nfs/dbraw/zinc/96/75/30/696967530.db2.gz WUOYNKGQOXAPEM-QGZVFWFLSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981366192 697076724 /nfs/dbraw/zinc/07/67/24/697076724.db2.gz XSINVRLLWOKECK-GJZGRUSLSA-N 2 1 302.422 1.657 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981446353 697099892 /nfs/dbraw/zinc/09/98/92/697099892.db2.gz DPGNILHFXJFGSX-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000981483048 697107972 /nfs/dbraw/zinc/10/79/72/697107972.db2.gz DEISVZPFNDRBGU-HNNXBMFYSA-N 2 1 302.422 1.556 20 30 DDEDMP C=C(C)CN1CCCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000981483048 697107975 /nfs/dbraw/zinc/10/79/75/697107975.db2.gz DEISVZPFNDRBGU-HNNXBMFYSA-N 2 1 302.422 1.556 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374839 697117201 /nfs/dbraw/zinc/11/72/01/697117201.db2.gz UFGJJWTVZUHRIQ-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374839 697117203 /nfs/dbraw/zinc/11/72/03/697117203.db2.gz UFGJJWTVZUHRIQ-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982520586 697144281 /nfs/dbraw/zinc/14/42/81/697144281.db2.gz SCMZDJQTWPVFDX-NXHRZFHOSA-N 2 1 307.482 1.929 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982735671 697174388 /nfs/dbraw/zinc/17/43/88/697174388.db2.gz KDFVPEJMVKXWBY-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735671 697174389 /nfs/dbraw/zinc/17/43/89/697174389.db2.gz KDFVPEJMVKXWBY-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735671 697174391 /nfs/dbraw/zinc/17/43/91/697174391.db2.gz KDFVPEJMVKXWBY-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2ccccc2)CC1 ZINC000161499550 697323604 /nfs/dbraw/zinc/32/36/04/697323604.db2.gz YPSBUBTVARGSEY-UHFFFAOYSA-N 2 1 303.454 1.831 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000985427077 697509205 /nfs/dbraw/zinc/50/92/05/697509205.db2.gz CTDZLEVSKBOKHG-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000985427077 697509207 /nfs/dbraw/zinc/50/92/07/697509207.db2.gz CTDZLEVSKBOKHG-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000985427077 697509209 /nfs/dbraw/zinc/50/92/09/697509209.db2.gz CTDZLEVSKBOKHG-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000985491143 697518979 /nfs/dbraw/zinc/51/89/79/697518979.db2.gz BKWUOOSSMBTCMQ-UHFFFAOYSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000985519275 697524427 /nfs/dbraw/zinc/52/44/27/697524427.db2.gz SXWLMJHGXYQPHX-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985519275 697524431 /nfs/dbraw/zinc/52/44/31/697524431.db2.gz SXWLMJHGXYQPHX-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985519275 697524435 /nfs/dbraw/zinc/52/44/35/697524435.db2.gz SXWLMJHGXYQPHX-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C[NH+](C)C1(CNC(=[NH2+])NC[C@@H]2CCCO2)Cc2ccccc2C1 ZINC000262617835 698476293 /nfs/dbraw/zinc/47/62/93/698476293.db2.gz BYPQQWYWECJERH-INIZCTEOSA-N 2 1 316.449 1.169 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000303780389 698606481 /nfs/dbraw/zinc/60/64/81/698606481.db2.gz LHLSBFJFEANHQC-JKSUJKDBSA-N 2 1 302.422 1.169 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000303902421 698610561 /nfs/dbraw/zinc/61/05/61/698610561.db2.gz TZJSGVRLMLVZMP-DLBZAZTESA-N 3 1 323.529 1.886 20 30 DDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C1CCCCC1)N(C)C ZINC000303902421 698610562 /nfs/dbraw/zinc/61/05/62/698610562.db2.gz TZJSGVRLMLVZMP-DLBZAZTESA-N 2 1 323.529 1.886 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C1CCCCC1)N(C)C ZINC000303902421 698610563 /nfs/dbraw/zinc/61/05/63/698610563.db2.gz TZJSGVRLMLVZMP-DLBZAZTESA-N 2 1 323.529 1.886 20 30 DDEDMP CC(C)NC(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000303905367 698611048 /nfs/dbraw/zinc/61/10/48/698611048.db2.gz VNPSUKZYIKFATH-UHFFFAOYSA-N 2 1 317.481 1.507 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868221197 702007883 /nfs/dbraw/zinc/00/78/83/702007883.db2.gz CFWRYSIWWKRPTL-RDJZCZTQSA-N 2 1 320.481 1.763 20 30 DDEDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000843106224 702819858 /nfs/dbraw/zinc/81/98/58/702819858.db2.gz YUMOXQYRTGECPH-IRXDYDNUSA-N 2 1 305.422 1.274 20 30 DDEDMP N#Cc1cnc(Cl)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000877041184 705969201 /nfs/dbraw/zinc/96/92/01/705969201.db2.gz JGZLHHOXAPVHOY-OAHLLOKOSA-N 2 1 322.840 1.933 20 30 DDEDMP C=CCNC(NC[C@@H](O)C(F)(F)F)=[NH+]C[C@@H]1CCC[N@@H+]1CC ZINC000864236577 706106591 /nfs/dbraw/zinc/10/65/91/706106591.db2.gz PYMIFMJHGNGYOU-NWDGAFQWSA-N 2 1 322.375 1.115 20 30 DDEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878728425 706482822 /nfs/dbraw/zinc/48/28/22/706482822.db2.gz ODGUWRONCPLJDY-AWEZNQCLSA-N 2 1 314.433 1.761 20 30 DDEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878728425 706482824 /nfs/dbraw/zinc/48/28/24/706482824.db2.gz ODGUWRONCPLJDY-AWEZNQCLSA-N 2 1 314.433 1.761 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)CCO2 ZINC000830642752 706551973 /nfs/dbraw/zinc/55/19/73/706551973.db2.gz SNZWYLIPCLQXMC-KRWDZBQOSA-N 2 1 315.417 1.388 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CCO2 ZINC000830642752 706551977 /nfs/dbraw/zinc/55/19/77/706551977.db2.gz SNZWYLIPCLQXMC-KRWDZBQOSA-N 2 1 315.417 1.388 20 30 DDEDMP CC(C)(O)[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147340 706891843 /nfs/dbraw/zinc/89/18/43/706891843.db2.gz COZIZQIQKHJFCZ-HOTGVXAUSA-N 2 1 308.466 1.175 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000834488210 707067761 /nfs/dbraw/zinc/06/77/61/707067761.db2.gz ALQGERDTNIDTFX-BRWVUGGUSA-N 2 1 312.417 1.269 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000884204621 708188830 /nfs/dbraw/zinc/18/88/30/708188830.db2.gz ZXMVMHVLWRQMDU-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000884204621 708188833 /nfs/dbraw/zinc/18/88/33/708188833.db2.gz ZXMVMHVLWRQMDU-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000884405668 708283054 /nfs/dbraw/zinc/28/30/54/708283054.db2.gz ZOCLSHISSJQRPU-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000884405668 708283059 /nfs/dbraw/zinc/28/30/59/708283059.db2.gz ZOCLSHISSJQRPU-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000884405668 708283062 /nfs/dbraw/zinc/28/30/62/708283062.db2.gz ZOCLSHISSJQRPU-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000884405668 708283064 /nfs/dbraw/zinc/28/30/64/708283064.db2.gz ZOCLSHISSJQRPU-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000884443983 708299588 /nfs/dbraw/zinc/29/95/88/708299588.db2.gz VEJFWZFHQBBLDF-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000884443983 708299590 /nfs/dbraw/zinc/29/95/90/708299590.db2.gz VEJFWZFHQBBLDF-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000884443983 708299594 /nfs/dbraw/zinc/29/95/94/708299594.db2.gz VEJFWZFHQBBLDF-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000884443983 708299596 /nfs/dbraw/zinc/29/95/96/708299596.db2.gz VEJFWZFHQBBLDF-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(C)CCN(C(=O)OCC)CC1 ZINC000894863500 711300355 /nfs/dbraw/zinc/30/03/55/711300355.db2.gz GAJNRGAHZJNZKC-UHFFFAOYSA-N 2 1 309.454 1.790 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(C)CCN(C(=O)OCC)CC1 ZINC000894863500 711300359 /nfs/dbraw/zinc/30/03/59/711300359.db2.gz GAJNRGAHZJNZKC-UHFFFAOYSA-N 2 1 309.454 1.790 20 30 DDEDMP C#CC1(O)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000931149025 714016465 /nfs/dbraw/zinc/01/64/65/714016465.db2.gz DCLXBRAIORPIFX-UHFFFAOYSA-N 2 1 314.429 1.479 20 30 DDEDMP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC([NH3+])CC2)c(OC)c1 ZINC000923276724 714294321 /nfs/dbraw/zinc/29/43/21/714294321.db2.gz BBVAGYDCKXULFR-INIZCTEOSA-N 2 1 320.433 1.587 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923372815 714332066 /nfs/dbraw/zinc/33/20/66/714332066.db2.gz JXQTUMOHVXCVLU-IRXDYDNUSA-N 2 1 317.433 1.795 20 30 DDEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000925020091 714729383 /nfs/dbraw/zinc/72/93/83/714729383.db2.gz NTSQFOWPIBDOLU-AWEZNQCLSA-N 2 1 308.470 1.847 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959876505 716331636 /nfs/dbraw/zinc/33/16/36/716331636.db2.gz PNYHKPIUESBOLV-ZSHCYNCHSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000960329687 716493102 /nfs/dbraw/zinc/49/31/02/716493102.db2.gz NDRFIEJFPMKCJG-CGTJXYLNSA-N 2 1 313.445 1.886 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962180932 717339381 /nfs/dbraw/zinc/33/93/81/717339381.db2.gz JEWMBLYECYRQAB-FVQHAEBGSA-N 2 1 303.450 1.177 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC000962562426 717516118 /nfs/dbraw/zinc/51/61/18/717516118.db2.gz ZDDXXMFNGGISED-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC000962562426 717516123 /nfs/dbraw/zinc/51/61/23/717516123.db2.gz ZDDXXMFNGGISED-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC000962562426 717516126 /nfs/dbraw/zinc/51/61/26/717516126.db2.gz ZDDXXMFNGGISED-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC000962562426 717516131 /nfs/dbraw/zinc/51/61/31/717516131.db2.gz ZDDXXMFNGGISED-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](C)C1 ZINC000944167972 718264977 /nfs/dbraw/zinc/26/49/77/718264977.db2.gz HFLZBSQAFBEZII-DZGCQCFKSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944167972 718264978 /nfs/dbraw/zinc/26/49/78/718264978.db2.gz HFLZBSQAFBEZII-DZGCQCFKSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944167972 718264979 /nfs/dbraw/zinc/26/49/79/718264979.db2.gz HFLZBSQAFBEZII-DZGCQCFKSA-N 2 1 302.422 1.774 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)C[C@@H]2C)CC1 ZINC000945178126 718414803 /nfs/dbraw/zinc/41/48/03/718414803.db2.gz FEVIQAASVMTPBR-WMZOPIPTSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)C[C@@H]2C)CC1 ZINC000945178755 718415215 /nfs/dbraw/zinc/41/52/15/718415215.db2.gz GVZKILAFQRFZTQ-FUHWJXTLSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904826 718704908 /nfs/dbraw/zinc/70/49/08/718704908.db2.gz UMUMVSUZMOIQEN-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904825 718705026 /nfs/dbraw/zinc/70/50/26/718705026.db2.gz UMUMVSUZMOIQEN-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708227 718975426 /nfs/dbraw/zinc/97/54/26/718975426.db2.gz QISCFEZLMYAJGU-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941084 719313992 /nfs/dbraw/zinc/31/39/92/719313992.db2.gz XHJJTBNEDLAPCN-KBPBESRZSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941084 719313994 /nfs/dbraw/zinc/31/39/94/719313994.db2.gz XHJJTBNEDLAPCN-KBPBESRZSA-N 2 1 302.422 1.916 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052312 719403980 /nfs/dbraw/zinc/40/39/80/719403980.db2.gz AHQHDCMPWOQBOY-GOEBONIOSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052312 719403982 /nfs/dbraw/zinc/40/39/82/719403982.db2.gz AHQHDCMPWOQBOY-GOEBONIOSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948376727 719473435 /nfs/dbraw/zinc/47/34/35/719473435.db2.gz AXGQBBZUXWLQHN-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCOC)CC1 ZINC000948449268 719504944 /nfs/dbraw/zinc/50/49/44/719504944.db2.gz OZGZDTNZJKGHOY-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000948449268 719504948 /nfs/dbraw/zinc/50/49/48/719504948.db2.gz OZGZDTNZJKGHOY-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000948449268 719504951 /nfs/dbraw/zinc/50/49/51/719504951.db2.gz OZGZDTNZJKGHOY-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000948449268 719504954 /nfs/dbraw/zinc/50/49/54/719504954.db2.gz OZGZDTNZJKGHOY-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949509306 720131993 /nfs/dbraw/zinc/13/19/93/720131993.db2.gz OQTFBYAJYQHZNT-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949509306 720131997 /nfs/dbraw/zinc/13/19/97/720131997.db2.gz OQTFBYAJYQHZNT-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949509306 720132001 /nfs/dbraw/zinc/13/20/01/720132001.db2.gz OQTFBYAJYQHZNT-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949509306 720132003 /nfs/dbraw/zinc/13/20/03/720132003.db2.gz OQTFBYAJYQHZNT-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000950381232 720605822 /nfs/dbraw/zinc/60/58/22/720605822.db2.gz MVZKNEGAXNISEJ-RDJZCZTQSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970911528 720982688 /nfs/dbraw/zinc/98/26/88/720982688.db2.gz VLXKCVWPRGIWKV-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911528 720982690 /nfs/dbraw/zinc/98/26/90/720982690.db2.gz VLXKCVWPRGIWKV-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023762185 735450623 /nfs/dbraw/zinc/45/06/23/735450623.db2.gz SPTFBOSIVGNMEM-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023762185 735450627 /nfs/dbraw/zinc/45/06/27/735450627.db2.gz SPTFBOSIVGNMEM-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001027602077 738453462 /nfs/dbraw/zinc/45/34/62/738453462.db2.gz KSAUKJOTPDCLGB-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001027602077 738453463 /nfs/dbraw/zinc/45/34/63/738453463.db2.gz KSAUKJOTPDCLGB-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696632 738556192 /nfs/dbraw/zinc/55/61/92/738556192.db2.gz PUVWNZMAZNCTFM-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696632 738556195 /nfs/dbraw/zinc/55/61/95/738556195.db2.gz PUVWNZMAZNCTFM-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100406061 732467003 /nfs/dbraw/zinc/46/70/03/732467003.db2.gz ZAORXDCDJLWWMI-LEOMRAHMSA-N 2 1 317.477 1.901 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039115990 732760970 /nfs/dbraw/zinc/76/09/70/732760970.db2.gz PIPIRKHYJIPLIT-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173970 733085454 /nfs/dbraw/zinc/08/54/54/733085454.db2.gz JUFHRQFJIIFQRK-SJLPKXTDSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173970 733085457 /nfs/dbraw/zinc/08/54/57/733085457.db2.gz JUFHRQFJIIFQRK-SJLPKXTDSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173970 733085460 /nfs/dbraw/zinc/08/54/60/733085460.db2.gz JUFHRQFJIIFQRK-SJLPKXTDSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310466 733442414 /nfs/dbraw/zinc/44/24/14/733442414.db2.gz ABWPSQONWJBUDV-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021896094 733648931 /nfs/dbraw/zinc/64/89/31/733648931.db2.gz URAICTCSUMJWFD-TYNCELHUSA-N 2 1 318.446 1.451 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001027897428 738785461 /nfs/dbraw/zinc/78/54/61/738785461.db2.gz NGMSMMCUFBWEOU-XJKSGUPXSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929334 738824530 /nfs/dbraw/zinc/82/45/30/738824530.db2.gz DYLXFHQEFOEFQZ-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929334 738824542 /nfs/dbraw/zinc/82/45/42/738824542.db2.gz DYLXFHQEFOEFQZ-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001027930537 738828708 /nfs/dbraw/zinc/82/87/08/738828708.db2.gz RAXYMIVJSNQJOX-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027930537 738828711 /nfs/dbraw/zinc/82/87/11/738828711.db2.gz RAXYMIVJSNQJOX-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027930537 738828714 /nfs/dbraw/zinc/82/87/14/738828714.db2.gz RAXYMIVJSNQJOX-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001022837229 734818474 /nfs/dbraw/zinc/81/84/74/734818474.db2.gz SATSVKRZWZHXRS-LJISPDSOSA-N 2 1 311.857 1.993 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001023091144 735035923 /nfs/dbraw/zinc/03/59/23/735035923.db2.gz KUTAAKAFFCIBOW-CALCHBBNSA-N 2 1 323.400 1.500 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372084 735203675 /nfs/dbraw/zinc/20/36/75/735203675.db2.gz MLBXEABEKGPGDT-DOTOQJQBSA-N 2 1 303.450 1.180 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438668 735828168 /nfs/dbraw/zinc/82/81/68/735828168.db2.gz UIUNEYAZJIEFLL-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC=C ZINC001024487127 735863744 /nfs/dbraw/zinc/86/37/44/735863744.db2.gz MPUXYAYXUPHRGU-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001027984803 738909118 /nfs/dbraw/zinc/90/91/18/738909118.db2.gz UGXAHYRYNQBHJC-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087317618 736081203 /nfs/dbraw/zinc/08/12/03/736081203.db2.gz KPHDFQVVTHSAHC-DJIMGWMZSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087317618 736081208 /nfs/dbraw/zinc/08/12/08/736081208.db2.gz KPHDFQVVTHSAHC-DJIMGWMZSA-N 2 1 314.433 1.430 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104581078 736435637 /nfs/dbraw/zinc/43/56/37/736435637.db2.gz MUPRSQNDTUMSDE-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104581078 736435640 /nfs/dbraw/zinc/43/56/40/736435640.db2.gz MUPRSQNDTUMSDE-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514683 736734291 /nfs/dbraw/zinc/73/42/91/736734291.db2.gz DHEXWIPOCYGZRP-HUUCEWRRSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001027416921 738276060 /nfs/dbraw/zinc/27/60/60/738276060.db2.gz PHVFSOSHNIGJDS-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001027416921 738276064 /nfs/dbraw/zinc/27/60/64/738276064.db2.gz PHVFSOSHNIGJDS-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001027469409 738323482 /nfs/dbraw/zinc/32/34/82/738323482.db2.gz ZRKICYPKNIKCCM-GJZGRUSLSA-N 2 1 300.406 1.002 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027471900 738325549 /nfs/dbraw/zinc/32/55/49/738325549.db2.gz WRXTXDDALBWMOJ-CABCVRRESA-N 2 1 314.433 1.379 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027506307 738358643 /nfs/dbraw/zinc/35/86/43/738358643.db2.gz PZXBAQRRQOSDGW-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713883 739214302 /nfs/dbraw/zinc/21/43/02/739214302.db2.gz XRHJEWYJJLCERG-ZWKOTPCHSA-N 2 1 313.445 1.546 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000997980297 751438553 /nfs/dbraw/zinc/43/85/53/751438553.db2.gz YHMOHFZFHPFKCE-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](F)CC)CC1 ZINC001028333384 739366173 /nfs/dbraw/zinc/36/61/73/739366173.db2.gz IUWLTEWSQDPUHW-SJORKVTESA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3ccnc3CC)[C@@H]2C1 ZINC001075811852 740648608 /nfs/dbraw/zinc/64/86/08/740648608.db2.gz IKHXULLOQPOECQ-HRCADAONSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811852 740648614 /nfs/dbraw/zinc/64/86/14/740648614.db2.gz IKHXULLOQPOECQ-HRCADAONSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC=C)C1 ZINC001088329143 741393341 /nfs/dbraw/zinc/39/33/41/741393341.db2.gz OQBHDAUPPGKFNV-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC=C)C1 ZINC001088329143 741393345 /nfs/dbraw/zinc/39/33/45/741393345.db2.gz OQBHDAUPPGKFNV-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076083648 742531454 /nfs/dbraw/zinc/53/14/54/742531454.db2.gz LPGJJIUNAPCHEG-KSZLIROESA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@@H]3CCCC[N@H+]31)CC2 ZINC001035733284 751826266 /nfs/dbraw/zinc/82/62/66/751826266.db2.gz PXVSTRHZQNTJHD-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)C2)CC1 ZINC001016335196 743480140 /nfs/dbraw/zinc/48/01/40/743480140.db2.gz BNNRQZWIFPTULS-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035794220 751881657 /nfs/dbraw/zinc/88/16/57/751881657.db2.gz AOUDAGLQKJNKEY-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945420 744638136 /nfs/dbraw/zinc/63/81/36/744638136.db2.gz YZVITHMCSFNRGC-OKZBNKHCSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958428 744639766 /nfs/dbraw/zinc/63/97/66/744639766.db2.gz VXPPBXMGCSJRPW-YYIAUSFCSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958428 744639768 /nfs/dbraw/zinc/63/97/68/744639768.db2.gz VXPPBXMGCSJRPW-YYIAUSFCSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958428 744639769 /nfs/dbraw/zinc/63/97/69/744639769.db2.gz VXPPBXMGCSJRPW-YYIAUSFCSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189034478 744813449 /nfs/dbraw/zinc/81/34/49/744813449.db2.gz KXNAYAOLUVEGBT-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCOC)C1 ZINC001190723508 745306601 /nfs/dbraw/zinc/30/66/01/745306601.db2.gz HXZZCZHCENRVON-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCOC)C1 ZINC001190723508 745306608 /nfs/dbraw/zinc/30/66/08/745306608.db2.gz HXZZCZHCENRVON-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCOC)C1 ZINC001190723508 745306614 /nfs/dbraw/zinc/30/66/14/745306614.db2.gz HXZZCZHCENRVON-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCOC)C1 ZINC001190723508 745306619 /nfs/dbraw/zinc/30/66/19/745306619.db2.gz HXZZCZHCENRVON-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249606 745459666 /nfs/dbraw/zinc/45/96/66/745459666.db2.gz LRGLESNDNMIGFJ-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194154748 746293511 /nfs/dbraw/zinc/29/35/11/746293511.db2.gz NTBBJDGFJWMUME-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194154748 746293515 /nfs/dbraw/zinc/29/35/15/746293515.db2.gz NTBBJDGFJWMUME-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194154748 746293519 /nfs/dbraw/zinc/29/35/19/746293519.db2.gz NTBBJDGFJWMUME-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194154748 746293523 /nfs/dbraw/zinc/29/35/23/746293523.db2.gz NTBBJDGFJWMUME-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194266643 746325864 /nfs/dbraw/zinc/32/58/64/746325864.db2.gz XNTSFSIZXJAXSV-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266643 746325869 /nfs/dbraw/zinc/32/58/69/746325869.db2.gz XNTSFSIZXJAXSV-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266643 746325876 /nfs/dbraw/zinc/32/58/76/746325876.db2.gz XNTSFSIZXJAXSV-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993809393 746331373 /nfs/dbraw/zinc/33/13/73/746331373.db2.gz VXQDCBNUCNRYKR-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993809393 746331376 /nfs/dbraw/zinc/33/13/76/746331376.db2.gz VXQDCBNUCNRYKR-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993902744 746372855 /nfs/dbraw/zinc/37/28/55/746372855.db2.gz LHQNGLNMFFEBNO-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993902744 746372861 /nfs/dbraw/zinc/37/28/61/746372861.db2.gz LHQNGLNMFFEBNO-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449183 746374045 /nfs/dbraw/zinc/37/40/45/746374045.db2.gz QIIGFLBPQQKZHN-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449183 746374048 /nfs/dbraw/zinc/37/40/48/746374048.db2.gz QIIGFLBPQQKZHN-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449183 746374053 /nfs/dbraw/zinc/37/40/53/746374053.db2.gz QIIGFLBPQQKZHN-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449183 746374058 /nfs/dbraw/zinc/37/40/58/746374058.db2.gz QIIGFLBPQQKZHN-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@@H]1C ZINC000994501108 746697696 /nfs/dbraw/zinc/69/76/96/746697696.db2.gz SDCLKYFWGYUUTR-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089410753 746821844 /nfs/dbraw/zinc/82/18/44/746821844.db2.gz UFSLWBHBMYIZBQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089410753 746821850 /nfs/dbraw/zinc/82/18/50/746821850.db2.gz UFSLWBHBMYIZBQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089410753 746821857 /nfs/dbraw/zinc/82/18/57/746821857.db2.gz UFSLWBHBMYIZBQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089410753 746821862 /nfs/dbraw/zinc/82/18/62/746821862.db2.gz UFSLWBHBMYIZBQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)CC(C)(C)C1 ZINC001089560987 747223379 /nfs/dbraw/zinc/22/33/79/747223379.db2.gz LTHFKHQVBHWGRJ-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC(C)(C)C1 ZINC001089560987 747223386 /nfs/dbraw/zinc/22/33/86/747223386.db2.gz LTHFKHQVBHWGRJ-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC(C)(C)C1 ZINC001089560987 747223389 /nfs/dbraw/zinc/22/33/89/747223389.db2.gz LTHFKHQVBHWGRJ-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089560987 747223395 /nfs/dbraw/zinc/22/33/95/747223395.db2.gz LTHFKHQVBHWGRJ-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089560987 747223399 /nfs/dbraw/zinc/22/33/99/747223399.db2.gz LTHFKHQVBHWGRJ-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cncn1-c1cc[nH+]cc1 ZINC001198557069 747539408 /nfs/dbraw/zinc/53/94/08/747539408.db2.gz MORJJBVONXVCJX-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089731525 747709517 /nfs/dbraw/zinc/70/95/17/747709517.db2.gz FOZDRFXWWBLMNS-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089731525 747709522 /nfs/dbraw/zinc/70/95/22/747709522.db2.gz FOZDRFXWWBLMNS-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089731525 747709526 /nfs/dbraw/zinc/70/95/26/747709526.db2.gz FOZDRFXWWBLMNS-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033082966 748219910 /nfs/dbraw/zinc/21/99/10/748219910.db2.gz VZVSYYXMQQYZLL-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033082966 748219913 /nfs/dbraw/zinc/21/99/13/748219913.db2.gz VZVSYYXMQQYZLL-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033082966 748219920 /nfs/dbraw/zinc/21/99/20/748219920.db2.gz VZVSYYXMQQYZLL-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720982 748327645 /nfs/dbraw/zinc/32/76/45/748327645.db2.gz FSDRIFRXJVQOMF-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCC)C1 ZINC001200721050 748328651 /nfs/dbraw/zinc/32/86/51/748328651.db2.gz FTPOPPYNXHZRLK-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCC)C1 ZINC001200721050 748328656 /nfs/dbraw/zinc/32/86/56/748328656.db2.gz FTPOPPYNXHZRLK-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201225654 748451616 /nfs/dbraw/zinc/45/16/16/748451616.db2.gz MZLHIURNHNGWFF-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001201700846 748578552 /nfs/dbraw/zinc/57/85/52/748578552.db2.gz FRKLWJCBFOERSW-HQVVEAJESA-N 2 1 319.449 1.006 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618017 748594127 /nfs/dbraw/zinc/59/41/27/748594127.db2.gz VPXGJVSZUBFRGS-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004618017 748594134 /nfs/dbraw/zinc/59/41/34/748594134.db2.gz VPXGJVSZUBFRGS-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004618017 748594138 /nfs/dbraw/zinc/59/41/38/748594138.db2.gz VPXGJVSZUBFRGS-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147843 748696490 /nfs/dbraw/zinc/69/64/90/748696490.db2.gz KZOPTUTVYCLFSH-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107075172 748928774 /nfs/dbraw/zinc/92/87/74/748928774.db2.gz STWMVGYJTZVGQM-SJLPKXTDSA-N 2 1 313.445 1.436 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107075172 748928780 /nfs/dbraw/zinc/92/87/80/748928780.db2.gz STWMVGYJTZVGQM-SJLPKXTDSA-N 2 1 313.445 1.436 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095404958 749722470 /nfs/dbraw/zinc/72/24/70/749722470.db2.gz HWFUDKKGTXRBEI-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095404958 749722475 /nfs/dbraw/zinc/72/24/75/749722475.db2.gz HWFUDKKGTXRBEI-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095404958 749722478 /nfs/dbraw/zinc/72/24/78/749722478.db2.gz HWFUDKKGTXRBEI-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095404959 749722532 /nfs/dbraw/zinc/72/25/32/749722532.db2.gz HWFUDKKGTXRBEI-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095404959 749722536 /nfs/dbraw/zinc/72/25/36/749722536.db2.gz HWFUDKKGTXRBEI-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095404959 749722541 /nfs/dbraw/zinc/72/25/41/749722541.db2.gz HWFUDKKGTXRBEI-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000996618146 749791656 /nfs/dbraw/zinc/79/16/56/749791656.db2.gz DKJPGRHYVCSVHD-JKSUJKDBSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033879928 750043172 /nfs/dbraw/zinc/04/31/72/750043172.db2.gz HUWQBTIUJBXHTM-LSDHHAIUSA-N 2 1 302.422 1.554 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426441 750046451 /nfs/dbraw/zinc/04/64/51/750046451.db2.gz TYRZYLYBKTZZEG-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001077777569 750618351 /nfs/dbraw/zinc/61/83/51/750618351.db2.gz QVPFKBHDFSSRKB-GVDBMIGSSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034664012 750636472 /nfs/dbraw/zinc/63/64/72/750636472.db2.gz RHHNWUZKTQOPLH-BZSNNMDCSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1 ZINC001034664012 750636479 /nfs/dbraw/zinc/63/64/79/750636479.db2.gz RHHNWUZKTQOPLH-BZSNNMDCSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001039469574 762059173 /nfs/dbraw/zinc/05/91/73/762059173.db2.gz GHRNQGIFXOYCRA-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001039469574 762059183 /nfs/dbraw/zinc/05/91/83/762059183.db2.gz GHRNQGIFXOYCRA-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001039469574 762059193 /nfs/dbraw/zinc/05/91/93/762059193.db2.gz GHRNQGIFXOYCRA-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001034694195 750730978 /nfs/dbraw/zinc/73/09/78/750730978.db2.gz MNCFPZCDKGTYDT-BFKWJSRZSA-N 2 1 319.449 1.053 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001005637102 750739388 /nfs/dbraw/zinc/73/93/88/750739388.db2.gz BMXWAKIBGCLGJX-UHFFFAOYSA-N 2 1 320.437 1.849 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039486617 762071247 /nfs/dbraw/zinc/07/12/47/762071247.db2.gz OMNBCMOUQRALAG-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CC)CC2CC2)CC1 ZINC001039486617 762071254 /nfs/dbraw/zinc/07/12/54/762071254.db2.gz OMNBCMOUQRALAG-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039486617 762071261 /nfs/dbraw/zinc/07/12/61/762071261.db2.gz OMNBCMOUQRALAG-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC)CC2CC2)CC1 ZINC001039486617 762071269 /nfs/dbraw/zinc/07/12/69/762071269.db2.gz OMNBCMOUQRALAG-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC)CC2CC2)CC1 ZINC001039486617 762071277 /nfs/dbraw/zinc/07/12/77/762071277.db2.gz OMNBCMOUQRALAG-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089907889 750820943 /nfs/dbraw/zinc/82/09/43/750820943.db2.gz OWNDHLLTELMGIV-FJIDUMEYSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)C ZINC001032453992 750881965 /nfs/dbraw/zinc/88/19/65/750881965.db2.gz YZXUWKJMRSXNKB-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)C ZINC001032453992 750881974 /nfs/dbraw/zinc/88/19/74/750881974.db2.gz YZXUWKJMRSXNKB-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)C ZINC001032453992 750881983 /nfs/dbraw/zinc/88/19/83/750881983.db2.gz YZXUWKJMRSXNKB-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)C ZINC001032453992 750881988 /nfs/dbraw/zinc/88/19/88/750881988.db2.gz YZXUWKJMRSXNKB-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997431589 750924820 /nfs/dbraw/zinc/92/48/20/750924820.db2.gz PMQAJQBTTJXKNR-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997431589 750924823 /nfs/dbraw/zinc/92/48/23/750924823.db2.gz PMQAJQBTTJXKNR-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000683364 762087569 /nfs/dbraw/zinc/08/75/69/762087569.db2.gz QOTFBFIYFUDFCO-IAGOWNOFSA-N 2 1 303.450 1.795 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000683364 762087581 /nfs/dbraw/zinc/08/75/81/762087581.db2.gz QOTFBFIYFUDFCO-IAGOWNOFSA-N 2 1 303.450 1.795 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000683364 762087587 /nfs/dbraw/zinc/08/75/87/762087587.db2.gz QOTFBFIYFUDFCO-IAGOWNOFSA-N 2 1 303.450 1.795 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035187092 751287396 /nfs/dbraw/zinc/28/73/96/751287396.db2.gz OZVGVQMZZUBSCD-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035187092 751287398 /nfs/dbraw/zinc/28/73/98/751287398.db2.gz OZVGVQMZZUBSCD-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035187092 751287400 /nfs/dbraw/zinc/28/74/00/751287400.db2.gz OZVGVQMZZUBSCD-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997832270 751309798 /nfs/dbraw/zinc/30/97/98/751309798.db2.gz PPICYHBOTHMUAL-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997832270 751309804 /nfs/dbraw/zinc/30/98/04/751309804.db2.gz PPICYHBOTHMUAL-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284089 752652847 /nfs/dbraw/zinc/65/28/47/752652847.db2.gz XPVKVMZGAGVFBS-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284089 752652849 /nfs/dbraw/zinc/65/28/49/752652849.db2.gz XPVKVMZGAGVFBS-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284089 752652852 /nfs/dbraw/zinc/65/28/52/752652852.db2.gz XPVKVMZGAGVFBS-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284089 752652854 /nfs/dbraw/zinc/65/28/54/752652854.db2.gz XPVKVMZGAGVFBS-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999351933 752854626 /nfs/dbraw/zinc/85/46/26/752854626.db2.gz HLFHLLPDNBLYQN-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107999149 753426468 /nfs/dbraw/zinc/42/64/68/753426468.db2.gz YLOOQBBWMKCGKT-WMZOPIPTSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001108007064 753493669 /nfs/dbraw/zinc/49/36/69/753493669.db2.gz LKUXUSKLHBUEGW-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108007064 753493675 /nfs/dbraw/zinc/49/36/75/753493675.db2.gz LKUXUSKLHBUEGW-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007064 753493679 /nfs/dbraw/zinc/49/36/79/753493679.db2.gz LKUXUSKLHBUEGW-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007064 753493683 /nfs/dbraw/zinc/49/36/83/753493683.db2.gz LKUXUSKLHBUEGW-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545936 754122103 /nfs/dbraw/zinc/12/21/03/754122103.db2.gz HYUQMNRGQDTIMK-MRXNPFEDSA-N 2 1 301.434 1.781 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545936 754122107 /nfs/dbraw/zinc/12/21/07/754122107.db2.gz HYUQMNRGQDTIMK-MRXNPFEDSA-N 2 1 301.434 1.781 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078813361 754418593 /nfs/dbraw/zinc/41/85/93/754418593.db2.gz ZOSFVLVGQBWXRO-KBPBESRZSA-N 2 1 322.840 1.961 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001835730 754531308 /nfs/dbraw/zinc/53/13/08/754531308.db2.gz ZLUFGBBPUKUULL-DOTOQJQBSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001835020 754545021 /nfs/dbraw/zinc/54/50/21/754545021.db2.gz ULXICPHJWVZZEX-WFASDCNBSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001835020 754545023 /nfs/dbraw/zinc/54/50/23/754545023.db2.gz ULXICPHJWVZZEX-WFASDCNBSA-N 2 1 313.873 1.765 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079849166 755620480 /nfs/dbraw/zinc/62/04/80/755620480.db2.gz PFSOWLCQPGUDKW-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079849166 755620483 /nfs/dbraw/zinc/62/04/83/755620483.db2.gz PFSOWLCQPGUDKW-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079849166 755620487 /nfs/dbraw/zinc/62/04/87/755620487.db2.gz PFSOWLCQPGUDKW-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188282 755755191 /nfs/dbraw/zinc/75/51/91/755755191.db2.gz BFDUUIDGTUBVSR-OIISXLGYSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014730897 755911575 /nfs/dbraw/zinc/91/15/75/755911575.db2.gz XVXMAKKOJKXRNT-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014730897 755911577 /nfs/dbraw/zinc/91/15/77/755911577.db2.gz XVXMAKKOJKXRNT-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014730897 755911579 /nfs/dbraw/zinc/91/15/79/755911579.db2.gz XVXMAKKOJKXRNT-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014730897 755911581 /nfs/dbraw/zinc/91/15/81/755911581.db2.gz XVXMAKKOJKXRNT-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080624154 756007666 /nfs/dbraw/zinc/00/76/66/756007666.db2.gz SBQJRSPPYOSIHA-RHSMWYFYSA-N 2 1 301.434 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015302118 756230341 /nfs/dbraw/zinc/23/03/41/756230341.db2.gz ARJBHFWVYOCFQG-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015302118 756230342 /nfs/dbraw/zinc/23/03/42/756230342.db2.gz ARJBHFWVYOCFQG-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082052895 756607590 /nfs/dbraw/zinc/60/75/90/756607590.db2.gz ODQPVAHUOHCIGJ-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052895 756607593 /nfs/dbraw/zinc/60/75/93/756607593.db2.gz ODQPVAHUOHCIGJ-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052895 756607596 /nfs/dbraw/zinc/60/75/96/756607596.db2.gz ODQPVAHUOHCIGJ-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082198531 756672717 /nfs/dbraw/zinc/67/27/17/756672717.db2.gz ASCFYJCCCMRPDI-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082198531 756672720 /nfs/dbraw/zinc/67/27/20/756672720.db2.gz ASCFYJCCCMRPDI-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082198531 756672723 /nfs/dbraw/zinc/67/27/23/756672723.db2.gz ASCFYJCCCMRPDI-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001082198531 756672726 /nfs/dbraw/zinc/67/27/26/756672726.db2.gz ASCFYJCCCMRPDI-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097638695 757298269 /nfs/dbraw/zinc/29/82/69/757298269.db2.gz FTLJMCIGYFSFNW-OAGGEKHMSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464998 762545899 /nfs/dbraw/zinc/54/58/99/762545899.db2.gz STRMVZPOMLSVBR-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701766 757791745 /nfs/dbraw/zinc/79/17/45/757791745.db2.gz QVUHGNYEFHFGAB-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701766 757791747 /nfs/dbraw/zinc/79/17/47/757791747.db2.gz QVUHGNYEFHFGAB-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701766 757791749 /nfs/dbraw/zinc/79/17/49/757791749.db2.gz QVUHGNYEFHFGAB-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954752 758004584 /nfs/dbraw/zinc/00/45/84/758004584.db2.gz RKWRBHAFNPKNMA-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955203 758006610 /nfs/dbraw/zinc/00/66/10/758006610.db2.gz ASSXNZYMDWWFSR-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955203 758006618 /nfs/dbraw/zinc/00/66/18/758006618.db2.gz ASSXNZYMDWWFSR-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955203 758006624 /nfs/dbraw/zinc/00/66/24/758006624.db2.gz ASSXNZYMDWWFSR-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085033157 758166519 /nfs/dbraw/zinc/16/65/19/758166519.db2.gz SPAFLANODAMJRC-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](CC#C)CC1 ZINC001018301342 758711959 /nfs/dbraw/zinc/71/19/59/758711959.db2.gz PMTQOQZEVPQRHD-HDICACEKSA-N 2 1 313.445 1.030 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053982471 759022264 /nfs/dbraw/zinc/02/22/64/759022264.db2.gz KFPWXXXRECLVKT-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001053982471 759022272 /nfs/dbraw/zinc/02/22/72/759022272.db2.gz KFPWXXXRECLVKT-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054144904 759221800 /nfs/dbraw/zinc/22/18/00/759221800.db2.gz FBXSTIDRKRUEQZ-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054144904 759221810 /nfs/dbraw/zinc/22/18/10/759221810.db2.gz FBXSTIDRKRUEQZ-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054144904 759221817 /nfs/dbraw/zinc/22/18/17/759221817.db2.gz FBXSTIDRKRUEQZ-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197640 759282182 /nfs/dbraw/zinc/28/21/82/759282182.db2.gz GFQSKBPWWFCZSO-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197640 759282188 /nfs/dbraw/zinc/28/21/88/759282188.db2.gz GFQSKBPWWFCZSO-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054197640 759282193 /nfs/dbraw/zinc/28/21/93/759282193.db2.gz GFQSKBPWWFCZSO-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241512 759332126 /nfs/dbraw/zinc/33/21/26/759332126.db2.gz SUBOROIXPZLMNC-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241512 759332134 /nfs/dbraw/zinc/33/21/34/759332134.db2.gz SUBOROIXPZLMNC-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213084 760383049 /nfs/dbraw/zinc/38/30/49/760383049.db2.gz LDFSNSAFBKOCCH-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213084 760383057 /nfs/dbraw/zinc/38/30/57/760383057.db2.gz LDFSNSAFBKOCCH-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213084 760383065 /nfs/dbraw/zinc/38/30/65/760383065.db2.gz LDFSNSAFBKOCCH-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039138097 761772048 /nfs/dbraw/zinc/77/20/48/761772048.db2.gz VLEWGEQUWRYQQM-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179867 761804402 /nfs/dbraw/zinc/80/44/02/761804402.db2.gz HXRBWAXBPDIBNY-MSOLQXFVSA-N 2 1 319.493 1.766 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001424752 762851693 /nfs/dbraw/zinc/85/16/93/762851693.db2.gz LKCFOKPRKXNYEG-IAGOWNOFSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041287439 762935034 /nfs/dbraw/zinc/93/50/34/762935034.db2.gz QRLKPABFPVQCMH-MJGOQNOKSA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041344724 762969934 /nfs/dbraw/zinc/96/99/34/762969934.db2.gz WVSLSYBYAYPMHD-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041344724 762969936 /nfs/dbraw/zinc/96/99/36/762969936.db2.gz WVSLSYBYAYPMHD-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041344724 762969939 /nfs/dbraw/zinc/96/99/39/762969939.db2.gz WVSLSYBYAYPMHD-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001041368207 762983879 /nfs/dbraw/zinc/98/38/79/762983879.db2.gz KLUZRKZCZZMKFE-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=C)C)C2)C1 ZINC001041368207 762983880 /nfs/dbraw/zinc/98/38/80/762983880.db2.gz KLUZRKZCZZMKFE-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(=C)C)C2)C1 ZINC001041368207 762983882 /nfs/dbraw/zinc/98/38/82/762983882.db2.gz KLUZRKZCZZMKFE-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(=C)C)C2)C1 ZINC001041368207 762983883 /nfs/dbraw/zinc/98/38/83/762983883.db2.gz KLUZRKZCZZMKFE-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041504723 763084642 /nfs/dbraw/zinc/08/46/42/763084642.db2.gz BJIMDGYMFALUHP-MJGOQNOKSA-N 2 1 315.461 1.418 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598791 763167555 /nfs/dbraw/zinc/16/75/55/763167555.db2.gz CPPMKJQBKBMINO-XYJFISCASA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598791 763167562 /nfs/dbraw/zinc/16/75/62/763167562.db2.gz CPPMKJQBKBMINO-XYJFISCASA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598791 763167571 /nfs/dbraw/zinc/16/75/71/763167571.db2.gz CPPMKJQBKBMINO-XYJFISCASA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050141369 763204932 /nfs/dbraw/zinc/20/49/32/763204932.db2.gz SSCNJBZWIRMULD-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050141369 763204941 /nfs/dbraw/zinc/20/49/41/763204941.db2.gz SSCNJBZWIRMULD-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050141369 763204950 /nfs/dbraw/zinc/20/49/50/763204950.db2.gz SSCNJBZWIRMULD-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001050171892 763258363 /nfs/dbraw/zinc/25/83/63/763258363.db2.gz AADWLYZEPBWUKT-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725705 763258693 /nfs/dbraw/zinc/25/86/93/763258693.db2.gz QGSKOVPMGYBZGJ-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046926807 768122615 /nfs/dbraw/zinc/12/26/15/768122615.db2.gz WDVONHBEPZMZMO-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926807 768122617 /nfs/dbraw/zinc/12/26/17/768122617.db2.gz WDVONHBEPZMZMO-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926807 768122621 /nfs/dbraw/zinc/12/26/21/768122621.db2.gz WDVONHBEPZMZMO-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041832231 763383776 /nfs/dbraw/zinc/38/37/76/763383776.db2.gz UWGHWYBTEFALNH-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041832231 763383783 /nfs/dbraw/zinc/38/37/83/763383783.db2.gz UWGHWYBTEFALNH-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041832231 763383790 /nfs/dbraw/zinc/38/37/90/763383790.db2.gz UWGHWYBTEFALNH-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837378 763392687 /nfs/dbraw/zinc/39/26/87/763392687.db2.gz GHSFFOSDNTVJGF-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837378 763392697 /nfs/dbraw/zinc/39/26/97/763392697.db2.gz GHSFFOSDNTVJGF-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837378 763392705 /nfs/dbraw/zinc/39/27/05/763392705.db2.gz GHSFFOSDNTVJGF-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837378 763392715 /nfs/dbraw/zinc/39/27/15/763392715.db2.gz GHSFFOSDNTVJGF-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156639 763720458 /nfs/dbraw/zinc/72/04/58/763720458.db2.gz JTMSMPZTFKTLRZ-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042158511 763723788 /nfs/dbraw/zinc/72/37/88/763723788.db2.gz YNZBKJWCFXMRPM-PBHICJAKSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC=C)CC2 ZINC001050550061 763743843 /nfs/dbraw/zinc/74/38/43/763743843.db2.gz HDODUNHOSARLPZ-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC=C)CC2 ZINC001050550061 763743845 /nfs/dbraw/zinc/74/38/45/763743845.db2.gz HDODUNHOSARLPZ-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848118 764129979 /nfs/dbraw/zinc/12/99/79/764129979.db2.gz XHXMFZSLWDONCA-IKGGRYGDSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848118 764129988 /nfs/dbraw/zinc/12/99/88/764129988.db2.gz XHXMFZSLWDONCA-IKGGRYGDSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001111552320 764285477 /nfs/dbraw/zinc/28/54/77/764285477.db2.gz CCDCXJPJDUUNQZ-INIZCTEOSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112578681 764423953 /nfs/dbraw/zinc/42/39/53/764423953.db2.gz ANMOLAPNTTWUAA-RYRKJORJSA-N 2 1 303.450 1.180 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001044653438 765727278 /nfs/dbraw/zinc/72/72/78/765727278.db2.gz BSQUHKWHNHVNEQ-KGLIPLIRSA-N 2 1 320.437 1.895 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001044679364 765748344 /nfs/dbraw/zinc/74/83/44/765748344.db2.gz ACHSUGPKZBLPGK-OCCSQVGLSA-N 2 1 310.829 1.913 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444526 766311102 /nfs/dbraw/zinc/31/11/02/766311102.db2.gz ODLAPMVTYCMTMA-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045664276 766489425 /nfs/dbraw/zinc/48/94/25/766489425.db2.gz YONKLSOXQFZYGH-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045966897 766746495 /nfs/dbraw/zinc/74/64/95/766746495.db2.gz IZFWWEQNQOTALT-FUHWJXTLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046377588 767487888 /nfs/dbraw/zinc/48/78/88/767487888.db2.gz MUIOUQFMPCZEER-YOEHRIQHSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046377588 767487893 /nfs/dbraw/zinc/48/78/93/767487893.db2.gz MUIOUQFMPCZEER-YOEHRIQHSA-N 2 1 300.406 1.364 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501438 767633132 /nfs/dbraw/zinc/63/31/32/767633132.db2.gz RJEOQCPASREXIT-CQDXFGNVSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501438 767633138 /nfs/dbraw/zinc/63/31/38/767633138.db2.gz RJEOQCPASREXIT-CQDXFGNVSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501438 767633142 /nfs/dbraw/zinc/63/31/42/767633142.db2.gz RJEOQCPASREXIT-CQDXFGNVSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426300 768844083 /nfs/dbraw/zinc/84/40/83/768844083.db2.gz VKKGNJFADZCAHH-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132977547 769380288 /nfs/dbraw/zinc/38/02/88/769380288.db2.gz MZYXCKNOEYUXBS-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133005067 769397328 /nfs/dbraw/zinc/39/73/28/769397328.db2.gz UPLLMIFEUCALAX-HIFRSBDPSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133166244 769555116 /nfs/dbraw/zinc/55/51/16/769555116.db2.gz RNIITPOPMJUSOZ-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048587447 769563926 /nfs/dbraw/zinc/56/39/26/769563926.db2.gz LUPAWQWHYQGWAR-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048587447 769563930 /nfs/dbraw/zinc/56/39/30/769563930.db2.gz LUPAWQWHYQGWAR-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048587447 769563934 /nfs/dbraw/zinc/56/39/34/769563934.db2.gz LUPAWQWHYQGWAR-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600375 769691399 /nfs/dbraw/zinc/69/13/99/769691399.db2.gz LAJCQZJDHASKPX-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048815146 769933442 /nfs/dbraw/zinc/93/34/42/769933442.db2.gz JGGHIMNISLNESY-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048815146 769933449 /nfs/dbraw/zinc/93/34/49/769933449.db2.gz JGGHIMNISLNESY-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048815146 769933457 /nfs/dbraw/zinc/93/34/57/769933457.db2.gz JGGHIMNISLNESY-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818936 769939867 /nfs/dbraw/zinc/93/98/67/769939867.db2.gz OKNISZOINSNVEV-BDXSIMOUSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818936 769939873 /nfs/dbraw/zinc/93/98/73/769939873.db2.gz OKNISZOINSNVEV-BDXSIMOUSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818936 769939875 /nfs/dbraw/zinc/93/98/75/769939875.db2.gz OKNISZOINSNVEV-BDXSIMOUSA-N 2 1 317.477 1.827 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001048919156 770109035 /nfs/dbraw/zinc/10/90/35/770109035.db2.gz RHSKZKPNTKHDQX-IYBDPMFKSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939833 770143016 /nfs/dbraw/zinc/14/30/16/770143016.db2.gz YGGDJCOCAZGUJR-IYBDPMFKSA-N 2 1 308.385 1.361 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001181 770230492 /nfs/dbraw/zinc/23/04/92/770230492.db2.gz LXEXNGBXLPVESW-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001181 770230499 /nfs/dbraw/zinc/23/04/99/770230499.db2.gz LXEXNGBXLPVESW-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001181 770230509 /nfs/dbraw/zinc/23/05/09/770230509.db2.gz LXEXNGBXLPVESW-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097887 770369531 /nfs/dbraw/zinc/36/95/31/770369531.db2.gz WGJIQASWCDQACG-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097887 770369541 /nfs/dbraw/zinc/36/95/41/770369541.db2.gz WGJIQASWCDQACG-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097887 770369550 /nfs/dbraw/zinc/36/95/50/770369550.db2.gz WGJIQASWCDQACG-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232339 770578413 /nfs/dbraw/zinc/57/84/13/770578413.db2.gz SRDQXUJJCPGZNQ-WNKDZCFJSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232339 770578421 /nfs/dbraw/zinc/57/84/21/770578421.db2.gz SRDQXUJJCPGZNQ-WNKDZCFJSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232339 770578425 /nfs/dbraw/zinc/57/84/25/770578425.db2.gz SRDQXUJJCPGZNQ-WNKDZCFJSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049519470 770966924 /nfs/dbraw/zinc/96/69/24/770966924.db2.gz ZKTYHBGDLREDOI-JKSUJKDBSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791461 771160580 /nfs/dbraw/zinc/16/05/80/771160580.db2.gz VFBYPRHYCIQLPC-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791461 771160585 /nfs/dbraw/zinc/16/05/85/771160585.db2.gz VFBYPRHYCIQLPC-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846251 771203137 /nfs/dbraw/zinc/20/31/37/771203137.db2.gz GUNTUHALCYATGX-SJORKVTESA-N 2 1 312.417 1.460 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691503 772113658 /nfs/dbraw/zinc/11/36/58/772113658.db2.gz FULHDTHAOFJKPC-DLBZAZTESA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001147731934 773202819 /nfs/dbraw/zinc/20/28/19/773202819.db2.gz UQHGKBUOKDKPGI-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147731934 773202822 /nfs/dbraw/zinc/20/28/22/773202822.db2.gz UQHGKBUOKDKPGI-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147731934 773202824 /nfs/dbraw/zinc/20/28/24/773202824.db2.gz UQHGKBUOKDKPGI-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174575 773382784 /nfs/dbraw/zinc/38/27/84/773382784.db2.gz PTRQBRUHLZORCW-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748737 773591175 /nfs/dbraw/zinc/59/11/75/773591175.db2.gz XESQBGWNEDIDCP-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748737 773591177 /nfs/dbraw/zinc/59/11/77/773591177.db2.gz XESQBGWNEDIDCP-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748737 773591181 /nfs/dbraw/zinc/59/11/81/773591181.db2.gz XESQBGWNEDIDCP-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014883 773921733 /nfs/dbraw/zinc/92/17/33/773921733.db2.gz GJYGEROINNJCFO-APWZRJJASA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014883 773921737 /nfs/dbraw/zinc/92/17/37/773921737.db2.gz GJYGEROINNJCFO-APWZRJJASA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092014883 773921741 /nfs/dbraw/zinc/92/17/41/773921741.db2.gz GJYGEROINNJCFO-APWZRJJASA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092070983 773935466 /nfs/dbraw/zinc/93/54/66/773935466.db2.gz DAVDXCSGUXKJHB-AEFFLSMTSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CC=C)C[C@@]3(C)C2)CC1 ZINC001092299652 774052360 /nfs/dbraw/zinc/05/23/60/774052360.db2.gz DSTMYRJMQGKNSQ-MJGOQNOKSA-N 2 1 315.461 1.298 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)[C@H]1C ZINC001074661918 774053922 /nfs/dbraw/zinc/05/39/22/774053922.db2.gz SEZXYBMSFGXPJU-HEHGZKQESA-N 2 1 317.437 1.555 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)[C@H]1C ZINC001074661918 774053928 /nfs/dbraw/zinc/05/39/28/774053928.db2.gz SEZXYBMSFGXPJU-HEHGZKQESA-N 2 1 317.437 1.555 20 30 DDEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092675605 774213994 /nfs/dbraw/zinc/21/39/94/774213994.db2.gz JVQWJJJOPBAOSD-IXDOHACOSA-N 2 1 307.482 1.834 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675605 774213998 /nfs/dbraw/zinc/21/39/98/774213998.db2.gz JVQWJJJOPBAOSD-IXDOHACOSA-N 2 1 307.482 1.834 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675605 774214003 /nfs/dbraw/zinc/21/40/03/774214003.db2.gz JVQWJJJOPBAOSD-IXDOHACOSA-N 2 1 307.482 1.834 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092966061 774340923 /nfs/dbraw/zinc/34/09/23/774340923.db2.gz QDMPRIXPGJTTIK-VNQPRFMTSA-N 2 1 314.433 1.071 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092966061 774340930 /nfs/dbraw/zinc/34/09/30/774340930.db2.gz QDMPRIXPGJTTIK-VNQPRFMTSA-N 2 1 314.433 1.071 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759028 774504236 /nfs/dbraw/zinc/50/42/36/774504236.db2.gz DKDZXWJVULQVNG-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036760145 774508219 /nfs/dbraw/zinc/50/82/19/774508219.db2.gz XNXZWDHWCHKGCG-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001099169833 774877873 /nfs/dbraw/zinc/87/78/73/774877873.db2.gz ZRTSCCZNWQPTMU-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001099169833 774877879 /nfs/dbraw/zinc/87/78/79/774877879.db2.gz ZRTSCCZNWQPTMU-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099169833 774877888 /nfs/dbraw/zinc/87/78/88/774877888.db2.gz ZRTSCCZNWQPTMU-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099169833 774877896 /nfs/dbraw/zinc/87/78/96/774877896.db2.gz ZRTSCCZNWQPTMU-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310387 774941914 /nfs/dbraw/zinc/94/19/14/774941914.db2.gz KQRIJSPMGGSBTB-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309945 774941951 /nfs/dbraw/zinc/94/19/51/774941951.db2.gz HGXPPCFDDIEXSQ-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099588447 775051161 /nfs/dbraw/zinc/05/11/61/775051161.db2.gz BHGYQMLOZUEEKN-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036895675 776007374 /nfs/dbraw/zinc/00/73/74/776007374.db2.gz BYKCFTSCZUGBPU-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036895675 776007383 /nfs/dbraw/zinc/00/73/83/776007383.db2.gz BYKCFTSCZUGBPU-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP N#Cc1ccc(OCCNc2[nH+]cccc2N2CC[NH2+]CC2)cc1 ZINC001171482708 776293444 /nfs/dbraw/zinc/29/34/44/776293444.db2.gz VNFOERFOOCOELD-UHFFFAOYSA-N 2 1 323.400 1.854 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171538506 776317745 /nfs/dbraw/zinc/31/77/45/776317745.db2.gz NHJJPKOJZPXJIA-IAGOWNOFSA-N 2 1 323.481 1.385 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599391 776351100 /nfs/dbraw/zinc/35/11/00/776351100.db2.gz UKLBRMCCXUGEEU-AQFXKWCLSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171872945 776484926 /nfs/dbraw/zinc/48/49/26/776484926.db2.gz KWYDUAPZRFNGHS-UERKLNTKSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101039677 776849033 /nfs/dbraw/zinc/84/90/33/776849033.db2.gz XTVHFKFIOASNCN-PREGVCBESA-N 2 1 301.434 1.960 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101363230 777097158 /nfs/dbraw/zinc/09/71/58/777097158.db2.gz RKQRHUMFATUSDT-AOIWGVFYSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174913948 777632352 /nfs/dbraw/zinc/63/23/52/777632352.db2.gz UPYOJQFGKAOCIH-SJORKVTESA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174913948 777632357 /nfs/dbraw/zinc/63/23/57/777632357.db2.gz UPYOJQFGKAOCIH-SJORKVTESA-N 2 1 323.481 1.384 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001175704274 777891288 /nfs/dbraw/zinc/89/12/88/777891288.db2.gz UNTCFJMWIWSMQD-KRWDZBQOSA-N 2 1 323.481 1.387 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001176071222 778010880 /nfs/dbraw/zinc/01/08/80/778010880.db2.gz CZXDBDYHHBGCGW-INIZCTEOSA-N 2 1 300.406 1.106 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102428891 778132595 /nfs/dbraw/zinc/13/25/95/778132595.db2.gz XSTGMCUAMNBUIU-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103088087 778630740 /nfs/dbraw/zinc/63/07/40/778630740.db2.gz VRNMXBNNXLFVTD-DJIMGWMZSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001103757244 779033987 /nfs/dbraw/zinc/03/39/87/779033987.db2.gz SLVDOVDDLZWYOR-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103757244 779033993 /nfs/dbraw/zinc/03/39/93/779033993.db2.gz SLVDOVDDLZWYOR-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103757244 779033999 /nfs/dbraw/zinc/03/39/99/779033999.db2.gz SLVDOVDDLZWYOR-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178735865 779159734 /nfs/dbraw/zinc/15/97/34/779159734.db2.gz GYDVGIIZOURFKI-PMPSAXMXSA-N 2 1 316.449 1.999 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115242822 779972993 /nfs/dbraw/zinc/97/29/93/779972993.db2.gz CSAKUHJTONFWII-UTXMOHQDSA-N 2 1 302.422 1.593 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115242822 779973003 /nfs/dbraw/zinc/97/30/03/779973003.db2.gz CSAKUHJTONFWII-UTXMOHQDSA-N 2 1 302.422 1.593 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170583 781797891 /nfs/dbraw/zinc/79/78/91/781797891.db2.gz PCEBSBLNVNTYKK-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170583 781797898 /nfs/dbraw/zinc/79/78/98/781797898.db2.gz PCEBSBLNVNTYKK-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1=CCCCC1 ZINC001266284372 836045530 /nfs/dbraw/zinc/04/55/30/836045530.db2.gz CGPGYJYFMXKNMV-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1=CCCCC1 ZINC001266284372 836045537 /nfs/dbraw/zinc/04/55/37/836045537.db2.gz CGPGYJYFMXKNMV-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1=CCCCC1 ZINC001266284372 836045550 /nfs/dbraw/zinc/04/55/50/836045550.db2.gz CGPGYJYFMXKNMV-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1=CCCCC1 ZINC001266284372 836045562 /nfs/dbraw/zinc/04/55/62/836045562.db2.gz CGPGYJYFMXKNMV-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001266803440 836858294 /nfs/dbraw/zinc/85/82/94/836858294.db2.gz FYYGNKUYSKDYTK-MRXNPFEDSA-N 2 1 300.406 1.200 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001266856670 836946811 /nfs/dbraw/zinc/94/68/11/836946811.db2.gz WEXRDRZAHGNSOI-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266871453 836976980 /nfs/dbraw/zinc/97/69/80/836976980.db2.gz ZMUNGAZZZDHBCP-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001266984054 837148583 /nfs/dbraw/zinc/14/85/83/837148583.db2.gz UDPKSUZWCDTKDP-NVXWUHKLSA-N 2 1 301.434 1.797 20 30 DDEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267420169 838012155 /nfs/dbraw/zinc/01/21/55/838012155.db2.gz WQOWOCVDXVRERP-ZDUSSCGKSA-N 2 1 310.829 1.554 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267520532 838240203 /nfs/dbraw/zinc/24/02/03/838240203.db2.gz NZDJNZBPPDTCKQ-ROUUACIJSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267520532 838240210 /nfs/dbraw/zinc/24/02/10/838240210.db2.gz NZDJNZBPPDTCKQ-ROUUACIJSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267604646 838423768 /nfs/dbraw/zinc/42/37/68/838423768.db2.gz ZLHZOLHSLJDTPG-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267684819 838638388 /nfs/dbraw/zinc/63/83/88/838638388.db2.gz SIWVPJZUKMQFGY-MAUKXSAKSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267684819 838638394 /nfs/dbraw/zinc/63/83/94/838638394.db2.gz SIWVPJZUKMQFGY-MAUKXSAKSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267684819 838638396 /nfs/dbraw/zinc/63/83/96/838638396.db2.gz SIWVPJZUKMQFGY-MAUKXSAKSA-N 2 1 323.456 1.612 20 30 DDEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)CCC)cc1 ZINC001267939487 839224646 /nfs/dbraw/zinc/22/46/46/839224646.db2.gz ODCWATNAVPRCJX-UHFFFAOYSA-N 2 1 301.434 1.758 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/CNCc1ccccc1C#N ZINC001268574030 840469457 /nfs/dbraw/zinc/46/94/57/840469457.db2.gz IDRDIQYRPWSWIP-LAQIPUCWSA-N 2 1 312.417 1.414 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268574030 840469474 /nfs/dbraw/zinc/46/94/74/840469474.db2.gz IDRDIQYRPWSWIP-LAQIPUCWSA-N 2 1 312.417 1.414 20 30 DDEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268690409 840678049 /nfs/dbraw/zinc/67/80/49/840678049.db2.gz DUOUXMPKNQONHZ-DOTOQJQBSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CN(C)Cc2ccccc2)C1 ZINC001269301929 841490903 /nfs/dbraw/zinc/49/09/03/841490903.db2.gz ONYIZZXSDMYACA-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269301929 841490908 /nfs/dbraw/zinc/49/09/08/841490908.db2.gz ONYIZZXSDMYACA-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269301929 841490911 /nfs/dbraw/zinc/49/09/11/841490911.db2.gz ONYIZZXSDMYACA-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269301929 841490916 /nfs/dbraw/zinc/49/09/16/841490916.db2.gz ONYIZZXSDMYACA-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269301929 841490924 /nfs/dbraw/zinc/49/09/24/841490924.db2.gz ONYIZZXSDMYACA-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001326290563 861261232 /nfs/dbraw/zinc/26/12/32/861261232.db2.gz PLROOIDOIBXHSU-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001326290563 861261248 /nfs/dbraw/zinc/26/12/48/861261248.db2.gz PLROOIDOIBXHSU-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269859939 842111756 /nfs/dbraw/zinc/11/17/56/842111756.db2.gz ZXIJHSHJHBLBJY-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001271167353 843362946 /nfs/dbraw/zinc/36/29/46/843362946.db2.gz LZPSKWIXXXZRCY-RHSMWYFYSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001271167353 843362963 /nfs/dbraw/zinc/36/29/63/843362963.db2.gz LZPSKWIXXXZRCY-RHSMWYFYSA-N 2 1 320.437 1.099 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001271424196 843578910 /nfs/dbraw/zinc/57/89/10/843578910.db2.gz CNCGYYDMXFDJBP-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001272227498 844782061 /nfs/dbraw/zinc/78/20/61/844782061.db2.gz VPCZBTHOMNMEMP-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001272227490 844782159 /nfs/dbraw/zinc/78/21/59/844782159.db2.gz VPCZBTHOMNMEMP-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001409612116 845418542 /nfs/dbraw/zinc/41/85/42/845418542.db2.gz CBHLEBVRUJEKGL-WFASDCNBSA-N 2 1 322.478 1.896 20 30 DDEDMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001409612116 845418549 /nfs/dbraw/zinc/41/85/49/845418549.db2.gz CBHLEBVRUJEKGL-WFASDCNBSA-N 2 1 322.478 1.896 20 30 DDEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001273018544 847790150 /nfs/dbraw/zinc/79/01/50/847790150.db2.gz MBLFHCMKGVRTIK-UKRRQHHQSA-N 2 1 302.422 1.262 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204301 848094634 /nfs/dbraw/zinc/09/46/34/848094634.db2.gz LONZWXDCSHDRTO-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204301 848094644 /nfs/dbraw/zinc/09/46/44/848094644.db2.gz LONZWXDCSHDRTO-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329638 848335475 /nfs/dbraw/zinc/33/54/75/848335475.db2.gz ILFPSYDGJDGGRE-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329638 848335484 /nfs/dbraw/zinc/33/54/84/848335484.db2.gz ILFPSYDGJDGGRE-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034341004 848355202 /nfs/dbraw/zinc/35/52/02/848355202.db2.gz XVERLSHKWSOXLG-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150035435 862039858 /nfs/dbraw/zinc/03/98/58/862039858.db2.gz HHCLCLCRUWKWJE-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150035435 862039868 /nfs/dbraw/zinc/03/98/68/862039868.db2.gz HHCLCLCRUWKWJE-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001410958433 850021054 /nfs/dbraw/zinc/02/10/54/850021054.db2.gz PVXSHWNTWOXMJO-KBPBESRZSA-N 2 1 310.829 1.819 20 30 DDEDMP C=CCCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001327403243 862143845 /nfs/dbraw/zinc/14/38/45/862143845.db2.gz BRPUOSPTPKXAOJ-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)CCC)CCO2 ZINC001273636888 851172066 /nfs/dbraw/zinc/17/20/66/851172066.db2.gz KAWOIJPKENBGFQ-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001273636888 851172072 /nfs/dbraw/zinc/17/20/72/851172072.db2.gz KAWOIJPKENBGFQ-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001273910435 851494981 /nfs/dbraw/zinc/49/49/81/851494981.db2.gz IALIXIADPREFDS-XYJFISCASA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001327568459 862281959 /nfs/dbraw/zinc/28/19/59/862281959.db2.gz HBUGLTIJFMCITA-GOSISDBHSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274111238 851938054 /nfs/dbraw/zinc/93/80/54/851938054.db2.gz UBLIPYRSCMAAII-SFHVURJKSA-N 2 1 308.385 1.392 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274111238 851938065 /nfs/dbraw/zinc/93/80/65/851938065.db2.gz UBLIPYRSCMAAII-SFHVURJKSA-N 2 1 308.385 1.392 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC1CCC1 ZINC001275185207 852873847 /nfs/dbraw/zinc/87/38/47/852873847.db2.gz RACKKPOEWPPZQB-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC1CCC1 ZINC001275185207 852873852 /nfs/dbraw/zinc/87/38/52/852873852.db2.gz RACKKPOEWPPZQB-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001275567448 853364162 /nfs/dbraw/zinc/36/41/62/853364162.db2.gz UMGYUWKYSQQYRX-CYBMUJFWSA-N 2 1 307.463 1.883 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150779222 862463702 /nfs/dbraw/zinc/46/37/02/862463702.db2.gz QCIXZCOZUKUWQQ-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856437 862510956 /nfs/dbraw/zinc/51/09/56/862510956.db2.gz HWPZVMHMAQTDAI-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856437 862510967 /nfs/dbraw/zinc/51/09/67/862510967.db2.gz HWPZVMHMAQTDAI-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111274562 855404659 /nfs/dbraw/zinc/40/46/59/855404659.db2.gz HZLUENNKWBGHAI-VQHPVUNQSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274562 855404662 /nfs/dbraw/zinc/40/46/62/855404662.db2.gz HZLUENNKWBGHAI-VQHPVUNQSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111274562 855404664 /nfs/dbraw/zinc/40/46/64/855404664.db2.gz HZLUENNKWBGHAI-VQHPVUNQSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001151399288 862756712 /nfs/dbraw/zinc/75/67/12/862756712.db2.gz YMLOGTXGUMIQKR-UHFFFAOYSA-N 2 1 323.481 1.339 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454087 858349509 /nfs/dbraw/zinc/34/95/09/858349509.db2.gz FWIYULQWXJUQAS-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276405776 863046916 /nfs/dbraw/zinc/04/69/16/863046916.db2.gz RVMUZUIHFZEDFV-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546577 881442410 /nfs/dbraw/zinc/44/24/10/881442410.db2.gz NVIILRGZIXUBNO-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001224787916 881537051 /nfs/dbraw/zinc/53/70/51/881537051.db2.gz KTEQUQLDVKLJSU-AWEZNQCLSA-N 2 1 302.422 1.440 20 30 DDEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345186 861025700 /nfs/dbraw/zinc/02/57/00/861025700.db2.gz USDKAXGMAXTFBQ-OAHLLOKOSA-N 2 1 308.426 1.221 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154345186 861025717 /nfs/dbraw/zinc/02/57/17/861025717.db2.gz USDKAXGMAXTFBQ-OAHLLOKOSA-N 2 1 308.426 1.221 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001329476349 863689601 /nfs/dbraw/zinc/68/96/01/863689601.db2.gz ZHWURURYXGHZSS-GJZGRUSLSA-N 2 1 320.437 1.085 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001330244009 864184723 /nfs/dbraw/zinc/18/47/23/864184723.db2.gz IESCROUOUOPABS-JKSUJKDBSA-N 2 1 323.481 1.049 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036277 864375188 /nfs/dbraw/zinc/37/51/88/864375188.db2.gz BHYXUZZLIJMRBS-CVEARBPZSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124958 864446094 /nfs/dbraw/zinc/44/60/94/864446094.db2.gz ZSQVQUDCSIHWML-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124958 864446095 /nfs/dbraw/zinc/44/60/95/864446095.db2.gz ZSQVQUDCSIHWML-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124958 864446098 /nfs/dbraw/zinc/44/60/98/864446098.db2.gz ZSQVQUDCSIHWML-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124958 864446099 /nfs/dbraw/zinc/44/60/99/864446099.db2.gz ZSQVQUDCSIHWML-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001330935845 864717379 /nfs/dbraw/zinc/71/73/79/864717379.db2.gz SIVIQGFNSZAZLW-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001330935845 864717391 /nfs/dbraw/zinc/71/73/91/864717391.db2.gz SIVIQGFNSZAZLW-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001330935845 864717402 /nfs/dbraw/zinc/71/74/02/864717402.db2.gz SIVIQGFNSZAZLW-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001330935845 864717411 /nfs/dbraw/zinc/71/74/11/864717411.db2.gz SIVIQGFNSZAZLW-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001331267845 864977165 /nfs/dbraw/zinc/97/71/65/864977165.db2.gz JMKLGZXHBIIOBV-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001331267845 864977173 /nfs/dbraw/zinc/97/71/73/864977173.db2.gz JMKLGZXHBIIOBV-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001331374338 865042814 /nfs/dbraw/zinc/04/28/14/865042814.db2.gz JROFCANJPGTFPJ-IAGOWNOFSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001331374338 865042819 /nfs/dbraw/zinc/04/28/19/865042819.db2.gz JROFCANJPGTFPJ-IAGOWNOFSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001331374339 865043107 /nfs/dbraw/zinc/04/31/07/865043107.db2.gz JROFCANJPGTFPJ-IRXDYDNUSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC001331374339 865043110 /nfs/dbraw/zinc/04/31/10/865043110.db2.gz JROFCANJPGTFPJ-IRXDYDNUSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001331471423 865106544 /nfs/dbraw/zinc/10/65/44/865106544.db2.gz ZRLWRTDUEAHOLA-WBVHZDCISA-N 2 1 314.433 1.116 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccnc1 ZINC001331471423 865106549 /nfs/dbraw/zinc/10/65/49/865106549.db2.gz ZRLWRTDUEAHOLA-WBVHZDCISA-N 2 1 314.433 1.116 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159726513 865487217 /nfs/dbraw/zinc/48/72/17/865487217.db2.gz ZBLZVOWFHIKDLB-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159726513 865487222 /nfs/dbraw/zinc/48/72/22/865487222.db2.gz ZBLZVOWFHIKDLB-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159726513 865487226 /nfs/dbraw/zinc/48/72/26/865487226.db2.gz ZBLZVOWFHIKDLB-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159726513 865487231 /nfs/dbraw/zinc/48/72/31/865487231.db2.gz ZBLZVOWFHIKDLB-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3ccnc3)CCC[C@H]12 ZINC001332111448 865585641 /nfs/dbraw/zinc/58/56/41/865585641.db2.gz NALOBQZADILDAF-SOLBZPMBSA-N 2 1 314.433 1.971 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001323596560 866711672 /nfs/dbraw/zinc/71/16/72/866711672.db2.gz NTVUANQZKJFLKI-UHFFFAOYSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001333644452 866896406 /nfs/dbraw/zinc/89/64/06/866896406.db2.gz XHWCBLRMPZFFRW-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001333644452 866896422 /nfs/dbraw/zinc/89/64/22/866896422.db2.gz XHWCBLRMPZFFRW-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001333644452 866896442 /nfs/dbraw/zinc/89/64/42/866896442.db2.gz XHWCBLRMPZFFRW-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001333644452 866896461 /nfs/dbraw/zinc/89/64/61/866896461.db2.gz XHWCBLRMPZFFRW-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001333644452 866896482 /nfs/dbraw/zinc/89/64/82/866896482.db2.gz XHWCBLRMPZFFRW-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001324287411 867182173 /nfs/dbraw/zinc/18/21/73/867182173.db2.gz ZWKOJAFERNELAX-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001324439639 867279360 /nfs/dbraw/zinc/27/93/60/867279360.db2.gz KQLOKQQEHMXAAW-HNNXBMFYSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001324439639 867279382 /nfs/dbraw/zinc/27/93/82/867279382.db2.gz KQLOKQQEHMXAAW-HNNXBMFYSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CCF)CC1 ZINC001324441483 867279546 /nfs/dbraw/zinc/27/95/46/867279546.db2.gz OPFZFNQIPQYHON-HOTGVXAUSA-N 2 1 323.456 1.755 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001325137695 867808580 /nfs/dbraw/zinc/80/85/80/867808580.db2.gz HWZQKJNRUAYHEJ-FUHWJXTLSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001325137695 867808592 /nfs/dbraw/zinc/80/85/92/867808592.db2.gz HWZQKJNRUAYHEJ-FUHWJXTLSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001325137695 867808606 /nfs/dbraw/zinc/80/86/06/867808606.db2.gz HWZQKJNRUAYHEJ-FUHWJXTLSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001162996933 867981525 /nfs/dbraw/zinc/98/15/25/867981525.db2.gz HFSLDVCUPLOHFH-SFHVURJKSA-N 2 1 315.461 1.785 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578856 869302391 /nfs/dbraw/zinc/30/23/91/869302391.db2.gz WGNCOYNTFSGMHI-HNNXBMFYSA-N 2 1 316.449 1.906 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](F)CC)CC1 ZINC001165545120 869636191 /nfs/dbraw/zinc/63/61/91/869636191.db2.gz COCGQRQXHWTKHL-HOTGVXAUSA-N 2 1 323.456 1.708 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@@H](F)CC)CC1 ZINC001165545120 869636195 /nfs/dbraw/zinc/63/61/95/869636195.db2.gz COCGQRQXHWTKHL-HOTGVXAUSA-N 2 1 323.456 1.708 20 30 DDEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001317014938 870121176 /nfs/dbraw/zinc/12/11/76/870121176.db2.gz DRYVAQBEYCAJLC-ZWKOTPCHSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001317038257 870148167 /nfs/dbraw/zinc/14/81/67/870148167.db2.gz HKLHFMZAFJXPHH-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317038257 870148175 /nfs/dbraw/zinc/14/81/75/870148175.db2.gz HKLHFMZAFJXPHH-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317038257 870148179 /nfs/dbraw/zinc/14/81/79/870148179.db2.gz HKLHFMZAFJXPHH-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001166708290 870180110 /nfs/dbraw/zinc/18/01/10/870180110.db2.gz OCLVVYRUAMTKNG-YOEHRIQHSA-N 2 1 314.433 1.352 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166843378 870304488 /nfs/dbraw/zinc/30/44/88/870304488.db2.gz RCOQEPFHRYSMGF-HOTGVXAUSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203507771 870604281 /nfs/dbraw/zinc/60/42/81/870604281.db2.gz UYKZXHRHOJLTOZ-JKSUJKDBSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317321916 870637704 /nfs/dbraw/zinc/63/77/04/870637704.db2.gz KUMMFKULUDSGPI-CVEARBPZSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317383339 870749440 /nfs/dbraw/zinc/74/94/40/870749440.db2.gz CLHIYOYOGKWBHE-GOSISDBHSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC001339878769 870756108 /nfs/dbraw/zinc/75/61/08/870756108.db2.gz DVGVJAJERBYVNG-UHFFFAOYSA-N 2 1 303.431 1.397 20 30 DDEDMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)C1CCC1 ZINC001317595628 871165520 /nfs/dbraw/zinc/16/55/20/871165520.db2.gz GGYJETAOJNBYDX-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCCF)C2)CC1 ZINC001317383693 871263888 /nfs/dbraw/zinc/26/38/88/871263888.db2.gz GLTJNLNGDHSMQO-QGZVFWFLSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1OC ZINC001205221900 871440286 /nfs/dbraw/zinc/44/02/86/871440286.db2.gz XUHXWADKPYTKDR-SFHVURJKSA-N 2 1 318.417 1.383 20 30 DDEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001317877285 871613758 /nfs/dbraw/zinc/61/37/58/871613758.db2.gz WMVRPQPDVFIYPM-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001317877285 871613767 /nfs/dbraw/zinc/61/37/67/871613767.db2.gz WMVRPQPDVFIYPM-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001317877285 871613773 /nfs/dbraw/zinc/61/37/73/871613773.db2.gz WMVRPQPDVFIYPM-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001316746681 871987333 /nfs/dbraw/zinc/98/73/33/871987333.db2.gz FGHIAYYOJAQLRU-CVEARBPZSA-N 2 1 311.470 1.044 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001226860675 882693021 /nfs/dbraw/zinc/69/30/21/882693021.db2.gz PCLPSKPTIMLQJX-OAGGEKHMSA-N 2 1 309.429 1.461 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCF ZINC001226860675 882693027 /nfs/dbraw/zinc/69/30/27/882693027.db2.gz PCLPSKPTIMLQJX-OAGGEKHMSA-N 2 1 309.429 1.461 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014200 873748165 /nfs/dbraw/zinc/74/81/65/873748165.db2.gz NHPADNZQGKVLOH-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP Nc1ccccc1C(NO)=[NH+]c1ccnc(N2CC[NH2+]CC2)c1 ZINC001210266951 875302302 /nfs/dbraw/zinc/30/23/02/875302302.db2.gz TVCIWYCPQNJVSP-UHFFFAOYSA-N 2 1 312.377 1.131 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427174 875383457 /nfs/dbraw/zinc/38/34/57/875383457.db2.gz PULWERBPEPTJMB-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427174 875383472 /nfs/dbraw/zinc/38/34/72/875383472.db2.gz PULWERBPEPTJMB-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376169 875780447 /nfs/dbraw/zinc/78/04/47/875780447.db2.gz HTAPJKKFMKLOLO-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211376169 875780450 /nfs/dbraw/zinc/78/04/50/875780450.db2.gz HTAPJKKFMKLOLO-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213438155 875939569 /nfs/dbraw/zinc/93/95/69/875939569.db2.gz QICBMGZOLMADMM-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213438155 875939575 /nfs/dbraw/zinc/93/95/75/875939575.db2.gz QICBMGZOLMADMM-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001213438155 875939579 /nfs/dbraw/zinc/93/95/79/875939579.db2.gz QICBMGZOLMADMM-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588982 875988542 /nfs/dbraw/zinc/98/85/42/875988542.db2.gz YJOGLUYJBOJGEH-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588982 875988549 /nfs/dbraw/zinc/98/85/49/875988549.db2.gz YJOGLUYJBOJGEH-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588982 875988556 /nfs/dbraw/zinc/98/85/56/875988556.db2.gz YJOGLUYJBOJGEH-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931111 876105389 /nfs/dbraw/zinc/10/53/89/876105389.db2.gz DGHYIDJTEHPXRK-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931111 876105390 /nfs/dbraw/zinc/10/53/90/876105390.db2.gz DGHYIDJTEHPXRK-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214850178 876481568 /nfs/dbraw/zinc/48/15/68/876481568.db2.gz QQVSIXTZXDODTG-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001379287376 876745124 /nfs/dbraw/zinc/74/51/24/876745124.db2.gz QIIIEIYKTXTJAX-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801640 877061230 /nfs/dbraw/zinc/06/12/30/877061230.db2.gz PNRXMZKJJBWCLV-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801640 877061240 /nfs/dbraw/zinc/06/12/40/877061240.db2.gz PNRXMZKJJBWCLV-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993486 877106884 /nfs/dbraw/zinc/10/68/84/877106884.db2.gz HVDUXRVMKJAINU-SJLPKXTDSA-N 2 1 313.445 1.578 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993486 877106892 /nfs/dbraw/zinc/10/68/92/877106892.db2.gz HVDUXRVMKJAINU-SJLPKXTDSA-N 2 1 313.445 1.578 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374272608 912393359 /nfs/dbraw/zinc/39/33/59/912393359.db2.gz YCPRZULEXUHWIL-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220583110 879115214 /nfs/dbraw/zinc/11/52/14/879115214.db2.gz OWPOUQSHBIWHLG-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C1 ZINC001221657450 879991968 /nfs/dbraw/zinc/99/19/68/879991968.db2.gz XBJGMTXYZMMYDN-HZPDHXFCSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657450 879991976 /nfs/dbraw/zinc/99/19/76/879991976.db2.gz XBJGMTXYZMMYDN-HZPDHXFCSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221657450 879991994 /nfs/dbraw/zinc/99/19/94/879991994.db2.gz XBJGMTXYZMMYDN-HZPDHXFCSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224131153 881233893 /nfs/dbraw/zinc/23/38/93/881233893.db2.gz WRGQBNPXJNYCGL-ZACQAIPSSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131153 881233907 /nfs/dbraw/zinc/23/39/07/881233907.db2.gz WRGQBNPXJNYCGL-ZACQAIPSSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131153 881233922 /nfs/dbraw/zinc/23/39/22/881233922.db2.gz WRGQBNPXJNYCGL-ZACQAIPSSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001228106235 883336510 /nfs/dbraw/zinc/33/65/10/883336510.db2.gz SOLMEXWNQZWSHJ-UHFFFAOYSA-N 2 1 320.437 1.897 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142309 883843257 /nfs/dbraw/zinc/84/32/57/883843257.db2.gz QLUJFVZEORUHTM-HZPDHXFCSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001229186763 883863573 /nfs/dbraw/zinc/86/35/73/883863573.db2.gz ZSVKCQZFAQTQFG-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP Cc1cc(C#N)ccc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001233083126 886779569 /nfs/dbraw/zinc/77/95/69/886779569.db2.gz WLDOLEDEUWYRTR-UHFFFAOYSA-N 2 1 300.450 1.936 20 30 DDEDMP N#CCCC[NH+]1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277943015 888625079 /nfs/dbraw/zinc/62/50/79/888625079.db2.gz JYYIIZGXXROEGP-UHFFFAOYSA-N 2 1 300.406 1.989 20 30 DDEDMP Cn1cc(C[N@H+]2CCC3(CN(CCC[NH+](C)C)C3)C2)cc1C#N ZINC001278049917 889497613 /nfs/dbraw/zinc/49/76/13/889497613.db2.gz VTDJMRLKDIJLJY-UHFFFAOYSA-N 2 1 315.465 1.356 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001278140224 889832830 /nfs/dbraw/zinc/83/28/30/889832830.db2.gz ZBJDWANATPCBDB-NVXWUHKLSA-N 2 1 323.481 1.426 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001278451137 892655445 /nfs/dbraw/zinc/65/54/45/892655445.db2.gz HGVBGSGPMKZANX-SOLBZPMBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278451137 892655454 /nfs/dbraw/zinc/65/54/54/892655454.db2.gz HGVBGSGPMKZANX-SOLBZPMBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278451137 892655463 /nfs/dbraw/zinc/65/54/63/892655463.db2.gz HGVBGSGPMKZANX-SOLBZPMBSA-N 2 1 303.450 1.607 20 30 DDEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278526294 894078782 /nfs/dbraw/zinc/07/87/82/894078782.db2.gz HUVKCTXEOAJOEP-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278526294 894078798 /nfs/dbraw/zinc/07/87/98/894078798.db2.gz HUVKCTXEOAJOEP-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001252490546 895210730 /nfs/dbraw/zinc/21/07/30/895210730.db2.gz AUGUIVJGUQJZJK-WNRNVDISSA-N 2 1 302.418 1.270 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001252490546 895210739 /nfs/dbraw/zinc/21/07/39/895210739.db2.gz AUGUIVJGUQJZJK-WNRNVDISSA-N 2 1 302.418 1.270 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367772978 897737755 /nfs/dbraw/zinc/73/77/55/897737755.db2.gz WAIJJXHFPXBQCX-XJKSGUPXSA-N 2 1 300.406 1.104 20 30 DDEDMP C#CC[N@@H+](C[C@H](O)C(C)C)C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC001262019517 899897828 /nfs/dbraw/zinc/89/78/28/899897828.db2.gz UOHBKNPDXVBKON-MSOLQXFVSA-N 2 1 310.482 1.420 20 30 DDEDMP C#CC[N@H+](C[C@H](O)C(C)C)C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC001262019517 899897835 /nfs/dbraw/zinc/89/78/35/899897835.db2.gz UOHBKNPDXVBKON-MSOLQXFVSA-N 2 1 310.482 1.420 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001390696021 899963752 /nfs/dbraw/zinc/96/37/52/899963752.db2.gz UHNPLPPOYOLITO-TZMCWYRMSA-N 2 1 324.856 1.991 20 30 DDEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001265043284 901477850 /nfs/dbraw/zinc/47/78/50/901477850.db2.gz HXYPGRRJODJWGH-KRWDZBQOSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001265043284 901477856 /nfs/dbraw/zinc/47/78/56/901477856.db2.gz HXYPGRRJODJWGH-KRWDZBQOSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001265043284 901477861 /nfs/dbraw/zinc/47/78/61/901477861.db2.gz HXYPGRRJODJWGH-KRWDZBQOSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH+]1CCC(N(CCC)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001265338929 901900111 /nfs/dbraw/zinc/90/01/11/901900111.db2.gz PZSUDXQCGUJZAH-UHFFFAOYSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001265558161 902132674 /nfs/dbraw/zinc/13/26/74/902132674.db2.gz OTKGSNAJXMRWLW-OKILXGFUSA-N 2 1 316.405 1.144 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cccs1 ZINC001265785657 902405832 /nfs/dbraw/zinc/40/58/32/902405832.db2.gz FOROMQRNOFFRTG-ZBFHGGJFSA-N 2 1 319.474 1.483 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCc1cccs1 ZINC001265785657 902405837 /nfs/dbraw/zinc/40/58/37/902405837.db2.gz FOROMQRNOFFRTG-ZBFHGGJFSA-N 2 1 319.474 1.483 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266008674 902746209 /nfs/dbraw/zinc/74/62/09/902746209.db2.gz GZWOLDOKAREHDS-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001266142837 903010325 /nfs/dbraw/zinc/01/03/25/903010325.db2.gz IHFXZNIDTOZLOG-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001266142837 903010341 /nfs/dbraw/zinc/01/03/41/903010341.db2.gz IHFXZNIDTOZLOG-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001266142837 903010357 /nfs/dbraw/zinc/01/03/57/903010357.db2.gz IHFXZNIDTOZLOG-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001392919625 905691758 /nfs/dbraw/zinc/69/17/58/905691758.db2.gz RYLFUXFANWNOTK-ZIAGYGMSSA-N 2 1 311.857 1.994 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001284293620 908784943 /nfs/dbraw/zinc/78/49/43/908784943.db2.gz SDHPJGHMJXSSSC-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284492444 909076767 /nfs/dbraw/zinc/07/67/67/909076767.db2.gz KEDIMJDSDWULHT-IAGOWNOFSA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001284510274 909115119 /nfs/dbraw/zinc/11/51/19/909115119.db2.gz WLVQFGNDFOVKJE-HRCADAONSA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001284510274 909115126 /nfs/dbraw/zinc/11/51/26/909115126.db2.gz WLVQFGNDFOVKJE-HRCADAONSA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001284510274 909115131 /nfs/dbraw/zinc/11/51/31/909115131.db2.gz WLVQFGNDFOVKJE-HRCADAONSA-N 2 1 311.470 1.044 20 30 DDEDMP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001373828074 911128023 /nfs/dbraw/zinc/12/80/23/911128023.db2.gz BKBLOMNTZCOGQG-SJORKVTESA-N 2 1 314.433 1.494 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001376781746 919357391 /nfs/dbraw/zinc/35/73/91/919357391.db2.gz ULHOCNCGUWTZLR-ZDUSSCGKSA-N 2 1 311.389 1.358 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092806310 282396370 /nfs/dbraw/zinc/39/63/70/282396370.db2.gz AQSCOLZLIUHWBX-WBVHZDCISA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092806310 282396373 /nfs/dbraw/zinc/39/63/73/282396373.db2.gz AQSCOLZLIUHWBX-WBVHZDCISA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092806310 282396375 /nfs/dbraw/zinc/39/63/75/282396375.db2.gz AQSCOLZLIUHWBX-WBVHZDCISA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092806310 282396378 /nfs/dbraw/zinc/39/63/78/282396378.db2.gz AQSCOLZLIUHWBX-WBVHZDCISA-N 2 1 318.465 1.697 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(C#N)n1 ZINC000602654441 359102733 /nfs/dbraw/zinc/10/27/33/359102733.db2.gz BOQZSPBGSAPDPZ-SFHVURJKSA-N 2 1 315.465 1.801 20 30 DDEDMP CN(C)c1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc[nH+]1 ZINC000603144180 359433083 /nfs/dbraw/zinc/43/30/83/359433083.db2.gz UPGHRJHXZUBQNY-UHFFFAOYSA-N 2 1 318.425 1.847 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000272028198 209397521 /nfs/dbraw/zinc/39/75/21/209397521.db2.gz OJISPADRMQMWDC-WBVHZDCISA-N 2 1 301.434 1.789 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000272028198 209397525 /nfs/dbraw/zinc/39/75/25/209397525.db2.gz OJISPADRMQMWDC-WBVHZDCISA-N 2 1 301.434 1.789 20 30 DDEDMP C[NH+](C)CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000330523758 223123583 /nfs/dbraw/zinc/12/35/83/223123583.db2.gz PCZYKIQRSZOFPI-UHFFFAOYSA-N 2 1 306.454 1.603 20 30 DDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130526175 407694917 /nfs/dbraw/zinc/69/49/17/407694917.db2.gz FHCAFAOQBDWDHI-AWEZNQCLSA-N 2 1 305.426 1.522 20 30 DDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130526175 407694923 /nfs/dbraw/zinc/69/49/23/407694923.db2.gz FHCAFAOQBDWDHI-AWEZNQCLSA-N 2 1 305.426 1.522 20 30 DDEDMP CCc1cnc(CNC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)=[NH+]C)s1 ZINC000131009314 407718557 /nfs/dbraw/zinc/71/85/57/407718557.db2.gz VJSCWNQJPIZWJM-VXGBXAGGSA-N 2 1 321.494 1.996 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000171907787 407795091 /nfs/dbraw/zinc/79/50/91/407795091.db2.gz DJHWLEOZYVCEQL-INIZCTEOSA-N 2 1 308.470 1.810 20 30 DDEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)N(C)C ZINC000262672425 407896843 /nfs/dbraw/zinc/89/68/43/407896843.db2.gz RRQLVKIAPSTTTB-DZGCQCFKSA-N 2 1 306.458 1.282 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000262696984 407903777 /nfs/dbraw/zinc/90/37/77/407903777.db2.gz IMZWJUDTSXMZFR-QGZVFWFLSA-N 2 1 316.449 1.557 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000262696984 407903782 /nfs/dbraw/zinc/90/37/82/407903782.db2.gz IMZWJUDTSXMZFR-QGZVFWFLSA-N 2 1 316.449 1.557 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CSCC#N ZINC000337578378 410872150 /nfs/dbraw/zinc/87/21/50/410872150.db2.gz LBSWNHRDVKEYAU-AWEZNQCLSA-N 2 1 312.483 1.118 20 30 DDEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000331230236 411029859 /nfs/dbraw/zinc/02/98/59/411029859.db2.gz PQAGMYBTAOEXAP-KGLIPLIRSA-N 2 1 314.474 1.018 20 30 DDEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000159019002 287264607 /nfs/dbraw/zinc/26/46/07/287264607.db2.gz DXKLQYJSNKMDJS-OAHLLOKOSA-N 2 1 306.454 1.603 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000159019002 287264608 /nfs/dbraw/zinc/26/46/08/287264608.db2.gz DXKLQYJSNKMDJS-OAHLLOKOSA-N 2 1 306.454 1.603 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(C)cc1 ZINC000264135464 222323925 /nfs/dbraw/zinc/32/39/25/222323925.db2.gz ZPATZHJZKXCALZ-JKSUJKDBSA-N 2 1 304.438 1.417 20 30 DDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262523760 222286123 /nfs/dbraw/zinc/28/61/23/222286123.db2.gz JTIIXMHNYDVNLM-INIZCTEOSA-N 2 1 301.438 1.148 20 30 DDEDMP C=CCN1CC[C@@H]([NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)C1=O ZINC000375613160 418662625 /nfs/dbraw/zinc/66/26/25/418662625.db2.gz QBTQOXVMIRNUFL-DOTOQJQBSA-N 2 1 317.477 1.970 20 30 DDEDMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424181357 228241556 /nfs/dbraw/zinc/24/15/56/228241556.db2.gz QVTZBTDCEBHKRH-AWEZNQCLSA-N 2 1 303.410 1.222 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420973400 419394036 /nfs/dbraw/zinc/39/40/36/419394036.db2.gz CFZBOLCABQWTGS-GOSISDBHSA-N 2 1 309.498 1.806 20 30 DDEDMP C=CC[N@H+](CCC[NH2+]C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000435879321 420291365 /nfs/dbraw/zinc/29/13/65/420291365.db2.gz CDBNMSMOCJJOKZ-AWEZNQCLSA-N 2 1 300.410 1.821 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000454460374 420861918 /nfs/dbraw/zinc/86/19/18/420861918.db2.gz IJHCHVCREXQIMX-GASCZTMLSA-N 2 1 308.470 1.761 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000491637640 421200417 /nfs/dbraw/zinc/20/04/17/421200417.db2.gz WIADQVDTPHEDFZ-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000491637640 421200419 /nfs/dbraw/zinc/20/04/19/421200419.db2.gz WIADQVDTPHEDFZ-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000491637640 421200421 /nfs/dbraw/zinc/20/04/21/421200421.db2.gz WIADQVDTPHEDFZ-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(CC#N)CC3)cn2)CC1 ZINC000569785031 421628039 /nfs/dbraw/zinc/62/80/39/421628039.db2.gz ROHJCYWGVCZIJM-UHFFFAOYSA-N 2 1 300.410 1.012 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000491484367 275380431 /nfs/dbraw/zinc/38/04/31/275380431.db2.gz INHPZUCCZAAVCV-UHFFFAOYSA-N 2 1 313.445 1.506 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000491484367 275380432 /nfs/dbraw/zinc/38/04/32/275380432.db2.gz INHPZUCCZAAVCV-UHFFFAOYSA-N 2 1 313.445 1.506 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000491484367 275380433 /nfs/dbraw/zinc/38/04/33/275380433.db2.gz INHPZUCCZAAVCV-UHFFFAOYSA-N 2 1 313.445 1.506 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000338039959 526431835 /nfs/dbraw/zinc/43/18/35/526431835.db2.gz IDANMGPJSFANCX-UHFFFAOYSA-N 2 1 305.426 1.531 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978612254 696423564 /nfs/dbraw/zinc/42/35/64/696423564.db2.gz FPVXWRKTAYTYHA-TVFCKZIOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978612254 696423566 /nfs/dbraw/zinc/42/35/66/696423566.db2.gz FPVXWRKTAYTYHA-TVFCKZIOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978612254 696423567 /nfs/dbraw/zinc/42/35/67/696423567.db2.gz FPVXWRKTAYTYHA-TVFCKZIOSA-N 2 1 319.493 1.979 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000153634712 696919176 /nfs/dbraw/zinc/91/91/76/696919176.db2.gz DFHCTLCOZGUKIW-ZIAGYGMSSA-N 2 1 308.470 1.472 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981803177 696922378 /nfs/dbraw/zinc/92/23/78/696922378.db2.gz TXNKOBPZPRFWTK-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981803177 696922379 /nfs/dbraw/zinc/92/23/79/696922379.db2.gz TXNKOBPZPRFWTK-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981803177 696922381 /nfs/dbraw/zinc/92/23/81/696922381.db2.gz TXNKOBPZPRFWTK-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820321 696930559 /nfs/dbraw/zinc/93/05/59/696930559.db2.gz QLFBOIMIDLPJJF-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820321 696930561 /nfs/dbraw/zinc/93/05/61/696930561.db2.gz QLFBOIMIDLPJJF-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820321 696930564 /nfs/dbraw/zinc/93/05/64/696930564.db2.gz QLFBOIMIDLPJJF-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820321 696930567 /nfs/dbraw/zinc/93/05/67/696930567.db2.gz QLFBOIMIDLPJJF-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981332164 697068290 /nfs/dbraw/zinc/06/82/90/697068290.db2.gz RKHSWOWNXPOONZ-GOSISDBHSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981332164 697068292 /nfs/dbraw/zinc/06/82/92/697068292.db2.gz RKHSWOWNXPOONZ-GOSISDBHSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981332164 697068293 /nfs/dbraw/zinc/06/82/93/697068293.db2.gz RKHSWOWNXPOONZ-GOSISDBHSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000985508675 697522000 /nfs/dbraw/zinc/52/20/00/697522000.db2.gz CFPCSHHOSLIUMW-UHFFFAOYSA-N 2 1 310.401 1.812 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000985695154 697557833 /nfs/dbraw/zinc/55/78/33/697557833.db2.gz SJCDEWNSKBOKOW-UHFFFAOYSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)CCC)CC2)CC1 ZINC000985802504 697576656 /nfs/dbraw/zinc/57/66/56/697576656.db2.gz SCZJJIFDRTVVPU-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000986455522 697817859 /nfs/dbraw/zinc/81/78/59/697817859.db2.gz KXECRTCGSKJQBR-GXTWGEPZSA-N 2 1 306.410 1.505 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000303772461 698606584 /nfs/dbraw/zinc/60/65/84/698606584.db2.gz DOZILWXICILRID-CQSZACIVSA-N 2 1 308.426 1.747 20 30 DDEDMP COCC[N@@H+](C)CCOc1cccc(CNC(=[NH2+])NC(C)C)c1 ZINC000303971794 698611996 /nfs/dbraw/zinc/61/19/96/698611996.db2.gz FBIQRJJUCVGUPT-UHFFFAOYSA-N 2 1 322.453 1.456 20 30 DDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303986904 698612657 /nfs/dbraw/zinc/61/26/57/698612657.db2.gz UYCWPEKXMMLSIM-UHFFFAOYSA-N 2 1 321.444 1.603 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990788094 699159587 /nfs/dbraw/zinc/15/95/87/699159587.db2.gz GRCVITTULBNCQQ-DODZYUBVSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990788094 699159589 /nfs/dbraw/zinc/15/95/89/699159589.db2.gz GRCVITTULBNCQQ-DODZYUBVSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990788094 699159591 /nfs/dbraw/zinc/15/95/91/699159591.db2.gz GRCVITTULBNCQQ-DODZYUBVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000819335515 704109250 /nfs/dbraw/zinc/10/92/50/704109250.db2.gz ZUHWSVBDCKHSPP-SFHVURJKSA-N 2 1 318.461 1.896 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1c(C)ccc(C)c1C ZINC000819335515 704109252 /nfs/dbraw/zinc/10/92/52/704109252.db2.gz ZUHWSVBDCKHSPP-SFHVURJKSA-N 2 1 318.461 1.896 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876715584 705835431 /nfs/dbraw/zinc/83/54/31/705835431.db2.gz QDQUFDNYCYNFBF-FRRDWIJNSA-N 2 1 317.861 1.460 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876715584 705835433 /nfs/dbraw/zinc/83/54/33/705835433.db2.gz QDQUFDNYCYNFBF-FRRDWIJNSA-N 2 1 317.861 1.460 20 30 DDEDMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876896847 705912886 /nfs/dbraw/zinc/91/28/86/705912886.db2.gz BZCUIXNQBSTPPL-KRWDZBQOSA-N 2 1 312.417 1.298 20 30 DDEDMP C#CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000829779476 706394807 /nfs/dbraw/zinc/39/48/07/706394807.db2.gz WGWNWNZNOXHDPT-OAHLLOKOSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCN1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000880258528 706922679 /nfs/dbraw/zinc/92/26/79/706922679.db2.gz AHWDLZVCUOBMDB-ZBFHGGJFSA-N 2 1 300.406 1.379 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000880258528 706922683 /nfs/dbraw/zinc/92/26/83/706922683.db2.gz AHWDLZVCUOBMDB-ZBFHGGJFSA-N 2 1 300.406 1.379 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000884124815 708150043 /nfs/dbraw/zinc/15/00/43/708150043.db2.gz HTKQGMURNFNPNS-JYJNAYRXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000884124815 708150047 /nfs/dbraw/zinc/15/00/47/708150047.db2.gz HTKQGMURNFNPNS-JYJNAYRXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000884124815 708150051 /nfs/dbraw/zinc/15/00/51/708150051.db2.gz HTKQGMURNFNPNS-JYJNAYRXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000884124815 708150053 /nfs/dbraw/zinc/15/00/53/708150053.db2.gz HTKQGMURNFNPNS-JYJNAYRXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000884196780 708183476 /nfs/dbraw/zinc/18/34/76/708183476.db2.gz AVPUFHYDCNDZGN-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000884196780 708183478 /nfs/dbraw/zinc/18/34/78/708183478.db2.gz AVPUFHYDCNDZGN-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000890364890 709836955 /nfs/dbraw/zinc/83/69/55/709836955.db2.gz KRYXGUYLYPETGJ-MRXNPFEDSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000890364890 709836963 /nfs/dbraw/zinc/83/69/63/709836963.db2.gz KRYXGUYLYPETGJ-MRXNPFEDSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000890364480 709837550 /nfs/dbraw/zinc/83/75/50/709837550.db2.gz ASQIWPCPKSJXDA-FUHWJXTLSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000890364480 709837556 /nfs/dbraw/zinc/83/75/56/709837556.db2.gz ASQIWPCPKSJXDA-FUHWJXTLSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000890364480 709837561 /nfs/dbraw/zinc/83/75/61/709837561.db2.gz ASQIWPCPKSJXDA-FUHWJXTLSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000890364480 709837564 /nfs/dbraw/zinc/83/75/64/709837564.db2.gz ASQIWPCPKSJXDA-FUHWJXTLSA-N 2 1 318.465 1.211 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3CO)CC2)cc1 ZINC000891505070 710221808 /nfs/dbraw/zinc/22/18/08/710221808.db2.gz FUTVIPRAXPYNNS-UHFFFAOYSA-N 2 1 308.385 1.768 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCCC)CC1 ZINC000922510665 714074410 /nfs/dbraw/zinc/07/44/10/714074410.db2.gz OKQXZXYCQVSNES-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142628 715013469 /nfs/dbraw/zinc/01/34/69/715013469.db2.gz SQBZXFJDMURJIF-CBZIJGRNSA-N 2 1 323.481 1.090 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957644870 715981661 /nfs/dbraw/zinc/98/16/61/715981661.db2.gz LZGNOSNOFIOLBF-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960997305 716757682 /nfs/dbraw/zinc/75/76/82/716757682.db2.gz XRTJNRAHOIKJTQ-QLPKVWCKSA-N 2 1 323.400 1.503 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961267333 716888333 /nfs/dbraw/zinc/88/83/33/716888333.db2.gz HKYGTKNBLNCYAP-CVEARBPZSA-N 2 1 314.433 1.156 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736701 716936542 /nfs/dbraw/zinc/93/65/42/716936542.db2.gz IRYMVVRMZLIJTE-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736701 716936533 /nfs/dbraw/zinc/93/65/33/716936533.db2.gz IRYMVVRMZLIJTE-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736701 716936537 /nfs/dbraw/zinc/93/65/37/716936537.db2.gz IRYMVVRMZLIJTE-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC)CC2(C)C)CC1 ZINC000941239885 717137395 /nfs/dbraw/zinc/13/73/95/717137395.db2.gz XFQQCFICSOKNKL-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000961793385 717209365 /nfs/dbraw/zinc/20/93/65/717209365.db2.gz YNAVJOKRWYWFMG-FOLVSLTJSA-N 2 1 316.405 1.116 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000961793385 717209370 /nfs/dbraw/zinc/20/93/70/717209370.db2.gz YNAVJOKRWYWFMG-FOLVSLTJSA-N 2 1 316.405 1.116 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000962277623 717385480 /nfs/dbraw/zinc/38/54/80/717385480.db2.gz ZIFLEOQVTKPCEJ-XDNAFOTISA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962277623 717385483 /nfs/dbraw/zinc/38/54/83/717385483.db2.gz ZIFLEOQVTKPCEJ-XDNAFOTISA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962277623 717385486 /nfs/dbraw/zinc/38/54/86/717385486.db2.gz ZIFLEOQVTKPCEJ-XDNAFOTISA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942256344 717580544 /nfs/dbraw/zinc/58/05/44/717580544.db2.gz DMJVFNQOCNBPGE-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621228 718855524 /nfs/dbraw/zinc/85/55/24/718855524.db2.gz QLXHAQLUQHAVNM-IYBDPMFKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437290 719163200 /nfs/dbraw/zinc/16/32/00/719163200.db2.gz QHLYAPCJZFLRIU-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947438531 719163573 /nfs/dbraw/zinc/16/35/73/719163573.db2.gz XDYFPLHOPJLPQB-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771768 719266079 /nfs/dbraw/zinc/26/60/79/719266079.db2.gz RBSAQZRGBQSLMZ-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771768 719266081 /nfs/dbraw/zinc/26/60/81/719266081.db2.gz RBSAQZRGBQSLMZ-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948071580 719350369 /nfs/dbraw/zinc/35/03/69/719350369.db2.gz ZAOUHAZVIQCOBH-WBVHZDCISA-N 2 1 313.445 1.964 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948270301 719425810 /nfs/dbraw/zinc/42/58/10/719425810.db2.gz YENJQHOPBPUALM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948270301 719425813 /nfs/dbraw/zinc/42/58/13/719425813.db2.gz YENJQHOPBPUALM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948270301 719425817 /nfs/dbraw/zinc/42/58/17/719425817.db2.gz YENJQHOPBPUALM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948270301 719425821 /nfs/dbraw/zinc/42/58/21/719425821.db2.gz YENJQHOPBPUALM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948541819 719538289 /nfs/dbraw/zinc/53/82/89/719538289.db2.gz ITWNEZFGEIRZNC-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948541819 719538293 /nfs/dbraw/zinc/53/82/93/719538293.db2.gz ITWNEZFGEIRZNC-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541819 719538294 /nfs/dbraw/zinc/53/82/94/719538294.db2.gz ITWNEZFGEIRZNC-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541819 719538296 /nfs/dbraw/zinc/53/82/96/719538296.db2.gz ITWNEZFGEIRZNC-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553205 719543676 /nfs/dbraw/zinc/54/36/76/719543676.db2.gz FPDNIYYBXWPJTI-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553205 719543678 /nfs/dbraw/zinc/54/36/78/719543678.db2.gz FPDNIYYBXWPJTI-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553205 719543680 /nfs/dbraw/zinc/54/36/80/719543680.db2.gz FPDNIYYBXWPJTI-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC000948825836 719732889 /nfs/dbraw/zinc/73/28/89/719732889.db2.gz UKBCYOHIWOQNSG-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC000948825836 719732893 /nfs/dbraw/zinc/73/28/93/719732893.db2.gz UKBCYOHIWOQNSG-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968864379 719830654 /nfs/dbraw/zinc/83/06/54/719830654.db2.gz UXGQQYOKEYHJKR-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968864379 719830661 /nfs/dbraw/zinc/83/06/61/719830661.db2.gz UXGQQYOKEYHJKR-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968864379 719830668 /nfs/dbraw/zinc/83/06/68/719830668.db2.gz UXGQQYOKEYHJKR-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998032 719917644 /nfs/dbraw/zinc/91/76/44/719917644.db2.gz JHMAYASIYSVUGD-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000949472684 720111036 /nfs/dbraw/zinc/11/10/36/720111036.db2.gz HBADJCCRDVVSKD-UHFFFAOYSA-N 2 1 313.445 1.572 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969829149 720313882 /nfs/dbraw/zinc/31/38/82/720313882.db2.gz AFGOYIMASJSYAS-CRAIPNDOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC000969864896 720540367 /nfs/dbraw/zinc/54/03/67/720540367.db2.gz HOTUPDCPTOBNMA-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1 ZINC000969864896 720540372 /nfs/dbraw/zinc/54/03/72/720540372.db2.gz HOTUPDCPTOBNMA-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000969963215 720578897 /nfs/dbraw/zinc/57/88/97/720578897.db2.gz VVLCQJBFEDZOGS-ZIAGYGMSSA-N 2 1 322.840 1.697 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970325592 720710883 /nfs/dbraw/zinc/71/08/83/720710883.db2.gz HUETVWKBFAXWBK-HOCLYGCPSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970325592 720710885 /nfs/dbraw/zinc/71/08/85/720710885.db2.gz HUETVWKBFAXWBK-HOCLYGCPSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552797 735307505 /nfs/dbraw/zinc/30/75/05/735307505.db2.gz NTSIGHUAWRWNDN-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552797 735307507 /nfs/dbraw/zinc/30/75/07/735307507.db2.gz NTSIGHUAWRWNDN-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552797 735307511 /nfs/dbraw/zinc/30/75/11/735307511.db2.gz NTSIGHUAWRWNDN-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001023761670 735448967 /nfs/dbraw/zinc/44/89/67/735448967.db2.gz GLWCATHCOYFUSK-QGZVFWFLSA-N 2 1 313.445 1.823 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039460340 734534139 /nfs/dbraw/zinc/53/41/39/734534139.db2.gz LRKGQERGFHKOKI-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460340 734534140 /nfs/dbraw/zinc/53/41/40/734534140.db2.gz LRKGQERGFHKOKI-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460340 734534143 /nfs/dbraw/zinc/53/41/43/734534143.db2.gz LRKGQERGFHKOKI-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001023414469 735220366 /nfs/dbraw/zinc/22/03/66/735220366.db2.gz SYMJZSBDVIQWOI-HUUCEWRRSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414469 735220368 /nfs/dbraw/zinc/22/03/68/735220368.db2.gz SYMJZSBDVIQWOI-HUUCEWRRSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414469 735220370 /nfs/dbraw/zinc/22/03/70/735220370.db2.gz SYMJZSBDVIQWOI-HUUCEWRRSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001024617608 735985253 /nfs/dbraw/zinc/98/52/53/735985253.db2.gz KOJQJUSRRWNXKX-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024617608 735985254 /nfs/dbraw/zinc/98/52/54/735985254.db2.gz KOJQJUSRRWNXKX-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024617608 735985255 /nfs/dbraw/zinc/98/52/55/735985255.db2.gz KOJQJUSRRWNXKX-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024701733 736031704 /nfs/dbraw/zinc/03/17/04/736031704.db2.gz JFNZQPIGMPCURF-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024810034 736103025 /nfs/dbraw/zinc/10/30/25/736103025.db2.gz ZRUUSRYKCPKYGD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024810034 736103027 /nfs/dbraw/zinc/10/30/27/736103027.db2.gz ZRUUSRYKCPKYGD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024810034 736103028 /nfs/dbraw/zinc/10/30/28/736103028.db2.gz ZRUUSRYKCPKYGD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024810034 736103030 /nfs/dbraw/zinc/10/30/30/736103030.db2.gz ZRUUSRYKCPKYGD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450696 736677091 /nfs/dbraw/zinc/67/70/91/736677091.db2.gz LMQVYFISHLSKGR-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010624 737456726 /nfs/dbraw/zinc/45/67/26/737456726.db2.gz TZAFQLSIWMGRRE-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010748 737456854 /nfs/dbraw/zinc/45/68/54/737456854.db2.gz YBXMVNBRKYMVRY-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442341 738299524 /nfs/dbraw/zinc/29/95/24/738299524.db2.gz DMPCFWPRTZXDBP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442341 738299525 /nfs/dbraw/zinc/29/95/25/738299525.db2.gz DMPCFWPRTZXDBP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442341 738299527 /nfs/dbraw/zinc/29/95/27/738299527.db2.gz DMPCFWPRTZXDBP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028087876 739014679 /nfs/dbraw/zinc/01/46/79/739014679.db2.gz BAFGXQXRVCHVNC-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028087876 739014683 /nfs/dbraw/zinc/01/46/83/739014683.db2.gz BAFGXQXRVCHVNC-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028087876 739014684 /nfs/dbraw/zinc/01/46/84/739014684.db2.gz BAFGXQXRVCHVNC-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093002 739024402 /nfs/dbraw/zinc/02/44/02/739024402.db2.gz FURWCZDNLXZXRX-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093002 739024404 /nfs/dbraw/zinc/02/44/04/739024404.db2.gz FURWCZDNLXZXRX-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093002 739024407 /nfs/dbraw/zinc/02/44/07/739024407.db2.gz FURWCZDNLXZXRX-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093002 739024410 /nfs/dbraw/zinc/02/44/10/739024410.db2.gz FURWCZDNLXZXRX-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093002 739024412 /nfs/dbraw/zinc/02/44/12/739024412.db2.gz FURWCZDNLXZXRX-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093004 739024457 /nfs/dbraw/zinc/02/44/57/739024457.db2.gz FURWCZDNLXZXRX-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093004 739024460 /nfs/dbraw/zinc/02/44/60/739024460.db2.gz FURWCZDNLXZXRX-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093004 739024462 /nfs/dbraw/zinc/02/44/62/739024462.db2.gz FURWCZDNLXZXRX-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093004 739024467 /nfs/dbraw/zinc/02/44/67/739024467.db2.gz FURWCZDNLXZXRX-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093004 739024469 /nfs/dbraw/zinc/02/44/69/739024469.db2.gz FURWCZDNLXZXRX-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035424049 751482775 /nfs/dbraw/zinc/48/27/75/751482775.db2.gz QZYUQSABFGMBQF-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035424049 751482777 /nfs/dbraw/zinc/48/27/77/751482777.db2.gz QZYUQSABFGMBQF-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035424049 751482780 /nfs/dbraw/zinc/48/27/80/751482780.db2.gz QZYUQSABFGMBQF-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035424049 751482782 /nfs/dbraw/zinc/48/27/82/751482782.db2.gz QZYUQSABFGMBQF-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(Cl)CN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028762959 740007517 /nfs/dbraw/zinc/00/75/17/740007517.db2.gz XFICRULFCXEHNV-KKUMJFAQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028762959 740007520 /nfs/dbraw/zinc/00/75/20/740007520.db2.gz XFICRULFCXEHNV-KKUMJFAQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028762959 740007525 /nfs/dbraw/zinc/00/75/25/740007525.db2.gz XFICRULFCXEHNV-KKUMJFAQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028762959 740007529 /nfs/dbraw/zinc/00/75/29/740007529.db2.gz XFICRULFCXEHNV-KKUMJFAQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028762959 740007534 /nfs/dbraw/zinc/00/75/34/740007534.db2.gz XFICRULFCXEHNV-KKUMJFAQSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087598622 740671947 /nfs/dbraw/zinc/67/19/47/740671947.db2.gz RMZZROZUMNZEET-FGTMMUONSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087598622 740671949 /nfs/dbraw/zinc/67/19/49/740671949.db2.gz RMZZROZUMNZEET-FGTMMUONSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087598622 740671951 /nfs/dbraw/zinc/67/19/51/740671951.db2.gz RMZZROZUMNZEET-FGTMMUONSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1CC ZINC001087607313 740674954 /nfs/dbraw/zinc/67/49/54/740674954.db2.gz XHTIKXKBEPCNPR-BBWFWOEESA-N 2 1 303.450 1.629 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671370 740702553 /nfs/dbraw/zinc/70/25/53/740702553.db2.gz AGQCBQAPLNUAOE-KSZLIROESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC=C)CC[C@@H]2C1 ZINC001087997854 740938791 /nfs/dbraw/zinc/93/87/91/740938791.db2.gz CIECJPOQLACYBG-SQNIBIBYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC=C)CC[C@@H]2C1 ZINC001087997854 740938795 /nfs/dbraw/zinc/93/87/95/740938795.db2.gz CIECJPOQLACYBG-SQNIBIBYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC=C)CC[C@@H]2C1 ZINC001087997854 740938800 /nfs/dbraw/zinc/93/88/00/740938800.db2.gz CIECJPOQLACYBG-SQNIBIBYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC=C)CC[C@@H]2C1 ZINC001087997854 740938803 /nfs/dbraw/zinc/93/88/03/740938803.db2.gz CIECJPOQLACYBG-SQNIBIBYSA-N 2 1 315.461 1.440 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622328 742021586 /nfs/dbraw/zinc/02/15/86/742021586.db2.gz QKHCAMUXRVZJND-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622328 742021589 /nfs/dbraw/zinc/02/15/89/742021589.db2.gz QKHCAMUXRVZJND-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622328 742021595 /nfs/dbraw/zinc/02/15/95/742021595.db2.gz QKHCAMUXRVZJND-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622328 742021599 /nfs/dbraw/zinc/02/15/99/742021599.db2.gz QKHCAMUXRVZJND-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075973083 742298375 /nfs/dbraw/zinc/29/83/75/742298375.db2.gz YFCQNIIJZIJZHM-MAUKXSAKSA-N 2 1 322.412 1.812 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309269 742657815 /nfs/dbraw/zinc/65/78/15/742657815.db2.gz JAGADXJGMNMYQW-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309269 742657819 /nfs/dbraw/zinc/65/78/19/742657819.db2.gz JAGADXJGMNMYQW-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641783 744421915 /nfs/dbraw/zinc/42/19/15/744421915.db2.gz VEGOEEASQZOZLT-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992121666 744614133 /nfs/dbraw/zinc/61/41/33/744614133.db2.gz XISQWIADHPCLLG-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992121666 744614134 /nfs/dbraw/zinc/61/41/34/744614134.db2.gz XISQWIADHPCLLG-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992121666 744614135 /nfs/dbraw/zinc/61/41/35/744614135.db2.gz XISQWIADHPCLLG-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992121666 744614136 /nfs/dbraw/zinc/61/41/36/744614136.db2.gz XISQWIADHPCLLG-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001188140056 744664861 /nfs/dbraw/zinc/66/48/61/744664861.db2.gz WZZCZQPAGWYBJK-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185946 744671198 /nfs/dbraw/zinc/67/11/98/744671198.db2.gz DDZWKHJLDOOTHL-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185946 744671200 /nfs/dbraw/zinc/67/12/00/744671200.db2.gz DDZWKHJLDOOTHL-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185946 744671204 /nfs/dbraw/zinc/67/12/04/744671204.db2.gz DDZWKHJLDOOTHL-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992262251 744733223 /nfs/dbraw/zinc/73/32/23/744733223.db2.gz RHHQFGQUEBFJRT-YJBOKZPZSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992262251 744733225 /nfs/dbraw/zinc/73/32/25/744733225.db2.gz RHHQFGQUEBFJRT-YJBOKZPZSA-N 2 1 314.433 1.753 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099166025 744876393 /nfs/dbraw/zinc/87/63/93/744876393.db2.gz YMZMABUCEDRQCX-RDJZCZTQSA-N 2 1 300.406 1.186 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099166025 744876395 /nfs/dbraw/zinc/87/63/95/744876395.db2.gz YMZMABUCEDRQCX-RDJZCZTQSA-N 2 1 300.406 1.186 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190248171 745160512 /nfs/dbraw/zinc/16/05/12/745160512.db2.gz XVEDSTUOWQWRGA-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190248171 745160517 /nfs/dbraw/zinc/16/05/17/745160517.db2.gz XVEDSTUOWQWRGA-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001190282313 745177158 /nfs/dbraw/zinc/17/71/58/745177158.db2.gz PLWOAIJWJQOGMG-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001190282313 745177160 /nfs/dbraw/zinc/17/71/60/745177160.db2.gz PLWOAIJWJQOGMG-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001190282313 745177162 /nfs/dbraw/zinc/17/71/62/745177162.db2.gz PLWOAIJWJQOGMG-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001190282313 745177164 /nfs/dbraw/zinc/17/71/64/745177164.db2.gz PLWOAIJWJQOGMG-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000992862239 745249451 /nfs/dbraw/zinc/24/94/51/745249451.db2.gz RZFIFZBYWUVEMD-GVDBMIGSSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652838 745285012 /nfs/dbraw/zinc/28/50/12/745285012.db2.gz BHBNVSWJDYUEDU-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190652838 745285015 /nfs/dbraw/zinc/28/50/15/745285015.db2.gz BHBNVSWJDYUEDU-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190652838 745285017 /nfs/dbraw/zinc/28/50/17/745285017.db2.gz BHBNVSWJDYUEDU-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190744558 745315046 /nfs/dbraw/zinc/31/50/46/745315046.db2.gz RPWOVIRZLVKOAF-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190744558 745315052 /nfs/dbraw/zinc/31/50/52/745315052.db2.gz RPWOVIRZLVKOAF-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190744558 745315058 /nfs/dbraw/zinc/31/50/58/745315058.db2.gz RPWOVIRZLVKOAF-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989121 745658767 /nfs/dbraw/zinc/65/87/67/745658767.db2.gz QHPGRFBMILZNNC-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989121 745658768 /nfs/dbraw/zinc/65/87/68/745658768.db2.gz QHPGRFBMILZNNC-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192434332 745782118 /nfs/dbraw/zinc/78/21/18/745782118.db2.gz CHRNQUGNAWSRRC-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192845833 745914971 /nfs/dbraw/zinc/91/49/71/745914971.db2.gz JQBYBRJEVLIAOA-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192845833 745914973 /nfs/dbraw/zinc/91/49/73/745914973.db2.gz JQBYBRJEVLIAOA-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993494731 746175722 /nfs/dbraw/zinc/17/57/22/746175722.db2.gz QVLQMIXWOSBEPS-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993494731 746175726 /nfs/dbraw/zinc/17/57/26/746175726.db2.gz QVLQMIXWOSBEPS-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194266645 746326151 /nfs/dbraw/zinc/32/61/51/746326151.db2.gz XNTSFSIZXJAXSV-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266645 746326156 /nfs/dbraw/zinc/32/61/56/746326156.db2.gz XNTSFSIZXJAXSV-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266645 746326164 /nfs/dbraw/zinc/32/61/64/746326164.db2.gz XNTSFSIZXJAXSV-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046927021 746505250 /nfs/dbraw/zinc/50/52/50/746505250.db2.gz WXQSXGLQJAFOQG-STQMWFEESA-N 2 1 301.381 1.340 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046927021 746505252 /nfs/dbraw/zinc/50/52/52/746505252.db2.gz WXQSXGLQJAFOQG-STQMWFEESA-N 2 1 301.381 1.340 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046927021 746505254 /nfs/dbraw/zinc/50/52/54/746505254.db2.gz WXQSXGLQJAFOQG-STQMWFEESA-N 2 1 301.381 1.340 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197187267 747080517 /nfs/dbraw/zinc/08/05/17/747080517.db2.gz COYNRRUOOGIOOT-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197447660 747153745 /nfs/dbraw/zinc/15/37/45/747153745.db2.gz IFOKSMICJCXRKE-UHFFFAOYSA-N 2 1 309.454 1.209 20 30 DDEDMP C=CC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197447660 747153748 /nfs/dbraw/zinc/15/37/48/747153748.db2.gz IFOKSMICJCXRKE-UHFFFAOYSA-N 2 1 309.454 1.209 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031671781 747358596 /nfs/dbraw/zinc/35/85/96/747358596.db2.gz AZTWJGWAPKXSML-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031671781 747358602 /nfs/dbraw/zinc/35/86/02/747358602.db2.gz AZTWJGWAPKXSML-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003940169 747797932 /nfs/dbraw/zinc/79/79/32/747797932.db2.gz IGARQUCYGHQYNO-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921921 748216870 /nfs/dbraw/zinc/21/68/70/748216870.db2.gz NAVWWFOTJSJQLQ-GOSISDBHSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921921 748216877 /nfs/dbraw/zinc/21/68/77/748216877.db2.gz NAVWWFOTJSJQLQ-GOSISDBHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658517 748317499 /nfs/dbraw/zinc/31/74/99/748317499.db2.gz PDIXXCZQECZIPX-HZPDHXFCSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805082 748350780 /nfs/dbraw/zinc/35/07/80/748350780.db2.gz IXAOGGSLFQKQMO-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004367180 748367815 /nfs/dbraw/zinc/36/78/15/748367815.db2.gz BZNKGXSYCKBKHK-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864448 748614527 /nfs/dbraw/zinc/61/45/27/748614527.db2.gz XKDVSXUHFCXWBZ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202163559 748701862 /nfs/dbraw/zinc/70/18/62/748701862.db2.gz GJODXNDKSAOFBB-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107037190 748802149 /nfs/dbraw/zinc/80/21/49/748802149.db2.gz WCYBUCBFOAEQPQ-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033212933 748948972 /nfs/dbraw/zinc/94/89/72/748948972.db2.gz FFXCIGBIHLLZOG-MRXNPFEDSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223531 748979798 /nfs/dbraw/zinc/97/97/98/748979798.db2.gz RLOXXQHRMSYFGT-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223531 748979804 /nfs/dbraw/zinc/97/98/04/748979804.db2.gz RLOXXQHRMSYFGT-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223531 748979810 /nfs/dbraw/zinc/97/98/10/748979810.db2.gz RLOXXQHRMSYFGT-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099557237 749055642 /nfs/dbraw/zinc/05/56/42/749055642.db2.gz ZMAWDRPCWWIYII-FJIDUMEYSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099557237 749055647 /nfs/dbraw/zinc/05/56/47/749055647.db2.gz ZMAWDRPCWWIYII-FJIDUMEYSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099557237 749055651 /nfs/dbraw/zinc/05/56/51/749055651.db2.gz ZMAWDRPCWWIYII-FJIDUMEYSA-N 2 1 317.477 1.519 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC000995984442 749316784 /nfs/dbraw/zinc/31/67/84/749316784.db2.gz JJMMFLJFBGODDM-HNNXBMFYSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343362 761958007 /nfs/dbraw/zinc/95/80/07/761958007.db2.gz POAYAEQOLUQOFR-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343362 761958013 /nfs/dbraw/zinc/95/80/13/761958013.db2.gz POAYAEQOLUQOFR-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343362 761958020 /nfs/dbraw/zinc/95/80/20/761958020.db2.gz POAYAEQOLUQOFR-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnc1)C2 ZINC001110877476 749801423 /nfs/dbraw/zinc/80/14/23/749801423.db2.gz SZYCRVSLMOHSHW-OAGGEKHMSA-N 2 1 302.422 1.961 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039386197 761986338 /nfs/dbraw/zinc/98/63/38/761986338.db2.gz BSDKBBHNQBIFSR-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960161 750187295 /nfs/dbraw/zinc/18/72/95/750187295.db2.gz ZMFKOLVCZXIKKM-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960161 750187299 /nfs/dbraw/zinc/18/72/99/750187299.db2.gz ZMFKOLVCZXIKKM-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033985617 750213117 /nfs/dbraw/zinc/21/31/17/750213117.db2.gz DQQNPNLNIXJQGR-MRXNPFEDSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005497721 750266525 /nfs/dbraw/zinc/26/65/25/750266525.db2.gz QCNVMZRWZMPSLF-MRXNPFEDSA-N 2 1 314.433 1.707 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001034653719 750632471 /nfs/dbraw/zinc/63/24/71/750632471.db2.gz QQSNJFFSEHTLGT-QBPKDAKJSA-N 2 1 321.465 1.443 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001032413418 750667594 /nfs/dbraw/zinc/66/75/94/750667594.db2.gz IDNLJIVFVMOVER-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001032413418 750667597 /nfs/dbraw/zinc/66/75/97/750667597.db2.gz IDNLJIVFVMOVER-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001032413418 750667601 /nfs/dbraw/zinc/66/76/01/750667601.db2.gz IDNLJIVFVMOVER-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005586133 750669662 /nfs/dbraw/zinc/66/96/62/750669662.db2.gz VJZRHGVPRPCKMV-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC001114518651 750690721 /nfs/dbraw/zinc/69/07/21/750690721.db2.gz MSDZGXSTQLCVAP-ZSHCYNCHSA-N 2 1 303.450 1.627 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034712134 750758511 /nfs/dbraw/zinc/75/85/11/750758511.db2.gz AIIRUUDATWMEHO-ULQDDVLXSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034712134 750758514 /nfs/dbraw/zinc/75/85/14/750758514.db2.gz AIIRUUDATWMEHO-ULQDDVLXSA-N 2 1 323.481 1.689 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001035239285 751322335 /nfs/dbraw/zinc/32/23/35/751322335.db2.gz NVUXVOHYSAHTCJ-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035245780 751326626 /nfs/dbraw/zinc/32/66/26/751326626.db2.gz FGYSLVWOWXLZKY-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035245780 751326632 /nfs/dbraw/zinc/32/66/32/751326632.db2.gz FGYSLVWOWXLZKY-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035245780 751326639 /nfs/dbraw/zinc/32/66/39/751326639.db2.gz FGYSLVWOWXLZKY-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419587 762116757 /nfs/dbraw/zinc/11/67/57/762116757.db2.gz PGQPLBXQXDDNAD-GOSISDBHSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419587 762116760 /nfs/dbraw/zinc/11/67/60/762116760.db2.gz PGQPLBXQXDDNAD-GOSISDBHSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000709522 762117505 /nfs/dbraw/zinc/11/75/05/762117505.db2.gz XJXQSOMJUNHOJT-KRWDZBQOSA-N 2 1 301.434 1.100 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700761 755536660 /nfs/dbraw/zinc/53/66/60/755536660.db2.gz KHBGZFNWSJEXPE-SOLBZPMBSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001079846707 755607532 /nfs/dbraw/zinc/60/75/32/755607532.db2.gz ZGYHJHHVSKELPG-KFWWJZLASA-N 2 1 302.422 1.773 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001079846707 755607535 /nfs/dbraw/zinc/60/75/35/755607535.db2.gz ZGYHJHHVSKELPG-KFWWJZLASA-N 2 1 302.422 1.773 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080021479 755686362 /nfs/dbraw/zinc/68/63/62/755686362.db2.gz BFTQSUVEWWUREB-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021479 755686366 /nfs/dbraw/zinc/68/63/66/755686366.db2.gz BFTQSUVEWWUREB-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021479 755686370 /nfs/dbraw/zinc/68/63/70/755686370.db2.gz BFTQSUVEWWUREB-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001082559025 756852853 /nfs/dbraw/zinc/85/28/53/756852853.db2.gz PZSFSKGPUSYZDP-MRVWCRGKSA-N 2 1 322.840 1.950 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001097177655 756949350 /nfs/dbraw/zinc/94/93/50/756949350.db2.gz XGIZRBSXJLIVDE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001097177655 756949353 /nfs/dbraw/zinc/94/93/53/756949353.db2.gz XGIZRBSXJLIVDE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001097177655 756949356 /nfs/dbraw/zinc/94/93/56/756949356.db2.gz XGIZRBSXJLIVDE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001097177655 756949360 /nfs/dbraw/zinc/94/93/60/756949360.db2.gz XGIZRBSXJLIVDE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016688669 757269448 /nfs/dbraw/zinc/26/94/48/757269448.db2.gz ULNFQXKOBMTGAJ-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001016819323 757377235 /nfs/dbraw/zinc/37/72/35/757377235.db2.gz JLHBXHAUMKDAGX-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052795074 757775459 /nfs/dbraw/zinc/77/54/59/757775459.db2.gz ZOAFHQCHRHZMNA-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017735863 758194485 /nfs/dbraw/zinc/19/44/85/758194485.db2.gz ODGHDHAFBAZJRO-CALCHBBNSA-N 2 1 308.385 1.646 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001017735863 758194492 /nfs/dbraw/zinc/19/44/92/758194492.db2.gz ODGHDHAFBAZJRO-CALCHBBNSA-N 2 1 308.385 1.646 20 30 DDEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040652165 762638596 /nfs/dbraw/zinc/63/85/96/762638596.db2.gz IGYYSBQOJDCYIK-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040652165 762638600 /nfs/dbraw/zinc/63/86/00/762638600.db2.gz IGYYSBQOJDCYIK-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001040774620 762676745 /nfs/dbraw/zinc/67/67/45/762676745.db2.gz OWTLQKXFHHLNAD-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164909 759246775 /nfs/dbraw/zinc/24/67/75/759246775.db2.gz WXFXCQCUALCUII-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164909 759246783 /nfs/dbraw/zinc/24/67/83/759246783.db2.gz WXFXCQCUALCUII-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054244951 759337081 /nfs/dbraw/zinc/33/70/81/759337081.db2.gz LXKDMJRGWRYDNU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244951 759337090 /nfs/dbraw/zinc/33/70/90/759337090.db2.gz LXKDMJRGWRYDNU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244951 759337100 /nfs/dbraw/zinc/33/71/00/759337100.db2.gz LXKDMJRGWRYDNU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001018878644 759361387 /nfs/dbraw/zinc/36/13/87/759361387.db2.gz OKQTUNSSLBYFKQ-XJKSGUPXSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001018878644 759361400 /nfs/dbraw/zinc/36/14/00/759361400.db2.gz OKQTUNSSLBYFKQ-XJKSGUPXSA-N 2 1 317.437 1.557 20 30 DDEDMP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291993 759398232 /nfs/dbraw/zinc/39/82/32/759398232.db2.gz OAEGICAEAKTEDF-KRWDZBQOSA-N 2 1 311.429 1.593 20 30 DDEDMP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291993 759398243 /nfs/dbraw/zinc/39/82/43/759398243.db2.gz OAEGICAEAKTEDF-KRWDZBQOSA-N 2 1 311.429 1.593 20 30 DDEDMP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291993 759398252 /nfs/dbraw/zinc/39/82/52/759398252.db2.gz OAEGICAEAKTEDF-KRWDZBQOSA-N 2 1 311.429 1.593 20 30 DDEDMP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291993 759398261 /nfs/dbraw/zinc/39/82/61/759398261.db2.gz OAEGICAEAKTEDF-KRWDZBQOSA-N 2 1 311.429 1.593 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085669132 759963102 /nfs/dbraw/zinc/96/31/02/759963102.db2.gz RTOAOUBOTSXLGW-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085669132 759963109 /nfs/dbraw/zinc/96/31/09/759963109.db2.gz RTOAOUBOTSXLGW-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001046850601 767983760 /nfs/dbraw/zinc/98/37/60/767983760.db2.gz XNOSFGVDXJSEMD-LYLYKKCESA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001046850601 767983764 /nfs/dbraw/zinc/98/37/64/767983764.db2.gz XNOSFGVDXJSEMD-LYLYKKCESA-N 2 1 323.868 1.665 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247820 760944975 /nfs/dbraw/zinc/94/49/75/760944975.db2.gz JZXBNBBBYHPEMD-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247820 760944978 /nfs/dbraw/zinc/94/49/78/760944978.db2.gz JZXBNBBBYHPEMD-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247820 760944982 /nfs/dbraw/zinc/94/49/82/760944982.db2.gz JZXBNBBBYHPEMD-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086089552 760954470 /nfs/dbraw/zinc/95/44/70/760954470.db2.gz FIWLYTHNYBTOAR-LJISPDSOSA-N 2 1 313.873 1.954 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086389581 761530120 /nfs/dbraw/zinc/53/01/20/761530120.db2.gz RPPCCSKLIVMHAU-ULQDDVLXSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001086389581 761530124 /nfs/dbraw/zinc/53/01/24/761530124.db2.gz RPPCCSKLIVMHAU-ULQDDVLXSA-N 2 1 303.450 1.369 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081746 761589157 /nfs/dbraw/zinc/58/91/57/761589157.db2.gz XVJLIVGGWZWMED-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001001476484 762897991 /nfs/dbraw/zinc/89/79/91/762897991.db2.gz MKNOPDJWXDEXNE-HNNXBMFYSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001521272 762934323 /nfs/dbraw/zinc/93/43/23/762934323.db2.gz ISDHCDHTHPSJHU-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041402389 763007676 /nfs/dbraw/zinc/00/76/76/763007676.db2.gz IGNFZNBXXKBHKZ-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041402389 763007685 /nfs/dbraw/zinc/00/76/85/763007685.db2.gz IGNFZNBXXKBHKZ-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041402389 763007690 /nfs/dbraw/zinc/00/76/90/763007690.db2.gz IGNFZNBXXKBHKZ-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041402389 763007696 /nfs/dbraw/zinc/00/76/96/763007696.db2.gz IGNFZNBXXKBHKZ-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041408569 763011744 /nfs/dbraw/zinc/01/17/44/763011744.db2.gz MTQQWXUTVIWMTM-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041408569 763011750 /nfs/dbraw/zinc/01/17/50/763011750.db2.gz MTQQWXUTVIWMTM-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041408569 763011756 /nfs/dbraw/zinc/01/17/56/763011756.db2.gz MTQQWXUTVIWMTM-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041535462 763113018 /nfs/dbraw/zinc/11/30/18/763113018.db2.gz HIEULLSBSWOPIO-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139496 763202744 /nfs/dbraw/zinc/20/27/44/763202744.db2.gz DBHUUVGIBDFLEL-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139496 763202748 /nfs/dbraw/zinc/20/27/48/763202748.db2.gz DBHUUVGIBDFLEL-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139496 763202753 /nfs/dbraw/zinc/20/27/53/763202753.db2.gz DBHUUVGIBDFLEL-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785194 763324383 /nfs/dbraw/zinc/32/43/83/763324383.db2.gz CHKVATKLJJDKOA-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785194 763324395 /nfs/dbraw/zinc/32/43/95/763324395.db2.gz CHKVATKLJJDKOA-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785194 763324404 /nfs/dbraw/zinc/32/44/04/763324404.db2.gz CHKVATKLJJDKOA-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041784992 763325099 /nfs/dbraw/zinc/32/50/99/763325099.db2.gz BCVOPWFYRKFOAC-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041784992 763325107 /nfs/dbraw/zinc/32/51/07/763325107.db2.gz BCVOPWFYRKFOAC-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041784992 763325114 /nfs/dbraw/zinc/32/51/14/763325114.db2.gz BCVOPWFYRKFOAC-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063203 763605964 /nfs/dbraw/zinc/60/59/64/763605964.db2.gz SAQZSFCMOUAIKL-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001109449355 763716180 /nfs/dbraw/zinc/71/61/80/763716180.db2.gz QHLFNDSEUUDDAQ-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001109449355 763716182 /nfs/dbraw/zinc/71/61/82/763716182.db2.gz QHLFNDSEUUDDAQ-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449355 763716186 /nfs/dbraw/zinc/71/61/86/763716186.db2.gz QHLFNDSEUUDDAQ-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001109449355 763716189 /nfs/dbraw/zinc/71/61/89/763716189.db2.gz QHLFNDSEUUDDAQ-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316390 763906111 /nfs/dbraw/zinc/90/61/11/763906111.db2.gz LNHHNEZWCAQPTI-PBHICJAKSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316390 763906117 /nfs/dbraw/zinc/90/61/17/763906117.db2.gz LNHHNEZWCAQPTI-PBHICJAKSA-N 2 1 314.433 1.870 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042357024 763960144 /nfs/dbraw/zinc/96/01/44/763960144.db2.gz WLSHRNMRMUMERD-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042357024 763960149 /nfs/dbraw/zinc/96/01/49/763960149.db2.gz WLSHRNMRMUMERD-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368122 763970507 /nfs/dbraw/zinc/97/05/07/763970507.db2.gz OBRBRHQVAKDYOY-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001112586424 764427774 /nfs/dbraw/zinc/42/77/74/764427774.db2.gz YHTATYMLEYTWMJ-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131683599 768260459 /nfs/dbraw/zinc/26/04/59/768260459.db2.gz ZQEVGAUPKMSEHM-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348278 765600239 /nfs/dbraw/zinc/60/02/39/765600239.db2.gz GXLXGQLGFRSHII-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045461186 766322647 /nfs/dbraw/zinc/32/26/47/766322647.db2.gz RELPNGJEUMHPII-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045984322 766761176 /nfs/dbraw/zinc/76/11/76/766761176.db2.gz XKWNTVHQDIVWOB-SFHVURJKSA-N 2 1 303.450 1.420 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC001129418273 766876792 /nfs/dbraw/zinc/87/67/92/766876792.db2.gz TZOFVLNNFZAVML-MRXNPFEDSA-N 2 1 323.400 1.538 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046574947 767703370 /nfs/dbraw/zinc/70/33/70/767703370.db2.gz MBHZGHMHYHVKJQ-MAUKXSAKSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046574947 767703373 /nfs/dbraw/zinc/70/33/73/767703373.db2.gz MBHZGHMHYHVKJQ-MAUKXSAKSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070400190 768444102 /nfs/dbraw/zinc/44/41/02/768444102.db2.gz TZGWQRVKDYOXMK-DZGCQCFKSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400190 768444106 /nfs/dbraw/zinc/44/41/06/768444106.db2.gz TZGWQRVKDYOXMK-DZGCQCFKSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400190 768444109 /nfs/dbraw/zinc/44/41/09/768444109.db2.gz TZGWQRVKDYOXMK-DZGCQCFKSA-N 2 1 317.437 1.095 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309919 769148625 /nfs/dbraw/zinc/14/86/25/769148625.db2.gz ZLUSPWFHACVKSQ-SQNIBIBYSA-N 2 1 315.461 1.463 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001096309919 769148633 /nfs/dbraw/zinc/14/86/33/769148633.db2.gz ZLUSPWFHACVKSQ-SQNIBIBYSA-N 2 1 315.461 1.463 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132887220 769290330 /nfs/dbraw/zinc/29/03/30/769290330.db2.gz CZCFVCDGKAVMAS-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976726 769377996 /nfs/dbraw/zinc/37/79/96/769377996.db2.gz FSBZZIRKMRNHEZ-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071644958 769782017 /nfs/dbraw/zinc/78/20/17/769782017.db2.gz DXWXWRSFLHKXCW-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071644958 769782026 /nfs/dbraw/zinc/78/20/26/769782026.db2.gz DXWXWRSFLHKXCW-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823969 769948584 /nfs/dbraw/zinc/94/85/84/769948584.db2.gz OQIUURSDQBCFQG-FGTMMUONSA-N 2 1 317.477 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864274 770010527 /nfs/dbraw/zinc/01/05/27/770010527.db2.gz VDXKAHBEXCBXPO-OWCLPIDISA-N 2 1 314.433 1.727 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864274 770010534 /nfs/dbraw/zinc/01/05/34/770010534.db2.gz VDXKAHBEXCBXPO-OWCLPIDISA-N 2 1 314.433 1.727 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](F)CC)C[C@@H]2C1 ZINC001048870072 770020382 /nfs/dbraw/zinc/02/03/82/770020382.db2.gz NYVIWBUODRSFLR-TWMKSMIVSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@@H]2C1 ZINC001048870072 770020395 /nfs/dbraw/zinc/02/03/95/770020395.db2.gz NYVIWBUODRSFLR-TWMKSMIVSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](F)CC)C[C@@H]2C1 ZINC001048870072 770020409 /nfs/dbraw/zinc/02/04/09/770020409.db2.gz NYVIWBUODRSFLR-TWMKSMIVSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](F)CC)C[C@@H]2C1 ZINC001048870072 770020421 /nfs/dbraw/zinc/02/04/21/770020421.db2.gz NYVIWBUODRSFLR-TWMKSMIVSA-N 2 1 321.440 1.222 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001133869571 770391038 /nfs/dbraw/zinc/39/10/38/770391038.db2.gz GWSYPNLCVVSKGA-SMDDNHRTSA-N 2 1 306.435 1.023 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049484360 770916268 /nfs/dbraw/zinc/91/62/68/770916268.db2.gz GEWMSLNAPBNALZ-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049484360 770916273 /nfs/dbraw/zinc/91/62/73/770916273.db2.gz GEWMSLNAPBNALZ-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049484360 770916275 /nfs/dbraw/zinc/91/62/75/770916275.db2.gz GEWMSLNAPBNALZ-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049526505 770977861 /nfs/dbraw/zinc/97/78/61/770977861.db2.gz VFMBNEAIYKYDSC-BBWFWOEESA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049672029 771071905 /nfs/dbraw/zinc/07/19/05/771071905.db2.gz PFNNNHJDSYUADF-XLAORIBOSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672029 771071909 /nfs/dbraw/zinc/07/19/09/771071909.db2.gz PFNNNHJDSYUADF-XLAORIBOSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672029 771071911 /nfs/dbraw/zinc/07/19/11/771071911.db2.gz PFNNNHJDSYUADF-XLAORIBOSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090520619 771184070 /nfs/dbraw/zinc/18/40/70/771184070.db2.gz QNCPBYJICFYNSU-LSDHHAIUSA-N 2 1 321.421 1.082 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001049994923 771349059 /nfs/dbraw/zinc/34/90/59/771349059.db2.gz BWMGHJYSWMJIDO-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001049994923 771349061 /nfs/dbraw/zinc/34/90/61/771349061.db2.gz BWMGHJYSWMJIDO-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001049994923 771349065 /nfs/dbraw/zinc/34/90/65/771349065.db2.gz BWMGHJYSWMJIDO-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691504 772113464 /nfs/dbraw/zinc/11/34/64/772113464.db2.gz FULHDTHAOFJKPC-IAGOWNOFSA-N 2 1 323.481 1.234 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091664453 773257616 /nfs/dbraw/zinc/25/76/16/773257616.db2.gz MICLAGYGEJHGCF-NUJGCVRESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664453 773257624 /nfs/dbraw/zinc/25/76/24/773257624.db2.gz MICLAGYGEJHGCF-NUJGCVRESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664453 773257631 /nfs/dbraw/zinc/25/76/31/773257631.db2.gz MICLAGYGEJHGCF-NUJGCVRESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091716162 773458237 /nfs/dbraw/zinc/45/82/37/773458237.db2.gz LPOOEDAUIJTLOM-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716162 773458239 /nfs/dbraw/zinc/45/82/39/773458239.db2.gz LPOOEDAUIJTLOM-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716162 773458241 /nfs/dbraw/zinc/45/82/41/773458241.db2.gz LPOOEDAUIJTLOM-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735796 773533601 /nfs/dbraw/zinc/53/36/01/773533601.db2.gz XZEWNLMRTNFCLO-WBVHZDCISA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302082 774053510 /nfs/dbraw/zinc/05/35/10/774053510.db2.gz SAYXGBKOFUPFFK-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302082 774053513 /nfs/dbraw/zinc/05/35/13/774053513.db2.gz SAYXGBKOFUPFFK-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302082 774053519 /nfs/dbraw/zinc/05/35/19/774053519.db2.gz SAYXGBKOFUPFFK-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)[C@H]1C ZINC001074661919 774053607 /nfs/dbraw/zinc/05/36/07/774053607.db2.gz SEZXYBMSFGXPJU-XEZPLFJOSA-N 2 1 317.437 1.555 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)[C@H]1C ZINC001074661919 774053613 /nfs/dbraw/zinc/05/36/13/774053613.db2.gz SEZXYBMSFGXPJU-XEZPLFJOSA-N 2 1 317.437 1.555 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671382 774212850 /nfs/dbraw/zinc/21/28/50/774212850.db2.gz JBUGZCWJOSEKHL-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671382 774212858 /nfs/dbraw/zinc/21/28/58/774212858.db2.gz JBUGZCWJOSEKHL-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671382 774212864 /nfs/dbraw/zinc/21/28/64/774212864.db2.gz JBUGZCWJOSEKHL-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092907192 774315083 /nfs/dbraw/zinc/31/50/83/774315083.db2.gz XQCYYSPZAVDKNA-FGTMMUONSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907192 774315090 /nfs/dbraw/zinc/31/50/90/774315090.db2.gz XQCYYSPZAVDKNA-FGTMMUONSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907192 774315097 /nfs/dbraw/zinc/31/50/97/774315097.db2.gz XQCYYSPZAVDKNA-FGTMMUONSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762860 774516444 /nfs/dbraw/zinc/51/64/44/774516444.db2.gz QKJNJGARDOHQFE-NVXWUHKLSA-N 2 1 308.385 1.504 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036772781 774565277 /nfs/dbraw/zinc/56/52/77/774565277.db2.gz CGHUXVBEKDFTMZ-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036772781 774565278 /nfs/dbraw/zinc/56/52/78/774565278.db2.gz CGHUXVBEKDFTMZ-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036772975 774566270 /nfs/dbraw/zinc/56/62/70/774566270.db2.gz FTOFWZFDNFHTNQ-PBHICJAKSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841958 774691694 /nfs/dbraw/zinc/69/16/94/774691694.db2.gz UKPTZMOHUHGPHB-SCTDSRPQSA-N 2 1 315.461 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846316 774692928 /nfs/dbraw/zinc/69/29/28/774692928.db2.gz FGOUUWHWICQCHL-BMFAXAFESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846316 774692931 /nfs/dbraw/zinc/69/29/31/774692931.db2.gz FGOUUWHWICQCHL-BMFAXAFESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846316 774692932 /nfs/dbraw/zinc/69/29/32/774692932.db2.gz FGOUUWHWICQCHL-BMFAXAFESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463526 774753123 /nfs/dbraw/zinc/75/31/23/774753123.db2.gz WUUBINVNAXRLJC-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463526 774753126 /nfs/dbraw/zinc/75/31/26/774753126.db2.gz WUUBINVNAXRLJC-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099165791 774875744 /nfs/dbraw/zinc/87/57/44/774875744.db2.gz SFQUWDMIWGFLIO-RDJZCZTQSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099165791 774875753 /nfs/dbraw/zinc/87/57/53/774875753.db2.gz SFQUWDMIWGFLIO-RDJZCZTQSA-N 2 1 302.422 1.738 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310185 774941688 /nfs/dbraw/zinc/94/16/88/774941688.db2.gz JJMYKKQZTQAYHI-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310185 774941693 /nfs/dbraw/zinc/94/16/93/774941693.db2.gz JJMYKKQZTQAYHI-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310185 774941699 /nfs/dbraw/zinc/94/16/99/774941699.db2.gz JJMYKKQZTQAYHI-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099542595 775022110 /nfs/dbraw/zinc/02/21/10/775022110.db2.gz CCROVBZBUXLQRL-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099556955 775029477 /nfs/dbraw/zinc/02/94/77/775029477.db2.gz UJXFKLHYBMUDMM-QAETUUGQSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099556955 775029481 /nfs/dbraw/zinc/02/94/81/775029481.db2.gz UJXFKLHYBMUDMM-QAETUUGQSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099556955 775029487 /nfs/dbraw/zinc/02/94/87/775029487.db2.gz UJXFKLHYBMUDMM-QAETUUGQSA-N 2 1 303.450 1.129 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556782 775029831 /nfs/dbraw/zinc/02/98/31/775029831.db2.gz QOTCPNYFNZNIMQ-NXOAAHMSSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556782 775029839 /nfs/dbraw/zinc/02/98/39/775029839.db2.gz QOTCPNYFNZNIMQ-NXOAAHMSSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556782 775029845 /nfs/dbraw/zinc/02/98/45/775029845.db2.gz QOTCPNYFNZNIMQ-NXOAAHMSSA-N 2 1 305.466 1.681 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127024 775713261 /nfs/dbraw/zinc/71/32/61/775713261.db2.gz QSKVJALXKBKYJV-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450554 775889031 /nfs/dbraw/zinc/88/90/31/775889031.db2.gz UMZOIWMTAFUVER-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450554 775889036 /nfs/dbraw/zinc/88/90/36/775889036.db2.gz UMZOIWMTAFUVER-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450554 775889040 /nfs/dbraw/zinc/88/90/40/775889040.db2.gz UMZOIWMTAFUVER-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094584818 776104392 /nfs/dbraw/zinc/10/43/92/776104392.db2.gz GJIXDPPBPFKGEF-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094584818 776104394 /nfs/dbraw/zinc/10/43/94/776104394.db2.gz GJIXDPPBPFKGEF-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094584818 776104397 /nfs/dbraw/zinc/10/43/97/776104397.db2.gz GJIXDPPBPFKGEF-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150331602 777413037 /nfs/dbraw/zinc/41/30/37/777413037.db2.gz FDRMDBPAOHQDLC-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150331602 777413042 /nfs/dbraw/zinc/41/30/42/777413042.db2.gz FDRMDBPAOHQDLC-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150331602 777413044 /nfs/dbraw/zinc/41/30/44/777413044.db2.gz FDRMDBPAOHQDLC-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001176071003 778011078 /nfs/dbraw/zinc/01/10/78/778011078.db2.gz BBYOPGHORNTRJF-INIZCTEOSA-N 2 1 300.406 1.106 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368431 778099451 /nfs/dbraw/zinc/09/94/51/778099451.db2.gz SWZSCKRPKLCHNB-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368431 778099462 /nfs/dbraw/zinc/09/94/62/778099462.db2.gz SWZSCKRPKLCHNB-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](C)C1 ZINC001102368431 778099472 /nfs/dbraw/zinc/09/94/72/778099472.db2.gz SWZSCKRPKLCHNB-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102467853 778155472 /nfs/dbraw/zinc/15/54/72/778155472.db2.gz WYZRHMWCEWDKIR-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102467853 778155479 /nfs/dbraw/zinc/15/54/79/778155479.db2.gz WYZRHMWCEWDKIR-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177157411 778466248 /nfs/dbraw/zinc/46/62/48/778466248.db2.gz RXIXUSLFPKUOPR-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177157411 778466251 /nfs/dbraw/zinc/46/62/51/778466251.db2.gz RXIXUSLFPKUOPR-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157411 778466257 /nfs/dbraw/zinc/46/62/57/778466257.db2.gz RXIXUSLFPKUOPR-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157411 778466260 /nfs/dbraw/zinc/46/62/60/778466260.db2.gz RXIXUSLFPKUOPR-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001177416085 778588931 /nfs/dbraw/zinc/58/89/31/778588931.db2.gz UBOLMOVEWXBZSJ-FUHWJXTLSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438642 778868319 /nfs/dbraw/zinc/86/83/19/778868319.db2.gz UIEUVZJGWLNMME-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438642 778868321 /nfs/dbraw/zinc/86/83/21/778868321.db2.gz UIEUVZJGWLNMME-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438642 778868329 /nfs/dbraw/zinc/86/83/29/778868329.db2.gz UIEUVZJGWLNMME-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC001103752431 779030835 /nfs/dbraw/zinc/03/08/35/779030835.db2.gz FUUWCEFUQBPBEO-SJLPKXTDSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001179049646 779265182 /nfs/dbraw/zinc/26/51/82/779265182.db2.gz FWHCNRRWDROYSV-ZFWWWQNUSA-N 2 1 320.437 1.895 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001179978704 779565880 /nfs/dbraw/zinc/56/58/80/779565880.db2.gz IUHGXBRSRBKFCK-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285512 779690003 /nfs/dbraw/zinc/69/00/03/779690003.db2.gz ZZQKWGUSCIUBIP-JZXOWHBKSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001115773123 780418971 /nfs/dbraw/zinc/41/89/71/780418971.db2.gz MZNNWDFBUIHMLO-UHFFFAOYSA-N 2 1 321.465 1.141 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266487188 836334504 /nfs/dbraw/zinc/33/45/04/836334504.db2.gz VMWHGVKVCJRYPK-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267469076 838120475 /nfs/dbraw/zinc/12/04/75/838120475.db2.gz HABPZEJPQPVMQP-HNNXBMFYSA-N 2 1 318.396 1.197 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267923397 839200898 /nfs/dbraw/zinc/20/08/98/839200898.db2.gz UOLBCZRHPDDLES-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253079 839900418 /nfs/dbraw/zinc/90/04/18/839900418.db2.gz KKTQUJKRZRAHPR-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253079 839900423 /nfs/dbraw/zinc/90/04/23/839900423.db2.gz KKTQUJKRZRAHPR-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268253079 839900434 /nfs/dbraw/zinc/90/04/34/839900434.db2.gz KKTQUJKRZRAHPR-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268253079 839900438 /nfs/dbraw/zinc/90/04/38/839900438.db2.gz KKTQUJKRZRAHPR-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001269348726 841550035 /nfs/dbraw/zinc/55/00/35/841550035.db2.gz NCIKQZDEAMCJRP-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001269348726 841550038 /nfs/dbraw/zinc/55/00/38/841550038.db2.gz NCIKQZDEAMCJRP-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269348726 841550045 /nfs/dbraw/zinc/55/00/45/841550045.db2.gz NCIKQZDEAMCJRP-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001270886289 843014795 /nfs/dbraw/zinc/01/47/95/843014795.db2.gz VLQDLZPGECKJBE-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001270886289 843014797 /nfs/dbraw/zinc/01/47/97/843014797.db2.gz VLQDLZPGECKJBE-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001154876981 861532880 /nfs/dbraw/zinc/53/28/80/861532880.db2.gz ZSDSWSVMGWFUPW-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876981 861532883 /nfs/dbraw/zinc/53/28/83/861532883.db2.gz ZSDSWSVMGWFUPW-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876981 861532888 /nfs/dbraw/zinc/53/28/88/861532888.db2.gz ZSDSWSVMGWFUPW-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001272533981 846281869 /nfs/dbraw/zinc/28/18/69/846281869.db2.gz LRGRGMVEFGSHML-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001272661177 846506603 /nfs/dbraw/zinc/50/66/03/846506603.db2.gz ZVSYPAUHGQWPMA-HOTGVXAUSA-N 2 1 323.481 1.166 20 30 DDEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997000810 847103483 /nfs/dbraw/zinc/10/34/83/847103483.db2.gz WZNNFADHGDMGIT-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997000810 847103486 /nfs/dbraw/zinc/10/34/86/847103486.db2.gz WZNNFADHGDMGIT-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001327036486 861819265 /nfs/dbraw/zinc/81/92/65/861819265.db2.gz UIBVJRXOKPFJKP-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001273084719 847886355 /nfs/dbraw/zinc/88/63/55/847886355.db2.gz XWMZBUWVUGQXGE-MRXNPFEDSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCN(CC(=C)Cl)CC1 ZINC001005519408 848081800 /nfs/dbraw/zinc/08/18/00/848081800.db2.gz UEJVVGCUWAQSIE-INIZCTEOSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034213379 848120367 /nfs/dbraw/zinc/12/03/67/848120367.db2.gz XFHMIFKQSOEVBR-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258419 848182829 /nfs/dbraw/zinc/18/28/29/848182829.db2.gz WHLYPRVTXILFSK-QGZVFWFLSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238032 861885985 /nfs/dbraw/zinc/88/59/85/861885985.db2.gz VZRWENHFLDZYON-PBHICJAKSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155238032 861886001 /nfs/dbraw/zinc/88/60/01/861886001.db2.gz VZRWENHFLDZYON-PBHICJAKSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155238032 861886020 /nfs/dbraw/zinc/88/60/20/861886020.db2.gz VZRWENHFLDZYON-PBHICJAKSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034369745 848396570 /nfs/dbraw/zinc/39/65/70/848396570.db2.gz UOPCZPLREHXZEV-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034369745 848396580 /nfs/dbraw/zinc/39/65/80/848396580.db2.gz UOPCZPLREHXZEV-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034369745 848396586 /nfs/dbraw/zinc/39/65/86/848396586.db2.gz UOPCZPLREHXZEV-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034365570 848421904 /nfs/dbraw/zinc/42/19/04/848421904.db2.gz CKSOXJSKFLBFAN-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365570 848421908 /nfs/dbraw/zinc/42/19/08/848421908.db2.gz CKSOXJSKFLBFAN-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365570 848421909 /nfs/dbraw/zinc/42/19/09/848421909.db2.gz CKSOXJSKFLBFAN-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273144257 848564842 /nfs/dbraw/zinc/56/48/42/848564842.db2.gz ONTUYESCJHFOCI-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144506 848566594 /nfs/dbraw/zinc/56/65/94/848566594.db2.gz QIZGXWACYVAGRU-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144506 848566597 /nfs/dbraw/zinc/56/65/97/848566597.db2.gz QIZGXWACYVAGRU-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144506 848566601 /nfs/dbraw/zinc/56/66/01/848566601.db2.gz QIZGXWACYVAGRU-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149841914 861937822 /nfs/dbraw/zinc/93/78/22/861937822.db2.gz MLAPGSYOSNVMFW-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001410470308 849371803 /nfs/dbraw/zinc/37/18/03/849371803.db2.gz FBEPJHZHADEUJY-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351426 862191404 /nfs/dbraw/zinc/19/14/04/862191404.db2.gz YOCDNWNWIWAGTC-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP N#CCCCC[N@@H+]1CCC[C@]12CCN(CCn1ccnc1)C2=O ZINC001274041964 851882986 /nfs/dbraw/zinc/88/29/86/851882986.db2.gz AEHGPFJVTBYUTK-QGZVFWFLSA-N 2 1 315.421 1.644 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001274447611 852281036 /nfs/dbraw/zinc/28/10/36/852281036.db2.gz YEBNRLMDVIKGHB-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731924 862440567 /nfs/dbraw/zinc/44/05/67/862440567.db2.gz VDMWTUVNJWQCFS-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731924 862440573 /nfs/dbraw/zinc/44/05/73/862440573.db2.gz VDMWTUVNJWQCFS-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001155789172 862449169 /nfs/dbraw/zinc/44/91/69/862449169.db2.gz AJWUUCSWNXFIEV-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001155790923 862454904 /nfs/dbraw/zinc/45/49/04/862454904.db2.gz PEHNJSSFWZPUEG-MRXNPFEDSA-N 2 1 300.406 1.248 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001151019416 862580490 /nfs/dbraw/zinc/58/04/90/862580490.db2.gz YUCDRYOXTPMBHG-HZPDHXFCSA-N 2 1 305.397 1.805 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001327996187 862621363 /nfs/dbraw/zinc/62/13/63/862621363.db2.gz SXCHQXAKBASJAG-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006444092 855440317 /nfs/dbraw/zinc/44/03/17/855440317.db2.gz RIKURLQYSDLKNM-IYBDPMFKSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001151413542 862762880 /nfs/dbraw/zinc/76/28/80/862762880.db2.gz YUOAKWXQJOJOFH-UHFFFAOYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001328531535 863040468 /nfs/dbraw/zinc/04/04/68/863040468.db2.gz YPTUFACXINRUAQ-INIZCTEOSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122100813 858686427 /nfs/dbraw/zinc/68/64/27/858686427.db2.gz ANQFIHVRVHPDSB-UHFFFAOYSA-N 2 1 305.466 1.759 20 30 DDEDMP COCC#CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001329256289 863564008 /nfs/dbraw/zinc/56/40/08/863564008.db2.gz ADRWHIBSUROIMP-UHFFFAOYSA-N 2 1 323.481 1.336 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001225168354 881712098 /nfs/dbraw/zinc/71/20/98/881712098.db2.gz UWOZYRJCEDOMTP-OAHLLOKOSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225168354 881712111 /nfs/dbraw/zinc/71/21/11/881712111.db2.gz UWOZYRJCEDOMTP-OAHLLOKOSA-N 2 1 313.873 1.909 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702489 864060851 /nfs/dbraw/zinc/06/08/51/864060851.db2.gz UXKSWKAMENUEPW-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157702489 864060867 /nfs/dbraw/zinc/06/08/67/864060867.db2.gz UXKSWKAMENUEPW-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157702489 864060873 /nfs/dbraw/zinc/06/08/73/864060873.db2.gz UXKSWKAMENUEPW-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001330085914 864073611 /nfs/dbraw/zinc/07/36/11/864073611.db2.gz NPJKFQPXOYIESM-DOTOQJQBSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001331029091 864786358 /nfs/dbraw/zinc/78/63/58/864786358.db2.gz MTTHZSNTQNIOHG-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001331029091 864786369 /nfs/dbraw/zinc/78/63/69/864786369.db2.gz MTTHZSNTQNIOHG-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001331029091 864786374 /nfs/dbraw/zinc/78/63/74/864786374.db2.gz MTTHZSNTQNIOHG-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001331358256 865032250 /nfs/dbraw/zinc/03/22/50/865032250.db2.gz BFNXWOUZOVSAKP-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP N#Cc1cccc(C[NH2+]CCCNC(=O)CCc2cnc[nH]2)c1 ZINC001159528413 865380188 /nfs/dbraw/zinc/38/01/88/865380188.db2.gz XZFFDOMMQLWPJU-UHFFFAOYSA-N 2 1 311.389 1.510 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001331926656 865437299 /nfs/dbraw/zinc/43/72/99/865437299.db2.gz MGWKXYSEYKVROF-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccnc1C ZINC001160198313 865722615 /nfs/dbraw/zinc/72/26/15/865722615.db2.gz ZTCDTZVAAMWYOJ-KRWDZBQOSA-N 2 1 314.433 1.084 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccnc1C ZINC001160198313 865722624 /nfs/dbraw/zinc/72/26/24/865722624.db2.gz ZTCDTZVAAMWYOJ-KRWDZBQOSA-N 2 1 314.433 1.084 20 30 DDEDMP C=CCOCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001333012777 866338283 /nfs/dbraw/zinc/33/82/83/866338283.db2.gz DMIQIDUYNNBIHY-RDJZCZTQSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001320115118 866484894 /nfs/dbraw/zinc/48/48/94/866484894.db2.gz OBUKGDXOMLNOOH-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001324078346 867053606 /nfs/dbraw/zinc/05/36/06/867053606.db2.gz ZWRNQZOVSXFSLZ-UONOGXRCSA-N 2 1 320.437 1.895 20 30 DDEDMP CC[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336764171 869130544 /nfs/dbraw/zinc/13/05/44/869130544.db2.gz VRKVFGCWPWODAZ-HNNXBMFYSA-N 2 1 300.406 1.818 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596957 869315999 /nfs/dbraw/zinc/31/59/99/869315999.db2.gz UKOOXBQHAMLDPQ-JKSUJKDBSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001317042337 870154781 /nfs/dbraw/zinc/15/47/81/870154781.db2.gz FBWLHOKEGKUZIR-RRFJBIMHSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001317042337 870154786 /nfs/dbraw/zinc/15/47/86/870154786.db2.gz FBWLHOKEGKUZIR-RRFJBIMHSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317355537 870695163 /nfs/dbraw/zinc/69/51/63/870695163.db2.gz CZEOXDWGOPARCJ-IAGOWNOFSA-N 2 1 321.465 1.139 20 30 DDEDMP C=C[C@@H](CC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001340943401 871434559 /nfs/dbraw/zinc/43/45/59/871434559.db2.gz TUOADUCHFCMRDJ-HNNXBMFYSA-N 2 1 301.434 1.886 20 30 DDEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001317719680 871437604 /nfs/dbraw/zinc/43/76/04/871437604.db2.gz ZYDSUXAAHAAKTG-KBAYOESNSA-N 2 1 313.445 1.797 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC[C@H](C)F)CC1 ZINC001205479153 871575449 /nfs/dbraw/zinc/57/54/49/871575449.db2.gz BPGNRLBDTOMYGC-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC[C@H](C)F)CC1 ZINC001205479153 871575463 /nfs/dbraw/zinc/57/54/63/871575463.db2.gz BPGNRLBDTOMYGC-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1CC#CCOC ZINC001316735002 871984303 /nfs/dbraw/zinc/98/43/03/871984303.db2.gz WBXINPWJUCYKIM-BBWFWOEESA-N 2 1 323.481 1.192 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206444761 872330030 /nfs/dbraw/zinc/33/00/30/872330030.db2.gz GFTLABNKKRMBOS-UHFFFAOYSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001319394874 872609540 /nfs/dbraw/zinc/60/95/40/872609540.db2.gz NOQLZLRNZHTDJQ-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467534 874167283 /nfs/dbraw/zinc/16/72/83/874167283.db2.gz OVOGSHVENPLTOF-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209689262 875057094 /nfs/dbraw/zinc/05/70/94/875057094.db2.gz JVAWIBWXWWOZHO-GOSISDBHSA-N 2 1 315.461 1.928 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855650 876482667 /nfs/dbraw/zinc/48/26/67/876482667.db2.gz JVLIGMLFMYODOT-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC001353111202 877127620 /nfs/dbraw/zinc/12/76/20/877127620.db2.gz XUQOKYKFTXDUSL-MRXNPFEDSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC001353111202 877127628 /nfs/dbraw/zinc/12/76/28/877127628.db2.gz XUQOKYKFTXDUSL-MRXNPFEDSA-N 2 1 306.454 1.067 20 30 DDEDMP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001379522577 877292584 /nfs/dbraw/zinc/29/25/84/877292584.db2.gz RLANIXLRGDRRJR-BLLLJJGKSA-N 2 1 320.412 1.632 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001379723967 877833719 /nfs/dbraw/zinc/83/37/19/877833719.db2.gz NSGBHCGWYYSBAO-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052259 877892306 /nfs/dbraw/zinc/89/23/06/877892306.db2.gz PGCVGCOLPDTDLK-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220826274 879290538 /nfs/dbraw/zinc/29/05/38/879290538.db2.gz VRKOSSQANDOVJC-XHSDSOJGSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826274 879290549 /nfs/dbraw/zinc/29/05/49/879290549.db2.gz VRKOSSQANDOVJC-XHSDSOJGSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826274 879290561 /nfs/dbraw/zinc/29/05/61/879290561.db2.gz VRKOSSQANDOVJC-XHSDSOJGSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994246 879434478 /nfs/dbraw/zinc/43/44/78/879434478.db2.gz ICBJQORNGFMOBX-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945230 880162725 /nfs/dbraw/zinc/16/27/25/880162725.db2.gz JPRNRHZXQFPPPF-GVDBMIGSSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945230 880162736 /nfs/dbraw/zinc/16/27/36/880162736.db2.gz JPRNRHZXQFPPPF-GVDBMIGSSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945230 880162749 /nfs/dbraw/zinc/16/27/49/880162749.db2.gz JPRNRHZXQFPPPF-GVDBMIGSSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223388143 880940595 /nfs/dbraw/zinc/94/05/95/880940595.db2.gz YEURPIANLYSGIW-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001276954676 881285850 /nfs/dbraw/zinc/28/58/50/881285850.db2.gz BDOKUTRLHSBKRC-FPCVCCKLSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001276954676 881285859 /nfs/dbraw/zinc/28/58/59/881285859.db2.gz BDOKUTRLHSBKRC-FPCVCCKLSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001229185226 883861356 /nfs/dbraw/zinc/86/13/56/883861356.db2.gz JICPXIXHDDYRCH-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001277654686 886333713 /nfs/dbraw/zinc/33/37/13/886333713.db2.gz BUVJQSWZEZIBFD-ZWKOTPCHSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001277654686 886333726 /nfs/dbraw/zinc/33/37/26/886333726.db2.gz BUVJQSWZEZIBFD-ZWKOTPCHSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001277655020 886337230 /nfs/dbraw/zinc/33/72/30/886337230.db2.gz HOEUPLDEZMKGAR-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001277938251 888572854 /nfs/dbraw/zinc/57/28/54/888572854.db2.gz QRRRSRXPBBVMEA-INIZCTEOSA-N 2 1 301.434 1.231 20 30 DDEDMP C=CCOC[C@H]1C[N@H+](CCCC[NH3+])Cc2nnn(CC3CC3)c21 ZINC001235532052 888715786 /nfs/dbraw/zinc/71/57/86/888715786.db2.gz WVSLOGYWPJJRNN-OAHLLOKOSA-N 2 1 319.453 1.529 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)CC2)cc1 ZINC001246855052 892943403 /nfs/dbraw/zinc/94/34/03/892943403.db2.gz SEWXYYCQILJNNG-VQIMIIECSA-N 2 1 324.428 1.586 20 30 DDEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+](C3CCC(C#N)CC3)C[C@H]1C2 ZINC001246858485 892946991 /nfs/dbraw/zinc/94/69/91/892946991.db2.gz MDXHWPZFRPKIJX-CBWDHWGXSA-N 2 1 317.433 1.399 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258729459 898304029 /nfs/dbraw/zinc/30/40/29/898304029.db2.gz VYNOTNHUQJHOTG-BRWVUGGUSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258729459 898304040 /nfs/dbraw/zinc/30/40/40/898304040.db2.gz VYNOTNHUQJHOTG-BRWVUGGUSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258729459 898304054 /nfs/dbraw/zinc/30/40/54/898304054.db2.gz VYNOTNHUQJHOTG-BRWVUGGUSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258729459 898304070 /nfs/dbraw/zinc/30/40/70/898304070.db2.gz VYNOTNHUQJHOTG-BRWVUGGUSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001258729825 898304871 /nfs/dbraw/zinc/30/48/71/898304871.db2.gz YRFGRQNKEMKQSY-CQSZACIVSA-N 2 1 304.438 1.865 20 30 DDEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCn1cc[nH+]c1C ZINC001264561478 901185063 /nfs/dbraw/zinc/18/50/63/901185063.db2.gz ODJFOKAUAZOASO-WBVHZDCISA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001279280840 903210188 /nfs/dbraw/zinc/21/01/88/903210188.db2.gz TVQUMYIVIASEFB-GTPINHCMSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001280039912 903496135 /nfs/dbraw/zinc/49/61/35/903496135.db2.gz DTWJXYRKTVGWPA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)CCC[NH+](C)C ZINC001392506855 904304045 /nfs/dbraw/zinc/30/40/45/904304045.db2.gz NOMZNKMBTWEKIC-CYBMUJFWSA-N 2 1 320.412 1.633 20 30 DDEDMP C=CCOCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284618642 909264174 /nfs/dbraw/zinc/26/41/74/909264174.db2.gz MMLFPZRKVQHJSU-CABCVRRESA-N 2 1 311.470 1.404 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001373638709 910449203 /nfs/dbraw/zinc/44/92/03/910449203.db2.gz HIPXUMNZWVKDTK-MRXNPFEDSA-N 2 1 300.406 1.200 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001373638709 910449212 /nfs/dbraw/zinc/44/92/12/910449212.db2.gz HIPXUMNZWVKDTK-MRXNPFEDSA-N 2 1 300.406 1.200 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001376148625 917813179 /nfs/dbraw/zinc/81/31/79/917813179.db2.gz HWHVQUNKJYENPQ-GFCCVEGCSA-N 2 1 306.435 1.262 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001376148625 917813190 /nfs/dbraw/zinc/81/31/90/917813190.db2.gz HWHVQUNKJYENPQ-GFCCVEGCSA-N 2 1 306.435 1.262 20 30 DDEDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600736702 358301815 /nfs/dbraw/zinc/30/18/15/358301815.db2.gz QGDAJCDSYJWJAR-HZPDHXFCSA-N 2 1 309.454 1.379 20 30 DDEDMP N#CC1(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000602847236 359235214 /nfs/dbraw/zinc/23/52/14/359235214.db2.gz JWSXFIIJXQOJQR-UHFFFAOYSA-N 2 1 313.405 1.156 20 30 DDEDMP N#CC1(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000602847236 359235216 /nfs/dbraw/zinc/23/52/16/359235216.db2.gz JWSXFIIJXQOJQR-UHFFFAOYSA-N 2 1 313.405 1.156 20 30 DDEDMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC000602853299 359240443 /nfs/dbraw/zinc/24/04/43/359240443.db2.gz HOPBYUACSCDZQP-HDICACEKSA-N 2 1 321.513 1.321 20 30 DDEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000602876187 359260179 /nfs/dbraw/zinc/26/01/79/359260179.db2.gz FWASFWSOVWRFGJ-QGZVFWFLSA-N 2 1 309.454 1.475 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000265042940 204361639 /nfs/dbraw/zinc/36/16/39/204361639.db2.gz NMRDDKOGDRZCNK-AWEZNQCLSA-N 2 1 300.406 1.770 20 30 DDEDMP C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)[NH+]1CCSCC1 ZINC000151737812 407489911 /nfs/dbraw/zinc/48/99/11/407489911.db2.gz DPDKMEYELUSONW-CQSZACIVSA-N 2 1 312.483 1.118 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCC[C@@H](C)C1 ZINC000170913362 407556478 /nfs/dbraw/zinc/55/64/78/407556478.db2.gz YSDKJZNORKGCQI-CQSZACIVSA-N 2 1 304.438 1.831 20 30 DDEDMP C=CCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000161495414 408607948 /nfs/dbraw/zinc/60/79/48/408607948.db2.gz PVTYZRAPCFTCGM-UHFFFAOYSA-N 2 1 301.438 1.024 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000294894362 409306064 /nfs/dbraw/zinc/30/60/64/409306064.db2.gz FEUHSPRHBHLZDZ-HNNXBMFYSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000294894362 409306066 /nfs/dbraw/zinc/30/60/66/409306066.db2.gz FEUHSPRHBHLZDZ-HNNXBMFYSA-N 2 1 317.433 1.957 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000305857849 409768492 /nfs/dbraw/zinc/76/84/92/409768492.db2.gz XAUPIQHHRRNLCH-UJJTZGENSA-N 2 1 307.482 1.556 20 30 DDEDMP CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330286534 410614370 /nfs/dbraw/zinc/61/43/70/410614370.db2.gz ZYJXQPAYQOORTN-KBPBESRZSA-N 2 1 305.426 1.386 20 30 DDEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330286534 410614372 /nfs/dbraw/zinc/61/43/72/410614372.db2.gz ZYJXQPAYQOORTN-KBPBESRZSA-N 2 1 305.426 1.386 20 30 DDEDMP C=CCOc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352715260 410674658 /nfs/dbraw/zinc/67/46/58/410674658.db2.gz CGCCBFPNDFUPQZ-KRWDZBQOSA-N 2 1 301.434 1.731 20 30 DDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1F ZINC000423169173 227387574 /nfs/dbraw/zinc/38/75/74/227387574.db2.gz ZHAWAQPSOBYSLS-USXIJHARSA-N 2 1 303.381 1.944 20 30 DDEDMP CCc1cnc(CNC(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)=[NH+]C)s1 ZINC000261994390 222267446 /nfs/dbraw/zinc/26/74/46/222267446.db2.gz SBSDPVDEPKWWMM-RISCZKNCSA-N 2 1 321.494 1.853 20 30 DDEDMP C[NH+]=C(NCc1cnc(C)s1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261656845 222252772 /nfs/dbraw/zinc/25/27/72/222252772.db2.gz AFUCHWLIMMZTKQ-YGRLFVJLSA-N 2 1 307.467 1.599 20 30 DDEDMP CCN(CC)C(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264129829 222322595 /nfs/dbraw/zinc/32/25/95/222322595.db2.gz XPXQXCDJCTUYHD-UHFFFAOYSA-N 2 1 318.469 1.250 20 30 DDEDMP CC[N@@H+](CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1)C1CC1 ZINC000264319548 222330566 /nfs/dbraw/zinc/33/05/66/222330566.db2.gz XJDXUFQEMPDFLQ-UHFFFAOYSA-N 2 1 320.437 1.592 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262481621 222283218 /nfs/dbraw/zinc/28/32/18/222283218.db2.gz RQTMDYMESKDYGN-QLFBSQMISA-N 2 1 310.486 1.778 20 30 DDEDMP C#C[C@H](C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378065851 418718871 /nfs/dbraw/zinc/71/88/71/418718871.db2.gz DDSYCCVZVFEYHY-HNNXBMFYSA-N 2 1 320.481 1.504 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000365180244 418842397 /nfs/dbraw/zinc/84/23/97/418842397.db2.gz DHSJVMTYDIQNEB-IRXDYDNUSA-N 2 1 320.481 1.953 20 30 DDEDMP C=CCOc1ccc(C[NH2+]C[C@@H]2CNCCN2C)cc1Cl ZINC000414959371 419893527 /nfs/dbraw/zinc/89/35/27/419893527.db2.gz FFIZGSXSBJETPQ-AWEZNQCLSA-N 2 1 309.841 1.898 20 30 DDEDMP Cc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1C#N ZINC000443985801 230041832 /nfs/dbraw/zinc/04/18/32/230041832.db2.gz ZMAXPTSMSBNITB-UHFFFAOYSA-N 2 1 300.406 1.120 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000491655945 421201047 /nfs/dbraw/zinc/20/10/47/421201047.db2.gz HULGODKNLXRTEU-OAHLLOKOSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000491655945 421201048 /nfs/dbraw/zinc/20/10/48/421201048.db2.gz HULGODKNLXRTEU-OAHLLOKOSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000491655945 421201050 /nfs/dbraw/zinc/20/10/50/421201050.db2.gz HULGODKNLXRTEU-OAHLLOKOSA-N 2 1 306.454 1.067 20 30 DDEDMP CCN(CC#N)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565663688 421599481 /nfs/dbraw/zinc/59/94/81/421599481.db2.gz BCKVLTLHTRFBAZ-UHFFFAOYSA-N 2 1 306.454 1.555 20 30 DDEDMP C=CCn1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nn1 ZINC000643794522 423351792 /nfs/dbraw/zinc/35/17/92/423351792.db2.gz XFBHWHNXAXNSHI-UHFFFAOYSA-N 2 1 315.421 1.694 20 30 DDEDMP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nn1 ZINC000655940807 424695023 /nfs/dbraw/zinc/69/50/23/424695023.db2.gz YFJAYHVVBWTPRI-ZMSDIMECSA-N 2 1 319.453 1.573 20 30 DDEDMP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nn1 ZINC000655940807 424695026 /nfs/dbraw/zinc/69/50/26/424695026.db2.gz YFJAYHVVBWTPRI-ZMSDIMECSA-N 2 1 319.453 1.573 20 30 DDEDMP C=CC[C@@]1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000662749574 424754854 /nfs/dbraw/zinc/75/48/54/424754854.db2.gz JUAFEZZZQVSEMB-AEFFLSMTSA-N 2 1 305.466 1.875 20 30 DDEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000089676096 281022811 /nfs/dbraw/zinc/02/28/11/281022811.db2.gz OSEPWRRBHBQEJB-CQSZACIVSA-N 2 1 318.425 1.246 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000089676096 281022812 /nfs/dbraw/zinc/02/28/12/281022812.db2.gz OSEPWRRBHBQEJB-CQSZACIVSA-N 2 1 318.425 1.246 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C#N ZINC000542878092 341024687 /nfs/dbraw/zinc/02/46/87/341024687.db2.gz TXBVEINVUMBTBJ-GJZGRUSLSA-N 2 1 309.458 1.204 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000491700291 526806694 /nfs/dbraw/zinc/80/66/94/526806694.db2.gz CXWIEJCDJSDHOY-HOTGVXAUSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000491700291 526806700 /nfs/dbraw/zinc/80/67/00/526806700.db2.gz CXWIEJCDJSDHOY-HOTGVXAUSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000491700291 526806707 /nfs/dbraw/zinc/80/67/07/526806707.db2.gz CXWIEJCDJSDHOY-HOTGVXAUSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000491688662 526807699 /nfs/dbraw/zinc/80/76/99/526807699.db2.gz CLSVSUFJPNIYFF-UHFFFAOYSA-N 2 1 308.470 1.492 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972436729 695251250 /nfs/dbraw/zinc/25/12/50/695251250.db2.gz CSIJAMFCARILHQ-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972436729 695251251 /nfs/dbraw/zinc/25/12/51/695251251.db2.gz CSIJAMFCARILHQ-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972436729 695251252 /nfs/dbraw/zinc/25/12/52/695251252.db2.gz CSIJAMFCARILHQ-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974578514 695689126 /nfs/dbraw/zinc/68/91/26/695689126.db2.gz PWVVSYMIRKSPMY-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000974578514 695689127 /nfs/dbraw/zinc/68/91/27/695689127.db2.gz PWVVSYMIRKSPMY-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974652001 695704655 /nfs/dbraw/zinc/70/46/55/695704655.db2.gz OKCDBNMECFXNIM-IRXDYDNUSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652001 695704656 /nfs/dbraw/zinc/70/46/56/695704656.db2.gz OKCDBNMECFXNIM-IRXDYDNUSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652001 695704657 /nfs/dbraw/zinc/70/46/57/695704657.db2.gz OKCDBNMECFXNIM-IRXDYDNUSA-N 2 1 319.493 1.814 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481524 696182856 /nfs/dbraw/zinc/18/28/56/696182856.db2.gz YUWTVLWVRJDTIR-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978279458 696357203 /nfs/dbraw/zinc/35/72/03/696357203.db2.gz WKJLCHVOEOTGMN-JONQDZQNSA-N 2 1 312.417 1.078 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978279458 696357205 /nfs/dbraw/zinc/35/72/05/696357205.db2.gz WKJLCHVOEOTGMN-JONQDZQNSA-N 2 1 312.417 1.078 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978401177 696376959 /nfs/dbraw/zinc/37/69/59/696376959.db2.gz BJUCLXGPIJBWHO-NNZMDNLPSA-N 2 1 322.412 1.574 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978634526 696429617 /nfs/dbraw/zinc/42/96/17/696429617.db2.gz ZMSNZEDAAQGIGM-DZUCGIPZSA-N 2 1 314.433 1.234 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978634526 696429619 /nfs/dbraw/zinc/42/96/19/696429619.db2.gz ZMSNZEDAAQGIGM-DZUCGIPZSA-N 2 1 314.433 1.234 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776250 696912056 /nfs/dbraw/zinc/91/20/56/696912056.db2.gz JOKKSDPUJZNONE-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981776250 696912059 /nfs/dbraw/zinc/91/20/59/696912059.db2.gz JOKKSDPUJZNONE-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981776250 696912061 /nfs/dbraw/zinc/91/20/61/696912061.db2.gz JOKKSDPUJZNONE-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820562 696930695 /nfs/dbraw/zinc/93/06/95/696930695.db2.gz WDAVZMIWHPWONL-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820562 696930697 /nfs/dbraw/zinc/93/06/97/696930697.db2.gz WDAVZMIWHPWONL-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820562 696930699 /nfs/dbraw/zinc/93/06/99/696930699.db2.gz WDAVZMIWHPWONL-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820562 696930702 /nfs/dbraw/zinc/93/07/02/696930702.db2.gz WDAVZMIWHPWONL-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822121 696932370 /nfs/dbraw/zinc/93/23/70/696932370.db2.gz HHZNGOJPDUNIRY-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822121 696932373 /nfs/dbraw/zinc/93/23/73/696932373.db2.gz HHZNGOJPDUNIRY-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981822121 696932375 /nfs/dbraw/zinc/93/23/75/696932375.db2.gz HHZNGOJPDUNIRY-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013523 697003668 /nfs/dbraw/zinc/00/36/68/697003668.db2.gz UKQSRGHXTQNYTI-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013523 697003670 /nfs/dbraw/zinc/00/36/70/697003670.db2.gz UKQSRGHXTQNYTI-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013523 697003671 /nfs/dbraw/zinc/00/36/71/697003671.db2.gz UKQSRGHXTQNYTI-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982042240 697011874 /nfs/dbraw/zinc/01/18/74/697011874.db2.gz JJFMVUAOZPPQLH-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000982042240 697011876 /nfs/dbraw/zinc/01/18/76/697011876.db2.gz JJFMVUAOZPPQLH-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982117032 697034761 /nfs/dbraw/zinc/03/47/61/697034761.db2.gz XOWXOZLQHRSONU-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982117032 697034764 /nfs/dbraw/zinc/03/47/64/697034764.db2.gz XOWXOZLQHRSONU-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982117032 697034767 /nfs/dbraw/zinc/03/47/67/697034767.db2.gz XOWXOZLQHRSONU-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982119835 697035062 /nfs/dbraw/zinc/03/50/62/697035062.db2.gz HZWSESWXRLGVBU-UHFFFAOYSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982162636 697046027 /nfs/dbraw/zinc/04/60/27/697046027.db2.gz XFLNIRVAZLEIFP-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279843 697082343 /nfs/dbraw/zinc/08/23/43/697082343.db2.gz KKHBCDATBNBHCO-QRQLOZEOSA-N 2 1 317.477 1.685 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553777 697149350 /nfs/dbraw/zinc/14/93/50/697149350.db2.gz QFFMEINURIWVOF-JFRXWTBNSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553777 697149351 /nfs/dbraw/zinc/14/93/51/697149351.db2.gz QFFMEINURIWVOF-JFRXWTBNSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553777 697149352 /nfs/dbraw/zinc/14/93/52/697149352.db2.gz QFFMEINURIWVOF-JFRXWTBNSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987103161 697993865 /nfs/dbraw/zinc/99/38/65/697993865.db2.gz DWGKMMGQSMURSH-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000303892650 698609901 /nfs/dbraw/zinc/60/99/01/698609901.db2.gz NUTLGLWFQQCNDI-AWEZNQCLSA-N 2 1 319.428 1.214 20 30 DDEDMP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000304243742 698616083 /nfs/dbraw/zinc/61/60/83/698616083.db2.gz UFWQTMHUMOTNPP-OAHLLOKOSA-N 2 1 317.433 1.914 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)ccc1O ZINC000304739512 698623583 /nfs/dbraw/zinc/62/35/83/698623583.db2.gz BGTMJDOOFXRNMI-ZDUSSCGKSA-N 2 1 306.410 1.289 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000730105355 699501481 /nfs/dbraw/zinc/50/14/81/699501481.db2.gz GBFYLFTZRYBICH-DLBZAZTESA-N 2 1 317.408 1.642 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000730105355 699501483 /nfs/dbraw/zinc/50/14/83/699501483.db2.gz GBFYLFTZRYBICH-DLBZAZTESA-N 2 1 317.408 1.642 20 30 DDEDMP C[NH+]1CCN(c2ccc(C=[NH+]NCC(F)(F)F)cc2)CC1 ZINC000769807972 701257195 /nfs/dbraw/zinc/25/71/95/701257195.db2.gz DYOYBZCFMPVLBZ-UHFFFAOYSA-N 2 1 300.328 1.924 20 30 DDEDMP CC(=NNCCC[NH+]1CCOCC1)c1cccc(C[NH+](C)C)c1 ZINC000814923227 701771906 /nfs/dbraw/zinc/77/19/06/701771906.db2.gz CNIPIHMIBAWSPM-UHFFFAOYSA-N 2 1 318.465 1.784 20 30 DDEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000843062918 702811307 /nfs/dbraw/zinc/81/13/07/702811307.db2.gz UHORSBXDKAKXBS-IAGOWNOFSA-N 2 1 303.406 1.028 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000848981537 703606556 /nfs/dbraw/zinc/60/65/56/703606556.db2.gz OMGOGXBVBGWOLO-ZDUSSCGKSA-N 2 1 307.467 1.337 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664508 706757300 /nfs/dbraw/zinc/75/73/00/706757300.db2.gz FEKQEKNHPKLRNE-HOCLYGCPSA-N 2 1 301.390 1.833 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000866664508 706757303 /nfs/dbraw/zinc/75/73/03/706757303.db2.gz FEKQEKNHPKLRNE-HOCLYGCPSA-N 2 1 301.390 1.833 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000852879305 704158713 /nfs/dbraw/zinc/15/87/13/704158713.db2.gz UTFGWMOGORGKGF-QGZVFWFLSA-N 2 1 315.392 1.302 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000876948280 705934311 /nfs/dbraw/zinc/93/43/11/705934311.db2.gz KJZHEOVIRICDFF-JKSUJKDBSA-N 2 1 321.852 1.842 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000876948280 705934312 /nfs/dbraw/zinc/93/43/12/705934312.db2.gz KJZHEOVIRICDFF-JKSUJKDBSA-N 2 1 321.852 1.842 20 30 DDEDMP N#Cc1cnc(Cl)c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000877041181 705969307 /nfs/dbraw/zinc/96/93/07/705969307.db2.gz JGZLHHOXAPVHOY-HNNXBMFYSA-N 2 1 322.840 1.933 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000926868136 712914566 /nfs/dbraw/zinc/91/45/66/712914566.db2.gz NQIWNJDCLRIMEL-OOKSDGMUSA-N 2 1 305.466 1.315 20 30 DDEDMP C=CCN1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000887134070 708967597 /nfs/dbraw/zinc/96/75/97/708967597.db2.gz BHRRSKOPFZVADV-ZBFHGGJFSA-N 2 1 300.406 1.379 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000887134070 708967598 /nfs/dbraw/zinc/96/75/98/708967598.db2.gz BHRRSKOPFZVADV-ZBFHGGJFSA-N 2 1 300.406 1.379 20 30 DDEDMP C#CC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000889332907 709475674 /nfs/dbraw/zinc/47/56/74/709475674.db2.gz NWAHZYKKSHTWTR-JKSUJKDBSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000889332907 709475676 /nfs/dbraw/zinc/47/56/76/709475676.db2.gz NWAHZYKKSHTWTR-JKSUJKDBSA-N 2 1 308.470 1.313 20 30 DDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(C#N)ccn2)C1 ZINC000902727350 710880655 /nfs/dbraw/zinc/88/06/55/710880655.db2.gz WJMLVWKJTSZYTG-CQSZACIVSA-N 2 1 303.366 1.061 20 30 DDEDMP CC(C)[NH+]=C(NC[C@@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912509295 711357909 /nfs/dbraw/zinc/35/79/09/711357909.db2.gz APZRRJJWLZPVQU-OAHLLOKOSA-N 2 1 311.518 1.612 20 30 DDEDMP C=C(C)C[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905455581 712042497 /nfs/dbraw/zinc/04/24/97/712042497.db2.gz ZLWZXEIRDZDRPF-ZWKOTPCHSA-N 2 1 304.434 1.540 20 30 DDEDMP C=C(C)C[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905455581 712042500 /nfs/dbraw/zinc/04/25/00/712042500.db2.gz ZLWZXEIRDZDRPF-ZWKOTPCHSA-N 2 1 304.434 1.540 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=S)NC[C@H]2CCC[N@H+]2CC)C1 ZINC000905572830 712082603 /nfs/dbraw/zinc/08/26/03/712082603.db2.gz ZHPTZRMZCYTKFM-LSDHHAIUSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=S)NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000905572830 712082605 /nfs/dbraw/zinc/08/26/05/712082605.db2.gz ZHPTZRMZCYTKFM-LSDHHAIUSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=S)NC[C@H]2CCC[NH+]2CC)C1 ZINC000905572830 712082606 /nfs/dbraw/zinc/08/26/06/712082606.db2.gz ZHPTZRMZCYTKFM-LSDHHAIUSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=S)NC[C@H]2CCC[NH+]2CC)C1 ZINC000905572830 712082609 /nfs/dbraw/zinc/08/26/09/712082609.db2.gz ZHPTZRMZCYTKFM-LSDHHAIUSA-N 2 1 308.495 1.032 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000921851490 713886082 /nfs/dbraw/zinc/88/60/82/713886082.db2.gz YZFWBUVDQVCQGJ-UHFFFAOYSA-N 2 1 311.470 1.454 20 30 DDEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](O)CC#N)C2)ccn1 ZINC000931093861 713999730 /nfs/dbraw/zinc/99/97/30/713999730.db2.gz LVVNOKHBBYXBQI-WBVHZDCISA-N 2 1 318.421 1.261 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000923191990 714266529 /nfs/dbraw/zinc/26/65/29/714266529.db2.gz FNMDAZDWWIFDAP-HNNXBMFYSA-N 2 1 320.481 1.598 20 30 DDEDMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3C#N)C[C@]2(C)C1 ZINC000933733902 714658166 /nfs/dbraw/zinc/65/81/66/714658166.db2.gz KDZAAPMLZULRFN-NUJGCVRESA-N 2 1 315.417 1.181 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3C#N)C[C@]2(C)C1 ZINC000933733902 714658167 /nfs/dbraw/zinc/65/81/67/714658167.db2.gz KDZAAPMLZULRFN-NUJGCVRESA-N 2 1 315.417 1.181 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)C[C@]2(C)C1 ZINC000933733902 714658168 /nfs/dbraw/zinc/65/81/68/714658168.db2.gz KDZAAPMLZULRFN-NUJGCVRESA-N 2 1 315.417 1.181 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)C[C@]2(C)C1 ZINC000933733902 714658169 /nfs/dbraw/zinc/65/81/69/714658169.db2.gz KDZAAPMLZULRFN-NUJGCVRESA-N 2 1 315.417 1.181 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000957644871 715981633 /nfs/dbraw/zinc/98/16/33/715981633.db2.gz LZGNOSNOFIOLBF-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961179293 716851799 /nfs/dbraw/zinc/85/17/99/716851799.db2.gz DXNPWZZUKNNAQG-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961179293 716851803 /nfs/dbraw/zinc/85/18/03/716851803.db2.gz DXNPWZZUKNNAQG-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961179293 716851809 /nfs/dbraw/zinc/85/18/09/716851809.db2.gz DXNPWZZUKNNAQG-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736699 716936832 /nfs/dbraw/zinc/93/68/32/716936832.db2.gz IRYMVVRMZLIJTE-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736699 716936837 /nfs/dbraw/zinc/93/68/37/716936837.db2.gz IRYMVVRMZLIJTE-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736699 716936839 /nfs/dbraw/zinc/93/68/39/716936839.db2.gz IRYMVVRMZLIJTE-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC000961613295 717029527 /nfs/dbraw/zinc/02/95/27/717029527.db2.gz BPKUBERJNKRAQM-FICVDOATSA-N 2 1 303.406 1.577 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000964438062 717264837 /nfs/dbraw/zinc/26/48/37/717264837.db2.gz ROWGEOXACJYDCZ-OFLPRAFFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942258910 717583241 /nfs/dbraw/zinc/58/32/41/717583241.db2.gz QLLCFDNHTCZURT-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000963180982 717682206 /nfs/dbraw/zinc/68/22/06/717682206.db2.gz YEQPNBVHVLTZKE-UYSNPLJNSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000963180982 717682209 /nfs/dbraw/zinc/68/22/09/717682209.db2.gz YEQPNBVHVLTZKE-UYSNPLJNSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518582 717715238 /nfs/dbraw/zinc/71/52/38/717715238.db2.gz UEEPEEAREOKYKE-WMLDXEAASA-N 2 1 310.401 1.798 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597913 717769271 /nfs/dbraw/zinc/76/92/71/717769271.db2.gz OHHZVESFMQPYEQ-SWLSCSKDSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597913 717769275 /nfs/dbraw/zinc/76/92/75/717769275.db2.gz OHHZVESFMQPYEQ-SWLSCSKDSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000963432422 717786196 /nfs/dbraw/zinc/78/61/96/717786196.db2.gz JZIMLCJQRABOPT-AOCRQIFASA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943332640 718082327 /nfs/dbraw/zinc/08/23/27/718082327.db2.gz DKQXLPSXLQMJOY-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904445 718704089 /nfs/dbraw/zinc/70/40/89/718704089.db2.gz OYJYFQGIKGIKOB-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517177 718814501 /nfs/dbraw/zinc/81/45/01/718814501.db2.gz AMWHLUDNCFQHPN-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517177 718814506 /nfs/dbraw/zinc/81/45/06/718814506.db2.gz AMWHLUDNCFQHPN-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517177 718814510 /nfs/dbraw/zinc/81/45/10/718814510.db2.gz AMWHLUDNCFQHPN-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946623857 718856785 /nfs/dbraw/zinc/85/67/85/718856785.db2.gz REUBWCIRNJGNSC-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642654 718863403 /nfs/dbraw/zinc/86/34/03/718863403.db2.gz OMQBAXZEMAZQIM-IXDOHACOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473384 719176798 /nfs/dbraw/zinc/17/67/98/719176798.db2.gz LHJBJFJTUNZZIX-ZIAGYGMSSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473384 719176801 /nfs/dbraw/zinc/17/68/01/719176801.db2.gz LHJBJFJTUNZZIX-ZIAGYGMSSA-N 2 1 318.421 1.342 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947557494 719211019 /nfs/dbraw/zinc/21/10/19/719211019.db2.gz YIGRITXFJKXBCI-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947557494 719211020 /nfs/dbraw/zinc/21/10/20/719211020.db2.gz YIGRITXFJKXBCI-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000947796797 719272298 /nfs/dbraw/zinc/27/22/98/719272298.db2.gz RWUFDGCEWMLQDJ-ZBFHGGJFSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553565 719543754 /nfs/dbraw/zinc/54/37/54/719543754.db2.gz IRVHQVGBWGTFLX-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553565 719543757 /nfs/dbraw/zinc/54/37/57/719543757.db2.gz IRVHQVGBWGTFLX-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553565 719543761 /nfs/dbraw/zinc/54/37/61/719543761.db2.gz IRVHQVGBWGTFLX-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949226540 719966704 /nfs/dbraw/zinc/96/67/04/719966704.db2.gz KBMQQIRRDAMWMY-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC000949385818 720052782 /nfs/dbraw/zinc/05/27/82/720052782.db2.gz CLLDGSRRCYICPF-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000949385818 720052789 /nfs/dbraw/zinc/05/27/89/720052789.db2.gz CLLDGSRRCYICPF-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000949385818 720052790 /nfs/dbraw/zinc/05/27/90/720052790.db2.gz CLLDGSRRCYICPF-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC000949385818 720052796 /nfs/dbraw/zinc/05/27/96/720052796.db2.gz CLLDGSRRCYICPF-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970013675 720598774 /nfs/dbraw/zinc/59/87/74/720598774.db2.gz VKULDCBVEKBDMH-CYBMUJFWSA-N 2 1 320.437 1.753 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970419632 720754875 /nfs/dbraw/zinc/75/48/75/720754875.db2.gz FRWRZLBXXZDBMW-UKRRQHHQSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703529 735404184 /nfs/dbraw/zinc/40/41/84/735404184.db2.gz MHVSWUJFCOXTJY-INIZCTEOSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707494 735408746 /nfs/dbraw/zinc/40/87/46/735408746.db2.gz ROSVBVMBSWAVEI-CQSZACIVSA-N 2 1 300.406 1.223 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023757717 735442360 /nfs/dbraw/zinc/44/23/60/735442360.db2.gz NHSPREPTXZABPT-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757717 735442362 /nfs/dbraw/zinc/44/23/62/735442362.db2.gz NHSPREPTXZABPT-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757717 735442365 /nfs/dbraw/zinc/44/23/65/735442365.db2.gz NHSPREPTXZABPT-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757717 735442369 /nfs/dbraw/zinc/44/23/69/735442369.db2.gz NHSPREPTXZABPT-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP N#Cc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3cnc[nH]3)C2)s1 ZINC001020635191 732582128 /nfs/dbraw/zinc/58/21/28/732582128.db2.gz JPYXIMLPAYMQBJ-XYPYZODXSA-N 2 1 315.402 1.322 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098533125 732836132 /nfs/dbraw/zinc/83/61/32/732836132.db2.gz UAGJPSWEFMZSJH-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098533125 732836134 /nfs/dbraw/zinc/83/61/34/732836134.db2.gz UAGJPSWEFMZSJH-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098533125 732836136 /nfs/dbraw/zinc/83/61/36/732836136.db2.gz UAGJPSWEFMZSJH-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236255 732851985 /nfs/dbraw/zinc/85/19/85/732851985.db2.gz ISVCSCZRVHJVQK-JSGCOSHPSA-N 2 1 313.873 1.813 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264884 733080708 /nfs/dbraw/zinc/08/07/08/733080708.db2.gz JIGZSHXBOQILKB-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167428071 733450548 /nfs/dbraw/zinc/45/05/48/733450548.db2.gz AEUHZHXOXUEEJZ-DLBZAZTESA-N 2 1 317.477 1.903 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194252 782402503 /nfs/dbraw/zinc/40/25/03/782402503.db2.gz PKTKCENMNKFVRN-RFSHTEQGSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001022201369 734431290 /nfs/dbraw/zinc/43/12/90/734431290.db2.gz HLQIEQQTRGIETP-XQQFMLRXSA-N 2 1 308.813 1.750 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027931084 738826981 /nfs/dbraw/zinc/82/69/81/738826981.db2.gz YBPVCYSRRRVGMZ-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027931084 738826986 /nfs/dbraw/zinc/82/69/86/738826986.db2.gz YBPVCYSRRRVGMZ-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001027931084 738826988 /nfs/dbraw/zinc/82/69/88/738826988.db2.gz YBPVCYSRRRVGMZ-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001022895574 734871596 /nfs/dbraw/zinc/87/15/96/734871596.db2.gz KTYHCEQZUPZJNB-GASCZTMLSA-N 2 1 311.389 1.694 20 30 DDEDMP C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250251 734984844 /nfs/dbraw/zinc/98/48/44/734984844.db2.gz YXGMKFOFXMIWEE-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409917 735215399 /nfs/dbraw/zinc/21/53/99/735215399.db2.gz IUJVAECCNLJFHY-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409917 735215402 /nfs/dbraw/zinc/21/54/02/735215402.db2.gz IUJVAECCNLJFHY-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409917 735215405 /nfs/dbraw/zinc/21/54/05/735215405.db2.gz IUJVAECCNLJFHY-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413221 735219038 /nfs/dbraw/zinc/21/90/38/735219038.db2.gz BTKZJCTURIMFPX-HUUCEWRRSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413221 735219039 /nfs/dbraw/zinc/21/90/39/735219039.db2.gz BTKZJCTURIMFPX-HUUCEWRRSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025239377 736386769 /nfs/dbraw/zinc/38/67/69/736386769.db2.gz DQLIUTCRFBQACI-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239377 736386773 /nfs/dbraw/zinc/38/67/73/736386773.db2.gz DQLIUTCRFBQACI-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239377 736386776 /nfs/dbraw/zinc/38/67/76/736386776.db2.gz DQLIUTCRFBQACI-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104581077 736435735 /nfs/dbraw/zinc/43/57/35/736435735.db2.gz MUPRSQNDTUMSDE-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104581077 736435737 /nfs/dbraw/zinc/43/57/37/736435737.db2.gz MUPRSQNDTUMSDE-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470287 736707749 /nfs/dbraw/zinc/70/77/49/736707749.db2.gz VSPJFHQSIAMXFA-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042260690 737139196 /nfs/dbraw/zinc/13/91/96/737139196.db2.gz WGEBSIVFXWEARK-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCN1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093005 739023945 /nfs/dbraw/zinc/02/39/45/739023945.db2.gz FURWCZDNLXZXRX-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093005 739023948 /nfs/dbraw/zinc/02/39/48/739023948.db2.gz FURWCZDNLXZXRX-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001028093005 739023952 /nfs/dbraw/zinc/02/39/52/739023952.db2.gz FURWCZDNLXZXRX-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093005 739023956 /nfs/dbraw/zinc/02/39/56/739023956.db2.gz FURWCZDNLXZXRX-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093005 739023959 /nfs/dbraw/zinc/02/39/59/739023959.db2.gz FURWCZDNLXZXRX-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103863 739038773 /nfs/dbraw/zinc/03/87/73/739038773.db2.gz XKDXIUYUHBOPGA-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103863 739038778 /nfs/dbraw/zinc/03/87/78/739038778.db2.gz XKDXIUYUHBOPGA-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646034 739845020 /nfs/dbraw/zinc/84/50/20/739845020.db2.gz QKTBUIVVXYKHQP-CYBMUJFWSA-N 2 1 306.410 1.364 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646034 739845025 /nfs/dbraw/zinc/84/50/25/739845025.db2.gz QKTBUIVVXYKHQP-CYBMUJFWSA-N 2 1 306.410 1.364 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758799 740000234 /nfs/dbraw/zinc/00/02/34/740000234.db2.gz XCJRFYQBPYOIOV-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758799 740000239 /nfs/dbraw/zinc/00/02/39/740000239.db2.gz XCJRFYQBPYOIOV-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758799 740000241 /nfs/dbraw/zinc/00/02/41/740000241.db2.gz XCJRFYQBPYOIOV-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001029003806 740248879 /nfs/dbraw/zinc/24/88/79/740248879.db2.gz QBXLRORMVZVHJR-KRWDZBQOSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593653 740669174 /nfs/dbraw/zinc/66/91/74/740669174.db2.gz OXABJQJPBFIBTK-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593653 740669176 /nfs/dbraw/zinc/66/91/76/740669176.db2.gz OXABJQJPBFIBTK-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593653 740669179 /nfs/dbraw/zinc/66/91/79/740669179.db2.gz OXABJQJPBFIBTK-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986269 740922381 /nfs/dbraw/zinc/92/23/81/740922381.db2.gz DMBPPEVLSIKKHQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986269 740922382 /nfs/dbraw/zinc/92/23/82/740922382.db2.gz DMBPPEVLSIKKHQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986269 740922384 /nfs/dbraw/zinc/92/23/84/740922384.db2.gz DMBPPEVLSIKKHQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567335 741841718 /nfs/dbraw/zinc/84/17/18/741841718.db2.gz IHTGSSJWIQSYJK-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026492 741946397 /nfs/dbraw/zinc/94/63/97/741946397.db2.gz NDUABINUZCRILL-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026492 741946398 /nfs/dbraw/zinc/94/63/98/741946398.db2.gz NDUABINUZCRILL-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026492 741946399 /nfs/dbraw/zinc/94/63/99/741946399.db2.gz NDUABINUZCRILL-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026492 741946400 /nfs/dbraw/zinc/94/64/00/741946400.db2.gz NDUABINUZCRILL-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088824112 742464941 /nfs/dbraw/zinc/46/49/41/742464941.db2.gz QKXYKWKKJGAKQU-KMFMINBZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088824112 742464943 /nfs/dbraw/zinc/46/49/43/742464943.db2.gz QKXYKWKKJGAKQU-KMFMINBZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407399 742710165 /nfs/dbraw/zinc/71/01/65/742710165.db2.gz CBYBGBLYEINCCD-DOTOQJQBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035705682 751791982 /nfs/dbraw/zinc/79/19/82/751791982.db2.gz AZUJHQUJXTWIDB-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717360 751804016 /nfs/dbraw/zinc/80/40/16/751804016.db2.gz JAHAGRHKXAIXFR-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127595 743261368 /nfs/dbraw/zinc/26/13/68/743261368.db2.gz BEIBTFDLEXEUPT-BRWVUGGUSA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127595 743261373 /nfs/dbraw/zinc/26/13/73/743261373.db2.gz BEIBTFDLEXEUPT-BRWVUGGUSA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127595 743261376 /nfs/dbraw/zinc/26/13/76/743261376.db2.gz BEIBTFDLEXEUPT-BRWVUGGUSA-N 2 1 323.481 1.092 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181793265 743345814 /nfs/dbraw/zinc/34/58/14/743345814.db2.gz OUPDMLGITBDNLF-ZIFCJYIRSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001182719038 743697055 /nfs/dbraw/zinc/69/70/55/743697055.db2.gz MFZWGSCZFOEESG-CJNGLKHVSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001182719038 743697057 /nfs/dbraw/zinc/69/70/57/743697057.db2.gz MFZWGSCZFOEESG-CJNGLKHVSA-N 2 1 317.437 1.557 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001127066632 743697194 /nfs/dbraw/zinc/69/71/94/743697194.db2.gz QWQWQJHSRDBVBD-QGZVFWFLSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CCCN1CC(OC2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001105733996 743768385 /nfs/dbraw/zinc/76/83/85/743768385.db2.gz UYRYKEHFYMBPDS-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035796400 751883077 /nfs/dbraw/zinc/88/30/77/751883077.db2.gz BQZVJRWFWQLLEV-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035779042 751894683 /nfs/dbraw/zinc/89/46/83/751894683.db2.gz OLJMDYDAKZRZKF-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001098994103 744215256 /nfs/dbraw/zinc/21/52/56/744215256.db2.gz QBFLKINTXDQCPN-BQFCYCMXSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001098994103 744215259 /nfs/dbraw/zinc/21/52/59/744215259.db2.gz QBFLKINTXDQCPN-BQFCYCMXSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098994103 744215262 /nfs/dbraw/zinc/21/52/62/744215262.db2.gz QBFLKINTXDQCPN-BQFCYCMXSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098994103 744215265 /nfs/dbraw/zinc/21/52/65/744215265.db2.gz QBFLKINTXDQCPN-BQFCYCMXSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470143 744228521 /nfs/dbraw/zinc/22/85/21/744228521.db2.gz OEJZHPKMSXSYHV-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470143 744228524 /nfs/dbraw/zinc/22/85/24/744228524.db2.gz OEJZHPKMSXSYHV-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142118 744630427 /nfs/dbraw/zinc/63/04/27/744630427.db2.gz YHTJJKIVTVBBCU-CUSZFKRNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142118 744630428 /nfs/dbraw/zinc/63/04/28/744630428.db2.gz YHTJJKIVTVBBCU-CUSZFKRNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142118 744630429 /nfs/dbraw/zinc/63/04/29/744630429.db2.gz YHTJJKIVTVBBCU-CUSZFKRNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992409390 744861008 /nfs/dbraw/zinc/86/10/08/744861008.db2.gz MSFPIOJBKUVOPN-MAUKXSAKSA-N 2 1 301.434 1.219 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457701 744949026 /nfs/dbraw/zinc/94/90/26/744949026.db2.gz LQROTLMBWLCJFN-KRWDZBQOSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787593 744981456 /nfs/dbraw/zinc/98/14/56/744981456.db2.gz RAJKNZXVSRIPDK-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787593 744981462 /nfs/dbraw/zinc/98/14/62/744981462.db2.gz RAJKNZXVSRIPDK-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787593 744981468 /nfs/dbraw/zinc/98/14/68/744981468.db2.gz RAJKNZXVSRIPDK-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787594 744981536 /nfs/dbraw/zinc/98/15/36/744981536.db2.gz RAJKNZXVSRIPDK-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787594 744981542 /nfs/dbraw/zinc/98/15/42/744981542.db2.gz RAJKNZXVSRIPDK-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787594 744981548 /nfs/dbraw/zinc/98/15/48/744981548.db2.gz RAJKNZXVSRIPDK-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCC=C)C1 ZINC001190721949 745305871 /nfs/dbraw/zinc/30/58/71/745305871.db2.gz CLIGOHIRTKBAIK-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCC=C)C1 ZINC001190721949 745305877 /nfs/dbraw/zinc/30/58/77/745305877.db2.gz CLIGOHIRTKBAIK-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC=C)C1 ZINC001190721949 745305883 /nfs/dbraw/zinc/30/58/83/745305883.db2.gz CLIGOHIRTKBAIK-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCC=C)C1 ZINC001190721949 745305889 /nfs/dbraw/zinc/30/58/89/745305889.db2.gz CLIGOHIRTKBAIK-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001190725748 745308367 /nfs/dbraw/zinc/30/83/67/745308367.db2.gz RDBKKYOEAQUXKI-VDZMMWBESA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC/C=C/CC)C1 ZINC001190725748 745308374 /nfs/dbraw/zinc/30/83/74/745308374.db2.gz RDBKKYOEAQUXKI-VDZMMWBESA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001190725748 745308375 /nfs/dbraw/zinc/30/83/75/745308375.db2.gz RDBKKYOEAQUXKI-VDZMMWBESA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC/C=C/CC)C1 ZINC001190725748 745308382 /nfs/dbraw/zinc/30/83/82/745308382.db2.gz RDBKKYOEAQUXKI-VDZMMWBESA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC/C=C/CC)C1 ZINC001190725748 745308387 /nfs/dbraw/zinc/30/83/87/745308387.db2.gz RDBKKYOEAQUXKI-VDZMMWBESA-N 2 1 317.477 1.973 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743543 745315286 /nfs/dbraw/zinc/31/52/86/745315286.db2.gz LAYTYIVTHOBSBH-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190743543 745315291 /nfs/dbraw/zinc/31/52/91/745315291.db2.gz LAYTYIVTHOBSBH-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190743543 745315298 /nfs/dbraw/zinc/31/52/98/745315298.db2.gz LAYTYIVTHOBSBH-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191081716 745419892 /nfs/dbraw/zinc/41/98/92/745419892.db2.gz SBZDGCQASDBLEQ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191081716 745419896 /nfs/dbraw/zinc/41/98/96/745419896.db2.gz SBZDGCQASDBLEQ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191081716 745419898 /nfs/dbraw/zinc/41/98/98/745419898.db2.gz SBZDGCQASDBLEQ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506852 745541660 /nfs/dbraw/zinc/54/16/60/745541660.db2.gz DTUARWJLNVNQRZ-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989122 745658776 /nfs/dbraw/zinc/65/87/76/745658776.db2.gz QHPGRFBMILZNNC-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989122 745658777 /nfs/dbraw/zinc/65/87/77/745658777.db2.gz QHPGRFBMILZNNC-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673423 745893376 /nfs/dbraw/zinc/89/33/76/745893376.db2.gz YNHWUDIQLSHTDW-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993332159 746003994 /nfs/dbraw/zinc/00/39/94/746003994.db2.gz AVIURUNWBUSHOL-GJZGRUSLSA-N 2 1 319.453 1.213 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194095675 746287210 /nfs/dbraw/zinc/28/72/10/746287210.db2.gz LLKJGUPUJSMLOG-BZUAXINKSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245959 746318698 /nfs/dbraw/zinc/31/86/98/746318698.db2.gz HMVWKFXMAHSDAE-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC[C@H](C)F)C2)CC1 ZINC001194246557 746319951 /nfs/dbraw/zinc/31/99/51/746319951.db2.gz OQJZNOUGXVYKAK-RDJZCZTQSA-N 2 1 323.456 1.612 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926980 746504763 /nfs/dbraw/zinc/50/47/63/746504763.db2.gz WOZGMCIHBUOOAF-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926980 746504769 /nfs/dbraw/zinc/50/47/69/746504769.db2.gz WOZGMCIHBUOOAF-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046926980 746504774 /nfs/dbraw/zinc/50/47/74/746504774.db2.gz WOZGMCIHBUOOAF-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046926980 746504777 /nfs/dbraw/zinc/50/47/77/746504777.db2.gz WOZGMCIHBUOOAF-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC=C)CC(C)(C)C1 ZINC001089408876 746820661 /nfs/dbraw/zinc/82/06/61/746820661.db2.gz ISCFUPWRQUSIGI-SJORKVTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC=C)CC(C)(C)C1 ZINC001089408876 746820669 /nfs/dbraw/zinc/82/06/69/746820669.db2.gz ISCFUPWRQUSIGI-SJORKVTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C)CC(C)(C)C1 ZINC001089408876 746820677 /nfs/dbraw/zinc/82/06/77/746820677.db2.gz ISCFUPWRQUSIGI-SJORKVTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC=C)CC(C)(C)C1 ZINC001089408876 746820684 /nfs/dbraw/zinc/82/06/84/746820684.db2.gz ISCFUPWRQUSIGI-SJORKVTESA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197022361 747040459 /nfs/dbraw/zinc/04/04/59/747040459.db2.gz PWYQHZOJLRWSFA-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510975 747135892 /nfs/dbraw/zinc/13/58/92/747135892.db2.gz JOWJXEVHIQCNFH-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007496388 752173554 /nfs/dbraw/zinc/17/35/54/752173554.db2.gz PIPSCMRDYLLGJJ-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496388 752173558 /nfs/dbraw/zinc/17/35/58/752173558.db2.gz PIPSCMRDYLLGJJ-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496388 752173566 /nfs/dbraw/zinc/17/35/66/752173566.db2.gz PIPSCMRDYLLGJJ-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672800 747573981 /nfs/dbraw/zinc/57/39/81/747573981.db2.gz SVGMJSFHADMRKV-HZPDHXFCSA-N 2 1 311.470 1.214 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001198672800 747573984 /nfs/dbraw/zinc/57/39/84/747573984.db2.gz SVGMJSFHADMRKV-HZPDHXFCSA-N 2 1 311.470 1.214 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089731528 747709781 /nfs/dbraw/zinc/70/97/81/747709781.db2.gz FOZDRFXWWBLMNS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089731528 747709785 /nfs/dbraw/zinc/70/97/85/747709785.db2.gz FOZDRFXWWBLMNS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089731528 747709793 /nfs/dbraw/zinc/70/97/93/747709793.db2.gz FOZDRFXWWBLMNS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001201125284 748425313 /nfs/dbraw/zinc/42/53/13/748425313.db2.gz PPSXPDYYYDHXSE-HUUCEWRRSA-N 2 1 318.421 1.296 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001201230401 748437583 /nfs/dbraw/zinc/43/75/83/748437583.db2.gz PDDCMZDCCWATED-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060456 748672626 /nfs/dbraw/zinc/67/26/26/748672626.db2.gz YGBZZPZBUFJLBU-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147578 748696459 /nfs/dbraw/zinc/69/64/59/748696459.db2.gz HYDKALXXUSFBGN-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202164506 748701733 /nfs/dbraw/zinc/70/17/33/748701733.db2.gz QBQAPHFKZUMHAC-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202164506 748701738 /nfs/dbraw/zinc/70/17/38/748701738.db2.gz QBQAPHFKZUMHAC-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110684252 748892688 /nfs/dbraw/zinc/89/26/88/748892688.db2.gz BSXONLVCDXBMOF-HZMVEIRTSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684252 748892700 /nfs/dbraw/zinc/89/27/00/748892700.db2.gz BSXONLVCDXBMOF-HZMVEIRTSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110684252 748892706 /nfs/dbraw/zinc/89/27/06/748892706.db2.gz BSXONLVCDXBMOF-HZMVEIRTSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297538 749141508 /nfs/dbraw/zinc/14/15/08/749141508.db2.gz OVFKZTCCVCGCAP-KRWDZBQOSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033418111 749316756 /nfs/dbraw/zinc/31/67/56/749316756.db2.gz ZVUGCULKVLJNCQ-RHSMWYFYSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033418111 749316761 /nfs/dbraw/zinc/31/67/61/749316761.db2.gz ZVUGCULKVLJNCQ-RHSMWYFYSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033418111 749316764 /nfs/dbraw/zinc/31/67/64/749316764.db2.gz ZVUGCULKVLJNCQ-RHSMWYFYSA-N 2 1 311.445 1.918 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033466111 749392452 /nfs/dbraw/zinc/39/24/52/749392452.db2.gz HXQYBLNCMZEKAD-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033466111 749392455 /nfs/dbraw/zinc/39/24/55/749392455.db2.gz HXQYBLNCMZEKAD-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996300216 749496938 /nfs/dbraw/zinc/49/69/38/749496938.db2.gz KJGODJNUYZFAFB-RDTXWAMCSA-N 2 1 323.456 1.659 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108343803 761959965 /nfs/dbraw/zinc/95/99/65/761959965.db2.gz ATAJDLGWKFIOFJ-KRWDZBQOSA-N 2 1 321.465 1.256 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039379847 761979944 /nfs/dbraw/zinc/97/99/44/761979944.db2.gz AGIXNAAOEZRRAE-VSZNYVQBSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039379847 761979948 /nfs/dbraw/zinc/97/99/48/761979948.db2.gz AGIXNAAOEZRRAE-VSZNYVQBSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039379847 761979949 /nfs/dbraw/zinc/97/99/49/761979949.db2.gz AGIXNAAOEZRRAE-VSZNYVQBSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001039387039 761986551 /nfs/dbraw/zinc/98/65/51/761986551.db2.gz OPJPRMLLGBHBJW-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039387039 761986555 /nfs/dbraw/zinc/98/65/55/761986555.db2.gz OPJPRMLLGBHBJW-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001039387039 761986560 /nfs/dbraw/zinc/98/65/60/761986560.db2.gz OPJPRMLLGBHBJW-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932309 750144956 /nfs/dbraw/zinc/14/49/56/750144956.db2.gz LEVJJGJBHMPSRW-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932309 750144961 /nfs/dbraw/zinc/14/49/61/750144961.db2.gz LEVJJGJBHMPSRW-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932309 750144963 /nfs/dbraw/zinc/14/49/63/750144963.db2.gz LEVJJGJBHMPSRW-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932309 750144968 /nfs/dbraw/zinc/14/49/68/750144968.db2.gz LEVJJGJBHMPSRW-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001039425043 762021825 /nfs/dbraw/zinc/02/18/25/762021825.db2.gz QIOIFPSKVHOLMF-IKGGRYGDSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001039425043 762021836 /nfs/dbraw/zinc/02/18/36/762021836.db2.gz QIOIFPSKVHOLMF-IKGGRYGDSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001039425043 762021845 /nfs/dbraw/zinc/02/18/45/762021845.db2.gz QIOIFPSKVHOLMF-IKGGRYGDSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001039425043 762021855 /nfs/dbraw/zinc/02/18/55/762021855.db2.gz QIOIFPSKVHOLMF-IKGGRYGDSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394803 762037845 /nfs/dbraw/zinc/03/78/45/762037845.db2.gz KBYIRZDWGHWWCZ-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394803 762037856 /nfs/dbraw/zinc/03/78/56/762037856.db2.gz KBYIRZDWGHWWCZ-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394803 762037871 /nfs/dbraw/zinc/03/78/71/762037871.db2.gz KBYIRZDWGHWWCZ-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952635 750840071 /nfs/dbraw/zinc/84/00/71/750840071.db2.gz IYAJJPJOXCVYME-JFIYKMOQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952635 750840080 /nfs/dbraw/zinc/84/00/80/750840080.db2.gz IYAJJPJOXCVYME-JFIYKMOQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952635 750840089 /nfs/dbraw/zinc/84/00/89/750840089.db2.gz IYAJJPJOXCVYME-JFIYKMOQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475674 750963429 /nfs/dbraw/zinc/96/34/29/750963429.db2.gz CYPSBNFBJBIRCS-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032493169 751054446 /nfs/dbraw/zinc/05/44/46/751054446.db2.gz OMSDIBOSUNTHOV-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001032493169 751054451 /nfs/dbraw/zinc/05/44/51/751054451.db2.gz OMSDIBOSUNTHOV-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493169 751054454 /nfs/dbraw/zinc/05/44/54/751054454.db2.gz OMSDIBOSUNTHOV-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493169 751054458 /nfs/dbraw/zinc/05/44/58/751054458.db2.gz OMSDIBOSUNTHOV-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2 ZINC001035197166 751280470 /nfs/dbraw/zinc/28/04/70/751280470.db2.gz JZDVGZNLGZFCSL-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035244840 751327175 /nfs/dbraw/zinc/32/71/75/751327175.db2.gz FTRSEELHCFKQDN-UHFFFAOYSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008276139 752648197 /nfs/dbraw/zinc/64/81/97/752648197.db2.gz KQIFFTUOGAMJCA-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008276139 752648202 /nfs/dbraw/zinc/64/82/02/752648202.db2.gz KQIFFTUOGAMJCA-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008276139 752648207 /nfs/dbraw/zinc/64/82/07/752648207.db2.gz KQIFFTUOGAMJCA-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000767817 762177255 /nfs/dbraw/zinc/17/72/55/762177255.db2.gz SMIXGYIQSNILRU-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000767817 762177258 /nfs/dbraw/zinc/17/72/58/762177258.db2.gz SMIXGYIQSNILRU-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000767817 762177261 /nfs/dbraw/zinc/17/72/61/762177261.db2.gz SMIXGYIQSNILRU-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999987551 753299650 /nfs/dbraw/zinc/29/96/50/753299650.db2.gz XTVGGHVMTFNYJM-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001010368755 753819549 /nfs/dbraw/zinc/81/95/49/753819549.db2.gz GYBNPYYBVMBDEC-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001010368755 753819557 /nfs/dbraw/zinc/81/95/57/753819557.db2.gz GYBNPYYBVMBDEC-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001010368755 753819562 /nfs/dbraw/zinc/81/95/62/753819562.db2.gz GYBNPYYBVMBDEC-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001010368755 753819566 /nfs/dbraw/zinc/81/95/66/753819566.db2.gz GYBNPYYBVMBDEC-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169162488 762270354 /nfs/dbraw/zinc/27/03/54/762270354.db2.gz TZSACYDULXGIEC-LVQVYYBASA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169162488 762270360 /nfs/dbraw/zinc/27/03/60/762270360.db2.gz TZSACYDULXGIEC-LVQVYYBASA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169162488 762270365 /nfs/dbraw/zinc/27/03/65/762270365.db2.gz TZSACYDULXGIEC-LVQVYYBASA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169162488 762270373 /nfs/dbraw/zinc/27/03/73/762270373.db2.gz TZSACYDULXGIEC-LVQVYYBASA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001000862018 762276698 /nfs/dbraw/zinc/27/66/98/762276698.db2.gz MRPDCJPZRGGOIK-MRXNPFEDSA-N 2 1 314.433 1.770 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nccn3C2)CC1 ZINC001000875474 762288717 /nfs/dbraw/zinc/28/87/17/762288717.db2.gz GKCFCHJCPVEESO-INIZCTEOSA-N 2 1 312.417 1.217 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001912487 754573439 /nfs/dbraw/zinc/57/34/39/754573439.db2.gz UNYOMEDIBBXUBW-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241557 762454043 /nfs/dbraw/zinc/45/40/43/762454043.db2.gz PDCUOAREBQTUOT-SJLPKXTDSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619715 756417379 /nfs/dbraw/zinc/41/73/79/756417379.db2.gz CJYGKSZBCKEBJP-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619715 756417380 /nfs/dbraw/zinc/41/73/80/756417380.db2.gz CJYGKSZBCKEBJP-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040281856 762474485 /nfs/dbraw/zinc/47/44/85/762474485.db2.gz SAMAHMUCHBLRRW-GOSISDBHSA-N 2 1 315.461 1.563 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082199968 756673947 /nfs/dbraw/zinc/67/39/47/756673947.db2.gz LECTWBUZSBDLLR-IXDOHACOSA-N 2 1 321.465 1.088 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082290176 756725019 /nfs/dbraw/zinc/72/50/19/756725019.db2.gz MTXHFFSOIPEUGR-IAGOWNOFSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001082384840 756763182 /nfs/dbraw/zinc/76/31/82/756763182.db2.gz NYMIZYSCOZGKDQ-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384840 756763186 /nfs/dbraw/zinc/76/31/86/756763186.db2.gz NYMIZYSCOZGKDQ-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384840 756763189 /nfs/dbraw/zinc/76/31/89/756763189.db2.gz NYMIZYSCOZGKDQ-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258067 756879398 /nfs/dbraw/zinc/87/93/98/756879398.db2.gz ZWPIXHCEMCZHIS-CHWSQXEVSA-N 2 1 318.446 1.262 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258067 756879401 /nfs/dbraw/zinc/87/94/01/756879401.db2.gz ZWPIXHCEMCZHIS-CHWSQXEVSA-N 2 1 318.446 1.262 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258067 756879407 /nfs/dbraw/zinc/87/94/07/756879407.db2.gz ZWPIXHCEMCZHIS-CHWSQXEVSA-N 2 1 318.446 1.262 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258067 756879411 /nfs/dbraw/zinc/87/94/11/756879411.db2.gz ZWPIXHCEMCZHIS-CHWSQXEVSA-N 2 1 318.446 1.262 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001016336521 756934437 /nfs/dbraw/zinc/93/44/37/756934437.db2.gz MEXSCALECTVNSZ-HOTGVXAUSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001016336521 756934440 /nfs/dbraw/zinc/93/44/40/756934440.db2.gz MEXSCALECTVNSZ-HOTGVXAUSA-N 2 1 309.429 1.270 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016611860 757203442 /nfs/dbraw/zinc/20/34/42/757203442.db2.gz GTVGJMLSDZETJA-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016662076 757245701 /nfs/dbraw/zinc/24/57/01/757245701.db2.gz HSPDPXUFQOMKQI-HUUCEWRRSA-N 2 1 314.433 1.917 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579843 757257865 /nfs/dbraw/zinc/25/78/65/757257865.db2.gz HCEJIOKDBAPITQ-WCXIOVBPSA-N 2 1 301.434 1.216 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579843 757257872 /nfs/dbraw/zinc/25/78/72/757257872.db2.gz HCEJIOKDBAPITQ-WCXIOVBPSA-N 2 1 301.434 1.216 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016860749 757416178 /nfs/dbraw/zinc/41/61/78/757416178.db2.gz RBVFARCJMPRYLE-HNNXBMFYSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016984362 757530428 /nfs/dbraw/zinc/53/04/28/757530428.db2.gz YJJUOECUYBSHBX-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090399277 757732661 /nfs/dbraw/zinc/73/26/61/757732661.db2.gz MUNMDTFSEJTSNS-CVEARBPZSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(C)C)CC2)CC1 ZINC001052952042 758000580 /nfs/dbraw/zinc/00/05/80/758000580.db2.gz AYGUJDYAZPEXNB-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956549 758008300 /nfs/dbraw/zinc/00/83/00/758008300.db2.gz USZUVJLRRAIJER-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956549 758008320 /nfs/dbraw/zinc/00/83/20/758008320.db2.gz USZUVJLRRAIJER-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052956549 758008330 /nfs/dbraw/zinc/00/83/30/758008330.db2.gz USZUVJLRRAIJER-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569603 758039824 /nfs/dbraw/zinc/03/98/24/758039824.db2.gz OASKUNYRWLZONH-YVSFHVDLSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569603 758039829 /nfs/dbraw/zinc/03/98/29/758039829.db2.gz OASKUNYRWLZONH-YVSFHVDLSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017569603 758039833 /nfs/dbraw/zinc/03/98/33/758039833.db2.gz OASKUNYRWLZONH-YVSFHVDLSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017569603 758039839 /nfs/dbraw/zinc/03/98/39/758039839.db2.gz OASKUNYRWLZONH-YVSFHVDLSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943919 758083587 /nfs/dbraw/zinc/08/35/87/758083587.db2.gz HTBKLBZNQCXVCP-VQHPVUNQSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084943919 758083596 /nfs/dbraw/zinc/08/35/96/758083596.db2.gz HTBKLBZNQCXVCP-VQHPVUNQSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084943919 758083605 /nfs/dbraw/zinc/08/36/05/758083605.db2.gz HTBKLBZNQCXVCP-VQHPVUNQSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958209 758098032 /nfs/dbraw/zinc/09/80/32/758098032.db2.gz QLWKFJDKTYNUEE-PVAVHDDUSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001018313438 758722910 /nfs/dbraw/zinc/72/29/10/758722910.db2.gz NYJZDOKMWGIKKT-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001018313438 758722918 /nfs/dbraw/zinc/72/29/18/758722918.db2.gz NYJZDOKMWGIKKT-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001018313438 758722922 /nfs/dbraw/zinc/72/29/22/758722922.db2.gz NYJZDOKMWGIKKT-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001018313438 758722932 /nfs/dbraw/zinc/72/29/32/758722932.db2.gz NYJZDOKMWGIKKT-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001040729616 762663487 /nfs/dbraw/zinc/66/34/87/762663487.db2.gz KDGPSUFMZNNDOY-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)CO2 ZINC001053926230 758962304 /nfs/dbraw/zinc/96/23/04/758962304.db2.gz ZMJHYDOIJOXHKE-OAHLLOKOSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)CO2 ZINC001053926230 758962307 /nfs/dbraw/zinc/96/23/07/758962307.db2.gz ZMJHYDOIJOXHKE-OAHLLOKOSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053982470 759022353 /nfs/dbraw/zinc/02/23/53/759022353.db2.gz KFPWXXXRECLVKT-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053982470 759022362 /nfs/dbraw/zinc/02/23/62/759022362.db2.gz KFPWXXXRECLVKT-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046732942 767865039 /nfs/dbraw/zinc/86/50/39/767865039.db2.gz YJORUEMILUXBOM-SFHVURJKSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046732942 767865045 /nfs/dbraw/zinc/86/50/45/767865045.db2.gz YJORUEMILUXBOM-SFHVURJKSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001046850238 767982496 /nfs/dbraw/zinc/98/24/96/767982496.db2.gz PYRTWKPWOMHMDL-YJBOKZPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039172634 761795164 /nfs/dbraw/zinc/79/51/64/761795164.db2.gz AGADOWUSRATXHP-GOSISDBHSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041358792 762979011 /nfs/dbraw/zinc/97/90/11/762979011.db2.gz QWZOBXMTBXSRDR-AEFFLSMTSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041360047 762979866 /nfs/dbraw/zinc/97/98/66/762979866.db2.gz WROPEWVONIDIMC-AEFFLSMTSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041397731 763004113 /nfs/dbraw/zinc/00/41/13/763004113.db2.gz AQNMGSGPARKWPQ-GOSISDBHSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041445612 763036125 /nfs/dbraw/zinc/03/61/25/763036125.db2.gz LKUHAZXEGTUGJX-IBGZPJMESA-N 2 1 322.412 1.896 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068635 763085188 /nfs/dbraw/zinc/08/51/88/763085188.db2.gz ASLZJVPGMDFOKH-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068635 763085196 /nfs/dbraw/zinc/08/51/96/763085196.db2.gz ASLZJVPGMDFOKH-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068635 763085200 /nfs/dbraw/zinc/08/52/00/763085200.db2.gz ASLZJVPGMDFOKH-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC=C)C[C@H]32)CC1 ZINC001050207052 763322591 /nfs/dbraw/zinc/32/25/91/763322591.db2.gz BXMUJRKFPNLHSU-ZWKOTPCHSA-N 2 1 315.461 1.440 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785303 763326333 /nfs/dbraw/zinc/32/63/33/763326333.db2.gz DQHUQFIHWCUJHL-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785303 763326343 /nfs/dbraw/zinc/32/63/43/763326343.db2.gz DQHUQFIHWCUJHL-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785303 763326351 /nfs/dbraw/zinc/32/63/51/763326351.db2.gz DQHUQFIHWCUJHL-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCF)C3)C2)CC1 ZINC001041844277 763399972 /nfs/dbraw/zinc/39/99/72/763399972.db2.gz FXGPCLYYUQVCRB-SFHVURJKSA-N 2 1 321.440 1.226 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042095605 763644515 /nfs/dbraw/zinc/64/45/15/763644515.db2.gz OGTUZHIHXCCPOL-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095605 763644524 /nfs/dbraw/zinc/64/45/24/763644524.db2.gz OGTUZHIHXCCPOL-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095605 763644529 /nfs/dbraw/zinc/64/45/29/763644529.db2.gz OGTUZHIHXCCPOL-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001050547138 763739503 /nfs/dbraw/zinc/73/95/03/763739503.db2.gz WUEIVXNAPCQIEW-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186275 763752671 /nfs/dbraw/zinc/75/26/71/763752671.db2.gz GAFNPZUHZGILBZ-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001109561939 763821177 /nfs/dbraw/zinc/82/11/77/763821177.db2.gz UZBUEUQMGVAXQN-SQNIBIBYSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109561939 763821181 /nfs/dbraw/zinc/82/11/81/763821181.db2.gz UZBUEUQMGVAXQN-SQNIBIBYSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001109561939 763821186 /nfs/dbraw/zinc/82/11/86/763821186.db2.gz UZBUEUQMGVAXQN-SQNIBIBYSA-N 2 1 317.477 1.996 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042292113 763867664 /nfs/dbraw/zinc/86/76/64/763867664.db2.gz MJCKQXMKUIIZRK-WBVHZDCISA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314152 763902759 /nfs/dbraw/zinc/90/27/59/763902759.db2.gz MNXBHZASWOCGNZ-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563124 764405385 /nfs/dbraw/zinc/40/53/85/764405385.db2.gz GTAXCVFLMBSMDB-LNLFQRSKSA-N 2 1 317.477 1.570 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131696954 768279259 /nfs/dbraw/zinc/27/92/59/768279259.db2.gz DSPCOALLMGTMGP-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696954 768279265 /nfs/dbraw/zinc/27/92/65/768279265.db2.gz DSPCOALLMGTMGP-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696954 768279267 /nfs/dbraw/zinc/27/92/67/768279267.db2.gz DSPCOALLMGTMGP-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131697407 768279857 /nfs/dbraw/zinc/27/98/57/768279857.db2.gz KNJWBZAEASYDTA-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697407 768279858 /nfs/dbraw/zinc/27/98/58/768279858.db2.gz KNJWBZAEASYDTA-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697407 768279862 /nfs/dbraw/zinc/27/98/62/768279862.db2.gz KNJWBZAEASYDTA-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113265835 765503190 /nfs/dbraw/zinc/50/31/90/765503190.db2.gz CFBQSYKPKYLXLQ-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052457877 765846462 /nfs/dbraw/zinc/84/64/62/765846462.db2.gz WHTKCUIWZMJSRX-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052457877 765846467 /nfs/dbraw/zinc/84/64/67/765846467.db2.gz WHTKCUIWZMJSRX-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052457877 765846473 /nfs/dbraw/zinc/84/64/73/765846473.db2.gz WHTKCUIWZMJSRX-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052457877 765846478 /nfs/dbraw/zinc/84/64/78/765846478.db2.gz WHTKCUIWZMJSRX-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC#CC)CC1 ZINC001052458480 765848661 /nfs/dbraw/zinc/84/86/61/765848661.db2.gz CSRMXQALZYLHGQ-SJORKVTESA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC#CC)CC1 ZINC001052458480 765848667 /nfs/dbraw/zinc/84/86/67/765848667.db2.gz CSRMXQALZYLHGQ-SJORKVTESA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC#CC)CC1 ZINC001052458480 765848674 /nfs/dbraw/zinc/84/86/74/765848674.db2.gz CSRMXQALZYLHGQ-SJORKVTESA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC#CC)CC1 ZINC001052458480 765848678 /nfs/dbraw/zinc/84/86/78/765848678.db2.gz CSRMXQALZYLHGQ-SJORKVTESA-N 2 1 301.434 1.078 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052488986 765879698 /nfs/dbraw/zinc/87/96/98/765879698.db2.gz MAOROBJJZQDFTG-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052488986 765879705 /nfs/dbraw/zinc/87/97/05/765879705.db2.gz MAOROBJJZQDFTG-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052488986 765879711 /nfs/dbraw/zinc/87/97/11/765879711.db2.gz MAOROBJJZQDFTG-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052488986 765879719 /nfs/dbraw/zinc/87/97/19/765879719.db2.gz MAOROBJJZQDFTG-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052566820 765963702 /nfs/dbraw/zinc/96/37/02/765963702.db2.gz PTZRMCDILWEFBX-OAHLLOKOSA-N 2 1 314.433 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052566820 765963706 /nfs/dbraw/zinc/96/37/06/765963706.db2.gz PTZRMCDILWEFBX-OAHLLOKOSA-N 2 1 314.433 1.366 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046416794 767535713 /nfs/dbraw/zinc/53/57/13/767535713.db2.gz CABZATWTBWYJDD-BFYDXBDKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046416794 767535722 /nfs/dbraw/zinc/53/57/22/767535722.db2.gz CABZATWTBWYJDD-BFYDXBDKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046416794 767535727 /nfs/dbraw/zinc/53/57/27/767535727.db2.gz CABZATWTBWYJDD-BFYDXBDKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046416794 767535735 /nfs/dbraw/zinc/53/57/35/767535735.db2.gz CABZATWTBWYJDD-BFYDXBDKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380397 768436883 /nfs/dbraw/zinc/43/68/83/768436883.db2.gz MMSTXXGGCWZESJ-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380397 768436889 /nfs/dbraw/zinc/43/68/89/768436889.db2.gz MMSTXXGGCWZESJ-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047380397 768436891 /nfs/dbraw/zinc/43/68/91/768436891.db2.gz MMSTXXGGCWZESJ-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132977546 769380018 /nfs/dbraw/zinc/38/00/18/769380018.db2.gz MZYXCKNOEYUXBS-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526728 769494517 /nfs/dbraw/zinc/49/45/17/769494517.db2.gz YKOLSNDTNDHFSI-BZZMCLGOSA-N 2 1 317.477 1.873 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857942 769997329 /nfs/dbraw/zinc/99/73/29/769997329.db2.gz JQAYBKQVHLJNMH-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857942 769997335 /nfs/dbraw/zinc/99/73/35/769997335.db2.gz JQAYBKQVHLJNMH-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857942 769997342 /nfs/dbraw/zinc/99/73/42/769997342.db2.gz JQAYBKQVHLJNMH-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857646 769997529 /nfs/dbraw/zinc/99/75/29/769997529.db2.gz IOWXZRWQBPFNEI-OKZBNKHCSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857646 769997532 /nfs/dbraw/zinc/99/75/32/769997532.db2.gz IOWXZRWQBPFNEI-OKZBNKHCSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857646 769997539 /nfs/dbraw/zinc/99/75/39/769997539.db2.gz IOWXZRWQBPFNEI-OKZBNKHCSA-N 2 1 317.477 1.378 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048860167 770000945 /nfs/dbraw/zinc/00/09/45/770000945.db2.gz JHYZGUXSIRNTOE-ZACQAIPSSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860167 770000957 /nfs/dbraw/zinc/00/09/57/770000957.db2.gz JHYZGUXSIRNTOE-ZACQAIPSSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048860167 770000971 /nfs/dbraw/zinc/00/09/71/770000971.db2.gz JHYZGUXSIRNTOE-ZACQAIPSSA-N 2 1 305.466 1.541 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048913036 770100561 /nfs/dbraw/zinc/10/05/61/770100561.db2.gz VBWRGEMBCITRRK-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048913036 770100568 /nfs/dbraw/zinc/10/05/68/770100568.db2.gz VBWRGEMBCITRRK-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048913036 770100574 /nfs/dbraw/zinc/10/05/74/770100574.db2.gz VBWRGEMBCITRRK-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC001048939612 770142434 /nfs/dbraw/zinc/14/24/34/770142434.db2.gz LFQYFUFWMINNBF-GASCZTMLSA-N 2 1 314.433 1.338 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]c4c3CCCC4)C[C@H]2C1 ZINC001048939612 770142440 /nfs/dbraw/zinc/14/24/40/770142440.db2.gz LFQYFUFWMINNBF-GASCZTMLSA-N 2 1 314.433 1.338 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059973 770312491 /nfs/dbraw/zinc/31/24/91/770312491.db2.gz KQIWPQDGINGKMW-NXOAAHMSSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059973 770312498 /nfs/dbraw/zinc/31/24/98/770312498.db2.gz KQIWPQDGINGKMW-NXOAAHMSSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059973 770312510 /nfs/dbraw/zinc/31/25/10/770312510.db2.gz KQIWPQDGINGKMW-NXOAAHMSSA-N 2 1 305.466 1.541 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049446068 770844714 /nfs/dbraw/zinc/84/47/14/770844714.db2.gz GRHVNUHMXOLCJB-HUUCEWRRSA-N 2 1 300.406 1.431 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049448258 770848120 /nfs/dbraw/zinc/84/81/20/770848120.db2.gz RMHWADUZRCBJCL-GJZGRUSLSA-N 2 1 302.422 1.984 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049480539 770910369 /nfs/dbraw/zinc/91/03/69/770910369.db2.gz FUUXBGDSSMMOPD-VQHPVUNQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049480539 770910376 /nfs/dbraw/zinc/91/03/76/770910376.db2.gz FUUXBGDSSMMOPD-VQHPVUNQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049480539 770910381 /nfs/dbraw/zinc/91/03/81/770910381.db2.gz FUUXBGDSSMMOPD-VQHPVUNQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718387 771111382 /nfs/dbraw/zinc/11/13/82/771111382.db2.gz MALCKGMVOBEZED-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718387 771111385 /nfs/dbraw/zinc/11/13/85/771111385.db2.gz MALCKGMVOBEZED-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718387 771111387 /nfs/dbraw/zinc/11/13/87/771111387.db2.gz MALCKGMVOBEZED-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767168 771144333 /nfs/dbraw/zinc/14/43/33/771144333.db2.gz OJHVILFFIIPHGT-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171219460 772611009 /nfs/dbraw/zinc/61/10/09/772611009.db2.gz XKGBHHIMDVEAAJ-GFCCVEGCSA-N 2 1 318.259 1.333 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248455 772710259 /nfs/dbraw/zinc/71/02/59/772710259.db2.gz VMYLCCCODDPDFA-CABCVRRESA-N 2 1 302.422 1.658 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148286774 773433516 /nfs/dbraw/zinc/43/35/16/773433516.db2.gz YMTWMNOBXOZNCN-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148286774 773433519 /nfs/dbraw/zinc/43/35/19/773433519.db2.gz YMTWMNOBXOZNCN-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148286774 773433521 /nfs/dbraw/zinc/43/35/21/773433521.db2.gz YMTWMNOBXOZNCN-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073891119 773504345 /nfs/dbraw/zinc/50/43/45/773504345.db2.gz LQWNDXZYPNRGHO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073891119 773504347 /nfs/dbraw/zinc/50/43/47/773504347.db2.gz LQWNDXZYPNRGHO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073891119 773504350 /nfs/dbraw/zinc/50/43/50/773504350.db2.gz LQWNDXZYPNRGHO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cc3cncn3C)C2)C1 ZINC001148604325 773531892 /nfs/dbraw/zinc/53/18/92/773531892.db2.gz CPTKKRIUKILZCI-OAHLLOKOSA-N 2 1 316.449 1.852 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926947 773724902 /nfs/dbraw/zinc/72/49/02/773724902.db2.gz OEXSWWGZTVLTOZ-MRXNPFEDSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776063 773803251 /nfs/dbraw/zinc/80/32/51/773803251.db2.gz DRQNJOLJIGMEOH-AEFFLSMTSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091882944 773833766 /nfs/dbraw/zinc/83/37/66/773833766.db2.gz PZPOPOAGWWKPKP-LMMKCTJWSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093117894 774410178 /nfs/dbraw/zinc/41/01/78/774410178.db2.gz WQKJMQJXLZMXMG-CRAIPNDOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036735579 774429147 /nfs/dbraw/zinc/42/91/47/774429147.db2.gz MSHDSWROXRBRSW-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762210 774515399 /nfs/dbraw/zinc/51/53/99/774515399.db2.gz GYKWVYAZZNWXGO-WMZOPIPTSA-N 2 1 322.412 1.894 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773969 774569496 /nfs/dbraw/zinc/56/94/96/774569496.db2.gz WPPPZHCHGCRQOG-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773969 774569500 /nfs/dbraw/zinc/56/95/00/774569500.db2.gz WPPPZHCHGCRQOG-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098462730 774587063 /nfs/dbraw/zinc/58/70/63/774587063.db2.gz KEACVZSQUDRBDM-NXHRZFHOSA-N 2 1 311.429 1.717 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001098462730 774587067 /nfs/dbraw/zinc/58/70/67/774587067.db2.gz KEACVZSQUDRBDM-NXHRZFHOSA-N 2 1 311.429 1.717 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036809468 774694029 /nfs/dbraw/zinc/69/40/29/774694029.db2.gz LKZYEHMCIPSYFM-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340333 774952660 /nfs/dbraw/zinc/95/26/60/774952660.db2.gz RQADVJDQJNHJRG-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340333 774952662 /nfs/dbraw/zinc/95/26/62/774952662.db2.gz RQADVJDQJNHJRG-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036872168 775010684 /nfs/dbraw/zinc/01/06/84/775010684.db2.gz XENXNCWFLFRZAH-HOTGVXAUSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930900 775437130 /nfs/dbraw/zinc/43/71/30/775437130.db2.gz NZLFWYVOIZJRBL-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930900 775437137 /nfs/dbraw/zinc/43/71/37/775437137.db2.gz NZLFWYVOIZJRBL-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930900 775437145 /nfs/dbraw/zinc/43/71/45/775437145.db2.gz NZLFWYVOIZJRBL-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896295 776010300 /nfs/dbraw/zinc/01/03/00/776010300.db2.gz MLUSDZQOSCNWBB-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896295 776010308 /nfs/dbraw/zinc/01/03/08/776010308.db2.gz MLUSDZQOSCNWBB-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC)C2)CC1 ZINC001036903490 776080548 /nfs/dbraw/zinc/08/05/48/776080548.db2.gz BADGBFVRZDNVTA-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCCN1CCC[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1=O ZINC001172250831 776736477 /nfs/dbraw/zinc/73/64/77/776736477.db2.gz XGUHIGGHXYDHFV-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001172493336 776799779 /nfs/dbraw/zinc/79/97/79/776799779.db2.gz ZDGDATFVJAUTKB-MJBXVCDLSA-N 2 1 310.442 1.995 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156404 777906644 /nfs/dbraw/zinc/90/66/44/777906644.db2.gz RVQVYADUOUBXSJ-BXUZGUMPSA-N 2 1 310.829 1.628 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156404 777906649 /nfs/dbraw/zinc/90/66/49/777906649.db2.gz RVQVYADUOUBXSJ-BXUZGUMPSA-N 2 1 310.829 1.628 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547391 778035032 /nfs/dbraw/zinc/03/50/32/778035032.db2.gz RNYVBVLPJXYGGL-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547391 778035046 /nfs/dbraw/zinc/03/50/46/778035046.db2.gz RNYVBVLPJXYGGL-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547391 778035059 /nfs/dbraw/zinc/03/50/59/778035059.db2.gz RNYVBVLPJXYGGL-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375675 778105237 /nfs/dbraw/zinc/10/52/37/778105237.db2.gz WSHPQVLWACYXPZ-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375675 778105247 /nfs/dbraw/zinc/10/52/47/778105247.db2.gz WSHPQVLWACYXPZ-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375675 778105255 /nfs/dbraw/zinc/10/52/55/778105255.db2.gz WSHPQVLWACYXPZ-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434082 778137766 /nfs/dbraw/zinc/13/77/66/778137766.db2.gz NUABIGKEVZPETP-NVXWUHKLSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564776 778184666 /nfs/dbraw/zinc/18/46/66/778184666.db2.gz RIKWGOVNBRRQKJ-HOTGVXAUSA-N 2 1 311.470 1.405 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102524483 778184758 /nfs/dbraw/zinc/18/47/58/778184758.db2.gz IBXZILJNBMLZLD-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524483 778184762 /nfs/dbraw/zinc/18/47/62/778184762.db2.gz IBXZILJNBMLZLD-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102524483 778184767 /nfs/dbraw/zinc/18/47/67/778184767.db2.gz IBXZILJNBMLZLD-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396804 778842532 /nfs/dbraw/zinc/84/25/32/778842532.db2.gz KCHKLEWKZVULNP-NVXWUHKLSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178106620 778873882 /nfs/dbraw/zinc/87/38/82/778873882.db2.gz GKAODJQGGBLRAQ-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178106620 778873887 /nfs/dbraw/zinc/87/38/87/778873887.db2.gz GKAODJQGGBLRAQ-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662614 778984634 /nfs/dbraw/zinc/98/46/34/778984634.db2.gz GDYLGDPKHIMXMZ-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662614 778984636 /nfs/dbraw/zinc/98/46/36/778984636.db2.gz GDYLGDPKHIMXMZ-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662614 778984638 /nfs/dbraw/zinc/98/46/38/778984638.db2.gz GDYLGDPKHIMXMZ-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)COC ZINC001178722492 779139230 /nfs/dbraw/zinc/13/92/30/779139230.db2.gz IITSWZJTBUVFME-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@@H](C)COC ZINC001178722492 779139234 /nfs/dbraw/zinc/13/92/34/779139234.db2.gz IITSWZJTBUVFME-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001179028924 779268874 /nfs/dbraw/zinc/26/88/74/779268874.db2.gz PEMHWHKIZCBDGF-ZFWWWQNUSA-N 2 1 320.437 1.895 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179178826 779292328 /nfs/dbraw/zinc/29/23/28/779292328.db2.gz AFGNWNCSUQTUFQ-GZOJWHRLSA-N 2 1 319.449 1.005 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001179590617 779421328 /nfs/dbraw/zinc/42/13/28/779421328.db2.gz KNHFXZFUSNIZBK-MRXNPFEDSA-N 2 1 316.449 1.653 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006222 779595607 /nfs/dbraw/zinc/59/56/07/779595607.db2.gz OOHDJAKUAGHRSK-HKUYNNGSSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115533946 780219637 /nfs/dbraw/zinc/21/96/37/780219637.db2.gz ZCPKISXWXNIEBB-MRXNPFEDSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001267195922 837516103 /nfs/dbraw/zinc/51/61/03/837516103.db2.gz SYGYDHSSLOXBAJ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001267195922 837516113 /nfs/dbraw/zinc/51/61/13/837516113.db2.gz SYGYDHSSLOXBAJ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267195922 837516116 /nfs/dbraw/zinc/51/61/16/837516116.db2.gz SYGYDHSSLOXBAJ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266464789 836298381 /nfs/dbraw/zinc/29/83/81/836298381.db2.gz IPQXWTYZXRSWLB-DLBZAZTESA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001266469786 836308784 /nfs/dbraw/zinc/30/87/84/836308784.db2.gz RZUQHNIUBZZJQT-CABCVRRESA-N 2 1 302.422 1.392 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001266469786 836308790 /nfs/dbraw/zinc/30/87/90/836308790.db2.gz RZUQHNIUBZZJQT-CABCVRRESA-N 2 1 302.422 1.392 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001266469786 836308802 /nfs/dbraw/zinc/30/88/02/836308802.db2.gz RZUQHNIUBZZJQT-CABCVRRESA-N 2 1 302.422 1.392 20 30 DDEDMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001266619418 836547018 /nfs/dbraw/zinc/54/70/18/836547018.db2.gz LZWSBRCPCHOUBS-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001266619418 836547024 /nfs/dbraw/zinc/54/70/24/836547024.db2.gz LZWSBRCPCHOUBS-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001266619418 836547026 /nfs/dbraw/zinc/54/70/26/836547026.db2.gz LZWSBRCPCHOUBS-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001266619418 836547035 /nfs/dbraw/zinc/54/70/35/836547035.db2.gz LZWSBRCPCHOUBS-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267487985 838169082 /nfs/dbraw/zinc/16/90/82/838169082.db2.gz HXYGBHPXCHSECL-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267487985 838169087 /nfs/dbraw/zinc/16/90/87/838169087.db2.gz HXYGBHPXCHSECL-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267728556 838762245 /nfs/dbraw/zinc/76/22/45/838762245.db2.gz FICZPFMWOGZBAY-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267728556 838762253 /nfs/dbraw/zinc/76/22/53/838762253.db2.gz FICZPFMWOGZBAY-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267728556 838762264 /nfs/dbraw/zinc/76/22/64/838762264.db2.gz FICZPFMWOGZBAY-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558509 841765789 /nfs/dbraw/zinc/76/57/89/841765789.db2.gz YYDOTVBTJVVOSZ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001270192808 842372069 /nfs/dbraw/zinc/37/20/69/842372069.db2.gz DBPRWQIEQGZVJR-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001270256117 842430733 /nfs/dbraw/zinc/43/07/33/842430733.db2.gz URWIZKIFOTZHBK-UHFFFAOYSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001270633584 842759735 /nfs/dbraw/zinc/75/97/35/842759735.db2.gz UUQPDYZEYCOIIJ-WMLDXEAASA-N 2 1 320.437 1.372 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001270633584 842759744 /nfs/dbraw/zinc/75/97/44/842759744.db2.gz UUQPDYZEYCOIIJ-WMLDXEAASA-N 2 1 320.437 1.372 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001326432149 861364966 /nfs/dbraw/zinc/36/49/66/861364966.db2.gz QPTHVIQAIBATLI-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001271101811 843215453 /nfs/dbraw/zinc/21/54/53/843215453.db2.gz VICWWBRKTUHBIJ-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001271101811 843215460 /nfs/dbraw/zinc/21/54/60/843215460.db2.gz VICWWBRKTUHBIJ-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001271101811 843215466 /nfs/dbraw/zinc/21/54/66/843215466.db2.gz VICWWBRKTUHBIJ-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001271101811 843215475 /nfs/dbraw/zinc/21/54/75/843215475.db2.gz VICWWBRKTUHBIJ-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001271325775 843496653 /nfs/dbraw/zinc/49/66/53/843496653.db2.gz HDOFQQABNQOHPF-HOTGVXAUSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001271325775 843496661 /nfs/dbraw/zinc/49/66/61/843496661.db2.gz HDOFQQABNQOHPF-HOTGVXAUSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCN1CC[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273100736 847910079 /nfs/dbraw/zinc/91/00/79/847910079.db2.gz CWADDDWWJHUNHG-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034210090 848117920 /nfs/dbraw/zinc/11/79/20/848117920.db2.gz MOTWTELJPOVIKU-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCC1 ZINC001273162328 848608598 /nfs/dbraw/zinc/60/85/98/848608598.db2.gz YZGIHHZWXFODGM-UHFFFAOYSA-N 2 1 302.422 1.658 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150297785 862172108 /nfs/dbraw/zinc/17/21/08/862172108.db2.gz CSZZBVHOQAUDFH-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C[NH+]1CCC([NH+]2CCC3(C[C@@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001273826852 851392190 /nfs/dbraw/zinc/39/21/90/851392190.db2.gz IDOMDZGXUSQYTK-MRXNPFEDSA-N 2 1 318.465 1.603 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001319144657 851889785 /nfs/dbraw/zinc/88/97/85/851889785.db2.gz JAOYYMPESYVXOZ-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150587768 862332380 /nfs/dbraw/zinc/33/23/80/862332380.db2.gz KBXXEBFCYSKFNQ-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150587768 862332398 /nfs/dbraw/zinc/33/23/98/862332398.db2.gz KBXXEBFCYSKFNQ-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150587768 862332417 /nfs/dbraw/zinc/33/24/17/862332417.db2.gz KBXXEBFCYSKFNQ-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3cnc(C)[nH]3)C2)C1=O ZINC001274575748 852408363 /nfs/dbraw/zinc/40/83/63/852408363.db2.gz IHQUDZMDBFZOLC-MRXNPFEDSA-N 2 1 302.378 1.245 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCCN(Cc3c[nH]c(C)n3)C2)C1=O ZINC001274575748 852408366 /nfs/dbraw/zinc/40/83/66/852408366.db2.gz IHQUDZMDBFZOLC-MRXNPFEDSA-N 2 1 302.378 1.245 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001155789220 862448479 /nfs/dbraw/zinc/44/84/79/862448479.db2.gz CBUVDSKMICTFNI-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C#N)ccc1[O-] ZINC001275550874 853321891 /nfs/dbraw/zinc/32/18/91/853321891.db2.gz PHIWWFZLFLOIPW-IRXDYDNUSA-N 2 1 314.433 1.474 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(CC)CC ZINC001275573483 853378268 /nfs/dbraw/zinc/37/82/68/853378268.db2.gz CNDCCAXRLPYTKT-WBVHZDCISA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(CC)CC ZINC001275573483 853378274 /nfs/dbraw/zinc/37/82/74/853378274.db2.gz CNDCCAXRLPYTKT-WBVHZDCISA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(CC)CC ZINC001275573483 853378282 /nfs/dbraw/zinc/37/82/82/853378282.db2.gz CNDCCAXRLPYTKT-WBVHZDCISA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(CC)CC ZINC001275573483 853378295 /nfs/dbraw/zinc/37/82/95/853378295.db2.gz CNDCCAXRLPYTKT-WBVHZDCISA-N 2 1 307.482 1.957 20 30 DDEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001276258120 855067099 /nfs/dbraw/zinc/06/70/99/855067099.db2.gz GEUZAEWPQNGGDZ-QGZVFWFLSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734352 857652217 /nfs/dbraw/zinc/65/22/17/857652217.db2.gz GEFOJSKRECFOQZ-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734352 857652221 /nfs/dbraw/zinc/65/22/21/857652221.db2.gz GEFOJSKRECFOQZ-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734352 857652227 /nfs/dbraw/zinc/65/22/27/857652227.db2.gz GEFOJSKRECFOQZ-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001156342237 862950419 /nfs/dbraw/zinc/95/04/19/862950419.db2.gz WPBAZFPYSMJXSQ-APWZRJJASA-N 2 1 315.461 1.923 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001072982027 857964929 /nfs/dbraw/zinc/96/49/29/857964929.db2.gz XTEVRCWCFZUSJE-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001072982027 857964941 /nfs/dbraw/zinc/96/49/41/857964941.db2.gz XTEVRCWCFZUSJE-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001072982027 857964946 /nfs/dbraw/zinc/96/49/46/857964946.db2.gz XTEVRCWCFZUSJE-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001072982027 857964953 /nfs/dbraw/zinc/96/49/53/857964953.db2.gz XTEVRCWCFZUSJE-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121772837 858593583 /nfs/dbraw/zinc/59/35/83/858593583.db2.gz HXLSWZXWHRVOCQ-ZHIXCNEBSA-N 2 1 303.450 1.224 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001328782220 863219343 /nfs/dbraw/zinc/21/93/43/863219343.db2.gz YFXNWXWEGJOACP-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[C@H](C)N1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001329693293 863794168 /nfs/dbraw/zinc/79/41/68/863794168.db2.gz HKBYCZHCSMGHOU-HOTGVXAUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001329693293 863794180 /nfs/dbraw/zinc/79/41/80/863794180.db2.gz HKBYCZHCSMGHOU-HOTGVXAUSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001329748924 863828111 /nfs/dbraw/zinc/82/81/11/863828111.db2.gz CNIPIEAURCTYLE-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001329765656 863837241 /nfs/dbraw/zinc/83/72/41/863837241.db2.gz PTWUPXLHKFFGKX-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001329765656 863837252 /nfs/dbraw/zinc/83/72/52/863837252.db2.gz PTWUPXLHKFFGKX-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157964385 864313691 /nfs/dbraw/zinc/31/36/91/864313691.db2.gz AGVRWMFBSIHTLL-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154034358 864348954 /nfs/dbraw/zinc/34/89/54/864348954.db2.gz ZFRGQRPYPKKSFL-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154034358 864348959 /nfs/dbraw/zinc/34/89/59/864348959.db2.gz ZFRGQRPYPKKSFL-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154034358 864348969 /nfs/dbraw/zinc/34/89/69/864348969.db2.gz ZFRGQRPYPKKSFL-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001330655176 864514235 /nfs/dbraw/zinc/51/42/35/864514235.db2.gz CWFWGATXXHRJFP-BZUAXINKSA-N 2 1 314.433 1.262 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605014 864756450 /nfs/dbraw/zinc/75/64/50/864756450.db2.gz JXONIKXQJUPORE-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605014 864756452 /nfs/dbraw/zinc/75/64/52/864756452.db2.gz JXONIKXQJUPORE-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001331031024 864789776 /nfs/dbraw/zinc/78/97/76/864789776.db2.gz QVXUKAYPPJXFGX-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+](C[C@@H]1CCOC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001331158249 864909640 /nfs/dbraw/zinc/90/96/40/864909640.db2.gz NEUKGWCANVJLJU-SJORKVTESA-N 2 1 306.450 1.459 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225577385 881915964 /nfs/dbraw/zinc/91/59/64/881915964.db2.gz FLUJUKOOOTVXOP-UHFFFAOYSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225577385 881915977 /nfs/dbraw/zinc/91/59/77/881915977.db2.gz FLUJUKOOOTVXOP-UHFFFAOYSA-N 2 1 301.862 1.907 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001321959533 867898880 /nfs/dbraw/zinc/89/88/80/867898880.db2.gz ZNHHTRAWOPPBQF-DOTOQJQBSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001325656676 868220601 /nfs/dbraw/zinc/22/06/01/868220601.db2.gz UNLLFLVBLIUFIX-XLAORIBOSA-N 2 1 319.493 1.862 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165332255 869523134 /nfs/dbraw/zinc/52/31/34/869523134.db2.gz FYSHIXVYVHDLEA-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165912602 869762791 /nfs/dbraw/zinc/76/27/91/869762791.db2.gz RFCHKLFXIRCIFF-UHFFFAOYSA-N 2 1 306.410 1.412 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC001338610290 870070217 /nfs/dbraw/zinc/07/02/17/870070217.db2.gz QNRVOWMPLZRALC-MRXNPFEDSA-N 2 1 320.481 1.635 20 30 DDEDMP C#CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001317005176 870111841 /nfs/dbraw/zinc/11/18/41/870111841.db2.gz DSFFNLLEJQJLFS-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317082402 870218910 /nfs/dbraw/zinc/21/89/10/870218910.db2.gz ZYNWUNFFCHTNHA-MGPQQGTHSA-N 2 1 320.437 1.941 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317137150 870342257 /nfs/dbraw/zinc/34/22/57/870342257.db2.gz FTGYMHDCFWLYHE-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317137150 870342269 /nfs/dbraw/zinc/34/22/69/870342269.db2.gz FTGYMHDCFWLYHE-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317137150 870342281 /nfs/dbraw/zinc/34/22/81/870342281.db2.gz FTGYMHDCFWLYHE-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317165723 870397816 /nfs/dbraw/zinc/39/78/16/870397816.db2.gz UNRVIYPENILIAH-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001317175237 870417555 /nfs/dbraw/zinc/41/75/55/870417555.db2.gz ZATIGPTVDBRSRY-HZPDHXFCSA-N 2 1 311.445 1.660 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001317175237 870417562 /nfs/dbraw/zinc/41/75/62/870417562.db2.gz ZATIGPTVDBRSRY-HZPDHXFCSA-N 2 1 311.445 1.660 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317382897 870744188 /nfs/dbraw/zinc/74/41/88/870744188.db2.gz WZDXJLQLAGLICF-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317382521 870746495 /nfs/dbraw/zinc/74/64/95/870746495.db2.gz GRXFICUDKQACFQ-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317382521 870746518 /nfs/dbraw/zinc/74/65/18/870746518.db2.gz GRXFICUDKQACFQ-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798579 870764629 /nfs/dbraw/zinc/76/46/29/870764629.db2.gz ZFHSSVXZIBWNHS-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798579 870764634 /nfs/dbraw/zinc/76/46/34/870764634.db2.gz ZFHSSVXZIBWNHS-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204875817 871274479 /nfs/dbraw/zinc/27/44/79/871274479.db2.gz FPVFXBNHLWKAOI-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875817 871274492 /nfs/dbraw/zinc/27/44/92/871274492.db2.gz FPVFXBNHLWKAOI-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001317761003 871472725 /nfs/dbraw/zinc/47/27/25/871472725.db2.gz CCPJKKDZHNHGGR-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001317761003 871472738 /nfs/dbraw/zinc/47/27/38/871472738.db2.gz CCPJKKDZHNHGGR-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317812249 871535307 /nfs/dbraw/zinc/53/53/07/871535307.db2.gz WUKKROBOQPKCLF-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317812249 871535321 /nfs/dbraw/zinc/53/53/21/871535321.db2.gz WUKKROBOQPKCLF-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001317812249 871535335 /nfs/dbraw/zinc/53/53/35/871535335.db2.gz WUKKROBOQPKCLF-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001317812249 871535349 /nfs/dbraw/zinc/53/53/49/871535349.db2.gz WUKKROBOQPKCLF-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC(C[NH2+]CC#CCOC)CC1 ZINC001205561303 871633555 /nfs/dbraw/zinc/63/35/55/871633555.db2.gz GIXPSBAXFSKUPS-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCOc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1OC ZINC001205672284 871686813 /nfs/dbraw/zinc/68/68/13/871686813.db2.gz HVMBFEBABNZLNC-GOSISDBHSA-N 2 1 318.417 1.383 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1OC ZINC001205672284 871686820 /nfs/dbraw/zinc/68/68/20/871686820.db2.gz HVMBFEBABNZLNC-GOSISDBHSA-N 2 1 318.417 1.383 20 30 DDEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316858093 872174753 /nfs/dbraw/zinc/17/47/53/872174753.db2.gz BHBRARIXPPICIB-SJORKVTESA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC001319146320 872463212 /nfs/dbraw/zinc/46/32/12/872463212.db2.gz YMZOUSMKNPCKQA-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001319231155 872511521 /nfs/dbraw/zinc/51/15/21/872511521.db2.gz FBTGGHUPFBPZCL-ZFWWWQNUSA-N 2 1 302.422 1.119 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001319534534 872677986 /nfs/dbraw/zinc/67/79/86/872677986.db2.gz PXIIRNSAAJRBLN-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734105 873514350 /nfs/dbraw/zinc/51/43/50/873514350.db2.gz COSICOIBMCFWPC-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734105 873514361 /nfs/dbraw/zinc/51/43/61/873514361.db2.gz COSICOIBMCFWPC-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CCN(C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208614051 874326176 /nfs/dbraw/zinc/32/61/76/874326176.db2.gz CTZCVTDCLZULSD-LJQANCHMSA-N 2 1 320.525 1.620 20 30 DDEDMP C#CCCC[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001209264205 874763369 /nfs/dbraw/zinc/76/33/69/874763369.db2.gz XKSDHKYLIGRYSL-UHFFFAOYSA-N 2 1 301.434 1.224 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001211374864 875781068 /nfs/dbraw/zinc/78/10/68/875781068.db2.gz QQXPRSIMDJPHOJ-NXHRZFHOSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374864 875781083 /nfs/dbraw/zinc/78/10/83/875781083.db2.gz QQXPRSIMDJPHOJ-NXHRZFHOSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374864 875781090 /nfs/dbraw/zinc/78/10/90/875781090.db2.gz QQXPRSIMDJPHOJ-NXHRZFHOSA-N 2 1 313.445 1.749 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224193 875852389 /nfs/dbraw/zinc/85/23/89/875852389.db2.gz QCMITXIZWKMBAI-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224193 875852397 /nfs/dbraw/zinc/85/23/97/875852397.db2.gz QCMITXIZWKMBAI-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213252299 875861373 /nfs/dbraw/zinc/86/13/73/875861373.db2.gz HGIDLNONOWVGPY-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446320 875939413 /nfs/dbraw/zinc/93/94/13/875939413.db2.gz IGXZTWDVDNFLQT-HUUCEWRRSA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446320 875939419 /nfs/dbraw/zinc/93/94/19/875939419.db2.gz IGXZTWDVDNFLQT-HUUCEWRRSA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446320 875939425 /nfs/dbraw/zinc/93/94/25/875939425.db2.gz IGXZTWDVDNFLQT-HUUCEWRRSA-N 2 1 311.470 1.356 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216086328 876859017 /nfs/dbraw/zinc/85/90/17/876859017.db2.gz SFZHJANRLVNUJB-RHSMWYFYSA-N 2 1 323.400 1.341 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCC)[C@H]2C1 ZINC001219006736 877872280 /nfs/dbraw/zinc/87/22/80/877872280.db2.gz VBSUBBMQUFDSQA-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219006736 877872296 /nfs/dbraw/zinc/87/22/96/877872296.db2.gz VBSUBBMQUFDSQA-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219006736 877872311 /nfs/dbraw/zinc/87/23/11/877872311.db2.gz VBSUBBMQUFDSQA-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220484900 879056124 /nfs/dbraw/zinc/05/61/24/879056124.db2.gz ZEIYSNWTBKTYLX-QGZVFWFLSA-N 2 1 313.445 1.790 20 30 DDEDMP C=CCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220484900 879056139 /nfs/dbraw/zinc/05/61/39/879056139.db2.gz ZEIYSNWTBKTYLX-QGZVFWFLSA-N 2 1 313.445 1.790 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081825 879484350 /nfs/dbraw/zinc/48/43/50/879484350.db2.gz UZGNBQKJTFMIBH-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587647 879962952 /nfs/dbraw/zinc/96/29/52/879962952.db2.gz BWJCGVGDIZQYRC-OWCLPIDISA-N 2 1 311.445 1.775 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950060 880162364 /nfs/dbraw/zinc/16/23/64/880162364.db2.gz RUJAGSJTQJJSJX-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442273 880468410 /nfs/dbraw/zinc/46/84/10/880468410.db2.gz HKCMMXSPTHVXIP-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442273 880468420 /nfs/dbraw/zinc/46/84/20/880468420.db2.gz HKCMMXSPTHVXIP-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442273 880468428 /nfs/dbraw/zinc/46/84/28/880468428.db2.gz HKCMMXSPTHVXIP-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001223911684 881143569 /nfs/dbraw/zinc/14/35/69/881143569.db2.gz HKAJECFKQLPKGP-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCN(CCCNC(=O)C[N@H+](C)CCC)Cc1cccnc1 ZINC001230906921 885035849 /nfs/dbraw/zinc/03/58/49/885035849.db2.gz XVAQFLHLFFSKLC-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[NH+](CCCNC(=O)C[N@@H+](C)CCC)Cc1cccnc1 ZINC001230906921 885035863 /nfs/dbraw/zinc/03/58/63/885035863.db2.gz XVAQFLHLFFSKLC-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230906921 885035878 /nfs/dbraw/zinc/03/58/78/885035878.db2.gz XVAQFLHLFFSKLC-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230906921 885035890 /nfs/dbraw/zinc/03/58/90/885035890.db2.gz XVAQFLHLFFSKLC-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001277603297 886040629 /nfs/dbraw/zinc/04/06/29/886040629.db2.gz BGGVEBWDYWMHLY-IRXDYDNUSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235467782 888662903 /nfs/dbraw/zinc/66/29/03/888662903.db2.gz RRDYVTOGCBRUTE-YJBOKZPZSA-N 2 1 321.465 1.744 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1CC#N ZINC001235517254 888704080 /nfs/dbraw/zinc/70/40/80/888704080.db2.gz KJKJJILOVLJCAB-RBUKOAKNSA-N 2 1 312.461 1.963 20 30 DDEDMP C=CC[NH2+]CCN(CC)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001236633713 889285018 /nfs/dbraw/zinc/28/50/18/889285018.db2.gz KLPPMOBFIGZUNE-IBGZPJMESA-N 2 1 317.477 1.985 20 30 DDEDMP C=CC[NH2+]CCN(CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001236633713 889285036 /nfs/dbraw/zinc/28/50/36/889285036.db2.gz KLPPMOBFIGZUNE-IBGZPJMESA-N 2 1 317.477 1.985 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246301191 892525929 /nfs/dbraw/zinc/52/59/29/892525929.db2.gz WHELTNYOELLRNW-UKYFPXCRSA-N 2 1 317.408 1.700 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCN3CCOCC3)CCC[C@@H]12 ZINC001278466799 892911579 /nfs/dbraw/zinc/91/15/79/892911579.db2.gz LDPGFLOQMVQPLK-AEFFLSMTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001278466799 892911587 /nfs/dbraw/zinc/91/15/87/892911587.db2.gz LDPGFLOQMVQPLK-AEFFLSMTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001278466799 892911594 /nfs/dbraw/zinc/91/15/94/892911594.db2.gz LDPGFLOQMVQPLK-AEFFLSMTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001366304493 893101285 /nfs/dbraw/zinc/10/12/85/893101285.db2.gz YRDQLGYHULXCAF-NWDGAFQWSA-N 2 1 318.259 1.474 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001278485640 893188832 /nfs/dbraw/zinc/18/88/32/893188832.db2.gz BIRMUHMHBGCBKE-BRWVUGGUSA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001366369334 893341650 /nfs/dbraw/zinc/34/16/50/893341650.db2.gz CWUODCDMNUYPFV-AWEZNQCLSA-N 2 1 309.841 1.965 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001366369334 893341669 /nfs/dbraw/zinc/34/16/69/893341669.db2.gz CWUODCDMNUYPFV-AWEZNQCLSA-N 2 1 309.841 1.965 20 30 DDEDMP N#Cc1ccc(F)c(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)c1 ZINC001249327767 893932832 /nfs/dbraw/zinc/93/28/32/893932832.db2.gz LNNRNQMFZAEUOX-CYBMUJFWSA-N 2 1 301.325 1.747 20 30 DDEDMP CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001366639583 894398103 /nfs/dbraw/zinc/39/81/03/894398103.db2.gz QSISMVXEDYKAHA-QGZVFWFLSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001251840625 894836509 /nfs/dbraw/zinc/83/65/09/894836509.db2.gz RMXAQBHBURLJKX-KRWDZBQOSA-N 2 1 306.450 1.338 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001251840625 894836529 /nfs/dbraw/zinc/83/65/29/894836529.db2.gz RMXAQBHBURLJKX-KRWDZBQOSA-N 2 1 306.450 1.338 20 30 DDEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278782196 896425799 /nfs/dbraw/zinc/42/57/99/896425799.db2.gz SPXQCYWFOARFCG-RHSMWYFYSA-N 2 1 320.437 1.136 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278782196 896425806 /nfs/dbraw/zinc/42/58/06/896425806.db2.gz SPXQCYWFOARFCG-RHSMWYFYSA-N 2 1 320.437 1.136 20 30 DDEDMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001264022344 900874770 /nfs/dbraw/zinc/87/47/70/900874770.db2.gz BDLYNELBINRMDN-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001264106092 900938995 /nfs/dbraw/zinc/93/89/95/900938995.db2.gz NBVBKVMGYYROID-HZPDHXFCSA-N 2 1 311.470 1.310 20 30 DDEDMP C=C(C)C[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264106092 900939005 /nfs/dbraw/zinc/93/90/05/900939005.db2.gz NBVBKVMGYYROID-HZPDHXFCSA-N 2 1 311.470 1.310 20 30 DDEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001264106092 900939015 /nfs/dbraw/zinc/93/90/15/900939015.db2.gz NBVBKVMGYYROID-HZPDHXFCSA-N 2 1 311.470 1.310 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264126754 900961406 /nfs/dbraw/zinc/96/14/06/900961406.db2.gz YGPBWSCUFQAAES-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@H+](C)C(C)C ZINC001264586742 901197282 /nfs/dbraw/zinc/19/72/82/901197282.db2.gz TXLBOJGPGIHZSQ-HYVNUMGLSA-N 2 1 305.466 1.565 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001264586742 901197290 /nfs/dbraw/zinc/19/72/90/901197290.db2.gz TXLBOJGPGIHZSQ-HYVNUMGLSA-N 2 1 305.466 1.565 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001264586742 901197298 /nfs/dbraw/zinc/19/72/98/901197298.db2.gz TXLBOJGPGIHZSQ-HYVNUMGLSA-N 2 1 305.466 1.565 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001264683353 901282177 /nfs/dbraw/zinc/28/21/77/901282177.db2.gz BFZFRUXVEGHGBM-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001264970344 901357403 /nfs/dbraw/zinc/35/74/03/901357403.db2.gz IGUMFYOCXHHEBQ-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001264970344 901357412 /nfs/dbraw/zinc/35/74/12/901357412.db2.gz IGUMFYOCXHHEBQ-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001264970344 901357418 /nfs/dbraw/zinc/35/74/18/901357418.db2.gz IGUMFYOCXHHEBQ-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](C)CCC(=O)NCCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001265031079 901457975 /nfs/dbraw/zinc/45/79/75/901457975.db2.gz WKAIFAUPYYAPPG-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001265307877 901865472 /nfs/dbraw/zinc/86/54/72/901865472.db2.gz HUUBKXGAXTUVEO-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001265307877 901865475 /nfs/dbraw/zinc/86/54/75/901865475.db2.gz HUUBKXGAXTUVEO-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001265824076 902450191 /nfs/dbraw/zinc/45/01/91/902450191.db2.gz PLVBUIJSNCCHHI-HIFRSBDPSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001281672682 905148905 /nfs/dbraw/zinc/14/89/05/905148905.db2.gz BHAQGPVGJGFYEE-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001282335270 905697075 /nfs/dbraw/zinc/69/70/75/905697075.db2.gz OEGJNQJOOQUDCT-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001282997009 906429656 /nfs/dbraw/zinc/42/96/56/906429656.db2.gz RQNXJOBGEKEGKA-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001282997009 906429670 /nfs/dbraw/zinc/42/96/70/906429670.db2.gz RQNXJOBGEKEGKA-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CCC)C[C@@]2(C)C1 ZINC001282997009 906429686 /nfs/dbraw/zinc/42/96/86/906429686.db2.gz RQNXJOBGEKEGKA-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@H]1CCCC[C@@H]1O)[C@@H]1CCCC[C@@H]1O ZINC000342117296 529822791 /nfs/dbraw/zinc/82/27/91/529822791.db2.gz ASKMUQWZBQSYOK-MHORFTMASA-N 2 1 308.466 1.460 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[C@@H]1O ZINC000342117296 529822792 /nfs/dbraw/zinc/82/27/92/529822792.db2.gz ASKMUQWZBQSYOK-MHORFTMASA-N 2 1 308.466 1.460 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[C@@H]1O ZINC000342117296 529822793 /nfs/dbraw/zinc/82/27/93/529822793.db2.gz ASKMUQWZBQSYOK-MHORFTMASA-N 2 1 308.466 1.460 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000081396285 192259663 /nfs/dbraw/zinc/25/96/63/192259663.db2.gz CRNWYPNPLQDQOO-HOTGVXAUSA-N 2 1 309.454 1.132 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000081396285 192259665 /nfs/dbraw/zinc/25/96/65/192259665.db2.gz CRNWYPNPLQDQOO-HOTGVXAUSA-N 2 1 309.454 1.132 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598595419 357646960 /nfs/dbraw/zinc/64/69/60/357646960.db2.gz NRGDLONRXORNOD-JKSUJKDBSA-N 2 1 311.470 1.720 20 30 DDEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729021 358298347 /nfs/dbraw/zinc/29/83/47/358298347.db2.gz CRJJKTIRYSTTAQ-IRXDYDNUSA-N 2 1 323.481 1.625 20 30 DDEDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600736699 358301929 /nfs/dbraw/zinc/30/19/29/358301929.db2.gz QGDAJCDSYJWJAR-CVEARBPZSA-N 2 1 309.454 1.379 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000600769844 358311297 /nfs/dbraw/zinc/31/12/97/358311297.db2.gz SSVXRQKCNDYRAB-BBRMVZONSA-N 2 1 316.405 1.231 20 30 DDEDMP C[N@@H+]1CCN(CC[NH2+]Cc2cccc(F)c2C#N)CC1(C)C ZINC000602016887 358777484 /nfs/dbraw/zinc/77/74/84/358777484.db2.gz MTRKOAPNSYMZRW-UHFFFAOYSA-N 2 1 304.413 1.813 20 30 DDEDMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(F)c2C#N)CC1(C)C ZINC000602016887 358777486 /nfs/dbraw/zinc/77/74/86/358777486.db2.gz MTRKOAPNSYMZRW-UHFFFAOYSA-N 2 1 304.413 1.813 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000161650938 408622941 /nfs/dbraw/zinc/62/29/41/408622941.db2.gz FSWRCWBVAHZKIO-RHSMWYFYSA-N 2 1 313.449 1.994 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000161650938 408622945 /nfs/dbraw/zinc/62/29/45/408622945.db2.gz FSWRCWBVAHZKIO-RHSMWYFYSA-N 2 1 313.449 1.994 20 30 DDEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177696602 408687229 /nfs/dbraw/zinc/68/72/29/408687229.db2.gz NJEOTUQPBIVEGD-UHFFFAOYSA-N 2 1 306.479 1.983 20 30 DDEDMP C#CC(C)(C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000279330323 409193439 /nfs/dbraw/zinc/19/34/39/409193439.db2.gz TXWUBJLKKNPHEJ-INIZCTEOSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC(C)(C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000279330323 409193442 /nfs/dbraw/zinc/19/34/42/409193442.db2.gz TXWUBJLKKNPHEJ-INIZCTEOSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CCNC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000294296257 409273753 /nfs/dbraw/zinc/27/37/53/409273753.db2.gz WTSAQKZSSYLJEQ-UHFFFAOYSA-N 2 1 314.433 1.538 20 30 DDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000304343751 409609707 /nfs/dbraw/zinc/60/97/07/409609707.db2.gz ZTMNHBHJBJLHAJ-DLBZAZTESA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000304343751 409609718 /nfs/dbraw/zinc/60/97/18/409609718.db2.gz ZTMNHBHJBJLHAJ-DLBZAZTESA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000304343751 409609721 /nfs/dbraw/zinc/60/97/21/409609721.db2.gz ZTMNHBHJBJLHAJ-DLBZAZTESA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000304343751 409609723 /nfs/dbraw/zinc/60/97/23/409609723.db2.gz ZTMNHBHJBJLHAJ-DLBZAZTESA-N 2 1 317.433 1.572 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000298654398 410331094 /nfs/dbraw/zinc/33/10/94/410331094.db2.gz FZGNCKSPAKUJLD-INIZCTEOSA-N 2 1 308.470 1.642 20 30 DDEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352836734 410681649 /nfs/dbraw/zinc/68/16/49/410681649.db2.gz XELZYAYVRDDYGX-UHFFFAOYSA-N 2 1 307.467 1.378 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367307998 418582950 /nfs/dbraw/zinc/58/29/50/418582950.db2.gz BBHGEPDSAMSESE-GJZGRUSLSA-N 2 1 305.466 1.873 20 30 DDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCS[C@H](CC)C1 ZINC000261764464 222256654 /nfs/dbraw/zinc/25/66/54/222256654.db2.gz DGEYLRFWPOBLDC-CQSZACIVSA-N 2 1 309.483 1.984 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261770956 222257347 /nfs/dbraw/zinc/25/73/47/222257347.db2.gz NCGGOCCLUFCDCH-CFVMTHIKSA-N 2 1 308.470 1.449 20 30 DDEDMP CC[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261792678 222257760 /nfs/dbraw/zinc/25/77/60/222257760.db2.gz QOEDZMYVPYENEP-IAQYHMDHSA-N 2 1 321.494 1.989 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261997390 222268312 /nfs/dbraw/zinc/26/83/12/222268312.db2.gz SSQTZRIYEIBXLB-QGZVFWFLSA-N 2 1 308.470 1.549 20 30 DDEDMP COc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1C ZINC000264135442 222324387 /nfs/dbraw/zinc/32/43/87/222324387.db2.gz ZOHMATIBBLNIBJ-UHFFFAOYSA-N 2 1 320.437 1.130 20 30 DDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1cccn1C ZINC000262001932 222268951 /nfs/dbraw/zinc/26/89/51/222268951.db2.gz UOUQWEGCUWQVJA-MRXNPFEDSA-N 2 1 323.510 1.470 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262499820 222284480 /nfs/dbraw/zinc/28/44/80/222284480.db2.gz XWJANUHNHKUSEX-MRXNPFEDSA-N 3 1 318.469 1.327 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCOc2ccccc21 ZINC000262521635 222284642 /nfs/dbraw/zinc/28/46/42/222284642.db2.gz IOWQWAUDCDFUSD-GJZGRUSLSA-N 2 1 316.449 1.941 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COc2ccccc2O1 ZINC000263077211 222302246 /nfs/dbraw/zinc/30/22/46/222302246.db2.gz CPXIYJWDMCAPOA-ZIAGYGMSSA-N 2 1 318.421 1.215 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COc2ccccc2O1 ZINC000263077194 222302777 /nfs/dbraw/zinc/30/27/77/222302777.db2.gz CPXIYJWDMCAPOA-KBPBESRZSA-N 2 1 318.421 1.215 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N(C)C ZINC000264060902 222310964 /nfs/dbraw/zinc/31/09/64/222310964.db2.gz CUQVOXJGIUNJIL-KGLIPLIRSA-N 2 1 323.510 1.739 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000267408584 222383915 /nfs/dbraw/zinc/38/39/15/222383915.db2.gz HSHFBWMCWVCPOP-HOCLYGCPSA-N 2 1 304.438 1.590 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CO)c1ccccc1 ZINC000267421357 222385291 /nfs/dbraw/zinc/38/52/91/222385291.db2.gz KTJGAUKWCATMIA-JKSUJKDBSA-N 2 1 304.438 1.151 20 30 DDEDMP CN(C)C(=[NH+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)N(C)C ZINC000363483534 418766933 /nfs/dbraw/zinc/76/69/33/418766933.db2.gz IUCSOINFADGINF-QGZVFWFLSA-N 2 1 317.481 1.454 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)c2ccccc2n1 ZINC000596424802 422375853 /nfs/dbraw/zinc/37/58/53/422375853.db2.gz LQIBBQAIZFWXNL-UHFFFAOYSA-N 2 1 311.433 2.402 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)c2ccccc2n1 ZINC000596424802 422375858 /nfs/dbraw/zinc/37/58/58/422375858.db2.gz LQIBBQAIZFWXNL-UHFFFAOYSA-N 2 1 311.433 2.402 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H](C)COC)CC1 ZINC000577947508 422462329 /nfs/dbraw/zinc/46/23/29/422462329.db2.gz JCSHKGNHLIJMAP-GOEBONIOSA-N 2 1 300.443 1.029 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338362 424580534 /nfs/dbraw/zinc/58/05/34/424580534.db2.gz QZZXHYWJKNZRPW-HNNXBMFYSA-N 2 1 303.454 1.965 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662720768 424746720 /nfs/dbraw/zinc/74/67/20/424746720.db2.gz CVPMTCUIXTUMOE-OAHLLOKOSA-N 2 1 309.360 1.731 20 30 DDEDMP N#Cc1ccc2ncc(CNC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2c1 ZINC000369480619 268225034 /nfs/dbraw/zinc/22/50/34/268225034.db2.gz QBYYAFJSFFGRGH-GDBMZVCRSA-N 2 1 311.389 1.159 20 30 DDEDMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)n2c1 ZINC000369480619 268225037 /nfs/dbraw/zinc/22/50/37/268225037.db2.gz QBYYAFJSFFGRGH-GDBMZVCRSA-N 2 1 311.389 1.159 20 30 DDEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000569722979 308148605 /nfs/dbraw/zinc/14/86/05/308148605.db2.gz GYQISGYAHHVMRN-INIZCTEOSA-N 2 1 324.432 1.765 20 30 DDEDMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000395722821 337227271 /nfs/dbraw/zinc/22/72/71/337227271.db2.gz LSQVAKNANNLWLX-INIZCTEOSA-N 2 1 303.406 1.372 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437645 341293902 /nfs/dbraw/zinc/29/39/02/341293902.db2.gz RPEGAIMQTABRKI-QRTARXTBSA-N 2 1 306.454 1.457 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000491814983 526807147 /nfs/dbraw/zinc/80/71/47/526807147.db2.gz FAIVUAHOOAFQKE-CVEARBPZSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000491814983 526807155 /nfs/dbraw/zinc/80/71/55/526807155.db2.gz FAIVUAHOOAFQKE-CVEARBPZSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000491814983 526807157 /nfs/dbraw/zinc/80/71/57/526807157.db2.gz FAIVUAHOOAFQKE-CVEARBPZSA-N 2 1 308.470 1.456 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972409026 695241932 /nfs/dbraw/zinc/24/19/32/695241932.db2.gz NHNMDBMRVQOOOC-SFHVURJKSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972409026 695241933 /nfs/dbraw/zinc/24/19/33/695241933.db2.gz NHNMDBMRVQOOOC-SFHVURJKSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972409026 695241934 /nfs/dbraw/zinc/24/19/34/695241934.db2.gz NHNMDBMRVQOOOC-SFHVURJKSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974657516 695705685 /nfs/dbraw/zinc/70/56/85/695705685.db2.gz OUIPHNAIQAINAO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974657516 695705686 /nfs/dbraw/zinc/70/56/86/695705686.db2.gz OUIPHNAIQAINAO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974657516 695705687 /nfs/dbraw/zinc/70/56/87/695705687.db2.gz OUIPHNAIQAINAO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978143963 696330750 /nfs/dbraw/zinc/33/07/50/696330750.db2.gz KNMTYLURCGBIBC-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978143963 696330752 /nfs/dbraw/zinc/33/07/52/696330752.db2.gz KNMTYLURCGBIBC-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978143963 696330754 /nfs/dbraw/zinc/33/07/54/696330754.db2.gz KNMTYLURCGBIBC-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981431434 697095480 /nfs/dbraw/zinc/09/54/80/697095480.db2.gz OUPUKPCLKPTWLO-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981431434 697095482 /nfs/dbraw/zinc/09/54/82/697095482.db2.gz OUPUKPCLKPTWLO-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000981438020 697097262 /nfs/dbraw/zinc/09/72/62/697097262.db2.gz IISIPCLKGMTOSG-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000981438020 697097264 /nfs/dbraw/zinc/09/72/64/697097264.db2.gz IISIPCLKGMTOSG-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000981438020 697097266 /nfs/dbraw/zinc/09/72/66/697097266.db2.gz IISIPCLKGMTOSG-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554065 697149524 /nfs/dbraw/zinc/14/95/24/697149524.db2.gz UCCIFPDSRMDHDI-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554065 697149525 /nfs/dbraw/zinc/14/95/25/697149525.db2.gz UCCIFPDSRMDHDI-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554065 697149527 /nfs/dbraw/zinc/14/95/27/697149527.db2.gz UCCIFPDSRMDHDI-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cncn3C)C[C@@]2(C)C1 ZINC000982735629 697174437 /nfs/dbraw/zinc/17/44/37/697174437.db2.gz JKCOQZKQCZAFGN-CALCHBBNSA-N 2 1 302.422 1.319 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000985759745 697569741 /nfs/dbraw/zinc/56/97/41/697569741.db2.gz USZJURXDQYMKPO-UHFFFAOYSA-N 2 1 302.422 1.870 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987103159 697993986 /nfs/dbraw/zinc/99/39/86/697993986.db2.gz DWGKMMGQSMURSH-HUUCEWRRSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(=C)C)CC2)CC1 ZINC000989735055 698745520 /nfs/dbraw/zinc/74/55/20/698745520.db2.gz QIXHNKYJKZTFKM-UHFFFAOYSA-N 2 1 303.450 1.442 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990788100 699159808 /nfs/dbraw/zinc/15/98/08/699159808.db2.gz GRCVITTULBNCQQ-MJQMVNBJSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990788100 699159810 /nfs/dbraw/zinc/15/98/10/699159810.db2.gz GRCVITTULBNCQQ-MJQMVNBJSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990788100 699159812 /nfs/dbraw/zinc/15/98/12/699159812.db2.gz GRCVITTULBNCQQ-MJQMVNBJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000754398629 700500002 /nfs/dbraw/zinc/50/00/02/700500002.db2.gz JDXQLXVBAWZWDQ-ULQDDVLXSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000754398629 700500004 /nfs/dbraw/zinc/50/00/04/700500004.db2.gz JDXQLXVBAWZWDQ-ULQDDVLXSA-N 2 1 321.465 1.090 20 30 DDEDMP C[NH+]1CCC(C#N)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810118811 701733307 /nfs/dbraw/zinc/73/33/07/701733307.db2.gz FFWNVGWPOJEZFG-INIZCTEOSA-N 2 1 310.417 1.303 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000841387386 702432783 /nfs/dbraw/zinc/43/27/83/702432783.db2.gz SZKPYHGBWHSXFT-SFHVURJKSA-N 2 1 313.445 1.847 20 30 DDEDMP C#CC[C@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000842628262 702745645 /nfs/dbraw/zinc/74/56/45/702745645.db2.gz ABZSODMTGAFBAC-MAUKXSAKSA-N 2 1 317.433 1.596 20 30 DDEDMP C#CC[C@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000842628262 702745648 /nfs/dbraw/zinc/74/56/48/702745648.db2.gz ABZSODMTGAFBAC-MAUKXSAKSA-N 2 1 317.433 1.596 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000843072621 702813731 /nfs/dbraw/zinc/81/37/31/702813731.db2.gz JMSRBTSJNHJQDK-MSOLQXFVSA-N 2 1 317.433 1.418 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763364 704118350 /nfs/dbraw/zinc/11/83/50/704118350.db2.gz QMRCLAAIMHWMSO-ZDUSSCGKSA-N 2 1 309.845 1.751 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763364 704118352 /nfs/dbraw/zinc/11/83/52/704118352.db2.gz QMRCLAAIMHWMSO-ZDUSSCGKSA-N 2 1 309.845 1.751 20 30 DDEDMP C#C[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000820086475 704219077 /nfs/dbraw/zinc/21/90/77/704219077.db2.gz FMVFRSAQLKUKOE-HOTGVXAUSA-N 2 1 308.470 1.313 20 30 DDEDMP C#C[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000820086475 704219078 /nfs/dbraw/zinc/21/90/78/704219078.db2.gz FMVFRSAQLKUKOE-HOTGVXAUSA-N 2 1 308.470 1.313 20 30 DDEDMP C[NH+]1CCN([NH+]=Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000853256030 704226296 /nfs/dbraw/zinc/22/62/96/704226296.db2.gz LFKFQYAWMYAYNG-UHFFFAOYSA-N 2 1 302.422 1.229 20 30 DDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000853598469 704281704 /nfs/dbraw/zinc/28/17/04/704281704.db2.gz BLHGWSIIAKZUSK-OKILXGFUSA-N 2 1 318.421 1.143 20 30 DDEDMP C#Cc1cccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000825225921 705629099 /nfs/dbraw/zinc/62/90/99/705629099.db2.gz BJEMTYFFVNOSHC-UHFFFAOYSA-N 2 1 321.428 1.500 20 30 DDEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878728426 706482897 /nfs/dbraw/zinc/48/28/97/706482897.db2.gz ODGUWRONCPLJDY-CQSZACIVSA-N 2 1 314.433 1.761 20 30 DDEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878728426 706482898 /nfs/dbraw/zinc/48/28/98/706482898.db2.gz ODGUWRONCPLJDY-CQSZACIVSA-N 2 1 314.433 1.761 20 30 DDEDMP C#CC[C@H](CCOC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872216531 707333038 /nfs/dbraw/zinc/33/30/38/707333038.db2.gz WTDSZGIKYGMQGJ-MOPGFXCFSA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[C@H](CCOC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872216531 707333045 /nfs/dbraw/zinc/33/30/45/707333045.db2.gz WTDSZGIKYGMQGJ-MOPGFXCFSA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000838624373 707955930 /nfs/dbraw/zinc/95/59/30/707955930.db2.gz ULUFIMKJTFVHLF-UHFFFAOYSA-N 2 1 322.497 1.705 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884179915 708174843 /nfs/dbraw/zinc/17/48/43/708174843.db2.gz FXWPVYNTOJMTLR-VUGNNNGISA-N 2 1 318.465 1.506 20 30 DDEDMP C#CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000886575716 708779647 /nfs/dbraw/zinc/77/96/47/708779647.db2.gz HIZDTIDMLBWPIB-SFHVURJKSA-N 2 1 323.456 1.755 20 30 DDEDMP COCC[N@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]CC1CC1 ZINC000912506278 711357348 /nfs/dbraw/zinc/35/73/48/711357348.db2.gz LLLSDACHXRZEEE-HNNXBMFYSA-N 2 1 310.486 1.841 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000916874331 713471665 /nfs/dbraw/zinc/47/16/65/713471665.db2.gz VXQROXCPCNNURI-INIZCTEOSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](C)CCCC)CC1 ZINC000922519092 714077223 /nfs/dbraw/zinc/07/72/23/714077223.db2.gz OKQXZXYCQVSNES-OAHLLOKOSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000923125413 714245177 /nfs/dbraw/zinc/24/51/77/714245177.db2.gz CDSVVKUBFXEPTH-IAGOWNOFSA-N 2 1 318.465 1.400 20 30 DDEDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000923372549 714332113 /nfs/dbraw/zinc/33/21/13/714332113.db2.gz HZFWKEXOZKDYIZ-SMKXDYDZSA-N 2 1 303.406 1.274 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925635644 714904853 /nfs/dbraw/zinc/90/48/53/714904853.db2.gz SZWHMCRCDIBXRR-LSDHHAIUSA-N 2 1 300.468 1.345 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554377 716618703 /nfs/dbraw/zinc/61/87/03/716618703.db2.gz DMOGMKZWOYUOCU-DLBZAZTESA-N 2 1 323.481 1.092 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756882 716946348 /nfs/dbraw/zinc/94/63/48/716946348.db2.gz LTYKBQQNPTYRPA-OAGGEKHMSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756882 716946350 /nfs/dbraw/zinc/94/63/50/716946350.db2.gz LTYKBQQNPTYRPA-OAGGEKHMSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756882 716946356 /nfs/dbraw/zinc/94/63/56/716946356.db2.gz LTYKBQQNPTYRPA-OAGGEKHMSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940978323 717058631 /nfs/dbraw/zinc/05/86/31/717058631.db2.gz AGXPNBLDICLTNR-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940978323 717058635 /nfs/dbraw/zinc/05/86/35/717058635.db2.gz AGXPNBLDICLTNR-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940978323 717058639 /nfs/dbraw/zinc/05/86/39/717058639.db2.gz AGXPNBLDICLTNR-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167073 717120335 /nfs/dbraw/zinc/12/03/35/717120335.db2.gz QDQFLCLVFILHIE-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942171486 717521745 /nfs/dbraw/zinc/52/17/45/717521745.db2.gz AGWRXRHYSSXWLA-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942444165 717679650 /nfs/dbraw/zinc/67/96/50/717679650.db2.gz LVKVFACDGNRQQP-ZBFHGGJFSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417224 719572532 /nfs/dbraw/zinc/57/25/32/719572532.db2.gz DMYUIYNFECKCNY-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417224 719572538 /nfs/dbraw/zinc/57/25/38/719572538.db2.gz DMYUIYNFECKCNY-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000948746383 719683741 /nfs/dbraw/zinc/68/37/41/719683741.db2.gz XWOOIBQYBGNCSD-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000948746383 719683744 /nfs/dbraw/zinc/68/37/44/719683744.db2.gz XWOOIBQYBGNCSD-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000968855918 719825994 /nfs/dbraw/zinc/82/59/94/719825994.db2.gz BZSJPZPJVMDVEZ-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855918 719826001 /nfs/dbraw/zinc/82/60/01/719826001.db2.gz BZSJPZPJVMDVEZ-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000968855918 719826006 /nfs/dbraw/zinc/82/60/06/719826006.db2.gz BZSJPZPJVMDVEZ-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000968954841 719896835 /nfs/dbraw/zinc/89/68/35/719896835.db2.gz UYKIOZHXKBOBHP-MSOLQXFVSA-N 2 1 311.429 1.475 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000968954841 719896843 /nfs/dbraw/zinc/89/68/43/719896843.db2.gz UYKIOZHXKBOBHP-MSOLQXFVSA-N 2 1 311.429 1.475 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000950089980 720485859 /nfs/dbraw/zinc/48/58/59/720485859.db2.gz RUSONPSZFDBVOF-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000950089980 720485860 /nfs/dbraw/zinc/48/58/60/720485860.db2.gz RUSONPSZFDBVOF-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000950090202 720486197 /nfs/dbraw/zinc/48/61/97/720486197.db2.gz YUWZOYMXHPSRDM-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000950090202 720486198 /nfs/dbraw/zinc/48/61/98/720486198.db2.gz YUWZOYMXHPSRDM-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969838185 720528159 /nfs/dbraw/zinc/52/81/59/720528159.db2.gz WLXXBSRFCPHDKN-UKRRQHHQSA-N 2 1 300.406 1.220 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000950381231 720606280 /nfs/dbraw/zinc/60/62/80/720606280.db2.gz MVZKNEGAXNISEJ-NVXWUHKLSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000972672871 735457028 /nfs/dbraw/zinc/45/70/28/735457028.db2.gz BGFLYJVOXDYMHG-SFHVURJKSA-N 2 1 321.465 1.352 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001027610290 738465841 /nfs/dbraw/zinc/46/58/41/738465841.db2.gz IUBNQLBLBSHLMK-INIZCTEOSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001027685884 738550322 /nfs/dbraw/zinc/55/03/22/738550322.db2.gz QNDJINFLHNTXHW-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470884 732328425 /nfs/dbraw/zinc/32/84/25/732328425.db2.gz WAVHGQOIGOSKAB-RDJZCZTQSA-N 2 1 302.422 1.596 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502953 732444911 /nfs/dbraw/zinc/44/49/11/732444911.db2.gz YVLOFBSGEPAEHY-ZOBUZTSGSA-N 2 1 303.450 1.654 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001098532710 732823031 /nfs/dbraw/zinc/82/30/31/732823031.db2.gz AZMJCKJIOOLVHN-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098532710 732823035 /nfs/dbraw/zinc/82/30/35/732823035.db2.gz AZMJCKJIOOLVHN-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098532710 732823039 /nfs/dbraw/zinc/82/30/39/732823039.db2.gz AZMJCKJIOOLVHN-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385622 733364283 /nfs/dbraw/zinc/36/42/83/733364283.db2.gz LIUWTEQBOQKEIB-INIZCTEOSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001112530124 738724733 /nfs/dbraw/zinc/72/47/33/738724733.db2.gz FEAZSKKCEPDQQX-LPHOPBHVSA-N 2 1 317.477 1.570 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023379594 735204084 /nfs/dbraw/zinc/20/40/84/735204084.db2.gz LCUDWUUBDMVZSF-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023379594 735204085 /nfs/dbraw/zinc/20/40/85/735204085.db2.gz LCUDWUUBDMVZSF-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023379594 735204086 /nfs/dbraw/zinc/20/40/86/735204086.db2.gz LCUDWUUBDMVZSF-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023379594 735204087 /nfs/dbraw/zinc/20/40/87/735204087.db2.gz LCUDWUUBDMVZSF-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1cncn1C ZINC001087312211 736042139 /nfs/dbraw/zinc/04/21/39/736042139.db2.gz AWIGGGWZSYOTFU-HYVNUMGLSA-N 2 1 314.433 1.201 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087312751 736049194 /nfs/dbraw/zinc/04/91/94/736049194.db2.gz JTVGUMWCFRVGCN-OAGGEKHMSA-N 2 1 317.477 1.873 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087317538 736080517 /nfs/dbraw/zinc/08/05/17/736080517.db2.gz KBFWDHGCKVZVJF-KBAYOESNSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC#CC)CC1 ZINC001024813324 736108277 /nfs/dbraw/zinc/10/82/77/736108277.db2.gz ZERSHIRCHROXJD-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947524 736171296 /nfs/dbraw/zinc/17/12/96/736171296.db2.gz MWOWNPRGIGRDHW-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001025227858 736378000 /nfs/dbraw/zinc/37/80/00/736378000.db2.gz SWQYAPODEBYGBE-JKSUJKDBSA-N 2 1 314.433 1.821 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525626 736737596 /nfs/dbraw/zinc/73/75/96/736737596.db2.gz QJERENALOYQSLR-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001026420043 737518974 /nfs/dbraw/zinc/51/89/74/737518974.db2.gz CPVVHMBEHNPEJE-ARFHVFGLSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027546214 738392647 /nfs/dbraw/zinc/39/26/47/738392647.db2.gz NBXCWMKWNDVJNT-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027546214 738392650 /nfs/dbraw/zinc/39/26/50/738392650.db2.gz NBXCWMKWNDVJNT-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164147 751402304 /nfs/dbraw/zinc/40/23/04/751402304.db2.gz UZPWVPAMYABFLY-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648181 739848218 /nfs/dbraw/zinc/84/82/18/739848218.db2.gz UTNLVNBXJFRREF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028648181 739848223 /nfs/dbraw/zinc/84/82/23/739848223.db2.gz UTNLVNBXJFRREF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028648181 739848232 /nfs/dbraw/zinc/84/82/32/739848232.db2.gz UTNLVNBXJFRREF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758797 740000042 /nfs/dbraw/zinc/00/00/42/740000042.db2.gz XCJRFYQBPYOIOV-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758797 740000048 /nfs/dbraw/zinc/00/00/48/740000048.db2.gz XCJRFYQBPYOIOV-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758797 740000055 /nfs/dbraw/zinc/00/00/55/740000055.db2.gz XCJRFYQBPYOIOV-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035431374 751508910 /nfs/dbraw/zinc/50/89/10/751508910.db2.gz FQYMONJTPGOCAO-OAHLLOKOSA-N 2 1 307.438 1.008 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035431374 751508913 /nfs/dbraw/zinc/50/89/13/751508913.db2.gz FQYMONJTPGOCAO-OAHLLOKOSA-N 2 1 307.438 1.008 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028902249 740157429 /nfs/dbraw/zinc/15/74/29/740157429.db2.gz RSBUZMBRZQBXRS-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@H]2C1 ZINC001088080697 741005229 /nfs/dbraw/zinc/00/52/29/741005229.db2.gz KAKPKTXUSCLCEW-IKGGRYGDSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080697 741005232 /nfs/dbraw/zinc/00/52/32/741005232.db2.gz KAKPKTXUSCLCEW-IKGGRYGDSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080697 741005234 /nfs/dbraw/zinc/00/52/34/741005234.db2.gz KAKPKTXUSCLCEW-IKGGRYGDSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080697 741005236 /nfs/dbraw/zinc/00/52/36/741005236.db2.gz KAKPKTXUSCLCEW-IKGGRYGDSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080697 741005238 /nfs/dbraw/zinc/00/52/38/741005238.db2.gz KAKPKTXUSCLCEW-IKGGRYGDSA-N 2 1 321.465 1.062 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129301 741050325 /nfs/dbraw/zinc/05/03/25/741050325.db2.gz HHFNRRVOSOGRPX-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129301 741050329 /nfs/dbraw/zinc/05/03/29/741050329.db2.gz HHFNRRVOSOGRPX-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129301 741050335 /nfs/dbraw/zinc/05/03/35/741050335.db2.gz HHFNRRVOSOGRPX-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628469 751718191 /nfs/dbraw/zinc/71/81/91/751718191.db2.gz CDGYOBJEZPTHRX-MPGHIAIKSA-N 2 1 321.440 1.507 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001032628469 751718197 /nfs/dbraw/zinc/71/81/97/751718197.db2.gz CDGYOBJEZPTHRX-MPGHIAIKSA-N 2 1 321.440 1.507 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628469 751718207 /nfs/dbraw/zinc/71/82/07/751718207.db2.gz CDGYOBJEZPTHRX-MPGHIAIKSA-N 2 1 321.440 1.507 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001032628469 751718210 /nfs/dbraw/zinc/71/82/10/751718210.db2.gz CDGYOBJEZPTHRX-MPGHIAIKSA-N 2 1 321.440 1.507 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076083857 742532199 /nfs/dbraw/zinc/53/21/99/742532199.db2.gz UWEPAVPZSLLGDO-KSZLIROESA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035718101 751787739 /nfs/dbraw/zinc/78/77/39/751787739.db2.gz XZXOKDSGOSBCNV-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035796438 751882974 /nfs/dbraw/zinc/88/29/74/751882974.db2.gz DBPVWJUPAZAHKI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185679263 744274317 /nfs/dbraw/zinc/27/43/17/744274317.db2.gz BCPDJCOKYLFAQK-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCCN3C)CCC[C@@H]12 ZINC000992115823 744609664 /nfs/dbraw/zinc/60/96/64/744609664.db2.gz CTFXTLYQIRWNJF-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992115823 744609667 /nfs/dbraw/zinc/60/96/67/744609667.db2.gz CTFXTLYQIRWNJF-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992115823 744609669 /nfs/dbraw/zinc/60/96/69/744609669.db2.gz CTFXTLYQIRWNJF-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992115823 744609670 /nfs/dbraw/zinc/60/96/70/744609670.db2.gz CTFXTLYQIRWNJF-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188361713 744701243 /nfs/dbraw/zinc/70/12/43/744701243.db2.gz QQSLLJKGAOWJJD-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188361713 744701247 /nfs/dbraw/zinc/70/12/47/744701247.db2.gz QQSLLJKGAOWJJD-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992283752 744748745 /nfs/dbraw/zinc/74/87/45/744748745.db2.gz LBDFKVNQWDOONQ-PKOBYXMFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099140545 744764277 /nfs/dbraw/zinc/76/42/77/744764277.db2.gz ZROQNDUVSDRWJW-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099140545 744764278 /nfs/dbraw/zinc/76/42/78/744764278.db2.gz ZROQNDUVSDRWJW-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188969701 744802218 /nfs/dbraw/zinc/80/22/18/744802218.db2.gz AGZFXGJLSODBMM-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC)CC3)CC1 ZINC000992505034 744924941 /nfs/dbraw/zinc/92/49/41/744924941.db2.gz HIWAUIBOBTWMMO-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189668939 744941135 /nfs/dbraw/zinc/94/11/35/744941135.db2.gz QZYJSYLXWAOCJG-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189668939 744941137 /nfs/dbraw/zinc/94/11/37/744941137.db2.gz QZYJSYLXWAOCJG-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192356244 745766053 /nfs/dbraw/zinc/76/60/53/745766053.db2.gz XXMPGIGBPRXPPI-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192356244 745766055 /nfs/dbraw/zinc/76/60/55/745766055.db2.gz XXMPGIGBPRXPPI-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192356244 745766057 /nfs/dbraw/zinc/76/60/57/745766057.db2.gz XXMPGIGBPRXPPI-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570850 745804690 /nfs/dbraw/zinc/80/46/90/745804690.db2.gz BOWDBRFHNICRRS-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106583008 745811959 /nfs/dbraw/zinc/81/19/59/745811959.db2.gz KPMMSLZXPGTKLW-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733443 745858262 /nfs/dbraw/zinc/85/82/62/745858262.db2.gz OGTBWWHXUXGWEL-CABCVRRESA-N 2 1 321.421 1.082 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733443 745858265 /nfs/dbraw/zinc/85/82/65/745858265.db2.gz OGTBWWHXUXGWEL-CABCVRRESA-N 2 1 321.421 1.082 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729805 745979256 /nfs/dbraw/zinc/97/92/56/745979256.db2.gz ZXGVLVQKGQLGKP-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001196910174 747006675 /nfs/dbraw/zinc/00/66/75/747006675.db2.gz LHDYQSVKNWMSAQ-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001196910174 747006679 /nfs/dbraw/zinc/00/66/79/747006679.db2.gz LHDYQSVKNWMSAQ-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001196910174 747006681 /nfs/dbraw/zinc/00/66/81/747006681.db2.gz LHDYQSVKNWMSAQ-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001196910174 747006683 /nfs/dbraw/zinc/00/66/83/747006683.db2.gz LHDYQSVKNWMSAQ-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491785 747094099 /nfs/dbraw/zinc/09/40/99/747094099.db2.gz VCFLYDXETQZONL-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491785 747094106 /nfs/dbraw/zinc/09/41/06/747094106.db2.gz VCFLYDXETQZONL-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491785 747094112 /nfs/dbraw/zinc/09/41/12/747094112.db2.gz VCFLYDXETQZONL-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492756 747102733 /nfs/dbraw/zinc/10/27/33/747102733.db2.gz OCZJEYWORAQILS-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492756 747102739 /nfs/dbraw/zinc/10/27/39/747102739.db2.gz OCZJEYWORAQILS-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492756 747102743 /nfs/dbraw/zinc/10/27/43/747102743.db2.gz OCZJEYWORAQILS-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221986 747411029 /nfs/dbraw/zinc/41/10/29/747411029.db2.gz SAQRRCVGIAVXDU-CALCHBBNSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221986 747411035 /nfs/dbraw/zinc/41/10/35/747411035.db2.gz SAQRRCVGIAVXDU-CALCHBBNSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001198221986 747411038 /nfs/dbraw/zinc/41/10/38/747411038.db2.gz SAQRRCVGIAVXDU-CALCHBBNSA-N 2 1 323.481 1.596 20 30 DDEDMP COCC#CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243305 747425740 /nfs/dbraw/zinc/42/57/40/747425740.db2.gz GTRSGJPEUYVVRJ-UHFFFAOYSA-N 2 1 321.465 1.047 20 30 DDEDMP COCC#CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198243305 747425743 /nfs/dbraw/zinc/42/57/43/747425743.db2.gz GTRSGJPEUYVVRJ-UHFFFAOYSA-N 2 1 321.465 1.047 20 30 DDEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089621321 747484581 /nfs/dbraw/zinc/48/45/81/747484581.db2.gz QVBXTHLGQUCAAA-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089621321 747484583 /nfs/dbraw/zinc/48/45/83/747484583.db2.gz QVBXTHLGQUCAAA-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089621321 747484586 /nfs/dbraw/zinc/48/45/86/747484586.db2.gz QVBXTHLGQUCAAA-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089621321 747484590 /nfs/dbraw/zinc/48/45/90/747484590.db2.gz QVBXTHLGQUCAAA-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001089838183 748032174 /nfs/dbraw/zinc/03/21/74/748032174.db2.gz JJFFAZCFMCKCPV-QAETUUGQSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001089838183 748032183 /nfs/dbraw/zinc/03/21/83/748032183.db2.gz JJFFAZCFMCKCPV-QAETUUGQSA-N 2 1 314.433 1.546 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004466849 748454602 /nfs/dbraw/zinc/45/46/02/748454602.db2.gz WMZZVAYTRYKEGM-MSOLQXFVSA-N 2 1 319.493 1.909 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986689 748485018 /nfs/dbraw/zinc/48/50/18/748485018.db2.gz ZYHTXOMIKWWQKG-BXUZGUMPSA-N 2 1 310.829 1.628 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144971 748560246 /nfs/dbraw/zinc/56/02/46/748560246.db2.gz DBYQGNGOXIGUSV-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144971 748560250 /nfs/dbraw/zinc/56/02/50/748560250.db2.gz DBYQGNGOXIGUSV-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033144971 748560253 /nfs/dbraw/zinc/56/02/53/748560253.db2.gz DBYQGNGOXIGUSV-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033144971 748560258 /nfs/dbraw/zinc/56/02/58/748560258.db2.gz DBYQGNGOXIGUSV-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202145104 748695488 /nfs/dbraw/zinc/69/54/88/748695488.db2.gz SLGJMWUBTJIYNY-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147842 748696536 /nfs/dbraw/zinc/69/65/36/748696536.db2.gz KZOPTUTVYCLFSH-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223529 748979874 /nfs/dbraw/zinc/97/98/74/748979874.db2.gz RLOXXQHRMSYFGT-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223529 748979880 /nfs/dbraw/zinc/97/98/80/748979880.db2.gz RLOXXQHRMSYFGT-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223529 748979889 /nfs/dbraw/zinc/97/98/89/748979889.db2.gz RLOXXQHRMSYFGT-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489945 749434679 /nfs/dbraw/zinc/43/46/79/749434679.db2.gz LEAKEQBUTRNTCE-MRXNPFEDSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996309233 749502347 /nfs/dbraw/zinc/50/23/47/749502347.db2.gz HOJNTCPOKQVCQQ-ZBFHGGJFSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996312149 749504010 /nfs/dbraw/zinc/50/40/10/749504010.db2.gz WWSJNIWJVJGNNW-HOCLYGCPSA-N 2 1 314.433 1.214 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033541759 749516794 /nfs/dbraw/zinc/51/67/94/749516794.db2.gz ZKTVTUPQHIUZNM-MRXNPFEDSA-N 2 1 311.389 1.600 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033541759 749516798 /nfs/dbraw/zinc/51/67/98/749516798.db2.gz ZKTVTUPQHIUZNM-MRXNPFEDSA-N 2 1 311.389 1.600 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001005209005 749541489 /nfs/dbraw/zinc/54/14/89/749541489.db2.gz JDKJHTIDZWCKJI-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209005 749541493 /nfs/dbraw/zinc/54/14/93/749541493.db2.gz JDKJHTIDZWCKJI-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095405447 749722677 /nfs/dbraw/zinc/72/26/77/749722677.db2.gz VGVMIXVSSLLOPN-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095405447 749722680 /nfs/dbraw/zinc/72/26/80/749722680.db2.gz VGVMIXVSSLLOPN-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095405447 749722684 /nfs/dbraw/zinc/72/26/84/749722684.db2.gz VGVMIXVSSLLOPN-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001095405447 749722688 /nfs/dbraw/zinc/72/26/88/749722688.db2.gz VGVMIXVSSLLOPN-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001033865388 749991601 /nfs/dbraw/zinc/99/16/01/749991601.db2.gz RNBBHRZHDKYWLX-RBSFLKMASA-N 2 1 300.406 1.459 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001033865388 749991611 /nfs/dbraw/zinc/99/16/11/749991611.db2.gz RNBBHRZHDKYWLX-RBSFLKMASA-N 2 1 300.406 1.459 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001033865388 749991614 /nfs/dbraw/zinc/99/16/14/749991614.db2.gz RNBBHRZHDKYWLX-RBSFLKMASA-N 2 1 300.406 1.459 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005499057 750290771 /nfs/dbraw/zinc/29/07/71/750290771.db2.gz ZMURWJBMDZNDHA-MRXNPFEDSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001111161519 750398348 /nfs/dbraw/zinc/39/83/48/750398348.db2.gz NUPCSTPYJZJDAD-ZACQAIPSSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001111161519 750398352 /nfs/dbraw/zinc/39/83/52/750398352.db2.gz NUPCSTPYJZJDAD-ZACQAIPSSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161519 750398356 /nfs/dbraw/zinc/39/83/56/750398356.db2.gz NUPCSTPYJZJDAD-ZACQAIPSSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001111161519 750398358 /nfs/dbraw/zinc/39/83/58/750398358.db2.gz NUPCSTPYJZJDAD-ZACQAIPSSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394804 762037502 /nfs/dbraw/zinc/03/75/02/762037502.db2.gz KBYIRZDWGHWWCZ-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394804 762037510 /nfs/dbraw/zinc/03/75/10/762037510.db2.gz KBYIRZDWGHWWCZ-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394804 762037512 /nfs/dbraw/zinc/03/75/12/762037512.db2.gz KBYIRZDWGHWWCZ-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077765472 750569473 /nfs/dbraw/zinc/56/94/73/750569473.db2.gz PFFJTDYTCNNLKN-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001077765472 750569475 /nfs/dbraw/zinc/56/94/75/750569475.db2.gz PFFJTDYTCNNLKN-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001034653721 750632513 /nfs/dbraw/zinc/63/25/13/750632513.db2.gz QQSNJFFSEHTLGT-VQHPVUNQSA-N 2 1 321.465 1.443 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997190264 750677121 /nfs/dbraw/zinc/67/71/21/750677121.db2.gz LUICICNPORJKME-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001034694196 750730961 /nfs/dbraw/zinc/73/09/61/750730961.db2.gz MNCFPZCDKGTYDT-DSZOFWSKSA-N 2 1 319.449 1.053 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001034719676 750767593 /nfs/dbraw/zinc/76/75/93/750767593.db2.gz WWTSOTUVPYXSHX-JYJNAYRXSA-N 2 1 314.433 1.404 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114629995 750884069 /nfs/dbraw/zinc/88/40/69/750884069.db2.gz RKTIWHCVFFTGRY-QLPKVWCKSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997430673 750924759 /nfs/dbraw/zinc/92/47/59/750924759.db2.gz GWJUNZCCMUIWDB-ZBFHGGJFSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997430673 750924762 /nfs/dbraw/zinc/92/47/62/750924762.db2.gz GWJUNZCCMUIWDB-ZBFHGGJFSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001000676756 762080520 /nfs/dbraw/zinc/08/05/20/762080520.db2.gz QUGNCYZUJDKANS-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000681913 762084792 /nfs/dbraw/zinc/08/47/92/762084792.db2.gz FYZVCFHDMNBACV-DLBZAZTESA-N 2 1 301.434 1.242 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007750483 752313311 /nfs/dbraw/zinc/31/33/11/752313311.db2.gz XYVFAJOQJVJHSV-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007750483 752313317 /nfs/dbraw/zinc/31/33/17/752313317.db2.gz XYVFAJOQJVJHSV-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007750483 752313321 /nfs/dbraw/zinc/31/33/21/752313321.db2.gz XYVFAJOQJVJHSV-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007750483 752313329 /nfs/dbraw/zinc/31/33/29/752313329.db2.gz XYVFAJOQJVJHSV-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284017 752653060 /nfs/dbraw/zinc/65/30/60/752653060.db2.gz XEFSSUIRBUGBJT-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284017 752653063 /nfs/dbraw/zinc/65/30/63/752653063.db2.gz XEFSSUIRBUGBJT-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284017 752653067 /nfs/dbraw/zinc/65/30/67/752653067.db2.gz XEFSSUIRBUGBJT-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284017 752653070 /nfs/dbraw/zinc/65/30/70/752653070.db2.gz XEFSSUIRBUGBJT-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533493 752785841 /nfs/dbraw/zinc/78/58/41/752785841.db2.gz MDBYUFCUKKDRBJ-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533493 752785843 /nfs/dbraw/zinc/78/58/43/752785843.db2.gz MDBYUFCUKKDRBJ-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000999315498 752821614 /nfs/dbraw/zinc/82/16/14/752821614.db2.gz DUZQXBYJIKCRLY-HPUBIQBYSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000835407 762246285 /nfs/dbraw/zinc/24/62/85/762246285.db2.gz AXSDBTFZDHADEA-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000835407 762246290 /nfs/dbraw/zinc/24/62/90/762246290.db2.gz AXSDBTFZDHADEA-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000835407 762246296 /nfs/dbraw/zinc/24/62/96/762246296.db2.gz AXSDBTFZDHADEA-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000835407 762246300 /nfs/dbraw/zinc/24/63/00/762246300.db2.gz AXSDBTFZDHADEA-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726210 754321525 /nfs/dbraw/zinc/32/15/25/754321525.db2.gz RJRUCGNPKREIGV-CABCVRRESA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081025970 756182510 /nfs/dbraw/zinc/18/25/10/756182510.db2.gz GZXQQNKWXLTXEP-GDBMZVCRSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001081025970 756182513 /nfs/dbraw/zinc/18/25/13/756182513.db2.gz GZXQQNKWXLTXEP-GDBMZVCRSA-N 2 1 317.433 1.805 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015302116 756230314 /nfs/dbraw/zinc/23/03/14/756230314.db2.gz ARJBHFWVYOCFQG-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015302116 756230316 /nfs/dbraw/zinc/23/03/16/756230316.db2.gz ARJBHFWVYOCFQG-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040239901 762452783 /nfs/dbraw/zinc/45/27/83/762452783.db2.gz AREMXFSGWQXRMH-GOSISDBHSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799123 756484365 /nfs/dbraw/zinc/48/43/65/756484365.db2.gz DDJINMSQLNBBDH-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799123 756484367 /nfs/dbraw/zinc/48/43/67/756484367.db2.gz DDJINMSQLNBBDH-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799123 756484369 /nfs/dbraw/zinc/48/43/69/756484369.db2.gz DDJINMSQLNBBDH-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799123 756484372 /nfs/dbraw/zinc/48/43/72/756484372.db2.gz DDJINMSQLNBBDH-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082568347 756854591 /nfs/dbraw/zinc/85/45/91/756854591.db2.gz OTTYASKHZJTABA-NXHRZFHOSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCCC2)C1 ZINC001082568347 756854596 /nfs/dbraw/zinc/85/45/96/756854596.db2.gz OTTYASKHZJTABA-NXHRZFHOSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354486 762504812 /nfs/dbraw/zinc/50/48/12/762504812.db2.gz QLSTXBLLWILVFD-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354486 762504815 /nfs/dbraw/zinc/50/48/15/762504815.db2.gz QLSTXBLLWILVFD-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354486 762504819 /nfs/dbraw/zinc/50/48/19/762504819.db2.gz QLSTXBLLWILVFD-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001082852113 756936804 /nfs/dbraw/zinc/93/68/04/756936804.db2.gz UMEUXWIKQJLMAR-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001075401 762526733 /nfs/dbraw/zinc/52/67/33/762526733.db2.gz IBKWKWCSWMAWOO-MRXNPFEDSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075401 762526741 /nfs/dbraw/zinc/52/67/41/762526741.db2.gz IBKWKWCSWMAWOO-MRXNPFEDSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075401 762526748 /nfs/dbraw/zinc/52/67/48/762526748.db2.gz IBKWKWCSWMAWOO-MRXNPFEDSA-N 2 1 307.438 1.030 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016669205 757252622 /nfs/dbraw/zinc/25/26/22/757252622.db2.gz FXWMVJKTWYXRBY-HOTGVXAUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016669205 757252630 /nfs/dbraw/zinc/25/26/30/757252630.db2.gz FXWMVJKTWYXRBY-HOTGVXAUSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580202 757258681 /nfs/dbraw/zinc/25/86/81/757258681.db2.gz VGQKOVGNHIDLQA-WCXIOVBPSA-N 2 1 303.450 1.768 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819013 757821342 /nfs/dbraw/zinc/82/13/42/757821342.db2.gz BRCYKHQYUPGOGP-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958057 758098496 /nfs/dbraw/zinc/09/84/96/758098496.db2.gz JKDWWCWQCZXKIW-HYVNUMGLSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C[C@@H]21 ZINC001084975733 758114734 /nfs/dbraw/zinc/11/47/34/758114734.db2.gz QMRGRHYMESAPQH-PMPSAXMXSA-N 2 1 312.417 1.002 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001017695502 758159481 /nfs/dbraw/zinc/15/94/81/758159481.db2.gz JSIMUVJZLPCLDO-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001017695502 758159483 /nfs/dbraw/zinc/15/94/83/758159483.db2.gz JSIMUVJZLPCLDO-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017695502 758159491 /nfs/dbraw/zinc/15/94/91/758159491.db2.gz JSIMUVJZLPCLDO-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001017695502 758159498 /nfs/dbraw/zinc/15/94/98/758159498.db2.gz JSIMUVJZLPCLDO-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085025354 758161130 /nfs/dbraw/zinc/16/11/30/758161130.db2.gz VQWBQCMSAHFKDI-IXDOHACOSA-N 2 1 305.466 1.519 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040700543 762653508 /nfs/dbraw/zinc/65/35/08/762653508.db2.gz NADHQQQLKUUARI-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822094 758850227 /nfs/dbraw/zinc/85/02/27/758850227.db2.gz GAXCKQFWVPPCQC-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054133357 759207789 /nfs/dbraw/zinc/20/77/89/759207789.db2.gz BABMBMHCGQESMC-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133357 759207798 /nfs/dbraw/zinc/20/77/98/759207798.db2.gz BABMBMHCGQESMC-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133357 759207803 /nfs/dbraw/zinc/20/78/03/759207803.db2.gz BABMBMHCGQESMC-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054228913 759319912 /nfs/dbraw/zinc/31/99/12/759319912.db2.gz DIYUGFXKIODGFN-SFHVURJKSA-N 2 1 315.461 1.420 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240164 759330132 /nfs/dbraw/zinc/33/01/32/759330132.db2.gz NTAADJAGDSMCNG-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054240164 759330139 /nfs/dbraw/zinc/33/01/39/759330139.db2.gz NTAADJAGDSMCNG-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001054240164 759330148 /nfs/dbraw/zinc/33/01/48/759330148.db2.gz NTAADJAGDSMCNG-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760498 767898683 /nfs/dbraw/zinc/89/86/83/767898683.db2.gz IMSGYQYHSCYIIG-GOSISDBHSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085638798 759908766 /nfs/dbraw/zinc/90/87/66/759908766.db2.gz AJUUQKYIEXYVAM-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085638798 759908771 /nfs/dbraw/zinc/90/87/71/759908771.db2.gz AJUUQKYIEXYVAM-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085638798 759908778 /nfs/dbraw/zinc/90/87/78/759908778.db2.gz AJUUQKYIEXYVAM-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781626 760216823 /nfs/dbraw/zinc/21/68/23/760216823.db2.gz ATBWJOXSCVHCDH-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781626 760216827 /nfs/dbraw/zinc/21/68/27/760216827.db2.gz ATBWJOXSCVHCDH-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781626 760216834 /nfs/dbraw/zinc/21/68/34/760216834.db2.gz ATBWJOXSCVHCDH-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917071 760526189 /nfs/dbraw/zinc/52/61/89/760526189.db2.gz PJXYIYFAZNVIGK-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085982498 760655077 /nfs/dbraw/zinc/65/50/77/760655077.db2.gz MAMCJJJYGZIELR-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085982498 760655079 /nfs/dbraw/zinc/65/50/79/760655079.db2.gz MAMCJJJYGZIELR-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982498 760655082 /nfs/dbraw/zinc/65/50/82/760655082.db2.gz MAMCJJJYGZIELR-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001085982498 760655084 /nfs/dbraw/zinc/65/50/84/760655084.db2.gz MAMCJJJYGZIELR-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC(C)C)CC1 ZINC001085984491 760663537 /nfs/dbraw/zinc/66/35/37/760663537.db2.gz FKQKRIPSGPWFPR-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001046850234 767982598 /nfs/dbraw/zinc/98/25/98/767982598.db2.gz PYRTWKPWOMHMDL-CRAIPNDOSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038903785 761528274 /nfs/dbraw/zinc/52/82/74/761528274.db2.gz DNFSGBUDAFEIGW-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001000240142 761594917 /nfs/dbraw/zinc/59/49/17/761594917.db2.gz FTTTWDZLQHTGPU-HOTGVXAUSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082566 761600743 /nfs/dbraw/zinc/60/07/43/761600743.db2.gz DTXODEGSLIXONV-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082566 761600749 /nfs/dbraw/zinc/60/07/49/761600749.db2.gz DTXODEGSLIXONV-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082566 761600752 /nfs/dbraw/zinc/60/07/52/761600752.db2.gz DTXODEGSLIXONV-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)C)CC1 ZINC001039042522 761682883 /nfs/dbraw/zinc/68/28/83/761682883.db2.gz SISAASUMKUDEDH-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001039116160 761753169 /nfs/dbraw/zinc/75/31/69/761753169.db2.gz MKTZUOGAIMLXOO-IAGOWNOFSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001039116160 761753172 /nfs/dbraw/zinc/75/31/72/761753172.db2.gz MKTZUOGAIMLXOO-IAGOWNOFSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039116160 761753176 /nfs/dbraw/zinc/75/31/76/761753176.db2.gz MKTZUOGAIMLXOO-IAGOWNOFSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039116160 761753178 /nfs/dbraw/zinc/75/31/78/761753178.db2.gz MKTZUOGAIMLXOO-IAGOWNOFSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159689 761786441 /nfs/dbraw/zinc/78/64/41/761786441.db2.gz VLEWGEQUWRYQQM-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041139393 762833599 /nfs/dbraw/zinc/83/35/99/762833599.db2.gz GESGOSBAJPSJCT-ZBFHGGJFSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041139393 762833606 /nfs/dbraw/zinc/83/36/06/762833606.db2.gz GESGOSBAJPSJCT-ZBFHGGJFSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041139393 762833611 /nfs/dbraw/zinc/83/36/11/762833611.db2.gz GESGOSBAJPSJCT-ZBFHGGJFSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041139393 762833618 /nfs/dbraw/zinc/83/36/18/762833618.db2.gz GESGOSBAJPSJCT-ZBFHGGJFSA-N 2 1 311.857 1.758 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001001471506 762892905 /nfs/dbraw/zinc/89/29/05/762892905.db2.gz JNKBUDKIWIYSOQ-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041441343 763033638 /nfs/dbraw/zinc/03/36/38/763033638.db2.gz WYHHWJQALNLLEX-QGZVFWFLSA-N 2 1 301.434 1.172 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624941 763184569 /nfs/dbraw/zinc/18/45/69/763184569.db2.gz FYTHEJRGZSIIAA-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828715 763381229 /nfs/dbraw/zinc/38/12/29/763381229.db2.gz GAXCAUCVLWGMNU-GOEBONIOSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041828715 763381237 /nfs/dbraw/zinc/38/12/37/763381237.db2.gz GAXCAUCVLWGMNU-GOEBONIOSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041828715 763381245 /nfs/dbraw/zinc/38/12/45/763381245.db2.gz GAXCAUCVLWGMNU-GOEBONIOSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041828715 763381252 /nfs/dbraw/zinc/38/12/52/763381252.db2.gz GAXCAUCVLWGMNU-GOEBONIOSA-N 2 1 311.857 1.615 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063200 763605604 /nfs/dbraw/zinc/60/56/04/763605604.db2.gz SAQZSFCMOUAIKL-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109410812 763668390 /nfs/dbraw/zinc/66/83/90/763668390.db2.gz WYBLFFMWRSDTGQ-IKGGRYGDSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517998 763695161 /nfs/dbraw/zinc/69/51/61/763695161.db2.gz PDMBGZKAVVUXKF-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565310 763824053 /nfs/dbraw/zinc/82/40/53/763824053.db2.gz JYXWSSWDIPAKEW-IKGGRYGDSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270976 763846075 /nfs/dbraw/zinc/84/60/75/763846075.db2.gz VGNSBEWLBOALCM-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270976 763846080 /nfs/dbraw/zinc/84/60/80/763846080.db2.gz VGNSBEWLBOALCM-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042287394 763863275 /nfs/dbraw/zinc/86/32/75/763863275.db2.gz ILRNNYBKILENRV-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314371 763905197 /nfs/dbraw/zinc/90/51/97/763905197.db2.gz OYENTVSSPUGYBJ-LSDHHAIUSA-N 2 1 323.868 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314371 763905200 /nfs/dbraw/zinc/90/52/00/763905200.db2.gz OYENTVSSPUGYBJ-LSDHHAIUSA-N 2 1 323.868 1.758 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714472 763969596 /nfs/dbraw/zinc/96/95/96/763969596.db2.gz LXBWTRDUIPYPIB-TWMKSMIVSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591751 765978726 /nfs/dbraw/zinc/97/87/26/765978726.db2.gz SEQFSBPSFXPHBG-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326765 767426345 /nfs/dbraw/zinc/42/63/45/767426345.db2.gz VCTOOTYUPPYECV-QGZVFWFLSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047409728 768458909 /nfs/dbraw/zinc/45/89/09/768458909.db2.gz XALYBPYZSLINIZ-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047409728 768458914 /nfs/dbraw/zinc/45/89/14/768458914.db2.gz XALYBPYZSLINIZ-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047409728 768458919 /nfs/dbraw/zinc/45/89/19/768458919.db2.gz XALYBPYZSLINIZ-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132425893 768840174 /nfs/dbraw/zinc/84/01/74/768840174.db2.gz OLLZNGBWNARRQX-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820120 769942205 /nfs/dbraw/zinc/94/22/05/769942205.db2.gz CZFVACYWASRVOD-IYBDPMFKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071768786 770035870 /nfs/dbraw/zinc/03/58/70/770035870.db2.gz CRFPTYBBVHYSTQ-ZBFHGGJFSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071768786 770035884 /nfs/dbraw/zinc/03/58/84/770035884.db2.gz CRFPTYBBVHYSTQ-ZBFHGGJFSA-N 2 1 317.433 1.947 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001133834517 770321225 /nfs/dbraw/zinc/32/12/25/770321225.db2.gz ZPAWXJSBANTZCU-CYBMUJFWSA-N 2 1 318.396 1.387 20 30 DDEDMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133865742 770382344 /nfs/dbraw/zinc/38/23/44/770382344.db2.gz FZCXIIZOQSGQBG-LRDDRELGSA-N 2 1 318.396 1.101 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133865742 770382353 /nfs/dbraw/zinc/38/23/53/770382353.db2.gz FZCXIIZOQSGQBG-LRDDRELGSA-N 2 1 318.396 1.101 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049485380 770917952 /nfs/dbraw/zinc/91/79/52/770917952.db2.gz MXXVFHKUYWMQSN-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049485380 770917963 /nfs/dbraw/zinc/91/79/63/770917963.db2.gz MXXVFHKUYWMQSN-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049485380 770917970 /nfs/dbraw/zinc/91/79/70/770917970.db2.gz MXXVFHKUYWMQSN-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049514377 770959201 /nfs/dbraw/zinc/95/92/01/770959201.db2.gz DFVQPAMQBBCYGO-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049514377 770959204 /nfs/dbraw/zinc/95/92/04/770959204.db2.gz DFVQPAMQBBCYGO-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049514377 770959207 /nfs/dbraw/zinc/95/92/07/770959207.db2.gz DFVQPAMQBBCYGO-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049611430 771017349 /nfs/dbraw/zinc/01/73/49/771017349.db2.gz GIXUXZASBWCCQM-KSZLIROESA-N 2 1 315.461 1.559 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134611806 771078066 /nfs/dbraw/zinc/07/80/66/771078066.db2.gz CENVDQWJEGJCBK-CABCVRRESA-N 2 1 311.470 1.546 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678682 771646173 /nfs/dbraw/zinc/64/61/73/771646173.db2.gz HLZFLKJHSRDPNJ-HUUCEWRRSA-N 2 1 304.438 1.868 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627038 773235288 /nfs/dbraw/zinc/23/52/88/773235288.db2.gz AMFKNGBYCFICRD-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627038 773235295 /nfs/dbraw/zinc/23/52/95/773235295.db2.gz AMFKNGBYCFICRD-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627038 773235301 /nfs/dbraw/zinc/23/53/01/773235301.db2.gz AMFKNGBYCFICRD-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001147886559 773270907 /nfs/dbraw/zinc/27/09/07/773270907.db2.gz XRFICDHJLMLCCD-AWEZNQCLSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001073740187 773362070 /nfs/dbraw/zinc/36/20/70/773362070.db2.gz BXHTXGWWHHEZMJ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001073740187 773362077 /nfs/dbraw/zinc/36/20/77/773362077.db2.gz BXHTXGWWHHEZMJ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001073740187 773362085 /nfs/dbraw/zinc/36/20/85/773362085.db2.gz BXHTXGWWHHEZMJ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899015 773508980 /nfs/dbraw/zinc/50/89/80/773508980.db2.gz ISNGMPFBYUKPMF-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899015 773508987 /nfs/dbraw/zinc/50/89/87/773508987.db2.gz ISNGMPFBYUKPMF-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899015 773508988 /nfs/dbraw/zinc/50/89/88/773508988.db2.gz ISNGMPFBYUKPMF-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001086864441 773682372 /nfs/dbraw/zinc/68/23/72/773682372.db2.gz SAUZEPHUBHWBJV-JZXOWHBKSA-N 2 1 305.466 1.923 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036735580 774429239 /nfs/dbraw/zinc/42/92/39/774429239.db2.gz MSHDSWROXRBRSW-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036735135 774429282 /nfs/dbraw/zinc/42/92/82/774429282.db2.gz FAFZJYACOOPZCV-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736921 774429993 /nfs/dbraw/zinc/42/99/93/774429993.db2.gz JFHWUPDCWCAYIC-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479168 774590700 /nfs/dbraw/zinc/59/07/00/774590700.db2.gz VBHUYNJCLIELCG-NVXWUHKLSA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479168 774590704 /nfs/dbraw/zinc/59/07/04/774590704.db2.gz VBHUYNJCLIELCG-NVXWUHKLSA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479168 774590707 /nfs/dbraw/zinc/59/07/07/774590707.db2.gz VBHUYNJCLIELCG-NVXWUHKLSA-N 2 1 323.481 1.046 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467328 774866807 /nfs/dbraw/zinc/86/68/07/774866807.db2.gz FKYRXWYPEJNGEX-WCXIOVBPSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467328 774866814 /nfs/dbraw/zinc/86/68/14/774866814.db2.gz FKYRXWYPEJNGEX-WCXIOVBPSA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099353993 774958928 /nfs/dbraw/zinc/95/89/28/774958928.db2.gz LESFIYBTUMPUNB-MRXNPFEDSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099353993 774958933 /nfs/dbraw/zinc/95/89/33/774958933.db2.gz LESFIYBTUMPUNB-MRXNPFEDSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099353993 774958935 /nfs/dbraw/zinc/95/89/35/774958935.db2.gz LESFIYBTUMPUNB-MRXNPFEDSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100023989 775585632 /nfs/dbraw/zinc/58/56/32/775585632.db2.gz CCYYTVARKXYDIQ-DLBZAZTESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446559 775884441 /nfs/dbraw/zinc/88/44/41/775884441.db2.gz FINTZBOVKWXDCQ-YFHUEUNASA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446559 775884449 /nfs/dbraw/zinc/88/44/49/775884449.db2.gz FINTZBOVKWXDCQ-YFHUEUNASA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446559 775884462 /nfs/dbraw/zinc/88/44/62/775884462.db2.gz FINTZBOVKWXDCQ-YFHUEUNASA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446559 775884470 /nfs/dbraw/zinc/88/44/70/775884470.db2.gz FINTZBOVKWXDCQ-YFHUEUNASA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343414 776027484 /nfs/dbraw/zinc/02/74/84/776027484.db2.gz FSVNBAHRVGTABQ-PRLABOORSA-N 2 1 309.454 1.014 20 30 DDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172298986 776761188 /nfs/dbraw/zinc/76/11/88/776761188.db2.gz FKJZSDFUKDMOLH-OAHLLOKOSA-N 2 1 314.433 1.243 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101435186 777137491 /nfs/dbraw/zinc/13/74/91/777137491.db2.gz BODVGUYBXJNWLO-AEFFLSMTSA-N 2 1 305.466 1.522 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255837 777735676 /nfs/dbraw/zinc/73/56/76/777735676.db2.gz HNXNTGHLQTWSGK-DLBZAZTESA-N 2 1 323.481 1.385 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001175265208 777738329 /nfs/dbraw/zinc/73/83/29/777738329.db2.gz XZDIWJFQADHLGR-DLBZAZTESA-N 2 1 323.481 1.243 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060961 777844717 /nfs/dbraw/zinc/84/47/17/777844717.db2.gz ZNCJSFUUOWTICD-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102060961 777844728 /nfs/dbraw/zinc/84/47/28/777844728.db2.gz ZNCJSFUUOWTICD-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102060961 777844738 /nfs/dbraw/zinc/84/47/38/777844738.db2.gz ZNCJSFUUOWTICD-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185846 777918049 /nfs/dbraw/zinc/91/80/49/777918049.db2.gz WQLPRPZCFMVZSN-DJIMGWMZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177125019 778437779 /nfs/dbraw/zinc/43/77/79/778437779.db2.gz MKTXQEXMNUGESD-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177125019 778437786 /nfs/dbraw/zinc/43/77/86/778437786.db2.gz MKTXQEXMNUGESD-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177125019 778437790 /nfs/dbraw/zinc/43/77/90/778437790.db2.gz MKTXQEXMNUGESD-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177125019 778437796 /nfs/dbraw/zinc/43/77/96/778437796.db2.gz MKTXQEXMNUGESD-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994282 778539840 /nfs/dbraw/zinc/53/98/40/778539840.db2.gz VJGHSXRTFCXTQD-NXHRZFHOSA-N 2 1 319.493 1.979 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103148317 778667119 /nfs/dbraw/zinc/66/71/19/778667119.db2.gz WQAUIXAMHVAGPM-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103148317 778667121 /nfs/dbraw/zinc/66/71/21/778667121.db2.gz WQAUIXAMHVAGPM-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103148317 778667124 /nfs/dbraw/zinc/66/71/24/778667124.db2.gz WQAUIXAMHVAGPM-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104215135 779377439 /nfs/dbraw/zinc/37/74/39/779377439.db2.gz ONTJYWBRFKLJOQ-ZJPYXAASSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115306325 780024795 /nfs/dbraw/zinc/02/47/95/780024795.db2.gz MQWQMVZEUFLLLL-HZMVEIRTSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001267181887 837485809 /nfs/dbraw/zinc/48/58/09/837485809.db2.gz PWLSIBPKHFVIAH-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001267181887 837485814 /nfs/dbraw/zinc/48/58/14/837485814.db2.gz PWLSIBPKHFVIAH-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CC#C)C(C)C ZINC001267273472 837717711 /nfs/dbraw/zinc/71/77/11/837717711.db2.gz KBYPQHPPEZUPMO-KRWDZBQOSA-N 2 1 303.450 1.324 20 30 DDEDMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CC#C)C(C)C ZINC001267273472 837717713 /nfs/dbraw/zinc/71/77/13/837717713.db2.gz KBYPQHPPEZUPMO-KRWDZBQOSA-N 2 1 303.450 1.324 20 30 DDEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C)C(C)C ZINC001267273472 837717718 /nfs/dbraw/zinc/71/77/18/837717718.db2.gz KBYPQHPPEZUPMO-KRWDZBQOSA-N 2 1 303.450 1.324 20 30 DDEDMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C)C(C)C ZINC001267273472 837717723 /nfs/dbraw/zinc/71/77/23/837717723.db2.gz KBYPQHPPEZUPMO-KRWDZBQOSA-N 2 1 303.450 1.324 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CC#Cc1ccccc1 ZINC001266362476 836175019 /nfs/dbraw/zinc/17/50/19/836175019.db2.gz JPWTVDXIFBBGLR-UHFFFAOYSA-N 2 1 301.434 1.426 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CC#Cc1ccccc1 ZINC001266362476 836175025 /nfs/dbraw/zinc/17/50/25/836175025.db2.gz JPWTVDXIFBBGLR-UHFFFAOYSA-N 2 1 301.434 1.426 20 30 DDEDMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CC#Cc1ccccc1 ZINC001266362476 836175031 /nfs/dbraw/zinc/17/50/31/836175031.db2.gz JPWTVDXIFBBGLR-UHFFFAOYSA-N 2 1 301.434 1.426 20 30 DDEDMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CC#Cc1ccccc1 ZINC001266362476 836175037 /nfs/dbraw/zinc/17/50/37/836175037.db2.gz JPWTVDXIFBBGLR-UHFFFAOYSA-N 2 1 301.434 1.426 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266619852 836548411 /nfs/dbraw/zinc/54/84/11/836548411.db2.gz COKQNYJALXEIJH-CKEIUWERSA-N 2 1 309.429 1.459 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267055178 837262037 /nfs/dbraw/zinc/26/20/37/837262037.db2.gz HIGSZEMFGGMLJS-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267820443 839028575 /nfs/dbraw/zinc/02/85/75/839028575.db2.gz QVRGJJFHUOKASS-YOEHRIQHSA-N 2 1 311.445 1.707 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267923398 839201205 /nfs/dbraw/zinc/20/12/05/839201205.db2.gz UOLBCZRHPDDLES-JYJNAYRXSA-N 2 1 309.454 1.300 20 30 DDEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC001267938465 839227889 /nfs/dbraw/zinc/22/78/89/839227889.db2.gz XFRGVRFCVQYPMT-UHFFFAOYSA-N 2 1 313.445 1.900 20 30 DDEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267945995 839238050 /nfs/dbraw/zinc/23/80/50/839238050.db2.gz FTSKPEZJAJSGOD-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCCC1 ZINC001268648298 840632524 /nfs/dbraw/zinc/63/25/24/840632524.db2.gz BPYXQCKSDYDZLG-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCCC1 ZINC001268648298 840632532 /nfs/dbraw/zinc/63/25/32/840632532.db2.gz BPYXQCKSDYDZLG-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001268920207 840989694 /nfs/dbraw/zinc/98/96/94/840989694.db2.gz KJGOZYQJRIQUOM-UHFFFAOYSA-N 2 1 315.461 1.818 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001269350244 841552625 /nfs/dbraw/zinc/55/26/25/841552625.db2.gz HAZNSOPZMBVIID-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001269350244 841552631 /nfs/dbraw/zinc/55/26/31/841552631.db2.gz HAZNSOPZMBVIID-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001270297046 842464196 /nfs/dbraw/zinc/46/41/96/842464196.db2.gz ZXPDFKDAVUXEEM-RDJZCZTQSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001270718490 842844474 /nfs/dbraw/zinc/84/44/74/842844474.db2.gz OSVFSNWQSJTIBX-WMZOPIPTSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCCCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001280413115 843758873 /nfs/dbraw/zinc/75/88/73/843758873.db2.gz WJRLFHAARYHNDC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1C ZINC001280413115 843758881 /nfs/dbraw/zinc/75/88/81/843758881.db2.gz WJRLFHAARYHNDC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001328810899 863245056 /nfs/dbraw/zinc/24/50/56/863245056.db2.gz ZIFPJDNIMPUYOY-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001328810899 863245066 /nfs/dbraw/zinc/24/50/66/863245066.db2.gz ZIFPJDNIMPUYOY-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001328810899 863245074 /nfs/dbraw/zinc/24/50/74/863245074.db2.gz ZIFPJDNIMPUYOY-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001328813204 863248176 /nfs/dbraw/zinc/24/81/76/863248176.db2.gz VBHXIHBUKWSRDC-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001328813204 863248186 /nfs/dbraw/zinc/24/81/86/863248186.db2.gz VBHXIHBUKWSRDC-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154903820 861553549 /nfs/dbraw/zinc/55/35/49/861553549.db2.gz GERQFBMZPIWERY-HIFRSBDPSA-N 2 1 302.422 1.214 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154903820 861553558 /nfs/dbraw/zinc/55/35/58/861553558.db2.gz GERQFBMZPIWERY-HIFRSBDPSA-N 2 1 302.422 1.214 20 30 DDEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001272503461 846231917 /nfs/dbraw/zinc/23/19/17/846231917.db2.gz DCOKEDCVFOLLKY-IRXDYDNUSA-N 2 1 323.481 1.426 20 30 DDEDMP C=CCCCCC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272699136 846651365 /nfs/dbraw/zinc/65/13/65/846651365.db2.gz AQLCBRFHMHHJQV-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001272829794 847519049 /nfs/dbraw/zinc/51/90/49/847519049.db2.gz LZUZLGLVLVSDSA-NVXWUHKLSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001005518929 848050086 /nfs/dbraw/zinc/05/00/86/848050086.db2.gz OJPQVJNUYMHUFO-KRWDZBQOSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001005518929 848050089 /nfs/dbraw/zinc/05/00/89/848050089.db2.gz OJPQVJNUYMHUFO-KRWDZBQOSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034287291 848258067 /nfs/dbraw/zinc/25/80/67/848258067.db2.gz GGKXVEAYHCDDJA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034287291 848258084 /nfs/dbraw/zinc/25/80/84/848258084.db2.gz GGKXVEAYHCDDJA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034287291 848258095 /nfs/dbraw/zinc/25/80/95/848258095.db2.gz GGKXVEAYHCDDJA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034287291 848258106 /nfs/dbraw/zinc/25/81/06/848258106.db2.gz GGKXVEAYHCDDJA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444518 848505394 /nfs/dbraw/zinc/50/53/94/848505394.db2.gz HTPOITAKRHXPLM-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143802 848557019 /nfs/dbraw/zinc/55/70/19/848557019.db2.gz LVITYBCZXCPOOU-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143802 848557029 /nfs/dbraw/zinc/55/70/29/848557029.db2.gz LVITYBCZXCPOOU-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273143802 848557041 /nfs/dbraw/zinc/55/70/41/848557041.db2.gz LVITYBCZXCPOOU-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273143802 848557045 /nfs/dbraw/zinc/55/70/45/848557045.db2.gz LVITYBCZXCPOOU-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001273183389 848648765 /nfs/dbraw/zinc/64/87/65/848648765.db2.gz KGDXENXPLZKPGF-INIZCTEOSA-N 2 1 324.428 1.728 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149861003 861948459 /nfs/dbraw/zinc/94/84/59/861948459.db2.gz LCCYPUKLYBAEFP-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149861003 861948471 /nfs/dbraw/zinc/94/84/71/861948471.db2.gz LCCYPUKLYBAEFP-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149861003 861948481 /nfs/dbraw/zinc/94/84/81/861948481.db2.gz LCCYPUKLYBAEFP-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021047 862032694 /nfs/dbraw/zinc/03/26/94/862032694.db2.gz FWIPKOPIHCPWND-SJORKVTESA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CC(=C)C)CC1 ZINC001327290521 862035331 /nfs/dbraw/zinc/03/53/31/862035331.db2.gz FITOQHYQRANWLV-UHFFFAOYSA-N 2 1 305.466 1.688 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001410958459 850020685 /nfs/dbraw/zinc/02/06/85/850020685.db2.gz PVXSHWNTWOXMJO-UONOGXRCSA-N 2 1 310.829 1.819 20 30 DDEDMP C=CCCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273495268 851029008 /nfs/dbraw/zinc/02/90/08/851029008.db2.gz SAEUTDMNLPIEQD-KRWDZBQOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417783 862231538 /nfs/dbraw/zinc/23/15/38/862231538.db2.gz RXBQKXIGGOYGJG-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc(C#N)ccc1F ZINC001275358158 853013895 /nfs/dbraw/zinc/01/38/95/853013895.db2.gz IYAUJWDPDDCUGY-ROUUACIJSA-N 2 1 316.424 1.908 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(C#N)ccc1F ZINC001275358158 853013905 /nfs/dbraw/zinc/01/39/05/853013905.db2.gz IYAUJWDPDDCUGY-ROUUACIJSA-N 2 1 316.424 1.908 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001206588139 855181158 /nfs/dbraw/zinc/18/11/58/855181158.db2.gz WNYNYLSVOFNTQF-UHFFFAOYSA-N 2 1 309.454 1.113 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277512 855406335 /nfs/dbraw/zinc/40/63/35/855406335.db2.gz VXVTWUNLWQMZSS-VQHPVUNQSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732495 857649084 /nfs/dbraw/zinc/64/90/84/857649084.db2.gz MMPMULCZRVYKSZ-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732495 857649086 /nfs/dbraw/zinc/64/90/86/857649086.db2.gz MMPMULCZRVYKSZ-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732495 857649090 /nfs/dbraw/zinc/64/90/90/857649090.db2.gz MMPMULCZRVYKSZ-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734832 857652893 /nfs/dbraw/zinc/65/28/93/857652893.db2.gz QOXYRAKSVDFQJL-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734832 857652897 /nfs/dbraw/zinc/65/28/97/857652897.db2.gz QOXYRAKSVDFQJL-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734832 857652900 /nfs/dbraw/zinc/65/29/00/857652900.db2.gz QOXYRAKSVDFQJL-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886387 857844626 /nfs/dbraw/zinc/84/46/26/857844626.db2.gz QGYGHDBHZKGXAI-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886387 857844628 /nfs/dbraw/zinc/84/46/28/857844628.db2.gz QGYGHDBHZKGXAI-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886387 857844630 /nfs/dbraw/zinc/84/46/30/857844630.db2.gz QGYGHDBHZKGXAI-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125739 858121087 /nfs/dbraw/zinc/12/10/87/858121087.db2.gz ICMGTBSTRULRRQ-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599552 858473391 /nfs/dbraw/zinc/47/33/91/858473391.db2.gz HMAUZIRBDNFZJD-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599552 858473396 /nfs/dbraw/zinc/47/33/96/858473396.db2.gz HMAUZIRBDNFZJD-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599552 858473401 /nfs/dbraw/zinc/47/34/01/858473401.db2.gz HMAUZIRBDNFZJD-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605127 858478756 /nfs/dbraw/zinc/47/87/56/858478756.db2.gz BGBGXHOPPFVTCG-IRXDYDNUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC001121904072 858628194 /nfs/dbraw/zinc/62/81/94/858628194.db2.gz QLYRFKCCUVDKQV-OAHLLOKOSA-N 2 1 313.405 1.876 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001325920256 860958197 /nfs/dbraw/zinc/95/81/97/860958197.db2.gz YLFLZOGWCIPRNX-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001325920256 860958210 /nfs/dbraw/zinc/95/82/10/860958210.db2.gz YLFLZOGWCIPRNX-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325920256 860958218 /nfs/dbraw/zinc/95/82/18/860958218.db2.gz YLFLZOGWCIPRNX-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCOCC)CC1 ZINC001157092056 863567150 /nfs/dbraw/zinc/56/71/50/863567150.db2.gz HXCSUONZMZRFOK-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001153425003 863883384 /nfs/dbraw/zinc/88/33/84/863883384.db2.gz VNGJLSCSTOPTIQ-OAHLLOKOSA-N 2 1 321.469 1.461 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001330529562 864432898 /nfs/dbraw/zinc/43/28/98/864432898.db2.gz UNFKGUZBZPIVAV-HDICACEKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001330598403 864477911 /nfs/dbraw/zinc/47/79/11/864477911.db2.gz BYIJGAVEXZZUSR-ULQDDVLXSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332389310 865808297 /nfs/dbraw/zinc/80/82/97/865808297.db2.gz YQATZDNFCIMMCE-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001324463259 867291903 /nfs/dbraw/zinc/29/19/03/867291903.db2.gz BUXSUPVXKIGCHY-HOTGVXAUSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001324463259 867291920 /nfs/dbraw/zinc/29/19/20/867291920.db2.gz BUXSUPVXKIGCHY-HOTGVXAUSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)(COC)CC1 ZINC001162585812 867661680 /nfs/dbraw/zinc/66/16/80/867661680.db2.gz TWDARTMNJWBIMW-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001325054011 867723138 /nfs/dbraw/zinc/72/31/38/867723138.db2.gz MALDKWQPJIHAHC-ZDUSSCGKSA-N 2 1 303.397 1.586 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325054011 867723144 /nfs/dbraw/zinc/72/31/44/867723144.db2.gz MALDKWQPJIHAHC-ZDUSSCGKSA-N 2 1 303.397 1.586 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325054011 867723153 /nfs/dbraw/zinc/72/31/53/867723153.db2.gz MALDKWQPJIHAHC-ZDUSSCGKSA-N 2 1 303.397 1.586 20 30 DDEDMP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001325450829 868041757 /nfs/dbraw/zinc/04/17/57/868041757.db2.gz SCUZOOBGTUHTNW-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC001336785477 869141309 /nfs/dbraw/zinc/14/13/09/869141309.db2.gz OIZDYZUDAIUXDO-INIZCTEOSA-N 2 1 322.474 1.703 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001165484288 869615039 /nfs/dbraw/zinc/61/50/39/869615039.db2.gz BYVYJCLERWSQRA-KRWDZBQOSA-N 2 1 317.477 1.903 20 30 DDEDMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001317008022 870113264 /nfs/dbraw/zinc/11/32/64/870113264.db2.gz UCNMZTIYVLKZMJ-HOTGVXAUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317049368 870164314 /nfs/dbraw/zinc/16/43/14/870164314.db2.gz QRTGBBQDWKIGJH-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317049368 870164320 /nfs/dbraw/zinc/16/43/20/870164320.db2.gz QRTGBBQDWKIGJH-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317049368 870164327 /nfs/dbraw/zinc/16/43/27/870164327.db2.gz QRTGBBQDWKIGJH-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317049368 870164336 /nfs/dbraw/zinc/16/43/36/870164336.db2.gz QRTGBBQDWKIGJH-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001340029681 870848027 /nfs/dbraw/zinc/84/80/27/870848027.db2.gz NJVQVINRGUWPSC-BHYGNILZSA-N 2 1 320.481 1.666 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001340089932 870888338 /nfs/dbraw/zinc/88/83/38/870888338.db2.gz HTKJEEXLAGLTBJ-JYJNAYRXSA-N 2 1 309.454 1.430 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001317509209 870952700 /nfs/dbraw/zinc/95/27/00/870952700.db2.gz OTPILNFMYDCNDV-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317812251 871535151 /nfs/dbraw/zinc/53/51/51/871535151.db2.gz WUKKROBOQPKCLF-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317812251 871535165 /nfs/dbraw/zinc/53/51/65/871535165.db2.gz WUKKROBOQPKCLF-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317812251 871535179 /nfs/dbraw/zinc/53/51/79/871535179.db2.gz WUKKROBOQPKCLF-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001317812251 871535197 /nfs/dbraw/zinc/53/51/97/871535197.db2.gz WUKKROBOQPKCLF-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001226614553 882538948 /nfs/dbraw/zinc/53/89/48/882538948.db2.gz PNYGMKFXNGUWSQ-ZACQAIPSSA-N 2 1 305.466 1.901 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001316771921 871886131 /nfs/dbraw/zinc/88/61/31/871886131.db2.gz AZMSNRIJSQAZOG-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316858089 872174431 /nfs/dbraw/zinc/17/44/31/872174431.db2.gz BHBRARIXPPICIB-IAGOWNOFSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206282529 872184076 /nfs/dbraw/zinc/18/40/76/872184076.db2.gz UVKQUNUFYRAEDI-WBVHZDCISA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001319310624 872561644 /nfs/dbraw/zinc/56/16/44/872561644.db2.gz QUOYCRDHOROPMP-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001319310624 872561650 /nfs/dbraw/zinc/56/16/50/872561650.db2.gz QUOYCRDHOROPMP-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001319310624 872561656 /nfs/dbraw/zinc/56/16/56/872561656.db2.gz QUOYCRDHOROPMP-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP CC[N@@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001361996141 882786525 /nfs/dbraw/zinc/78/65/25/882786525.db2.gz QLLJUULEPBEVOG-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP CC[N@H+]1CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001361996141 882786542 /nfs/dbraw/zinc/78/65/42/882786542.db2.gz QLLJUULEPBEVOG-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209951398 875175793 /nfs/dbraw/zinc/17/57/93/875175793.db2.gz KSRAHVVJACDGBM-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210788310 875535382 /nfs/dbraw/zinc/53/53/82/875535382.db2.gz AUTGCPDORSKTBD-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211256720 875730727 /nfs/dbraw/zinc/73/07/27/875730727.db2.gz MBWSVJFHACJDQC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214850421 876482701 /nfs/dbraw/zinc/48/27/01/876482701.db2.gz VPIMLQGQVYCZRM-IXDOHACOSA-N 2 1 305.466 1.424 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550812 877558680 /nfs/dbraw/zinc/55/86/80/877558680.db2.gz ORFAEITYIDZOSN-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP N#Cc1c2c(sc1NC(=O)[C@H]([NH3+])c1cccnc1)C[NH2+]CC2 ZINC001218551404 877560696 /nfs/dbraw/zinc/56/06/96/877560696.db2.gz NENSVCCVCRDZOY-CYBMUJFWSA-N 2 1 313.386 1.299 20 30 DDEDMP C#CC[NH2+]CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001353821242 877589867 /nfs/dbraw/zinc/58/98/67/877589867.db2.gz UARYKWSIBYQEIY-FUHWJXTLSA-N 2 1 313.445 1.626 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219031996 877879422 /nfs/dbraw/zinc/87/94/22/877879422.db2.gz MAXSJLSGHAEGJK-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096762 879495521 /nfs/dbraw/zinc/49/55/21/879495521.db2.gz ZQHKOJGJVDGBAR-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096762 879495529 /nfs/dbraw/zinc/49/55/29/879495529.db2.gz ZQHKOJGJVDGBAR-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222022621 880186829 /nfs/dbraw/zinc/18/68/29/880186829.db2.gz RSGINYXLJLNEGO-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001380973406 880780031 /nfs/dbraw/zinc/78/00/31/880780031.db2.gz WTIMDXMUEJHLBI-UHFFFAOYSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001380973406 880780038 /nfs/dbraw/zinc/78/00/38/880780038.db2.gz WTIMDXMUEJHLBI-UHFFFAOYSA-N 2 1 301.862 1.861 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829796 884932926 /nfs/dbraw/zinc/93/29/26/884932926.db2.gz OOBNKBMAKSDFQH-UHFFFAOYSA-N 2 1 318.465 1.918 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001277655627 886340110 /nfs/dbraw/zinc/34/01/10/886340110.db2.gz QQFJZTDFKHUCOK-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001278493860 893383780 /nfs/dbraw/zinc/38/37/80/893383780.db2.gz MLFBACIBZPPSSF-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001278521114 894056507 /nfs/dbraw/zinc/05/65/07/894056507.db2.gz LPEWZYGCGYRXSW-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001278521114 894056520 /nfs/dbraw/zinc/05/65/20/894056520.db2.gz LPEWZYGCGYRXSW-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP C=CCN1CC[C@@]2(CCCN([C@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254517171 896474726 /nfs/dbraw/zinc/47/47/26/896474726.db2.gz FGXDAEQTNAYQQV-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[NH+]1C ZINC001367788509 897795063 /nfs/dbraw/zinc/79/50/63/897795063.db2.gz OJIMPHLWPUSSOH-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367788509 897795073 /nfs/dbraw/zinc/79/50/73/897795073.db2.gz OJIMPHLWPUSSOH-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367788509 897795082 /nfs/dbraw/zinc/79/50/82/897795082.db2.gz OJIMPHLWPUSSOH-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001390733416 900042910 /nfs/dbraw/zinc/04/29/10/900042910.db2.gz PFEIAJVCAGQOFX-HNNXBMFYSA-N 2 1 316.449 1.883 20 30 DDEDMP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC001263065513 900478527 /nfs/dbraw/zinc/47/85/27/900478527.db2.gz HKTQTCRAHMXZGX-MRXNPFEDSA-N 2 1 313.445 1.758 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001263836955 900752143 /nfs/dbraw/zinc/75/21/43/900752143.db2.gz PZUDIMHDCUZZGM-IXDOHACOSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001263905225 900810572 /nfs/dbraw/zinc/81/05/72/900810572.db2.gz QLNHOODQDNYWDM-BBWFWOEESA-N 2 1 305.466 1.759 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001264621308 901218418 /nfs/dbraw/zinc/21/84/18/901218418.db2.gz QQWWXJYUNFFAST-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001265647080 902248622 /nfs/dbraw/zinc/24/86/22/902248622.db2.gz KKDGLBKMZZINAY-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001266142827 903010830 /nfs/dbraw/zinc/01/08/30/903010830.db2.gz IHFXZNIDTOZLOG-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001266142827 903010846 /nfs/dbraw/zinc/01/08/46/903010846.db2.gz IHFXZNIDTOZLOG-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001266142827 903010862 /nfs/dbraw/zinc/01/08/62/903010862.db2.gz IHFXZNIDTOZLOG-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CO2 ZINC001280970164 904255688 /nfs/dbraw/zinc/25/56/88/904255688.db2.gz XPBLFPJLRPEKPN-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001281682279 905157043 /nfs/dbraw/zinc/15/70/43/905157043.db2.gz HRZNIBLWCZKEJJ-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001281783982 905215235 /nfs/dbraw/zinc/21/52/35/905215235.db2.gz MEXNVZSTMPFPNO-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001392930038 905723297 /nfs/dbraw/zinc/72/32/97/905723297.db2.gz NYLYVEPLPDPKHB-UHFFFAOYSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCOCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282677719 905941484 /nfs/dbraw/zinc/94/14/84/905941484.db2.gz FTUZOUIXXFRLGR-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282677719 905941497 /nfs/dbraw/zinc/94/14/97/905941497.db2.gz FTUZOUIXXFRLGR-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001282677719 905941513 /nfs/dbraw/zinc/94/15/13/905941513.db2.gz FTUZOUIXXFRLGR-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001284818615 909522646 /nfs/dbraw/zinc/52/26/46/909522646.db2.gz JATRUHFLNWALMD-ABHNRTSZSA-N 2 1 313.445 1.892 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001394745666 910451030 /nfs/dbraw/zinc/45/10/30/910451030.db2.gz PKZPWBWCXSEAAH-KGLIPLIRSA-N 2 1 317.861 1.022 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001376838812 919543105 /nfs/dbraw/zinc/54/31/05/919543105.db2.gz HYQPQLPUWPXBTL-CYBMUJFWSA-N 2 1 320.412 1.633 20 30 DDEDMP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000330291694 529810612 /nfs/dbraw/zinc/81/06/12/529810612.db2.gz GSGGTBNGGFFIIY-YOEHRIQHSA-N 2 1 317.437 1.387 20 30 DDEDMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000330291694 529810613 /nfs/dbraw/zinc/81/06/13/529810613.db2.gz GSGGTBNGGFFIIY-YOEHRIQHSA-N 2 1 317.437 1.387 20 30 DDEDMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072857872 353222342 /nfs/dbraw/zinc/22/23/42/353222342.db2.gz ZTMNHBHJBJLHAJ-SJORKVTESA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072857872 353222343 /nfs/dbraw/zinc/22/23/43/353222343.db2.gz ZTMNHBHJBJLHAJ-SJORKVTESA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072857872 353222348 /nfs/dbraw/zinc/22/23/48/353222348.db2.gz ZTMNHBHJBJLHAJ-SJORKVTESA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072857872 353222349 /nfs/dbraw/zinc/22/23/49/353222349.db2.gz ZTMNHBHJBJLHAJ-SJORKVTESA-N 2 1 317.433 1.572 20 30 DDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736210 355981287 /nfs/dbraw/zinc/98/12/87/355981287.db2.gz JOQIRRIATNHRNQ-USXIJHARSA-N 2 1 300.406 1.672 20 30 DDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736210 355981288 /nfs/dbraw/zinc/98/12/88/355981288.db2.gz JOQIRRIATNHRNQ-USXIJHARSA-N 2 1 300.406 1.672 20 30 DDEDMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C2(CCCCC2)C1 ZINC000594437709 356214026 /nfs/dbraw/zinc/21/40/26/356214026.db2.gz DLHARAIIYNHOHB-OAHLLOKOSA-N 2 1 306.454 1.875 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594446968 356219724 /nfs/dbraw/zinc/21/97/24/356219724.db2.gz BUXDSBIOUMTKNU-XQLPTFJDSA-N 2 1 310.442 1.012 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594446968 356219728 /nfs/dbraw/zinc/21/97/28/356219728.db2.gz BUXDSBIOUMTKNU-XQLPTFJDSA-N 2 1 310.442 1.012 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000597943075 357392466 /nfs/dbraw/zinc/39/24/66/357392466.db2.gz TVCVRWVJAULXMN-YJBOKZPZSA-N 2 1 320.481 1.849 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000597943075 357392468 /nfs/dbraw/zinc/39/24/68/357392468.db2.gz TVCVRWVJAULXMN-YJBOKZPZSA-N 2 1 320.481 1.849 20 30 DDEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@H](C)C1 ZINC000610812872 360543350 /nfs/dbraw/zinc/54/33/50/360543350.db2.gz NNOFOEDOJUSCTC-SJLPKXTDSA-N 2 1 322.497 1.701 20 30 DDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C1 ZINC000612099262 360918836 /nfs/dbraw/zinc/91/88/36/360918836.db2.gz ZBROVRIFYIPORN-IBGZPJMESA-N 2 1 312.461 1.964 20 30 DDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(CC#N)cc3)CC2)C1 ZINC000612099262 360918837 /nfs/dbraw/zinc/91/88/37/360918837.db2.gz ZBROVRIFYIPORN-IBGZPJMESA-N 2 1 312.461 1.964 20 30 DDEDMP C[C@@H]1C[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344157657 223331799 /nfs/dbraw/zinc/33/17/99/223331799.db2.gz WCPQLZYPXYKWOE-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1C[C@H](CO)CC[N@H+]1CC#CC[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000344157657 223331802 /nfs/dbraw/zinc/33/18/02/223331802.db2.gz WCPQLZYPXYKWOE-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC#CC[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000344157657 223331803 /nfs/dbraw/zinc/33/18/03/223331803.db2.gz WCPQLZYPXYKWOE-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000113515121 407511475 /nfs/dbraw/zinc/51/14/75/407511475.db2.gz KYPFUCQSLPRTAY-GFCCVEGCSA-N 2 1 306.435 1.832 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000113515121 407511479 /nfs/dbraw/zinc/51/14/79/407511479.db2.gz KYPFUCQSLPRTAY-GFCCVEGCSA-N 2 1 306.435 1.832 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)cc(OC)c1 ZINC000130643965 407702541 /nfs/dbraw/zinc/70/25/41/407702541.db2.gz YSVIMGQQQBWREX-OAHLLOKOSA-N 2 1 304.438 1.892 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CCOCC)CC2)CC1 ZINC000171907799 407794182 /nfs/dbraw/zinc/79/41/82/407794182.db2.gz ZLRDJPXXOKRPJZ-UHFFFAOYSA-N 2 1 324.469 1.001 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272792957 408012986 /nfs/dbraw/zinc/01/29/86/408012986.db2.gz CLOFQEWFEFLDCH-CZUORRHYSA-N 2 1 304.438 1.456 20 30 DDEDMP CC[NH+]=C(NCc1cnn(C)c1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158473894 408343181 /nfs/dbraw/zinc/34/31/81/408343181.db2.gz LACVUIUSPWHVNJ-ZFWWWQNUSA-N 2 1 306.458 1.204 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(F)cc1 ZINC000278263163 409078066 /nfs/dbraw/zinc/07/80/66/409078066.db2.gz NSSWMDGEOUYQRM-HUUCEWRRSA-N 2 1 308.401 1.248 20 30 DDEDMP CN1CCC(CNC(=[NH2+])NC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000304792241 409644087 /nfs/dbraw/zinc/64/40/87/409644087.db2.gz LBFKVNBYBNTLKU-UHFFFAOYSA-N 2 1 309.502 1.640 20 30 DDEDMP CC(C)(O)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328935846 410012103 /nfs/dbraw/zinc/01/21/03/410012103.db2.gz FTEUFBONQOHIHL-OAHLLOKOSA-N 2 1 309.454 1.805 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261995340 222268025 /nfs/dbraw/zinc/26/80/25/222268025.db2.gz SGDKKXIYDXSCRO-LSDHHAIUSA-N 2 1 317.437 1.062 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000264128230 222322504 /nfs/dbraw/zinc/32/25/04/222322504.db2.gz WYZNUPGZSMVLOH-ZDUSSCGKSA-N 2 1 306.410 1.202 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@@]2(CCOC2)C1 ZINC000262012183 222269259 /nfs/dbraw/zinc/26/92/59/222269259.db2.gz WULAPLAKQFCZEE-GOSISDBHSA-N 2 1 322.497 1.939 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262499818 222284351 /nfs/dbraw/zinc/28/43/51/222284351.db2.gz XWJANUHNHKUSEX-INIZCTEOSA-N 3 1 318.469 1.327 20 30 DDEDMP Cc1nc(C[NH+]2CCC(CNC3=[NH+]CCN3C)CC2)oc1C ZINC000262649521 222287853 /nfs/dbraw/zinc/28/78/53/222287853.db2.gz KARPMGQOYSAZJL-UHFFFAOYSA-N 2 1 305.426 1.394 20 30 DDEDMP C[NH+]=C(NCCC1=CCCCC1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000262913671 222298942 /nfs/dbraw/zinc/29/89/42/222298942.db2.gz SSZIFJLHTURPEF-INIZCTEOSA-N 2 1 307.486 1.288 20 30 DDEDMP CC(C)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264110581 222320051 /nfs/dbraw/zinc/32/00/51/222320051.db2.gz QRWGLZHTHSLXJZ-UHFFFAOYSA-N 2 1 318.465 1.937 20 30 DDEDMP Cc1ccc([C@@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267417796 222384592 /nfs/dbraw/zinc/38/45/92/222384592.db2.gz JOZWINYHGVVSHM-INIZCTEOSA-N 2 1 318.465 1.725 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn2c(cccc2C)n1 ZINC000267413061 222384795 /nfs/dbraw/zinc/38/47/95/222384795.db2.gz IUTCCPDANUTING-HNNXBMFYSA-N 2 1 314.437 1.531 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](CO)c1ccccc1 ZINC000267421354 222385222 /nfs/dbraw/zinc/38/52/22/222385222.db2.gz KTJGAUKWCATMIA-CVEARBPZSA-N 2 1 304.438 1.151 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976017 423151347 /nfs/dbraw/zinc/15/13/47/423151347.db2.gz IVLFDGXAYMCAEL-DLBZAZTESA-N 2 1 305.466 1.899 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000421328104 419570164 /nfs/dbraw/zinc/57/01/64/419570164.db2.gz RUMQWGPFAPWLIT-HNNXBMFYSA-N 2 1 318.396 1.374 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000421328104 419570170 /nfs/dbraw/zinc/57/01/70/419570170.db2.gz RUMQWGPFAPWLIT-HNNXBMFYSA-N 2 1 318.396 1.374 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424142691 420312392 /nfs/dbraw/zinc/31/23/92/420312392.db2.gz ISZSQAZOCQYPGN-JYJNAYRXSA-N 2 1 324.469 1.261 20 30 DDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398653 267051550 /nfs/dbraw/zinc/05/15/50/267051550.db2.gz UVWSZTBDEDAVOO-DOTOQJQBSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398653 267051554 /nfs/dbraw/zinc/05/15/54/267051554.db2.gz UVWSZTBDEDAVOO-DOTOQJQBSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398653 267051559 /nfs/dbraw/zinc/05/15/59/267051559.db2.gz UVWSZTBDEDAVOO-DOTOQJQBSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398653 267051562 /nfs/dbraw/zinc/05/15/62/267051562.db2.gz UVWSZTBDEDAVOO-DOTOQJQBSA-N 2 1 317.433 1.572 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000458339541 526427521 /nfs/dbraw/zinc/42/75/21/526427521.db2.gz SPAYQSUFUMKSME-HNNXBMFYSA-N 2 1 320.481 1.763 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000341663905 526593790 /nfs/dbraw/zinc/59/37/90/526593790.db2.gz IORRMIXQJCUWII-WMLDXEAASA-N 2 1 320.481 1.809 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000491119105 526987318 /nfs/dbraw/zinc/98/73/18/526987318.db2.gz HCKFWKBXYHNJBX-WMZOPIPTSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974769754 695730652 /nfs/dbraw/zinc/73/06/52/695730652.db2.gz ANXRFXDHJUZZMW-MRXNPFEDSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862353 695749344 /nfs/dbraw/zinc/74/93/44/695749344.db2.gz JTQGJTFDTYNQGS-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877853 695751796 /nfs/dbraw/zinc/75/17/96/695751796.db2.gz UMADZKDIGIPEOR-HZPDHXFCSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877853 695751798 /nfs/dbraw/zinc/75/17/98/695751798.db2.gz UMADZKDIGIPEOR-HZPDHXFCSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974946307 695764108 /nfs/dbraw/zinc/76/41/08/695764108.db2.gz MEYSYWLIZQVXIA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946307 695764110 /nfs/dbraw/zinc/76/41/10/695764110.db2.gz MEYSYWLIZQVXIA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946307 695764113 /nfs/dbraw/zinc/76/41/13/695764113.db2.gz MEYSYWLIZQVXIA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978226840 696345647 /nfs/dbraw/zinc/34/56/47/696345647.db2.gz DLPOMWQYVSWIRS-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978226840 696345649 /nfs/dbraw/zinc/34/56/49/696345649.db2.gz DLPOMWQYVSWIRS-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978226840 696345652 /nfs/dbraw/zinc/34/56/52/696345652.db2.gz DLPOMWQYVSWIRS-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978614942 696424090 /nfs/dbraw/zinc/42/40/90/696424090.db2.gz LNLFSPWWEFZVEW-XLAORIBOSA-N 2 1 317.477 1.426 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978614942 696424092 /nfs/dbraw/zinc/42/40/92/696424092.db2.gz LNLFSPWWEFZVEW-XLAORIBOSA-N 2 1 317.477 1.426 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978614942 696424095 /nfs/dbraw/zinc/42/40/95/696424095.db2.gz LNLFSPWWEFZVEW-XLAORIBOSA-N 2 1 317.477 1.426 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820028 696930320 /nfs/dbraw/zinc/93/03/20/696930320.db2.gz HKURRPKXGDJZRX-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820028 696930322 /nfs/dbraw/zinc/93/03/22/696930322.db2.gz HKURRPKXGDJZRX-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820028 696930323 /nfs/dbraw/zinc/93/03/23/696930323.db2.gz HKURRPKXGDJZRX-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820028 696930325 /nfs/dbraw/zinc/93/03/25/696930325.db2.gz HKURRPKXGDJZRX-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893978 696959547 /nfs/dbraw/zinc/95/95/47/696959547.db2.gz UUXLUWBDGBXPGP-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893978 696959550 /nfs/dbraw/zinc/95/95/50/696959550.db2.gz UUXLUWBDGBXPGP-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC[C@H](C)F)CC1 ZINC000981365900 697076992 /nfs/dbraw/zinc/07/69/92/697076992.db2.gz ZNIRAZZVCQJCHK-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC[C@H](C)F)CC1 ZINC000981365900 697076993 /nfs/dbraw/zinc/07/69/93/697076993.db2.gz ZNIRAZZVCQJCHK-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC[C@H](C)F)CC1 ZINC000981365900 697076994 /nfs/dbraw/zinc/07/69/94/697076994.db2.gz ZNIRAZZVCQJCHK-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC[C@H](C)F)CC1 ZINC000981365900 697076995 /nfs/dbraw/zinc/07/69/95/697076995.db2.gz ZNIRAZZVCQJCHK-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000985795536 697575049 /nfs/dbraw/zinc/57/50/49/697575049.db2.gz ASAMFMDPAUEZPT-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000985795536 697575050 /nfs/dbraw/zinc/57/50/50/697575050.db2.gz ASAMFMDPAUEZPT-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000985795536 697575051 /nfs/dbraw/zinc/57/50/51/697575051.db2.gz ASAMFMDPAUEZPT-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000985795536 697575052 /nfs/dbraw/zinc/57/50/52/697575052.db2.gz ASAMFMDPAUEZPT-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)=[NH+]C ZINC000261613211 698428833 /nfs/dbraw/zinc/42/88/33/698428833.db2.gz GFCLPNIRWJESTH-QKPAOTATSA-N 2 1 320.481 1.593 20 30 DDEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])NCCc2ccccc2)C[C@H](C)O1 ZINC000303783114 698606764 /nfs/dbraw/zinc/60/67/64/698606764.db2.gz NXGJHQJWRMUDNJ-IYBDPMFKSA-N 2 1 318.465 1.633 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000303891862 698610007 /nfs/dbraw/zinc/61/00/07/698610007.db2.gz QYMBUMGTZXNCAT-NUJGCVRESA-N 3 1 323.529 1.886 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483345 698639449 /nfs/dbraw/zinc/63/94/49/698639449.db2.gz SUMKINCVUBMYRK-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483345 698639452 /nfs/dbraw/zinc/63/94/52/698639452.db2.gz SUMKINCVUBMYRK-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000305769746 698654800 /nfs/dbraw/zinc/65/48/00/698654800.db2.gz JIPAVGSQEACVTM-GOEBONIOSA-N 2 1 303.406 1.696 20 30 DDEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CCCCC1 ZINC000305813376 698657679 /nfs/dbraw/zinc/65/76/79/698657679.db2.gz KSZKQCAFLTZACI-QGZVFWFLSA-N 2 1 316.449 1.554 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000845592554 703179356 /nfs/dbraw/zinc/17/93/56/703179356.db2.gz NODAOOCKLLULIC-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C[C@H](C)ONC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000845631109 703184503 /nfs/dbraw/zinc/18/45/03/703184503.db2.gz PFGODRATHIVSIC-LSDHHAIUSA-N 2 1 312.458 1.550 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982019 704042014 /nfs/dbraw/zinc/04/20/14/704042014.db2.gz CEWAMVMENIYGJX-GOSISDBHSA-N 2 1 313.445 1.628 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000855809334 704502030 /nfs/dbraw/zinc/50/20/30/704502030.db2.gz CCVOGHLJXOGOLK-KRWDZBQOSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000862756626 705791482 /nfs/dbraw/zinc/79/14/82/705791482.db2.gz VFNINJOFSGFVON-MRXNPFEDSA-N 2 1 317.433 1.504 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000862756626 705791486 /nfs/dbraw/zinc/79/14/86/705791486.db2.gz VFNINJOFSGFVON-MRXNPFEDSA-N 2 1 317.433 1.504 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876737313 705849538 /nfs/dbraw/zinc/84/95/38/705849538.db2.gz POYKUIPKFQXZQP-WMLDXEAASA-N 2 1 310.401 1.098 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000876737313 705849541 /nfs/dbraw/zinc/84/95/41/705849541.db2.gz POYKUIPKFQXZQP-WMLDXEAASA-N 2 1 310.401 1.098 20 30 DDEDMP C1CC[C@@H]2[NH+]=C(NN=C3CCC[N@@H+]4CCSC[C@H]34)N[C@@H]2C1 ZINC000872359816 707390323 /nfs/dbraw/zinc/39/03/23/707390323.db2.gz QBVCZINRSWNYFV-MBNYWOFBSA-N 2 1 307.467 1.414 20 30 DDEDMP C1CC[C@@H]2[NH+]=C(NN=C3CCC[N@H+]4CCSC[C@H]34)N[C@@H]2C1 ZINC000872359816 707390327 /nfs/dbraw/zinc/39/03/27/707390327.db2.gz QBVCZINRSWNYFV-MBNYWOFBSA-N 2 1 307.467 1.414 20 30 DDEDMP C#CC[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000883124549 707934102 /nfs/dbraw/zinc/93/41/02/707934102.db2.gz JQXYKQXGODGYRA-GOSISDBHSA-N 2 1 304.409 1.806 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000884206577 708189758 /nfs/dbraw/zinc/18/97/58/708189758.db2.gz YOGJCNNFQHKXBC-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000884206577 708189760 /nfs/dbraw/zinc/18/97/60/708189760.db2.gz YOGJCNNFQHKXBC-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000884233326 708203097 /nfs/dbraw/zinc/20/30/97/708203097.db2.gz OCNRMHBWONEATP-JCYILVPMSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000884233326 708203099 /nfs/dbraw/zinc/20/30/99/708203099.db2.gz OCNRMHBWONEATP-JCYILVPMSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000887634442 709087396 /nfs/dbraw/zinc/08/73/96/709087396.db2.gz RKTJFVJOFFMHHQ-IRXDYDNUSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000887634442 709087400 /nfs/dbraw/zinc/08/74/00/709087400.db2.gz RKTJFVJOFFMHHQ-IRXDYDNUSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000887634442 709087403 /nfs/dbraw/zinc/08/74/03/709087403.db2.gz RKTJFVJOFFMHHQ-IRXDYDNUSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000887634442 709087407 /nfs/dbraw/zinc/08/74/07/709087407.db2.gz RKTJFVJOFFMHHQ-IRXDYDNUSA-N 2 1 320.481 1.648 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000913519318 713243860 /nfs/dbraw/zinc/24/38/60/713243860.db2.gz VXAKPSYYTZAFHQ-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP CC(C)(C)NC(NCCC[NH+]1CCOCC1)=[NH+]CC1CCC1 ZINC000912499559 711353508 /nfs/dbraw/zinc/35/35/08/711353508.db2.gz RADDJVWJPZDZMH-UHFFFAOYSA-N 2 1 310.486 1.843 20 30 DDEDMP C#CCN(C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000921384307 713751650 /nfs/dbraw/zinc/75/16/50/713751650.db2.gz MNGNBIBKIZZASA-CABCVRRESA-N 2 1 318.465 1.351 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000923170673 714260710 /nfs/dbraw/zinc/26/07/10/714260710.db2.gz LIUBYKFVXWHMDP-HNNXBMFYSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000957280051 715814350 /nfs/dbraw/zinc/81/43/50/715814350.db2.gz VCLLYYQIWKOHGF-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961339921 716916616 /nfs/dbraw/zinc/91/66/16/716916616.db2.gz FDQUXMLKNZSBCL-JJXSEGSLSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961339921 716916618 /nfs/dbraw/zinc/91/66/18/716916618.db2.gz FDQUXMLKNZSBCL-JJXSEGSLSA-N 2 1 323.868 1.660 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940896348 717014370 /nfs/dbraw/zinc/01/43/70/717014370.db2.gz UYTROKVVZKOVJA-MRXNPFEDSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166051 717119784 /nfs/dbraw/zinc/11/97/84/717119784.db2.gz DTHHTLDAATZKLR-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000961829047 717221980 /nfs/dbraw/zinc/22/19/80/717221980.db2.gz CGEFGOJYXBNYOC-GFEQUFNTSA-N 2 1 323.440 1.011 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000961829047 717221985 /nfs/dbraw/zinc/22/19/85/717221985.db2.gz CGEFGOJYXBNYOC-GFEQUFNTSA-N 2 1 323.440 1.011 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC000961829047 717221991 /nfs/dbraw/zinc/22/19/91/717221991.db2.gz CGEFGOJYXBNYOC-GFEQUFNTSA-N 2 1 323.440 1.011 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000964670094 717370375 /nfs/dbraw/zinc/37/03/75/717370375.db2.gz QBZVZZXQXKMDQF-HVEGKCCWSA-N 2 1 321.465 1.299 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000964670094 717370378 /nfs/dbraw/zinc/37/03/78/717370378.db2.gz QBZVZZXQXKMDQF-HVEGKCCWSA-N 2 1 321.465 1.299 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942051903 717451917 /nfs/dbraw/zinc/45/19/17/717451917.db2.gz BIWMTWKVYHSUEN-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895389 718938049 /nfs/dbraw/zinc/93/80/49/718938049.db2.gz WXLYTJVHTHHTOQ-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895389 718938051 /nfs/dbraw/zinc/93/80/51/718938051.db2.gz WXLYTJVHTHHTOQ-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947776312 719266726 /nfs/dbraw/zinc/26/67/26/719266726.db2.gz VMQGQYONUYHQGM-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056809 719344643 /nfs/dbraw/zinc/34/46/43/719344643.db2.gz MIPILVPASZLWEO-YJBOKZPZSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)CC1 ZINC000948726083 719672540 /nfs/dbraw/zinc/67/25/40/719672540.db2.gz MXNWODMPUVHPFD-MRXNPFEDSA-N 2 1 317.433 1.901 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856542 719825772 /nfs/dbraw/zinc/82/57/72/719825772.db2.gz KBKUHAAKFKGKBY-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000969022662 719927976 /nfs/dbraw/zinc/92/79/76/719927976.db2.gz GWVJCCPZWSCVHF-LSDHHAIUSA-N 2 1 314.433 1.824 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969836927 720527108 /nfs/dbraw/zinc/52/71/08/720527108.db2.gz PECHXMQQIFQWGB-UKRRQHHQSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552966 735308004 /nfs/dbraw/zinc/30/80/04/735308004.db2.gz SARNLMTUFAQWCO-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552966 735308008 /nfs/dbraw/zinc/30/80/08/735308008.db2.gz SARNLMTUFAQWCO-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552966 735308011 /nfs/dbraw/zinc/30/80/11/735308011.db2.gz SARNLMTUFAQWCO-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560559 735311478 /nfs/dbraw/zinc/31/14/78/735311478.db2.gz SVUHZWRCVRPYDT-CQSZACIVSA-N 2 1 305.422 1.969 20 30 DDEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120878988 782205700 /nfs/dbraw/zinc/20/57/00/782205700.db2.gz PIUCYXOXSCEEJY-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120878988 782205706 /nfs/dbraw/zinc/20/57/06/782205706.db2.gz PIUCYXOXSCEEJY-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224356 733280147 /nfs/dbraw/zinc/28/01/47/733280147.db2.gz FAYBBMMELQYILS-IAGOWNOFSA-N 2 1 314.433 1.609 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001021896345 733650482 /nfs/dbraw/zinc/65/04/82/733650482.db2.gz YFEMJHXMYMZSLB-TUAOUCFPSA-N 2 1 316.243 1.226 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420265 738739997 /nfs/dbraw/zinc/73/99/97/738739997.db2.gz RRUODWLVNXKWTM-LSDHHAIUSA-N 2 1 305.466 1.615 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023371757 735203646 /nfs/dbraw/zinc/20/36/46/735203646.db2.gz DXKLLXWOXHDYPS-NVXWUHKLSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@]13CC[NH+](C1)CCC3)CC2 ZINC001035250959 751356075 /nfs/dbraw/zinc/35/60/75/751356075.db2.gz ZMSYJKSCFOQZOJ-IBGZPJMESA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@]13CC[N@H+](C1)CCC3)CC2 ZINC001035250959 751356081 /nfs/dbraw/zinc/35/60/81/751356081.db2.gz ZMSYJKSCFOQZOJ-IBGZPJMESA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)CC2 ZINC001035250959 751356088 /nfs/dbraw/zinc/35/60/88/751356088.db2.gz ZMSYJKSCFOQZOJ-IBGZPJMESA-N 2 1 315.461 1.420 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438654 735827415 /nfs/dbraw/zinc/82/74/15/735827415.db2.gz UDSHIKMPZFKTBV-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438656 735828676 /nfs/dbraw/zinc/82/86/76/735828676.db2.gz UDSHIKMPZFKTBV-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317620 736081152 /nfs/dbraw/zinc/08/11/52/736081152.db2.gz KPHDFQVVTHSAHC-OIISXLGYSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317620 736081156 /nfs/dbraw/zinc/08/11/56/736081156.db2.gz KPHDFQVVTHSAHC-OIISXLGYSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818358 736869504 /nfs/dbraw/zinc/86/95/04/736869504.db2.gz AEDMYYIREBGQKX-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818358 736869505 /nfs/dbraw/zinc/86/95/05/736869505.db2.gz AEDMYYIREBGQKX-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818358 736869506 /nfs/dbraw/zinc/86/95/06/736869506.db2.gz AEDMYYIREBGQKX-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818647 736870558 /nfs/dbraw/zinc/87/05/58/736870558.db2.gz XRCVBBOUUZXXQL-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818647 736870561 /nfs/dbraw/zinc/87/05/61/736870561.db2.gz XRCVBBOUUZXXQL-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818647 736870565 /nfs/dbraw/zinc/87/05/65/736870565.db2.gz XRCVBBOUUZXXQL-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818647 736870568 /nfs/dbraw/zinc/87/05/68/736870568.db2.gz XRCVBBOUUZXXQL-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818647 736870571 /nfs/dbraw/zinc/87/05/71/736870571.db2.gz XRCVBBOUUZXXQL-OWYFMNJBSA-N 2 1 323.868 1.802 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001019772858 736920374 /nfs/dbraw/zinc/92/03/74/736920374.db2.gz USHGRVNWAOUFBB-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001026608901 737693412 /nfs/dbraw/zinc/69/34/12/737693412.db2.gz OWHHHCLNRKWUMU-UYSNPLJNSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001026608901 737693413 /nfs/dbraw/zinc/69/34/13/737693413.db2.gz OWHHHCLNRKWUMU-UYSNPLJNSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028268512 739257850 /nfs/dbraw/zinc/25/78/50/739257850.db2.gz VUEYNYQNANXKTO-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028268512 739257853 /nfs/dbraw/zinc/25/78/53/739257853.db2.gz VUEYNYQNANXKTO-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035417188 751498123 /nfs/dbraw/zinc/49/81/23/751498123.db2.gz RUELEAMTCILGFI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035417188 751498126 /nfs/dbraw/zinc/49/81/26/751498126.db2.gz RUELEAMTCILGFI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035417188 751498130 /nfs/dbraw/zinc/49/81/30/751498130.db2.gz RUELEAMTCILGFI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700609 740713730 /nfs/dbraw/zinc/71/37/30/740713730.db2.gz ROBCCUCKNJECJX-BBWFWOEESA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700609 740713734 /nfs/dbraw/zinc/71/37/34/740713734.db2.gz ROBCCUCKNJECJX-BBWFWOEESA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700609 740713737 /nfs/dbraw/zinc/71/37/37/740713737.db2.gz ROBCCUCKNJECJX-BBWFWOEESA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700609 740713741 /nfs/dbraw/zinc/71/37/41/740713741.db2.gz ROBCCUCKNJECJX-BBWFWOEESA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971305 740900848 /nfs/dbraw/zinc/90/08/48/740900848.db2.gz QXOBMFAUXLNKSK-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971305 740900850 /nfs/dbraw/zinc/90/08/50/740900850.db2.gz QXOBMFAUXLNKSK-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971305 740900854 /nfs/dbraw/zinc/90/08/54/740900854.db2.gz QXOBMFAUXLNKSK-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970926 740901136 /nfs/dbraw/zinc/90/11/36/740901136.db2.gz WCDMYWIELUNCHE-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970926 740901140 /nfs/dbraw/zinc/90/11/40/740901140.db2.gz WCDMYWIELUNCHE-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087970926 740901145 /nfs/dbraw/zinc/90/11/45/740901145.db2.gz WCDMYWIELUNCHE-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993281 740934440 /nfs/dbraw/zinc/93/44/40/740934440.db2.gz IOSMHUSXJANQRA-IKGGRYGDSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311815 741371971 /nfs/dbraw/zinc/37/19/71/741371971.db2.gz HOOREIMSKAFWRK-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883329 741660624 /nfs/dbraw/zinc/66/06/24/741660624.db2.gz YQQMAIMYLKSJAB-ARFHVFGLSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883329 741660625 /nfs/dbraw/zinc/66/06/25/741660625.db2.gz YQQMAIMYLKSJAB-ARFHVFGLSA-N 2 1 312.417 1.317 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076045518 742509889 /nfs/dbraw/zinc/50/98/89/742509889.db2.gz CPVCOTNBCQLXPF-WMLDXEAASA-N 2 1 308.385 1.504 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035705982 751792564 /nfs/dbraw/zinc/79/25/64/751792564.db2.gz INXLKUUBGMKSRA-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717018 751803259 /nfs/dbraw/zinc/80/32/59/751803259.db2.gz DUXNWYNPFWICCQ-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184811958 744106369 /nfs/dbraw/zinc/10/63/69/744106369.db2.gz YIFXBBBBDQLAJW-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186082919 744332483 /nfs/dbraw/zinc/33/24/83/744332483.db2.gz ODSHBKJEIKBENE-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082991 744333111 /nfs/dbraw/zinc/33/31/11/744333111.db2.gz QNPFXTCRDLWIQS-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+](CCC)C3)CCC[C@H]12 ZINC000992155660 744640732 /nfs/dbraw/zinc/64/07/32/744640732.db2.gz ZCMDTJQOAQRSLG-JENIJYKNSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992155660 744640734 /nfs/dbraw/zinc/64/07/34/744640734.db2.gz ZCMDTJQOAQRSLG-JENIJYKNSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992155660 744640738 /nfs/dbraw/zinc/64/07/38/744640738.db2.gz ZCMDTJQOAQRSLG-JENIJYKNSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188563146 744717114 /nfs/dbraw/zinc/71/71/14/744717114.db2.gz ZJVPUTILDXNPPJ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001188563146 744717117 /nfs/dbraw/zinc/71/71/17/744717117.db2.gz ZJVPUTILDXNPPJ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992347370 744812981 /nfs/dbraw/zinc/81/29/81/744812981.db2.gz CNBLCAAGLQFKAI-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992347370 744812984 /nfs/dbraw/zinc/81/29/84/744812984.db2.gz CNBLCAAGLQFKAI-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189292 745712275 /nfs/dbraw/zinc/71/22/75/745712275.db2.gz CNNLZTYNIIHECF-HZPDHXFCSA-N 2 1 311.470 1.308 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001193755909 746197737 /nfs/dbraw/zinc/19/77/37/746197737.db2.gz MXXLQTXSRLDXGP-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001193755909 746197739 /nfs/dbraw/zinc/19/77/39/746197739.db2.gz MXXLQTXSRLDXGP-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001193755909 746197742 /nfs/dbraw/zinc/19/77/42/746197742.db2.gz MXXLQTXSRLDXGP-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001194119533 746279481 /nfs/dbraw/zinc/27/94/81/746279481.db2.gz XETIZNFREFGDTR-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001194119533 746279484 /nfs/dbraw/zinc/27/94/84/746279484.db2.gz XETIZNFREFGDTR-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001194119533 746279486 /nfs/dbraw/zinc/27/94/86/746279486.db2.gz XETIZNFREFGDTR-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001194119533 746279491 /nfs/dbraw/zinc/27/94/91/746279491.db2.gz XETIZNFREFGDTR-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001194321437 746336726 /nfs/dbraw/zinc/33/67/26/746336726.db2.gz WSQULTVMOBICII-BRWVUGGUSA-N 2 1 323.481 1.234 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994005425 746417815 /nfs/dbraw/zinc/41/78/15/746417815.db2.gz LSPOPDFZUFWQKG-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007334501 752101377 /nfs/dbraw/zinc/10/13/77/752101377.db2.gz VHFTVLNSZYQBKP-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994447556 746660320 /nfs/dbraw/zinc/66/03/20/746660320.db2.gz AIKQTMLPTKKACW-MAUKXSAKSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196129733 746779433 /nfs/dbraw/zinc/77/94/33/746779433.db2.gz IRLTXSBRHCPXQL-OWCLPIDISA-N 2 1 311.470 1.234 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229463 747064805 /nfs/dbraw/zinc/06/48/05/747064805.db2.gz GVWOAAMRHLFPSX-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492753 747102910 /nfs/dbraw/zinc/10/29/10/747102910.db2.gz OCZJEYWORAQILS-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492753 747102912 /nfs/dbraw/zinc/10/29/12/747102912.db2.gz OCZJEYWORAQILS-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089492753 747102914 /nfs/dbraw/zinc/10/29/14/747102914.db2.gz OCZJEYWORAQILS-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016385990 747108176 /nfs/dbraw/zinc/10/81/76/747108176.db2.gz WLSGUBKNFAKGGS-OAHLLOKOSA-N 2 1 317.433 1.949 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001197447781 747153979 /nfs/dbraw/zinc/15/39/79/747153979.db2.gz LNDDTVVQIJTQBI-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001197447781 747153985 /nfs/dbraw/zinc/15/39/85/747153985.db2.gz LNDDTVVQIJTQBI-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001036120066 752188625 /nfs/dbraw/zinc/18/86/25/752188625.db2.gz ZEMBFUMYNRSHKP-HUUCEWRRSA-N 2 1 314.433 1.222 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198616811 747550145 /nfs/dbraw/zinc/55/01/45/747550145.db2.gz JIFIAWKZOFOVCH-JKSUJKDBSA-N 2 1 317.433 1.722 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111611 747716228 /nfs/dbraw/zinc/71/62/28/747716228.db2.gz DBBXQDQFGIIDBX-HZPDHXFCSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111611 747716230 /nfs/dbraw/zinc/71/62/30/747716230.db2.gz DBBXQDQFGIIDBX-HZPDHXFCSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111611 747716233 /nfs/dbraw/zinc/71/62/33/747716233.db2.gz DBBXQDQFGIIDBX-HZPDHXFCSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000998804397 752239796 /nfs/dbraw/zinc/23/97/96/752239796.db2.gz KDEOJEHMNVTIGR-ZUEPYMLJSA-N 2 1 317.437 1.555 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000998804397 752239800 /nfs/dbraw/zinc/23/98/00/752239800.db2.gz KDEOJEHMNVTIGR-ZUEPYMLJSA-N 2 1 317.437 1.555 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200578543 748284320 /nfs/dbraw/zinc/28/43/20/748284320.db2.gz WMBPDCFXTGOVBK-RDJZCZTQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036204083 752257334 /nfs/dbraw/zinc/25/73/34/752257334.db2.gz DOBYGNKLVSWTPI-HUUCEWRRSA-N 2 1 302.422 1.466 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201930801 748628920 /nfs/dbraw/zinc/62/89/20/748628920.db2.gz GIAPNCNRUOZIFE-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007724250 752295150 /nfs/dbraw/zinc/29/51/50/752295150.db2.gz UFHMZVIHVUGUPO-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001110693372 748900034 /nfs/dbraw/zinc/90/00/34/748900034.db2.gz JWHYPYBQEVYPDD-NCOADZHNSA-N 2 1 323.481 1.497 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033213281 748949836 /nfs/dbraw/zinc/94/98/36/748949836.db2.gz ZESKBKGHYBHDHH-KBPBESRZSA-N 2 1 302.422 1.542 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033213281 748949842 /nfs/dbraw/zinc/94/98/42/748949842.db2.gz ZESKBKGHYBHDHH-KBPBESRZSA-N 2 1 302.422 1.542 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001114401903 749166794 /nfs/dbraw/zinc/16/67/94/749166794.db2.gz AKIROUDLQIZWMM-BDXSIMOUSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001114401903 749166797 /nfs/dbraw/zinc/16/67/97/749166797.db2.gz AKIROUDLQIZWMM-BDXSIMOUSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001114401903 749166799 /nfs/dbraw/zinc/16/67/99/749166799.db2.gz AKIROUDLQIZWMM-BDXSIMOUSA-N 2 1 319.493 1.977 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC=C(C)C ZINC001153864490 749285984 /nfs/dbraw/zinc/28/59/84/749285984.db2.gz VGMWQIIAAYFYRQ-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001153864490 749285988 /nfs/dbraw/zinc/28/59/88/749285988.db2.gz VGMWQIIAAYFYRQ-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC=C(C)C ZINC001153864490 749285995 /nfs/dbraw/zinc/28/59/95/749285995.db2.gz VGMWQIIAAYFYRQ-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC=C(C)C ZINC001153864490 749286000 /nfs/dbraw/zinc/28/60/00/749286000.db2.gz VGMWQIIAAYFYRQ-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001033687654 749720261 /nfs/dbraw/zinc/72/02/61/749720261.db2.gz JUPUYXACDRQRTR-QGZVFWFLSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438629 749959025 /nfs/dbraw/zinc/95/90/25/749959025.db2.gz FKECDMXISKHSOA-ZHALLVOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033935415 750166375 /nfs/dbraw/zinc/16/63/75/750166375.db2.gz FQZPSVSRJXZGQC-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033935415 750166376 /nfs/dbraw/zinc/16/63/76/750166376.db2.gz FQZPSVSRJXZGQC-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033935415 750166378 /nfs/dbraw/zinc/16/63/78/750166378.db2.gz FQZPSVSRJXZGQC-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001033956547 750179907 /nfs/dbraw/zinc/17/99/07/750179907.db2.gz HDFKOYFBSBAELT-ARFHVFGLSA-N 2 1 314.433 1.470 20 30 DDEDMP CC#CCN1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001033956547 750179911 /nfs/dbraw/zinc/17/99/11/750179911.db2.gz HDFKOYFBSBAELT-ARFHVFGLSA-N 2 1 314.433 1.470 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111020782 750310729 /nfs/dbraw/zinc/31/07/29/750310729.db2.gz JISAUPFCZABIDB-VQHPVUNQSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020782 750310733 /nfs/dbraw/zinc/31/07/33/750310733.db2.gz JISAUPFCZABIDB-VQHPVUNQSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111020782 750310740 /nfs/dbraw/zinc/31/07/40/750310740.db2.gz JISAUPFCZABIDB-VQHPVUNQSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496186 750660270 /nfs/dbraw/zinc/66/02/70/750660270.db2.gz HPAUTYKMIXLTGE-VQFNDLOPSA-N 2 1 314.433 1.530 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039469575 762058863 /nfs/dbraw/zinc/05/88/63/762058863.db2.gz GHRNQGIFXOYCRA-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001039469575 762058872 /nfs/dbraw/zinc/05/88/72/762058872.db2.gz GHRNQGIFXOYCRA-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001039469575 762058882 /nfs/dbraw/zinc/05/88/82/762058882.db2.gz GHRNQGIFXOYCRA-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032445955 750849786 /nfs/dbraw/zinc/84/97/86/750849786.db2.gz SMLOEOFKONSRNZ-YESZJQIVSA-N 2 1 303.450 1.865 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032443229 750857144 /nfs/dbraw/zinc/85/71/44/750857144.db2.gz OFTVVOJMGVCFTL-ULQDDVLXSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443229 750857151 /nfs/dbraw/zinc/85/71/51/750857151.db2.gz OFTVVOJMGVCFTL-ULQDDVLXSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443229 750857157 /nfs/dbraw/zinc/85/71/57/750857157.db2.gz OFTVVOJMGVCFTL-ULQDDVLXSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997434960 750914413 /nfs/dbraw/zinc/91/44/13/750914413.db2.gz RMPPFNFESBAFNU-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C(C)C)cc1 ZINC001034817860 750920113 /nfs/dbraw/zinc/92/01/13/750920113.db2.gz FIZAREJMYQZTBO-SFHVURJKSA-N 2 1 313.445 1.898 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C(C)C)cc1 ZINC001034817860 750920117 /nfs/dbraw/zinc/92/01/17/750920117.db2.gz FIZAREJMYQZTBO-SFHVURJKSA-N 2 1 313.445 1.898 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC)CC1 ZINC000997624443 751164072 /nfs/dbraw/zinc/16/40/72/751164072.db2.gz OZEVQQXWBUACOH-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC)CC1 ZINC000997624443 751164076 /nfs/dbraw/zinc/16/40/76/751164076.db2.gz OZEVQQXWBUACOH-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035227001 751304616 /nfs/dbraw/zinc/30/46/16/751304616.db2.gz MIKBGBOHDVUOLP-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227001 751304620 /nfs/dbraw/zinc/30/46/20/751304620.db2.gz MIKBGBOHDVUOLP-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227001 751304625 /nfs/dbraw/zinc/30/46/25/751304625.db2.gz MIKBGBOHDVUOLP-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035226223 751305087 /nfs/dbraw/zinc/30/50/87/751305087.db2.gz JBDXZCDLHQTMSP-QGZVFWFLSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008054263 752523688 /nfs/dbraw/zinc/52/36/88/752523688.db2.gz XZULGIOIAFFNCP-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008054263 752523691 /nfs/dbraw/zinc/52/36/91/752523691.db2.gz XZULGIOIAFFNCP-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416264 752626871 /nfs/dbraw/zinc/62/68/71/752626871.db2.gz GCWVVRUMUJNKEW-DJIMGWMZSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999351935 752854157 /nfs/dbraw/zinc/85/41/57/752854157.db2.gz HLFHLLPDNBLYQN-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107996728 753385169 /nfs/dbraw/zinc/38/51/69/753385169.db2.gz HEPOEIJYASOSCE-KRWDZBQOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996728 753385171 /nfs/dbraw/zinc/38/51/71/753385171.db2.gz HEPOEIJYASOSCE-KRWDZBQOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996728 753385172 /nfs/dbraw/zinc/38/51/72/753385172.db2.gz HEPOEIJYASOSCE-KRWDZBQOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107999026 753426207 /nfs/dbraw/zinc/42/62/07/753426207.db2.gz XBUZPEKSAOUYBX-WBVHZDCISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107999026 753426212 /nfs/dbraw/zinc/42/62/12/753426212.db2.gz XBUZPEKSAOUYBX-WBVHZDCISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001922788 754581994 /nfs/dbraw/zinc/58/19/94/754581994.db2.gz BPDDTDKCGQZMLZ-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001972815 754610080 /nfs/dbraw/zinc/61/00/80/754610080.db2.gz GKEZHDBUBIOMHR-UHFFFAOYSA-N 2 1 323.400 1.342 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040110676 762389773 /nfs/dbraw/zinc/38/97/73/762389773.db2.gz WIGRDJVDKMMMQN-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040110676 762389780 /nfs/dbraw/zinc/38/97/80/762389780.db2.gz WIGRDJVDKMMMQN-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040110676 762389783 /nfs/dbraw/zinc/38/97/83/762389783.db2.gz WIGRDJVDKMMMQN-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001079846672 755607410 /nfs/dbraw/zinc/60/74/10/755607410.db2.gz XSCOYLQHOZEMMR-RBSFLKMASA-N 2 1 300.406 1.220 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001079846672 755607412 /nfs/dbraw/zinc/60/74/12/755607412.db2.gz XSCOYLQHOZEMMR-RBSFLKMASA-N 2 1 300.406 1.220 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949261 755649759 /nfs/dbraw/zinc/64/97/59/755649759.db2.gz VYJSFOAWJDKJGU-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258068 756878825 /nfs/dbraw/zinc/87/88/25/756878825.db2.gz ZWPIXHCEMCZHIS-OLZOCXBDSA-N 2 1 318.446 1.262 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258068 756878831 /nfs/dbraw/zinc/87/88/31/756878831.db2.gz ZWPIXHCEMCZHIS-OLZOCXBDSA-N 2 1 318.446 1.262 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258068 756878835 /nfs/dbraw/zinc/87/88/35/756878835.db2.gz ZWPIXHCEMCZHIS-OLZOCXBDSA-N 2 1 318.446 1.262 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258068 756878841 /nfs/dbraw/zinc/87/88/41/756878841.db2.gz ZWPIXHCEMCZHIS-OLZOCXBDSA-N 2 1 318.446 1.262 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001097323405 757090717 /nfs/dbraw/zinc/09/07/17/757090717.db2.gz CBFLDQNQRPNNLT-DGXTUMSLSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001097323405 757090725 /nfs/dbraw/zinc/09/07/25/757090725.db2.gz CBFLDQNQRPNNLT-DGXTUMSLSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323405 757090734 /nfs/dbraw/zinc/09/07/34/757090734.db2.gz CBFLDQNQRPNNLT-DGXTUMSLSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323405 757090739 /nfs/dbraw/zinc/09/07/39/757090739.db2.gz CBFLDQNQRPNNLT-DGXTUMSLSA-N 2 1 307.438 1.003 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016554115 757155580 /nfs/dbraw/zinc/15/55/80/757155580.db2.gz VZERMJDXBOELRL-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016554115 757155584 /nfs/dbraw/zinc/15/55/84/757155584.db2.gz VZERMJDXBOELRL-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580126 757258964 /nfs/dbraw/zinc/25/89/64/757258964.db2.gz SBLOOSSJRZRMQK-BDXSIMOUSA-N 2 1 315.461 1.606 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791044 757355196 /nfs/dbraw/zinc/35/51/96/757355196.db2.gz RCBQXEJTMBMZGO-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406495 757565185 /nfs/dbraw/zinc/56/51/85/757565185.db2.gz QPGFNTPOZQGRFJ-KBAYOESNSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406495 757565195 /nfs/dbraw/zinc/56/51/95/757565195.db2.gz QPGFNTPOZQGRFJ-KBAYOESNSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406495 757565205 /nfs/dbraw/zinc/56/52/05/757565205.db2.gz QPGFNTPOZQGRFJ-KBAYOESNSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406495 757565214 /nfs/dbraw/zinc/56/52/14/757565214.db2.gz QPGFNTPOZQGRFJ-KBAYOESNSA-N 2 1 315.461 1.559 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716284 757681388 /nfs/dbraw/zinc/68/13/88/757681388.db2.gz LEJLBANKRGXLGI-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052716284 757681393 /nfs/dbraw/zinc/68/13/93/757681393.db2.gz LEJLBANKRGXLGI-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052716284 757681397 /nfs/dbraw/zinc/68/13/97/757681397.db2.gz LEJLBANKRGXLGI-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694589 757783074 /nfs/dbraw/zinc/78/30/74/757783074.db2.gz KSSWXQCQJMWCAK-HUUCEWRRSA-N 2 1 302.422 1.725 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001084694589 757783079 /nfs/dbraw/zinc/78/30/79/757783079.db2.gz KSSWXQCQJMWCAK-HUUCEWRRSA-N 2 1 302.422 1.725 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569599 758040004 /nfs/dbraw/zinc/04/00/04/758040004.db2.gz OASKUNYRWLZONH-VVLHAWIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569599 758040016 /nfs/dbraw/zinc/04/00/16/758040016.db2.gz OASKUNYRWLZONH-VVLHAWIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017569599 758040026 /nfs/dbraw/zinc/04/00/26/758040026.db2.gz OASKUNYRWLZONH-VVLHAWIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017569599 758040033 /nfs/dbraw/zinc/04/00/33/758040033.db2.gz OASKUNYRWLZONH-VVLHAWIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017610267 758079266 /nfs/dbraw/zinc/07/92/66/758079266.db2.gz DQQFELOGSBFQCL-YESZJQIVSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610267 758079275 /nfs/dbraw/zinc/07/92/75/758079275.db2.gz DQQFELOGSBFQCL-YESZJQIVSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017610267 758079284 /nfs/dbraw/zinc/07/92/84/758079284.db2.gz DQQFELOGSBFQCL-YESZJQIVSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017610267 758079286 /nfs/dbraw/zinc/07/92/86/758079286.db2.gz DQQFELOGSBFQCL-YESZJQIVSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017610267 758079294 /nfs/dbraw/zinc/07/92/94/758079294.db2.gz DQQFELOGSBFQCL-YESZJQIVSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085033196 758167234 /nfs/dbraw/zinc/16/72/34/758167234.db2.gz VMRJQCGKLOHNSL-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053927214 758964275 /nfs/dbraw/zinc/96/42/75/758964275.db2.gz VWXNZVHCIJAFEJ-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001053927214 758964280 /nfs/dbraw/zinc/96/42/80/758964280.db2.gz VWXNZVHCIJAFEJ-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018627456 759045183 /nfs/dbraw/zinc/04/51/83/759045183.db2.gz GQKYSFQQEGFYMI-NWDGAFQWSA-N 2 1 316.243 1.180 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054134196 759209183 /nfs/dbraw/zinc/20/91/83/759209183.db2.gz WFBDPBNLLWUOTD-IEBWSBKVSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190411 759275241 /nfs/dbraw/zinc/27/52/41/759275241.db2.gz IXSRIEYIJNGQDD-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001018963697 759455953 /nfs/dbraw/zinc/45/59/53/759455953.db2.gz VTHPAQJTARBMMF-HOCLYGCPSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639103 759910593 /nfs/dbraw/zinc/91/05/93/759910593.db2.gz IADMHNDZOSCPFD-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639103 759910599 /nfs/dbraw/zinc/91/05/99/759910599.db2.gz IADMHNDZOSCPFD-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639097 759910621 /nfs/dbraw/zinc/91/06/21/759910621.db2.gz HWNHYSRCFSMTEW-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639097 759910627 /nfs/dbraw/zinc/91/06/27/759910627.db2.gz HWNHYSRCFSMTEW-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639097 759910634 /nfs/dbraw/zinc/91/06/34/759910634.db2.gz HWNHYSRCFSMTEW-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639097 759910641 /nfs/dbraw/zinc/91/06/41/759910641.db2.gz HWNHYSRCFSMTEW-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001098396014 760485759 /nfs/dbraw/zinc/48/57/59/760485759.db2.gz KZDCYMLXDNRJAX-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001098396014 760485762 /nfs/dbraw/zinc/48/57/62/760485762.db2.gz KZDCYMLXDNRJAX-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001098396014 760485764 /nfs/dbraw/zinc/48/57/64/760485764.db2.gz KZDCYMLXDNRJAX-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001098406515 760963290 /nfs/dbraw/zinc/96/32/90/760963290.db2.gz QVXKCBRRQUZNDL-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098406515 760963298 /nfs/dbraw/zinc/96/32/98/760963298.db2.gz QVXKCBRRQUZNDL-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098406515 760963304 /nfs/dbraw/zinc/96/33/04/760963304.db2.gz QVXKCBRRQUZNDL-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001086199896 761160832 /nfs/dbraw/zinc/16/08/32/761160832.db2.gz XRPNTWYPVBIUBJ-OKILXGFUSA-N 2 1 318.421 1.554 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538826 761185299 /nfs/dbraw/zinc/18/52/99/761185299.db2.gz YDLBRGINMGWVKS-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038538826 761185306 /nfs/dbraw/zinc/18/53/06/761185306.db2.gz YDLBRGINMGWVKS-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038538826 761185311 /nfs/dbraw/zinc/18/53/11/761185311.db2.gz YDLBRGINMGWVKS-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001001461644 762883983 /nfs/dbraw/zinc/88/39/83/762883983.db2.gz MNFVUBDTYKPOOB-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001461644 762883990 /nfs/dbraw/zinc/88/39/90/762883990.db2.gz MNFVUBDTYKPOOB-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001461644 762883997 /nfs/dbraw/zinc/88/39/97/762883997.db2.gz MNFVUBDTYKPOOB-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001461644 762884005 /nfs/dbraw/zinc/88/40/05/762884005.db2.gz MNFVUBDTYKPOOB-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359952 762979688 /nfs/dbraw/zinc/97/96/88/762979688.db2.gz WIWXVQCIIVARHZ-CRAIPNDOSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359952 762979693 /nfs/dbraw/zinc/97/96/93/762979693.db2.gz WIWXVQCIIVARHZ-CRAIPNDOSA-N 2 1 312.417 1.318 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041375155 762987417 /nfs/dbraw/zinc/98/74/17/762987417.db2.gz LLFRJFRLPLTLQU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041375155 762987421 /nfs/dbraw/zinc/98/74/21/762987421.db2.gz LLFRJFRLPLTLQU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041375155 762987429 /nfs/dbraw/zinc/98/74/29/762987429.db2.gz LLFRJFRLPLTLQU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068997 763084996 /nfs/dbraw/zinc/08/49/96/763084996.db2.gz RIAHAKQSSDBEIL-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068997 763085001 /nfs/dbraw/zinc/08/50/01/763085001.db2.gz RIAHAKQSSDBEIL-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068997 763085008 /nfs/dbraw/zinc/08/50/08/763085008.db2.gz RIAHAKQSSDBEIL-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041601462 763171598 /nfs/dbraw/zinc/17/15/98/763171598.db2.gz JWVGCXQZMIXJDA-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041601462 763171606 /nfs/dbraw/zinc/17/16/06/763171606.db2.gz JWVGCXQZMIXJDA-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041601462 763171613 /nfs/dbraw/zinc/17/16/13/763171613.db2.gz JWVGCXQZMIXJDA-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139436 763202586 /nfs/dbraw/zinc/20/25/86/763202586.db2.gz BGZSDYHRQHMQFQ-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139436 763202591 /nfs/dbraw/zinc/20/25/91/763202591.db2.gz BGZSDYHRQHMQFQ-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050139436 763202603 /nfs/dbraw/zinc/20/26/03/763202603.db2.gz BGZSDYHRQHMQFQ-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CC=C)C3)C2)CC1 ZINC001041844330 763400131 /nfs/dbraw/zinc/40/01/31/763400131.db2.gz GVZGSSRBXVOXOI-IBGZPJMESA-N 2 1 315.461 1.442 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109406015 763666503 /nfs/dbraw/zinc/66/65/03/763666503.db2.gz KZUVEZLREZUHNP-QZWWFDLISA-N 2 1 321.465 1.251 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042122026 763675680 /nfs/dbraw/zinc/67/56/80/763675680.db2.gz KYTVDFBARALHMD-YJBOKZPZSA-N 2 1 322.412 1.812 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980558 764252893 /nfs/dbraw/zinc/25/28/93/764252893.db2.gz QABORWIAVVFQDE-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131683553 768259968 /nfs/dbraw/zinc/25/99/68/768259968.db2.gz ZGWMCIUIEBKJML-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001044679362 765748157 /nfs/dbraw/zinc/74/81/57/765748157.db2.gz ACHSUGPKZBLPGK-JSGCOSHPSA-N 2 1 310.829 1.913 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052437853 765826320 /nfs/dbraw/zinc/82/63/20/765826320.db2.gz JYWDXJUQKAGUEL-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052437853 765826327 /nfs/dbraw/zinc/82/63/27/765826327.db2.gz JYWDXJUQKAGUEL-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052437853 765826337 /nfs/dbraw/zinc/82/63/37/765826337.db2.gz JYWDXJUQKAGUEL-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052514431 765908232 /nfs/dbraw/zinc/90/82/32/765908232.db2.gz QQXFCKCYZUWNDM-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620299 766796725 /nfs/dbraw/zinc/79/67/25/766796725.db2.gz JUVMKIOXXNRJTF-ZWKOTPCHSA-N 2 1 323.440 1.300 20 30 DDEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086620299 766796729 /nfs/dbraw/zinc/79/67/29/766796729.db2.gz JUVMKIOXXNRJTF-ZWKOTPCHSA-N 2 1 323.440 1.300 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046574949 767703871 /nfs/dbraw/zinc/70/38/71/767703871.db2.gz MBHZGHMHYHVKJQ-QAPCUYQASA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046574949 767703874 /nfs/dbraw/zinc/70/38/74/767703874.db2.gz MBHZGHMHYHVKJQ-QAPCUYQASA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071104354 768950929 /nfs/dbraw/zinc/95/09/29/768950929.db2.gz TYGSTWKECIDPAK-ZACQAIPSSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001132791409 769200953 /nfs/dbraw/zinc/20/09/53/769200953.db2.gz YWVYOMQFZMZYPC-QGZVFWFLSA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132977168 769379051 /nfs/dbraw/zinc/37/90/51/769379051.db2.gz JXTKJFPBCBUCIX-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562031 769535198 /nfs/dbraw/zinc/53/51/98/769535198.db2.gz IKUUBPZNJQSSES-UYTYNIKBSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562031 769535204 /nfs/dbraw/zinc/53/52/04/769535204.db2.gz IKUUBPZNJQSSES-UYTYNIKBSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562031 769535210 /nfs/dbraw/zinc/53/52/10/769535210.db2.gz IKUUBPZNJQSSES-UYTYNIKBSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682521 769866532 /nfs/dbraw/zinc/86/65/32/769866532.db2.gz NCOMVFIJFZRYCB-HOCLYGCPSA-N 2 1 310.401 1.940 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048958957 770165937 /nfs/dbraw/zinc/16/59/37/770165937.db2.gz AGNWUKPLRHCINB-BBWFWOEESA-N 2 1 303.450 1.437 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012560 770250768 /nfs/dbraw/zinc/25/07/68/770250768.db2.gz DLGBFMUCWDEBJH-IYBDPMFKSA-N 2 1 317.433 1.921 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012560 770250778 /nfs/dbraw/zinc/25/07/78/770250778.db2.gz DLGBFMUCWDEBJH-IYBDPMFKSA-N 2 1 317.433 1.921 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055775 770299434 /nfs/dbraw/zinc/29/94/34/770299434.db2.gz JHOFPKDYDMMOAY-IYBDPMFKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055775 770299444 /nfs/dbraw/zinc/29/94/44/770299444.db2.gz JHOFPKDYDMMOAY-IYBDPMFKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055775 770299457 /nfs/dbraw/zinc/29/94/57/770299457.db2.gz JHOFPKDYDMMOAY-IYBDPMFKSA-N 2 1 305.466 1.685 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001133842493 770346189 /nfs/dbraw/zinc/34/61/89/770346189.db2.gz SHDHOGDNIZQVCO-CYBMUJFWSA-N 2 1 318.396 1.245 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071958299 770349858 /nfs/dbraw/zinc/34/98/58/770349858.db2.gz WVCCNFBHGNDQAR-DOTOQJQBSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089483 770352069 /nfs/dbraw/zinc/35/20/69/770352069.db2.gz PZZGRDULTOMOEZ-IYBDPMFKSA-N 2 1 316.449 1.973 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089483 770352079 /nfs/dbraw/zinc/35/20/79/770352079.db2.gz PZZGRDULTOMOEZ-IYBDPMFKSA-N 2 1 316.449 1.973 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001133845828 770354710 /nfs/dbraw/zinc/35/47/10/770354710.db2.gz OFLRGBOMRROAPD-CYBMUJFWSA-N 2 1 318.396 1.245 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049171382 770494447 /nfs/dbraw/zinc/49/44/47/770494447.db2.gz OEBZAXNOBGVYQT-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049171382 770494449 /nfs/dbraw/zinc/49/44/49/770494449.db2.gz OEBZAXNOBGVYQT-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049171382 770494451 /nfs/dbraw/zinc/49/44/51/770494451.db2.gz OEBZAXNOBGVYQT-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049538490 770998696 /nfs/dbraw/zinc/99/86/96/770998696.db2.gz WUROBCWEIWOYHH-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049538490 770998704 /nfs/dbraw/zinc/99/87/04/770998704.db2.gz WUROBCWEIWOYHH-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049538490 770998711 /nfs/dbraw/zinc/99/87/11/770998711.db2.gz WUROBCWEIWOYHH-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049636395 771038564 /nfs/dbraw/zinc/03/85/64/771038564.db2.gz BYDMJZYOTBPECD-HOTGVXAUSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001049673066 771072587 /nfs/dbraw/zinc/07/25/87/771072587.db2.gz PBQWIURTJFENTE-BRWVUGGUSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001049673066 771072595 /nfs/dbraw/zinc/07/25/95/771072595.db2.gz PBQWIURTJFENTE-BRWVUGGUSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049673066 771072602 /nfs/dbraw/zinc/07/26/02/771072602.db2.gz PBQWIURTJFENTE-BRWVUGGUSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049673066 771072610 /nfs/dbraw/zinc/07/26/10/771072610.db2.gz PBQWIURTJFENTE-BRWVUGGUSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049804292 771173839 /nfs/dbraw/zinc/17/38/39/771173839.db2.gz FBTRHWLNDXRPKC-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995734 771825895 /nfs/dbraw/zinc/82/58/95/771825895.db2.gz KFNOWPDUXXAIHH-CVEARBPZSA-N 2 1 313.486 1.794 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001147877577 773283076 /nfs/dbraw/zinc/28/30/76/773283076.db2.gz MDQHMEBXVDYJGS-INIZCTEOSA-N 2 1 317.408 1.225 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777138 773584795 /nfs/dbraw/zinc/58/47/95/773584795.db2.gz ASLFSIZTNSWIFV-UHFFFAOYSA-N 2 1 317.477 1.810 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956768 773744212 /nfs/dbraw/zinc/74/42/12/773744212.db2.gz XDJDMRJEDZOIFX-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001110126434 773903466 /nfs/dbraw/zinc/90/34/66/773903466.db2.gz UODBRSCOKOZGAL-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001110126434 773903471 /nfs/dbraw/zinc/90/34/71/773903471.db2.gz UODBRSCOKOZGAL-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001110126434 773903479 /nfs/dbraw/zinc/90/34/79/773903479.db2.gz UODBRSCOKOZGAL-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001110126434 773903483 /nfs/dbraw/zinc/90/34/83/773903483.db2.gz UODBRSCOKOZGAL-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098945909 774734128 /nfs/dbraw/zinc/73/41/28/774734128.db2.gz PFFVIOKXSBTSSO-RDJZCZTQSA-N 2 1 300.406 1.186 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098945909 774734131 /nfs/dbraw/zinc/73/41/31/774734131.db2.gz PFFVIOKXSBTSSO-RDJZCZTQSA-N 2 1 300.406 1.186 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099030808 774781193 /nfs/dbraw/zinc/78/11/93/774781193.db2.gz DWXKCBCABRSAIF-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030808 774781198 /nfs/dbraw/zinc/78/11/98/774781198.db2.gz DWXKCBCABRSAIF-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099030808 774781200 /nfs/dbraw/zinc/78/12/00/774781200.db2.gz DWXKCBCABRSAIF-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092548 774825068 /nfs/dbraw/zinc/82/50/68/774825068.db2.gz FOAAHKZXKXVYTC-HKUYNNGSSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099092548 774825073 /nfs/dbraw/zinc/82/50/73/774825073.db2.gz FOAAHKZXKXVYTC-HKUYNNGSSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099298290 774936423 /nfs/dbraw/zinc/93/64/23/774936423.db2.gz KJDSGNMSEXZWHI-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099298290 774936428 /nfs/dbraw/zinc/93/64/28/774936428.db2.gz KJDSGNMSEXZWHI-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099298290 774936434 /nfs/dbraw/zinc/93/64/34/774936434.db2.gz KJDSGNMSEXZWHI-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100077043 775650402 /nfs/dbraw/zinc/65/04/02/775650402.db2.gz WZWMKKIHGWMAGH-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC001094436627 775872166 /nfs/dbraw/zinc/87/21/66/775872166.db2.gz ABQBVZNXLBVZPW-LZLYRXPVSA-N 2 1 321.440 1.414 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCF)CC2 ZINC001094436627 775872174 /nfs/dbraw/zinc/87/21/74/775872174.db2.gz ABQBVZNXLBVZPW-LZLYRXPVSA-N 2 1 321.440 1.414 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCF)CC2 ZINC001094436627 775872180 /nfs/dbraw/zinc/87/21/80/775872180.db2.gz ABQBVZNXLBVZPW-LZLYRXPVSA-N 2 1 321.440 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCF)CC2 ZINC001094436627 775872187 /nfs/dbraw/zinc/87/21/87/775872187.db2.gz ABQBVZNXLBVZPW-LZLYRXPVSA-N 2 1 321.440 1.414 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094578913 776053972 /nfs/dbraw/zinc/05/39/72/776053972.db2.gz APFWZPMHBSKDGO-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094578913 776053980 /nfs/dbraw/zinc/05/39/80/776053980.db2.gz APFWZPMHBSKDGO-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094578913 776053987 /nfs/dbraw/zinc/05/39/87/776053987.db2.gz APFWZPMHBSKDGO-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCF)C2)CC1 ZINC001036902760 776076705 /nfs/dbraw/zinc/07/67/05/776076705.db2.gz PMADKSGCVKYHEJ-IAGOWNOFSA-N 2 1 321.440 1.224 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100407849 776110942 /nfs/dbraw/zinc/11/09/42/776110942.db2.gz LXHXJFGHSYOUMZ-YMAMQOFZSA-N 2 1 302.422 1.821 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001171757009 776446453 /nfs/dbraw/zinc/44/64/53/776446453.db2.gz DYOAHSGGUIUXQJ-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172966573 776944998 /nfs/dbraw/zinc/94/49/98/776944998.db2.gz ONBXEHZDRIETPL-CABCVRRESA-N 2 1 322.453 1.962 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015868 777797220 /nfs/dbraw/zinc/79/72/20/777797220.db2.gz UKUXHXATCWNKRW-BZUAXINKSA-N 2 1 311.445 1.374 20 30 DDEDMP C[NH+]1CCN(c2ccc(NC3=CCC[N@@H+](C)C3)cc2C#N)CC1 ZINC001175579743 777846112 /nfs/dbraw/zinc/84/61/12/777846112.db2.gz QIJLLFNYRGLWKV-UHFFFAOYSA-N 2 1 311.433 1.941 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001176071006 778011752 /nfs/dbraw/zinc/01/17/52/778011752.db2.gz BBYOPGHORNTRJF-MRXNPFEDSA-N 2 1 300.406 1.106 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368430 778099807 /nfs/dbraw/zinc/09/98/07/778099807.db2.gz SWZSCKRPKLCHNB-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368430 778099819 /nfs/dbraw/zinc/09/98/19/778099819.db2.gz SWZSCKRPKLCHNB-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC[C@H]2C)[C@H](C)C1 ZINC001102368430 778099833 /nfs/dbraw/zinc/09/98/33/778099833.db2.gz SWZSCKRPKLCHNB-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102433740 778138015 /nfs/dbraw/zinc/13/80/15/778138015.db2.gz DRSHUXMSVDPXLF-NVXWUHKLSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102598995 778231363 /nfs/dbraw/zinc/23/13/63/778231363.db2.gz JQRVUECYFBKSDF-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103088118 778630674 /nfs/dbraw/zinc/63/06/74/778630674.db2.gz WEJYSVHEXCXSKR-DJIMGWMZSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368421 778824177 /nfs/dbraw/zinc/82/41/77/778824177.db2.gz VQANMBMNPGKMGU-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103368421 778824184 /nfs/dbraw/zinc/82/41/84/778824184.db2.gz VQANMBMNPGKMGU-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103368421 778824190 /nfs/dbraw/zinc/82/41/90/778824190.db2.gz VQANMBMNPGKMGU-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178689352 779140720 /nfs/dbraw/zinc/14/07/20/779140720.db2.gz QSIUCFVPDGJXOG-ULQDDVLXSA-N 2 1 321.465 1.088 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811417 779181101 /nfs/dbraw/zinc/18/11/01/779181101.db2.gz VGWSKCLLTJMKLL-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811417 779181104 /nfs/dbraw/zinc/18/11/04/779181104.db2.gz VGWSKCLLTJMKLL-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001178926367 779215988 /nfs/dbraw/zinc/21/59/88/779215988.db2.gz SKJILOYAQSZEGD-ULQDDVLXSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396956 779357180 /nfs/dbraw/zinc/35/71/80/779357180.db2.gz YEKBHIKBUWFOCU-ULQDDVLXSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396956 779357185 /nfs/dbraw/zinc/35/71/85/779357185.db2.gz YEKBHIKBUWFOCU-ULQDDVLXSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267168778 837455290 /nfs/dbraw/zinc/45/52/90/837455290.db2.gz WWJNQYULQZFCAR-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001267175626 837472004 /nfs/dbraw/zinc/47/20/04/837472004.db2.gz XCMCLRNOHMACLM-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC[C@@H](C)F)C1CC1 ZINC001267327754 837834954 /nfs/dbraw/zinc/83/49/54/837834954.db2.gz ZBWAETKYQXXBET-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC[C@@H](C)F)C1CC1 ZINC001267327754 837834963 /nfs/dbraw/zinc/83/49/63/837834963.db2.gz ZBWAETKYQXXBET-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC[C@@H](C)F)C1CC1 ZINC001267327754 837834971 /nfs/dbraw/zinc/83/49/71/837834971.db2.gz ZBWAETKYQXXBET-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC[C@@H](C)F)C1CC1 ZINC001267327754 837834939 /nfs/dbraw/zinc/83/49/39/837834939.db2.gz ZBWAETKYQXXBET-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](CC[C@@H](C)F)C1CC1 ZINC001267327754 837834929 /nfs/dbraw/zinc/83/49/29/837834929.db2.gz ZBWAETKYQXXBET-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266499286 836351523 /nfs/dbraw/zinc/35/15/23/836351523.db2.gz WJFDOJJJBULMLP-IXDOHACOSA-N 2 1 323.481 1.450 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266499286 836351535 /nfs/dbraw/zinc/35/15/35/836351535.db2.gz WJFDOJJJBULMLP-IXDOHACOSA-N 2 1 323.481 1.450 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266540038 836439912 /nfs/dbraw/zinc/43/99/12/836439912.db2.gz NRLBYRIOCFYWFI-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001266579780 836491814 /nfs/dbraw/zinc/49/18/14/836491814.db2.gz YICSFEZJGHHJIZ-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266965914 837125103 /nfs/dbraw/zinc/12/51/03/837125103.db2.gz XUZZULWHUCPIBE-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCC=C)C2)CC1 ZINC001267114298 837374959 /nfs/dbraw/zinc/37/49/59/837374959.db2.gz COUVEBVVURNQJU-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001267496014 838181221 /nfs/dbraw/zinc/18/12/21/838181221.db2.gz KDAPYWFLJFQPSG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267496014 838181227 /nfs/dbraw/zinc/18/12/27/838181227.db2.gz KDAPYWFLJFQPSG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267496014 838181232 /nfs/dbraw/zinc/18/12/32/838181232.db2.gz KDAPYWFLJFQPSG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267496014 838181237 /nfs/dbraw/zinc/18/12/37/838181237.db2.gz KDAPYWFLJFQPSG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001268199454 839831041 /nfs/dbraw/zinc/83/10/41/839831041.db2.gz HKMQKOIPMMTNQH-UHFFFAOYSA-N 2 1 302.422 1.536 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@@H]1CCCO1 ZINC001268459269 840231694 /nfs/dbraw/zinc/23/16/94/840231694.db2.gz RCIIKYSFVFQCJN-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@@H]1CCCO1 ZINC001268459269 840231708 /nfs/dbraw/zinc/23/17/08/840231708.db2.gz RCIIKYSFVFQCJN-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001268793771 840821616 /nfs/dbraw/zinc/82/16/16/840821616.db2.gz YAWZYPGDSTUQER-HNNXBMFYSA-N 2 1 304.438 1.858 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001269252269 841425144 /nfs/dbraw/zinc/42/51/44/841425144.db2.gz WTUBHTLHWMQYKG-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001270331410 842494566 /nfs/dbraw/zinc/49/45/66/842494566.db2.gz CBOPXKFYFAAVDD-QGZVFWFLSA-N 2 1 301.434 1.030 20 30 DDEDMP C=C[C@@](C)(O)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001143139685 861388895 /nfs/dbraw/zinc/38/88/95/861388895.db2.gz AGWCVINFIUXXKS-DOTOQJQBSA-N 2 1 311.470 1.188 20 30 DDEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001272692853 846633603 /nfs/dbraw/zinc/63/36/03/846633603.db2.gz YJZDCFZYGPUGCH-HNNXBMFYSA-N 2 1 310.401 1.792 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204299 848094082 /nfs/dbraw/zinc/09/40/82/848094082.db2.gz LONZWXDCSHDRTO-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204299 848094077 /nfs/dbraw/zinc/09/40/77/848094077.db2.gz LONZWXDCSHDRTO-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364148 848415381 /nfs/dbraw/zinc/41/53/81/848415381.db2.gz RRXTVWBVBMEVPD-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364148 848415386 /nfs/dbraw/zinc/41/53/86/848415386.db2.gz RRXTVWBVBMEVPD-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364148 848415393 /nfs/dbraw/zinc/41/53/93/848415393.db2.gz RRXTVWBVBMEVPD-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364148 848415397 /nfs/dbraw/zinc/41/53/97/848415397.db2.gz RRXTVWBVBMEVPD-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034365565 848421413 /nfs/dbraw/zinc/42/14/13/848421413.db2.gz CKSOXJSKFLBFAN-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365565 848421416 /nfs/dbraw/zinc/42/14/16/848421416.db2.gz CKSOXJSKFLBFAN-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365565 848421420 /nfs/dbraw/zinc/42/14/20/848421420.db2.gz CKSOXJSKFLBFAN-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034433841 848521122 /nfs/dbraw/zinc/52/11/22/848521122.db2.gz HDKJQPLGCVNYBB-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034433841 848521132 /nfs/dbraw/zinc/52/11/32/848521132.db2.gz HDKJQPLGCVNYBB-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433841 848521135 /nfs/dbraw/zinc/52/11/35/848521135.db2.gz HDKJQPLGCVNYBB-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433841 848521145 /nfs/dbraw/zinc/52/11/45/848521145.db2.gz HDKJQPLGCVNYBB-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCN1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144604 848566252 /nfs/dbraw/zinc/56/62/52/848566252.db2.gz RTYBURHSRVDOQH-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149861030 861947341 /nfs/dbraw/zinc/94/73/41/861947341.db2.gz LUZXIINFWKEBBD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149861030 861947356 /nfs/dbraw/zinc/94/73/56/861947356.db2.gz LUZXIINFWKEBBD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149861030 861947369 /nfs/dbraw/zinc/94/73/69/861947369.db2.gz LUZXIINFWKEBBD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001319887901 852147972 /nfs/dbraw/zinc/14/79/72/852147972.db2.gz KCCVHNWURYWZPA-QGZVFWFLSA-N 2 1 307.482 1.766 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001274490931 852324031 /nfs/dbraw/zinc/32/40/31/852324031.db2.gz ZDUTYRJKSRDKKH-BQYQJAHWSA-N 2 1 313.445 1.642 20 30 DDEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC001327655818 862353738 /nfs/dbraw/zinc/35/37/38/862353738.db2.gz HCLXNGSBEVWWDR-GJZGRUSLSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274924697 852687179 /nfs/dbraw/zinc/68/71/79/852687179.db2.gz VRYXEVITJIDGLM-JKSUJKDBSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001275185528 852875058 /nfs/dbraw/zinc/87/50/58/852875058.db2.gz WTLLOXGGDKZJPK-HOCLYGCPSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001275185528 852875064 /nfs/dbraw/zinc/87/50/64/852875064.db2.gz WTLLOXGGDKZJPK-HOCLYGCPSA-N 2 1 305.466 1.615 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cccc(C#N)n1)C2 ZINC001275605448 853425552 /nfs/dbraw/zinc/42/55/52/853425552.db2.gz KKVZYTJMQKXNPQ-UHFFFAOYSA-N 2 1 313.449 1.413 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150778326 862463374 /nfs/dbraw/zinc/46/33/74/862463374.db2.gz KTAVEDBEUCYMCO-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150780146 862464090 /nfs/dbraw/zinc/46/40/90/862464090.db2.gz ZIOBEXBSXRUZRZ-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001275851374 853870418 /nfs/dbraw/zinc/87/04/18/853870418.db2.gz VXJPVNTZSYGIMU-RDJZCZTQSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001275851374 853870425 /nfs/dbraw/zinc/87/04/25/853870425.db2.gz VXJPVNTZSYGIMU-RDJZCZTQSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001276326067 855661582 /nfs/dbraw/zinc/66/15/82/855661582.db2.gz FJGRROHNCQJJBB-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001276326067 855661584 /nfs/dbraw/zinc/66/15/84/855661584.db2.gz FJGRROHNCQJJBB-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072729348 857644900 /nfs/dbraw/zinc/64/49/00/857644900.db2.gz YIOHZKLJMUYFET-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072729348 857644907 /nfs/dbraw/zinc/64/49/07/857644907.db2.gz YIOHZKLJMUYFET-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072729348 857644912 /nfs/dbraw/zinc/64/49/12/857644912.db2.gz YIOHZKLJMUYFET-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC001072813211 857740632 /nfs/dbraw/zinc/74/06/32/857740632.db2.gz IPORDVAELRSBHX-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813211 857740637 /nfs/dbraw/zinc/74/06/37/857740637.db2.gz IPORDVAELRSBHX-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813211 857740642 /nfs/dbraw/zinc/74/06/42/857740642.db2.gz IPORDVAELRSBHX-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983331 857966582 /nfs/dbraw/zinc/96/65/82/857966582.db2.gz RXRDNVJPHFMTBU-HNNXBMFYSA-N 2 1 314.433 1.474 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983331 857966591 /nfs/dbraw/zinc/96/65/91/857966591.db2.gz RXRDNVJPHFMTBU-HNNXBMFYSA-N 2 1 314.433 1.474 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077019 858072616 /nfs/dbraw/zinc/07/26/16/858072616.db2.gz BEQMLZXVNPJPGN-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087416 858084990 /nfs/dbraw/zinc/08/49/90/858084990.db2.gz STXZMSNUEQCEIA-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073430885 858330980 /nfs/dbraw/zinc/33/09/80/858330980.db2.gz NDZJFGOKRNSNRI-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073430885 858330990 /nfs/dbraw/zinc/33/09/90/858330990.db2.gz NDZJFGOKRNSNRI-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[NH2+]CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001122119175 858689906 /nfs/dbraw/zinc/68/99/06/858689906.db2.gz KRYFTBVJEWJHKE-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001157098605 863573546 /nfs/dbraw/zinc/57/35/46/863573546.db2.gz OBIQXUKCVUDDJN-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC#CCOC)CC[N@H+]1C ZINC001153501824 863917596 /nfs/dbraw/zinc/91/75/96/863917596.db2.gz SVYRFVSZMNWLIQ-IXDOHACOSA-N 2 1 323.481 1.193 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC)CC[NH+]1C ZINC001153501824 863917607 /nfs/dbraw/zinc/91/76/07/863917607.db2.gz SVYRFVSZMNWLIQ-IXDOHACOSA-N 2 1 323.481 1.193 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC)CC[NH+]1C ZINC001153501824 863917621 /nfs/dbraw/zinc/91/76/21/863917621.db2.gz SVYRFVSZMNWLIQ-IXDOHACOSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001330361617 864274442 /nfs/dbraw/zinc/27/44/42/864274442.db2.gz AUCYMPIADPWTAE-FJIDUMEYSA-N 2 1 319.493 1.977 20 30 DDEDMP CC[C@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001158128786 864445954 /nfs/dbraw/zinc/44/59/54/864445954.db2.gz KZMYUMHEGUBOPY-IAGOWNOFSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001332312171 865750925 /nfs/dbraw/zinc/75/09/25/865750925.db2.gz WSRYUURJAJWHEN-CVEARBPZSA-N 2 1 316.449 1.904 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001323080065 866319610 /nfs/dbraw/zinc/31/96/10/866319610.db2.gz FMWPSUMUYZXBET-IAGOWNOFSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161133430 866398004 /nfs/dbraw/zinc/39/80/04/866398004.db2.gz IORUYNQHHIBQOH-QGZVFWFLSA-N 2 1 305.466 1.734 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001320113172 866486086 /nfs/dbraw/zinc/48/60/86/866486086.db2.gz XAUPHBWMPZFQCP-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)C1 ZINC001333216782 866527768 /nfs/dbraw/zinc/52/77/68/866527768.db2.gz ZAQBSSCKORALNK-DLBZAZTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)C1 ZINC001333216782 866527780 /nfs/dbraw/zinc/52/77/80/866527780.db2.gz ZAQBSSCKORALNK-DLBZAZTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)CCC)C2)C1 ZINC001333216782 866527787 /nfs/dbraw/zinc/52/77/87/866527787.db2.gz ZAQBSSCKORALNK-DLBZAZTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)CCC)C2)C1 ZINC001333216782 866527794 /nfs/dbraw/zinc/52/77/94/866527794.db2.gz ZAQBSSCKORALNK-DLBZAZTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001333384567 866693284 /nfs/dbraw/zinc/69/32/84/866693284.db2.gz BBYKZDNGENENDJ-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001333384567 866693293 /nfs/dbraw/zinc/69/32/93/866693293.db2.gz BBYKZDNGENENDJ-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC1=CC[NH+](CC#CCOC)CC1 ZINC001161645528 866834813 /nfs/dbraw/zinc/83/48/13/866834813.db2.gz KEJVAJGSORKNBV-UHFFFAOYSA-N 2 1 321.465 1.116 20 30 DDEDMP CC[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC#CCOC)CC1 ZINC001161645528 866834817 /nfs/dbraw/zinc/83/48/17/866834817.db2.gz KEJVAJGSORKNBV-UHFFFAOYSA-N 2 1 321.465 1.116 20 30 DDEDMP CC[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC#CCOC)CC1 ZINC001161645528 866834833 /nfs/dbraw/zinc/83/48/33/866834833.db2.gz KEJVAJGSORKNBV-UHFFFAOYSA-N 2 1 321.465 1.116 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161879144 867061645 /nfs/dbraw/zinc/06/16/45/867061645.db2.gz GXSUISQCGQLBRF-UHFFFAOYSA-N 2 1 321.465 1.423 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001324463255 867292159 /nfs/dbraw/zinc/29/21/59/867292159.db2.gz BUXSUPVXKIGCHY-CVEARBPZSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001324463255 867292164 /nfs/dbraw/zinc/29/21/64/867292164.db2.gz BUXSUPVXKIGCHY-CVEARBPZSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324727063 867480236 /nfs/dbraw/zinc/48/02/36/867480236.db2.gz DYKNCJYLEFXVJK-SJLPKXTDSA-N 2 1 305.466 1.711 20 30 DDEDMP Cc1cc(NCCC[NH+](C)C)c(C#N)c(NCCC[NH+](C)C)[nH+]1 ZINC001336440195 868944688 /nfs/dbraw/zinc/94/46/88/868944688.db2.gz XXIOTBIUTBVXBB-UHFFFAOYSA-N 3 1 318.469 1.989 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001336756280 869125673 /nfs/dbraw/zinc/12/56/73/869125673.db2.gz LQHGYBLRBRFLLT-IRXDYDNUSA-N 2 1 323.481 1.912 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001317256370 870545477 /nfs/dbraw/zinc/54/54/77/870545477.db2.gz LLMJEOHEOSTPNP-RDJZCZTQSA-N 2 1 303.450 1.679 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001317256370 870545484 /nfs/dbraw/zinc/54/54/84/870545484.db2.gz LLMJEOHEOSTPNP-RDJZCZTQSA-N 2 1 303.450 1.679 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317433198 870825633 /nfs/dbraw/zinc/82/56/33/870825633.db2.gz DQSOJQDEULTGAU-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317433198 870825640 /nfs/dbraw/zinc/82/56/40/870825640.db2.gz DQSOJQDEULTGAU-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317433198 870825649 /nfs/dbraw/zinc/82/56/49/870825649.db2.gz DQSOJQDEULTGAU-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317528063 870998060 /nfs/dbraw/zinc/99/80/60/870998060.db2.gz GNUPSQNJAJWXPH-RHSMWYFYSA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317528063 870998071 /nfs/dbraw/zinc/99/80/71/870998071.db2.gz GNUPSQNJAJWXPH-RHSMWYFYSA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317528063 870998079 /nfs/dbraw/zinc/99/80/79/870998079.db2.gz GNUPSQNJAJWXPH-RHSMWYFYSA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317528065 870999838 /nfs/dbraw/zinc/99/98/38/870999838.db2.gz GNUPSQNJAJWXPH-YOEHRIQHSA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317528065 870999842 /nfs/dbraw/zinc/99/98/42/870999842.db2.gz GNUPSQNJAJWXPH-YOEHRIQHSA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317528065 870999847 /nfs/dbraw/zinc/99/98/47/870999847.db2.gz GNUPSQNJAJWXPH-YOEHRIQHSA-N 2 1 311.445 1.823 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461489 871566715 /nfs/dbraw/zinc/56/67/15/871566715.db2.gz KRSDVNBYEVKRBS-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP N#Cc1ccn2ncc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)c2c1 ZINC001205591063 871646773 /nfs/dbraw/zinc/64/67/73/871646773.db2.gz CSQAZPNIZSFVQS-MRXNPFEDSA-N 2 1 301.369 1.859 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317970487 871661007 /nfs/dbraw/zinc/66/10/07/871661007.db2.gz CWZKNIOJNYPMSN-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001206301004 872193284 /nfs/dbraw/zinc/19/32/84/872193284.db2.gz IBUIDHUAQCLZLQ-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206602531 872468110 /nfs/dbraw/zinc/46/81/10/872468110.db2.gz GYLUOFVBOXRLSB-UHFFFAOYSA-N 2 1 302.422 1.433 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001206739911 872547152 /nfs/dbraw/zinc/54/71/52/872547152.db2.gz WLGVLYHWRDAEOM-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001206739911 872547167 /nfs/dbraw/zinc/54/71/67/872547167.db2.gz WLGVLYHWRDAEOM-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001206739911 872547178 /nfs/dbraw/zinc/54/71/78/872547178.db2.gz WLGVLYHWRDAEOM-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001206739911 872547186 /nfs/dbraw/zinc/54/71/86/872547186.db2.gz WLGVLYHWRDAEOM-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334496 874022699 /nfs/dbraw/zinc/02/26/99/874022699.db2.gz JDSMUTUDQRSIJD-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001277176768 882791997 /nfs/dbraw/zinc/79/19/97/882791997.db2.gz BONAZSVHVHQNCB-CQSZACIVSA-N 2 1 302.422 1.568 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208530109 874228125 /nfs/dbraw/zinc/22/81/25/874228125.db2.gz GCUZACAMCJMXCK-BZUAXINKSA-N 2 1 311.470 1.212 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209241882 874753075 /nfs/dbraw/zinc/75/30/75/874753075.db2.gz GOHCDSNXKSKMMD-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209241882 874753079 /nfs/dbraw/zinc/75/30/79/874753079.db2.gz GOHCDSNXKSKMMD-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954300 875178456 /nfs/dbraw/zinc/17/84/56/875178456.db2.gz WKADPXVOYZRYAW-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227308358 882964491 /nfs/dbraw/zinc/96/44/91/882964491.db2.gz USWONCZKEKCGSZ-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](OC)C1 ZINC001213781857 876055017 /nfs/dbraw/zinc/05/50/17/876055017.db2.gz YEPPKNIHWANNKL-HUUCEWRRSA-N 2 1 306.410 1.042 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215001939 876536969 /nfs/dbraw/zinc/53/69/69/876536969.db2.gz VCZXTWOGCRZPOG-DGCLKSJQSA-N 2 1 301.862 1.906 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801312 877060134 /nfs/dbraw/zinc/06/01/34/877060134.db2.gz LDSOFHOTLIGFQM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801312 877060147 /nfs/dbraw/zinc/06/01/47/877060147.db2.gz LDSOFHOTLIGFQM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP N#C[C@@H]1C[C@@H](Oc2ccccc2C[NH+]2CCC([NH3+])CC2)CN1 ZINC001218339275 877456101 /nfs/dbraw/zinc/45/61/01/877456101.db2.gz GPBSNPOEGPHPLO-JKSUJKDBSA-N 2 1 300.406 1.243 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C1 ZINC001218550913 877560041 /nfs/dbraw/zinc/56/00/41/877560041.db2.gz UBFOLCLGKZUWIQ-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP Cc1cccc(NCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[nH+]1 ZINC001354087677 877744961 /nfs/dbraw/zinc/74/49/61/877744961.db2.gz UEXLKYKSCKPMQU-UUCFBXCCSA-N 2 1 313.405 1.058 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572629 879107072 /nfs/dbraw/zinc/10/70/72/879107072.db2.gz DFQBCOLNWAVVQN-PMPSAXMXSA-N 2 1 311.470 1.090 20 30 DDEDMP O=C(NCCCS)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220588639 879116259 /nfs/dbraw/zinc/11/62/59/879116259.db2.gz WPWXYKQGOHNUAP-OAHLLOKOSA-N 2 1 319.474 1.144 20 30 DDEDMP O=C(NCCCS)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220588639 879116271 /nfs/dbraw/zinc/11/62/71/879116271.db2.gz WPWXYKQGOHNUAP-OAHLLOKOSA-N 2 1 319.474 1.144 20 30 DDEDMP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001221194953 879559998 /nfs/dbraw/zinc/55/99/98/879559998.db2.gz XTGMLRLTVIYTKA-HNNXBMFYSA-N 2 1 300.406 1.027 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001223466167 880971650 /nfs/dbraw/zinc/97/16/50/880971650.db2.gz NXIBXYCIZJHZTQ-HNNXBMFYSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522651 880989480 /nfs/dbraw/zinc/98/94/80/880989480.db2.gz VZZHBPYWEXXMQT-SJORKVTESA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522651 880989494 /nfs/dbraw/zinc/98/94/94/880989494.db2.gz VZZHBPYWEXXMQT-SJORKVTESA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223522651 880989511 /nfs/dbraw/zinc/98/95/11/880989511.db2.gz VZZHBPYWEXXMQT-SJORKVTESA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+](C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001277448362 884366450 /nfs/dbraw/zinc/36/64/50/884366450.db2.gz ZQZLHUFNLIYRNQ-IYBDPMFKSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001277448362 884366466 /nfs/dbraw/zinc/36/64/66/884366466.db2.gz ZQZLHUFNLIYRNQ-IYBDPMFKSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001277448362 884366484 /nfs/dbraw/zinc/36/64/84/884366484.db2.gz ZQZLHUFNLIYRNQ-IYBDPMFKSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612942 884651742 /nfs/dbraw/zinc/65/17/42/884651742.db2.gz IGDFNZNVRFHZDU-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612942 884651756 /nfs/dbraw/zinc/65/17/56/884651756.db2.gz IGDFNZNVRFHZDU-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612942 884651771 /nfs/dbraw/zinc/65/17/71/884651771.db2.gz IGDFNZNVRFHZDU-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230923137 885053027 /nfs/dbraw/zinc/05/30/27/885053027.db2.gz DSBOEZUYDIVKKJ-UHFFFAOYSA-N 2 1 314.433 1.119 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230923137 885053036 /nfs/dbraw/zinc/05/30/36/885053036.db2.gz DSBOEZUYDIVKKJ-UHFFFAOYSA-N 2 1 314.433 1.119 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@H]3C[C@]32C(=O)NC2(C#N)CCC2)CC1 ZINC001277796224 887173457 /nfs/dbraw/zinc/17/34/57/887173457.db2.gz BHIHNJKQOFVQLP-MAUKXSAKSA-N 2 1 316.449 1.355 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001277865808 888104319 /nfs/dbraw/zinc/10/43/19/888104319.db2.gz JCSDEFHGJJUBPP-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCCC[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001235269903 888518332 /nfs/dbraw/zinc/51/83/32/888518332.db2.gz DUIFIJODYWEJGS-UONOGXRCSA-N 2 1 320.355 1.970 20 30 DDEDMP C=CCCC[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001235269903 888518347 /nfs/dbraw/zinc/51/83/47/888518347.db2.gz DUIFIJODYWEJGS-UONOGXRCSA-N 2 1 320.355 1.970 20 30 DDEDMP N#Cc1cccc(N2C[C@@]3(CC[N@H+](CCCC[NH3+])C3)CC2=O)c1 ZINC001235631345 888821409 /nfs/dbraw/zinc/82/14/09/888821409.db2.gz BKTRCSUENQCWMX-SFHVURJKSA-N 2 1 312.417 1.726 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001278690108 895594418 /nfs/dbraw/zinc/59/44/18/895594418.db2.gz NXMSXOREWBIUFZ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001264108623 900941266 /nfs/dbraw/zinc/94/12/66/900941266.db2.gz OOBDYSDULOMRAC-UHFFFAOYSA-N 2 1 323.481 1.291 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265494983 902070950 /nfs/dbraw/zinc/07/09/50/902070950.db2.gz XOPNIWSPODJPKE-RBSFLKMASA-N 2 1 300.406 1.014 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266219892 903135291 /nfs/dbraw/zinc/13/52/91/903135291.db2.gz KLUXOWYEISYQFQ-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cc2ncc[nH]2)CC1 ZINC001280759098 903998946 /nfs/dbraw/zinc/99/89/46/903998946.db2.gz JJQJELLLXRJMFG-CQSZACIVSA-N 2 1 306.410 1.126 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001280961851 904248503 /nfs/dbraw/zinc/24/85/03/904248503.db2.gz LGZPOTDITWTWGO-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001280961851 904248520 /nfs/dbraw/zinc/24/85/20/904248520.db2.gz LGZPOTDITWTWGO-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001281210958 904568170 /nfs/dbraw/zinc/56/81/70/904568170.db2.gz AIMWDHORVAJMRJ-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001282676971 905940592 /nfs/dbraw/zinc/94/05/92/905940592.db2.gz WOENFGZDSAMHBG-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001282676971 905940611 /nfs/dbraw/zinc/94/06/11/905940611.db2.gz WOENFGZDSAMHBG-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001282676971 905940630 /nfs/dbraw/zinc/94/06/30/905940630.db2.gz WOENFGZDSAMHBG-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CCc3nccn3C)CCC[C@H]12 ZINC001284055772 908404922 /nfs/dbraw/zinc/40/49/22/908404922.db2.gz CAVXDCAGXMKWFR-WMLDXEAASA-N 2 1 300.406 1.099 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000151030556 539197150 /nfs/dbraw/zinc/19/71/50/539197150.db2.gz ZWTAKJKBISPMFO-HOCLYGCPSA-N 2 1 324.469 1.045 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000151030556 539197152 /nfs/dbraw/zinc/19/71/52/539197152.db2.gz ZWTAKJKBISPMFO-HOCLYGCPSA-N 2 1 324.469 1.045 20 30 DDEDMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000592185120 355528743 /nfs/dbraw/zinc/52/87/43/355528743.db2.gz SHRAADRBUFDRKF-IAGOWNOFSA-N 2 1 314.433 1.740 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000594444266 356218315 /nfs/dbraw/zinc/21/83/15/356218315.db2.gz NMKAZSAXBHCYDQ-JKSUJKDBSA-N 2 1 318.396 1.710 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CC#N)CC1 ZINC000596693459 356954271 /nfs/dbraw/zinc/95/42/71/356954271.db2.gz VPPLJIBBPPIRFP-HNNXBMFYSA-N 2 1 323.485 1.594 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CC#N)CC1 ZINC000596693459 356954273 /nfs/dbraw/zinc/95/42/73/356954273.db2.gz VPPLJIBBPPIRFP-HNNXBMFYSA-N 2 1 323.485 1.594 20 30 DDEDMP C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000329719028 223019030 /nfs/dbraw/zinc/01/90/30/223019030.db2.gz ZUPOLEDMWXBZFO-CABCVRRESA-N 2 1 324.469 1.109 20 30 DDEDMP C[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000329719028 223019032 /nfs/dbraw/zinc/01/90/32/223019032.db2.gz ZUPOLEDMWXBZFO-CABCVRRESA-N 2 1 324.469 1.109 20 30 DDEDMP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602525001 359026245 /nfs/dbraw/zinc/02/62/45/359026245.db2.gz PQLKYPGQPUFTCH-RDJZCZTQSA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602525001 359026249 /nfs/dbraw/zinc/02/62/49/359026249.db2.gz PQLKYPGQPUFTCH-RDJZCZTQSA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876050 407356475 /nfs/dbraw/zinc/35/64/75/407356475.db2.gz OVKVMGLFBPFZIS-AWEZNQCLSA-N 2 1 317.437 1.435 20 30 DDEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171386574 407676024 /nfs/dbraw/zinc/67/60/24/407676024.db2.gz IPKSJHMLJNHQNS-INIZCTEOSA-N 2 1 320.481 1.802 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ncc(C)s1 ZINC000273461892 408210358 /nfs/dbraw/zinc/21/03/58/408210358.db2.gz HSRQDMQLNXIHFZ-YPMHNXCESA-N 2 1 309.483 1.944 20 30 DDEDMP C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000295023365 409308797 /nfs/dbraw/zinc/30/87/97/409308797.db2.gz NWYLZCUDNGSSHN-CQSZACIVSA-N 2 1 308.447 1.696 20 30 DDEDMP C#CC[N@H+](C)CCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000295023365 409308799 /nfs/dbraw/zinc/30/87/99/409308799.db2.gz NWYLZCUDNGSSHN-CQSZACIVSA-N 2 1 308.447 1.696 20 30 DDEDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000330452003 410703364 /nfs/dbraw/zinc/70/33/64/410703364.db2.gz YYHREEGNHVGCCG-ZDUSSCGKSA-N 2 1 318.396 1.512 20 30 DDEDMP C[N@H+]1CC[C@]2(CCN(CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000366532245 418486393 /nfs/dbraw/zinc/48/63/93/418486393.db2.gz BWRQXICFCQFWHT-INIZCTEOSA-N 2 1 318.446 1.976 20 30 DDEDMP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000366532245 418486399 /nfs/dbraw/zinc/48/63/99/418486399.db2.gz BWRQXICFCQFWHT-INIZCTEOSA-N 2 1 318.446 1.976 20 30 DDEDMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000366532245 418486403 /nfs/dbraw/zinc/48/64/03/418486403.db2.gz BWRQXICFCQFWHT-INIZCTEOSA-N 2 1 318.446 1.976 20 30 DDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1ccon1 ZINC000261655173 222252603 /nfs/dbraw/zinc/25/26/03/222252603.db2.gz AKMBXFJDDUXMJM-CQSZACIVSA-N 2 1 311.455 1.119 20 30 DDEDMP CC[NH+]=C(NCc1nc(C)cs1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261932492 222261611 /nfs/dbraw/zinc/26/16/11/222261611.db2.gz BSQYLDWZIJNAJN-BXUZGUMPSA-N 2 1 321.494 1.989 20 30 DDEDMP CC[NH+]=C(NCc1scnc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261942689 222262629 /nfs/dbraw/zinc/26/26/29/222262629.db2.gz DWFWVZTUIAXARB-SMDDNHRTSA-N 2 1 321.494 1.989 20 30 DDEDMP CCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000264149475 222326619 /nfs/dbraw/zinc/32/66/19/222326619.db2.gz YTLIFUWKMIHWPP-HNNXBMFYSA-N 2 1 304.438 1.974 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000264276998 222330722 /nfs/dbraw/zinc/33/07/22/222330722.db2.gz MXWCMZQRMHUXFV-GFCCVEGCSA-N 2 1 320.437 1.591 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1c2ccccc2O[C@H]1C ZINC000262274733 222274362 /nfs/dbraw/zinc/27/43/62/222274362.db2.gz JDSFIBTVYVHVAT-WOSRLPQWSA-N 2 1 302.422 1.897 20 30 DDEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262306716 222275524 /nfs/dbraw/zinc/27/55/24/222275524.db2.gz AQCRFZBNMJBWGM-MRXNPFEDSA-N 3 1 307.486 1.216 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262306716 222275527 /nfs/dbraw/zinc/27/55/27/222275527.db2.gz AQCRFZBNMJBWGM-MRXNPFEDSA-N 3 1 307.486 1.216 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COC2(CCCC2)O1 ZINC000262447509 222280880 /nfs/dbraw/zinc/28/08/80/222280880.db2.gz VLQOIGYSCYVALN-KGLIPLIRSA-N 2 1 310.442 1.061 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCOC2(CCC2)C1 ZINC000263025807 222301744 /nfs/dbraw/zinc/30/17/44/222301744.db2.gz APSYBEURFBXWRX-CABCVRRESA-N 2 1 308.470 1.724 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(F)c1 ZINC000264076396 222314139 /nfs/dbraw/zinc/31/41/39/222314139.db2.gz FVORKMNRXJCZRG-CYBMUJFWSA-N 2 1 308.401 1.723 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc2c(c1)CCO2 ZINC000267471559 222386948 /nfs/dbraw/zinc/38/69/48/222386948.db2.gz XYBIBAWBCFNWAK-INIZCTEOSA-N 2 1 316.449 1.553 20 30 DDEDMP C=CCN(C(=O)[C@H]([NH3+])COC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376103218 418692869 /nfs/dbraw/zinc/69/28/69/418692869.db2.gz MDQHATWUVSZESA-IAGOWNOFSA-N 2 1 317.433 1.249 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000371480749 418795199 /nfs/dbraw/zinc/79/51/99/418795199.db2.gz QRXAJKNQWRNWNM-GOEBONIOSA-N 2 1 306.454 1.372 20 30 DDEDMP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000443987993 230041130 /nfs/dbraw/zinc/04/11/30/230041130.db2.gz YVOPIZGDJXWHSV-KRWDZBQOSA-N 2 1 314.433 1.544 20 30 DDEDMP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C#N ZINC000443987993 230041133 /nfs/dbraw/zinc/04/11/33/230041133.db2.gz YVOPIZGDJXWHSV-KRWDZBQOSA-N 2 1 314.433 1.544 20 30 DDEDMP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000425536883 420411184 /nfs/dbraw/zinc/41/11/84/420411184.db2.gz PMXVHZPWDWFBLB-OAHLLOKOSA-N 2 1 314.433 1.715 20 30 DDEDMP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000425536883 420411186 /nfs/dbraw/zinc/41/11/86/420411186.db2.gz PMXVHZPWDWFBLB-OAHLLOKOSA-N 2 1 314.433 1.715 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000491658349 421200951 /nfs/dbraw/zinc/20/09/51/421200951.db2.gz VZNUMRMCUKNFRS-MRXNPFEDSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000491658349 421200953 /nfs/dbraw/zinc/20/09/53/421200953.db2.gz VZNUMRMCUKNFRS-MRXNPFEDSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000491658349 421200954 /nfs/dbraw/zinc/20/09/54/421200954.db2.gz VZNUMRMCUKNFRS-MRXNPFEDSA-N 2 1 308.470 1.457 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193652769 277198367 /nfs/dbraw/zinc/19/83/67/277198367.db2.gz KZDAVUIQTSVTNY-SOLBZPMBSA-N 2 1 324.428 1.547 20 30 DDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193652769 277198369 /nfs/dbraw/zinc/19/83/69/277198369.db2.gz KZDAVUIQTSVTNY-SOLBZPMBSA-N 2 1 324.428 1.547 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193652769 277198371 /nfs/dbraw/zinc/19/83/71/277198371.db2.gz KZDAVUIQTSVTNY-SOLBZPMBSA-N 2 1 324.428 1.547 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193652769 277198372 /nfs/dbraw/zinc/19/83/72/277198372.db2.gz KZDAVUIQTSVTNY-SOLBZPMBSA-N 2 1 324.428 1.547 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000566327756 332346396 /nfs/dbraw/zinc/34/63/96/332346396.db2.gz JDSRVQONMNGHAM-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000345715165 526430999 /nfs/dbraw/zinc/43/09/99/526430999.db2.gz MABGHFYNENGMCQ-LSDHHAIUSA-N 2 1 308.470 1.761 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000337196882 526509065 /nfs/dbraw/zinc/50/90/65/526509065.db2.gz XVLXWNGAWJRRCT-CABCVRRESA-N 2 1 302.422 1.462 20 30 DDEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000337196882 526509071 /nfs/dbraw/zinc/50/90/71/526509071.db2.gz XVLXWNGAWJRRCT-CABCVRRESA-N 2 1 302.422 1.462 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000491460584 526812254 /nfs/dbraw/zinc/81/22/54/526812254.db2.gz AFSFUSGRACIXAZ-QGZVFWFLSA-N 2 1 314.433 1.209 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000490680350 526916695 /nfs/dbraw/zinc/91/66/95/526916695.db2.gz ZKAAQKDTPOFYIQ-NVXWUHKLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001120836794 782175181 /nfs/dbraw/zinc/17/51/81/782175181.db2.gz QUJYCAOHRRDKTQ-YTQUADARSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001120836794 782175182 /nfs/dbraw/zinc/17/51/82/782175182.db2.gz QUJYCAOHRRDKTQ-YTQUADARSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001120836794 782175183 /nfs/dbraw/zinc/17/51/83/782175183.db2.gz QUJYCAOHRRDKTQ-YTQUADARSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]23C[NH+](C)C[C@@]2(C1)CCCC3 ZINC001120836794 782175184 /nfs/dbraw/zinc/17/51/84/782175184.db2.gz QUJYCAOHRRDKTQ-YTQUADARSA-N 2 1 315.461 1.418 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980217887 696710778 /nfs/dbraw/zinc/71/07/78/696710778.db2.gz UUQUYNPJZWYROD-XHSDSOJGSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977339767 696120302 /nfs/dbraw/zinc/12/03/02/696120302.db2.gz WRJWXGQNWXJPLT-QGZVFWFLSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977339767 696120304 /nfs/dbraw/zinc/12/03/04/696120304.db2.gz WRJWXGQNWXJPLT-QGZVFWFLSA-N 2 1 313.445 1.822 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978245965 696349764 /nfs/dbraw/zinc/34/97/64/696349764.db2.gz GHGWSEJJTLZYFQ-TVFCKZIOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978245965 696349767 /nfs/dbraw/zinc/34/97/67/696349767.db2.gz GHGWSEJJTLZYFQ-TVFCKZIOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978245965 696349770 /nfs/dbraw/zinc/34/97/70/696349770.db2.gz GHGWSEJJTLZYFQ-TVFCKZIOSA-N 2 1 319.493 1.834 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793831 696459235 /nfs/dbraw/zinc/45/92/35/696459235.db2.gz COFVRHFGHQLFHL-FJIDUMEYSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978793831 696459237 /nfs/dbraw/zinc/45/92/37/696459237.db2.gz COFVRHFGHQLFHL-FJIDUMEYSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978793831 696459238 /nfs/dbraw/zinc/45/92/38/696459238.db2.gz COFVRHFGHQLFHL-FJIDUMEYSA-N 2 1 317.477 1.567 20 30 DDEDMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086884592 696566760 /nfs/dbraw/zinc/56/67/60/696566760.db2.gz MJTAOTTXXDUJHE-CQSZACIVSA-N 2 1 310.511 1.921 20 30 DDEDMP CC[NH+]=C(NCC1CCSCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086884592 696566761 /nfs/dbraw/zinc/56/67/61/696566761.db2.gz MJTAOTTXXDUJHE-CQSZACIVSA-N 2 1 310.511 1.921 20 30 DDEDMP C=C(Br)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000126497885 696762567 /nfs/dbraw/zinc/76/25/67/696762567.db2.gz HXAXFKCPOPTIBB-UHFFFAOYSA-N 2 1 304.276 1.853 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982152268 697043620 /nfs/dbraw/zinc/04/36/20/697043620.db2.gz VNTDTNVVYPHIJW-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982152268 697043622 /nfs/dbraw/zinc/04/36/22/697043622.db2.gz VNTDTNVVYPHIJW-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000982152268 697043624 /nfs/dbraw/zinc/04/36/24/697043624.db2.gz VNTDTNVVYPHIJW-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982152268 697043626 /nfs/dbraw/zinc/04/36/26/697043626.db2.gz VNTDTNVVYPHIJW-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](C(C)C)C[C@]2(C)C1 ZINC000982298533 697087514 /nfs/dbraw/zinc/08/75/14/697087514.db2.gz HLIRRDBILZUUKE-YTQUADARSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982298533 697087516 /nfs/dbraw/zinc/08/75/16/697087516.db2.gz HLIRRDBILZUUKE-YTQUADARSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C(C)C)C[C@]2(C)C1 ZINC000982298533 697087518 /nfs/dbraw/zinc/08/75/18/697087518.db2.gz HLIRRDBILZUUKE-YTQUADARSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](C(C)C)C[C@]2(C)C1 ZINC000982298533 697087520 /nfs/dbraw/zinc/08/75/20/697087520.db2.gz HLIRRDBILZUUKE-YTQUADARSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@]2(C)C1 ZINC000982343758 697106299 /nfs/dbraw/zinc/10/62/99/697106299.db2.gz JQCZUSPPGDQIEA-KDURUIRLSA-N 2 1 322.412 1.752 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccnc3C)C[C@@]2(C)C1 ZINC000982808811 697181212 /nfs/dbraw/zinc/18/12/12/697181212.db2.gz QSJITOLQQOQLJE-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982808811 697181214 /nfs/dbraw/zinc/18/12/14/697181214.db2.gz QSJITOLQQOQLJE-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982808811 697181215 /nfs/dbraw/zinc/18/12/15/697181215.db2.gz QSJITOLQQOQLJE-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000985676682 697554244 /nfs/dbraw/zinc/55/42/44/697554244.db2.gz FXRXZDSSODAEHF-UHFFFAOYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000985676682 697554246 /nfs/dbraw/zinc/55/42/46/697554246.db2.gz FXRXZDSSODAEHF-UHFFFAOYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)C(C)C)CC2)CC1 ZINC000985801164 697576650 /nfs/dbraw/zinc/57/66/50/697576650.db2.gz ALTBQFABFIETEM-UHFFFAOYSA-N 2 1 305.466 1.663 20 30 DDEDMP Cc1ccc([C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)[NH+]2CCCC2)o1 ZINC000262465859 698471092 /nfs/dbraw/zinc/47/10/92/698471092.db2.gz NOXLJNSYRBAYDE-GJZGRUSLSA-N 2 1 320.437 1.760 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303779643 698606246 /nfs/dbraw/zinc/60/62/46/698606246.db2.gz KTCIYLNACZMQLQ-HNNXBMFYSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000303890835 698609988 /nfs/dbraw/zinc/60/99/88/698609988.db2.gz QFCFHXRLLRZXPI-HZPDHXFCSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOCC(F)(F)F ZINC000303908699 698611017 /nfs/dbraw/zinc/61/10/17/698611017.db2.gz XTTLFFGLDDVYAC-NSHDSACASA-N 2 1 310.364 1.344 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304264766 698616750 /nfs/dbraw/zinc/61/67/50/698616750.db2.gz CSULEYIBZXXGIA-OAHLLOKOSA-N 2 1 309.502 1.640 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991864319 699427499 /nfs/dbraw/zinc/42/74/99/699427499.db2.gz VDBGVRBKLILDJF-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991864319 699427502 /nfs/dbraw/zinc/42/75/02/699427502.db2.gz VDBGVRBKLILDJF-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000793237366 699742322 /nfs/dbraw/zinc/74/23/22/699742322.db2.gz LDYORFWWEZMUKS-UHFFFAOYSA-N 2 1 302.422 1.724 20 30 DDEDMP CON=CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000809710345 701682513 /nfs/dbraw/zinc/68/25/13/701682513.db2.gz QPBJMZSHGWWHNW-UHFFFAOYSA-N 2 1 324.469 1.273 20 30 DDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000879575623 706724014 /nfs/dbraw/zinc/72/40/14/706724014.db2.gz NLJGLJNBQBDTCO-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000879575623 706724017 /nfs/dbraw/zinc/72/40/17/706724017.db2.gz NLJGLJNBQBDTCO-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000879575623 706724021 /nfs/dbraw/zinc/72/40/21/706724021.db2.gz NLJGLJNBQBDTCO-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000879575623 706724024 /nfs/dbraw/zinc/72/40/24/706724024.db2.gz NLJGLJNBQBDTCO-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]CC[NH+]1CCSCC1 ZINC000849005576 703609758 /nfs/dbraw/zinc/60/97/58/703609758.db2.gz IFQPMJISKJUGOY-UHFFFAOYSA-N 2 1 306.479 1.743 20 30 DDEDMP N#Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1F ZINC000849115825 703617896 /nfs/dbraw/zinc/61/78/96/703617896.db2.gz BIABVYAUXQSICV-UHFFFAOYSA-N 2 1 319.384 1.034 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000876706685 705828710 /nfs/dbraw/zinc/82/87/10/705828710.db2.gz BWZLUULDHNHTRP-OAHLLOKOSA-N 2 1 307.825 1.801 20 30 DDEDMP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876973611 705944563 /nfs/dbraw/zinc/94/45/63/705944563.db2.gz LTVXIZPVPIZUNM-WBVHZDCISA-N 2 1 312.417 1.346 20 30 DDEDMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876973611 705944566 /nfs/dbraw/zinc/94/45/66/705944566.db2.gz LTVXIZPVPIZUNM-WBVHZDCISA-N 2 1 312.417 1.346 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000877022641 705962120 /nfs/dbraw/zinc/96/21/20/705962120.db2.gz OXKGROCUXOMACG-OAGGEKHMSA-N 2 1 307.438 1.538 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000877022641 705962122 /nfs/dbraw/zinc/96/21/22/705962122.db2.gz OXKGROCUXOMACG-OAGGEKHMSA-N 2 1 307.438 1.538 20 30 DDEDMP C#CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809541 706400562 /nfs/dbraw/zinc/40/05/62/706400562.db2.gz CZABZFXPECJDBZ-REPLKXPHSA-N 2 1 302.462 1.818 20 30 DDEDMP C#CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809541 706400566 /nfs/dbraw/zinc/40/05/66/706400566.db2.gz CZABZFXPECJDBZ-REPLKXPHSA-N 2 1 302.462 1.818 20 30 DDEDMP C#CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+]2CCC[C@@H](CC#C)C2)C1 ZINC000829809541 706400570 /nfs/dbraw/zinc/40/05/70/706400570.db2.gz CZABZFXPECJDBZ-REPLKXPHSA-N 2 1 302.462 1.818 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884188155 708179024 /nfs/dbraw/zinc/17/90/24/708179024.db2.gz AOLYUOWKNFBPEZ-GJEMEMOUSA-N 2 1 304.438 1.116 20 30 DDEDMP C#CCN(C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000897567181 708377180 /nfs/dbraw/zinc/37/71/80/708377180.db2.gz GLMAORZWACQAFL-INIZCTEOSA-N 2 1 320.481 1.457 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)cc1CO ZINC000894497309 711149991 /nfs/dbraw/zinc/14/99/91/711149991.db2.gz WZBSCJUVFALNHL-AWEZNQCLSA-N 2 1 304.438 1.734 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000928651162 713251544 /nfs/dbraw/zinc/25/15/44/713251544.db2.gz PEEKFPKHBYFLHV-QGZVFWFLSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905094503 711934629 /nfs/dbraw/zinc/93/46/29/711934629.db2.gz GDTDQIYHSPDFSU-QZTJIDSGSA-N 2 1 304.434 1.711 20 30 DDEDMP C[N@H+]1CC[C@@H]2CN(CC(=O)NCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000931433989 714096288 /nfs/dbraw/zinc/09/62/88/714096288.db2.gz LTZKTLJEOLIWHA-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000931433989 714096291 /nfs/dbraw/zinc/09/62/91/714096291.db2.gz LTZKTLJEOLIWHA-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000931433989 714096294 /nfs/dbraw/zinc/09/62/94/714096294.db2.gz LTZKTLJEOLIWHA-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000931433989 714096297 /nfs/dbraw/zinc/09/62/97/714096297.db2.gz LTZKTLJEOLIWHA-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000931433989 714096300 /nfs/dbraw/zinc/09/63/00/714096300.db2.gz LTZKTLJEOLIWHA-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000922632043 714105920 /nfs/dbraw/zinc/10/59/20/714105920.db2.gz YHSVJURQCQJCBR-INIZCTEOSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1CC(C)C ZINC000922632043 714105922 /nfs/dbraw/zinc/10/59/22/714105922.db2.gz YHSVJURQCQJCBR-INIZCTEOSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1CC(C)C ZINC000922632043 714105925 /nfs/dbraw/zinc/10/59/25/714105925.db2.gz YHSVJURQCQJCBR-INIZCTEOSA-N 2 1 308.470 1.313 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366222 714329317 /nfs/dbraw/zinc/32/93/17/714329317.db2.gz IFCQMCWGWHXKPZ-AEFFLSMTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366222 714329318 /nfs/dbraw/zinc/32/93/18/714329318.db2.gz IFCQMCWGWHXKPZ-AEFFLSMTSA-N 2 1 315.417 1.373 20 30 DDEDMP C#Cc1ccc(NC(=O)CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000933732742 714657862 /nfs/dbraw/zinc/65/78/62/714657862.db2.gz MOSWQRZYAGGTOM-APWZRJJASA-N 2 1 311.429 1.880 20 30 DDEDMP C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000933732742 714657865 /nfs/dbraw/zinc/65/78/65/714657865.db2.gz MOSWQRZYAGGTOM-APWZRJJASA-N 2 1 311.429 1.880 20 30 DDEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000933732742 714657868 /nfs/dbraw/zinc/65/78/68/714657868.db2.gz MOSWQRZYAGGTOM-APWZRJJASA-N 2 1 311.429 1.880 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966167745 717993520 /nfs/dbraw/zinc/99/35/20/717993520.db2.gz PQEGLHLNBMGREU-GOEBONIOSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000957561180 715953254 /nfs/dbraw/zinc/95/32/54/715953254.db2.gz INENEXZOGRZQFO-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C(C)(C)C1 ZINC000940973961 717055877 /nfs/dbraw/zinc/05/58/77/717055877.db2.gz ZYVXVBUPIGHIHZ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973961 717055879 /nfs/dbraw/zinc/05/58/79/717055879.db2.gz ZYVXVBUPIGHIHZ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973961 717055880 /nfs/dbraw/zinc/05/58/80/717055880.db2.gz ZYVXVBUPIGHIHZ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973961 717055882 /nfs/dbraw/zinc/05/58/82/717055882.db2.gz ZYVXVBUPIGHIHZ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973961 717055883 /nfs/dbraw/zinc/05/58/83/717055883.db2.gz ZYVXVBUPIGHIHZ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067309 717092915 /nfs/dbraw/zinc/09/29/15/717092915.db2.gz AMSHCNSKNFGJIP-OAHLLOKOSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067309 717092918 /nfs/dbraw/zinc/09/29/18/717092918.db2.gz AMSHCNSKNFGJIP-OAHLLOKOSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101610 717480746 /nfs/dbraw/zinc/48/07/46/717480746.db2.gz RNSCGILZHQQHGY-UKRRQHHQSA-N 2 1 319.474 1.883 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942174388 717525118 /nfs/dbraw/zinc/52/51/18/717525118.db2.gz WPBRQGFXBXMRKN-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942302011 717606370 /nfs/dbraw/zinc/60/63/70/717606370.db2.gz IDAPLBHJWVUYBZ-RHSMWYFYSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963391958 717773289 /nfs/dbraw/zinc/77/32/89/717773289.db2.gz WDGLSJHLNMVOKE-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942822688 717879137 /nfs/dbraw/zinc/87/91/37/717879137.db2.gz NGXFMXIFDQWOEP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942822688 717879143 /nfs/dbraw/zinc/87/91/43/717879143.db2.gz NGXFMXIFDQWOEP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942822688 717879149 /nfs/dbraw/zinc/87/91/49/717879149.db2.gz NGXFMXIFDQWOEP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943877091 718213785 /nfs/dbraw/zinc/21/37/85/718213785.db2.gz MBMWSUYCMVSIEQ-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967401578 718871274 /nfs/dbraw/zinc/87/12/74/718871274.db2.gz DPYUPJBTIIQHFV-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967401578 718871279 /nfs/dbraw/zinc/87/12/79/718871279.db2.gz DPYUPJBTIIQHFV-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779954 718906937 /nfs/dbraw/zinc/90/69/37/718906937.db2.gz WQIBFJKXNRWKJS-MWDXBVQZSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779954 718906939 /nfs/dbraw/zinc/90/69/39/718906939.db2.gz WQIBFJKXNRWKJS-MWDXBVQZSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779954 718906941 /nfs/dbraw/zinc/90/69/41/718906941.db2.gz WQIBFJKXNRWKJS-MWDXBVQZSA-N 2 1 305.466 1.541 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC)C[C@H]3CC2)CC1 ZINC000946902626 718939958 /nfs/dbraw/zinc/93/99/58/718939958.db2.gz RWFPGJYEXWCFJN-HDICACEKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908161 719304866 /nfs/dbraw/zinc/30/48/66/719304866.db2.gz PFZILJPFLXQYSU-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000968954576 719896272 /nfs/dbraw/zinc/89/62/72/719896272.db2.gz LUOJHCIYNJFMLL-SJORKVTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC000968954576 719896283 /nfs/dbraw/zinc/89/62/83/719896283.db2.gz LUOJHCIYNJFMLL-SJORKVTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000969118469 719966396 /nfs/dbraw/zinc/96/63/96/719966396.db2.gz PRUZGLHKQKWUQP-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000969864263 720539986 /nfs/dbraw/zinc/53/99/86/720539986.db2.gz AHGCYSNSGOXLCN-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000969864263 720539988 /nfs/dbraw/zinc/53/99/88/720539988.db2.gz AHGCYSNSGOXLCN-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971538571 721347897 /nfs/dbraw/zinc/34/78/97/721347897.db2.gz FBTRILVESAXFME-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971538571 721347901 /nfs/dbraw/zinc/34/79/01/721347901.db2.gz FBTRILVESAXFME-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971538571 721347906 /nfs/dbraw/zinc/34/79/06/721347906.db2.gz FBTRILVESAXFME-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020397263 732316725 /nfs/dbraw/zinc/31/67/25/732316725.db2.gz ZJQMOQKUHZTHOS-QAQDUYKDSA-N 2 1 323.400 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193587 732598176 /nfs/dbraw/zinc/59/81/76/732598176.db2.gz YUWKHJOWTUSQNG-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193587 732598179 /nfs/dbraw/zinc/59/81/79/732598179.db2.gz YUWKHJOWTUSQNG-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@H]2C1 ZINC001083193587 732598182 /nfs/dbraw/zinc/59/81/82/732598182.db2.gz YUWKHJOWTUSQNG-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290503 733286105 /nfs/dbraw/zinc/28/61/05/733286105.db2.gz AVRFMGGOXUYPNM-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114989592 734527016 /nfs/dbraw/zinc/52/70/16/734527016.db2.gz SZMKEWQJJJFBDG-LTIDMASMSA-N 2 1 305.466 1.423 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001121260634 782427924 /nfs/dbraw/zinc/42/79/24/782427924.db2.gz JABALKRNAGBZHB-APUKJBRXSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022747220 734754317 /nfs/dbraw/zinc/75/43/17/734754317.db2.gz ZSTCGWYMMGXMDQ-XDNAFOTISA-N 2 1 311.429 1.202 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001023084658 735031287 /nfs/dbraw/zinc/03/12/87/735031287.db2.gz VPPOWCLJSMYXII-UPJWGTAASA-N 2 1 318.446 1.308 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023291438 735138451 /nfs/dbraw/zinc/13/84/51/735138451.db2.gz HDPXSPQIHHYCCY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023291438 735138453 /nfs/dbraw/zinc/13/84/53/735138453.db2.gz HDPXSPQIHHYCCY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291438 735138454 /nfs/dbraw/zinc/13/84/54/735138454.db2.gz HDPXSPQIHHYCCY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291438 735138457 /nfs/dbraw/zinc/13/84/57/735138457.db2.gz HDPXSPQIHHYCCY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410474 735216130 /nfs/dbraw/zinc/21/61/30/735216130.db2.gz SRCOWKUSYYIEOU-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410474 735216133 /nfs/dbraw/zinc/21/61/33/735216133.db2.gz SRCOWKUSYYIEOU-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410474 735216137 /nfs/dbraw/zinc/21/61/37/735216137.db2.gz SRCOWKUSYYIEOU-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447647 735236144 /nfs/dbraw/zinc/23/61/44/735236144.db2.gz SKNVFEANLZJIFP-CVEARBPZSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023450977 735242842 /nfs/dbraw/zinc/24/28/42/735242842.db2.gz LCUMHJLFSAIXOX-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450977 735242845 /nfs/dbraw/zinc/24/28/45/735242845.db2.gz LCUMHJLFSAIXOX-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450977 735242848 /nfs/dbraw/zinc/24/28/48/735242848.db2.gz LCUMHJLFSAIXOX-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450977 735242850 /nfs/dbraw/zinc/24/28/50/735242850.db2.gz LCUMHJLFSAIXOX-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450977 735242852 /nfs/dbraw/zinc/24/28/52/735242852.db2.gz LCUMHJLFSAIXOX-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023468555 735255544 /nfs/dbraw/zinc/25/55/44/735255544.db2.gz XDPJZUVHSFYIPA-OAHLLOKOSA-N 2 1 310.401 1.799 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001023489866 735270384 /nfs/dbraw/zinc/27/03/84/735270384.db2.gz MOQPKVOYPRQCEQ-HNNXBMFYSA-N 2 1 310.401 1.799 20 30 DDEDMP N#Cc1ccc(CCNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)cc1 ZINC001167678813 735588017 /nfs/dbraw/zinc/58/80/17/735588017.db2.gz YHJKMCBIDUKZBR-UHFFFAOYSA-N 2 1 322.416 1.930 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442621 735830446 /nfs/dbraw/zinc/83/04/46/735830446.db2.gz SYHLIPYNANRMOV-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC#CC ZINC001024486585 735864238 /nfs/dbraw/zinc/86/42/38/735864238.db2.gz BXZKXLBNEKSDKX-IRXDYDNUSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCCN1CC#CC ZINC001024486585 735864243 /nfs/dbraw/zinc/86/42/43/735864243.db2.gz BXZKXLBNEKSDKX-IRXDYDNUSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317621 736081094 /nfs/dbraw/zinc/08/10/94/736081094.db2.gz KPHDFQVVTHSAHC-PVAVHDDUSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087317621 736081099 /nfs/dbraw/zinc/08/10/99/736081099.db2.gz KPHDFQVVTHSAHC-PVAVHDDUSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025239379 736386897 /nfs/dbraw/zinc/38/68/97/736386897.db2.gz DQLIUTCRFBQACI-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239379 736386898 /nfs/dbraw/zinc/38/68/98/736386898.db2.gz DQLIUTCRFBQACI-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239379 736386901 /nfs/dbraw/zinc/38/69/01/736386901.db2.gz DQLIUTCRFBQACI-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444684 738298150 /nfs/dbraw/zinc/29/81/50/738298150.db2.gz ULGKKESOPFWKGY-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444684 738298151 /nfs/dbraw/zinc/29/81/51/738298151.db2.gz ULGKKESOPFWKGY-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035364933 751449571 /nfs/dbraw/zinc/44/95/71/751449571.db2.gz FMRSENDPGBVOCO-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035364933 751449575 /nfs/dbraw/zinc/44/95/75/751449575.db2.gz FMRSENDPGBVOCO-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035364933 751449579 /nfs/dbraw/zinc/44/95/79/751449579.db2.gz FMRSENDPGBVOCO-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001035453861 751501599 /nfs/dbraw/zinc/50/15/99/751501599.db2.gz ZWXQTAIWBSCBTG-INIZCTEOSA-N 2 1 314.389 1.341 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001035453861 751501600 /nfs/dbraw/zinc/50/16/00/751501600.db2.gz ZWXQTAIWBSCBTG-INIZCTEOSA-N 2 1 314.389 1.341 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001029003613 740248551 /nfs/dbraw/zinc/24/85/51/740248551.db2.gz OHKSBZOHISBDNE-MRXNPFEDSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2CC)CC1 ZINC001087840374 740779970 /nfs/dbraw/zinc/77/99/70/740779970.db2.gz VAIOFMQNDMQMCH-JKSUJKDBSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967888 740895245 /nfs/dbraw/zinc/89/52/45/740895245.db2.gz QBUGQNWYYBRKHJ-SQNIBIBYSA-N 2 1 315.461 1.132 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088010816 740945638 /nfs/dbraw/zinc/94/56/38/740945638.db2.gz LKRFSUHCDRSMKH-QLFBSQMISA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088010816 740945639 /nfs/dbraw/zinc/94/56/39/740945639.db2.gz LKRFSUHCDRSMKH-QLFBSQMISA-N 2 1 313.873 1.859 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090666 741020427 /nfs/dbraw/zinc/02/04/27/741020427.db2.gz AQAPXYZTONQIRC-SJORKVTESA-N 2 1 303.450 1.132 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172128 741093098 /nfs/dbraw/zinc/09/30/98/741093098.db2.gz XDAOJYMUPLLYPV-CVEARBPZSA-N 2 1 303.450 1.439 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368973 741437678 /nfs/dbraw/zinc/43/76/78/741437678.db2.gz XRWFCVQZRPZQEO-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368973 741437681 /nfs/dbraw/zinc/43/76/81/741437681.db2.gz XRWFCVQZRPZQEO-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088621078 742017992 /nfs/dbraw/zinc/01/79/92/742017992.db2.gz PDOVZFUFOCAGJZ-ILXRZTDVSA-N 2 1 300.406 1.363 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088621078 742017998 /nfs/dbraw/zinc/01/79/98/742017998.db2.gz PDOVZFUFOCAGJZ-ILXRZTDVSA-N 2 1 300.406 1.363 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605709 742818781 /nfs/dbraw/zinc/81/87/81/742818781.db2.gz OQUFYFIZIHEXGX-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCc3[nH+]ccn31)CC2 ZINC001035721008 751808011 /nfs/dbraw/zinc/80/80/11/751808011.db2.gz QCJXLBGBSZCERG-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035724861 751816055 /nfs/dbraw/zinc/81/60/55/751816055.db2.gz BBXGTWDPNGPORU-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183408983 743832737 /nfs/dbraw/zinc/83/27/37/743832737.db2.gz DYSUMYRSKGNIDU-JFIYKMOQSA-N 2 1 323.481 1.215 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035794219 751882690 /nfs/dbraw/zinc/88/26/90/751882690.db2.gz AOUDAGLQKJNKEY-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641785 744422552 /nfs/dbraw/zinc/42/25/52/744422552.db2.gz VEGOEEASQZOZLT-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(Cl)CN1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035851385 751922345 /nfs/dbraw/zinc/92/23/45/751922345.db2.gz FFGXWIKLSGOGNK-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106119513 744736043 /nfs/dbraw/zinc/73/60/43/744736043.db2.gz CFDRDAQRHQQOPG-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457657 744948066 /nfs/dbraw/zinc/94/80/66/744948066.db2.gz JHSHZYHMDAXINK-QGZVFWFLSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190656359 745286643 /nfs/dbraw/zinc/28/66/43/745286643.db2.gz SJASUVNFVBKNJH-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190656359 745286646 /nfs/dbraw/zinc/28/66/46/745286646.db2.gz SJASUVNFVBKNJH-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190656359 745286648 /nfs/dbraw/zinc/28/66/48/745286648.db2.gz SJASUVNFVBKNJH-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248787 745458708 /nfs/dbraw/zinc/45/87/08/745458708.db2.gz YVIGWMSYLGPIEN-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192425082 745779815 /nfs/dbraw/zinc/77/98/15/745779815.db2.gz FASSCCSJHPQSED-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993479529 746167871 /nfs/dbraw/zinc/16/78/71/746167871.db2.gz MXZYPHQHJWCVIP-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001194245487 746318444 /nfs/dbraw/zinc/31/84/44/746318444.db2.gz AYWPEANJQQBBNV-FAOGRTBUSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCC=C)C2)CC1 ZINC001194246723 746319556 /nfs/dbraw/zinc/31/95/56/746319556.db2.gz QMQAOPVUMBAXHS-KRWDZBQOSA-N 2 1 303.450 1.440 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196185536 746786696 /nfs/dbraw/zinc/78/66/96/746786696.db2.gz XWESHWUICVCVHL-BZUAXINKSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196185536 746786701 /nfs/dbraw/zinc/78/67/01/746786701.db2.gz XWESHWUICVCVHL-BZUAXINKSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196185536 746786706 /nfs/dbraw/zinc/78/67/06/746786706.db2.gz XWESHWUICVCVHL-BZUAXINKSA-N 2 1 323.481 1.234 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384190 747090722 /nfs/dbraw/zinc/09/07/22/747090722.db2.gz NESRNJJYLVTXHJ-HNNXBMFYSA-N 2 1 317.433 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384190 747090731 /nfs/dbraw/zinc/09/07/31/747090731.db2.gz NESRNJJYLVTXHJ-HNNXBMFYSA-N 2 1 317.433 1.949 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089724505 747702362 /nfs/dbraw/zinc/70/23/62/747702362.db2.gz XTFSOQGLOCQBLV-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658444 748318349 /nfs/dbraw/zinc/31/83/49/748318349.db2.gz NCPNDPXAJUGZJO-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201421008 748510141 /nfs/dbraw/zinc/51/01/41/748510141.db2.gz RJMWASNOUKNOOR-HNNXBMFYSA-N 2 1 311.470 1.357 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143858 748535421 /nfs/dbraw/zinc/53/54/21/748535421.db2.gz MWFBDIHQZZTCTD-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143858 748535424 /nfs/dbraw/zinc/53/54/24/748535424.db2.gz MWFBDIHQZZTCTD-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143858 748535426 /nfs/dbraw/zinc/53/54/26/748535426.db2.gz MWFBDIHQZZTCTD-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001032183084 748774144 /nfs/dbraw/zinc/77/41/44/748774144.db2.gz ZKBJRAODSVLFBS-QGZVFWFLSA-N 2 1 312.417 1.058 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110683152 748890933 /nfs/dbraw/zinc/89/09/33/748890933.db2.gz SLRHJVIPBQBWBE-VQHPVUNQSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110683152 748890936 /nfs/dbraw/zinc/89/09/36/748890936.db2.gz SLRHJVIPBQBWBE-VQHPVUNQSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001110683152 748890943 /nfs/dbraw/zinc/89/09/43/748890943.db2.gz SLRHJVIPBQBWBE-VQHPVUNQSA-N 2 1 303.450 1.606 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033210262 748929268 /nfs/dbraw/zinc/92/92/68/748929268.db2.gz FNZVFCYBHOVUCB-CVEARBPZSA-N 2 1 316.449 1.944 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814625 749283313 /nfs/dbraw/zinc/28/33/13/749283313.db2.gz OQBNBTAWVFNJHB-IAGOWNOFSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153814625 749283318 /nfs/dbraw/zinc/28/33/18/749283318.db2.gz OQBNBTAWVFNJHB-IAGOWNOFSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814625 749283323 /nfs/dbraw/zinc/28/33/23/749283323.db2.gz OQBNBTAWVFNJHB-IAGOWNOFSA-N 2 1 307.482 1.814 20 30 DDEDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(OCC#N)cc1 ZINC001137120466 749344319 /nfs/dbraw/zinc/34/43/19/749344319.db2.gz OFWTWPXAGFPPCE-UHFFFAOYSA-N 2 1 302.422 1.268 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996524283 749640463 /nfs/dbraw/zinc/64/04/63/749640463.db2.gz OPCMVTKSTBUNQC-MRXNPFEDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107437072 749956574 /nfs/dbraw/zinc/95/65/74/749956574.db2.gz ZYRUIRNACCGNHO-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001128773826 750086224 /nfs/dbraw/zinc/08/62/24/750086224.db2.gz FQGCYRFMLYEQCU-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001033932259 750143543 /nfs/dbraw/zinc/14/35/43/750143543.db2.gz JZQGACSLEZZNRN-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932259 750143548 /nfs/dbraw/zinc/14/35/48/750143548.db2.gz JZQGACSLEZZNRN-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932259 750143551 /nfs/dbraw/zinc/14/35/51/750143551.db2.gz JZQGACSLEZZNRN-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932259 750143555 /nfs/dbraw/zinc/14/35/55/750143555.db2.gz JZQGACSLEZZNRN-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932259 750143559 /nfs/dbraw/zinc/14/35/59/750143559.db2.gz JZQGACSLEZZNRN-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001033956549 750180468 /nfs/dbraw/zinc/18/04/68/750180468.db2.gz HDFKOYFBSBAELT-BZUAXINKSA-N 2 1 314.433 1.470 20 30 DDEDMP CC#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001033956549 750180473 /nfs/dbraw/zinc/18/04/73/750180473.db2.gz HDFKOYFBSBAELT-BZUAXINKSA-N 2 1 314.433 1.470 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107634182 750282263 /nfs/dbraw/zinc/28/22/63/750282263.db2.gz OFGFPBMUJMZCEX-SJLPKXTDSA-N 2 1 303.450 1.466 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034484756 750490025 /nfs/dbraw/zinc/49/00/25/750490025.db2.gz NQIYOGOZENKFEZ-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460582 762052005 /nfs/dbraw/zinc/05/20/05/762052005.db2.gz WYKXQWHXLXYPPV-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039460582 762052015 /nfs/dbraw/zinc/05/20/15/762052015.db2.gz WYKXQWHXLXYPPV-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001039460582 762052021 /nfs/dbraw/zinc/05/20/21/762052021.db2.gz WYKXQWHXLXYPPV-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589203 750613838 /nfs/dbraw/zinc/61/38/38/750613838.db2.gz SIWFDQPPXBIKMY-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942434 750752527 /nfs/dbraw/zinc/75/25/27/750752527.db2.gz SGGNHLFEXMMDRP-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942434 750752530 /nfs/dbraw/zinc/75/25/30/750752530.db2.gz SGGNHLFEXMMDRP-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942434 750752533 /nfs/dbraw/zinc/75/25/33/750752533.db2.gz SGGNHLFEXMMDRP-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445295 750860147 /nfs/dbraw/zinc/86/01/47/750860147.db2.gz CVRPOEQKRBHTRD-BZSNNMDCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032445295 750860154 /nfs/dbraw/zinc/86/01/54/750860154.db2.gz CVRPOEQKRBHTRD-BZSNNMDCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032445295 750860160 /nfs/dbraw/zinc/86/01/60/750860160.db2.gz CVRPOEQKRBHTRD-BZSNNMDCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001032445295 750860167 /nfs/dbraw/zinc/86/01/67/750860167.db2.gz CVRPOEQKRBHTRD-BZSNNMDCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](C)CC ZINC001032453922 750881107 /nfs/dbraw/zinc/88/11/07/750881107.db2.gz VJAFVZJIBREZOP-QAETUUGQSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)CC ZINC001032453922 750881116 /nfs/dbraw/zinc/88/11/16/750881116.db2.gz VJAFVZJIBREZOP-QAETUUGQSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](C)CC ZINC001032453922 750881124 /nfs/dbraw/zinc/88/11/24/750881124.db2.gz VJAFVZJIBREZOP-QAETUUGQSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@@H](C)CC ZINC001032453922 750881131 /nfs/dbraw/zinc/88/11/31/750881131.db2.gz VJAFVZJIBREZOP-QAETUUGQSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1cnc(C)c1 ZINC001032469587 750945731 /nfs/dbraw/zinc/94/57/31/750945731.db2.gz USTSJBFGBGABAG-GJZGRUSLSA-N 2 1 300.406 1.235 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)n1cnc(C)c1 ZINC001032469587 750945734 /nfs/dbraw/zinc/94/57/34/750945734.db2.gz USTSJBFGBGABAG-GJZGRUSLSA-N 2 1 300.406 1.235 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000682562 762085158 /nfs/dbraw/zinc/08/51/58/762085158.db2.gz JQCSNYRGNWCVLB-ZWKOTPCHSA-N 2 1 315.461 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000682562 762085167 /nfs/dbraw/zinc/08/51/67/762085167.db2.gz JQCSNYRGNWCVLB-ZWKOTPCHSA-N 2 1 315.461 1.632 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC001114738203 751039390 /nfs/dbraw/zinc/03/93/90/751039390.db2.gz DICMBUXWMJVGPG-ZSHCYNCHSA-N 2 1 317.433 1.967 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001114841376 751198808 /nfs/dbraw/zinc/19/88/08/751198808.db2.gz VFQSEJYWKTZDKH-NHAGDIPZSA-N 2 1 313.873 1.763 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114841376 751198811 /nfs/dbraw/zinc/19/88/11/751198811.db2.gz VFQSEJYWKTZDKH-NHAGDIPZSA-N 2 1 313.873 1.763 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114841376 751198816 /nfs/dbraw/zinc/19/88/16/751198816.db2.gz VFQSEJYWKTZDKH-NHAGDIPZSA-N 2 1 313.873 1.763 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114841376 751198819 /nfs/dbraw/zinc/19/88/19/751198819.db2.gz VFQSEJYWKTZDKH-NHAGDIPZSA-N 2 1 313.873 1.763 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095911971 751253647 /nfs/dbraw/zinc/25/36/47/751253647.db2.gz CBLZHZRPVLHMAU-QZWWFDLISA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001095911971 751253650 /nfs/dbraw/zinc/25/36/50/751253650.db2.gz CBLZHZRPVLHMAU-QZWWFDLISA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095911971 751253654 /nfs/dbraw/zinc/25/36/54/751253654.db2.gz CBLZHZRPVLHMAU-QZWWFDLISA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095911971 751253659 /nfs/dbraw/zinc/25/36/59/751253659.db2.gz CBLZHZRPVLHMAU-QZWWFDLISA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108420914 762122816 /nfs/dbraw/zinc/12/28/16/762122816.db2.gz CCIDQOHEKCNOAK-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108420914 762122817 /nfs/dbraw/zinc/12/28/17/762122817.db2.gz CCIDQOHEKCNOAK-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108420914 762122820 /nfs/dbraw/zinc/12/28/20/762122820.db2.gz CCIDQOHEKCNOAK-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008054499 752523239 /nfs/dbraw/zinc/52/32/39/752523239.db2.gz ZPWXMTZXQLUKPN-KRWDZBQOSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008054499 752523246 /nfs/dbraw/zinc/52/32/46/752523246.db2.gz ZPWXMTZXQLUKPN-KRWDZBQOSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001009629735 753289002 /nfs/dbraw/zinc/28/90/02/753289002.db2.gz VCBOGLOSRBLAAB-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108009885 753498117 /nfs/dbraw/zinc/49/81/17/753498117.db2.gz JXPWEDYJWAIACQ-DOTOQJQBSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000843277 762256054 /nfs/dbraw/zinc/25/60/54/762256054.db2.gz VCUBNGNCCHXVQA-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000843277 762256058 /nfs/dbraw/zinc/25/60/58/762256058.db2.gz VCUBNGNCCHXVQA-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000843277 762256062 /nfs/dbraw/zinc/25/60/62/762256062.db2.gz VCUBNGNCCHXVQA-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001000843317 762256551 /nfs/dbraw/zinc/25/65/51/762256551.db2.gz VYHJCBQTNHLFHI-DLBZAZTESA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090308888 754835524 /nfs/dbraw/zinc/83/55/24/754835524.db2.gz YTGMLWBXFZVYOH-KGLIPLIRSA-N 2 1 323.462 1.161 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C)CC1 ZINC001080992512 756178952 /nfs/dbraw/zinc/17/89/52/756178952.db2.gz NQYFVMMMESNXNH-NVXWUHKLSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@H]2C)CC1 ZINC001080997626 756180729 /nfs/dbraw/zinc/18/07/29/756180729.db2.gz HHPCSSHRWCPEBZ-NVXWUHKLSA-N 2 1 303.450 1.344 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081097925 756206142 /nfs/dbraw/zinc/20/61/42/756206142.db2.gz MDVOVCHNKUIGOB-RCCFBDPRSA-N 2 1 313.445 1.851 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015704959 756480522 /nfs/dbraw/zinc/48/05/22/756480522.db2.gz GNKODYXFQZNWKV-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015704959 756480523 /nfs/dbraw/zinc/48/05/23/756480523.db2.gz GNKODYXFQZNWKV-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC)CC2 ZINC001016669168 757250952 /nfs/dbraw/zinc/25/09/52/757250952.db2.gz DUSNDPWTMITQIV-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC)CC2 ZINC001016669168 757250954 /nfs/dbraw/zinc/25/09/54/757250954.db2.gz DUSNDPWTMITQIV-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702296 757280173 /nfs/dbraw/zinc/28/01/73/757280173.db2.gz NYRCCEMELLCKTL-IAGOWNOFSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016791295 757355408 /nfs/dbraw/zinc/35/54/08/757355408.db2.gz MATKPEPTUDZNLJ-HOTGVXAUSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016791295 757355420 /nfs/dbraw/zinc/35/54/20/757355420.db2.gz MATKPEPTUDZNLJ-HOTGVXAUSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001052957537 758010875 /nfs/dbraw/zinc/01/08/75/758010875.db2.gz GGXDBPTUWZDOME-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032493 758169038 /nfs/dbraw/zinc/16/90/38/758169038.db2.gz JWQYHXFOVPZOFD-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032493 758169043 /nfs/dbraw/zinc/16/90/43/758169043.db2.gz JWQYHXFOVPZOFD-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032493 758169045 /nfs/dbraw/zinc/16/90/45/758169045.db2.gz JWQYHXFOVPZOFD-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018303868 758714157 /nfs/dbraw/zinc/71/41/57/758714157.db2.gz PNMNKPOFMDWKPV-CALCHBBNSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733782 762666615 /nfs/dbraw/zinc/66/66/15/762666615.db2.gz WKUUGOOPIXYYQO-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001085230316 759178881 /nfs/dbraw/zinc/17/88/81/759178881.db2.gz PLTAJVWZIPKRRQ-ZACQAIPSSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(C)C ZINC001085230316 759178885 /nfs/dbraw/zinc/17/88/85/759178885.db2.gz PLTAJVWZIPKRRQ-ZACQAIPSSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197606 759283442 /nfs/dbraw/zinc/28/34/42/759283442.db2.gz FSRKDVSFFZLSGV-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197606 759283447 /nfs/dbraw/zinc/28/34/47/759283447.db2.gz FSRKDVSFFZLSGV-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197606 759283459 /nfs/dbraw/zinc/28/34/59/759283459.db2.gz FSRKDVSFFZLSGV-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)C[C@@H]2C1 ZINC000826798530 759308720 /nfs/dbraw/zinc/30/87/20/759308720.db2.gz FJMNIRKGRCFYFV-KGLIPLIRSA-N 2 1 318.446 1.832 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)C[C@@H]2C1 ZINC000826798530 759308730 /nfs/dbraw/zinc/30/87/30/759308730.db2.gz FJMNIRKGRCFYFV-KGLIPLIRSA-N 2 1 318.446 1.832 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)C[C@@H]2C1 ZINC000826798530 759308739 /nfs/dbraw/zinc/30/87/39/759308739.db2.gz FJMNIRKGRCFYFV-KGLIPLIRSA-N 2 1 318.446 1.832 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639876 759913301 /nfs/dbraw/zinc/91/33/01/759913301.db2.gz YGPAWMRBBRIAHY-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639876 759913303 /nfs/dbraw/zinc/91/33/03/759913303.db2.gz YGPAWMRBBRIAHY-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416578 759914341 /nfs/dbraw/zinc/91/43/41/759914341.db2.gz PUFMRRNMGNCOEZ-KSZLIROESA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001085647030 759923012 /nfs/dbraw/zinc/92/30/12/759923012.db2.gz ZZXVCVCIGHFFRV-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001085647030 759923014 /nfs/dbraw/zinc/92/30/14/759923014.db2.gz ZZXVCVCIGHFFRV-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)C ZINC001085647030 759923017 /nfs/dbraw/zinc/92/30/17/759923017.db2.gz ZZXVCVCIGHFFRV-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(C)C ZINC001085647030 759923021 /nfs/dbraw/zinc/92/30/21/759923021.db2.gz ZZXVCVCIGHFFRV-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCC)C2)CC1 ZINC001046849559 767981245 /nfs/dbraw/zinc/98/12/45/767981245.db2.gz HHKRBZIDZKHSBS-GOSISDBHSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000260134 761606412 /nfs/dbraw/zinc/60/64/12/761606412.db2.gz KICFQKGPFRVVCP-HOCLYGCPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364538 762943513 /nfs/dbraw/zinc/94/35/13/762943513.db2.gz WNZFDSWYMXXLSK-DOTOQJQBSA-N 2 1 323.481 1.690 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041349302 762973653 /nfs/dbraw/zinc/97/36/53/762973653.db2.gz MVEJWMWVHZLKLX-IEBWSBKVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349302 762973657 /nfs/dbraw/zinc/97/36/57/762973657.db2.gz MVEJWMWVHZLKLX-IEBWSBKVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349302 762973659 /nfs/dbraw/zinc/97/36/59/762973659.db2.gz MVEJWMWVHZLKLX-IEBWSBKVSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041352768 762976191 /nfs/dbraw/zinc/97/61/91/762976191.db2.gz BFDTXRZFCRFTHT-KRWDZBQOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041408564 763010532 /nfs/dbraw/zinc/01/05/32/763010532.db2.gz MTQQWXUTVIWMTM-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041408564 763010537 /nfs/dbraw/zinc/01/05/37/763010537.db2.gz MTQQWXUTVIWMTM-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041408564 763010541 /nfs/dbraw/zinc/01/05/41/763010541.db2.gz MTQQWXUTVIWMTM-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041674830 763214721 /nfs/dbraw/zinc/21/47/21/763214721.db2.gz LOOLHTXHNCJMJY-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041674830 763214730 /nfs/dbraw/zinc/21/47/30/763214730.db2.gz LOOLHTXHNCJMJY-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041674830 763214736 /nfs/dbraw/zinc/21/47/36/763214736.db2.gz LOOLHTXHNCJMJY-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723168 763253916 /nfs/dbraw/zinc/25/39/16/763253916.db2.gz DGVIHVTVARMXAD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723168 763253924 /nfs/dbraw/zinc/25/39/24/763253924.db2.gz DGVIHVTVARMXAD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723168 763253933 /nfs/dbraw/zinc/25/39/33/763253933.db2.gz DGVIHVTVARMXAD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725704 763257912 /nfs/dbraw/zinc/25/79/12/763257912.db2.gz QGSKOVPMGYBZGJ-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046926808 768122626 /nfs/dbraw/zinc/12/26/26/768122626.db2.gz WDVONHBEPZMZMO-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926808 768122629 /nfs/dbraw/zinc/12/26/29/768122629.db2.gz WDVONHBEPZMZMO-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926808 768122632 /nfs/dbraw/zinc/12/26/32/768122632.db2.gz WDVONHBEPZMZMO-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCC)C3)C2)CC1 ZINC001041844119 763400340 /nfs/dbraw/zinc/40/03/40/763400340.db2.gz CWCFIXFZOKWAQU-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846166 763402882 /nfs/dbraw/zinc/40/28/82/763402882.db2.gz YHTDCVOQLVHJGL-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846166 763402884 /nfs/dbraw/zinc/40/28/84/763402884.db2.gz YHTDCVOQLVHJGL-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846166 763402887 /nfs/dbraw/zinc/40/28/87/763402887.db2.gz YHTDCVOQLVHJGL-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042289021 763864783 /nfs/dbraw/zinc/86/47/83/763864783.db2.gz XOLOKQCJKCBWTH-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001109717277 763966483 /nfs/dbraw/zinc/96/64/83/763966483.db2.gz JISAUPFCZABIDB-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717277 763966487 /nfs/dbraw/zinc/96/64/87/763966487.db2.gz JISAUPFCZABIDB-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001109717277 763966495 /nfs/dbraw/zinc/96/64/95/763966495.db2.gz JISAUPFCZABIDB-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC)[C@H]3C2)CC1 ZINC001042367163 763970409 /nfs/dbraw/zinc/97/04/09/763970409.db2.gz BUUMGYSSPGLMDI-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131696890 768278060 /nfs/dbraw/zinc/27/80/60/768278060.db2.gz CJROFDDXIKAEPS-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696890 768278064 /nfs/dbraw/zinc/27/80/64/768278064.db2.gz CJROFDDXIKAEPS-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696890 768278066 /nfs/dbraw/zinc/27/80/66/768278066.db2.gz CJROFDDXIKAEPS-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378196 765772394 /nfs/dbraw/zinc/77/23/94/765772394.db2.gz UBJGDSZXWDPPEV-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378196 765772399 /nfs/dbraw/zinc/77/23/99/765772399.db2.gz UBJGDSZXWDPPEV-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378196 765772403 /nfs/dbraw/zinc/77/24/03/765772403.db2.gz UBJGDSZXWDPPEV-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562702 765959361 /nfs/dbraw/zinc/95/93/61/765959361.db2.gz ZBFNGZGVSWEETR-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653643 766038976 /nfs/dbraw/zinc/03/89/76/766038976.db2.gz OKSUBZFJIVJRHZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653643 766038979 /nfs/dbraw/zinc/03/89/79/766038979.db2.gz OKSUBZFJIVJRHZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653643 766038986 /nfs/dbraw/zinc/03/89/86/766038986.db2.gz OKSUBZFJIVJRHZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653643 766038994 /nfs/dbraw/zinc/03/89/94/766038994.db2.gz OKSUBZFJIVJRHZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569806 767698159 /nfs/dbraw/zinc/69/81/59/767698159.db2.gz OEFJPSFBHJREDW-YOEHRIQHSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569806 767698161 /nfs/dbraw/zinc/69/81/61/767698161.db2.gz OEFJPSFBHJREDW-YOEHRIQHSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569610 767698242 /nfs/dbraw/zinc/69/82/42/767698242.db2.gz KJDUUBJBFGVTCM-CRAIPNDOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569610 767698243 /nfs/dbraw/zinc/69/82/43/767698243.db2.gz KJDUUBJBFGVTCM-CRAIPNDOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001047401506 768453121 /nfs/dbraw/zinc/45/31/21/768453121.db2.gz USVGKJVCKVIZBC-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401506 768453125 /nfs/dbraw/zinc/45/31/25/768453125.db2.gz USVGKJVCKVIZBC-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001047401506 768453128 /nfs/dbraw/zinc/45/31/28/768453128.db2.gz USVGKJVCKVIZBC-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001047553550 768565474 /nfs/dbraw/zinc/56/54/74/768565474.db2.gz KRMKOTAXCGUMFR-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553550 768565477 /nfs/dbraw/zinc/56/54/77/768565477.db2.gz KRMKOTAXCGUMFR-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553550 768565479 /nfs/dbraw/zinc/56/54/79/768565479.db2.gz KRMKOTAXCGUMFR-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553550 768565483 /nfs/dbraw/zinc/56/54/83/768565483.db2.gz KRMKOTAXCGUMFR-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638558 768629448 /nfs/dbraw/zinc/62/94/48/768629448.db2.gz YCSKSYJJGNBGGG-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001047638558 768629450 /nfs/dbraw/zinc/62/94/50/768629450.db2.gz YCSKSYJJGNBGGG-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132270312 768723531 /nfs/dbraw/zinc/72/35/31/768723531.db2.gz SDNXCNXRHKUKIO-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818725 769939678 /nfs/dbraw/zinc/93/96/78/769939678.db2.gz LMZACEQILSKPDO-NXOAAHMSSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818725 769939683 /nfs/dbraw/zinc/93/96/83/769939683.db2.gz LMZACEQILSKPDO-NXOAAHMSSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818725 769939689 /nfs/dbraw/zinc/93/96/89/769939689.db2.gz LMZACEQILSKPDO-NXOAAHMSSA-N 2 1 303.450 1.437 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863885 770010766 /nfs/dbraw/zinc/01/07/66/770010766.db2.gz NZBVFXWAYYEWOU-ZNMIVQPWSA-N 2 1 311.857 1.469 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001048870237 770023394 /nfs/dbraw/zinc/02/33/94/770023394.db2.gz UBZKZVHLJRTGLT-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(C)C)C[C@@H]2C1 ZINC001048870237 770023405 /nfs/dbraw/zinc/02/34/05/770023405.db2.gz UBZKZVHLJRTGLT-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(C)C)C[C@@H]2C1 ZINC001048870237 770023418 /nfs/dbraw/zinc/02/34/18/770023418.db2.gz UBZKZVHLJRTGLT-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(C)C)C[C@@H]2C1 ZINC001048870237 770023431 /nfs/dbraw/zinc/02/34/31/770023431.db2.gz UBZKZVHLJRTGLT-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001133869623 770391742 /nfs/dbraw/zinc/39/17/42/770391742.db2.gz HVMIJJDUEOXPAE-WFASDCNBSA-N 2 1 318.396 1.101 20 30 DDEDMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001133893765 770419012 /nfs/dbraw/zinc/41/90/12/770419012.db2.gz OPRISHUFLHTVLG-UHFFFAOYSA-N 2 1 314.433 1.496 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482503 770912534 /nfs/dbraw/zinc/91/25/34/770912534.db2.gz OAFHVNJPDNAVCT-MLHJIOFPSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482503 770912545 /nfs/dbraw/zinc/91/25/45/770912545.db2.gz OAFHVNJPDNAVCT-MLHJIOFPSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482503 770912554 /nfs/dbraw/zinc/91/25/54/770912554.db2.gz OAFHVNJPDNAVCT-MLHJIOFPSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523538 770973226 /nfs/dbraw/zinc/97/32/26/770973226.db2.gz ZIGHGASKZHJTHV-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049523538 770973230 /nfs/dbraw/zinc/97/32/30/770973230.db2.gz ZIGHGASKZHJTHV-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049523538 770973239 /nfs/dbraw/zinc/97/32/39/770973239.db2.gz ZIGHGASKZHJTHV-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049627982 771031610 /nfs/dbraw/zinc/03/16/10/771031610.db2.gz DDEAZHTZSILUGJ-IRXDYDNUSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688206 771087854 /nfs/dbraw/zinc/08/78/54/771087854.db2.gz SIBYITQYGCHMKI-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049725659 771116240 /nfs/dbraw/zinc/11/62/40/771116240.db2.gz YSMZSEIJMAXYFY-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001049725659 771116242 /nfs/dbraw/zinc/11/62/42/771116242.db2.gz YSMZSEIJMAXYFY-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049725659 771116243 /nfs/dbraw/zinc/11/62/43/771116243.db2.gz YSMZSEIJMAXYFY-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC=C)CC1 ZINC001096605160 771284700 /nfs/dbraw/zinc/28/47/00/771284700.db2.gz DBEQBIOZSCDXIO-SQNIBIBYSA-N 2 1 315.461 1.629 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135690402 771656041 /nfs/dbraw/zinc/65/60/41/771656041.db2.gz HCJRSCMITKFSPB-DLBZAZTESA-N 2 1 323.481 1.385 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c(n1)C[NH2+]CC2 ZINC001171067971 772218746 /nfs/dbraw/zinc/21/87/46/772218746.db2.gz RDQIEEDIBOJAPM-AWEZNQCLSA-N 2 1 318.421 1.366 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986090 773322505 /nfs/dbraw/zinc/32/25/05/773322505.db2.gz NMUHEFPZKPRRKZ-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086941881 773732080 /nfs/dbraw/zinc/73/20/80/773732080.db2.gz CJQNJCXJHNBEFC-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@H]21 ZINC001036754151 774478655 /nfs/dbraw/zinc/47/86/55/774478655.db2.gz AXMGWGNJAVEDOL-CRAIPNDOSA-N 2 1 322.412 1.812 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036760144 774507892 /nfs/dbraw/zinc/50/78/92/774507892.db2.gz XNXZWDHWCHKGCG-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762880 774516765 /nfs/dbraw/zinc/51/67/65/774516765.db2.gz QXRXWGNYOSLYBE-FUHWJXTLSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCC)C[C@H]2C)CC1 ZINC001093223802 774536252 /nfs/dbraw/zinc/53/62/52/774536252.db2.gz HOXYOKQHHRIRJR-SJLPKXTDSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836452 774812862 /nfs/dbraw/zinc/81/28/62/774812862.db2.gz QLJOPSKTYIRPBF-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417345 775846026 /nfs/dbraw/zinc/84/60/26/775846026.db2.gz VNBJZWJRDVRDHT-ZHALLVOQSA-N 2 1 315.461 1.322 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257625 777016081 /nfs/dbraw/zinc/01/60/81/777016081.db2.gz DGZSZLKCZHLHKJ-RYRKJORJSA-N 2 1 323.456 1.470 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCCC)C[C@H]1C ZINC001102056250 777840279 /nfs/dbraw/zinc/84/02/79/777840279.db2.gz XVQSZJDZGLNRRB-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102056250 777840287 /nfs/dbraw/zinc/84/02/87/777840287.db2.gz XVQSZJDZGLNRRB-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001102056250 777840297 /nfs/dbraw/zinc/84/02/97/777840297.db2.gz XVQSZJDZGLNRRB-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCCC)C[C@H]1C ZINC001102056250 777840306 /nfs/dbraw/zinc/84/03/06/777840306.db2.gz XVQSZJDZGLNRRB-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001176071536 778010484 /nfs/dbraw/zinc/01/04/84/778010484.db2.gz FQVQJFZIKVHXRC-GFCCVEGCSA-N 2 1 306.435 1.167 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102521214 778182130 /nfs/dbraw/zinc/18/21/30/778182130.db2.gz XHQOTYYPMSRQDZ-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599072 778231319 /nfs/dbraw/zinc/23/13/19/778231319.db2.gz NSAFDNVZTDWATI-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178535019 779082470 /nfs/dbraw/zinc/08/24/70/779082470.db2.gz FNZQDPOEJLRBKK-IAGOWNOFSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178722185 779138237 /nfs/dbraw/zinc/13/82/37/779138237.db2.gz CSOLROUZDQHOFZ-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC1CC1 ZINC001178722185 779138241 /nfs/dbraw/zinc/13/82/41/779138241.db2.gz CSOLROUZDQHOFZ-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534938 779397840 /nfs/dbraw/zinc/39/78/40/779397840.db2.gz ZAZPORUMOVEEBR-JYJNAYRXSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001179590616 779421242 /nfs/dbraw/zinc/42/12/42/779421242.db2.gz KNHFXZFUSNIZBK-INIZCTEOSA-N 2 1 316.449 1.653 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2cncn2C)C1 ZINC001111938005 779570757 /nfs/dbraw/zinc/57/07/57/779570757.db2.gz HCJRONHAANEDGI-YJBOKZPZSA-N 2 1 316.449 1.900 20 30 DDEDMP C#CC[C@H](COC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118806276 781243492 /nfs/dbraw/zinc/24/34/92/781243492.db2.gz SLKCQIIBWNBEFJ-MRXNPFEDSA-N 2 1 319.424 1.705 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001267168776 837455422 /nfs/dbraw/zinc/45/54/22/837455422.db2.gz WWJNQYULQZFCAR-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001267181886 837484743 /nfs/dbraw/zinc/48/47/43/837484743.db2.gz PWLSIBPKHFVIAH-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001267181886 837484750 /nfs/dbraw/zinc/48/47/50/837484750.db2.gz PWLSIBPKHFVIAH-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[N@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001267233228 837575046 /nfs/dbraw/zinc/57/50/46/837575046.db2.gz JUYQWHYMOWCZDA-UHFFFAOYSA-N 2 1 305.422 1.806 20 30 DDEDMP C=CCC[N@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001266326805 836124189 /nfs/dbraw/zinc/12/41/89/836124189.db2.gz LZVUHCKAXZZXGZ-UHFFFAOYSA-N 2 1 306.410 1.508 20 30 DDEDMP C=CCC[N@@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001266326805 836124190 /nfs/dbraw/zinc/12/41/90/836124190.db2.gz LZVUHCKAXZZXGZ-UHFFFAOYSA-N 2 1 306.410 1.508 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266514633 836394566 /nfs/dbraw/zinc/39/45/66/836394566.db2.gz UAAGSAZRJOFYCJ-CABCVRRESA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266514633 836394578 /nfs/dbraw/zinc/39/45/78/836394578.db2.gz UAAGSAZRJOFYCJ-CABCVRRESA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267542032 838273410 /nfs/dbraw/zinc/27/34/10/838273410.db2.gz NITDSSYEFNIJRV-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267542032 838273413 /nfs/dbraw/zinc/27/34/13/838273413.db2.gz NITDSSYEFNIJRV-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267592346 838384982 /nfs/dbraw/zinc/38/49/82/838384982.db2.gz RMGNNRCQWPKQHF-KRWDZBQOSA-N 2 1 316.449 1.775 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267592346 838384992 /nfs/dbraw/zinc/38/49/92/838384992.db2.gz RMGNNRCQWPKQHF-KRWDZBQOSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001267605179 838426328 /nfs/dbraw/zinc/42/63/28/838426328.db2.gz NHYAVYSXZNIYOB-KRWDZBQOSA-N 2 1 305.466 1.714 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267703042 838678763 /nfs/dbraw/zinc/67/87/63/838678763.db2.gz LAMFRKJJVKHURM-IAGOWNOFSA-N 2 1 323.481 1.003 20 30 DDEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268000774 839351845 /nfs/dbraw/zinc/35/18/45/839351845.db2.gz PDKDCJZKJABDOP-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001268138044 839740447 /nfs/dbraw/zinc/74/04/47/839740447.db2.gz OYQWYPXXQNTRDS-NVXWUHKLSA-N 2 1 316.449 1.822 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001268149448 839757702 /nfs/dbraw/zinc/75/77/02/839757702.db2.gz BEUNZCGZFWRZNV-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001268236393 839872676 /nfs/dbraw/zinc/87/26/76/839872676.db2.gz GZEQWFVJSYDBFC-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001270248409 842422797 /nfs/dbraw/zinc/42/27/97/842422797.db2.gz ADGFRTVIYKOQMU-GOSISDBHSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154785014 861452647 /nfs/dbraw/zinc/45/26/47/861452647.db2.gz WGPHNZXMFRIAEC-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154785014 861452651 /nfs/dbraw/zinc/45/26/51/861452651.db2.gz WGPHNZXMFRIAEC-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154785014 861452657 /nfs/dbraw/zinc/45/26/57/861452657.db2.gz WGPHNZXMFRIAEC-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001272392102 846096933 /nfs/dbraw/zinc/09/69/33/846096933.db2.gz FXZNCDZITBZJIO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001272392102 846096943 /nfs/dbraw/zinc/09/69/43/846096943.db2.gz FXZNCDZITBZJIO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326977513 861767445 /nfs/dbraw/zinc/76/74/45/861767445.db2.gz HNLARWQNKYAHQW-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870291 847571818 /nfs/dbraw/zinc/57/18/18/847571818.db2.gz NCWVGCZPBIOAOY-KRWDZBQOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870291 847571829 /nfs/dbraw/zinc/57/18/29/847571829.db2.gz NCWVGCZPBIOAOY-KRWDZBQOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCCCCN1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272901396 847611943 /nfs/dbraw/zinc/61/19/43/847611943.db2.gz IASCGUARQVGLCQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272901396 847611949 /nfs/dbraw/zinc/61/19/49/847611949.db2.gz IASCGUARQVGLCQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272901396 847611953 /nfs/dbraw/zinc/61/19/53/847611953.db2.gz IASCGUARQVGLCQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001272901396 847611958 /nfs/dbraw/zinc/61/19/58/847611958.db2.gz IASCGUARQVGLCQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001272901396 847611960 /nfs/dbraw/zinc/61/19/60/847611960.db2.gz IASCGUARQVGLCQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001034207301 848113500 /nfs/dbraw/zinc/11/35/00/848113500.db2.gz PSSAJHWYKFYUQN-MRXNPFEDSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CCN1CCCC[C@@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001034207301 848113503 /nfs/dbraw/zinc/11/35/03/848113503.db2.gz PSSAJHWYKFYUQN-MRXNPFEDSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364078 848416154 /nfs/dbraw/zinc/41/61/54/848416154.db2.gz PZYJGKLYPBKEBQ-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364078 848416159 /nfs/dbraw/zinc/41/61/59/848416159.db2.gz PZYJGKLYPBKEBQ-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364078 848416166 /nfs/dbraw/zinc/41/61/66/848416166.db2.gz PZYJGKLYPBKEBQ-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364078 848416170 /nfs/dbraw/zinc/41/61/70/848416170.db2.gz PZYJGKLYPBKEBQ-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034365573 848421824 /nfs/dbraw/zinc/42/18/24/848421824.db2.gz CKSOXJSKFLBFAN-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365573 848421827 /nfs/dbraw/zinc/42/18/27/848421827.db2.gz CKSOXJSKFLBFAN-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365573 848421831 /nfs/dbraw/zinc/42/18/31/848421831.db2.gz CKSOXJSKFLBFAN-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[NH+]2C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC001273143090 848548834 /nfs/dbraw/zinc/54/88/34/848548834.db2.gz BISUZCNZXOEZJH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[NH+]2C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC001273143090 848548843 /nfs/dbraw/zinc/54/88/43/848548843.db2.gz BISUZCNZXOEZJH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[N@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001273143090 848548853 /nfs/dbraw/zinc/54/88/53/848548853.db2.gz BISUZCNZXOEZJH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@@H]2CCC[NH+](C)C2)C1=O ZINC001273143090 848548862 /nfs/dbraw/zinc/54/88/62/848548862.db2.gz BISUZCNZXOEZJH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001280505415 848703621 /nfs/dbraw/zinc/70/36/21/848703621.db2.gz OZTINILANXHLJD-OAHLLOKOSA-N 2 1 316.449 1.959 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001273200547 848713537 /nfs/dbraw/zinc/71/35/37/848713537.db2.gz CULCWSLYCGXBRT-QGZVFWFLSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149860588 861948309 /nfs/dbraw/zinc/94/83/09/861948309.db2.gz IDOMJJBPXYMWFR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860588 861948315 /nfs/dbraw/zinc/94/83/15/861948315.db2.gz IDOMJJBPXYMWFR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860588 861948324 /nfs/dbraw/zinc/94/83/24/861948324.db2.gz IDOMJJBPXYMWFR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241740 862151226 /nfs/dbraw/zinc/15/12/26/862151226.db2.gz REHSYUFLFIDRGN-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCN1c2ccccc2[C@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273712492 851257855 /nfs/dbraw/zinc/25/78/55/851257855.db2.gz WSSXWQKHTUTNMG-LJQANCHMSA-N 2 1 311.429 1.562 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001273840764 851408570 /nfs/dbraw/zinc/40/85/70/851408570.db2.gz NERULSSTNVOMMH-SJLPKXTDSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001274344954 852173815 /nfs/dbraw/zinc/17/38/15/852173815.db2.gz JKLKAGXZMAFGEP-INIZCTEOSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001274344954 852173821 /nfs/dbraw/zinc/17/38/21/852173821.db2.gz JKLKAGXZMAFGEP-INIZCTEOSA-N 2 1 301.434 1.078 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717566 862431135 /nfs/dbraw/zinc/43/11/35/862431135.db2.gz YTTYIBQKWMYZOB-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035601 858028823 /nfs/dbraw/zinc/02/88/23/858028823.db2.gz KFBLWKSBDCHNGS-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125935 858121424 /nfs/dbraw/zinc/12/14/24/858121424.db2.gz OVXOZTDNPDZNHS-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CCC)C2)C1 ZINC001122106844 858688265 /nfs/dbraw/zinc/68/82/65/858688265.db2.gz RUMMGSVPVLYKSS-UHFFFAOYSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCO[C@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001330655112 864513773 /nfs/dbraw/zinc/51/37/73/864513773.db2.gz NKYSKCPOAICSIN-RBUKOAKNSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001330655112 864513781 /nfs/dbraw/zinc/51/37/81/864513781.db2.gz NKYSKCPOAICSIN-RBUKOAKNSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001330655112 864513788 /nfs/dbraw/zinc/51/37/88/864513788.db2.gz NKYSKCPOAICSIN-RBUKOAKNSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001330655112 864513801 /nfs/dbraw/zinc/51/38/01/864513801.db2.gz NKYSKCPOAICSIN-RBUKOAKNSA-N 2 1 316.445 1.900 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605020 864755334 /nfs/dbraw/zinc/75/53/34/864755334.db2.gz KDDWRXSPFUIOLV-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605020 864755347 /nfs/dbraw/zinc/75/53/47/864755347.db2.gz KDDWRXSPFUIOLV-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001158872722 864951354 /nfs/dbraw/zinc/95/13/54/864951354.db2.gz YEZNQMMTSYFQMT-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001158872722 864951366 /nfs/dbraw/zinc/95/13/66/864951366.db2.gz YEZNQMMTSYFQMT-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001159627781 865439687 /nfs/dbraw/zinc/43/96/87/865439687.db2.gz AHLLJZLSEYIMHY-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159627781 865439692 /nfs/dbraw/zinc/43/96/92/865439692.db2.gz AHLLJZLSEYIMHY-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001159627781 865439695 /nfs/dbraw/zinc/43/96/95/865439695.db2.gz AHLLJZLSEYIMHY-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC#CCOC)CC2 ZINC001332118022 865590611 /nfs/dbraw/zinc/59/06/11/865590611.db2.gz NEDCJAXQTCNQCD-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](CC#CCOC)CC2 ZINC001332118022 865590623 /nfs/dbraw/zinc/59/06/23/865590623.db2.gz NEDCJAXQTCNQCD-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC#CCOC)CC2 ZINC001332118022 865590632 /nfs/dbraw/zinc/59/06/32/865590632.db2.gz NEDCJAXQTCNQCD-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001277062889 881965396 /nfs/dbraw/zinc/96/53/96/881965396.db2.gz MIGSNWQVXCHAHQ-CTYIDZIISA-N 2 1 311.389 1.551 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001333344065 866654331 /nfs/dbraw/zinc/65/43/31/866654331.db2.gz VWVNQEDDFUKUGZ-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+]1CCCC1)C2 ZINC001325642907 868208275 /nfs/dbraw/zinc/20/82/75/868208275.db2.gz KZQFOYUPNBDNTM-BCDXTJNWSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001317033074 870141887 /nfs/dbraw/zinc/14/18/87/870141887.db2.gz FDJUEKHPYUNCCK-CVEARBPZSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001317033074 870141896 /nfs/dbraw/zinc/14/18/96/870141896.db2.gz FDJUEKHPYUNCCK-CVEARBPZSA-N 2 1 309.454 1.158 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001166707504 870177613 /nfs/dbraw/zinc/17/76/13/870177613.db2.gz GVQFBAVVCKYKHB-SJLPKXTDSA-N 2 1 313.445 1.332 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137599 870341129 /nfs/dbraw/zinc/34/11/29/870341129.db2.gz NKIOKLOFMNKANE-WMZOPIPTSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137599 870341148 /nfs/dbraw/zinc/34/11/48/870341148.db2.gz NKIOKLOFMNKANE-WMZOPIPTSA-N 2 1 313.445 1.751 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317340095 870671526 /nfs/dbraw/zinc/67/15/26/870671526.db2.gz JRKNYTOLLPXRPB-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203793722 870761296 /nfs/dbraw/zinc/76/12/96/870761296.db2.gz SVYOUDJWIUNXEX-HOTGVXAUSA-N 2 1 323.481 1.546 20 30 DDEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518891 871602618 /nfs/dbraw/zinc/60/26/18/871602618.db2.gz ONDRIOROBCRGTG-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518891 871602638 /nfs/dbraw/zinc/60/26/38/871602638.db2.gz ONDRIOROBCRGTG-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001316746527 871808791 /nfs/dbraw/zinc/80/87/91/871808791.db2.gz RACFMYUELJXJAK-SJORKVTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001316746527 871808801 /nfs/dbraw/zinc/80/88/01/871808801.db2.gz RACFMYUELJXJAK-SJORKVTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001316746527 871808811 /nfs/dbraw/zinc/80/88/11/871808811.db2.gz RACFMYUELJXJAK-SJORKVTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206031549 872006109 /nfs/dbraw/zinc/00/61/09/872006109.db2.gz ULNPFAHMEAVDTR-MRXNPFEDSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206031549 872006131 /nfs/dbraw/zinc/00/61/31/872006131.db2.gz ULNPFAHMEAVDTR-MRXNPFEDSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001316764397 872008089 /nfs/dbraw/zinc/00/80/89/872008089.db2.gz WKOYDELYWGTDQR-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001319018755 872400473 /nfs/dbraw/zinc/40/04/73/872400473.db2.gz ANKZQXVDVOZLAW-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001319018755 872400479 /nfs/dbraw/zinc/40/04/79/872400479.db2.gz ANKZQXVDVOZLAW-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001319542172 872682446 /nfs/dbraw/zinc/68/24/46/872682446.db2.gz ZEVMWAAOVZVDOW-OAHLLOKOSA-N 2 1 320.437 1.093 20 30 DDEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207437033 873269660 /nfs/dbraw/zinc/26/96/60/873269660.db2.gz OJXYDNUGKRZIIY-MRXNPFEDSA-N 2 1 304.438 1.522 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767101 873546919 /nfs/dbraw/zinc/54/69/19/873546919.db2.gz NJLIZFOHXZLWFD-GDBMZVCRSA-N 2 1 302.422 1.530 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001208355984 874053404 /nfs/dbraw/zinc/05/34/04/874053404.db2.gz KOFPNIPIGMSPEF-IRXDYDNUSA-N 2 1 323.456 1.804 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCCF)C1 ZINC001208355984 874053424 /nfs/dbraw/zinc/05/34/24/874053424.db2.gz KOFPNIPIGMSPEF-IRXDYDNUSA-N 2 1 323.456 1.804 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001209506478 874928130 /nfs/dbraw/zinc/92/81/30/874928130.db2.gz MBGFORXGXKNYDI-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506478 874928134 /nfs/dbraw/zinc/92/81/34/874928134.db2.gz MBGFORXGXKNYDI-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209506478 874928136 /nfs/dbraw/zinc/92/81/36/874928136.db2.gz MBGFORXGXKNYDI-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209633717 875021398 /nfs/dbraw/zinc/02/13/98/875021398.db2.gz WKSOFKRCWZCLPH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378852189 875772736 /nfs/dbraw/zinc/77/27/36/875772736.db2.gz KQUWXZXZWIKGSB-PBHICJAKSA-N 2 1 314.433 1.446 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215930260 876825191 /nfs/dbraw/zinc/82/51/91/876825191.db2.gz VEDKKYPCIUBALT-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218919193 877805427 /nfs/dbraw/zinc/80/54/27/877805427.db2.gz OZFWNOBOSKUHOD-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919193 877805436 /nfs/dbraw/zinc/80/54/36/877805436.db2.gz OZFWNOBOSKUHOD-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919193 877805446 /nfs/dbraw/zinc/80/54/46/877805446.db2.gz OZFWNOBOSKUHOD-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220868456 879331803 /nfs/dbraw/zinc/33/18/03/879331803.db2.gz KLDJQRYCLDTNDV-RYRKJORJSA-N 2 1 321.465 1.302 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001221816513 880105677 /nfs/dbraw/zinc/10/56/77/880105677.db2.gz ZFWLANZRWXHUPZ-OWCLPIDISA-N 2 1 309.454 1.062 20 30 DDEDMP N#Cc1cc(F)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(F)c1 ZINC001222510837 880527726 /nfs/dbraw/zinc/52/77/26/880527726.db2.gz GLFYLRJRQMDGMV-HOTGVXAUSA-N 2 1 306.360 1.362 20 30 DDEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235722015 888914465 /nfs/dbraw/zinc/91/44/65/888914465.db2.gz HYGNAZJVEKYVOK-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001235722015 888914477 /nfs/dbraw/zinc/91/44/77/888914477.db2.gz HYGNAZJVEKYVOK-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235722015 888914487 /nfs/dbraw/zinc/91/44/87/888914487.db2.gz HYGNAZJVEKYVOK-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235722015 888914496 /nfs/dbraw/zinc/91/44/96/888914496.db2.gz HYGNAZJVEKYVOK-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001246302536 892526808 /nfs/dbraw/zinc/52/68/08/892526808.db2.gz DALAQKOLZNYBQW-GPANFISMSA-N 3 1 311.470 1.676 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1ccccn1 ZINC001246307235 892528460 /nfs/dbraw/zinc/52/84/60/892528460.db2.gz LICNMIMHOZITPJ-HOCLYGCPSA-N 2 1 305.422 1.829 20 30 DDEDMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001366452322 893605906 /nfs/dbraw/zinc/60/59/06/893605906.db2.gz MUDMEZLJSKXKSD-WMLDXEAASA-N 2 1 314.433 1.637 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001251893923 894873429 /nfs/dbraw/zinc/87/34/29/894873429.db2.gz NBMRKAWZSSUFAH-LJQANCHMSA-N 2 1 316.445 1.294 20 30 DDEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366874448 895190806 /nfs/dbraw/zinc/19/08/06/895190806.db2.gz RJEQNFMHLXPAPQ-RBSFLKMASA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001366874448 895190817 /nfs/dbraw/zinc/19/08/17/895190817.db2.gz RJEQNFMHLXPAPQ-RBSFLKMASA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001366874448 895190821 /nfs/dbraw/zinc/19/08/21/895190821.db2.gz RJEQNFMHLXPAPQ-RBSFLKMASA-N 2 1 313.873 1.859 20 30 DDEDMP CC[NH+](CC)C[C@H](O)CNc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001253179752 895686356 /nfs/dbraw/zinc/68/63/56/895686356.db2.gz RZNLLTANPUSXDT-GFCCVEGCSA-N 2 1 322.478 1.722 20 30 DDEDMP C[N@H+]1CCc2c(C#N)c(NC[C@H](O)C[NH2+]C(C)(C)C)sc2C1 ZINC001253385486 895809629 /nfs/dbraw/zinc/80/96/29/895809629.db2.gz YMUKSASFYJAYPO-NSHDSACASA-N 2 1 322.478 1.769 20 30 DDEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001278781451 896413891 /nfs/dbraw/zinc/41/38/91/896413891.db2.gz IMKKHGXWZIVMGT-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278781451 896413898 /nfs/dbraw/zinc/41/38/98/896413898.db2.gz IMKKHGXWZIVMGT-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278781451 896413905 /nfs/dbraw/zinc/41/39/05/896413905.db2.gz IMKKHGXWZIVMGT-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278791129 896482723 /nfs/dbraw/zinc/48/27/23/896482723.db2.gz NRKOJODYKDMPDD-QGZVFWFLSA-N 2 1 321.465 1.134 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001264195734 901014871 /nfs/dbraw/zinc/01/48/71/901014871.db2.gz YQZFLXQZSKQCJL-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001264403502 901090933 /nfs/dbraw/zinc/09/09/33/901090933.db2.gz QRLAGUMZCHMBHD-JKIFEVAISA-N 2 1 311.445 1.869 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265316673 901873283 /nfs/dbraw/zinc/87/32/83/901873283.db2.gz AGRCWOJEVBBADA-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+](CC)CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001266054556 902850305 /nfs/dbraw/zinc/85/03/05/902850305.db2.gz VZYYCCGVMVGTPP-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@H+](C)CCC)cc1 ZINC001280354545 903604495 /nfs/dbraw/zinc/60/44/95/903604495.db2.gz PXCQQXFSLUUACS-OAHLLOKOSA-N 2 1 301.434 1.928 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316605186 903879371 /nfs/dbraw/zinc/87/93/71/903879371.db2.gz WWFQITRGAIRWLF-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316605186 903879375 /nfs/dbraw/zinc/87/93/75/903879375.db2.gz WWFQITRGAIRWLF-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC[C@@H](C)F ZINC001280823623 904084440 /nfs/dbraw/zinc/08/44/40/904084440.db2.gz WTLVRCMUKKGBON-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC[C@@H](C)F ZINC001280823623 904084452 /nfs/dbraw/zinc/08/44/52/904084452.db2.gz WTLVRCMUKKGBON-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC[C@@H](C)F ZINC001280823623 904084464 /nfs/dbraw/zinc/08/44/64/904084464.db2.gz WTLVRCMUKKGBON-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC[C@@H](C)F ZINC001280823623 904084480 /nfs/dbraw/zinc/08/44/80/904084480.db2.gz WTLVRCMUKKGBON-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001281023234 904328427 /nfs/dbraw/zinc/32/84/27/904328427.db2.gz KSNSGKBXNUEAOH-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001371419014 904939562 /nfs/dbraw/zinc/93/95/62/904939562.db2.gz AATKQGMESKWOPT-CABCVRRESA-N 2 1 314.433 1.494 20 30 DDEDMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001282321374 905683663 /nfs/dbraw/zinc/68/36/63/905683663.db2.gz QEOCJYYVSCLHQZ-HNNXBMFYSA-N 2 1 316.449 1.461 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001282738404 906000376 /nfs/dbraw/zinc/00/03/76/906000376.db2.gz FMKBVZRBMSYSPH-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001283913713 908170729 /nfs/dbraw/zinc/17/07/29/908170729.db2.gz QKNUTHNMUCRNFZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001375951899 917345623 /nfs/dbraw/zinc/34/56/23/917345623.db2.gz QHBGOANURDLORY-OAHLLOKOSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001375951899 917345638 /nfs/dbraw/zinc/34/56/38/917345638.db2.gz QHBGOANURDLORY-OAHLLOKOSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(C)C[N@H+](CC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000052890437 352630933 /nfs/dbraw/zinc/63/09/33/352630933.db2.gz PKLFTATUGNUBOW-INIZCTEOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000052890437 352630938 /nfs/dbraw/zinc/63/09/38/352630938.db2.gz PKLFTATUGNUBOW-INIZCTEOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000052890437 352630943 /nfs/dbraw/zinc/63/09/43/352630943.db2.gz PKLFTATUGNUBOW-INIZCTEOSA-N 2 1 311.470 1.357 20 30 DDEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000083032165 353704906 /nfs/dbraw/zinc/70/49/06/353704906.db2.gz LABQTGTTZVYWCT-CJNGLKHVSA-N 2 1 314.433 1.899 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000600769847 358311527 /nfs/dbraw/zinc/31/15/27/358311527.db2.gz SSVXRQKCNDYRAB-XJKSGUPXSA-N 2 1 316.405 1.231 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602479082 359005660 /nfs/dbraw/zinc/00/56/60/359005660.db2.gz DLPDHIIXXYEIGS-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602479082 359005664 /nfs/dbraw/zinc/00/56/64/359005664.db2.gz DLPDHIIXXYEIGS-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846503 359233843 /nfs/dbraw/zinc/23/38/43/359233843.db2.gz QSNZIBGSAFXXAW-HNNXBMFYSA-N 2 1 315.421 1.354 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093821458 193313563 /nfs/dbraw/zinc/31/35/63/193313563.db2.gz WKNWYTNVNLNTRT-OAHLLOKOSA-N 2 1 306.454 1.555 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093821458 193313564 /nfs/dbraw/zinc/31/35/64/193313564.db2.gz WKNWYTNVNLNTRT-OAHLLOKOSA-N 2 1 306.454 1.555 20 30 DDEDMP CN(CC(=O)Nc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152381215 407625929 /nfs/dbraw/zinc/62/59/29/407625929.db2.gz YLBYRWJTXKYVIC-HNNXBMFYSA-N 2 1 300.406 1.770 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1OC ZINC000186865024 407785488 /nfs/dbraw/zinc/78/54/88/407785488.db2.gz AUTYXMFFKJKXLV-CQSZACIVSA-N 2 1 308.401 1.723 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000277485841 408950203 /nfs/dbraw/zinc/95/02/03/408950203.db2.gz UPFUHTLEXVCJFJ-CQSZACIVSA-N 2 1 320.437 1.923 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000358186705 410397966 /nfs/dbraw/zinc/39/79/66/410397966.db2.gz JJOUQVJMHKDWLA-UHFFFAOYSA-N 2 1 306.454 1.588 20 30 DDEDMP COc1ccc(C#N)cc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344070284 410934077 /nfs/dbraw/zinc/93/40/77/410934077.db2.gz QKQGZASRNVNFEL-UHFFFAOYSA-N 2 1 318.465 1.882 20 30 DDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000423169169 227385508 /nfs/dbraw/zinc/38/55/08/227385508.db2.gz ZHAWAQPSOBYSLS-OIISXLGYSA-N 2 1 303.381 1.944 20 30 DDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261860455 222260538 /nfs/dbraw/zinc/26/05/38/222260538.db2.gz ZFYSVURKMPXXLQ-XYPHTWIQSA-N 2 1 322.497 1.575 20 30 DDEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCOC)c1cccc(OC)c1 ZINC000264151090 222326421 /nfs/dbraw/zinc/32/64/21/222326421.db2.gz ZHHHDUMFIJCHJF-MRXNPFEDSA-N 2 1 322.453 1.629 20 30 DDEDMP C[NH+]=C(NCc1nc(C)cs1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262002194 222269111 /nfs/dbraw/zinc/26/91/11/222269111.db2.gz USXDJBNRVYNTRY-GXFFZTMASA-N 2 1 307.467 1.599 20 30 DDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]CC)N2CC[C@]3(CCOC3)C2)C1 ZINC000262015271 222271251 /nfs/dbraw/zinc/27/12/51/222271251.db2.gz XOTKOFGHIVZHOM-AEFFLSMTSA-N 2 1 322.497 1.796 20 30 DDEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262085419 222271990 /nfs/dbraw/zinc/27/19/90/222271990.db2.gz FVGYWYZVCOPFAQ-QGZVFWFLSA-N 2 1 301.434 1.731 20 30 DDEDMP CN(C(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC1 ZINC000262221168 222273461 /nfs/dbraw/zinc/27/34/61/222273461.db2.gz KJCWDZWGTCPIQJ-UHFFFAOYSA-N 2 1 307.486 1.346 20 30 DDEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000262308358 222275414 /nfs/dbraw/zinc/27/54/14/222275414.db2.gz PEFRGKLGTYDTQG-KRWDZBQOSA-N 2 1 302.422 1.359 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262397101 222279198 /nfs/dbraw/zinc/27/91/98/222279198.db2.gz NDINEICCKLYFJN-FHXAZYNBSA-N 2 1 320.481 1.590 20 30 DDEDMP CC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264093443 222317063 /nfs/dbraw/zinc/31/70/63/222317063.db2.gz LNOQPUGJSZUQSQ-MRXNPFEDSA-N 2 1 318.465 1.807 20 30 DDEDMP CCNC(NCCCN1CCN(c2cc[nH+]cc2)CC1)=[NH+]CC ZINC000264101902 222318192 /nfs/dbraw/zinc/31/81/92/222318192.db2.gz ONFIUQJDYORDJZ-UHFFFAOYSA-N 2 1 318.469 1.169 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccccc1 ZINC000267420221 222384423 /nfs/dbraw/zinc/38/44/23/222384423.db2.gz KJQNJQUGIYEERA-DOTOQJQBSA-N 2 1 304.438 1.283 20 30 DDEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000369672209 418735788 /nfs/dbraw/zinc/73/57/88/418735788.db2.gz MWJNEGNIWAUYQN-MRXNPFEDSA-N 2 1 308.470 1.312 20 30 DDEDMP CC[NH+]1CCC([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000362203975 418750522 /nfs/dbraw/zinc/75/05/22/418750522.db2.gz YVLVZMMXAPKCNR-UHFFFAOYSA-N 2 1 313.449 1.996 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[NH3+])CC2)cc1 ZINC000418309423 419696426 /nfs/dbraw/zinc/69/64/26/419696426.db2.gz HXZFQVWYRARVAF-UHFFFAOYSA-N 2 1 315.421 1.124 20 30 DDEDMP C=CCNC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697504 420277681 /nfs/dbraw/zinc/27/76/81/420277681.db2.gz YHJQFWZDTLCVGX-HNNXBMFYSA-N 2 1 319.474 1.994 20 30 DDEDMP C=CCNC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697504 420277686 /nfs/dbraw/zinc/27/76/86/420277686.db2.gz YHJQFWZDTLCVGX-HNNXBMFYSA-N 2 1 319.474 1.994 20 30 DDEDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000344161597 267182160 /nfs/dbraw/zinc/18/21/60/267182160.db2.gz GSWCDUXIENIXKI-WMLDXEAASA-N 2 1 314.433 1.796 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528379400 267282532 /nfs/dbraw/zinc/28/25/32/267282532.db2.gz GTKNPTCQUNVEBY-HOCLYGCPSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528379400 267282535 /nfs/dbraw/zinc/28/25/35/267282535.db2.gz GTKNPTCQUNVEBY-HOCLYGCPSA-N 2 1 303.406 1.181 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000264090868 293017160 /nfs/dbraw/zinc/01/71/60/293017160.db2.gz LAVSVHIQSAKSKT-AWEZNQCLSA-N 2 1 318.465 1.763 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000574020781 332307647 /nfs/dbraw/zinc/30/76/47/332307647.db2.gz HJZWQHFCYMSAAX-IXDOHACOSA-N 2 1 310.486 1.150 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424143069 534021261 /nfs/dbraw/zinc/02/12/61/534021261.db2.gz JKBKOJRJMPLHHZ-GOEBONIOSA-N 2 1 302.422 1.644 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000491814985 526807800 /nfs/dbraw/zinc/80/78/00/526807800.db2.gz FAIVUAHOOAFQKE-HOTGVXAUSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000491814985 526807805 /nfs/dbraw/zinc/80/78/05/526807805.db2.gz FAIVUAHOOAFQKE-HOTGVXAUSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000491814985 526807810 /nfs/dbraw/zinc/80/78/10/526807810.db2.gz FAIVUAHOOAFQKE-HOTGVXAUSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000491766358 526810024 /nfs/dbraw/zinc/81/00/24/526810024.db2.gz GKCAWGIKXNZLRZ-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000491766358 526810029 /nfs/dbraw/zinc/81/00/29/526810029.db2.gz GKCAWGIKXNZLRZ-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000491766358 526810034 /nfs/dbraw/zinc/81/00/34/526810034.db2.gz GKCAWGIKXNZLRZ-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000491387884 526815768 /nfs/dbraw/zinc/81/57/68/526815768.db2.gz ZGRMPNDJFFVRAQ-KRWDZBQOSA-N 2 1 314.433 1.128 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347143720 528861079 /nfs/dbraw/zinc/86/10/79/528861079.db2.gz AISGVROIKMHPQA-UHFFFAOYSA-N 2 1 317.437 1.720 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000347143720 528861085 /nfs/dbraw/zinc/86/10/85/528861085.db2.gz AISGVROIKMHPQA-UHFFFAOYSA-N 2 1 317.437 1.720 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980241519 696716545 /nfs/dbraw/zinc/71/65/45/696716545.db2.gz QZZNMIUXILLESV-JYJNAYRXSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980241519 696716546 /nfs/dbraw/zinc/71/65/46/696716546.db2.gz QZZNMIUXILLESV-JYJNAYRXSA-N 2 1 302.422 1.594 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980244203 696717182 /nfs/dbraw/zinc/71/71/82/696717182.db2.gz XZMGOMDGKPQDKH-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980244203 696717184 /nfs/dbraw/zinc/71/71/84/696717184.db2.gz XZMGOMDGKPQDKH-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294994 695208535 /nfs/dbraw/zinc/20/85/35/695208535.db2.gz PXNDUEKYVVCGQS-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294994 695208537 /nfs/dbraw/zinc/20/85/37/695208537.db2.gz PXNDUEKYVVCGQS-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000972294994 695208540 /nfs/dbraw/zinc/20/85/40/695208540.db2.gz PXNDUEKYVVCGQS-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389694 695238126 /nfs/dbraw/zinc/23/81/26/695238126.db2.gz UQALILXWFNTQRC-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389694 695238127 /nfs/dbraw/zinc/23/81/27/695238127.db2.gz UQALILXWFNTQRC-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389694 695238128 /nfs/dbraw/zinc/23/81/28/695238128.db2.gz UQALILXWFNTQRC-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638888 695306075 /nfs/dbraw/zinc/30/60/75/695306075.db2.gz OOMNIZNCFPSMKQ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638888 695306076 /nfs/dbraw/zinc/30/60/76/695306076.db2.gz OOMNIZNCFPSMKQ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972638888 695306077 /nfs/dbraw/zinc/30/60/77/695306077.db2.gz OOMNIZNCFPSMKQ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972638888 695306079 /nfs/dbraw/zinc/30/60/79/695306079.db2.gz OOMNIZNCFPSMKQ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974655728 695705067 /nfs/dbraw/zinc/70/50/67/695705067.db2.gz YAYSTBCLZBUXIZ-HOTGVXAUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655728 695705069 /nfs/dbraw/zinc/70/50/69/695705069.db2.gz YAYSTBCLZBUXIZ-HOTGVXAUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655728 695705071 /nfs/dbraw/zinc/70/50/71/695705071.db2.gz YAYSTBCLZBUXIZ-HOTGVXAUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974680475 695710518 /nfs/dbraw/zinc/71/05/18/695710518.db2.gz IQMRSXUVFKPCOV-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974680475 695710520 /nfs/dbraw/zinc/71/05/20/695710520.db2.gz IQMRSXUVFKPCOV-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974680475 695710521 /nfs/dbraw/zinc/71/05/21/695710521.db2.gz IQMRSXUVFKPCOV-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974680499 695710667 /nfs/dbraw/zinc/71/06/67/695710667.db2.gz IQMRSXUVFKPCOV-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974680499 695710668 /nfs/dbraw/zinc/71/06/68/695710668.db2.gz IQMRSXUVFKPCOV-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974680499 695710671 /nfs/dbraw/zinc/71/06/71/695710671.db2.gz IQMRSXUVFKPCOV-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972907 695770688 /nfs/dbraw/zinc/77/06/88/695770688.db2.gz QFKWESIWLKTDEG-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972907 695770689 /nfs/dbraw/zinc/77/06/89/695770689.db2.gz QFKWESIWLKTDEG-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972907 695770690 /nfs/dbraw/zinc/77/06/90/695770690.db2.gz QFKWESIWLKTDEG-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972907 695770691 /nfs/dbraw/zinc/77/06/91/695770691.db2.gz QFKWESIWLKTDEG-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978316912 696363287 /nfs/dbraw/zinc/36/32/87/696363287.db2.gz CXHPVGMLJCOYRD-OSYLJGHBSA-N 2 1 317.477 1.733 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083096567 696550493 /nfs/dbraw/zinc/55/04/93/696550493.db2.gz ULSPYCSFCFOMKO-HNNXBMFYSA-N 3 1 321.513 1.653 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083096567 696550495 /nfs/dbraw/zinc/55/04/95/696550495.db2.gz ULSPYCSFCFOMKO-HNNXBMFYSA-N 3 1 321.513 1.653 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980522844 696791762 /nfs/dbraw/zinc/79/17/62/696791762.db2.gz CBJHAWNAOODRDI-HNNXBMFYSA-N 2 1 317.433 1.901 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981871110 696949467 /nfs/dbraw/zinc/94/94/67/696949467.db2.gz RXMGLMICJGLQJA-UHFFFAOYSA-N 2 1 315.461 1.563 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCC)C3)CC1 ZINC000982162087 697046053 /nfs/dbraw/zinc/04/60/53/697046053.db2.gz HVSQUNJHCOMIGC-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982301563 697087759 /nfs/dbraw/zinc/08/77/59/697087759.db2.gz SCMZDJQTWPVFDX-RYQLBKOJSA-N 2 1 307.482 1.929 20 30 DDEDMP C#CCSCCNC(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)=[NH+]C ZINC000262630371 698476800 /nfs/dbraw/zinc/47/68/00/698476800.db2.gz FEBTXTPVZMEBOF-GOOCMWNKSA-N 2 1 308.495 1.533 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000989074577 698530762 /nfs/dbraw/zinc/53/07/62/698530762.db2.gz JXIPNJZNILAUON-STQMWFEESA-N 2 1 306.410 1.505 20 30 DDEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCCO1 ZINC000303265170 698604703 /nfs/dbraw/zinc/60/47/03/698604703.db2.gz UIXIIAHZBUSHIZ-KRWDZBQOSA-N 2 1 316.449 1.518 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccccc1F ZINC000303973405 698611835 /nfs/dbraw/zinc/61/18/35/698611835.db2.gz GTYYBKXZDPYZHF-GOEBONIOSA-N 2 1 320.412 1.308 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000304752699 698624491 /nfs/dbraw/zinc/62/44/91/698624491.db2.gz KMEPWUSRLZRLRB-LBPRGKRZSA-N 2 1 306.410 1.772 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990612221 699107478 /nfs/dbraw/zinc/10/74/78/699107478.db2.gz HAXRUJDDZWQCDT-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990612221 699107479 /nfs/dbraw/zinc/10/74/79/699107479.db2.gz HAXRUJDDZWQCDT-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000990612221 699107480 /nfs/dbraw/zinc/10/74/80/699107480.db2.gz HAXRUJDDZWQCDT-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000730095636 699500389 /nfs/dbraw/zinc/50/03/89/699500389.db2.gz CEUYHGCPNJSNGV-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000730095636 699500390 /nfs/dbraw/zinc/50/03/90/699500390.db2.gz CEUYHGCPNJSNGV-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000730095636 699500391 /nfs/dbraw/zinc/50/03/91/699500391.db2.gz CEUYHGCPNJSNGV-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000730095636 699500392 /nfs/dbraw/zinc/50/03/92/699500392.db2.gz CEUYHGCPNJSNGV-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccn2)CCC1=NN1CC[NH+](C)CC1 ZINC000734361634 699648447 /nfs/dbraw/zinc/64/84/47/699648447.db2.gz GQFYXEYGYOYXBT-OAHLLOKOSA-N 2 1 301.438 1.527 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NN1CC[NH+](C)CC1 ZINC000734361634 699648449 /nfs/dbraw/zinc/64/84/49/699648449.db2.gz GQFYXEYGYOYXBT-OAHLLOKOSA-N 2 1 301.438 1.527 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000841910269 702615181 /nfs/dbraw/zinc/61/51/81/702615181.db2.gz NHJKFFIORMFKJP-UHFFFAOYSA-N 2 1 302.422 1.112 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000851661619 703825254 /nfs/dbraw/zinc/82/52/54/703825254.db2.gz MOGDKMXZNJVMIB-KRWDZBQOSA-N 2 1 320.481 1.363 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000820196678 704239048 /nfs/dbraw/zinc/23/90/48/704239048.db2.gz HEFAZKHSRPPHSK-QGZVFWFLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#Cc1cncc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000855346413 704480132 /nfs/dbraw/zinc/48/01/32/704480132.db2.gz APIYYBTUHBVADH-AWEZNQCLSA-N 2 1 302.422 1.065 20 30 DDEDMP C#Cc1cncc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000855346413 704480133 /nfs/dbraw/zinc/48/01/33/704480133.db2.gz APIYYBTUHBVADH-AWEZNQCLSA-N 2 1 302.422 1.065 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000856476925 704530294 /nfs/dbraw/zinc/53/02/94/704530294.db2.gz JMOWENHHJLRXRW-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000856476925 704530295 /nfs/dbraw/zinc/53/02/95/704530295.db2.gz JMOWENHHJLRXRW-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000856476925 704530296 /nfs/dbraw/zinc/53/02/96/704530296.db2.gz JMOWENHHJLRXRW-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000856476925 704530297 /nfs/dbraw/zinc/53/02/97/704530297.db2.gz JMOWENHHJLRXRW-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000838624430 707955999 /nfs/dbraw/zinc/95/59/99/707955999.db2.gz YKTBZVXBJFOOOR-INIZCTEOSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000884202233 708187154 /nfs/dbraw/zinc/18/71/54/708187154.db2.gz UJOCBJROXLAXDZ-INIZCTEOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000884202233 708187156 /nfs/dbraw/zinc/18/71/56/708187156.db2.gz UJOCBJROXLAXDZ-INIZCTEOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000884203261 708187739 /nfs/dbraw/zinc/18/77/39/708187739.db2.gz RVJKFKNIHDIXRD-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000884203261 708187740 /nfs/dbraw/zinc/18/77/40/708187740.db2.gz RVJKFKNIHDIXRD-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000884203261 708187741 /nfs/dbraw/zinc/18/77/41/708187741.db2.gz RVJKFKNIHDIXRD-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCC)C2)C1 ZINC000884203261 708187742 /nfs/dbraw/zinc/18/77/42/708187742.db2.gz RVJKFKNIHDIXRD-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCC)C2)C1 ZINC000884203261 708187743 /nfs/dbraw/zinc/18/77/43/708187743.db2.gz RVJKFKNIHDIXRD-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000890368980 709841569 /nfs/dbraw/zinc/84/15/69/709841569.db2.gz PITKOGPTEQARMK-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000890368980 709841573 /nfs/dbraw/zinc/84/15/73/709841573.db2.gz PITKOGPTEQARMK-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000890368980 709841577 /nfs/dbraw/zinc/84/15/77/709841577.db2.gz PITKOGPTEQARMK-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000890368980 709841581 /nfs/dbraw/zinc/84/15/81/709841581.db2.gz PITKOGPTEQARMK-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929848328 713706467 /nfs/dbraw/zinc/70/64/67/713706467.db2.gz MEOIRLSLMMEEKB-OFLPRAFFSA-N 2 1 318.465 1.555 20 30 DDEDMP C#CCN(C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000921436428 713770770 /nfs/dbraw/zinc/77/07/70/713770770.db2.gz VHBYWHJNRNAVKY-PBHICJAKSA-N 2 1 318.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000923125415 714245080 /nfs/dbraw/zinc/24/50/80/714245080.db2.gz CDSVVKUBFXEPTH-SJORKVTESA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000923559189 714402600 /nfs/dbraw/zinc/40/26/00/714402600.db2.gz ILIZTYWHBXUQOL-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000923559189 714402602 /nfs/dbraw/zinc/40/26/02/714402602.db2.gz ILIZTYWHBXUQOL-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CSCC[NH+](CC)CC)C1 ZINC000923576849 714413367 /nfs/dbraw/zinc/41/33/67/714413367.db2.gz MJFWMBJFMCCBMI-HNNXBMFYSA-N 2 1 311.495 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CSCC[NH+](CC)CC)C1 ZINC000923576849 714413369 /nfs/dbraw/zinc/41/33/69/714413369.db2.gz MJFWMBJFMCCBMI-HNNXBMFYSA-N 2 1 311.495 1.275 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957644898 715982059 /nfs/dbraw/zinc/98/20/59/715982059.db2.gz NETYWGMIFFNTPS-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959891693 716338979 /nfs/dbraw/zinc/33/89/79/716338979.db2.gz GENRNQPFJLULLZ-ZSHCYNCHSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000959908835 716348274 /nfs/dbraw/zinc/34/82/74/716348274.db2.gz DWOLLTOVWZSHNS-DZJNRPSUSA-N 2 1 317.477 1.873 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959908835 716348280 /nfs/dbraw/zinc/34/82/80/716348280.db2.gz DWOLLTOVWZSHNS-DZJNRPSUSA-N 2 1 317.477 1.873 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959908835 716348285 /nfs/dbraw/zinc/34/82/85/716348285.db2.gz DWOLLTOVWZSHNS-DZJNRPSUSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21 ZINC000960345517 716498924 /nfs/dbraw/zinc/49/89/24/716498924.db2.gz JVWNNAQXAOZSAK-XWTMOSNGSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC000960345517 716498927 /nfs/dbraw/zinc/49/89/27/716498927.db2.gz JVWNNAQXAOZSAK-XWTMOSNGSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC000960345517 716498933 /nfs/dbraw/zinc/49/89/33/716498933.db2.gz JVWNNAQXAOZSAK-XWTMOSNGSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CCCC3)C[C@H]21 ZINC000960345517 716498938 /nfs/dbraw/zinc/49/89/38/716498938.db2.gz JVWNNAQXAOZSAK-XWTMOSNGSA-N 2 1 315.461 1.321 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279524 716893227 /nfs/dbraw/zinc/89/32/27/716893227.db2.gz FCLOPYICIGVCGU-IAGOWNOFSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279524 716893231 /nfs/dbraw/zinc/89/32/31/716893231.db2.gz FCLOPYICIGVCGU-IAGOWNOFSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC000940811191 716970456 /nfs/dbraw/zinc/97/04/56/716970456.db2.gz BTHHJCSUXQJAPD-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC000940811191 716970459 /nfs/dbraw/zinc/97/04/59/716970459.db2.gz BTHHJCSUXQJAPD-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC1(C)C ZINC000940811191 716970464 /nfs/dbraw/zinc/97/04/64/716970464.db2.gz BTHHJCSUXQJAPD-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(C)C)CC1(C)C ZINC000940811191 716970468 /nfs/dbraw/zinc/97/04/68/716970468.db2.gz BTHHJCSUXQJAPD-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940864364 717001245 /nfs/dbraw/zinc/00/12/45/717001245.db2.gz KZPOAYGERSHXCU-MRXNPFEDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027629 717079717 /nfs/dbraw/zinc/07/97/17/717079717.db2.gz WWZJZXJFHPATPD-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027629 717079719 /nfs/dbraw/zinc/07/97/19/717079719.db2.gz WWZJZXJFHPATPD-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027629 717079722 /nfs/dbraw/zinc/07/97/22/717079722.db2.gz WWZJZXJFHPATPD-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000962275639 717384836 /nfs/dbraw/zinc/38/48/36/717384836.db2.gz WEMFANKEFWXIKE-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962275639 717384837 /nfs/dbraw/zinc/38/48/37/717384837.db2.gz WEMFANKEFWXIKE-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962275639 717384841 /nfs/dbraw/zinc/38/48/41/717384841.db2.gz WEMFANKEFWXIKE-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC[C@@H](C)F)C[C@H]32)CC1 ZINC000962773726 717583630 /nfs/dbraw/zinc/58/36/30/717583630.db2.gz JVKLZLNABBREHO-SIXLDLHFSA-N 2 1 321.440 1.126 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943877092 718214011 /nfs/dbraw/zinc/21/40/11/718214011.db2.gz MBMWSUYCMVSIEQ-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396208 718867404 /nfs/dbraw/zinc/86/74/04/718867404.db2.gz BPARMUWJQRBATF-PBHICJAKSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708364 718975941 /nfs/dbraw/zinc/97/59/41/718975941.db2.gz RHHSUYSKXHELEV-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708364 718975943 /nfs/dbraw/zinc/97/59/43/718975943.db2.gz RHHSUYSKXHELEV-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967924373 719089500 /nfs/dbraw/zinc/08/95/00/719089500.db2.gz GQKYSFQQEGFYMI-VXGBXAGGSA-N 2 1 316.243 1.180 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@@H](C)C2)CC1 ZINC000948071340 719349942 /nfs/dbraw/zinc/34/99/42/719349942.db2.gz XASKXTOTIFCVGY-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948542208 719538688 /nfs/dbraw/zinc/53/86/88/719538688.db2.gz ODTLVMDAIXNRTB-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948542208 719538692 /nfs/dbraw/zinc/53/86/92/719538692.db2.gz ODTLVMDAIXNRTB-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948542208 719538696 /nfs/dbraw/zinc/53/86/96/719538696.db2.gz ODTLVMDAIXNRTB-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948542208 719538700 /nfs/dbraw/zinc/53/87/00/719538700.db2.gz ODTLVMDAIXNRTB-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153337 719978996 /nfs/dbraw/zinc/97/89/96/719978996.db2.gz FRCLTJKXQKDQNU-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153337 719978999 /nfs/dbraw/zinc/97/89/99/719978999.db2.gz FRCLTJKXQKDQNU-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153337 719979002 /nfs/dbraw/zinc/97/90/02/719979002.db2.gz FRCLTJKXQKDQNU-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153337 719979003 /nfs/dbraw/zinc/97/90/03/719979003.db2.gz FRCLTJKXQKDQNU-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC000970712994 720904296 /nfs/dbraw/zinc/90/42/96/720904296.db2.gz USHGRVNWAOUFBB-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023763262 735449515 /nfs/dbraw/zinc/44/95/15/735449515.db2.gz HOUUUYFSCSNYOF-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023763262 735449516 /nfs/dbraw/zinc/44/95/16/735449516.db2.gz HOUUUYFSCSNYOF-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023763262 735449521 /nfs/dbraw/zinc/44/95/21/735449521.db2.gz HOUUUYFSCSNYOF-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696627 738556202 /nfs/dbraw/zinc/55/62/02/738556202.db2.gz PUVWNZMAZNCTFM-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696627 738556204 /nfs/dbraw/zinc/55/62/04/738556204.db2.gz PUVWNZMAZNCTFM-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167235911 732851387 /nfs/dbraw/zinc/85/13/87/732851387.db2.gz CSQSRVGKDSZPLB-OAHLLOKOSA-N 2 1 316.449 1.816 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021599825 733357434 /nfs/dbraw/zinc/35/74/34/733357434.db2.gz KJDWMTNKQASNKO-GDBMZVCRSA-N 2 1 302.422 1.841 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021599825 733357440 /nfs/dbraw/zinc/35/74/40/733357440.db2.gz KJDWMTNKQASNKO-GDBMZVCRSA-N 2 1 302.422 1.841 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021599828 733357637 /nfs/dbraw/zinc/35/76/37/733357637.db2.gz KJDWMTNKQASNKO-ZBFHGGJFSA-N 2 1 302.422 1.841 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021599828 733357644 /nfs/dbraw/zinc/35/76/44/733357644.db2.gz KJDWMTNKQASNKO-ZBFHGGJFSA-N 2 1 302.422 1.841 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167428074 733450460 /nfs/dbraw/zinc/45/04/60/733450460.db2.gz AEUHZHXOXUEEJZ-SJORKVTESA-N 2 1 317.477 1.903 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167460761 733660026 /nfs/dbraw/zinc/66/00/26/733660026.db2.gz NPCSPGILFVSJMS-UHFFFAOYSA-N 2 1 323.481 1.551 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001121294712 782444955 /nfs/dbraw/zinc/44/49/55/782444955.db2.gz FOGRLMXRDBXEQS-LMBQMVEXSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001167626446 734852872 /nfs/dbraw/zinc/85/28/72/734852872.db2.gz BAHCOXBZKZGBTK-INIZCTEOSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001023451943 735247431 /nfs/dbraw/zinc/24/74/31/735247431.db2.gz ORNQAUCWDNVIDU-HUUCEWRRSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704593 735553057 /nfs/dbraw/zinc/55/30/57/735553057.db2.gz TXGRHNJINCGJEU-PKOBYXMFSA-N 2 1 313.445 1.629 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CC1CC1 ZINC001024486564 735864332 /nfs/dbraw/zinc/86/43/32/735864332.db2.gz BIYQQSUAYDIFLU-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781473 736851706 /nfs/dbraw/zinc/85/17/06/736851706.db2.gz FSQFBHRPNPXJOK-ALYAQQCSSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781473 736851709 /nfs/dbraw/zinc/85/17/09/736851709.db2.gz FSQFBHRPNPXJOK-ALYAQQCSSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781473 736851710 /nfs/dbraw/zinc/85/17/10/736851710.db2.gz FSQFBHRPNPXJOK-ALYAQQCSSA-N 2 1 303.450 1.483 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026100065 737118266 /nfs/dbraw/zinc/11/82/66/737118266.db2.gz SSURSAHNTZYLAN-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026100065 737118268 /nfs/dbraw/zinc/11/82/68/737118268.db2.gz SSURSAHNTZYLAN-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026100065 737118270 /nfs/dbraw/zinc/11/82/70/737118270.db2.gz SSURSAHNTZYLAN-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139810 737139939 /nfs/dbraw/zinc/13/99/39/737139939.db2.gz UDHIYWRLTOJMDX-DMRKSPOLSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCN1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008541855 737823757 /nfs/dbraw/zinc/82/37/57/737823757.db2.gz SDSMTZOGQFFNFI-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008541855 737823760 /nfs/dbraw/zinc/82/37/60/737823760.db2.gz SDSMTZOGQFFNFI-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008541855 737823766 /nfs/dbraw/zinc/82/37/66/737823766.db2.gz SDSMTZOGQFFNFI-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008541855 737823768 /nfs/dbraw/zinc/82/37/68/737823768.db2.gz SDSMTZOGQFFNFI-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](F)CC)CC1 ZINC001028333381 739366591 /nfs/dbraw/zinc/36/65/91/739366591.db2.gz IUWLTEWSQDPUHW-IAGOWNOFSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001040470227 751473775 /nfs/dbraw/zinc/47/37/75/751473775.db2.gz INJVYNBUVWOZGY-QGZVFWFLSA-N 2 1 300.406 1.290 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624851 739799419 /nfs/dbraw/zinc/79/94/19/739799419.db2.gz INFBXQFVIPRZTF-INIZCTEOSA-N 2 1 305.466 1.877 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001028640328 739832964 /nfs/dbraw/zinc/83/29/64/739832964.db2.gz MKEKSFWYBIGANE-HUUCEWRRSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028640328 739832969 /nfs/dbraw/zinc/83/29/69/739832969.db2.gz MKEKSFWYBIGANE-HUUCEWRRSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028640328 739832975 /nfs/dbraw/zinc/83/29/75/739832975.db2.gz MKEKSFWYBIGANE-HUUCEWRRSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800084 740058049 /nfs/dbraw/zinc/05/80/49/740058049.db2.gz ONDKKIJBJQFKDB-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800084 740058052 /nfs/dbraw/zinc/05/80/52/740058052.db2.gz ONDKKIJBJQFKDB-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076160990 742579621 /nfs/dbraw/zinc/57/96/21/742579621.db2.gz ATUXXANIKJWHHQ-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076160990 742579624 /nfs/dbraw/zinc/57/96/24/742579624.db2.gz ATUXXANIKJWHHQ-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076160990 742579627 /nfs/dbraw/zinc/57/96/27/742579627.db2.gz ATUXXANIKJWHHQ-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076324099 742667289 /nfs/dbraw/zinc/66/72/89/742667289.db2.gz NGDDBAZOQNGBEZ-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607033 743535634 /nfs/dbraw/zinc/53/56/34/743535634.db2.gz BSCSBKKHMNVIGK-CVEARBPZSA-N 2 1 314.389 1.075 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001127065623 743692399 /nfs/dbraw/zinc/69/23/99/743692399.db2.gz CFDBBHAXMJJGRY-KRWDZBQOSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184692756 744081545 /nfs/dbraw/zinc/08/15/45/744081545.db2.gz JAPXZJJXASGIKG-KBPBESRZSA-N 2 1 320.437 1.610 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168873 744169677 /nfs/dbraw/zinc/16/96/77/744169677.db2.gz JXYGRLKRYQPZKI-CVEARBPZSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985589 744543997 /nfs/dbraw/zinc/54/39/97/744543997.db2.gz XIWVSECROHQXAL-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985589 744543999 /nfs/dbraw/zinc/54/39/99/744543999.db2.gz XIWVSECROHQXAL-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985589 744544001 /nfs/dbraw/zinc/54/40/01/744544001.db2.gz XIWVSECROHQXAL-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276506 744741950 /nfs/dbraw/zinc/74/19/50/744741950.db2.gz AKJSFMSQSINHSA-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992486819 744912069 /nfs/dbraw/zinc/91/20/69/744912069.db2.gz LFOGVRALUGQFEG-RDJZCZTQSA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992486819 744912070 /nfs/dbraw/zinc/91/20/70/744912070.db2.gz LFOGVRALUGQFEG-RDJZCZTQSA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC000992754493 745175546 /nfs/dbraw/zinc/17/55/46/745175546.db2.gz VSRZGBHTEXSSNJ-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC000992778543 745193545 /nfs/dbraw/zinc/19/35/45/745193545.db2.gz ZKNSQEYHIKYDLP-OWCLPIDISA-N 2 1 302.422 1.594 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106434071 745697811 /nfs/dbraw/zinc/69/78/11/745697811.db2.gz ZHVWBFWCEDBICV-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP COCC#CCN(C)[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001192577391 745829756 /nfs/dbraw/zinc/82/97/56/745829756.db2.gz GEKQZILCMMFZHB-JKSUJKDBSA-N 2 1 318.421 1.017 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642757 745855449 /nfs/dbraw/zinc/85/54/49/745855449.db2.gz WXLHWMPOIQTKSG-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192642757 745855454 /nfs/dbraw/zinc/85/54/54/745855454.db2.gz WXLHWMPOIQTKSG-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026143 746256373 /nfs/dbraw/zinc/25/63/73/746256373.db2.gz BPGXWFPJEJBIBU-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCC(C)C)C2)CC1 ZINC001194245472 746319160 /nfs/dbraw/zinc/31/91/60/746319160.db2.gz AUVALWAAJOLYDR-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015707109 746509681 /nfs/dbraw/zinc/50/96/81/746509681.db2.gz ZWGVALCVESAOSJ-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015707109 746509685 /nfs/dbraw/zinc/50/96/85/746509685.db2.gz ZWGVALCVESAOSJ-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015707109 746509688 /nfs/dbraw/zinc/50/96/88/746509688.db2.gz ZWGVALCVESAOSJ-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC#C)CC(C)(C)C1 ZINC001089410778 746821620 /nfs/dbraw/zinc/82/16/20/746821620.db2.gz VBOSWMPNZSEEQX-SJORKVTESA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC#C)CC(C)(C)C1 ZINC001089410778 746821625 /nfs/dbraw/zinc/82/16/25/746821625.db2.gz VBOSWMPNZSEEQX-SJORKVTESA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC#C)CC(C)(C)C1 ZINC001089410778 746821631 /nfs/dbraw/zinc/82/16/31/746821631.db2.gz VBOSWMPNZSEEQX-SJORKVTESA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC#C)CC(C)(C)C1 ZINC001089410778 746821634 /nfs/dbraw/zinc/82/16/34/746821634.db2.gz VBOSWMPNZSEEQX-SJORKVTESA-N 2 1 315.461 1.324 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001089735248 747714022 /nfs/dbraw/zinc/71/40/22/747714022.db2.gz HLFHBQQIXYJICN-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001089735248 747714027 /nfs/dbraw/zinc/71/40/27/747714027.db2.gz HLFHBQQIXYJICN-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001089735248 747714036 /nfs/dbraw/zinc/71/40/36/747714036.db2.gz HLFHBQQIXYJICN-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001089735248 747714039 /nfs/dbraw/zinc/71/40/39/747714039.db2.gz HLFHBQQIXYJICN-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089849379 748063716 /nfs/dbraw/zinc/06/37/16/748063716.db2.gz CUEPMUVDZMEKGO-FJIDUMEYSA-N 2 1 315.461 1.130 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851006 748066557 /nfs/dbraw/zinc/06/65/57/748066557.db2.gz SAQIJJSIQPFNAE-MLHJIOFPSA-N 2 1 317.477 1.683 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001004186575 748103614 /nfs/dbraw/zinc/10/36/14/748103614.db2.gz WCDDLXANTSIXCF-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004186575 748103617 /nfs/dbraw/zinc/10/36/17/748103617.db2.gz WCDDLXANTSIXCF-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918653 748208250 /nfs/dbraw/zinc/20/82/50/748208250.db2.gz QUOLVJUDOLJANW-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918653 748208255 /nfs/dbraw/zinc/20/82/55/748208255.db2.gz QUOLVJUDOLJANW-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085800 748224816 /nfs/dbraw/zinc/22/48/16/748224816.db2.gz XDCWBRVDWVZMOT-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200554111 748273670 /nfs/dbraw/zinc/27/36/70/748273670.db2.gz FXCCEMQUAZECNG-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004376616 748383944 /nfs/dbraw/zinc/38/39/44/748383944.db2.gz WEAILHODZBDXGW-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004376616 748383952 /nfs/dbraw/zinc/38/39/52/748383952.db2.gz WEAILHODZBDXGW-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001004376616 748383960 /nfs/dbraw/zinc/38/39/60/748383960.db2.gz WEAILHODZBDXGW-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001201044545 748406816 /nfs/dbraw/zinc/40/68/16/748406816.db2.gz ZASVCBZYRXZNJE-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001201094826 748409276 /nfs/dbraw/zinc/40/92/76/748409276.db2.gz WXCJEDSDRCYTDS-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H](C)F)CC1 ZINC001201094826 748409279 /nfs/dbraw/zinc/40/92/79/748409279.db2.gz WXCJEDSDRCYTDS-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201405054 748500122 /nfs/dbraw/zinc/50/01/22/748500122.db2.gz ZSPKVJBZFBDWPE-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001201392571 748505917 /nfs/dbraw/zinc/50/59/17/748505917.db2.gz AHTAKCYINMAKSG-UHFFFAOYSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004541018 748532539 /nfs/dbraw/zinc/53/25/39/748532539.db2.gz WMZZVAYTRYKEGM-QZTJIDSGSA-N 2 1 319.493 1.909 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143857 748535484 /nfs/dbraw/zinc/53/54/84/748535484.db2.gz MWFBDIHQZZTCTD-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143857 748535487 /nfs/dbraw/zinc/53/54/87/748535487.db2.gz MWFBDIHQZZTCTD-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143857 748535490 /nfs/dbraw/zinc/53/54/90/748535490.db2.gz MWFBDIHQZZTCTD-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153661 748649514 /nfs/dbraw/zinc/64/95/14/748649514.db2.gz WXQRZECDMOEIOL-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153661 748649518 /nfs/dbraw/zinc/64/95/18/748649518.db2.gz WXQRZECDMOEIOL-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202165692 748702620 /nfs/dbraw/zinc/70/26/20/748702620.db2.gz SNYKPNVCIUMFIE-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202197907 748709814 /nfs/dbraw/zinc/70/98/14/748709814.db2.gz XTXSOHVTEFVQGS-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616313 748830013 /nfs/dbraw/zinc/83/00/13/748830013.db2.gz BVHHXXSYCOBSGG-FPCVCCKLSA-N 2 1 309.429 1.411 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110616313 748830016 /nfs/dbraw/zinc/83/00/16/748830016.db2.gz BVHHXXSYCOBSGG-FPCVCCKLSA-N 2 1 309.429 1.411 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033211535 748942554 /nfs/dbraw/zinc/94/25/54/748942554.db2.gz JZIHIZUBTNULHT-HUUCEWRRSA-N 2 1 302.422 1.554 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297539 749141614 /nfs/dbraw/zinc/14/16/14/749141614.db2.gz OVFKZTCCVCGCAP-QGZVFWFLSA-N 2 1 313.445 1.570 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033686037 749715861 /nfs/dbraw/zinc/71/58/61/749715861.db2.gz YRYNSKHINGHHKS-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001033686014 749716082 /nfs/dbraw/zinc/71/60/82/749716082.db2.gz YIRWSVCIEWPIIR-KRWDZBQOSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202765166 749724440 /nfs/dbraw/zinc/72/44/40/749724440.db2.gz ULJCJRXOZACIKQ-QGZVFWFLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095533514 750019663 /nfs/dbraw/zinc/01/96/63/750019663.db2.gz AZPDRJAPVLOSRF-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005426434 750046666 /nfs/dbraw/zinc/04/66/66/750046666.db2.gz TWIGVJYRHMTJJJ-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001128774653 750063052 /nfs/dbraw/zinc/06/30/52/750063052.db2.gz VWVSOXZJSHMAEW-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005504524 750365713 /nfs/dbraw/zinc/36/57/13/750365713.db2.gz UDCMYQCSAGGXQO-HNNXBMFYSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108395939 762041445 /nfs/dbraw/zinc/04/14/45/762041445.db2.gz XLRKUODLGQFWJB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395939 762041451 /nfs/dbraw/zinc/04/14/51/762041451.db2.gz XLRKUODLGQFWJB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395939 762041460 /nfs/dbraw/zinc/04/14/60/762041460.db2.gz XLRKUODLGQFWJB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034534497 750536435 /nfs/dbraw/zinc/53/64/35/750536435.db2.gz LIIULVYHDLQEDT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034534497 750536439 /nfs/dbraw/zinc/53/64/39/750536439.db2.gz LIIULVYHDLQEDT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034534497 750536441 /nfs/dbraw/zinc/53/64/41/750536441.db2.gz LIIULVYHDLQEDT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034534497 750536445 /nfs/dbraw/zinc/53/64/45/750536445.db2.gz LIIULVYHDLQEDT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997182557 750670823 /nfs/dbraw/zinc/67/08/23/750670823.db2.gz ZBCUZTAWKYXIJZ-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089907892 750820424 /nfs/dbraw/zinc/82/04/24/750820424.db2.gz OWNDHLLTELMGIV-MHORFTMASA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001034797326 750892005 /nfs/dbraw/zinc/89/20/05/750892005.db2.gz OWHHHCLNRKWUMU-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001034797326 750892014 /nfs/dbraw/zinc/89/20/14/750892014.db2.gz OWHHHCLNRKWUMU-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035166879 751252236 /nfs/dbraw/zinc/25/22/36/751252236.db2.gz VZTSRXAWNSEJIC-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035166879 751252237 /nfs/dbraw/zinc/25/22/37/751252237.db2.gz VZTSRXAWNSEJIC-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035166879 751252241 /nfs/dbraw/zinc/25/22/41/751252241.db2.gz VZTSRXAWNSEJIC-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997862184 751327506 /nfs/dbraw/zinc/32/75/06/751327506.db2.gz ZLKXNWXOYYMLQK-DZGCQCFKSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997862184 751327512 /nfs/dbraw/zinc/32/75/12/751327512.db2.gz ZLKXNWXOYYMLQK-DZGCQCFKSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000998895223 752338789 /nfs/dbraw/zinc/33/87/89/752338789.db2.gz XFTSVWNSHYWFAI-PREGVCBESA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008344791 752684138 /nfs/dbraw/zinc/68/41/38/752684138.db2.gz TTXQRKUXWMURFL-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008344791 752684141 /nfs/dbraw/zinc/68/41/41/752684141.db2.gz TTXQRKUXWMURFL-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000775832 762187162 /nfs/dbraw/zinc/18/71/62/762187162.db2.gz FOOXTUZQLLMSFH-MRXNPFEDSA-N 2 1 312.417 1.532 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000775832 762187170 /nfs/dbraw/zinc/18/71/70/762187170.db2.gz FOOXTUZQLLMSFH-MRXNPFEDSA-N 2 1 312.417 1.532 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999766874 753131506 /nfs/dbraw/zinc/13/15/06/753131506.db2.gz TUHZANZBRYTPRN-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107999025 753426919 /nfs/dbraw/zinc/42/69/19/753426919.db2.gz XBUZPEKSAOUYBX-RDJZCZTQSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107999025 753426924 /nfs/dbraw/zinc/42/69/24/753426924.db2.gz XBUZPEKSAOUYBX-RDJZCZTQSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001000843278 762256203 /nfs/dbraw/zinc/25/62/03/762256203.db2.gz VCUBNGNCCHXVQA-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001000843278 762256209 /nfs/dbraw/zinc/25/62/09/762256209.db2.gz VCUBNGNCCHXVQA-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001000843278 762256214 /nfs/dbraw/zinc/25/62/14/762256214.db2.gz VCUBNGNCCHXVQA-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC=C)CC1 ZINC001040014700 762315267 /nfs/dbraw/zinc/31/52/67/762315267.db2.gz REXXWLVIXPTPNI-HDICACEKSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC=C)CC1 ZINC001040014700 762315271 /nfs/dbraw/zinc/31/52/71/762315271.db2.gz REXXWLVIXPTPNI-HDICACEKSA-N 2 1 315.461 1.583 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014474118 755750166 /nfs/dbraw/zinc/75/01/66/755750166.db2.gz SWESYAHSRPDBMG-ZACQAIPSSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202424 762436858 /nfs/dbraw/zinc/43/68/58/762436858.db2.gz RKDBIWWIMGISNF-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202424 762436861 /nfs/dbraw/zinc/43/68/61/762436861.db2.gz RKDBIWWIMGISNF-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202424 762436864 /nfs/dbraw/zinc/43/68/64/762436864.db2.gz RKDBIWWIMGISNF-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210486 762441049 /nfs/dbraw/zinc/44/10/49/762441049.db2.gz QXZGSTITNBOJGR-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040210486 762441052 /nfs/dbraw/zinc/44/10/52/762441052.db2.gz QXZGSTITNBOJGR-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210486 762441057 /nfs/dbraw/zinc/44/10/57/762441057.db2.gz QXZGSTITNBOJGR-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241636 762453937 /nfs/dbraw/zinc/45/39/37/762453937.db2.gz QJSLACYXMBQRCE-IEBWSBKVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC)C2 ZINC001040245422 762456777 /nfs/dbraw/zinc/45/67/77/762456777.db2.gz TZHYAGAQRVOREP-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001040245422 762456781 /nfs/dbraw/zinc/45/67/81/762456781.db2.gz TZHYAGAQRVOREP-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC)C2 ZINC001040245422 762456787 /nfs/dbraw/zinc/45/67/87/762456787.db2.gz TZHYAGAQRVOREP-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCC)C2 ZINC001040245422 762456789 /nfs/dbraw/zinc/45/67/89/762456789.db2.gz TZHYAGAQRVOREP-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260826 762466023 /nfs/dbraw/zinc/46/60/23/762466023.db2.gz IYVKAZSKXLGZES-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260826 762466025 /nfs/dbraw/zinc/46/60/25/762466025.db2.gz IYVKAZSKXLGZES-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260826 762466029 /nfs/dbraw/zinc/46/60/29/762466029.db2.gz IYVKAZSKXLGZES-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260826 762466031 /nfs/dbraw/zinc/46/60/31/762466031.db2.gz IYVKAZSKXLGZES-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cnc(C)n3C1)C2 ZINC001095927700 756613064 /nfs/dbraw/zinc/61/30/64/756613064.db2.gz KGTODCXIUVZBRX-FSDCSDTHSA-N 2 1 312.417 1.109 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3cnc(C)n3C1)C2 ZINC001095927700 756613065 /nfs/dbraw/zinc/61/30/65/756613065.db2.gz KGTODCXIUVZBRX-FSDCSDTHSA-N 2 1 312.417 1.109 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911774 756645122 /nfs/dbraw/zinc/64/51/22/756645122.db2.gz UGUYLAGBMOLAGG-OAHLLOKOSA-N 2 1 309.373 1.095 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911774 756645124 /nfs/dbraw/zinc/64/51/24/756645124.db2.gz UGUYLAGBMOLAGG-OAHLLOKOSA-N 2 1 309.373 1.095 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393780 757022047 /nfs/dbraw/zinc/02/20/47/757022047.db2.gz QAZXYTNWJTXXPV-CVEARBPZSA-N 2 1 321.465 1.132 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083080329 757125613 /nfs/dbraw/zinc/12/56/13/757125613.db2.gz NEBZFNAWBVVPMW-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083080329 757125614 /nfs/dbraw/zinc/12/56/14/757125614.db2.gz NEBZFNAWBVVPMW-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080329 757125616 /nfs/dbraw/zinc/12/56/16/757125616.db2.gz NEBZFNAWBVVPMW-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080329 757125618 /nfs/dbraw/zinc/12/56/18/757125618.db2.gz NEBZFNAWBVVPMW-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001076284 762528311 /nfs/dbraw/zinc/52/83/11/762528311.db2.gz MLKLTQDZXAASFK-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076284 762528314 /nfs/dbraw/zinc/52/83/14/762528314.db2.gz MLKLTQDZXAASFK-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076284 762528317 /nfs/dbraw/zinc/52/83/17/762528317.db2.gz MLKLTQDZXAASFK-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631150 757219723 /nfs/dbraw/zinc/21/97/23/757219723.db2.gz OCDQCEAAUJDUHP-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016792967 757359124 /nfs/dbraw/zinc/35/91/24/757359124.db2.gz YSVRSMKENGIOSV-HRCADAONSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016984352 757530460 /nfs/dbraw/zinc/53/04/60/757530460.db2.gz YJJUOECUYBSHBX-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447166 757569466 /nfs/dbraw/zinc/56/94/66/757569466.db2.gz BDWJCNPJCXTGDX-QBPKDAKJSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447166 757569475 /nfs/dbraw/zinc/56/94/75/757569475.db2.gz BDWJCNPJCXTGDX-QBPKDAKJSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447166 757569487 /nfs/dbraw/zinc/56/94/87/757569487.db2.gz BDWJCNPJCXTGDX-QBPKDAKJSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001084447166 757569499 /nfs/dbraw/zinc/56/94/99/757569499.db2.gz BDWJCNPJCXTGDX-QBPKDAKJSA-N 2 1 321.465 1.204 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470707 757587618 /nfs/dbraw/zinc/58/76/18/757587618.db2.gz RYSISLPPYAWFHE-NVXWUHKLSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)[C@@H]2C1 ZINC001084470707 757587622 /nfs/dbraw/zinc/58/76/22/757587622.db2.gz RYSISLPPYAWFHE-NVXWUHKLSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470707 757587624 /nfs/dbraw/zinc/58/76/24/757587624.db2.gz RYSISLPPYAWFHE-NVXWUHKLSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001084470707 757587627 /nfs/dbraw/zinc/58/76/27/757587627.db2.gz RYSISLPPYAWFHE-NVXWUHKLSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476331 757615716 /nfs/dbraw/zinc/61/57/16/757615716.db2.gz SYUCROMYLPLSBW-BRWVUGGUSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476331 757615720 /nfs/dbraw/zinc/61/57/20/757615720.db2.gz SYUCROMYLPLSBW-BRWVUGGUSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476331 757615723 /nfs/dbraw/zinc/61/57/23/757615723.db2.gz SYUCROMYLPLSBW-BRWVUGGUSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476331 757615726 /nfs/dbraw/zinc/61/57/26/757615726.db2.gz SYUCROMYLPLSBW-BRWVUGGUSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545383 757655405 /nfs/dbraw/zinc/65/54/05/757655405.db2.gz HWGJPLJAEFAGPS-BRWVUGGUSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545383 757655412 /nfs/dbraw/zinc/65/54/12/757655412.db2.gz HWGJPLJAEFAGPS-BRWVUGGUSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017549220 758015726 /nfs/dbraw/zinc/01/57/26/758015726.db2.gz GBXOBBZWTCCQNQ-TVFCKZIOSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017549220 758015736 /nfs/dbraw/zinc/01/57/36/758015736.db2.gz GBXOBBZWTCCQNQ-TVFCKZIOSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017549220 758015744 /nfs/dbraw/zinc/01/57/44/758015744.db2.gz GBXOBBZWTCCQNQ-TVFCKZIOSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@@H]21 ZINC001085036723 758171564 /nfs/dbraw/zinc/17/15/64/758171564.db2.gz GIPZYBMVZXCRPG-ANQUJSFKSA-N 2 1 312.417 1.080 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001053603166 758623416 /nfs/dbraw/zinc/62/34/16/758623416.db2.gz OYSURGPQBQWRIL-BZUAXINKSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054108086 759174000 /nfs/dbraw/zinc/17/40/00/759174000.db2.gz OKQSLATUVRCGSW-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054108086 759174002 /nfs/dbraw/zinc/17/40/02/759174002.db2.gz OKQSLATUVRCGSW-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054108086 759174004 /nfs/dbraw/zinc/17/40/04/759174004.db2.gz OKQSLATUVRCGSW-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054108086 759174007 /nfs/dbraw/zinc/17/40/07/759174007.db2.gz OKQSLATUVRCGSW-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018851997 759335080 /nfs/dbraw/zinc/33/50/80/759335080.db2.gz YSGWXLZZPYVZGG-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000332847 761648798 /nfs/dbraw/zinc/64/87/98/761648798.db2.gz MARKDYYITLCECH-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001302727 762741295 /nfs/dbraw/zinc/74/12/95/762741295.db2.gz BZVLXBJWTRXUOI-UHFFFAOYSA-N 2 1 323.400 1.815 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001302727 762741305 /nfs/dbraw/zinc/74/13/05/762741305.db2.gz BZVLXBJWTRXUOI-UHFFFAOYSA-N 2 1 323.400 1.815 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001001424108 762851891 /nfs/dbraw/zinc/85/18/91/762851891.db2.gz HFTWSPWTVVSTEO-IAGOWNOFSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC#CC)CC2)CC1 ZINC001001472606 762894358 /nfs/dbraw/zinc/89/43/58/762894358.db2.gz SMHDHAWZDNLCQS-UHFFFAOYSA-N 2 1 313.445 1.103 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001001571345 762970964 /nfs/dbraw/zinc/97/09/64/762970964.db2.gz BVJIXRDFINKYIS-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537285 763115552 /nfs/dbraw/zinc/11/55/52/763115552.db2.gz WETWPMIQKFDXKV-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837364 763393584 /nfs/dbraw/zinc/39/35/84/763393584.db2.gz GEVYEUICPUZVDX-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837364 763393592 /nfs/dbraw/zinc/39/35/92/763393592.db2.gz GEVYEUICPUZVDX-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837364 763393598 /nfs/dbraw/zinc/39/35/98/763393598.db2.gz GEVYEUICPUZVDX-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837364 763393605 /nfs/dbraw/zinc/39/36/05/763393605.db2.gz GEVYEUICPUZVDX-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050662484 763885258 /nfs/dbraw/zinc/88/52/58/763885258.db2.gz IOSGBKIAWBDWGL-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001050694848 763929339 /nfs/dbraw/zinc/92/93/39/763929339.db2.gz MOUHUMQVQZUMDE-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001111552371 764287194 /nfs/dbraw/zinc/28/71/94/764287194.db2.gz CXHJSLMQTZETCC-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H](C)O2 ZINC001131668684 768250172 /nfs/dbraw/zinc/25/01/72/768250172.db2.gz CABRAMFYFCNTMA-CRAIPNDOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H](C)O2 ZINC001131668684 768250175 /nfs/dbraw/zinc/25/01/75/768250175.db2.gz CABRAMFYFCNTMA-CRAIPNDOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H](C)O2 ZINC001131668684 768250178 /nfs/dbraw/zinc/25/01/78/768250178.db2.gz CABRAMFYFCNTMA-CRAIPNDOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052485974 765876359 /nfs/dbraw/zinc/87/63/59/765876359.db2.gz GHLJNZJVNDYTGI-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467756 765876524 /nfs/dbraw/zinc/87/65/24/765876524.db2.gz TULVIXVVOZVMBW-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487465 765877859 /nfs/dbraw/zinc/87/78/59/765877859.db2.gz YONCAXJXMJMGFS-KRWDZBQOSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653238 766039370 /nfs/dbraw/zinc/03/93/70/766039370.db2.gz JDYGMXBJYHRDAT-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653238 766039376 /nfs/dbraw/zinc/03/93/76/766039376.db2.gz JDYGMXBJYHRDAT-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653238 766039385 /nfs/dbraw/zinc/03/93/85/766039385.db2.gz JDYGMXBJYHRDAT-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653238 766039393 /nfs/dbraw/zinc/03/93/93/766039393.db2.gz JDYGMXBJYHRDAT-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663830 766052279 /nfs/dbraw/zinc/05/22/79/766052279.db2.gz ZZEUFGFDQJZODW-HNNXBMFYSA-N 2 1 303.406 1.559 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046377314 767487665 /nfs/dbraw/zinc/48/76/65/767487665.db2.gz IKONXVYTDNOARE-PBHICJAKSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046377314 767487669 /nfs/dbraw/zinc/48/76/69/767487669.db2.gz IKONXVYTDNOARE-PBHICJAKSA-N 2 1 302.422 1.917 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001130419406 767523481 /nfs/dbraw/zinc/52/34/81/767523481.db2.gz ZDVALIBWBMAGHW-UHFFFAOYSA-N 2 1 302.422 1.494 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491266 767674662 /nfs/dbraw/zinc/67/46/62/767674662.db2.gz YYYWMOQZFMVWRR-HOTGVXAUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046568145 767695688 /nfs/dbraw/zinc/69/56/88/767695688.db2.gz NOMWGBFFHYYTQF-RDJZCZTQSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046568145 767695691 /nfs/dbraw/zinc/69/56/91/767695691.db2.gz NOMWGBFFHYYTQF-RDJZCZTQSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568145 767695693 /nfs/dbraw/zinc/69/56/93/767695693.db2.gz NOMWGBFFHYYTQF-RDJZCZTQSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568145 767695697 /nfs/dbraw/zinc/69/56/97/767695697.db2.gz NOMWGBFFHYYTQF-RDJZCZTQSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@H]1C ZINC001132425918 768840968 /nfs/dbraw/zinc/84/09/68/768840968.db2.gz OWQBLKRYKSJNJX-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485105 768911359 /nfs/dbraw/zinc/91/13/59/768911359.db2.gz CKOCJVHBBKRUQZ-HOCLYGCPSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485105 768911365 /nfs/dbraw/zinc/91/13/65/768911365.db2.gz CKOCJVHBBKRUQZ-HOCLYGCPSA-N 2 1 320.437 1.363 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086699773 769487680 /nfs/dbraw/zinc/48/76/80/769487680.db2.gz FZBKBSVSBVHIQB-LXTVHRRPSA-N 2 1 313.873 1.954 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873101 770206737 /nfs/dbraw/zinc/20/67/37/770206737.db2.gz RIWKZLIJMRNROK-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049173355 770498653 /nfs/dbraw/zinc/49/86/53/770498653.db2.gz UGHBFUFMOAVCRL-OKILXGFUSA-N 2 1 309.841 1.225 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085830 771616665 /nfs/dbraw/zinc/61/66/65/771616665.db2.gz QMXBKOVHSJPGCJ-TWMKSMIVSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691193 772113073 /nfs/dbraw/zinc/11/30/73/772113073.db2.gz ADTDEQYAESUQKE-SJORKVTESA-N 2 1 323.481 1.234 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073672692 773288786 /nfs/dbraw/zinc/28/87/86/773288786.db2.gz PMJJJNJHIFNTFR-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001073672692 773288790 /nfs/dbraw/zinc/28/87/90/773288790.db2.gz PMJJJNJHIFNTFR-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001073672692 773288794 /nfs/dbraw/zinc/28/87/94/773288794.db2.gz PMJJJNJHIFNTFR-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001073740146 773362513 /nfs/dbraw/zinc/36/25/13/773362513.db2.gz BXHTXGWWHHEZMJ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001073740146 773362519 /nfs/dbraw/zinc/36/25/19/773362519.db2.gz BXHTXGWWHHEZMJ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001073740146 773362527 /nfs/dbraw/zinc/36/25/27/773362527.db2.gz BXHTXGWWHHEZMJ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477364 773483033 /nfs/dbraw/zinc/48/30/33/773483033.db2.gz SNKPJACYVGIUIF-QGZVFWFLSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742964 773583655 /nfs/dbraw/zinc/58/36/55/773583655.db2.gz HBQGQLJPALNKRF-QAPCUYQASA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742964 773583660 /nfs/dbraw/zinc/58/36/60/773583660.db2.gz HBQGQLJPALNKRF-QAPCUYQASA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091742964 773583666 /nfs/dbraw/zinc/58/36/66/773583666.db2.gz HBQGQLJPALNKRF-QAPCUYQASA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754603 773630468 /nfs/dbraw/zinc/63/04/68/773630468.db2.gz VOVGIWJISCXTRA-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754603 773630470 /nfs/dbraw/zinc/63/04/70/773630470.db2.gz VOVGIWJISCXTRA-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091754603 773630473 /nfs/dbraw/zinc/63/04/73/773630473.db2.gz VOVGIWJISCXTRA-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@]2(C)C1 ZINC001091776753 773815476 /nfs/dbraw/zinc/81/54/76/773815476.db2.gz OLZGDNQPSIRJMG-AEFFLSMTSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137267 774441254 /nfs/dbraw/zinc/44/12/54/774441254.db2.gz WCMFLKQMESCSKM-ZIAGYGMSSA-N 2 1 302.422 1.631 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137267 774441256 /nfs/dbraw/zinc/44/12/56/774441256.db2.gz WCMFLKQMESCSKM-ZIAGYGMSSA-N 2 1 302.422 1.631 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4nccn43)CC[C@H]21 ZINC001036771554 774561822 /nfs/dbraw/zinc/56/18/22/774561822.db2.gz JEDJMMGLBYXVKP-JKSUJKDBSA-N 2 1 322.412 1.894 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820628 774725395 /nfs/dbraw/zinc/72/53/95/774725395.db2.gz MDRNHFDTKVEAPN-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820628 774725398 /nfs/dbraw/zinc/72/53/98/774725398.db2.gz MDRNHFDTKVEAPN-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820628 774725402 /nfs/dbraw/zinc/72/54/02/774725402.db2.gz MDRNHFDTKVEAPN-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099061985 774803027 /nfs/dbraw/zinc/80/30/27/774803027.db2.gz SQPURPOPYLLAAX-WMZOPIPTSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836051 774811693 /nfs/dbraw/zinc/81/16/93/774811693.db2.gz LFSYVRPNIIUNCS-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001099122545 774850288 /nfs/dbraw/zinc/85/02/88/774850288.db2.gz ZBZSIKHZOSTGLS-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099122545 774850292 /nfs/dbraw/zinc/85/02/92/774850292.db2.gz ZBZSIKHZOSTGLS-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099122545 774850303 /nfs/dbraw/zinc/85/03/03/774850303.db2.gz ZBZSIKHZOSTGLS-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130362 774855654 /nfs/dbraw/zinc/85/56/54/774855654.db2.gz KQXFSEHTVFNFQY-HNNXBMFYSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130362 774855661 /nfs/dbraw/zinc/85/56/61/774855661.db2.gz KQXFSEHTVFNFQY-HNNXBMFYSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130362 774855671 /nfs/dbraw/zinc/85/56/71/774855671.db2.gz KQXFSEHTVFNFQY-HNNXBMFYSA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529559 775018537 /nfs/dbraw/zinc/01/85/37/775018537.db2.gz SGCLMKFCLXRWAC-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544594 775022698 /nfs/dbraw/zinc/02/26/98/775022698.db2.gz RFULKXXOAWNFOM-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544594 775022706 /nfs/dbraw/zinc/02/27/06/775022706.db2.gz RFULKXXOAWNFOM-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544594 775022715 /nfs/dbraw/zinc/02/27/15/775022715.db2.gz RFULKXXOAWNFOM-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099903232 775403391 /nfs/dbraw/zinc/40/33/91/775403391.db2.gz CJQHKOKKDOWNJC-JKSUJKDBSA-N 2 1 321.465 1.132 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC=C)CC2 ZINC001094436782 775872050 /nfs/dbraw/zinc/87/20/50/775872050.db2.gz IFQHCGYDGQRGMO-YQVWRLOYSA-N 2 1 315.461 1.631 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C)CC2 ZINC001094436782 775872057 /nfs/dbraw/zinc/87/20/57/775872057.db2.gz IFQHCGYDGQRGMO-YQVWRLOYSA-N 2 1 315.461 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C)CC2 ZINC001094436782 775872068 /nfs/dbraw/zinc/87/20/68/775872068.db2.gz IFQHCGYDGQRGMO-YQVWRLOYSA-N 2 1 315.461 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC=C)CC2 ZINC001094436782 775872070 /nfs/dbraw/zinc/87/20/70/775872070.db2.gz IFQHCGYDGQRGMO-YQVWRLOYSA-N 2 1 315.461 1.631 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001171756972 776444865 /nfs/dbraw/zinc/44/48/65/776444865.db2.gz CTXWUWGDJJZNSC-UHFFFAOYSA-N 2 1 301.434 1.476 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171758015 776447560 /nfs/dbraw/zinc/44/75/60/776447560.db2.gz SPNDMPNZNORGAZ-UHFFFAOYSA-N 2 1 306.248 1.333 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001095016558 776989510 /nfs/dbraw/zinc/98/95/10/776989510.db2.gz NDEBKXIHFNUIIN-ULQDDVLXSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101522394 777206284 /nfs/dbraw/zinc/20/62/84/777206284.db2.gz YLFSMJVOUDXGOD-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193866 777208640 /nfs/dbraw/zinc/20/86/40/777208640.db2.gz QKASQWNIHFXJOK-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081028 777860597 /nfs/dbraw/zinc/86/05/97/777860597.db2.gz JBICXFYXWSWDME-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081028 777860609 /nfs/dbraw/zinc/86/06/09/777860609.db2.gz JBICXFYXWSWDME-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081028 777860616 /nfs/dbraw/zinc/86/06/16/777860616.db2.gz JBICXFYXWSWDME-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001102081028 777860620 /nfs/dbraw/zinc/86/06/20/777860620.db2.gz JBICXFYXWSWDME-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369633 778100772 /nfs/dbraw/zinc/10/07/72/778100772.db2.gz AUZUOXLIKAYSGW-UMVBOHGHSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369633 778100778 /nfs/dbraw/zinc/10/07/78/778100778.db2.gz AUZUOXLIKAYSGW-UMVBOHGHSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369633 778100781 /nfs/dbraw/zinc/10/07/81/778100781.db2.gz AUZUOXLIKAYSGW-UMVBOHGHSA-N 2 1 313.873 1.765 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102781856 778395056 /nfs/dbraw/zinc/39/50/56/778395056.db2.gz CQLHLTUMXADCKE-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102781856 778395062 /nfs/dbraw/zinc/39/50/62/778395062.db2.gz CQLHLTUMXADCKE-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102781856 778395069 /nfs/dbraw/zinc/39/50/69/778395069.db2.gz CQLHLTUMXADCKE-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090309 778631873 /nfs/dbraw/zinc/63/18/73/778631873.db2.gz QMGVGVAZGJLUHU-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090309 778631867 /nfs/dbraw/zinc/63/18/67/778631867.db2.gz QMGVGVAZGJLUHU-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090309 778631870 /nfs/dbraw/zinc/63/18/70/778631870.db2.gz QMGVGVAZGJLUHU-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103367653 778824293 /nfs/dbraw/zinc/82/42/93/778824293.db2.gz BWOXCBZAVZWBDY-VSZNYVQBSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103367653 778824300 /nfs/dbraw/zinc/82/43/00/778824300.db2.gz BWOXCBZAVZWBDY-VSZNYVQBSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103367653 778824307 /nfs/dbraw/zinc/82/43/07/778824307.db2.gz BWOXCBZAVZWBDY-VSZNYVQBSA-N 2 1 319.493 1.814 20 30 DDEDMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C#Cc1ccc(F)cc1F ZINC001178574516 779108318 /nfs/dbraw/zinc/10/83/18/779108318.db2.gz PNNNAHOHYMGBCH-UHFFFAOYSA-N 2 1 322.359 1.380 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCOCC ZINC001178722811 779139120 /nfs/dbraw/zinc/13/91/20/779139120.db2.gz PAUCWEHUUSABJJ-KRWDZBQOSA-N 2 1 323.481 1.387 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCOCC ZINC001178722811 779139126 /nfs/dbraw/zinc/13/91/26/779139126.db2.gz PAUCWEHUUSABJJ-KRWDZBQOSA-N 2 1 323.481 1.387 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001111874838 779532747 /nfs/dbraw/zinc/53/27/47/779532747.db2.gz BDHLAQDWOPPVAS-BQFCYCMXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCN1CCN(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)C1=O ZINC001120360743 781896224 /nfs/dbraw/zinc/89/62/24/781896224.db2.gz ZDQPFHGBOUTVMR-HRCADAONSA-N 2 1 306.454 1.530 20 30 DDEDMP C=CCCC[N@H+](C)CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001267198371 837521144 /nfs/dbraw/zinc/52/11/44/837521144.db2.gz NHMOXNCYGPQGHN-INIZCTEOSA-N 2 1 319.453 1.804 20 30 DDEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001279443474 836493755 /nfs/dbraw/zinc/49/37/55/836493755.db2.gz UILJLGXXAUGCKR-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001266880441 836989714 /nfs/dbraw/zinc/98/97/14/836989714.db2.gz IOJHNCADQFVXQD-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001266948750 837099859 /nfs/dbraw/zinc/09/98/59/837099859.db2.gz GYALUWWXWCXTJV-CJNGLKHVSA-N 2 1 319.474 1.748 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1csc(C)c1 ZINC001266948750 837099870 /nfs/dbraw/zinc/09/98/70/837099870.db2.gz GYALUWWXWCXTJV-CJNGLKHVSA-N 2 1 319.474 1.748 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001268158053 839768422 /nfs/dbraw/zinc/76/84/22/839768422.db2.gz WVJOJPUZGLSGSC-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001268225815 839859923 /nfs/dbraw/zinc/85/99/23/839859923.db2.gz NWBXDAVYYIFERN-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001268225815 839859933 /nfs/dbraw/zinc/85/99/33/839859933.db2.gz NWBXDAVYYIFERN-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001269130007 841246058 /nfs/dbraw/zinc/24/60/58/841246058.db2.gz XZOCYPJNLUMKGA-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269130007 841246067 /nfs/dbraw/zinc/24/60/67/841246067.db2.gz XZOCYPJNLUMKGA-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001269130007 841246078 /nfs/dbraw/zinc/24/60/78/841246078.db2.gz XZOCYPJNLUMKGA-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001269245509 841413726 /nfs/dbraw/zinc/41/37/26/841413726.db2.gz IQOXYPVVLCHXKC-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001269245509 841413729 /nfs/dbraw/zinc/41/37/29/841413729.db2.gz IQOXYPVVLCHXKC-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001269245509 841413735 /nfs/dbraw/zinc/41/37/35/841413735.db2.gz IQOXYPVVLCHXKC-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCCC1 ZINC001269572526 841780022 /nfs/dbraw/zinc/78/00/22/841780022.db2.gz WHWVVEWERMPUPO-OAHLLOKOSA-N 2 1 314.433 1.406 20 30 DDEDMP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001326495636 861407725 /nfs/dbraw/zinc/40/77/25/861407725.db2.gz WMUGGIJLPIESKV-MRXNPFEDSA-N 2 1 313.445 1.710 20 30 DDEDMP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001326495636 861407729 /nfs/dbraw/zinc/40/77/29/861407729.db2.gz WMUGGIJLPIESKV-MRXNPFEDSA-N 2 1 313.445 1.710 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001272311586 846024301 /nfs/dbraw/zinc/02/43/01/846024301.db2.gz MMUPSWBMOQSCIW-CVEARBPZSA-N 2 1 316.449 1.904 20 30 DDEDMP CC[N@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999126 861635499 /nfs/dbraw/zinc/63/54/99/861635499.db2.gz DDWQVGAVQNPOBS-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[N@@H+](Cc1ccccc1C#N)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999126 861635517 /nfs/dbraw/zinc/63/55/17/861635517.db2.gz DDWQVGAVQNPOBS-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001272392101 846096280 /nfs/dbraw/zinc/09/62/80/846096280.db2.gz FXZNCDZITBZJIO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001272392101 846096284 /nfs/dbraw/zinc/09/62/84/846096284.db2.gz FXZNCDZITBZJIO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273127902 847960858 /nfs/dbraw/zinc/96/08/58/847960858.db2.gz JWACFCGBOSALES-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273127902 847960862 /nfs/dbraw/zinc/96/08/62/847960862.db2.gz JWACFCGBOSALES-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364169 848417584 /nfs/dbraw/zinc/41/75/84/848417584.db2.gz ILRZCNCAFNIIRT-MRXNPFEDSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364169 848417587 /nfs/dbraw/zinc/41/75/87/848417587.db2.gz ILRZCNCAFNIIRT-MRXNPFEDSA-N 2 1 317.433 1.949 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCCN(C)C1 ZINC001273143583 848555127 /nfs/dbraw/zinc/55/51/27/848555127.db2.gz IVFZQPDQWYRVAA-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143583 848555144 /nfs/dbraw/zinc/55/51/44/848555144.db2.gz IVFZQPDQWYRVAA-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143583 848555147 /nfs/dbraw/zinc/55/51/47/848555147.db2.gz IVFZQPDQWYRVAA-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001273146140 848577471 /nfs/dbraw/zinc/57/74/71/848577471.db2.gz HYXKEAQFPVJDOA-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841660 861933972 /nfs/dbraw/zinc/93/39/72/861933972.db2.gz ICTKXHKVMPCROC-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841660 861933981 /nfs/dbraw/zinc/93/39/81/861933981.db2.gz ICTKXHKVMPCROC-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841660 861933992 /nfs/dbraw/zinc/93/39/92/861933992.db2.gz ICTKXHKVMPCROC-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001327171205 861940894 /nfs/dbraw/zinc/94/08/94/861940894.db2.gz CJZDNCVNTUEIPE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001327171205 861940875 /nfs/dbraw/zinc/94/08/75/861940875.db2.gz CJZDNCVNTUEIPE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001327171205 861940884 /nfs/dbraw/zinc/94/08/84/861940884.db2.gz CJZDNCVNTUEIPE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001327171205 861940891 /nfs/dbraw/zinc/94/08/91/861940891.db2.gz CJZDNCVNTUEIPE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149849705 861942303 /nfs/dbraw/zinc/94/23/03/861942303.db2.gz UXYCPINOLJHUHX-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001327298346 862042772 /nfs/dbraw/zinc/04/27/72/862042772.db2.gz GJVBXGCWISXBHF-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399499 851216597 /nfs/dbraw/zinc/21/65/97/851216597.db2.gz GUKPEBIKZFYMIX-BZUAXINKSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320529711 852421989 /nfs/dbraw/zinc/42/19/89/852421989.db2.gz OWLSRKIETDGJKC-IHRRRGAJSA-N 2 1 301.862 1.954 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001274959265 852716748 /nfs/dbraw/zinc/71/67/48/852716748.db2.gz TWMLVZOGOCCWLL-OKZBNKHCSA-N 2 1 317.477 1.970 20 30 DDEDMP C#Cc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)cc1 ZINC001275132051 852828691 /nfs/dbraw/zinc/82/86/91/852828691.db2.gz NFHIGIPGKIITAG-MOPGFXCFSA-N 2 1 313.445 1.115 20 30 DDEDMP C=CCn1cc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cn1 ZINC001275381726 853044139 /nfs/dbraw/zinc/04/41/39/853044139.db2.gz ZVGNNMGEBRIBIP-DLBZAZTESA-N 2 1 303.454 1.137 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715778 862432872 /nfs/dbraw/zinc/43/28/72/862432872.db2.gz MDIYFEXCHUFCCW-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001279195015 853488007 /nfs/dbraw/zinc/48/80/07/853488007.db2.gz VTRYHTCYBPQHLV-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC[C@H](C)F)CC1 ZINC001276013765 854160938 /nfs/dbraw/zinc/16/09/38/854160938.db2.gz ZOHNOAQVAVSIMT-LSDHHAIUSA-N 2 1 311.445 1.516 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001328079164 862678174 /nfs/dbraw/zinc/67/81/74/862678174.db2.gz ACOFDHHWFUNUKL-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001328079164 862678175 /nfs/dbraw/zinc/67/81/75/862678175.db2.gz ACOFDHHWFUNUKL-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001328079164 862678177 /nfs/dbraw/zinc/67/81/77/862678177.db2.gz ACOFDHHWFUNUKL-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(-n2ccnc2)ccn1 ZINC001156161915 862763483 /nfs/dbraw/zinc/76/34/83/862763483.db2.gz JEPKGKODXINGFB-CQSZACIVSA-N 2 1 311.389 1.341 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049551158 856962995 /nfs/dbraw/zinc/96/29/95/856962995.db2.gz FDUWPHPNZJKFOA-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049551158 856962998 /nfs/dbraw/zinc/96/29/98/856962998.db2.gz FDUWPHPNZJKFOA-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049563562 856981231 /nfs/dbraw/zinc/98/12/31/856981231.db2.gz DCIJIOGGXAZYDM-ROUUACIJSA-N 2 1 322.412 1.955 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896276 857857559 /nfs/dbraw/zinc/85/75/59/857857559.db2.gz FVRKVICKNBRWEN-UHFFFAOYSA-N 2 1 303.450 1.725 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001072918074 857888640 /nfs/dbraw/zinc/88/86/40/857888640.db2.gz RBFJAOZVAGWOAA-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918074 857888644 /nfs/dbraw/zinc/88/86/44/857888644.db2.gz RBFJAOZVAGWOAA-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918074 857888648 /nfs/dbraw/zinc/88/86/48/857888648.db2.gz RBFJAOZVAGWOAA-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001073033461 858025493 /nfs/dbraw/zinc/02/54/93/858025493.db2.gz MCCJKYCLVVRDJK-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3C(C)C)C2)C1 ZINC001073033461 858025497 /nfs/dbraw/zinc/02/54/97/858025497.db2.gz MCCJKYCLVVRDJK-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC(C)C)C3)CC1 ZINC001073457328 858353160 /nfs/dbraw/zinc/35/31/60/858353160.db2.gz LGGLGYWAZKRKIC-UHFFFAOYSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCC=C)C3)CC1 ZINC001073457109 858353297 /nfs/dbraw/zinc/35/32/97/858353297.db2.gz AGESQXCHKKCUFX-UHFFFAOYSA-N 2 1 315.461 1.442 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121773652 858593373 /nfs/dbraw/zinc/59/33/73/858593373.db2.gz UBHOXUAWTNQFDJ-XZZVAGQJSA-N 2 1 305.466 1.777 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001325848183 860881081 /nfs/dbraw/zinc/88/10/81/860881081.db2.gz NFVYYRXOQNZYIY-KRWDZBQOSA-N 2 1 311.470 1.238 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001328672554 863140252 /nfs/dbraw/zinc/14/02/52/863140252.db2.gz OBSNGZFSCUIQSX-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001328672553 863140548 /nfs/dbraw/zinc/14/05/48/863140548.db2.gz OBSNGZFSCUIQSX-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001153313856 863818925 /nfs/dbraw/zinc/81/89/25/863818925.db2.gz YHQLQZBMOSVKOT-IAGOWNOFSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001153313856 863818929 /nfs/dbraw/zinc/81/89/29/863818929.db2.gz YHQLQZBMOSVKOT-IAGOWNOFSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001153313856 863818932 /nfs/dbraw/zinc/81/89/32/863818932.db2.gz YHQLQZBMOSVKOT-IAGOWNOFSA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001330475655 864385998 /nfs/dbraw/zinc/38/59/98/864385998.db2.gz PCZVRSDCNVJIAR-BZSNNMDCSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001158893736 864960145 /nfs/dbraw/zinc/96/01/45/864960145.db2.gz AGPFZZKYLGENFH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001158893736 864960148 /nfs/dbraw/zinc/96/01/48/864960148.db2.gz AGPFZZKYLGENFH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158893736 864960151 /nfs/dbraw/zinc/96/01/51/864960151.db2.gz AGPFZZKYLGENFH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158893736 864960154 /nfs/dbraw/zinc/96/01/54/864960154.db2.gz AGPFZZKYLGENFH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332031653 865518008 /nfs/dbraw/zinc/51/80/08/865518008.db2.gz LMDIXNKMDTUMCJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cncc(C)c1 ZINC001160197878 865722024 /nfs/dbraw/zinc/72/20/24/865722024.db2.gz LRHHYRBASCUIKM-KRWDZBQOSA-N 2 1 314.433 1.084 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cncc(C)c1 ZINC001160197878 865722028 /nfs/dbraw/zinc/72/20/28/865722028.db2.gz LRHHYRBASCUIKM-KRWDZBQOSA-N 2 1 314.433 1.084 20 30 DDEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001277053868 881899466 /nfs/dbraw/zinc/89/94/66/881899466.db2.gz XJPLNZNGPJTREE-SHTZXODSSA-N 2 1 302.422 1.514 20 30 DDEDMP C#CCN(C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001332710911 866085523 /nfs/dbraw/zinc/08/55/23/866085523.db2.gz MWCOLOUPVRIFNX-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001332710911 866085542 /nfs/dbraw/zinc/08/55/42/866085542.db2.gz MWCOLOUPVRIFNX-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001332710911 866085559 /nfs/dbraw/zinc/08/55/59/866085559.db2.gz MWCOLOUPVRIFNX-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)C ZINC001332710911 866085578 /nfs/dbraw/zinc/08/55/78/866085578.db2.gz MWCOLOUPVRIFNX-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C(C)C ZINC001332710911 866085596 /nfs/dbraw/zinc/08/55/96/866085596.db2.gz MWCOLOUPVRIFNX-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C(C)(C)C ZINC001332822906 866168733 /nfs/dbraw/zinc/16/87/33/866168733.db2.gz FOJVXORHJPMBAD-OAHLLOKOSA-N 2 1 320.437 1.494 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001381503372 881971132 /nfs/dbraw/zinc/97/11/32/881971132.db2.gz RGCAHQZUCOPLGD-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001381503372 881971143 /nfs/dbraw/zinc/97/11/43/881971143.db2.gz RGCAHQZUCOPLGD-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001381503372 881971155 /nfs/dbraw/zinc/97/11/55/881971155.db2.gz RGCAHQZUCOPLGD-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C#CC[NH+](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCCC1 ZINC001323709246 866787685 /nfs/dbraw/zinc/78/76/85/866787685.db2.gz XYUCQDHDSZXPGD-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCCC1 ZINC001323709246 866787696 /nfs/dbraw/zinc/78/76/96/866787696.db2.gz XYUCQDHDSZXPGD-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001323709246 866787705 /nfs/dbraw/zinc/78/77/05/866787705.db2.gz XYUCQDHDSZXPGD-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+](CCNC(=O)[C@@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001323709246 866787722 /nfs/dbraw/zinc/78/77/22/866787722.db2.gz XYUCQDHDSZXPGD-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161698950 866903500 /nfs/dbraw/zinc/90/35/00/866903500.db2.gz GXGJSSNIRPQRMY-ZWKOTPCHSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001161755469 866969620 /nfs/dbraw/zinc/96/96/20/866969620.db2.gz YUTKYXXIOCWMSF-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755469 866969631 /nfs/dbraw/zinc/96/96/31/866969631.db2.gz YUTKYXXIOCWMSF-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CCC)CC1 ZINC001161755469 866969645 /nfs/dbraw/zinc/96/96/45/866969645.db2.gz YUTKYXXIOCWMSF-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161863094 867040980 /nfs/dbraw/zinc/04/09/80/867040980.db2.gz MVPHUNDGLBUYQB-KRWDZBQOSA-N 2 1 321.465 1.279 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161863094 867040991 /nfs/dbraw/zinc/04/09/91/867040991.db2.gz MVPHUNDGLBUYQB-KRWDZBQOSA-N 2 1 321.465 1.279 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161863094 867041007 /nfs/dbraw/zinc/04/10/07/867041007.db2.gz MVPHUNDGLBUYQB-KRWDZBQOSA-N 2 1 321.465 1.279 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001324287410 867182334 /nfs/dbraw/zinc/18/23/34/867182334.db2.gz ZWKOJAFERNELAX-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163164140 868177287 /nfs/dbraw/zinc/17/72/87/868177287.db2.gz QHLBWHFUWHGBPD-UMVBOHGHSA-N 2 1 313.405 1.654 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C)c2)CC1 ZINC001335398891 868270622 /nfs/dbraw/zinc/27/06/22/868270622.db2.gz UKTJAZZMJJTTLC-SFHVURJKSA-N 2 1 316.445 1.812 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001325761294 868333303 /nfs/dbraw/zinc/33/33/03/868333303.db2.gz IRXFFHKUIWEOPO-IYBDPMFKSA-N 2 1 305.466 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001325761294 868333318 /nfs/dbraw/zinc/33/33/18/868333318.db2.gz IRXFFHKUIWEOPO-IYBDPMFKSA-N 2 1 305.466 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001325761294 868333331 /nfs/dbraw/zinc/33/33/31/868333331.db2.gz IRXFFHKUIWEOPO-IYBDPMFKSA-N 2 1 305.466 1.378 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163311096 868338139 /nfs/dbraw/zinc/33/81/39/868338139.db2.gz QLQCMOIJQCFGIP-SUMWQHHRSA-N 2 1 313.405 1.940 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC001336779293 869136304 /nfs/dbraw/zinc/13/63/04/869136304.db2.gz IMMXPDFCOCSZNC-LJQANCHMSA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001337884661 869668479 /nfs/dbraw/zinc/66/84/79/869668479.db2.gz KCUWUGKLFPMMJT-YVSFHVDLSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@@H]2C1 ZINC001337884661 869668482 /nfs/dbraw/zinc/66/84/82/869668482.db2.gz KCUWUGKLFPMMJT-YVSFHVDLSA-N 2 1 303.450 1.273 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC1(C[NH2+]CC#CCOC)CC1 ZINC001165809950 869719678 /nfs/dbraw/zinc/71/96/78/869719678.db2.gz VNUIXFLXEGIMSN-UHFFFAOYSA-N 2 1 323.481 1.243 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226340531 882367586 /nfs/dbraw/zinc/36/75/86/882367586.db2.gz DWOFOEDHPHADHL-YLFCFFPRSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317160787 870387559 /nfs/dbraw/zinc/38/75/59/870387559.db2.gz GLARQIMUKKYYIV-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cncs1 ZINC001317396865 870766235 /nfs/dbraw/zinc/76/62/35/870766235.db2.gz RHKOLGUVIMLYEK-ZFWWWQNUSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cncs1 ZINC001317396865 870766241 /nfs/dbraw/zinc/76/62/41/870766241.db2.gz RHKOLGUVIMLYEK-ZFWWWQNUSA-N 2 1 320.462 1.225 20 30 DDEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317528062 871000056 /nfs/dbraw/zinc/00/00/56/871000056.db2.gz GNUPSQNJAJWXPH-PBHICJAKSA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317528062 871000073 /nfs/dbraw/zinc/00/00/73/871000073.db2.gz GNUPSQNJAJWXPH-PBHICJAKSA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317528062 871000091 /nfs/dbraw/zinc/00/00/91/871000091.db2.gz GNUPSQNJAJWXPH-PBHICJAKSA-N 2 1 311.445 1.823 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=C)C)CC1 ZINC001205479651 871575305 /nfs/dbraw/zinc/57/53/05/871575305.db2.gz QYJTYQCKWWIXME-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=C)C)CC1 ZINC001205479651 871575325 /nfs/dbraw/zinc/57/53/25/871575325.db2.gz QYJTYQCKWWIXME-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317930851 871632113 /nfs/dbraw/zinc/63/21/13/871632113.db2.gz KAWQPYTZZNYIJK-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317930851 871632121 /nfs/dbraw/zinc/63/21/21/871632121.db2.gz KAWQPYTZZNYIJK-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001317930851 871632131 /nfs/dbraw/zinc/63/21/31/871632131.db2.gz KAWQPYTZZNYIJK-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC001341768081 871816474 /nfs/dbraw/zinc/81/64/74/871816474.db2.gz PCZBSEFOWOXEAG-HZPDHXFCSA-N 2 1 317.433 1.852 20 30 DDEDMP CC#CC[NH+]1CCC(N(CCC)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001317006064 871893124 /nfs/dbraw/zinc/89/31/24/871893124.db2.gz LCGZNXBBQRRQFV-UHFFFAOYSA-N 2 1 316.449 1.918 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001316772939 872021454 /nfs/dbraw/zinc/02/14/54/872021454.db2.gz QKPMELSMFLPPMJ-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165263 872102507 /nfs/dbraw/zinc/10/25/07/872102507.db2.gz NBSDXGRPGOJZIU-GJZGRUSLSA-N 2 1 306.381 1.968 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165263 872102518 /nfs/dbraw/zinc/10/25/18/872102518.db2.gz NBSDXGRPGOJZIU-GJZGRUSLSA-N 2 1 306.381 1.968 20 30 DDEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001319246560 872517609 /nfs/dbraw/zinc/51/76/09/872517609.db2.gz RHJNXKOHDUZVCL-YOEHRIQHSA-N 2 1 311.445 1.564 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCC)CCCC1 ZINC001319362827 872597227 /nfs/dbraw/zinc/59/72/27/872597227.db2.gz ZERLGNXGBJKRRE-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOCC)CCCC1 ZINC001319362827 872597234 /nfs/dbraw/zinc/59/72/34/872597234.db2.gz ZERLGNXGBJKRRE-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001344677921 873074068 /nfs/dbraw/zinc/07/40/68/873074068.db2.gz BHIZWTJWJCQONB-BHYGNILZSA-N 2 1 321.465 1.395 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331025 874020589 /nfs/dbraw/zinc/02/05/89/874020589.db2.gz JJIHVUJUCWODQI-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC=C)C1 ZINC001208356285 874052093 /nfs/dbraw/zinc/05/20/93/874052093.db2.gz NUZCDDAGZBOHIX-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCC=C)C1 ZINC001208356285 874052111 /nfs/dbraw/zinc/05/21/11/874052111.db2.gz NUZCDDAGZBOHIX-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208415665 874123940 /nfs/dbraw/zinc/12/39/40/874123940.db2.gz QITVPTUPQDLFFM-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208415665 874123944 /nfs/dbraw/zinc/12/39/44/874123944.db2.gz QITVPTUPQDLFFM-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208415665 874123949 /nfs/dbraw/zinc/12/39/49/874123949.db2.gz QITVPTUPQDLFFM-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208415665 874123954 /nfs/dbraw/zinc/12/39/54/874123954.db2.gz QITVPTUPQDLFFM-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001378170386 874323860 /nfs/dbraw/zinc/32/38/60/874323860.db2.gz IEVDIWAVLODQFL-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001378170386 874323878 /nfs/dbraw/zinc/32/38/78/874323878.db2.gz IEVDIWAVLODQFL-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001378170386 874323895 /nfs/dbraw/zinc/32/38/95/874323895.db2.gz IEVDIWAVLODQFL-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1C#N ZINC001276608915 874608361 /nfs/dbraw/zinc/60/83/61/874608361.db2.gz XCXRJZWYGZDOBX-IRXDYDNUSA-N 2 1 301.438 1.107 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211176526 875696592 /nfs/dbraw/zinc/69/65/92/875696592.db2.gz LPBKGTHPGSAXCJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176526 875696606 /nfs/dbraw/zinc/69/66/06/875696606.db2.gz LPBKGTHPGSAXCJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366387 875773071 /nfs/dbraw/zinc/77/30/71/875773071.db2.gz AMPOGQNXMCWFGK-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366387 875773076 /nfs/dbraw/zinc/77/30/76/875773076.db2.gz AMPOGQNXMCWFGK-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213925853 876103094 /nfs/dbraw/zinc/10/30/94/876103094.db2.gz SRSWEUWILLYXND-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213925853 876103097 /nfs/dbraw/zinc/10/30/97/876103097.db2.gz SRSWEUWILLYXND-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539897 876745324 /nfs/dbraw/zinc/74/53/24/876745324.db2.gz BVZWJHNFRTVFOJ-RKVPGOIHSA-N 2 1 323.456 1.659 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934195 876825006 /nfs/dbraw/zinc/82/50/06/876825006.db2.gz HPJANZMWLRPKJB-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934368 876825149 /nfs/dbraw/zinc/82/51/49/876825149.db2.gz PWVGGRVTZVCYPQ-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379350960 876893386 /nfs/dbraw/zinc/89/33/86/876893386.db2.gz YGHDQRKRUWNFQF-CJNGLKHVSA-N 2 1 300.406 1.247 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008898 878647606 /nfs/dbraw/zinc/64/76/06/878647606.db2.gz MUPNAIKDWSOKGP-CVEARBPZSA-N 2 1 314.389 1.075 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091588 879489597 /nfs/dbraw/zinc/48/95/97/879489597.db2.gz RFOINZHEVTUFEY-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616942 879973827 /nfs/dbraw/zinc/97/38/27/879973827.db2.gz XFCIYSWOMHSCBZ-ZACQAIPSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221792780 880087731 /nfs/dbraw/zinc/08/77/31/880087731.db2.gz CLXSTMJSZVAZPI-BRWVUGGUSA-N 2 1 323.481 1.308 20 30 DDEDMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC#CC[NH+](C)C ZINC001221794748 880088505 /nfs/dbraw/zinc/08/85/05/880088505.db2.gz WHBVUKRWKVSHBZ-INIZCTEOSA-N 2 1 308.470 1.505 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228166932 883370029 /nfs/dbraw/zinc/37/00/29/883370029.db2.gz DXSYVKLOTHXUGG-ZACQAIPSSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228166932 883370047 /nfs/dbraw/zinc/37/00/47/883370047.db2.gz DXSYVKLOTHXUGG-ZACQAIPSSA-N 2 1 323.481 1.689 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001230279885 884406162 /nfs/dbraw/zinc/40/61/62/884406162.db2.gz JRLKRSYQCDTGDI-KURKYZTESA-N 2 1 313.445 1.940 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001363194003 885682062 /nfs/dbraw/zinc/68/20/62/885682062.db2.gz CPPAZFFNIIXUIV-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001363194003 885682070 /nfs/dbraw/zinc/68/20/70/885682070.db2.gz CPPAZFFNIIXUIV-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277538666 885749827 /nfs/dbraw/zinc/74/98/27/885749827.db2.gz RXDKEWOBPHOBNH-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP COCC[N@H+](Cc1cc(C#N)ccn1)CC1CC[NH+](C)CC1 ZINC001363275948 885884276 /nfs/dbraw/zinc/88/42/76/885884276.db2.gz DIEAJMFDEAGAFY-UHFFFAOYSA-N 2 1 302.422 1.743 20 30 DDEDMP COc1cc(C#N)ccc1OCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363292042 885928182 /nfs/dbraw/zinc/92/81/82/885928182.db2.gz AHMOCYYUZWKJKS-CVEARBPZSA-N 2 1 315.417 1.829 20 30 DDEDMP COc1cc(C#N)ccc1OCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001363292042 885928192 /nfs/dbraw/zinc/92/81/92/885928192.db2.gz AHMOCYYUZWKJKS-CVEARBPZSA-N 2 1 315.417 1.829 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001277662074 886346793 /nfs/dbraw/zinc/34/67/93/886346793.db2.gz DKHMATXYSGVILO-MRXNPFEDSA-N 2 1 320.437 1.753 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)s1 ZINC001232842967 886630046 /nfs/dbraw/zinc/63/00/46/886630046.db2.gz HHGZLXYFSMFHGO-JKSUJKDBSA-N 2 1 304.463 1.830 20 30 DDEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277937229 888552484 /nfs/dbraw/zinc/55/24/84/888552484.db2.gz BOQJWDUJPUKXHT-RHSMWYFYSA-N 2 1 311.445 1.659 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@@H]2C1 ZINC001235609385 888799689 /nfs/dbraw/zinc/79/96/89/888799689.db2.gz KQNOWNUZXXPRPH-SJLPKXTDSA-N 2 1 301.434 1.600 20 30 DDEDMP CC1(C#N)CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC001364593194 888994995 /nfs/dbraw/zinc/99/49/95/888994995.db2.gz COBORRYOCAOVDE-LXPRWKDFSA-N 2 1 320.481 1.455 20 30 DDEDMP Cn1cc(C[NH+]2CC3(CN(CC[NH+]4CCCC4)C3)C2)cc1C#N ZINC001278059374 889520390 /nfs/dbraw/zinc/52/03/90/889520390.db2.gz CLUHXAOMIOSQCG-UHFFFAOYSA-N 2 1 313.449 1.110 20 30 DDEDMP N#C[C@@H]1C[C@H]([N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)CCN1 ZINC001246682409 892783415 /nfs/dbraw/zinc/78/34/15/892783415.db2.gz CIGSBRMUAXCBIG-MANSERQUSA-N 2 1 310.445 1.710 20 30 DDEDMP CCCCCCC[C@@H](C)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925684 892993587 /nfs/dbraw/zinc/99/35/87/892993587.db2.gz OOJBWFYKIOQRDW-MRXNPFEDSA-N 3 1 314.518 1.851 20 30 DDEDMP CCCCCCC[C@@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925684 892993594 /nfs/dbraw/zinc/99/35/94/892993594.db2.gz OOJBWFYKIOQRDW-MRXNPFEDSA-N 2 1 314.518 1.851 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001252451651 895158092 /nfs/dbraw/zinc/15/80/92/895158092.db2.gz UEIUDFYCOKTUFM-GOSISDBHSA-N 2 1 304.434 1.804 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001368029624 898524943 /nfs/dbraw/zinc/52/49/43/898524943.db2.gz SYMIVHJYMUUMHF-LLVKDONJSA-N 2 1 318.259 1.474 20 30 DDEDMP C#CC[N@@H+](C[C@@H](O)C(C)C)C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC001262019518 899897653 /nfs/dbraw/zinc/89/76/53/899897653.db2.gz UOHBKNPDXVBKON-QZTJIDSGSA-N 2 1 310.482 1.420 20 30 DDEDMP C#CC[N@H+](C[C@@H](O)C(C)C)C1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC001262019518 899897657 /nfs/dbraw/zinc/89/76/57/899897657.db2.gz UOHBKNPDXVBKON-QZTJIDSGSA-N 2 1 310.482 1.420 20 30 DDEDMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001390774862 900149690 /nfs/dbraw/zinc/14/96/90/900149690.db2.gz YQXKGRQLYBMGFV-KRWDZBQOSA-N 2 1 316.449 1.692 20 30 DDEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001264077255 900913926 /nfs/dbraw/zinc/91/39/26/900913926.db2.gz WIOVHZLJFKSZED-DLBZAZTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001264077255 900913936 /nfs/dbraw/zinc/91/39/36/900913936.db2.gz WIOVHZLJFKSZED-DLBZAZTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001264077255 900913942 /nfs/dbraw/zinc/91/39/42/900913942.db2.gz WIOVHZLJFKSZED-DLBZAZTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001264078012 900915200 /nfs/dbraw/zinc/91/52/00/900915200.db2.gz AVSCRIMPEQQSNB-KRWDZBQOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001264724825 901312163 /nfs/dbraw/zinc/31/21/63/901312163.db2.gz JMZZGOVAQABUTA-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC001279368191 903237025 /nfs/dbraw/zinc/23/70/25/903237025.db2.gz JFIJYLYCTAHTRF-UHFFFAOYSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001370768857 903711672 /nfs/dbraw/zinc/71/16/72/903711672.db2.gz DAOUNZXDSAKLDZ-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001370768857 903711684 /nfs/dbraw/zinc/71/16/84/903711684.db2.gz DAOUNZXDSAKLDZ-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001281015602 904322150 /nfs/dbraw/zinc/32/21/50/904322150.db2.gz FUEVECFGXLSJFM-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001281137011 904459730 /nfs/dbraw/zinc/45/97/30/904459730.db2.gz IBKAUUPLXUORPK-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001392577186 904514056 /nfs/dbraw/zinc/51/40/56/904514056.db2.gz SIEQZQOGKLYFFA-WMLDXEAASA-N 2 1 314.433 1.637 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001371307362 904666398 /nfs/dbraw/zinc/66/63/98/904666398.db2.gz CFCZCQAIZLFIJV-BXUZGUMPSA-N 2 1 306.435 1.308 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001281751512 905199210 /nfs/dbraw/zinc/19/92/10/905199210.db2.gz VKPFKMLRKLXVIL-IRXDYDNUSA-N 2 1 323.481 1.384 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001282875025 906138097 /nfs/dbraw/zinc/13/80/97/906138097.db2.gz FDSUTLWSDYAJEM-OSYLJGHBSA-N 2 1 303.450 1.036 20 30 DDEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001283471263 907406559 /nfs/dbraw/zinc/40/65/59/907406559.db2.gz KVFMVIUYNHXUPV-DLBZAZTESA-N 2 1 321.465 1.139 20 30 DDEDMP CC(C)(C)c1cnc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)o1 ZINC000081802376 353694004 /nfs/dbraw/zinc/69/40/04/353694004.db2.gz VXCRHCCMUUIDNL-UHFFFAOYSA-N 2 1 323.441 1.099 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)C#N)CC2)CC1 ZINC000584849599 354784053 /nfs/dbraw/zinc/78/40/53/354784053.db2.gz IZUHTMSJLKXRSZ-CQSZACIVSA-N 2 1 306.454 1.459 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C#N)n1 ZINC000596932568 357018345 /nfs/dbraw/zinc/01/83/45/357018345.db2.gz AWQOODZWXGRZEW-ZDUSSCGKSA-N 2 1 318.425 1.347 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C#N)n1 ZINC000596932568 357018348 /nfs/dbraw/zinc/01/83/48/357018348.db2.gz AWQOODZWXGRZEW-ZDUSSCGKSA-N 2 1 318.425 1.347 20 30 DDEDMP CN(CC[N@@H+](C)C[C@H](O)CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000598599379 357648509 /nfs/dbraw/zinc/64/85/09/357648509.db2.gz MUCOGSNUCJJNLY-MRXNPFEDSA-N 2 1 310.486 1.245 20 30 DDEDMP C[C@@H]1CN(C(=[NH2+])NC[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000262465079 296767880 /nfs/dbraw/zinc/76/78/80/296767880.db2.gz NNURRVGODLZOPR-ZIAGYGMSSA-N 2 1 322.478 1.920 20 30 DDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCCC#N)CC2)CC1 ZINC000109789892 407397648 /nfs/dbraw/zinc/39/76/48/407397648.db2.gz XPARGDVNEJYYBD-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000114480530 407584541 /nfs/dbraw/zinc/58/45/41/407584541.db2.gz SAGZFEHZLZPHEE-HNNXBMFYSA-N 2 1 300.406 1.770 20 30 DDEDMP C=CCNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264083887 408362794 /nfs/dbraw/zinc/36/27/94/408362794.db2.gz IGHJDJRKOBGITB-QGZVFWFLSA-N 2 1 315.465 1.456 20 30 DDEDMP C=CCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000264083887 408362800 /nfs/dbraw/zinc/36/28/00/408362800.db2.gz IGHJDJRKOBGITB-QGZVFWFLSA-N 2 1 315.465 1.456 20 30 DDEDMP C=CCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000264083887 408362805 /nfs/dbraw/zinc/36/28/05/408362805.db2.gz IGHJDJRKOBGITB-QGZVFWFLSA-N 2 1 315.465 1.456 20 30 DDEDMP C[N@H+]1CCCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288632333 409172311 /nfs/dbraw/zinc/17/23/11/409172311.db2.gz BEYDNAJEXYTIBD-UHFFFAOYSA-N 2 1 311.380 1.329 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000285113305 409399835 /nfs/dbraw/zinc/39/98/35/409399835.db2.gz PLAOVGFAFBRYFQ-IRXDYDNUSA-N 2 1 316.449 1.929 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000285113305 409399839 /nfs/dbraw/zinc/39/98/39/409399839.db2.gz PLAOVGFAFBRYFQ-IRXDYDNUSA-N 2 1 316.449 1.929 20 30 DDEDMP C=CC[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000352373472 410650700 /nfs/dbraw/zinc/65/07/00/410650700.db2.gz KDFAFCNPEIPJSB-UHFFFAOYSA-N 2 1 301.438 2.529 20 30 DDEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000195291179 222196351 /nfs/dbraw/zinc/19/63/51/222196351.db2.gz UIJLHHWGIHMGDH-MRXNPFEDSA-N 2 1 302.422 1.155 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261632081 222252794 /nfs/dbraw/zinc/25/27/94/222252794.db2.gz JQZCIZADYNUFIX-SLBVQIDZSA-N 2 1 318.465 1.346 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261632081 222252797 /nfs/dbraw/zinc/25/27/97/222252797.db2.gz JQZCIZADYNUFIX-SLBVQIDZSA-N 2 1 318.465 1.346 20 30 DDEDMP C[NH+]=C(NCc1cccs1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261809931 222258453 /nfs/dbraw/zinc/25/84/53/222258453.db2.gz SMXRCQIMMIOTFM-CQSZACIVSA-N 2 1 322.478 1.478 20 30 DDEDMP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1CCC[N@H+]1C ZINC000261839663 222259073 /nfs/dbraw/zinc/25/90/73/222259073.db2.gz WJXIQWGANRZKBF-CYBMUJFWSA-N 2 1 309.483 1.562 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262513068 222284909 /nfs/dbraw/zinc/28/49/09/222284909.db2.gz DVZFWNPZOZBPRQ-LXTVHRRPSA-N 2 1 308.470 1.579 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)N1 ZINC000262646012 222287988 /nfs/dbraw/zinc/28/79/88/222287988.db2.gz JBVYFMXNQUVSQH-ZIAGYGMSSA-N 2 1 302.422 1.345 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)N1 ZINC000262646012 222287991 /nfs/dbraw/zinc/28/79/91/222287991.db2.gz JBVYFMXNQUVSQH-ZIAGYGMSSA-N 2 1 302.422 1.345 20 30 DDEDMP CCN1CC[NH+](Cc2ccccc2CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262659709 222289133 /nfs/dbraw/zinc/28/91/33/222289133.db2.gz MOXZPXYDPMRAHG-HNNXBMFYSA-N 2 1 315.465 1.261 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(F)cccc1F ZINC000264086309 222315351 /nfs/dbraw/zinc/31/53/51/222315351.db2.gz JLXNYZDQIOTPMR-LBPRGKRZSA-N 2 1 310.392 1.896 20 30 DDEDMP CCc1cccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000264084658 222315791 /nfs/dbraw/zinc/31/57/91/222315791.db2.gz IUJAOPWMYYKORH-OAHLLOKOSA-N 2 1 317.481 1.859 20 30 DDEDMP C#CCOc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000267410601 222384006 /nfs/dbraw/zinc/38/40/06/222384006.db2.gz IFHLQTULYYUYMK-MRXNPFEDSA-N 2 1 314.433 1.587 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000267478059 222386593 /nfs/dbraw/zinc/38/65/93/222386593.db2.gz ZYBHWDRJLFCUBE-CQSZACIVSA-N 2 1 319.409 1.526 20 30 DDEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)N(C)C ZINC000364391702 418776331 /nfs/dbraw/zinc/77/63/31/418776331.db2.gz REVJFLZMDBAWBS-INIZCTEOSA-N 2 1 303.454 1.773 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C(CC)CC)N1CCOCC1 ZINC000491816014 421204262 /nfs/dbraw/zinc/20/42/62/421204262.db2.gz VUSSKUZJFLMHBF-QGZVFWFLSA-N 2 1 323.481 1.195 20 30 DDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000557874808 421793617 /nfs/dbraw/zinc/79/36/17/421793617.db2.gz CIBOXJPEDZNWIY-MAUKXSAKSA-N 2 1 312.417 1.786 20 30 DDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000557874808 421793620 /nfs/dbraw/zinc/79/36/20/421793620.db2.gz CIBOXJPEDZNWIY-MAUKXSAKSA-N 2 1 312.417 1.786 20 30 DDEDMP C=CCN(CCOC)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639608689 423602225 /nfs/dbraw/zinc/60/22/25/423602225.db2.gz MGFRVQGKKRRRBD-GOSISDBHSA-N 2 1 304.434 1.758 20 30 DDEDMP C=CC[N@@H+](CCOC)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000639608689 423602229 /nfs/dbraw/zinc/60/22/29/423602229.db2.gz MGFRVQGKKRRRBD-GOSISDBHSA-N 2 1 304.434 1.758 20 30 DDEDMP C=CC[N@H+](CCOC)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000639608689 423602235 /nfs/dbraw/zinc/60/22/35/423602235.db2.gz MGFRVQGKKRRRBD-GOSISDBHSA-N 2 1 304.434 1.758 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528474161 267289070 /nfs/dbraw/zinc/28/90/70/267289070.db2.gz HVWKMUWHUHTPJO-DLBZAZTESA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528474161 267289074 /nfs/dbraw/zinc/28/90/74/267289074.db2.gz HVWKMUWHUHTPJO-DLBZAZTESA-N 2 1 317.433 1.714 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000162696117 298201515 /nfs/dbraw/zinc/20/15/15/298201515.db2.gz SFORYVMDUZNSDL-UHFFFAOYSA-N 2 1 301.398 1.323 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000162696117 298201517 /nfs/dbraw/zinc/20/15/17/298201517.db2.gz SFORYVMDUZNSDL-UHFFFAOYSA-N 2 1 301.398 1.323 20 30 DDEDMP C[NH+]1CCC(N2CCC([NH2+]Cc3nc(C#N)cs3)CC2)CC1 ZINC000518445467 332044240 /nfs/dbraw/zinc/04/42/40/332044240.db2.gz LZTIFBKYNVRZTQ-UHFFFAOYSA-N 2 1 319.478 1.663 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000491625956 526815379 /nfs/dbraw/zinc/81/53/79/526815379.db2.gz IAYHNCJNTQGRRZ-QGZVFWFLSA-N 2 1 322.497 1.753 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000491625956 526815384 /nfs/dbraw/zinc/81/53/84/526815384.db2.gz IAYHNCJNTQGRRZ-QGZVFWFLSA-N 2 1 322.497 1.753 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000491625956 526815389 /nfs/dbraw/zinc/81/53/89/526815389.db2.gz IAYHNCJNTQGRRZ-QGZVFWFLSA-N 2 1 322.497 1.753 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000491126346 527025922 /nfs/dbraw/zinc/02/59/22/527025922.db2.gz NETZTGCQAXJSLB-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C(C)C ZINC000491296918 527385174 /nfs/dbraw/zinc/38/51/74/527385174.db2.gz NXFAGMANRYVVJZ-SJORKVTESA-N 2 1 322.497 1.702 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980239301 696716267 /nfs/dbraw/zinc/71/62/67/696716267.db2.gz MUNPUKYCUOYRSR-ULQDDVLXSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974651997 695704740 /nfs/dbraw/zinc/70/47/40/695704740.db2.gz OKCDBNMECFXNIM-DLBZAZTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974651997 695704741 /nfs/dbraw/zinc/70/47/41/695704741.db2.gz OKCDBNMECFXNIM-DLBZAZTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974651997 695704745 /nfs/dbraw/zinc/70/47/45/695704745.db2.gz OKCDBNMECFXNIM-DLBZAZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978203201 696341107 /nfs/dbraw/zinc/34/11/07/696341107.db2.gz WVARMTHRQHPZGE-LUKYLMHMSA-N 2 1 303.450 1.198 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978979861 696482362 /nfs/dbraw/zinc/48/23/62/696482362.db2.gz YOEYTAKWCMDCON-XMQYKBBCSA-N 2 1 300.406 1.241 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138462 696689877 /nfs/dbraw/zinc/68/98/77/696689877.db2.gz CXXCVIGOPAFUDM-BBWFWOEESA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138462 696689878 /nfs/dbraw/zinc/68/98/78/696689878.db2.gz CXXCVIGOPAFUDM-BBWFWOEESA-N 2 1 316.449 1.984 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799029197 700110908 /nfs/dbraw/zinc/11/09/08/700110908.db2.gz VEKASIJOHAQQMD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC2(CC[NH+](C)CC2)C1 ZINC000799029197 700110910 /nfs/dbraw/zinc/11/09/10/700110910.db2.gz VEKASIJOHAQQMD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981809972 696925651 /nfs/dbraw/zinc/92/56/51/696925651.db2.gz JHVDFPAQNCHIOD-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812203 696926759 /nfs/dbraw/zinc/92/67/59/696926759.db2.gz JQQZENYDATVGNY-MRXNPFEDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981152927 697019726 /nfs/dbraw/zinc/01/97/26/697019726.db2.gz PLYLMBLRHNWBBF-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152927 697019727 /nfs/dbraw/zinc/01/97/27/697019727.db2.gz PLYLMBLRHNWBBF-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152927 697019730 /nfs/dbraw/zinc/01/97/30/697019730.db2.gz PLYLMBLRHNWBBF-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982160919 697045548 /nfs/dbraw/zinc/04/55/48/697045548.db2.gz GDJUYXRTRYKTSI-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CCCO1 ZINC000195165233 697733122 /nfs/dbraw/zinc/73/31/22/697733122.db2.gz DRFJHOOFSFVGDT-IRXDYDNUSA-N 2 1 316.449 1.592 20 30 DDEDMP Cc1ccc([C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000195522711 697746210 /nfs/dbraw/zinc/74/62/10/697746210.db2.gz FRZDRMACZXAJOE-JKSUJKDBSA-N 2 1 304.438 1.681 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261970895 698447963 /nfs/dbraw/zinc/44/79/63/698447963.db2.gz MSVKDKVIKFMLDX-KBEGMRNHSA-N 2 1 322.497 1.575 20 30 DDEDMP C[NH+]=C(NCC1(O)CCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262768600 698479856 /nfs/dbraw/zinc/47/98/56/698479856.db2.gz GVEYJUSDHDEOQN-GOOCMWNKSA-N 2 1 308.470 1.472 20 30 DDEDMP CCNC(NC[C@H](c1cccs1)N1CC[NH+](C)CC1)=[NH+]CC ZINC000750541971 700230144 /nfs/dbraw/zinc/23/01/44/700230144.db2.gz GYQRVXGDHVLPOU-CQSZACIVSA-N 2 1 323.510 1.612 20 30 DDEDMP CCOCCCNC(=[NH2+])NCc1cccc(C[N@@H+](C)CC)c1 ZINC000303866435 698607805 /nfs/dbraw/zinc/60/78/05/698607805.db2.gz CKABGRJGMLTWPQ-UHFFFAOYSA-N 2 1 306.454 1.969 20 30 DDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2cccc(C)c2)CC1 ZINC000303877625 698608158 /nfs/dbraw/zinc/60/81/58/698608158.db2.gz IUSHJPGGIOZJMM-MRXNPFEDSA-N 2 1 317.481 1.995 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989451579 698626626 /nfs/dbraw/zinc/62/66/26/698626626.db2.gz UEBRIQZBEPRCNI-ZIAGYGMSSA-N 2 1 316.405 1.096 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989614831 698695985 /nfs/dbraw/zinc/69/59/85/698695985.db2.gz MVTGWWMZAPOCJT-UKRRQHHQSA-N 2 1 311.389 1.646 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730277799 699505865 /nfs/dbraw/zinc/50/58/65/699505865.db2.gz DWSQBSZOCIDFQG-BZSNNMDCSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730277799 699505867 /nfs/dbraw/zinc/50/58/67/699505867.db2.gz DWSQBSZOCIDFQG-BZSNNMDCSA-N 2 1 319.493 1.958 20 30 DDEDMP CCCC[N@@H+](C)CC1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852859061 704150736 /nfs/dbraw/zinc/15/07/36/704150736.db2.gz NKTVIQQQJSZDJL-UHFFFAOYSA-N 2 1 319.493 1.960 20 30 DDEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC#CCOC)C2)ccn1 ZINC000856586879 704533033 /nfs/dbraw/zinc/53/30/33/704533033.db2.gz UPWZVXYWOBNKDZ-SFHVURJKSA-N 2 1 317.433 1.636 20 30 DDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC#CCOC)C2)ccn1 ZINC000856586879 704533034 /nfs/dbraw/zinc/53/30/34/704533034.db2.gz UPWZVXYWOBNKDZ-SFHVURJKSA-N 2 1 317.433 1.636 20 30 DDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC#CCOC)C2)ccn1 ZINC000856586879 704533035 /nfs/dbraw/zinc/53/30/35/704533035.db2.gz UPWZVXYWOBNKDZ-SFHVURJKSA-N 2 1 317.433 1.636 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876727856 705842872 /nfs/dbraw/zinc/84/28/72/705842872.db2.gz UBFBFEZHJWSDHU-KBXCAEBGSA-N 2 1 324.428 1.346 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000836491541 707472324 /nfs/dbraw/zinc/47/23/24/707472324.db2.gz XOGJFNJOPVARBU-KRWDZBQOSA-N 2 1 322.497 1.751 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000884298570 708232072 /nfs/dbraw/zinc/23/20/72/708232072.db2.gz WIXRUOVDWRLIEG-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000884298570 708232076 /nfs/dbraw/zinc/23/20/76/708232076.db2.gz WIXRUOVDWRLIEG-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000884298570 708232079 /nfs/dbraw/zinc/23/20/79/708232079.db2.gz WIXRUOVDWRLIEG-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000884298570 708232083 /nfs/dbraw/zinc/23/20/83/708232083.db2.gz WIXRUOVDWRLIEG-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP CN(CC[N@@H+](C)C[C@H](O)CC1(C#N)CCC1)C1CC[NH+](C)CC1 ZINC000886090206 708696343 /nfs/dbraw/zinc/69/63/43/708696343.db2.gz SFZHXTMAQWDUSX-QGZVFWFLSA-N 2 1 322.497 1.389 20 30 DDEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000886364014 708749801 /nfs/dbraw/zinc/74/98/01/708749801.db2.gz MDORCLCYCVBYNO-FUHWJXTLSA-N 2 1 313.445 1.751 20 30 DDEDMP C=CCN1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1=O ZINC000887134069 708967472 /nfs/dbraw/zinc/96/74/72/708967472.db2.gz BHRRSKOPFZVADV-HOCLYGCPSA-N 2 1 300.406 1.379 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1=O ZINC000887134069 708967474 /nfs/dbraw/zinc/96/74/74/708967474.db2.gz BHRRSKOPFZVADV-HOCLYGCPSA-N 2 1 300.406 1.379 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000888794964 709382532 /nfs/dbraw/zinc/38/25/32/709382532.db2.gz BSLNGVVXSPSDEQ-DLBZAZTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000888794964 709382534 /nfs/dbraw/zinc/38/25/34/709382534.db2.gz BSLNGVVXSPSDEQ-DLBZAZTESA-N 2 1 320.481 1.648 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000900371636 709560731 /nfs/dbraw/zinc/56/07/31/709560731.db2.gz GCDYLGWUDFDWOX-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000890367658 709839753 /nfs/dbraw/zinc/83/97/53/709839753.db2.gz QVNYYFLHTHBQDW-IXDOHACOSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000890367658 709839757 /nfs/dbraw/zinc/83/97/57/709839757.db2.gz QVNYYFLHTHBQDW-IXDOHACOSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000890367658 709839759 /nfs/dbraw/zinc/83/97/59/709839759.db2.gz QVNYYFLHTHBQDW-IXDOHACOSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000890367658 709839765 /nfs/dbraw/zinc/83/97/65/709839765.db2.gz QVNYYFLHTHBQDW-IXDOHACOSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000890377013 709846748 /nfs/dbraw/zinc/84/67/48/709846748.db2.gz FUXUAENGGPXVCB-SJORKVTESA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000890377013 709846752 /nfs/dbraw/zinc/84/67/52/709846752.db2.gz FUXUAENGGPXVCB-SJORKVTESA-N 2 1 318.465 1.354 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000892851755 710512727 /nfs/dbraw/zinc/51/27/27/710512727.db2.gz QBIARIOLXLAHLV-IRXDYDNUSA-N 2 1 320.481 1.905 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000908121292 712692862 /nfs/dbraw/zinc/69/28/62/712692862.db2.gz ZJTTWYOWMZYAEU-UHFFFAOYSA-N 2 1 301.434 1.837 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000914150507 713348986 /nfs/dbraw/zinc/34/89/86/713348986.db2.gz VUSGRDDPAXHVDO-RDJZCZTQSA-N 2 1 318.465 1.352 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923367322 714329744 /nfs/dbraw/zinc/32/97/44/714329744.db2.gz SMVMDZCQOHWIGS-WMZOPIPTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923367322 714329745 /nfs/dbraw/zinc/32/97/45/714329745.db2.gz SMVMDZCQOHWIGS-WMZOPIPTSA-N 2 1 315.417 1.373 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490729 714374997 /nfs/dbraw/zinc/37/49/97/714374997.db2.gz OTZKTUYGDDJSCT-MAZHCROVSA-N 2 1 301.390 1.689 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923490729 714374999 /nfs/dbraw/zinc/37/49/99/714374999.db2.gz OTZKTUYGDDJSCT-MAZHCROVSA-N 2 1 301.390 1.689 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029496 717080788 /nfs/dbraw/zinc/08/07/88/717080788.db2.gz WNHNTLJKHCUUPI-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029496 717080793 /nfs/dbraw/zinc/08/07/93/717080793.db2.gz WNHNTLJKHCUUPI-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029496 717080799 /nfs/dbraw/zinc/08/07/99/717080799.db2.gz WNHNTLJKHCUUPI-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224313 717133868 /nfs/dbraw/zinc/13/38/68/717133868.db2.gz UBJBNMGGKRQUKP-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224313 717133870 /nfs/dbraw/zinc/13/38/70/717133870.db2.gz UBJBNMGGKRQUKP-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000965424670 717646767 /nfs/dbraw/zinc/64/67/67/717646767.db2.gz OFZXUFKBROZGON-HGWOHTHGSA-N 2 1 315.461 1.654 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000965424673 717646805 /nfs/dbraw/zinc/64/68/05/717646805.db2.gz OFZXUFKBROZGON-IOAIVIQVSA-N 2 1 315.461 1.654 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943332639 718082207 /nfs/dbraw/zinc/08/22/07/718082207.db2.gz DKQXLPSXLQMJOY-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436421 719162685 /nfs/dbraw/zinc/16/26/85/719162685.db2.gz IQINFCDEXZOHAC-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C[C@@H]1C ZINC000947919914 719307569 /nfs/dbraw/zinc/30/75/69/719307569.db2.gz AQJODNALASNMAU-GJZGRUSLSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947939467 719313005 /nfs/dbraw/zinc/31/30/05/719313005.db2.gz IHYLCJSAIXLKCP-KGLIPLIRSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940878 719313594 /nfs/dbraw/zinc/31/35/94/719313594.db2.gz UPBZFDUXIIKEOK-LSDHHAIUSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947940878 719313595 /nfs/dbraw/zinc/31/35/95/719313595.db2.gz UPBZFDUXIIKEOK-LSDHHAIUSA-N 2 1 314.433 1.754 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948373633 719472880 /nfs/dbraw/zinc/47/28/80/719472880.db2.gz NEKJQHCZWCEHGD-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948376728 719473706 /nfs/dbraw/zinc/47/37/06/719473706.db2.gz AXGQBBZUXWLQHN-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948448860 719504382 /nfs/dbraw/zinc/50/43/82/719504382.db2.gz INCDSRLNPAXOPZ-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948448860 719504387 /nfs/dbraw/zinc/50/43/87/719504387.db2.gz INCDSRLNPAXOPZ-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000948448860 719504389 /nfs/dbraw/zinc/50/43/89/719504389.db2.gz INCDSRLNPAXOPZ-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC2CC2)CC1 ZINC000948448860 719504394 /nfs/dbraw/zinc/50/43/94/719504394.db2.gz INCDSRLNPAXOPZ-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968493721 719622718 /nfs/dbraw/zinc/62/27/18/719622718.db2.gz WNCREZMHKDGTAI-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655741 719719188 /nfs/dbraw/zinc/71/91/88/719719188.db2.gz RVZYYKKVEHHUFN-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655741 719719191 /nfs/dbraw/zinc/71/91/91/719719191.db2.gz RVZYYKKVEHHUFN-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)CC[C@@H]2C)CC1 ZINC000968682368 719733749 /nfs/dbraw/zinc/73/37/49/719733749.db2.gz QEXLJOPXTQOLRB-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000968752558 719771155 /nfs/dbraw/zinc/77/11/55/719771155.db2.gz OKQTUNSSLBYFKQ-CJNGLKHVSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000968752558 719771161 /nfs/dbraw/zinc/77/11/61/719771161.db2.gz OKQTUNSSLBYFKQ-CJNGLKHVSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000968752558 719771165 /nfs/dbraw/zinc/77/11/65/719771165.db2.gz OKQTUNSSLBYFKQ-CJNGLKHVSA-N 2 1 317.437 1.557 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955483 719897052 /nfs/dbraw/zinc/89/70/52/719897052.db2.gz XDCSLLHAPRLXDR-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC)CC1 ZINC000969156319 719981376 /nfs/dbraw/zinc/98/13/76/719981376.db2.gz PFCQAXYYSHQNBO-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000970141769 720641993 /nfs/dbraw/zinc/64/19/93/720641993.db2.gz HNKQWHRJWLSFOR-CYBMUJFWSA-N 2 1 310.829 1.950 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001023762482 735450946 /nfs/dbraw/zinc/45/09/46/735450946.db2.gz XVXYMOMOYNNFTE-MRXNPFEDSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498680 736365343 /nfs/dbraw/zinc/36/53/43/736365343.db2.gz LOAHRFARQYDZDE-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498680 736365344 /nfs/dbraw/zinc/36/53/44/736365344.db2.gz LOAHRFARQYDZDE-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498680 736365346 /nfs/dbraw/zinc/36/53/46/736365346.db2.gz LOAHRFARQYDZDE-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498680 736365348 /nfs/dbraw/zinc/36/53/48/736365348.db2.gz LOAHRFARQYDZDE-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098532709 732823106 /nfs/dbraw/zinc/82/31/06/732823106.db2.gz AZMJCKJIOOLVHN-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098532709 732823113 /nfs/dbraw/zinc/82/31/13/732823113.db2.gz AZMJCKJIOOLVHN-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001098532709 732823116 /nfs/dbraw/zinc/82/31/16/732823116.db2.gz AZMJCKJIOOLVHN-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001021047502 732913783 /nfs/dbraw/zinc/91/37/83/732913783.db2.gz FRQWJUPETKHGSH-ULQDDVLXSA-N 2 1 312.417 1.247 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666792 733422208 /nfs/dbraw/zinc/42/22/08/733422208.db2.gz XFFSZYZLMJEDJK-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736650 733496244 /nfs/dbraw/zinc/49/62/44/733496244.db2.gz NUINTBZSWHZBJB-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736650 733496247 /nfs/dbraw/zinc/49/62/47/733496247.db2.gz NUINTBZSWHZBJB-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737138 733496960 /nfs/dbraw/zinc/49/69/60/733496960.db2.gz RSVIOQIMKQJRIJ-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889968 738777556 /nfs/dbraw/zinc/77/75/56/738777556.db2.gz LQBTUFWJTJOONN-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001022786504 734782740 /nfs/dbraw/zinc/78/27/40/734782740.db2.gz VLOBUSFPAXNOFN-BETUJISGSA-N 2 1 310.829 1.996 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253683 739236708 /nfs/dbraw/zinc/23/67/08/739236708.db2.gz FDUORIUKVFKHOP-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516398 735894196 /nfs/dbraw/zinc/89/41/96/735894196.db2.gz JYNYCJQHPBTUEI-HUUCEWRRSA-N 2 1 302.422 1.602 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024613580 735982895 /nfs/dbraw/zinc/98/28/95/735982895.db2.gz AEVWKFWEQTXVSZ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024613580 735982899 /nfs/dbraw/zinc/98/28/99/735982899.db2.gz AEVWKFWEQTXVSZ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024613580 735982902 /nfs/dbraw/zinc/98/29/02/735982902.db2.gz AEVWKFWEQTXVSZ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317957 736078827 /nfs/dbraw/zinc/07/88/27/736078827.db2.gz PDRYLVOITGWRKS-PVAVHDDUSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001026376169 737444348 /nfs/dbraw/zinc/44/43/48/737444348.db2.gz GSBMGUDLOIDUEP-YESZJQIVSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997949833 751415245 /nfs/dbraw/zinc/41/52/45/751415245.db2.gz PGYURLYRCTZBMR-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997949833 751415249 /nfs/dbraw/zinc/41/52/49/751415249.db2.gz PGYURLYRCTZBMR-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997949833 751415252 /nfs/dbraw/zinc/41/52/52/751415252.db2.gz PGYURLYRCTZBMR-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028593517 739751896 /nfs/dbraw/zinc/75/18/96/739751896.db2.gz ZXKXQVNGCGEGJC-RDJZCZTQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028593517 739751899 /nfs/dbraw/zinc/75/18/99/739751899.db2.gz ZXKXQVNGCGEGJC-RDJZCZTQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028593517 739751900 /nfs/dbraw/zinc/75/19/00/739751900.db2.gz ZXKXQVNGCGEGJC-RDJZCZTQSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028595302 739764178 /nfs/dbraw/zinc/76/41/78/739764178.db2.gz XGXQHDMUROYTKU-CABCVRRESA-N 2 1 300.406 1.222 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028595302 739764183 /nfs/dbraw/zinc/76/41/83/739764183.db2.gz XGXQHDMUROYTKU-CABCVRRESA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001028601801 739778484 /nfs/dbraw/zinc/77/84/84/739778484.db2.gz VKMOQMGIIMHDJD-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028601801 739778487 /nfs/dbraw/zinc/77/84/87/739778487.db2.gz VKMOQMGIIMHDJD-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CC2)C1 ZINC001028601801 739778489 /nfs/dbraw/zinc/77/84/89/739778489.db2.gz VKMOQMGIIMHDJD-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC2CC2)C1 ZINC001028601801 739778491 /nfs/dbraw/zinc/77/84/91/739778491.db2.gz VKMOQMGIIMHDJD-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035434415 751512072 /nfs/dbraw/zinc/51/20/72/751512072.db2.gz YFJVCXICOIUWTB-INIZCTEOSA-N 2 1 321.465 1.398 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896101 740151251 /nfs/dbraw/zinc/15/12/51/740151251.db2.gz IWNXZVFFYXGCMM-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896101 740151253 /nfs/dbraw/zinc/15/12/53/740151253.db2.gz IWNXZVFFYXGCMM-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037925994 751566819 /nfs/dbraw/zinc/56/68/19/751566819.db2.gz LIBMZDGTQJUCIA-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998192594 751580701 /nfs/dbraw/zinc/58/07/01/751580701.db2.gz WNIOVFRDIXAWQK-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998192594 751580707 /nfs/dbraw/zinc/58/07/07/751580707.db2.gz WNIOVFRDIXAWQK-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998192594 751580712 /nfs/dbraw/zinc/58/07/12/751580712.db2.gz WNIOVFRDIXAWQK-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998192594 751580717 /nfs/dbraw/zinc/58/07/17/751580717.db2.gz WNIOVFRDIXAWQK-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001087966137 740893478 /nfs/dbraw/zinc/89/34/78/740893478.db2.gz MNYSPKNLFXPKSJ-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999454 740938209 /nfs/dbraw/zinc/93/82/09/740938209.db2.gz MJMJSYQJHRZTQZ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999454 740938207 /nfs/dbraw/zinc/93/82/07/740938207.db2.gz MJMJSYQJHRZTQZ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999454 740938208 /nfs/dbraw/zinc/93/82/08/740938208.db2.gz MJMJSYQJHRZTQZ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311817 741372007 /nfs/dbraw/zinc/37/20/07/741372007.db2.gz HOOREIMSKAFWRK-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001088631552 742028512 /nfs/dbraw/zinc/02/85/12/742028512.db2.gz RSCRFILYIGVUHA-IKGGRYGDSA-N 2 1 303.450 1.629 20 30 DDEDMP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001105486908 742080774 /nfs/dbraw/zinc/08/07/74/742080774.db2.gz FIMGHHIQFOXIJN-UHFFFAOYSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810063 742415106 /nfs/dbraw/zinc/41/51/06/742415106.db2.gz CEGGSZAHWFZXIX-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810063 742415108 /nfs/dbraw/zinc/41/51/08/742415108.db2.gz CEGGSZAHWFZXIX-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810063 742415111 /nfs/dbraw/zinc/41/51/11/742415111.db2.gz CEGGSZAHWFZXIX-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC001181787219 743342105 /nfs/dbraw/zinc/34/21/05/743342105.db2.gz SENOKSNISPXSHX-ATNYBXOESA-N 2 1 314.433 1.611 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2cccn2C)CC1 ZINC001203270546 743965379 /nfs/dbraw/zinc/96/53/79/743965379.db2.gz KNCMBZUQZQQDCR-UHFFFAOYSA-N 2 1 302.466 1.817 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)[C@H]1C ZINC001088849327 744208707 /nfs/dbraw/zinc/20/87/07/744208707.db2.gz NBIHSLHNBVXDAU-MCIONIFRSA-N 2 1 302.422 1.985 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001188146194 744665755 /nfs/dbraw/zinc/66/57/55/744665755.db2.gz YJDZIVCNUQMRBN-QGZVFWFLSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001121247025 744719302 /nfs/dbraw/zinc/71/93/02/744719302.db2.gz VTDSKECERZQRIA-UHFFFAOYSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035858172 751954584 /nfs/dbraw/zinc/95/45/84/751954584.db2.gz HVIOBODEFKWCES-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC000992862238 745249632 /nfs/dbraw/zinc/24/96/32/745249632.db2.gz RZFIFZBYWUVEMD-BRWVUGGUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046566813 745353672 /nfs/dbraw/zinc/35/36/72/745353672.db2.gz CWJZBZIHRVBWJH-WBVHZDCISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046566813 745353676 /nfs/dbraw/zinc/35/36/76/745353676.db2.gz CWJZBZIHRVBWJH-WBVHZDCISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566813 745353680 /nfs/dbraw/zinc/35/36/80/745353680.db2.gz CWJZBZIHRVBWJH-WBVHZDCISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566813 745353683 /nfs/dbraw/zinc/35/36/83/745353683.db2.gz CWJZBZIHRVBWJH-WBVHZDCISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191950925 745655115 /nfs/dbraw/zinc/65/51/15/745655115.db2.gz WDWDOZLOKMJKPB-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191950925 745655119 /nfs/dbraw/zinc/65/51/19/745655119.db2.gz WDWDOZLOKMJKPB-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950925 745655120 /nfs/dbraw/zinc/65/51/20/745655120.db2.gz WDWDOZLOKMJKPB-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950925 745655123 /nfs/dbraw/zinc/65/51/23/745655123.db2.gz WDWDOZLOKMJKPB-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671568 745857705 /nfs/dbraw/zinc/85/77/05/745857705.db2.gz NJTHAYZSTRLXGV-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671568 745857711 /nfs/dbraw/zinc/85/77/11/745857711.db2.gz NJTHAYZSTRLXGV-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671568 745857718 /nfs/dbraw/zinc/85/77/18/745857718.db2.gz NJTHAYZSTRLXGV-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739763 745926034 /nfs/dbraw/zinc/92/60/34/745926034.db2.gz VKTGGOHCSURTAG-SFHVURJKSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994167092 746470678 /nfs/dbraw/zinc/47/06/78/746470678.db2.gz LOTOEMOWWGMPJC-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404224 746592274 /nfs/dbraw/zinc/59/22/74/746592274.db2.gz NVPPANXOXLXVRN-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404224 746592276 /nfs/dbraw/zinc/59/22/76/746592276.db2.gz NVPPANXOXLXVRN-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001195404224 746592277 /nfs/dbraw/zinc/59/22/77/746592277.db2.gz NVPPANXOXLXVRN-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404224 746592280 /nfs/dbraw/zinc/59/22/80/746592280.db2.gz NVPPANXOXLXVRN-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)[C@@H]2C)CC1 ZINC000994494777 746691108 /nfs/dbraw/zinc/69/11/08/746691108.db2.gz FSKYMEGQVUAQEJ-CRAIPNDOSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)[C@H]2C)CC1 ZINC000994494784 746691416 /nfs/dbraw/zinc/69/14/16/746691416.db2.gz FSKYMEGQVUAQEJ-MAUKXSAKSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196267935 746812457 /nfs/dbraw/zinc/81/24/57/746812457.db2.gz LLKJGUPUJSMLOG-OWCLPIDISA-N 2 1 311.470 1.234 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002994384 746889970 /nfs/dbraw/zinc/88/99/70/746889970.db2.gz GVOJMDITYAEMDV-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC001003056846 746946058 /nfs/dbraw/zinc/94/60/58/746946058.db2.gz UOZUYNQFFOEERA-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC=C(C)C)CC1 ZINC001003056846 746946061 /nfs/dbraw/zinc/94/60/61/746946061.db2.gz UOZUYNQFFOEERA-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(CC)CCO2)CC(C)(C)C1 ZINC001089560988 747223441 /nfs/dbraw/zinc/22/34/41/747223441.db2.gz LTHFKHQVBHWGRJ-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC(C)(C)C1 ZINC001089560988 747223444 /nfs/dbraw/zinc/22/34/44/747223444.db2.gz LTHFKHQVBHWGRJ-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC(C)(C)C1 ZINC001089560988 747223445 /nfs/dbraw/zinc/22/34/45/747223445.db2.gz LTHFKHQVBHWGRJ-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089560988 747223449 /nfs/dbraw/zinc/22/34/49/747223449.db2.gz LTHFKHQVBHWGRJ-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089560988 747223454 /nfs/dbraw/zinc/22/34/54/747223454.db2.gz LTHFKHQVBHWGRJ-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007618906 752241597 /nfs/dbraw/zinc/24/15/97/752241597.db2.gz LTCGDEKGFRORHE-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200546250 748272750 /nfs/dbraw/zinc/27/27/50/748272750.db2.gz ARKQREQHXXTZFP-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721188 748328970 /nfs/dbraw/zinc/32/89/70/748328970.db2.gz IVBZCNQUVQIHTC-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805705 748350982 /nfs/dbraw/zinc/35/09/82/748350982.db2.gz MCRCMBGSXPWSOP-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200808030 748352814 /nfs/dbraw/zinc/35/28/14/748352814.db2.gz XZLROCGXRDACTL-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004472643 748463123 /nfs/dbraw/zinc/46/31/23/748463123.db2.gz GXCDBVKIMRACEQ-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472643 748463124 /nfs/dbraw/zinc/46/31/24/748463124.db2.gz GXCDBVKIMRACEQ-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472643 748463126 /nfs/dbraw/zinc/46/31/26/748463126.db2.gz GXCDBVKIMRACEQ-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004474531 748463950 /nfs/dbraw/zinc/46/39/50/748463950.db2.gz PJCVZUBKGAZQGV-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181632 748824708 /nfs/dbraw/zinc/82/47/08/748824708.db2.gz IJJWSHSKRWUXSQ-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033183607 748831461 /nfs/dbraw/zinc/83/14/61/748831461.db2.gz ZXAWBJNNXCCOEN-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295347 749143378 /nfs/dbraw/zinc/14/33/78/749143378.db2.gz KTJZIMZPIKAQBW-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295347 749143381 /nfs/dbraw/zinc/14/33/81/749143381.db2.gz KTJZIMZPIKAQBW-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418104 749316829 /nfs/dbraw/zinc/31/68/29/749316829.db2.gz ZURCFUGPIADTLN-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418104 749316832 /nfs/dbraw/zinc/31/68/32/749316832.db2.gz ZURCFUGPIADTLN-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996166119 749414004 /nfs/dbraw/zinc/41/40/04/749414004.db2.gz DEQWNFZOVFKCAD-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001033684613 749714674 /nfs/dbraw/zinc/71/46/74/749714674.db2.gz OZVNFVMHIHINAI-FUHWJXTLSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039375024 761976442 /nfs/dbraw/zinc/97/64/42/761976442.db2.gz OKMIAFDPRJCABQ-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039386552 761986243 /nfs/dbraw/zinc/98/62/43/761986243.db2.gz SJTNGDHYAAMHFO-IKGGRYGDSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000996669613 749887329 /nfs/dbraw/zinc/88/73/29/749887329.db2.gz QGNIONLOILNZCW-QGZVFWFLSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033874573 750007930 /nfs/dbraw/zinc/00/79/30/750007930.db2.gz BFNJQVAHYZQNLX-LSDHHAIUSA-N 2 1 302.422 1.554 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932913 750155338 /nfs/dbraw/zinc/15/53/38/750155338.db2.gz UMJDLNPFRYODJH-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033935871 750167302 /nfs/dbraw/zinc/16/73/02/750167302.db2.gz JYXLNBLWGHDETC-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033935871 750167305 /nfs/dbraw/zinc/16/73/05/750167305.db2.gz JYXLNBLWGHDETC-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033935871 750167307 /nfs/dbraw/zinc/16/73/07/750167307.db2.gz JYXLNBLWGHDETC-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034475958 750464549 /nfs/dbraw/zinc/46/45/49/750464549.db2.gz ACVFYBGRDJFDOA-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001034662390 750643762 /nfs/dbraw/zinc/64/37/62/750643762.db2.gz HDJMAOVPIFABFZ-RBSFLKMASA-N 2 1 300.406 1.411 20 30 DDEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1sccc1CN(C)C ZINC001032431049 750798037 /nfs/dbraw/zinc/79/80/37/750798037.db2.gz OYNRBDWTMRUTFH-GJZGRUSLSA-N 2 1 317.458 1.732 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107953036 750851333 /nfs/dbraw/zinc/85/13/33/750851333.db2.gz OYBIYYDNJVMBKS-BFYDXBDKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107953036 750851340 /nfs/dbraw/zinc/85/13/40/750851340.db2.gz OYBIYYDNJVMBKS-BFYDXBDKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107953036 750851347 /nfs/dbraw/zinc/85/13/47/750851347.db2.gz OYBIYYDNJVMBKS-BFYDXBDKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)C1 ZINC001032453675 750872499 /nfs/dbraw/zinc/87/24/99/750872499.db2.gz JPQSIFRZURPFNE-CNFALQKSSA-N 2 1 315.461 1.415 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(C)C1 ZINC001032453675 750872509 /nfs/dbraw/zinc/87/25/09/750872509.db2.gz JPQSIFRZURPFNE-CNFALQKSSA-N 2 1 315.461 1.415 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(C)C1 ZINC001032453675 750872515 /nfs/dbraw/zinc/87/25/15/750872515.db2.gz JPQSIFRZURPFNE-CNFALQKSSA-N 2 1 315.461 1.415 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(C)C1 ZINC001032453675 750872521 /nfs/dbraw/zinc/87/25/21/750872521.db2.gz JPQSIFRZURPFNE-CNFALQKSSA-N 2 1 315.461 1.415 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001108160202 750895058 /nfs/dbraw/zinc/89/50/58/750895058.db2.gz FOFONDUHEKTTHJ-XYJFISCASA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108160202 750895068 /nfs/dbraw/zinc/89/50/68/750895068.db2.gz FOFONDUHEKTTHJ-XYJFISCASA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160202 750895076 /nfs/dbraw/zinc/89/50/76/750895076.db2.gz FOFONDUHEKTTHJ-XYJFISCASA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160202 750895083 /nfs/dbraw/zinc/89/50/83/750895083.db2.gz FOFONDUHEKTTHJ-XYJFISCASA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCF)CC1 ZINC000997624162 751164281 /nfs/dbraw/zinc/16/42/81/751164281.db2.gz MPGPREWOOIVDDK-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCF)CC1 ZINC000997624162 751164285 /nfs/dbraw/zinc/16/42/85/751164285.db2.gz MPGPREWOOIVDDK-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC=C)CC1 ZINC000997626732 751165459 /nfs/dbraw/zinc/16/54/59/751165459.db2.gz USPDFXBWNRYJCV-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC=C)CC1 ZINC000997626732 751165462 /nfs/dbraw/zinc/16/54/62/751165462.db2.gz USPDFXBWNRYJCV-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223383 751300134 /nfs/dbraw/zinc/30/01/34/751300134.db2.gz QVMKWHKQUXGFLZ-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035225792 751302188 /nfs/dbraw/zinc/30/21/88/751302188.db2.gz AAVYABSSWLTMCS-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035225792 751302191 /nfs/dbraw/zinc/30/21/91/751302191.db2.gz AAVYABSSWLTMCS-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035225792 751302196 /nfs/dbraw/zinc/30/21/96/751302196.db2.gz AAVYABSSWLTMCS-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000260131 753614137 /nfs/dbraw/zinc/61/41/37/753614137.db2.gz KICFQKGPFRVVCP-GDBMZVCRSA-N 2 1 305.466 1.731 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001523605 754376796 /nfs/dbraw/zinc/37/67/96/754376796.db2.gz VKQIYSNDKLHIRP-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795794 754513281 /nfs/dbraw/zinc/51/32/81/754513281.db2.gz YFJFGJQBWYVIRE-UHFFFAOYSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001079843816 755606097 /nfs/dbraw/zinc/60/60/97/755606097.db2.gz KSGWOGZCPUUBDT-DJIMGWMZSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001079843816 755606098 /nfs/dbraw/zinc/60/60/98/755606098.db2.gz KSGWOGZCPUUBDT-DJIMGWMZSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001079843816 755606102 /nfs/dbraw/zinc/60/61/02/755606102.db2.gz KSGWOGZCPUUBDT-DJIMGWMZSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603210 756404965 /nfs/dbraw/zinc/40/49/65/756404965.db2.gz PFPVKNMJHWXRKC-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603210 756404967 /nfs/dbraw/zinc/40/49/67/756404967.db2.gz PFPVKNMJHWXRKC-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603210 756404969 /nfs/dbraw/zinc/40/49/69/756404969.db2.gz PFPVKNMJHWXRKC-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603210 756404971 /nfs/dbraw/zinc/40/49/71/756404971.db2.gz PFPVKNMJHWXRKC-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144036 757157230 /nfs/dbraw/zinc/15/72/30/757157230.db2.gz MPSHHCMWHWHVKW-JKSUJKDBSA-N 2 1 318.421 1.069 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001083144036 757157232 /nfs/dbraw/zinc/15/72/32/757157232.db2.gz MPSHHCMWHWHVKW-JKSUJKDBSA-N 2 1 318.421 1.069 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052717267 757681185 /nfs/dbraw/zinc/68/11/85/757681185.db2.gz UZWAOHVZPGZBMG-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717267 757681193 /nfs/dbraw/zinc/68/11/93/757681193.db2.gz UZWAOHVZPGZBMG-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717267 757681201 /nfs/dbraw/zinc/68/12/01/757681201.db2.gz UZWAOHVZPGZBMG-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852802 757983093 /nfs/dbraw/zinc/98/30/93/757983093.db2.gz OTCDYLWQBRPJDH-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852802 757983099 /nfs/dbraw/zinc/98/30/99/757983099.db2.gz OTCDYLWQBRPJDH-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852802 757983107 /nfs/dbraw/zinc/98/31/07/757983107.db2.gz OTCDYLWQBRPJDH-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947815 757995931 /nfs/dbraw/zinc/99/59/31/757995931.db2.gz UTYGRACEIIJCAB-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947815 757995936 /nfs/dbraw/zinc/99/59/36/757995936.db2.gz UTYGRACEIIJCAB-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947815 757995940 /nfs/dbraw/zinc/99/59/40/757995940.db2.gz UTYGRACEIIJCAB-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947815 757995944 /nfs/dbraw/zinc/99/59/44/757995944.db2.gz UTYGRACEIIJCAB-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017555142 758022902 /nfs/dbraw/zinc/02/29/02/758022902.db2.gz JJDAIQWHGVJRMJ-CALCHBBNSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001017555142 758022908 /nfs/dbraw/zinc/02/29/08/758022908.db2.gz JJDAIQWHGVJRMJ-CALCHBBNSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC)[C@H]2C1 ZINC001084961144 758104530 /nfs/dbraw/zinc/10/45/30/758104530.db2.gz NOLAVJHWRMJVEI-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001084961144 758104535 /nfs/dbraw/zinc/10/45/35/758104535.db2.gz NOLAVJHWRMJVEI-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC)[C@H]2C1 ZINC001084961144 758104541 /nfs/dbraw/zinc/10/45/41/758104541.db2.gz NOLAVJHWRMJVEI-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC)[C@H]2C1 ZINC001084961144 758104548 /nfs/dbraw/zinc/10/45/48/758104548.db2.gz NOLAVJHWRMJVEI-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001053582213 758594870 /nfs/dbraw/zinc/59/48/70/758594870.db2.gz BITIADXBEFCTOL-GJZGRUSLSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018175953 758602934 /nfs/dbraw/zinc/60/29/34/758602934.db2.gz CFQPSIXYOVYUHI-XLAORIBOSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806893 758834657 /nfs/dbraw/zinc/83/46/57/758834657.db2.gz UOJXSKWYZAFQJQ-BZUAXINKSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001053806893 758834663 /nfs/dbraw/zinc/83/46/63/758834663.db2.gz UOJXSKWYZAFQJQ-BZUAXINKSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133640 759207959 /nfs/dbraw/zinc/20/79/59/759207959.db2.gz IFXFHYOOUCMTFK-IEBWSBKVSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001054133358 759208040 /nfs/dbraw/zinc/20/80/40/759208040.db2.gz BABMBMHCGQESMC-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133358 759208043 /nfs/dbraw/zinc/20/80/43/759208043.db2.gz BABMBMHCGQESMC-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001054133358 759208048 /nfs/dbraw/zinc/20/80/48/759208048.db2.gz BABMBMHCGQESMC-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054240716 759330339 /nfs/dbraw/zinc/33/03/39/759330339.db2.gz ZTNBOJUYSUBVEB-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240716 759330348 /nfs/dbraw/zinc/33/03/48/759330348.db2.gz ZTNBOJUYSUBVEB-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240716 759330357 /nfs/dbraw/zinc/33/03/57/759330357.db2.gz ZTNBOJUYSUBVEB-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001098385613 759636892 /nfs/dbraw/zinc/63/68/92/759636892.db2.gz BDBWKIXCEWONBJ-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001098385613 759636899 /nfs/dbraw/zinc/63/68/99/759636899.db2.gz BDBWKIXCEWONBJ-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001098385613 759636904 /nfs/dbraw/zinc/63/69/04/759636904.db2.gz BDBWKIXCEWONBJ-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639100 759911542 /nfs/dbraw/zinc/91/15/42/759911542.db2.gz HWNHYSRCFSMTEW-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639100 759911548 /nfs/dbraw/zinc/91/15/48/759911548.db2.gz HWNHYSRCFSMTEW-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639100 759911553 /nfs/dbraw/zinc/91/15/53/759911553.db2.gz HWNHYSRCFSMTEW-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639100 759911558 /nfs/dbraw/zinc/91/15/58/759911558.db2.gz HWNHYSRCFSMTEW-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639877 759913200 /nfs/dbraw/zinc/91/32/00/759913200.db2.gz YGPAWMRBBRIAHY-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639877 759913203 /nfs/dbraw/zinc/91/32/03/759913203.db2.gz YGPAWMRBBRIAHY-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816734 760298240 /nfs/dbraw/zinc/29/82/40/760298240.db2.gz FJNPXFCUFMSNAC-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816734 760298244 /nfs/dbraw/zinc/29/82/44/760298244.db2.gz FJNPXFCUFMSNAC-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038346078 761035054 /nfs/dbraw/zinc/03/50/54/761035054.db2.gz OHDJDAPBPPGRSP-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346078 761035061 /nfs/dbraw/zinc/03/50/61/761035061.db2.gz OHDJDAPBPPGRSP-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346078 761035071 /nfs/dbraw/zinc/03/50/71/761035071.db2.gz OHDJDAPBPPGRSP-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000198144 761569664 /nfs/dbraw/zinc/56/96/64/761569664.db2.gz KQBKWTHSIBXFTE-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704977 762860030 /nfs/dbraw/zinc/86/00/30/762860030.db2.gz WOMFDNFMIMOILT-UXLLHSPISA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041428993 763024989 /nfs/dbraw/zinc/02/49/89/763024989.db2.gz RTTYBAWZJXQEFI-LJQANCHMSA-N 2 1 322.412 1.814 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041445613 763035960 /nfs/dbraw/zinc/03/59/60/763035960.db2.gz LKUHAZXEGTUGJX-LJQANCHMSA-N 2 1 322.412 1.896 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726320 763259333 /nfs/dbraw/zinc/25/93/33/763259333.db2.gz VTJPUPPWHYJYSC-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169982121 763419054 /nfs/dbraw/zinc/41/90/54/763419054.db2.gz JLQABXVGIPVPEP-KBPBESRZSA-N 2 1 317.861 1.334 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169982121 763419058 /nfs/dbraw/zinc/41/90/58/763419058.db2.gz JLQABXVGIPVPEP-KBPBESRZSA-N 2 1 317.861 1.334 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156636 763720642 /nfs/dbraw/zinc/72/06/42/763720642.db2.gz JRYYJMMMKQOYGT-QAPCUYQASA-N 2 1 322.412 1.894 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042289020 763864421 /nfs/dbraw/zinc/86/44/21/763864421.db2.gz XOLOKQCJKCBWTH-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050663665 763888157 /nfs/dbraw/zinc/88/81/57/763888157.db2.gz YFGOAGBFLSGPSP-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001112865864 764900124 /nfs/dbraw/zinc/90/01/24/764900124.db2.gz DMMFMXICQJOSLT-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001112865864 764900132 /nfs/dbraw/zinc/90/01/32/764900132.db2.gz DMMFMXICQJOSLT-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447830 765838796 /nfs/dbraw/zinc/83/87/96/765838796.db2.gz NHFCSJBWSVIDBN-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447830 765838801 /nfs/dbraw/zinc/83/88/01/765838801.db2.gz NHFCSJBWSVIDBN-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045460616 766322693 /nfs/dbraw/zinc/32/26/93/766322693.db2.gz FTUQSNIDKWCSCF-CQSZACIVSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001045621181 766453738 /nfs/dbraw/zinc/45/37/38/766453738.db2.gz DPXFALBIAMMDID-UHFFFAOYSA-N 2 1 311.857 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045963425 766743485 /nfs/dbraw/zinc/74/34/85/766743485.db2.gz YPQGBAXNPYDHJG-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980237 766757474 /nfs/dbraw/zinc/75/74/74/766757474.db2.gz VCHQEYYOWGXSFC-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983456 766761120 /nfs/dbraw/zinc/76/11/20/766761120.db2.gz NSVNKOZQTDYMIJ-LJQANCHMSA-N 2 1 317.477 1.810 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046326764 767426982 /nfs/dbraw/zinc/42/69/82/767426982.db2.gz VCTOOTYUPPYECV-KRWDZBQOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498314 768520913 /nfs/dbraw/zinc/52/09/13/768520913.db2.gz PJCBGAMMFDVQEZ-IKGGRYGDSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498314 768520921 /nfs/dbraw/zinc/52/09/21/768520921.db2.gz PJCBGAMMFDVQEZ-IKGGRYGDSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498314 768520926 /nfs/dbraw/zinc/52/09/26/768520926.db2.gz PJCBGAMMFDVQEZ-IKGGRYGDSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819101 769940271 /nfs/dbraw/zinc/94/02/71/769940271.db2.gz QLEHQDDERZBHNI-WNRNVDISSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048819101 769940276 /nfs/dbraw/zinc/94/02/76/769940276.db2.gz QLEHQDDERZBHNI-WNRNVDISSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048819101 769940284 /nfs/dbraw/zinc/94/02/84/769940284.db2.gz QLEHQDDERZBHNI-WNRNVDISSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2C1 ZINC001048870073 770022290 /nfs/dbraw/zinc/02/22/90/770022290.db2.gz NYVIWBUODRSFLR-YVSFHVDLSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2C1 ZINC001048870073 770022304 /nfs/dbraw/zinc/02/23/04/770022304.db2.gz NYVIWBUODRSFLR-YVSFHVDLSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](F)CC)C[C@@H]2C1 ZINC001048870073 770022317 /nfs/dbraw/zinc/02/23/17/770022317.db2.gz NYVIWBUODRSFLR-YVSFHVDLSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](F)CC)C[C@@H]2C1 ZINC001048870073 770022328 /nfs/dbraw/zinc/02/23/28/770022328.db2.gz NYVIWBUODRSFLR-YVSFHVDLSA-N 2 1 321.440 1.222 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048938569 770140645 /nfs/dbraw/zinc/14/06/45/770140645.db2.gz JGHSDPHQQVFNNU-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001048938569 770140653 /nfs/dbraw/zinc/14/06/53/770140653.db2.gz JGHSDPHQQVFNNU-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133831564 770315216 /nfs/dbraw/zinc/31/52/16/770315216.db2.gz QPCRNYVWCLNHJL-AWEZNQCLSA-N 2 1 300.406 1.248 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170759 770494506 /nfs/dbraw/zinc/49/45/06/770494506.db2.gz DLAVXPUXOAZWCA-BDXSIMOUSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478781 770907452 /nfs/dbraw/zinc/90/74/52/770907452.db2.gz RVJLDBOXWCDVKD-OKZBNKHCSA-N 2 1 315.461 1.417 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049484357 770916517 /nfs/dbraw/zinc/91/65/17/770916517.db2.gz GEWMSLNAPBNALZ-NCOADZHNSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049484357 770916522 /nfs/dbraw/zinc/91/65/22/770916522.db2.gz GEWMSLNAPBNALZ-NCOADZHNSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049484357 770916529 /nfs/dbraw/zinc/91/65/29/770916529.db2.gz GEWMSLNAPBNALZ-NCOADZHNSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049653787 771055852 /nfs/dbraw/zinc/05/58/52/771055852.db2.gz DJHBFFOQJIOZKF-ULQDDVLXSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049653787 771055854 /nfs/dbraw/zinc/05/58/54/771055854.db2.gz DJHBFFOQJIOZKF-ULQDDVLXSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049653787 771055859 /nfs/dbraw/zinc/05/58/59/771055859.db2.gz DJHBFFOQJIOZKF-ULQDDVLXSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049716760 771109948 /nfs/dbraw/zinc/10/99/48/771109948.db2.gz BKNCNDCYWBFBEN-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049716760 771109953 /nfs/dbraw/zinc/10/99/53/771109953.db2.gz BKNCNDCYWBFBEN-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049716760 771109956 /nfs/dbraw/zinc/10/99/56/771109956.db2.gz BKNCNDCYWBFBEN-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001049724901 771115465 /nfs/dbraw/zinc/11/54/65/771115465.db2.gz UQYZHMNSRPITEM-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724901 771115466 /nfs/dbraw/zinc/11/54/66/771115466.db2.gz UQYZHMNSRPITEM-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724901 771115468 /nfs/dbraw/zinc/11/54/68/771115468.db2.gz UQYZHMNSRPITEM-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC=C)CC1 ZINC001049918821 771259561 /nfs/dbraw/zinc/25/95/61/771259561.db2.gz MUFJWXJJNSTXQB-ZWKOTPCHSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135810240 771733020 /nfs/dbraw/zinc/73/30/20/771733020.db2.gz AZVWNBZBOFEDTC-KBPBESRZSA-N 2 1 311.389 1.387 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001146719219 772925741 /nfs/dbraw/zinc/92/57/41/772925741.db2.gz LLIOTVHBFDDKPO-UHFFFAOYSA-N 2 1 318.421 1.137 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677226 773345815 /nfs/dbraw/zinc/34/58/15/773345815.db2.gz NCANAHJJNNMTOV-AOIWGVFYSA-N 2 1 315.461 1.132 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073746460 773369895 /nfs/dbraw/zinc/36/98/95/773369895.db2.gz YRJOVUNETJTTOD-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746460 773369901 /nfs/dbraw/zinc/36/99/01/773369901.db2.gz YRJOVUNETJTTOD-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746460 773369906 /nfs/dbraw/zinc/36/99/06/773369906.db2.gz YRJOVUNETJTTOD-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477349 773482671 /nfs/dbraw/zinc/48/26/71/773482671.db2.gz RULMQFSWYASUNS-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477348 773482774 /nfs/dbraw/zinc/48/27/74/773482774.db2.gz RULMQFSWYASUNS-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445033 773487319 /nfs/dbraw/zinc/48/73/19/773487319.db2.gz JRJULDSZLGTFHT-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445033 773487322 /nfs/dbraw/zinc/48/73/22/773487322.db2.gz JRJULDSZLGTFHT-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754568 773593113 /nfs/dbraw/zinc/59/31/13/773593113.db2.gz CEXJAAQVPKFMLE-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071299 773935924 /nfs/dbraw/zinc/93/59/24/773935924.db2.gz PPAIHWVNGJWQMK-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820504 774725605 /nfs/dbraw/zinc/72/56/05/774725605.db2.gz KDYLPKBLXRQFBU-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820504 774725610 /nfs/dbraw/zinc/72/56/10/774725610.db2.gz KDYLPKBLXRQFBU-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820504 774725613 /nfs/dbraw/zinc/72/56/13/774725613.db2.gz KDYLPKBLXRQFBU-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820120 774747178 /nfs/dbraw/zinc/74/71/78/774747178.db2.gz CTOZRZCBEYAXSX-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820120 774747180 /nfs/dbraw/zinc/74/71/80/774747180.db2.gz CTOZRZCBEYAXSX-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001099257587 774920844 /nfs/dbraw/zinc/92/08/44/774920844.db2.gz ICQGUDCMFVGMCC-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099309837 774941720 /nfs/dbraw/zinc/94/17/20/774941720.db2.gz FZFFLGDRPVBVAX-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099309837 774941726 /nfs/dbraw/zinc/94/17/26/774941726.db2.gz FZFFLGDRPVBVAX-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099309837 774941731 /nfs/dbraw/zinc/94/17/31/774941731.db2.gz FZFFLGDRPVBVAX-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899696 775399933 /nfs/dbraw/zinc/39/99/33/775399933.db2.gz WYRPABZUPKMDFJ-LSDHHAIUSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899696 775399942 /nfs/dbraw/zinc/39/99/42/775399942.db2.gz WYRPABZUPKMDFJ-LSDHHAIUSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899696 775399945 /nfs/dbraw/zinc/39/99/45/775399945.db2.gz WYRPABZUPKMDFJ-LSDHHAIUSA-N 2 1 311.470 1.234 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896296 776009898 /nfs/dbraw/zinc/00/98/98/776009898.db2.gz MLUSDZQOSCNWBB-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896296 776009900 /nfs/dbraw/zinc/00/99/00/776009900.db2.gz MLUSDZQOSCNWBB-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001171725021 776424207 /nfs/dbraw/zinc/42/42/07/776424207.db2.gz DJADGDBKDCBWNR-UHFFFAOYSA-N 2 1 316.449 1.886 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342833 777085387 /nfs/dbraw/zinc/08/53/87/777085387.db2.gz OUQDIXDUISVAFL-WBVHZDCISA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102012932 777794907 /nfs/dbraw/zinc/79/49/07/777794907.db2.gz BVVYVHKNXXSRAM-OAGGEKHMSA-N 2 1 313.461 1.927 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048559 777833464 /nfs/dbraw/zinc/83/34/64/777833464.db2.gz GPDDSRCQOBRAAE-OIISXLGYSA-N 2 1 323.481 1.213 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176125940 778056488 /nfs/dbraw/zinc/05/64/88/778056488.db2.gz RKZPMXURGRCUEQ-UHFFFAOYSA-N 2 1 311.389 1.359 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177478055 778635180 /nfs/dbraw/zinc/63/51/80/778635180.db2.gz QSCVMRADQGBRPK-QGZVFWFLSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438733 778868660 /nfs/dbraw/zinc/86/86/60/778868660.db2.gz YXZPEIBHDMCZQY-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438733 778868666 /nfs/dbraw/zinc/86/86/66/778868666.db2.gz YXZPEIBHDMCZQY-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438733 778868669 /nfs/dbraw/zinc/86/86/69/778868669.db2.gz YXZPEIBHDMCZQY-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCF)C[C@H]2C)CC1 ZINC001103751636 779029090 /nfs/dbraw/zinc/02/90/90/779029090.db2.gz KFNNZBYROUTDNK-NVXWUHKLSA-N 2 1 323.456 1.375 20 30 DDEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267146122 837414619 /nfs/dbraw/zinc/41/46/19/837414619.db2.gz WRTVIQFMXSGZNV-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001267282304 837739437 /nfs/dbraw/zinc/73/94/37/837739437.db2.gz CFRHJJYNJYNHOE-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001267282304 837739444 /nfs/dbraw/zinc/73/94/44/837739444.db2.gz CFRHJJYNJYNHOE-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001267282304 837739449 /nfs/dbraw/zinc/73/94/49/837739449.db2.gz CFRHJJYNJYNHOE-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001267282304 837739452 /nfs/dbraw/zinc/73/94/52/837739452.db2.gz CFRHJJYNJYNHOE-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001279228614 836818896 /nfs/dbraw/zinc/81/88/96/836818896.db2.gz ASVHANAPNFHVRD-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001279228614 836818903 /nfs/dbraw/zinc/81/89/03/836818903.db2.gz ASVHANAPNFHVRD-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001279228614 836818918 /nfs/dbraw/zinc/81/89/18/836818918.db2.gz ASVHANAPNFHVRD-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001271995607 844280129 /nfs/dbraw/zinc/28/01/29/844280129.db2.gz BSMYIEQTXSZFLX-SFHVURJKSA-N 2 1 323.481 1.382 20 30 DDEDMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267703423 838679063 /nfs/dbraw/zinc/67/90/63/838679063.db2.gz OYPICKTULCCIAO-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267725734 838748409 /nfs/dbraw/zinc/74/84/09/838748409.db2.gz AAOSRGKYYUZULU-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267725734 838748414 /nfs/dbraw/zinc/74/84/14/838748414.db2.gz AAOSRGKYYUZULU-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267725734 838748426 /nfs/dbraw/zinc/74/84/26/838748426.db2.gz AAOSRGKYYUZULU-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001267841173 839064912 /nfs/dbraw/zinc/06/49/12/839064912.db2.gz MDJRNPRTGFFFQR-HNNXBMFYSA-N 2 1 314.433 1.406 20 30 DDEDMP C=CCOCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001268044700 839580442 /nfs/dbraw/zinc/58/04/42/839580442.db2.gz YMZAGHKMEFJEHR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001268193238 839818400 /nfs/dbraw/zinc/81/84/00/839818400.db2.gz VAOJHUWOBFTTFM-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268322427 839998827 /nfs/dbraw/zinc/99/88/27/839998827.db2.gz DWBZSBIJEDDNTH-JKSUJKDBSA-N 2 1 311.470 1.282 20 30 DDEDMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001269515695 841717545 /nfs/dbraw/zinc/71/75/45/841717545.db2.gz HNHJHXHFEXBCHW-GOSISDBHSA-N 2 1 315.461 1.863 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC(C)C)C1 ZINC001269742051 841995655 /nfs/dbraw/zinc/99/56/55/841995655.db2.gz QYLOHSKQJIBIAW-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC(C)C)C1 ZINC001269742051 841995670 /nfs/dbraw/zinc/99/56/70/841995670.db2.gz QYLOHSKQJIBIAW-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269785182 842046225 /nfs/dbraw/zinc/04/62/25/842046225.db2.gz LGYBBAABTVIITR-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001269951530 842177519 /nfs/dbraw/zinc/17/75/19/842177519.db2.gz YQKPBYIFJLVHPE-ZIAGYGMSSA-N 2 1 318.421 1.342 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC#CCOC ZINC001270194272 842371005 /nfs/dbraw/zinc/37/10/05/842371005.db2.gz PYPCJCJIPVXVES-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001270316110 842482672 /nfs/dbraw/zinc/48/26/72/842482672.db2.gz QWYJXGSWIORGTA-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001270316110 842482677 /nfs/dbraw/zinc/48/26/77/842482677.db2.gz QWYJXGSWIORGTA-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC001270858245 842969741 /nfs/dbraw/zinc/96/97/41/842969741.db2.gz WVEJACZVAJLMNL-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001271044490 843159636 /nfs/dbraw/zinc/15/96/36/843159636.db2.gz QIIGZXKOCBJBGI-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001271440007 843597154 /nfs/dbraw/zinc/59/71/54/843597154.db2.gz VRKDCHKIJAHCBQ-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001272465983 846163637 /nfs/dbraw/zinc/16/36/37/846163637.db2.gz OLXZDEWPEILGHI-HOTGVXAUSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCF)C1 ZINC001272465983 846163646 /nfs/dbraw/zinc/16/36/46/846163646.db2.gz OLXZDEWPEILGHI-HOTGVXAUSA-N 2 1 309.429 1.272 20 30 DDEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001272503462 846231848 /nfs/dbraw/zinc/23/18/48/846231848.db2.gz DCOKEDCVFOLLKY-SJORKVTESA-N 2 1 323.481 1.426 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001272589869 846366979 /nfs/dbraw/zinc/36/69/79/846366979.db2.gz BZPFQJAINRKJKW-MRXNPFEDSA-N 2 1 309.454 1.113 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001326987288 861773468 /nfs/dbraw/zinc/77/34/68/861773468.db2.gz BEWMMPWJNQWXDH-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807625 847457985 /nfs/dbraw/zinc/45/79/85/847457985.db2.gz CTYATXHLYUNDPQ-GOSISDBHSA-N 2 1 312.417 1.332 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807625 847457989 /nfs/dbraw/zinc/45/79/89/847457989.db2.gz CTYATXHLYUNDPQ-GOSISDBHSA-N 2 1 312.417 1.332 20 30 DDEDMP N#CCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CC[NH2+]CC1 ZINC001273030228 847811909 /nfs/dbraw/zinc/81/19/09/847811909.db2.gz MUOWDPPCEDMJOK-HZPDHXFCSA-N 2 1 304.438 1.355 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001273143080 848548531 /nfs/dbraw/zinc/54/85/31/848548531.db2.gz BBUOGQGOPMEQOA-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001273316484 849420105 /nfs/dbraw/zinc/42/01/05/849420105.db2.gz SURSUNQYZQMPBY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCCC[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273541473 851075940 /nfs/dbraw/zinc/07/59/40/851075940.db2.gz BSICMBARUCPERI-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001273591268 851124208 /nfs/dbraw/zinc/12/42/08/851124208.db2.gz KYFMJZGQVAKSLG-KRWDZBQOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCOC)CC1 ZINC001274344624 852171667 /nfs/dbraw/zinc/17/16/67/852171667.db2.gz AEVWQAZGKGNBPB-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCOC)CC1 ZINC001274344624 852171677 /nfs/dbraw/zinc/17/16/77/852171677.db2.gz AEVWQAZGKGNBPB-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274621838 852455239 /nfs/dbraw/zinc/45/52/39/852455239.db2.gz XZPRQFRVDRXWOJ-AEFFLSMTSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncc(C)c1 ZINC001274791188 852601025 /nfs/dbraw/zinc/60/10/25/852601025.db2.gz DWMOBLRTNCJGPA-WBVHZDCISA-N 2 1 314.433 1.082 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cncc(C)c1 ZINC001274791188 852601028 /nfs/dbraw/zinc/60/10/28/852601028.db2.gz DWMOBLRTNCJGPA-WBVHZDCISA-N 2 1 314.433 1.082 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001274867834 852657616 /nfs/dbraw/zinc/65/76/16/852657616.db2.gz PNMGUBJKTMDAOE-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001275081683 852791510 /nfs/dbraw/zinc/79/15/10/852791510.db2.gz ZFPYMYYLRLUDSE-CGTJXYLNSA-N 2 1 313.445 1.886 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001275108744 852814042 /nfs/dbraw/zinc/81/40/42/852814042.db2.gz PCWWEEWHPSBCPM-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275108744 852814044 /nfs/dbraw/zinc/81/40/44/852814044.db2.gz PCWWEEWHPSBCPM-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275108744 852814046 /nfs/dbraw/zinc/81/40/46/852814046.db2.gz PCWWEEWHPSBCPM-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001276242989 855036462 /nfs/dbraw/zinc/03/64/62/855036462.db2.gz UNRDGIMRCURFNQ-CALCHBBNSA-N 2 1 316.424 1.908 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC001276242989 855036466 /nfs/dbraw/zinc/03/64/66/855036466.db2.gz UNRDGIMRCURFNQ-CALCHBBNSA-N 2 1 316.424 1.908 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001276318569 855649601 /nfs/dbraw/zinc/64/96/01/855649601.db2.gz CUBRMMSIQKGOPD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001276318569 855649608 /nfs/dbraw/zinc/64/96/08/855649608.db2.gz CUBRMMSIQKGOPD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001276318569 855649612 /nfs/dbraw/zinc/64/96/12/855649612.db2.gz CUBRMMSIQKGOPD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121772491 858592805 /nfs/dbraw/zinc/59/28/05/858592805.db2.gz BKXRZUVNBDECSE-XOGYLQAWSA-N 2 1 303.450 1.369 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001121928771 858637380 /nfs/dbraw/zinc/63/73/80/858637380.db2.gz UCJCFNNFBPWVMM-AWEZNQCLSA-N 3 1 317.437 1.456 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122056329 858674165 /nfs/dbraw/zinc/67/41/65/858674165.db2.gz OTKMPRVAKVVAQJ-JFPDKAJLSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCCC)CC1 ZINC001276977103 881426647 /nfs/dbraw/zinc/42/66/47/881426647.db2.gz GVFSANVQXAEHSK-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001161208095 860595862 /nfs/dbraw/zinc/59/58/62/860595862.db2.gz ZLTFLUVELVTPDV-WBVHZDCISA-N 2 1 303.450 1.346 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475463 863081405 /nfs/dbraw/zinc/08/14/05/863081405.db2.gz GXIDZEXMMQBCGR-MRXNPFEDSA-N 2 1 311.470 1.195 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814768 864128206 /nfs/dbraw/zinc/12/82/06/864128206.db2.gz XNVLLEGBUYQYLE-IAGOWNOFSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001153814768 864128198 /nfs/dbraw/zinc/12/81/98/864128198.db2.gz XNVLLEGBUYQYLE-IAGOWNOFSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001153814768 864128202 /nfs/dbraw/zinc/12/82/02/864128202.db2.gz XNVLLEGBUYQYLE-IAGOWNOFSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC(C)C)C(C)C ZINC001331202183 864939113 /nfs/dbraw/zinc/93/91/13/864939113.db2.gz CLKANNORYNLDJS-SJORKVTESA-N 2 1 307.482 1.861 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC(C)C)C(C)C ZINC001331202183 864939125 /nfs/dbraw/zinc/93/91/25/864939125.db2.gz CLKANNORYNLDJS-SJORKVTESA-N 2 1 307.482 1.861 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332033324 865519279 /nfs/dbraw/zinc/51/92/79/865519279.db2.gz ULTXPCUHENZNJA-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159908177 865587401 /nfs/dbraw/zinc/58/74/01/865587401.db2.gz GMWBFFPDUUYBAC-KRWDZBQOSA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001332142829 865610316 /nfs/dbraw/zinc/61/03/16/865610316.db2.gz XXLSJXLZVQLSIC-CGTJXYLNSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160293739 865767635 /nfs/dbraw/zinc/76/76/35/865767635.db2.gz ZZVZDMWSTHGPIP-KRWDZBQOSA-N 2 1 323.456 1.828 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001332649248 866021716 /nfs/dbraw/zinc/02/17/16/866021716.db2.gz VCTPALCGLDABQV-CVEARBPZSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001332649248 866021735 /nfs/dbraw/zinc/02/17/35/866021735.db2.gz VCTPALCGLDABQV-CVEARBPZSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001332649248 866021750 /nfs/dbraw/zinc/02/17/50/866021750.db2.gz VCTPALCGLDABQV-CVEARBPZSA-N 2 1 311.470 1.188 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001323015529 866271137 /nfs/dbraw/zinc/27/11/37/866271137.db2.gz PQNSEBWQWQVFOJ-IRXDYDNUSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001323015529 866271148 /nfs/dbraw/zinc/27/11/48/866271148.db2.gz PQNSEBWQWQVFOJ-IRXDYDNUSA-N 2 1 303.450 1.369 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001320109509 866479295 /nfs/dbraw/zinc/47/92/95/866479295.db2.gz CQWLVXQHUHMZAA-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001320109509 866479299 /nfs/dbraw/zinc/47/92/99/866479299.db2.gz CQWLVXQHUHMZAA-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001320109509 866479305 /nfs/dbraw/zinc/47/93/05/866479305.db2.gz CQWLVXQHUHMZAA-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001320162361 866522617 /nfs/dbraw/zinc/52/26/17/866522617.db2.gz DMGWOPOYDXBSQJ-JKSUJKDBSA-N 2 1 307.482 1.862 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001333644448 866896962 /nfs/dbraw/zinc/89/69/62/866896962.db2.gz XHWCBLRMPZFFRW-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001333644448 866896975 /nfs/dbraw/zinc/89/69/75/866896975.db2.gz XHWCBLRMPZFFRW-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001333644448 866896987 /nfs/dbraw/zinc/89/69/87/866896987.db2.gz XHWCBLRMPZFFRW-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001333644448 866897004 /nfs/dbraw/zinc/89/70/04/866897004.db2.gz XHWCBLRMPZFFRW-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001333644448 866897016 /nfs/dbraw/zinc/89/70/16/866897016.db2.gz XHWCBLRMPZFFRW-DOTOQJQBSA-N 2 1 318.465 1.400 20 30 DDEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161856860 867034963 /nfs/dbraw/zinc/03/49/63/867034963.db2.gz JRUDRNPOJUSVJR-HNNXBMFYSA-N 2 1 311.857 1.829 20 30 DDEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001161856860 867034986 /nfs/dbraw/zinc/03/49/86/867034986.db2.gz JRUDRNPOJUSVJR-HNNXBMFYSA-N 2 1 311.857 1.829 20 30 DDEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161856860 867035006 /nfs/dbraw/zinc/03/50/06/867035006.db2.gz JRUDRNPOJUSVJR-HNNXBMFYSA-N 2 1 311.857 1.829 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001161856860 867035022 /nfs/dbraw/zinc/03/50/22/867035022.db2.gz JRUDRNPOJUSVJR-HNNXBMFYSA-N 2 1 311.857 1.829 20 30 DDEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001321064182 867278632 /nfs/dbraw/zinc/27/86/32/867278632.db2.gz LSNIPOONIQEGCP-MOEXGYKKSA-N 2 1 303.450 1.536 20 30 DDEDMP CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CC#CCOC)C1 ZINC001321207594 867402708 /nfs/dbraw/zinc/40/27/08/867402708.db2.gz IBIOICBGKDSQFA-BDUNBXCCSA-N 2 1 321.465 1.020 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)(COC)CC1 ZINC001162562996 867642451 /nfs/dbraw/zinc/64/24/51/867642451.db2.gz BYGYNIAWNLRNSI-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001325054010 867723000 /nfs/dbraw/zinc/72/30/00/867723000.db2.gz MALDKWQPJIHAHC-CYBMUJFWSA-N 2 1 303.397 1.586 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325054010 867723014 /nfs/dbraw/zinc/72/30/14/867723014.db2.gz MALDKWQPJIHAHC-CYBMUJFWSA-N 2 1 303.397 1.586 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325054010 867723025 /nfs/dbraw/zinc/72/30/25/867723025.db2.gz MALDKWQPJIHAHC-CYBMUJFWSA-N 2 1 303.397 1.586 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243462 868072683 /nfs/dbraw/zinc/07/26/83/868072683.db2.gz FYCBSUCAKLYPOR-PBHICJAKSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322243462 868072702 /nfs/dbraw/zinc/07/27/02/868072702.db2.gz FYCBSUCAKLYPOR-PBHICJAKSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001322243462 868072718 /nfs/dbraw/zinc/07/27/18/868072718.db2.gz FYCBSUCAKLYPOR-PBHICJAKSA-N 2 1 311.445 1.659 20 30 DDEDMP Cc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c(C=NO)c1 ZINC001165173881 869415654 /nfs/dbraw/zinc/41/56/54/869415654.db2.gz YXNJHPCOUHGXGN-OAHLLOKOSA-N 2 1 303.410 1.057 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317422243 870799556 /nfs/dbraw/zinc/79/95/56/870799556.db2.gz GWEMZHQEVLUCBL-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317422243 870799572 /nfs/dbraw/zinc/79/95/72/870799572.db2.gz GWEMZHQEVLUCBL-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317422243 870799589 /nfs/dbraw/zinc/79/95/89/870799589.db2.gz GWEMZHQEVLUCBL-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317528064 870999498 /nfs/dbraw/zinc/99/94/98/870999498.db2.gz GNUPSQNJAJWXPH-WMLDXEAASA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317528064 870999508 /nfs/dbraw/zinc/99/95/08/870999508.db2.gz GNUPSQNJAJWXPH-WMLDXEAASA-N 2 1 311.445 1.823 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317528064 870999517 /nfs/dbraw/zinc/99/95/17/870999517.db2.gz GNUPSQNJAJWXPH-WMLDXEAASA-N 2 1 311.445 1.823 20 30 DDEDMP C#CCC[N@@H+](CCC)CCNC(=O)C1CC[NH+](CC#C)CC1 ZINC001317545743 871036915 /nfs/dbraw/zinc/03/69/15/871036915.db2.gz JBULHCWAYRSIIJ-UHFFFAOYSA-N 2 1 303.450 1.183 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001316747843 871988900 /nfs/dbraw/zinc/98/89/00/871988900.db2.gz YSJGPJPTTOHOED-QGZVFWFLSA-N 2 1 323.481 1.190 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001318760216 872251082 /nfs/dbraw/zinc/25/10/82/872251082.db2.gz RUEPEKKJWKIENB-YJBOKZPZSA-N 2 1 316.449 1.870 20 30 DDEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001479678619 872586370 /nfs/dbraw/zinc/58/63/70/872586370.db2.gz POGFJXVCKGHGKC-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479678619 872586379 /nfs/dbraw/zinc/58/63/79/872586379.db2.gz POGFJXVCKGHGKC-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001479678619 872586392 /nfs/dbraw/zinc/58/63/92/872586392.db2.gz POGFJXVCKGHGKC-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001207336350 873201378 /nfs/dbraw/zinc/20/13/78/873201378.db2.gz HWHUNXOXALNONJ-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207336350 873201383 /nfs/dbraw/zinc/20/13/83/873201383.db2.gz HWHUNXOXALNONJ-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001207336350 873201388 /nfs/dbraw/zinc/20/13/88/873201388.db2.gz HWHUNXOXALNONJ-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207393591 873229034 /nfs/dbraw/zinc/22/90/34/873229034.db2.gz CXCHMVGEWWXDAK-MRXNPFEDSA-N 2 1 319.453 1.259 20 30 DDEDMP C=CCOC[C@@H]1c2nnn(C)c2CC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207393591 873229045 /nfs/dbraw/zinc/22/90/45/873229045.db2.gz CXCHMVGEWWXDAK-MRXNPFEDSA-N 2 1 319.453 1.259 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208333963 874025815 /nfs/dbraw/zinc/02/58/15/874025815.db2.gz BGFWTKDBHULZBR-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCCC[N@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001209266713 874765081 /nfs/dbraw/zinc/76/50/81/874765081.db2.gz AVOHVYDFBZLROX-UHFFFAOYSA-N 2 1 316.449 1.704 20 30 DDEDMP C#CCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](CC)CC)nc2C1 ZINC001209266713 874765083 /nfs/dbraw/zinc/76/50/83/874765083.db2.gz AVOHVYDFBZLROX-UHFFFAOYSA-N 2 1 316.449 1.704 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478163 874912682 /nfs/dbraw/zinc/91/26/82/874912682.db2.gz PQZYHKJCKZDWDM-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209478163 874912689 /nfs/dbraw/zinc/91/26/89/874912689.db2.gz PQZYHKJCKZDWDM-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269946 875735496 /nfs/dbraw/zinc/73/54/96/875735496.db2.gz WBNAVSNPBMPFFX-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444352 875811577 /nfs/dbraw/zinc/81/15/77/875811577.db2.gz WJPRYEYNOQKXQQ-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001214880548 876492108 /nfs/dbraw/zinc/49/21/08/876492108.db2.gz OCWVZULMCGNUIK-OQDJSUHQSA-N 2 1 309.841 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C\Cl)C1 ZINC001214880548 876492111 /nfs/dbraw/zinc/49/21/11/876492111.db2.gz OCWVZULMCGNUIK-OQDJSUHQSA-N 2 1 309.841 1.273 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219941598 878609987 /nfs/dbraw/zinc/60/99/87/878609987.db2.gz GUKPEBIKZFYMIX-XHSDSOJGSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119462 878714736 /nfs/dbraw/zinc/71/47/36/878714736.db2.gz NRHMOBOJTNTAML-XHSDSOJGSA-N 2 1 323.481 1.377 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587830 879961482 /nfs/dbraw/zinc/96/14/82/879961482.db2.gz JZZTZPQEANNKRO-BZUAXINKSA-N 2 1 309.429 1.222 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587830 879961496 /nfs/dbraw/zinc/96/14/96/879961496.db2.gz JZZTZPQEANNKRO-BZUAXINKSA-N 2 1 309.429 1.222 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811966 880104013 /nfs/dbraw/zinc/10/40/13/880104013.db2.gz RDCBDGCMHBSBKX-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811966 880104016 /nfs/dbraw/zinc/10/40/16/880104016.db2.gz RDCBDGCMHBSBKX-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP N#Cc1cccc2c(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)c[nH]c21 ZINC001222090719 880234353 /nfs/dbraw/zinc/23/43/53/880234353.db2.gz HOAVEJPIRFRHQY-UHFFFAOYSA-N 2 1 309.417 1.567 20 30 DDEDMP N#CC1(C[C@@H](O)C[NH+]2CCC([NH2+]C3CCOCC3)CC2)CCC1 ZINC001414030352 881113733 /nfs/dbraw/zinc/11/37/33/881113733.db2.gz ARJYLZBXLFZZQP-QGZVFWFLSA-N 2 1 321.465 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001227848753 883199555 /nfs/dbraw/zinc/19/95/55/883199555.db2.gz CEGYBEUDADZUNQ-KRWDZBQOSA-N 2 1 323.456 1.804 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCCF)CC1 ZINC001227848753 883199562 /nfs/dbraw/zinc/19/95/62/883199562.db2.gz CEGYBEUDADZUNQ-KRWDZBQOSA-N 2 1 323.456 1.804 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345448 887890489 /nfs/dbraw/zinc/89/04/89/887890489.db2.gz JDFDREHYDQYARZ-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339763 888570370 /nfs/dbraw/zinc/57/03/70/888570370.db2.gz YNSAIETZIAXYKC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339763 888570381 /nfs/dbraw/zinc/57/03/81/888570381.db2.gz YNSAIETZIAXYKC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235339763 888570394 /nfs/dbraw/zinc/57/03/94/888570394.db2.gz YNSAIETZIAXYKC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235339763 888570401 /nfs/dbraw/zinc/57/04/01/888570401.db2.gz YNSAIETZIAXYKC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C[NH+](C)CCN1CCO[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001277952249 888735242 /nfs/dbraw/zinc/73/52/42/888735242.db2.gz WJTZNVOGBHFIQK-QGZVFWFLSA-N 2 1 308.470 1.409 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001265526080 902095761 /nfs/dbraw/zinc/09/57/61/902095761.db2.gz QWWPWCYKDBTRGB-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001265526080 902095774 /nfs/dbraw/zinc/09/57/74/902095774.db2.gz QWWPWCYKDBTRGB-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001265526080 902095788 /nfs/dbraw/zinc/09/57/88/902095788.db2.gz QWWPWCYKDBTRGB-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001265704145 902318970 /nfs/dbraw/zinc/31/89/70/902318970.db2.gz ZHRGSNZTLSBXRW-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001265704145 902318980 /nfs/dbraw/zinc/31/89/80/902318980.db2.gz ZHRGSNZTLSBXRW-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265704145 902318984 /nfs/dbraw/zinc/31/89/84/902318984.db2.gz ZHRGSNZTLSBXRW-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001266138326 903005949 /nfs/dbraw/zinc/00/59/49/903005949.db2.gz CPXQPCPAGAZAJV-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001266138326 903005964 /nfs/dbraw/zinc/00/59/64/903005964.db2.gz CPXQPCPAGAZAJV-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001266138326 903005975 /nfs/dbraw/zinc/00/59/75/903005975.db2.gz CPXQPCPAGAZAJV-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001266176099 903063122 /nfs/dbraw/zinc/06/31/22/903063122.db2.gz AGNWSGXBZFJIQY-SFHVURJKSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001266176099 903063138 /nfs/dbraw/zinc/06/31/38/903063138.db2.gz AGNWSGXBZFJIQY-SFHVURJKSA-N 2 1 313.445 1.893 20 30 DDEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001280831698 904092062 /nfs/dbraw/zinc/09/20/62/904092062.db2.gz FUXVKMBTVJJMBO-UHFFFAOYSA-N 2 1 321.465 1.045 20 30 DDEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001281748210 905195385 /nfs/dbraw/zinc/19/53/85/905195385.db2.gz SPDJMTZAJBFWCO-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CCCC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281820628 905243795 /nfs/dbraw/zinc/24/37/95/905243795.db2.gz JUVITKNPTSUGLK-INIZCTEOSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001283011778 906463160 /nfs/dbraw/zinc/46/31/60/906463160.db2.gz WNHUXINNMXITHJ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283754175 907905657 /nfs/dbraw/zinc/90/56/57/907905657.db2.gz AZRGIVHGMQHDRB-HZPDHXFCSA-N 2 1 323.481 1.284 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001284087940 908455324 /nfs/dbraw/zinc/45/53/24/908455324.db2.gz SOLPKOLUVMXIDP-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000108575890 353955224 /nfs/dbraw/zinc/95/52/24/353955224.db2.gz SYVUPUVUCLRSCT-KRWDZBQOSA-N 2 1 320.481 1.810 20 30 DDEDMP Cc1[nH]c(C#N)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000590624775 355132785 /nfs/dbraw/zinc/13/27/85/355132785.db2.gz ATILTOCACLGEDW-UHFFFAOYSA-N 2 1 324.388 1.594 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595944653 356716577 /nfs/dbraw/zinc/71/65/77/356716577.db2.gz IDBRSRIYFCBTHU-ZBFHGGJFSA-N 2 1 306.454 1.921 20 30 DDEDMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598620979 357657568 /nfs/dbraw/zinc/65/75/68/357657568.db2.gz QOQIYVXNPWQPHP-HNNXBMFYSA-N 2 1 311.470 1.360 20 30 DDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598720618 357703504 /nfs/dbraw/zinc/70/35/04/357703504.db2.gz PYOSTGOWLSWHHQ-INIZCTEOSA-N 2 1 311.470 1.766 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602577174 359052350 /nfs/dbraw/zinc/05/23/50/359052350.db2.gz UJGUUQHNDWOMGW-IAGOWNOFSA-N 2 1 314.433 1.646 20 30 DDEDMP OC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339745497 223272202 /nfs/dbraw/zinc/27/22/02/223272202.db2.gz FGUCUCBRHVYJFG-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP OC[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](CO)CC2)CC1 ZINC000339745497 223272203 /nfs/dbraw/zinc/27/22/03/223272203.db2.gz FGUCUCBRHVYJFG-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP OC[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](CO)CC2)CC1 ZINC000339745497 223272205 /nfs/dbraw/zinc/27/22/05/223272205.db2.gz FGUCUCBRHVYJFG-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158653514 197291541 /nfs/dbraw/zinc/29/15/41/197291541.db2.gz CNHQJIILXJIPQJ-BRWVUGGUSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158653514 197291544 /nfs/dbraw/zinc/29/15/44/197291544.db2.gz CNHQJIILXJIPQJ-BRWVUGGUSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158653514 197291545 /nfs/dbraw/zinc/29/15/45/197291545.db2.gz CNHQJIILXJIPQJ-BRWVUGGUSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158653514 197291547 /nfs/dbraw/zinc/29/15/47/197291547.db2.gz CNHQJIILXJIPQJ-BRWVUGGUSA-N 2 1 305.466 1.992 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187056437 407815648 /nfs/dbraw/zinc/81/56/48/407815648.db2.gz GGXGKQZIDSUIID-YOEHRIQHSA-N 2 1 318.465 1.836 20 30 DDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC000191330514 408408423 /nfs/dbraw/zinc/40/84/23/408408423.db2.gz QSCWWMUIKFDJMU-MRXNPFEDSA-N 2 1 301.438 1.109 20 30 DDEDMP C#CCNC(=O)[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274815797 408542584 /nfs/dbraw/zinc/54/25/84/408542584.db2.gz IRNIUAJODCLNFP-RYRKJORJSA-N 2 1 313.445 1.625 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274815797 408542587 /nfs/dbraw/zinc/54/25/87/408542587.db2.gz IRNIUAJODCLNFP-RYRKJORJSA-N 2 1 313.445 1.625 20 30 DDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)CCC#N)CC2)CC1 ZINC000351321609 410058948 /nfs/dbraw/zinc/05/89/48/410058948.db2.gz BNZJMIZOXNULNC-INIZCTEOSA-N 2 1 320.481 1.945 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000195522172 222203661 /nfs/dbraw/zinc/20/36/61/222203661.db2.gz IUBBOKBKIFTHRJ-MRXNPFEDSA-N 2 1 320.437 1.383 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261965293 222264399 /nfs/dbraw/zinc/26/43/99/222264399.db2.gz LHSDAUMFFOGYSF-MAUKXSAKSA-N 2 1 320.481 1.549 20 30 DDEDMP CC[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262007150 222269052 /nfs/dbraw/zinc/26/90/52/222269052.db2.gz VWEBOAKXBZNSKI-IUODEOHRSA-N 2 1 306.458 1.502 20 30 DDEDMP Cc1nc(C[NH+]2CCC(CNC3=[NH+]C[C@H](C)N3)CC2)oc1C ZINC000262200919 222272905 /nfs/dbraw/zinc/27/29/05/222272905.db2.gz ATYZEOFDVOKATI-NSHDSACASA-N 2 1 305.426 1.441 20 30 DDEDMP C[NH+]=C(NC[C@H](C1CC1)N(C)C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262451071 222281199 /nfs/dbraw/zinc/28/11/99/222281199.db2.gz JWKOHCZVYSJWEQ-IAGOWNOFSA-N 2 1 321.513 1.462 20 30 DDEDMP C#CCNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)=[NH+]C ZINC000262455636 222281707 /nfs/dbraw/zinc/28/17/07/222281707.db2.gz WTIJYYDKFRZOPM-DZGCQCFKSA-N 2 1 304.463 1.929 20 30 DDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1ccc[nH]1 ZINC000262818441 222297194 /nfs/dbraw/zinc/29/71/94/222297194.db2.gz WGRAQQDOUOIKLY-OAHLLOKOSA-N 2 1 309.483 1.459 20 30 DDEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000263093758 222302153 /nfs/dbraw/zinc/30/21/53/222302153.db2.gz JCECEGVPONYFSV-DJIMGWMZSA-N 2 1 316.449 1.461 20 30 DDEDMP CCOc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000264118517 222321146 /nfs/dbraw/zinc/32/11/46/222321146.db2.gz QPGFSPVQLUTJEQ-OAHLLOKOSA-N 2 1 304.438 1.974 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000370022467 418739953 /nfs/dbraw/zinc/73/99/53/418739953.db2.gz WRNPDCVYQSCFPZ-WBVHZDCISA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCN(C(=O)C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363844017 418770552 /nfs/dbraw/zinc/77/05/52/418770552.db2.gz KYIMWGROFFTCAM-QGZVFWFLSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CCN(C(=O)C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363844017 418770554 /nfs/dbraw/zinc/77/05/54/418770554.db2.gz KYIMWGROFFTCAM-QGZVFWFLSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CC[N@H+](C)CCN(CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000411640861 419369214 /nfs/dbraw/zinc/36/92/14/419369214.db2.gz LBKWKUSJCSNFRQ-UHFFFAOYSA-N 2 1 310.486 1.027 20 30 DDEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661853208 424232971 /nfs/dbraw/zinc/23/29/71/424232971.db2.gz OVZRVCHWOSPNFA-BDXSIMOUSA-N 2 1 308.466 1.988 20 30 DDEDMP C=CC[C@@]1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000662749581 424755257 /nfs/dbraw/zinc/75/52/57/424755257.db2.gz JUAFEZZZQVSEMB-WMZOPIPTSA-N 2 1 305.466 1.875 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528474164 267288154 /nfs/dbraw/zinc/28/81/54/267288154.db2.gz HVWKMUWHUHTPJO-IAGOWNOFSA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528474164 267288156 /nfs/dbraw/zinc/28/81/56/267288156.db2.gz HVWKMUWHUHTPJO-IAGOWNOFSA-N 2 1 317.433 1.714 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000491711145 275380394 /nfs/dbraw/zinc/38/03/94/275380394.db2.gz WAAPSRAELHAFNX-CQSZACIVSA-N 2 1 302.422 1.461 20 30 DDEDMP CC[NH+]=C(NCc1ccoc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179082161 275803767 /nfs/dbraw/zinc/80/37/67/275803767.db2.gz OVWHJFZNNQMBMN-INIZCTEOSA-N 2 1 320.437 1.399 20 30 DDEDMP CC[NH+]=C(NCc1c[nH]nc1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262007144 278168605 /nfs/dbraw/zinc/16/86/05/278168605.db2.gz VWEBOAKXBZNSKI-DOMZBBRYSA-N 2 1 306.458 1.502 20 30 DDEDMP CN(C)C(=[NH+]Cc1ccccc1C[NH+]1CCOCC1)N(C)C ZINC000104156835 281898276 /nfs/dbraw/zinc/89/82/76/281898276.db2.gz VFYODHACCDEQOC-UHFFFAOYSA-N 2 1 304.438 1.498 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458346187 526434611 /nfs/dbraw/zinc/43/46/11/526434611.db2.gz WLYSKGHAXIFONV-OAHLLOKOSA-N 2 1 308.470 1.668 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000491700287 526807556 /nfs/dbraw/zinc/80/75/56/526807556.db2.gz CXWIEJCDJSDHOY-CVEARBPZSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000491700287 526807563 /nfs/dbraw/zinc/80/75/63/526807563.db2.gz CXWIEJCDJSDHOY-CVEARBPZSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000491700287 526807568 /nfs/dbraw/zinc/80/75/68/526807568.db2.gz CXWIEJCDJSDHOY-CVEARBPZSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000491821474 526811789 /nfs/dbraw/zinc/81/17/89/526811789.db2.gz VWCBVXLREATVLN-MRXNPFEDSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000491821474 526811798 /nfs/dbraw/zinc/81/17/98/526811798.db2.gz VWCBVXLREATVLN-MRXNPFEDSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000491821474 526811803 /nfs/dbraw/zinc/81/18/03/526811803.db2.gz VWCBVXLREATVLN-MRXNPFEDSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000491065976 526919489 /nfs/dbraw/zinc/91/94/89/526919489.db2.gz AMPDIFLQDFONOO-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#C[C@H](CC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491545510 527348748 /nfs/dbraw/zinc/34/87/48/527348748.db2.gz QNMNHQPEAJUYQZ-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673986 695058763 /nfs/dbraw/zinc/05/87/63/695058763.db2.gz LZLIFLNZKKRMCX-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000971673986 695058766 /nfs/dbraw/zinc/05/87/66/695058766.db2.gz LZLIFLNZKKRMCX-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000971673986 695058770 /nfs/dbraw/zinc/05/87/70/695058770.db2.gz LZLIFLNZKKRMCX-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972006389 695137959 /nfs/dbraw/zinc/13/79/59/695137959.db2.gz SFIASYDAUYJUGS-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972168209 695168228 /nfs/dbraw/zinc/16/82/28/695168228.db2.gz LNVPFGUEHZTHSL-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972168209 695168229 /nfs/dbraw/zinc/16/82/29/695168229.db2.gz LNVPFGUEHZTHSL-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972168209 695168230 /nfs/dbraw/zinc/16/82/30/695168230.db2.gz LNVPFGUEHZTHSL-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972168209 695168231 /nfs/dbraw/zinc/16/82/31/695168231.db2.gz LNVPFGUEHZTHSL-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554614 695281469 /nfs/dbraw/zinc/28/14/69/695281469.db2.gz RAXXUFUYTJMMHS-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554614 695281472 /nfs/dbraw/zinc/28/14/72/695281472.db2.gz RAXXUFUYTJMMHS-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974901171 695756752 /nfs/dbraw/zinc/75/67/52/695756752.db2.gz QIIGRHGVBGYOCH-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974901171 695756753 /nfs/dbraw/zinc/75/67/53/695756753.db2.gz QIIGRHGVBGYOCH-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975050247 695785132 /nfs/dbraw/zinc/78/51/32/695785132.db2.gz LJOZJTKGIAETMT-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975050247 695785134 /nfs/dbraw/zinc/78/51/34/695785134.db2.gz LJOZJTKGIAETMT-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975050247 695785135 /nfs/dbraw/zinc/78/51/35/695785135.db2.gz LJOZJTKGIAETMT-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC)CC2(C)C)CC1 ZINC000977655439 696246076 /nfs/dbraw/zinc/24/60/76/696246076.db2.gz OMZMOELHFBXOAC-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982402 696993483 /nfs/dbraw/zinc/99/34/83/696993483.db2.gz UALOAVZTSGGTFR-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982157642 697044653 /nfs/dbraw/zinc/04/46/53/697044653.db2.gz VPVKZZXSJCYNSR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982157642 697044656 /nfs/dbraw/zinc/04/46/56/697044656.db2.gz VPVKZZXSJCYNSR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157642 697044659 /nfs/dbraw/zinc/04/46/59/697044659.db2.gz VPVKZZXSJCYNSR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157642 697044662 /nfs/dbraw/zinc/04/46/62/697044662.db2.gz VPVKZZXSJCYNSR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982373603 697116456 /nfs/dbraw/zinc/11/64/56/697116456.db2.gz GQAZGMPTAKYVOJ-HDICACEKSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982373603 697116458 /nfs/dbraw/zinc/11/64/58/697116458.db2.gz GQAZGMPTAKYVOJ-HDICACEKSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982519539 697143895 /nfs/dbraw/zinc/14/38/95/697143895.db2.gz FILMCHGOPVQBFC-QRQLOZEOSA-N 2 1 319.493 1.766 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000985491623 697518785 /nfs/dbraw/zinc/51/87/85/697518785.db2.gz GRBOEUNMUDXLOX-GDBMZVCRSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000985491623 697518788 /nfs/dbraw/zinc/51/87/88/697518788.db2.gz GRBOEUNMUDXLOX-GDBMZVCRSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985491623 697518791 /nfs/dbraw/zinc/51/87/91/697518791.db2.gz GRBOEUNMUDXLOX-GDBMZVCRSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000985491623 697518793 /nfs/dbraw/zinc/51/87/93/697518793.db2.gz GRBOEUNMUDXLOX-GDBMZVCRSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000985801470 697576599 /nfs/dbraw/zinc/57/65/99/697576599.db2.gz BBMSZCOEKKNMCP-UHFFFAOYSA-N 2 1 313.445 1.918 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000303779645 698606418 /nfs/dbraw/zinc/60/64/18/698606418.db2.gz KTCIYLNACZMQLQ-OAHLLOKOSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN(C)CC(F)(F)F ZINC000303904632 698611233 /nfs/dbraw/zinc/61/12/33/698611233.db2.gz VAVAGDMAYSNPBZ-GFCCVEGCSA-N 2 1 323.407 1.259 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989614830 698695846 /nfs/dbraw/zinc/69/58/46/698695846.db2.gz MVTGWWMZAPOCJT-HIFRSBDPSA-N 2 1 311.389 1.646 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989670733 698718780 /nfs/dbraw/zinc/71/87/80/698718780.db2.gz HZFMDTYZKQKETB-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990616820 699109868 /nfs/dbraw/zinc/10/98/68/699109868.db2.gz SSQSWRMBBQLFEO-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990616820 699109870 /nfs/dbraw/zinc/10/98/70/699109870.db2.gz SSQSWRMBBQLFEO-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990616820 699109873 /nfs/dbraw/zinc/10/98/73/699109873.db2.gz SSQSWRMBBQLFEO-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000730098413 699501045 /nfs/dbraw/zinc/50/10/45/699501045.db2.gz BWQGDULOCNJOHR-ZWKOTPCHSA-N 2 1 313.445 1.812 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000730098413 699501046 /nfs/dbraw/zinc/50/10/46/699501046.db2.gz BWQGDULOCNJOHR-ZWKOTPCHSA-N 2 1 313.445 1.812 20 30 DDEDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000819288062 704101271 /nfs/dbraw/zinc/10/12/71/704101271.db2.gz UMCVBNRAQPTRCW-QGZVFWFLSA-N 2 1 316.449 1.207 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C#CC(C)(C)C ZINC000837383795 707633673 /nfs/dbraw/zinc/63/36/73/707633673.db2.gz QKGRIMSMGJGNON-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884195395 708182503 /nfs/dbraw/zinc/18/25/03/708182503.db2.gz LNPSYCRJCPVBCX-BUTPEJBISA-N 2 1 315.421 1.083 20 30 DDEDMP CC(C)c1[nH+]ccn1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884196505 708183249 /nfs/dbraw/zinc/18/32/49/708183249.db2.gz SXDSJTHUKFLDKO-XOYHFGRZSA-N 2 1 315.421 1.262 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000884300237 708233069 /nfs/dbraw/zinc/23/30/69/708233069.db2.gz SWFDNHGFGQUWCP-INIZCTEOSA-N 2 1 318.465 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000884300237 708233071 /nfs/dbraw/zinc/23/30/71/708233071.db2.gz SWFDNHGFGQUWCP-INIZCTEOSA-N 2 1 318.465 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000899561365 709112873 /nfs/dbraw/zinc/11/28/73/709112873.db2.gz FILYDEPCJILYFZ-INIZCTEOSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000899561365 709112876 /nfs/dbraw/zinc/11/28/76/709112876.db2.gz FILYDEPCJILYFZ-INIZCTEOSA-N 2 1 303.450 1.561 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cncc(C#N)c2)C1 ZINC000902324046 710717202 /nfs/dbraw/zinc/71/72/02/710717202.db2.gz KJORBHWFAXOFKQ-AWEZNQCLSA-N 2 1 303.366 1.061 20 30 DDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cncc(C#N)c2)C1 ZINC000902324046 710717206 /nfs/dbraw/zinc/71/72/06/710717206.db2.gz KJORBHWFAXOFKQ-AWEZNQCLSA-N 2 1 303.366 1.061 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000928656147 713254420 /nfs/dbraw/zinc/25/44/20/713254420.db2.gz MSKMIACZQJAJHD-MRXNPFEDSA-N 2 1 317.477 1.855 20 30 DDEDMP Cc1cc(NC[C@@H]2CC[N@@H+]2C)c(C#N)c(NC[C@@H]2CC[NH+]2C)n1 ZINC000895769942 711601453 /nfs/dbraw/zinc/60/14/53/711601453.db2.gz WNOMWGKSCYMXQP-KBPBESRZSA-N 2 1 314.437 1.494 20 30 DDEDMP Cc1cc(NC[C@@H]2CC[NH+]2C)c(C#N)c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895769942 711601454 /nfs/dbraw/zinc/60/14/54/711601454.db2.gz WNOMWGKSCYMXQP-KBPBESRZSA-N 2 1 314.437 1.494 20 30 DDEDMP Cc1cc(NC[C@@H]2CC[NH+]2C)c(C#N)c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895769942 711601455 /nfs/dbraw/zinc/60/14/55/711601455.db2.gz WNOMWGKSCYMXQP-KBPBESRZSA-N 2 1 314.437 1.494 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000963947747 717953467 /nfs/dbraw/zinc/95/34/67/717953467.db2.gz UKBGWBAJJSSIBW-CRIYYSNOSA-N 2 1 312.417 1.411 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000964168133 718016533 /nfs/dbraw/zinc/01/65/33/718016533.db2.gz OXDZMVZCQLCBTN-APUKJBRXSA-N 2 1 317.477 1.757 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC000960330933 716493728 /nfs/dbraw/zinc/49/37/28/716493728.db2.gz WTWBICBFOIQUTF-SJLPKXTDSA-N 2 1 310.401 1.749 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961224646 716869158 /nfs/dbraw/zinc/86/91/58/716869158.db2.gz YPNSSEBERSPMGL-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961455625 716953510 /nfs/dbraw/zinc/95/35/10/716953510.db2.gz FAVVVBDWJXIONL-WDNDVIMCSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000961455625 716953513 /nfs/dbraw/zinc/95/35/13/716953513.db2.gz FAVVVBDWJXIONL-WDNDVIMCSA-N 2 1 311.857 1.660 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940942112 717041120 /nfs/dbraw/zinc/04/11/20/717041120.db2.gz AZHCXUHPODRYEB-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961962446 717262001 /nfs/dbraw/zinc/26/20/01/717262001.db2.gz SRNBGQLNIOOPIP-MWDXBVQZSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943290461 718069530 /nfs/dbraw/zinc/06/95/30/718069530.db2.gz YASAAEJVIFNFLD-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943290461 718069534 /nfs/dbraw/zinc/06/95/34/718069534.db2.gz YASAAEJVIFNFLD-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944169717 718265307 /nfs/dbraw/zinc/26/53/07/718265307.db2.gz QHIXCJVLDAJIOW-HIFRSBDPSA-N 2 1 300.406 1.221 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946809154 718916130 /nfs/dbraw/zinc/91/61/30/718916130.db2.gz XCGGDIPDWSLJRR-HDICACEKSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948270304 719425670 /nfs/dbraw/zinc/42/56/70/719425670.db2.gz YENJQHOPBPUALM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948270304 719425674 /nfs/dbraw/zinc/42/56/74/719425674.db2.gz YENJQHOPBPUALM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948270304 719425680 /nfs/dbraw/zinc/42/56/80/719425680.db2.gz YENJQHOPBPUALM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948270304 719425685 /nfs/dbraw/zinc/42/56/85/719425685.db2.gz YENJQHOPBPUALM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968858688 719827758 /nfs/dbraw/zinc/82/77/58/719827758.db2.gz ITRLIDQXJMOEBD-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969001906 719919437 /nfs/dbraw/zinc/91/94/37/719919437.db2.gz HMETWWFINQIBED-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969001906 719919438 /nfs/dbraw/zinc/91/94/38/719919438.db2.gz HMETWWFINQIBED-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969001906 719919439 /nfs/dbraw/zinc/91/94/39/719919439.db2.gz HMETWWFINQIBED-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000949472949 720111277 /nfs/dbraw/zinc/11/12/77/720111277.db2.gz NTPHDASQPPXBCS-QGZVFWFLSA-N 2 1 305.466 1.971 20 30 DDEDMP Cc1ccc(CC#N)c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)[nH+]1 ZINC001164735481 720526757 /nfs/dbraw/zinc/52/67/57/720526757.db2.gz YOPLQEDQTNUIAH-HNNXBMFYSA-N 2 1 324.432 1.851 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000970911529 720983166 /nfs/dbraw/zinc/98/31/66/720983166.db2.gz VLXKCVWPRGIWKV-GOEBONIOSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911529 720983169 /nfs/dbraw/zinc/98/31/69/720983169.db2.gz VLXKCVWPRGIWKV-GOEBONIOSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001027631138 738488344 /nfs/dbraw/zinc/48/83/44/738488344.db2.gz NWTGICZTWVHWFB-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001027631138 738488347 /nfs/dbraw/zinc/48/83/47/738488347.db2.gz NWTGICZTWVHWFB-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001039134778 732851217 /nfs/dbraw/zinc/85/12/17/732851217.db2.gz VIFPUHKSFZQGKJ-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001039134778 732851218 /nfs/dbraw/zinc/85/12/18/732851218.db2.gz VIFPUHKSFZQGKJ-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC)C2)CC1 ZINC001039134778 732851223 /nfs/dbraw/zinc/85/12/23/732851223.db2.gz VIFPUHKSFZQGKJ-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CC[NH+](CC)C2)CC1 ZINC001039134778 732851225 /nfs/dbraw/zinc/85/12/25/732851225.db2.gz VIFPUHKSFZQGKJ-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001098537185 733096107 /nfs/dbraw/zinc/09/61/07/733096107.db2.gz VKWBPWDEQQNHTQ-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104306335 733422112 /nfs/dbraw/zinc/42/21/12/733422112.db2.gz YRGLGPGORZRLBB-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C(C)C)C1 ZINC001104306335 733422114 /nfs/dbraw/zinc/42/21/14/733422114.db2.gz YRGLGPGORZRLBB-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666782 733422272 /nfs/dbraw/zinc/42/22/72/733422272.db2.gz XFFSZYZLMJEDJK-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001022278918 734466271 /nfs/dbraw/zinc/46/62/71/734466271.db2.gz RNQASTFVFTYPCV-BARDWOONSA-N 2 1 311.857 1.993 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001024517328 735895776 /nfs/dbraw/zinc/89/57/76/735895776.db2.gz SQKIVMPKVKBEEW-HOTGVXAUSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC001025630600 736796838 /nfs/dbraw/zinc/79/68/38/736796838.db2.gz UOGCLVHEECFZBN-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781486 736851673 /nfs/dbraw/zinc/85/16/73/736851673.db2.gz FXEMNYBVVJRASC-SMLCLMEVSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781486 736851675 /nfs/dbraw/zinc/85/16/75/736851675.db2.gz FXEMNYBVVJRASC-SMLCLMEVSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781486 736851677 /nfs/dbraw/zinc/85/16/77/736851677.db2.gz FXEMNYBVVJRASC-SMLCLMEVSA-N 2 1 303.450 1.483 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001026506866 737623801 /nfs/dbraw/zinc/62/38/01/737623801.db2.gz HDJMAOVPIFABFZ-YMAMQOFZSA-N 2 1 300.406 1.411 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028195100 739147092 /nfs/dbraw/zinc/14/70/92/739147092.db2.gz IZPWWXUQCMQDGK-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544986 739650470 /nfs/dbraw/zinc/65/04/70/739650470.db2.gz LYKUTAJZRPAREW-NVXWUHKLSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662784 739728223 /nfs/dbraw/zinc/72/82/23/739728223.db2.gz QJUNELNLOFZLPK-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662784 739728225 /nfs/dbraw/zinc/72/82/25/739728225.db2.gz QJUNELNLOFZLPK-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662784 739728227 /nfs/dbraw/zinc/72/82/27/739728227.db2.gz QJUNELNLOFZLPK-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998048498 751487269 /nfs/dbraw/zinc/48/72/69/751487269.db2.gz VZSHYFAGVOTBHZ-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998048498 751487273 /nfs/dbraw/zinc/48/72/73/751487273.db2.gz VZSHYFAGVOTBHZ-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000998048498 751487276 /nfs/dbraw/zinc/48/72/76/751487276.db2.gz VZSHYFAGVOTBHZ-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000998048498 751487278 /nfs/dbraw/zinc/48/72/78/751487278.db2.gz VZSHYFAGVOTBHZ-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799553 740056155 /nfs/dbraw/zinc/05/61/55/740056155.db2.gz CRBAIGIGCMTHNU-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799553 740056158 /nfs/dbraw/zinc/05/61/58/740056158.db2.gz CRBAIGIGCMTHNU-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001028811035 740070777 /nfs/dbraw/zinc/07/07/77/740070777.db2.gz GPSJHKJRFGJCCJ-ARFHVFGLSA-N 2 1 316.449 1.928 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870159 740125721 /nfs/dbraw/zinc/12/57/21/740125721.db2.gz LYWGIKYLHMNREY-QGZVFWFLSA-N 2 1 313.445 1.823 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001028934607 740186595 /nfs/dbraw/zinc/18/65/95/740186595.db2.gz JAULEBGEPWUELH-AWEZNQCLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934607 740186598 /nfs/dbraw/zinc/18/65/98/740186598.db2.gz JAULEBGEPWUELH-AWEZNQCLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934607 740186601 /nfs/dbraw/zinc/18/66/01/740186601.db2.gz JAULEBGEPWUELH-AWEZNQCLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813694 740659166 /nfs/dbraw/zinc/65/91/66/740659166.db2.gz VAFMBKDBZHBGSP-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813694 740659167 /nfs/dbraw/zinc/65/91/67/740659167.db2.gz VAFMBKDBZHBGSP-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813694 740659169 /nfs/dbraw/zinc/65/91/69/740659169.db2.gz VAFMBKDBZHBGSP-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087725896 740722801 /nfs/dbraw/zinc/72/28/01/740722801.db2.gz JIDOYIALDUAPHN-HYVNUMGLSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087725896 740722803 /nfs/dbraw/zinc/72/28/03/740722803.db2.gz JIDOYIALDUAPHN-HYVNUMGLSA-N 2 1 314.433 1.356 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087995190 740934802 /nfs/dbraw/zinc/93/48/02/740934802.db2.gz XYQVZIVVACFAPS-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087995190 740934803 /nfs/dbraw/zinc/93/48/03/740934803.db2.gz XYQVZIVVACFAPS-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087995190 740934805 /nfs/dbraw/zinc/93/48/05/740934805.db2.gz XYQVZIVVACFAPS-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170408 741083538 /nfs/dbraw/zinc/08/35/38/741083538.db2.gz QMVQXAMLDNYAAD-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170408 741083542 /nfs/dbraw/zinc/08/35/42/741083542.db2.gz QMVQXAMLDNYAAD-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170408 741083545 /nfs/dbraw/zinc/08/35/45/741083545.db2.gz QMVQXAMLDNYAAD-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001088329730 741393930 /nfs/dbraw/zinc/39/39/30/741393930.db2.gz FXVNQWSUVNCMPT-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153865 741646363 /nfs/dbraw/zinc/64/63/63/741646363.db2.gz RKUGBHRPBIWKNS-UHFFFAOYSA-N 2 1 320.437 1.270 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009328 743021755 /nfs/dbraw/zinc/02/17/55/743021755.db2.gz WLWQNOFSHIAZRV-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009328 743021764 /nfs/dbraw/zinc/02/17/64/743021764.db2.gz WLWQNOFSHIAZRV-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001182692301 743698997 /nfs/dbraw/zinc/69/89/97/743698997.db2.gz HNZAHZIQGIBMSF-LSDHHAIUSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120067 744164755 /nfs/dbraw/zinc/16/47/55/744164755.db2.gz ORQUABIEJYTOIE-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185683599 744266690 /nfs/dbraw/zinc/26/66/90/744266690.db2.gz YHDWVMLLNUTLSP-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001185707091 744281058 /nfs/dbraw/zinc/28/10/58/744281058.db2.gz XDUCOSVAJOFQPZ-QGZVFWFLSA-N 2 1 301.434 1.537 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001088922333 744370904 /nfs/dbraw/zinc/37/09/04/744370904.db2.gz FRNYYKXFISQYHM-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186362068 744384256 /nfs/dbraw/zinc/38/42/56/744384256.db2.gz FGCDJUPMNHSBHZ-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040705884 744591119 /nfs/dbraw/zinc/59/11/19/744591119.db2.gz MRVYUZSWMPSNOM-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992497521 744919776 /nfs/dbraw/zinc/91/97/76/744919776.db2.gz PFNQGEOVKUQARL-YQQAZPJKSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992497521 744919779 /nfs/dbraw/zinc/91/97/79/744919779.db2.gz PFNQGEOVKUQARL-YQQAZPJKSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992497521 744919781 /nfs/dbraw/zinc/91/97/81/744919781.db2.gz PFNQGEOVKUQARL-YQQAZPJKSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992497521 744919784 /nfs/dbraw/zinc/91/97/84/744919784.db2.gz PFNQGEOVKUQARL-YQQAZPJKSA-N 2 1 307.438 1.006 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084977 745107408 /nfs/dbraw/zinc/10/74/08/745107408.db2.gz VBHKHFBKRINILT-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084977 745107410 /nfs/dbraw/zinc/10/74/10/745107410.db2.gz VBHKHFBKRINILT-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084977 745107411 /nfs/dbraw/zinc/10/74/11/745107411.db2.gz VBHKHFBKRINILT-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC000992754492 745175752 /nfs/dbraw/zinc/17/57/52/745175752.db2.gz VSRZGBHTEXSSNJ-IXDOHACOSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190490896 745242885 /nfs/dbraw/zinc/24/28/85/745242885.db2.gz ACDKIKHDDCYDGH-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190490896 745242888 /nfs/dbraw/zinc/24/28/88/745242888.db2.gz ACDKIKHDDCYDGH-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190490896 745242891 /nfs/dbraw/zinc/24/28/91/745242891.db2.gz ACDKIKHDDCYDGH-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001191011242 745403776 /nfs/dbraw/zinc/40/37/76/745403776.db2.gz SFHPAEIZDRGQJX-HUUCEWRRSA-N 2 1 302.422 1.554 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189293 745712121 /nfs/dbraw/zinc/71/21/21/745712121.db2.gz CNNLZTYNIIHECF-JKSUJKDBSA-N 2 1 311.470 1.308 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354437 745764102 /nfs/dbraw/zinc/76/41/02/745764102.db2.gz LSOJLARIEAUOJP-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354437 745764110 /nfs/dbraw/zinc/76/41/10/745764110.db2.gz LSOJLARIEAUOJP-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917760 745928237 /nfs/dbraw/zinc/92/82/37/745928237.db2.gz SRMVGPDALOIDEE-IRXDYDNUSA-N 2 1 307.482 1.909 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106728983 745976747 /nfs/dbraw/zinc/97/67/47/745976747.db2.gz BODRLZGRXJCHLC-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500113 746114129 /nfs/dbraw/zinc/11/41/29/746114129.db2.gz PMGRLNOZKFBXKS-AWEZNQCLSA-N 2 1 300.406 1.317 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026763 746257576 /nfs/dbraw/zinc/25/75/76/746257576.db2.gz KNOKBVPSXLDFHI-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC=C)[C@@H]2C)CC1 ZINC000994500345 746696976 /nfs/dbraw/zinc/69/69/76/746696976.db2.gz RDWCHOGULGUXEB-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001003003895 746899036 /nfs/dbraw/zinc/89/90/36/746899036.db2.gz IJNXBQLTMWLPJV-OAHLLOKOSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1OC ZINC001198902323 747638896 /nfs/dbraw/zinc/63/88/96/747638896.db2.gz JSSQRCDMNVCZOE-CVEARBPZSA-N 2 1 317.433 1.416 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953663 747659621 /nfs/dbraw/zinc/65/96/21/747659621.db2.gz SKVPYDXHJCDZKV-INIZCTEOSA-N 2 1 317.433 1.417 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953663 747659623 /nfs/dbraw/zinc/65/96/23/747659623.db2.gz SKVPYDXHJCDZKV-INIZCTEOSA-N 2 1 317.433 1.417 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031975536 748336198 /nfs/dbraw/zinc/33/61/98/748336198.db2.gz UWPXBRPQBJJXGZ-OAHLLOKOSA-N 2 1 302.422 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001201094314 748408640 /nfs/dbraw/zinc/40/86/40/748408640.db2.gz QPDLXCYXFHDTQG-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](C)CC)CC1 ZINC001201094314 748408644 /nfs/dbraw/zinc/40/86/44/748408644.db2.gz QPDLXCYXFHDTQG-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230389 748437505 /nfs/dbraw/zinc/43/75/05/748437505.db2.gz OODBKSJXQMEKRK-ZMSDIMECSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230389 748437511 /nfs/dbraw/zinc/43/75/11/748437511.db2.gz OODBKSJXQMEKRK-ZMSDIMECSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004546083 748538998 /nfs/dbraw/zinc/53/89/98/748538998.db2.gz GETOHXFRDMZMBT-WMZOPIPTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004546083 748539001 /nfs/dbraw/zinc/53/90/01/748539001.db2.gz GETOHXFRDMZMBT-WMZOPIPTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151124 748618043 /nfs/dbraw/zinc/61/80/43/748618043.db2.gz IJEZBNDPMUWALI-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033151124 748618050 /nfs/dbraw/zinc/61/80/50/748618050.db2.gz IJEZBNDPMUWALI-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033151124 748618053 /nfs/dbraw/zinc/61/80/53/748618053.db2.gz IJEZBNDPMUWALI-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153514 748648152 /nfs/dbraw/zinc/64/81/52/748648152.db2.gz VVBYJKZBZSJGQR-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153514 748648154 /nfs/dbraw/zinc/64/81/54/748648154.db2.gz VVBYJKZBZSJGQR-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033206825 748920114 /nfs/dbraw/zinc/92/01/14/748920114.db2.gz JPGKWQTYLRUDLQ-LSDHHAIUSA-N 2 1 300.406 1.002 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033212911 748949185 /nfs/dbraw/zinc/94/91/85/748949185.db2.gz DZPLITDHEOTQGI-INIZCTEOSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099557238 749058346 /nfs/dbraw/zinc/05/83/46/749058346.db2.gz ZMAWDRPCWWIYII-MHORFTMASA-N 2 1 317.477 1.519 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099557238 749058352 /nfs/dbraw/zinc/05/83/52/749058352.db2.gz ZMAWDRPCWWIYII-MHORFTMASA-N 2 1 317.477 1.519 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001202538907 749291108 /nfs/dbraw/zinc/29/11/08/749291108.db2.gz FERNMLOOUXKDPF-UHFFFAOYSA-N 2 1 315.461 1.928 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995915701 749297173 /nfs/dbraw/zinc/29/71/73/749297173.db2.gz GHVOATXIRKNYTF-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001033684318 749713510 /nfs/dbraw/zinc/71/35/10/749713510.db2.gz MDTNBRUHDKHQLP-YCOJEUHLSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001033684318 749713515 /nfs/dbraw/zinc/71/35/15/749713515.db2.gz MDTNBRUHDKHQLP-YCOJEUHLSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001033686015 749715502 /nfs/dbraw/zinc/71/55/02/749715502.db2.gz YIRWSVCIEWPIIR-QGZVFWFLSA-N 2 1 303.450 1.440 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436580 749954599 /nfs/dbraw/zinc/95/45/99/749954599.db2.gz FFJGIGRTKLESOT-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095533799 750019854 /nfs/dbraw/zinc/01/98/54/750019854.db2.gz OAGLYIYVHNJYBW-MHORFTMASA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCCCC1 ZINC001115691342 750233033 /nfs/dbraw/zinc/23/30/33/750233033.db2.gz UKESLPGLJSZXEB-MRXNPFEDSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCCF)C2)CC1 ZINC001034538529 750541553 /nfs/dbraw/zinc/54/15/53/750541553.db2.gz OOUUWMPJJNIRER-KRWDZBQOSA-N 2 1 323.456 1.662 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001034754115 750806195 /nfs/dbraw/zinc/80/61/95/750806195.db2.gz SGHKRVFEUJUWGI-QAETUUGQSA-N 2 1 303.450 1.654 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997434963 750914138 /nfs/dbraw/zinc/91/41/38/750914138.db2.gz RMPPFNFESBAFNU-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035194118 751293100 /nfs/dbraw/zinc/29/31/00/751293100.db2.gz VHWZPOYDKIEZCV-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035225958 751303402 /nfs/dbraw/zinc/30/34/02/751303402.db2.gz CQCKRWZAWHFGNX-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035225958 751303403 /nfs/dbraw/zinc/30/34/03/751303403.db2.gz CQCKRWZAWHFGNX-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)(C)C1)CC2 ZINC001035225958 751303408 /nfs/dbraw/zinc/30/34/08/751303408.db2.gz CQCKRWZAWHFGNX-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035258348 751336023 /nfs/dbraw/zinc/33/60/23/751336023.db2.gz MUYNJZQQAGQJAK-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035258348 751336030 /nfs/dbraw/zinc/33/60/30/751336030.db2.gz MUYNJZQQAGQJAK-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035258348 751336036 /nfs/dbraw/zinc/33/60/36/751336036.db2.gz MUYNJZQQAGQJAK-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008054264 752522954 /nfs/dbraw/zinc/52/29/54/752522954.db2.gz XZULGIOIAFFNCP-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008054264 752522961 /nfs/dbraw/zinc/52/29/61/752522961.db2.gz XZULGIOIAFFNCP-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284097 752652602 /nfs/dbraw/zinc/65/26/02/752652602.db2.gz XPVKVMZGAGVFBS-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284097 752652609 /nfs/dbraw/zinc/65/26/09/752652609.db2.gz XPVKVMZGAGVFBS-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284097 752652615 /nfs/dbraw/zinc/65/26/15/752652615.db2.gz XPVKVMZGAGVFBS-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284097 752652619 /nfs/dbraw/zinc/65/26/19/752652619.db2.gz XPVKVMZGAGVFBS-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284012 752653142 /nfs/dbraw/zinc/65/31/42/752653142.db2.gz XEFSSUIRBUGBJT-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284012 752653153 /nfs/dbraw/zinc/65/31/53/752653153.db2.gz XEFSSUIRBUGBJT-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284012 752653157 /nfs/dbraw/zinc/65/31/57/752653157.db2.gz XEFSSUIRBUGBJT-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284012 752653161 /nfs/dbraw/zinc/65/31/61/752653161.db2.gz XEFSSUIRBUGBJT-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008881493 752959644 /nfs/dbraw/zinc/95/96/44/752959644.db2.gz MDMIBHCHAQVLPN-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008881493 752959651 /nfs/dbraw/zinc/95/96/51/752959651.db2.gz MDMIBHCHAQVLPN-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009054376 753050975 /nfs/dbraw/zinc/05/09/75/753050975.db2.gz ZGGVFKUISLRKLO-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009054376 753050976 /nfs/dbraw/zinc/05/09/76/753050976.db2.gz ZGGVFKUISLRKLO-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000776561 762189024 /nfs/dbraw/zinc/18/90/24/762189024.db2.gz LCFNROCVMAULDZ-SFHVURJKSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001000776561 762189028 /nfs/dbraw/zinc/18/90/28/762189028.db2.gz LCFNROCVMAULDZ-SFHVURJKSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001000776561 762189031 /nfs/dbraw/zinc/18/90/31/762189031.db2.gz LCFNROCVMAULDZ-SFHVURJKSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001009629199 753289146 /nfs/dbraw/zinc/28/91/46/753289146.db2.gz ROCHQGFEQAWICC-IRXDYDNUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001009629199 753289148 /nfs/dbraw/zinc/28/91/48/753289148.db2.gz ROCHQGFEQAWICC-IRXDYDNUSA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001108007062 753493459 /nfs/dbraw/zinc/49/34/59/753493459.db2.gz LKUXUSKLHBUEGW-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108007062 753493462 /nfs/dbraw/zinc/49/34/62/753493462.db2.gz LKUXUSKLHBUEGW-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007062 753493468 /nfs/dbraw/zinc/49/34/68/753493468.db2.gz LKUXUSKLHBUEGW-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007062 753493471 /nfs/dbraw/zinc/49/34/71/753493471.db2.gz LKUXUSKLHBUEGW-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CN1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108034549 753914831 /nfs/dbraw/zinc/91/48/31/753914831.db2.gz ZKIXDVKPHGGGSH-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108034549 753914837 /nfs/dbraw/zinc/91/48/37/753914837.db2.gz ZKIXDVKPHGGGSH-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108034549 753914840 /nfs/dbraw/zinc/91/48/40/753914840.db2.gz ZKIXDVKPHGGGSH-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108034549 753914844 /nfs/dbraw/zinc/91/48/44/753914844.db2.gz ZKIXDVKPHGGGSH-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726213 754321335 /nfs/dbraw/zinc/32/13/35/754321335.db2.gz RJRUCGNPKREIGV-LSDHHAIUSA-N 2 1 303.450 1.369 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001531314 754381733 /nfs/dbraw/zinc/38/17/33/754381733.db2.gz DXTGILABSCTYRQ-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001531314 754381739 /nfs/dbraw/zinc/38/17/39/754381739.db2.gz DXTGILABSCTYRQ-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NCc1ncn2c1C[NH2+]CCC2 ZINC001169240714 762305618 /nfs/dbraw/zinc/30/56/18/762305618.db2.gz NBKGAOYKORZXNW-UHFFFAOYSA-N 2 1 323.404 1.919 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015595664 756397275 /nfs/dbraw/zinc/39/72/75/756397275.db2.gz CUINANXMKCLLCO-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015595664 756397279 /nfs/dbraw/zinc/39/72/79/756397279.db2.gz CUINANXMKCLLCO-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015595664 756397285 /nfs/dbraw/zinc/39/72/85/756397285.db2.gz CUINANXMKCLLCO-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015595664 756397291 /nfs/dbraw/zinc/39/72/91/756397291.db2.gz CUINANXMKCLLCO-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097431129 757179219 /nfs/dbraw/zinc/17/92/19/757179219.db2.gz YRSCFAYSEAJKSC-OAGGEKHMSA-N 2 1 301.434 1.360 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016791299 757356089 /nfs/dbraw/zinc/35/60/89/757356089.db2.gz MATKPEPTUDZNLJ-HZPDHXFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016791299 757356103 /nfs/dbraw/zinc/35/61/03/757356103.db2.gz MATKPEPTUDZNLJ-HZPDHXFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406110 757564962 /nfs/dbraw/zinc/56/49/62/757564962.db2.gz GPRJUGJJAGFMGO-OWCLPIDISA-N 2 1 312.417 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406110 757564966 /nfs/dbraw/zinc/56/49/66/757564966.db2.gz GPRJUGJJAGFMGO-OWCLPIDISA-N 2 1 312.417 1.317 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609544 757707133 /nfs/dbraw/zinc/70/71/33/757707133.db2.gz IMLXYBIMGUMUPO-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609544 757707140 /nfs/dbraw/zinc/70/71/40/757707140.db2.gz IMLXYBIMGUMUPO-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609544 757707145 /nfs/dbraw/zinc/70/71/45/757707145.db2.gz IMLXYBIMGUMUPO-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978107 758119855 /nfs/dbraw/zinc/11/98/55/758119855.db2.gz XMEQSZRRFGVAEQ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978107 758119862 /nfs/dbraw/zinc/11/98/62/758119862.db2.gz XMEQSZRRFGVAEQ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978107 758119871 /nfs/dbraw/zinc/11/98/71/758119871.db2.gz XMEQSZRRFGVAEQ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040653787 762638752 /nfs/dbraw/zinc/63/87/52/762638752.db2.gz ZHOMAYHGVIDSQT-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040653787 762638758 /nfs/dbraw/zinc/63/87/58/762638758.db2.gz ZHOMAYHGVIDSQT-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085229593 759177403 /nfs/dbraw/zinc/17/74/03/759177403.db2.gz AEELHFLVYQJBDD-KURKYZTESA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CCC1 ZINC001085229593 759177408 /nfs/dbraw/zinc/17/74/08/759177408.db2.gz AEELHFLVYQJBDD-KURKYZTESA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145886 759224912 /nfs/dbraw/zinc/22/49/12/759224912.db2.gz ZGFPUJRMYCSCSY-SJLPKXTDSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054239032 759328696 /nfs/dbraw/zinc/32/86/96/759328696.db2.gz DCTMQOQEULBOEW-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240764 759329975 /nfs/dbraw/zinc/32/99/75/759329975.db2.gz BMFJUCPJUUTXHO-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240764 759329982 /nfs/dbraw/zinc/32/99/82/759329982.db2.gz BMFJUCPJUUTXHO-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085638799 759908854 /nfs/dbraw/zinc/90/88/54/759908854.db2.gz AJUUQKYIEXYVAM-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085638799 759908860 /nfs/dbraw/zinc/90/88/60/759908860.db2.gz AJUUQKYIEXYVAM-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085638799 759908862 /nfs/dbraw/zinc/90/88/62/759908862.db2.gz AJUUQKYIEXYVAM-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639482 759910813 /nfs/dbraw/zinc/91/08/13/759910813.db2.gz PPQGIGDWZBPUFO-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639482 759910817 /nfs/dbraw/zinc/91/08/17/759910817.db2.gz PPQGIGDWZBPUFO-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639482 759910820 /nfs/dbraw/zinc/91/08/20/759910820.db2.gz PPQGIGDWZBPUFO-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639482 759910824 /nfs/dbraw/zinc/91/08/24/759910824.db2.gz PPQGIGDWZBPUFO-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207744 760132750 /nfs/dbraw/zinc/13/27/50/760132750.db2.gz QWUPYABWLHOSIF-AEFFLSMTSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207744 760132755 /nfs/dbraw/zinc/13/27/55/760132755.db2.gz QWUPYABWLHOSIF-AEFFLSMTSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817360 760297532 /nfs/dbraw/zinc/29/75/32/760297532.db2.gz WEJJCJYYZZWROI-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817360 760297539 /nfs/dbraw/zinc/29/75/39/760297539.db2.gz WEJJCJYYZZWROI-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCC2)CC1 ZINC001039042296 761682795 /nfs/dbraw/zinc/68/27/95/761682795.db2.gz PIUNALGUOLKTMD-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039134263 761768970 /nfs/dbraw/zinc/76/89/70/761768970.db2.gz OCVFWQZRWKFAGA-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134263 761768972 /nfs/dbraw/zinc/76/89/72/761768972.db2.gz OCVFWQZRWKFAGA-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134263 761768973 /nfs/dbraw/zinc/76/89/73/761768973.db2.gz OCVFWQZRWKFAGA-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001040939910 762739268 /nfs/dbraw/zinc/73/92/68/762739268.db2.gz XOTFNFKFQBVYOY-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001001479399 762902353 /nfs/dbraw/zinc/90/23/53/762902353.db2.gz MRPVMVCUMFEFOR-INIZCTEOSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537286 763115708 /nfs/dbraw/zinc/11/57/08/763115708.db2.gz WETWPMIQKFDXKV-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041672590 763213731 /nfs/dbraw/zinc/21/37/31/763213731.db2.gz QWQNOUKJYBBCGU-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164920 763246704 /nfs/dbraw/zinc/24/67/04/763246704.db2.gz PABMEBXUPZTGFQ-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164920 763246709 /nfs/dbraw/zinc/24/67/09/763246709.db2.gz PABMEBXUPZTGFQ-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844540 763401719 /nfs/dbraw/zinc/40/17/19/763401719.db2.gz KHLHRGWCTXHLRH-SFHVURJKSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169991635 763544248 /nfs/dbraw/zinc/54/42/48/763544248.db2.gz PFNJGLFDBHZSMS-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169991635 763544256 /nfs/dbraw/zinc/54/42/56/763544256.db2.gz PFNJGLFDBHZSMS-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001050549824 763743518 /nfs/dbraw/zinc/74/35/18/763743518.db2.gz DLAUEDWGTATVMS-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC1)CC2 ZINC001050549824 763743524 /nfs/dbraw/zinc/74/35/24/763743524.db2.gz DLAUEDWGTATVMS-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042367669 763970685 /nfs/dbraw/zinc/97/06/85/763970685.db2.gz JWKDTUOGKJDNOA-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131693540 768277200 /nfs/dbraw/zinc/27/72/00/768277200.db2.gz QILVUTSVWVWAFV-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131693540 768277204 /nfs/dbraw/zinc/27/72/04/768277204.db2.gz QILVUTSVWVWAFV-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131693540 768277207 /nfs/dbraw/zinc/27/72/07/768277207.db2.gz QILVUTSVWVWAFV-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052438488 765828066 /nfs/dbraw/zinc/82/80/66/765828066.db2.gz UDDSPIZGIHDCKZ-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052438488 765828073 /nfs/dbraw/zinc/82/80/73/765828073.db2.gz UDDSPIZGIHDCKZ-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052438488 765828080 /nfs/dbraw/zinc/82/80/80/765828080.db2.gz UDDSPIZGIHDCKZ-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590417 765977583 /nfs/dbraw/zinc/97/75/83/765977583.db2.gz AMVQJCMSJGIESH-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045437503 766305628 /nfs/dbraw/zinc/30/56/28/766305628.db2.gz APJXTMXNIMVGAY-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001045438913 766307104 /nfs/dbraw/zinc/30/71/04/766307104.db2.gz WVVHLTKXMLGXOX-INIZCTEOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCF)CC1 ZINC001045895216 766674249 /nfs/dbraw/zinc/67/42/49/766674249.db2.gz AYUNPDWYHFOBID-SJORKVTESA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001129774802 766999492 /nfs/dbraw/zinc/99/94/92/766999492.db2.gz GIDFKPZXIYYEAI-OPUMOTSWSA-N 2 1 311.429 1.503 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C/C=C/c1ccccc1 ZINC001129774802 766999498 /nfs/dbraw/zinc/99/94/98/766999498.db2.gz GIDFKPZXIYYEAI-OPUMOTSWSA-N 2 1 311.429 1.503 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407972 768457253 /nfs/dbraw/zinc/45/72/53/768457253.db2.gz RBDDPUDAEDPLJN-ULQDDVLXSA-N 2 1 323.481 1.044 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407972 768457257 /nfs/dbraw/zinc/45/72/57/768457257.db2.gz RBDDPUDAEDPLJN-ULQDDVLXSA-N 2 1 323.481 1.044 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407972 768457259 /nfs/dbraw/zinc/45/72/59/768457259.db2.gz RBDDPUDAEDPLJN-ULQDDVLXSA-N 2 1 323.481 1.044 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426301 768842710 /nfs/dbraw/zinc/84/27/10/768842710.db2.gz VKKGNJFADZCAHH-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133005066 769398099 /nfs/dbraw/zinc/39/80/99/769398099.db2.gz UPLLMIFEUCALAX-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048814947 769934405 /nfs/dbraw/zinc/93/44/05/769934405.db2.gz GFVGPNNNHYDHSN-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048814947 769934411 /nfs/dbraw/zinc/93/44/11/769934411.db2.gz GFVGPNNNHYDHSN-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048814947 769934417 /nfs/dbraw/zinc/93/44/17/769934417.db2.gz GFVGPNNNHYDHSN-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCN1C[C@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001071775891 770047798 /nfs/dbraw/zinc/04/77/98/770047798.db2.gz JOIDKPAEFNWIOF-DZGCQCFKSA-N 2 1 303.406 1.557 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048888307 770056780 /nfs/dbraw/zinc/05/67/80/770056780.db2.gz NDOWSCSRXWTDKS-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@H]2C1 ZINC001048888307 770056792 /nfs/dbraw/zinc/05/67/92/770056792.db2.gz NDOWSCSRXWTDKS-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@H]2C1 ZINC001048888307 770056803 /nfs/dbraw/zinc/05/68/03/770056803.db2.gz NDOWSCSRXWTDKS-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048894979 770068712 /nfs/dbraw/zinc/06/87/12/770068712.db2.gz KJJCVRNEMSZCGV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048894979 770068720 /nfs/dbraw/zinc/06/87/20/770068720.db2.gz KJJCVRNEMSZCGV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048894979 770068728 /nfs/dbraw/zinc/06/87/28/770068728.db2.gz KJJCVRNEMSZCGV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071931208 770303605 /nfs/dbraw/zinc/30/36/05/770303605.db2.gz QMJMFFPPXQCISW-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049627980 771031657 /nfs/dbraw/zinc/03/16/57/771031657.db2.gz DDEAZHTZSILUGJ-DLBZAZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716856 771109543 /nfs/dbraw/zinc/10/95/43/771109543.db2.gz GYBMMIFRYZDCPP-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716856 771109544 /nfs/dbraw/zinc/10/95/44/771109544.db2.gz GYBMMIFRYZDCPP-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716856 771109546 /nfs/dbraw/zinc/10/95/46/771109546.db2.gz GYBMMIFRYZDCPP-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846889 771204439 /nfs/dbraw/zinc/20/44/39/771204439.db2.gz OCWKJQUZTFXHSD-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049902481 771246314 /nfs/dbraw/zinc/24/63/14/771246314.db2.gz ASRNKAJXFAVHTP-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049902481 771246318 /nfs/dbraw/zinc/24/63/18/771246318.db2.gz ASRNKAJXFAVHTP-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902481 771246323 /nfs/dbraw/zinc/24/63/23/771246323.db2.gz ASRNKAJXFAVHTP-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902481 771246325 /nfs/dbraw/zinc/24/63/25/771246325.db2.gz ASRNKAJXFAVHTP-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085260 771616832 /nfs/dbraw/zinc/61/68/32/771616832.db2.gz AUJGYEFJTCXQEO-TWMKSMIVSA-N 2 1 301.434 1.073 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691505 772113510 /nfs/dbraw/zinc/11/35/10/772113510.db2.gz FULHDTHAOFJKPC-IRXDYDNUSA-N 2 1 323.481 1.234 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001171216863 772609108 /nfs/dbraw/zinc/60/91/08/772609108.db2.gz KAFHRNUNXZCITG-QGZVFWFLSA-N 2 1 314.433 1.496 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627205 773235732 /nfs/dbraw/zinc/23/57/32/773235732.db2.gz HUFIDHKWYLDUKB-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627205 773235735 /nfs/dbraw/zinc/23/57/35/773235735.db2.gz HUFIDHKWYLDUKB-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627205 773235739 /nfs/dbraw/zinc/23/57/39/773235739.db2.gz HUFIDHKWYLDUKB-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627499 773237150 /nfs/dbraw/zinc/23/71/50/773237150.db2.gz XEWFIHFACMOATR-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627499 773237154 /nfs/dbraw/zinc/23/71/54/773237154.db2.gz XEWFIHFACMOATR-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627499 773237156 /nfs/dbraw/zinc/23/71/56/773237156.db2.gz XEWFIHFACMOATR-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001147842899 773266801 /nfs/dbraw/zinc/26/68/01/773266801.db2.gz DDHMZPZZSNKXLW-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001110126435 773903578 /nfs/dbraw/zinc/90/35/78/773903578.db2.gz UODBRSCOKOZGAL-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001110126435 773903583 /nfs/dbraw/zinc/90/35/83/773903583.db2.gz UODBRSCOKOZGAL-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001110126435 773903588 /nfs/dbraw/zinc/90/35/88/773903588.db2.gz UODBRSCOKOZGAL-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001110126435 773903595 /nfs/dbraw/zinc/90/35/95/773903595.db2.gz UODBRSCOKOZGAL-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092199938 774002431 /nfs/dbraw/zinc/00/24/31/774002431.db2.gz WTYGWWYAYMZXEQ-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092199938 774002434 /nfs/dbraw/zinc/00/24/34/774002434.db2.gz WTYGWWYAYMZXEQ-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092199938 774002439 /nfs/dbraw/zinc/00/24/39/774002439.db2.gz WTYGWWYAYMZXEQ-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036756815 774483427 /nfs/dbraw/zinc/48/34/27/774483427.db2.gz SMUNZROLBXSHQP-BBRMVZONSA-N 2 1 318.421 1.459 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036756815 774483428 /nfs/dbraw/zinc/48/34/28/774483428.db2.gz SMUNZROLBXSHQP-BBRMVZONSA-N 2 1 318.421 1.459 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001098960488 774740142 /nfs/dbraw/zinc/74/01/42/774740142.db2.gz XSJDUMWLCKOBSU-LNLFQRSKSA-N 2 1 315.461 1.465 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107145 774837388 /nfs/dbraw/zinc/83/73/88/774837388.db2.gz VXIRQGFZNLPUIT-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)COCC[NH+](C)C ZINC001099310633 774941439 /nfs/dbraw/zinc/94/14/39/774941439.db2.gz RNQFTEXCKGVXFV-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001101594468 777286345 /nfs/dbraw/zinc/28/63/45/777286345.db2.gz DJROSOAZNUOOEK-INIZCTEOSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108272 777878547 /nfs/dbraw/zinc/87/85/47/777878547.db2.gz DODDVEQWMUYIGO-HZPDHXFCSA-N 2 1 316.449 1.778 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480132 778162757 /nfs/dbraw/zinc/16/27/57/778162757.db2.gz YNDIHUPMZLIXLL-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176685600 778211339 /nfs/dbraw/zinc/21/13/39/778211339.db2.gz GEBLFEBFBAPHHR-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176685600 778211342 /nfs/dbraw/zinc/21/13/42/778211342.db2.gz GEBLFEBFBAPHHR-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150723404 778654641 /nfs/dbraw/zinc/65/46/41/778654641.db2.gz KQFGZLAWFINIKT-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150723404 778654643 /nfs/dbraw/zinc/65/46/43/778654643.db2.gz KQFGZLAWFINIKT-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537118 778930898 /nfs/dbraw/zinc/93/08/98/778930898.db2.gz TVQQCTXPJSTKQJ-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537118 778930903 /nfs/dbraw/zinc/93/09/03/778930903.db2.gz TVQQCTXPJSTKQJ-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924615 779539959 /nfs/dbraw/zinc/53/99/59/779539959.db2.gz ATFSJOLBQKZPCI-XHSDSOJGSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182937 779640216 /nfs/dbraw/zinc/64/02/16/779640216.db2.gz VETBSPKYSRGKJR-HRCADAONSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182937 779640218 /nfs/dbraw/zinc/64/02/18/779640218.db2.gz VETBSPKYSRGKJR-HRCADAONSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C)CCCCC1 ZINC001115577704 780246375 /nfs/dbraw/zinc/24/63/75/780246375.db2.gz DSUNRIFWYYKICA-INIZCTEOSA-N 2 1 303.450 1.679 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C)CCCCC1 ZINC001115577704 780246377 /nfs/dbraw/zinc/24/63/77/780246377.db2.gz DSUNRIFWYYKICA-INIZCTEOSA-N 2 1 303.450 1.679 20 30 DDEDMP CC[C@@H](C(=O)NCCC1=CC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001161231415 780545592 /nfs/dbraw/zinc/54/55/92/780545592.db2.gz XBMSQECQLZIRCH-KRWDZBQOSA-N 2 1 321.465 1.115 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001266469960 836309136 /nfs/dbraw/zinc/30/91/36/836309136.db2.gz WZJCEBUUBLLTKY-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266562179 836472636 /nfs/dbraw/zinc/47/26/36/836472636.db2.gz PJXMKEPKRJDPOY-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=C)C)C1 ZINC001266792889 836843587 /nfs/dbraw/zinc/84/35/87/836843587.db2.gz FGFDETBQECCDMR-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=C)C)C1 ZINC001266792889 836843591 /nfs/dbraw/zinc/84/35/91/836843591.db2.gz FGFDETBQECCDMR-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268000773 839352330 /nfs/dbraw/zinc/35/23/30/839352330.db2.gz PDKDCJZKJABDOP-NVXWUHKLSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001269403269 841606446 /nfs/dbraw/zinc/60/64/46/841606446.db2.gz UTUOATAOASSCDI-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001269553571 841759876 /nfs/dbraw/zinc/75/98/76/841759876.db2.gz WEIOEVPKJYXPQY-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCF)CC1 ZINC001270295583 842463704 /nfs/dbraw/zinc/46/37/04/842463704.db2.gz CTMJLELEDBIYNL-INIZCTEOSA-N 2 1 309.429 1.366 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001270599497 842707580 /nfs/dbraw/zinc/70/75/80/842707580.db2.gz HTKQOJUYNLHTEB-YJBOKZPZSA-N 2 1 316.449 1.992 20 30 DDEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001271008532 843130572 /nfs/dbraw/zinc/13/05/72/843130572.db2.gz ZOIQGLFHFYHCKJ-GOSISDBHSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001271043306 843158549 /nfs/dbraw/zinc/15/85/49/843158549.db2.gz ABGXBNLLUPJSMP-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001326666441 861524434 /nfs/dbraw/zinc/52/44/34/861524434.db2.gz DNPQSOHUKMBGBE-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001326666441 861524444 /nfs/dbraw/zinc/52/44/44/861524444.db2.gz DNPQSOHUKMBGBE-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001326666441 861524451 /nfs/dbraw/zinc/52/44/51/861524451.db2.gz DNPQSOHUKMBGBE-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001326666441 861524462 /nfs/dbraw/zinc/52/44/62/861524462.db2.gz DNPQSOHUKMBGBE-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001409612114 845418931 /nfs/dbraw/zinc/41/89/31/845418931.db2.gz CBHLEBVRUJEKGL-DOMZBBRYSA-N 2 1 322.478 1.896 20 30 DDEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001409612114 845418933 /nfs/dbraw/zinc/41/89/33/845418933.db2.gz CBHLEBVRUJEKGL-DOMZBBRYSA-N 2 1 322.478 1.896 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001409678607 845556681 /nfs/dbraw/zinc/55/66/81/845556681.db2.gz DEAJUGJIBNDVAQ-OAHLLOKOSA-N 2 1 316.449 1.835 20 30 DDEDMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001409678607 845556693 /nfs/dbraw/zinc/55/66/93/845556693.db2.gz DEAJUGJIBNDVAQ-OAHLLOKOSA-N 2 1 316.449 1.835 20 30 DDEDMP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001409678607 845556700 /nfs/dbraw/zinc/55/67/00/845556700.db2.gz DEAJUGJIBNDVAQ-OAHLLOKOSA-N 2 1 316.449 1.835 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001272533723 846281791 /nfs/dbraw/zinc/28/17/91/846281791.db2.gz IUSOLSJJEBCRLD-ZWKOTPCHSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155084682 861713546 /nfs/dbraw/zinc/71/35/46/861713546.db2.gz DXZOISNYXJXOJO-HZPDHXFCSA-N 2 1 313.486 1.602 20 30 DDEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997000805 847103455 /nfs/dbraw/zinc/10/34/55/847103455.db2.gz WZNNFADHGDMGIT-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997000805 847103463 /nfs/dbraw/zinc/10/34/63/847103463.db2.gz WZNNFADHGDMGIT-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272887856 847591901 /nfs/dbraw/zinc/59/19/01/847591901.db2.gz LJSWNMLFIVPZID-SFHVURJKSA-N 2 1 319.449 1.355 20 30 DDEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001273018284 847790994 /nfs/dbraw/zinc/79/09/94/847790994.db2.gz IGCKOQVOTPTPRH-CYBMUJFWSA-N 2 1 304.394 1.002 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149714895 861843313 /nfs/dbraw/zinc/84/33/13/861843313.db2.gz LDRVNOAXQPFFKE-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145958 848578186 /nfs/dbraw/zinc/57/81/86/848578186.db2.gz ZTTQJCMPOAWNHD-AEFFLSMTSA-N 2 1 318.465 1.556 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145958 848578193 /nfs/dbraw/zinc/57/81/93/848578193.db2.gz ZTTQJCMPOAWNHD-AEFFLSMTSA-N 2 1 318.465 1.556 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145958 848578199 /nfs/dbraw/zinc/57/81/99/848578199.db2.gz ZTTQJCMPOAWNHD-AEFFLSMTSA-N 2 1 318.465 1.556 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001273154788 848589955 /nfs/dbraw/zinc/58/99/55/848589955.db2.gz RPRRGMQAQNRXTD-GOSISDBHSA-N 2 1 323.456 1.851 20 30 DDEDMP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001327189267 861954235 /nfs/dbraw/zinc/95/42/35/861954235.db2.gz QFYQQEIQDTXVLA-HZPDHXFCSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001327189267 861954246 /nfs/dbraw/zinc/95/42/46/861954246.db2.gz QFYQQEIQDTXVLA-HZPDHXFCSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001327189267 861954253 /nfs/dbraw/zinc/95/42/53/861954253.db2.gz QFYQQEIQDTXVLA-HZPDHXFCSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001327189267 861954269 /nfs/dbraw/zinc/95/42/69/861954269.db2.gz QFYQQEIQDTXVLA-HZPDHXFCSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149982317 862007997 /nfs/dbraw/zinc/00/79/97/862007997.db2.gz HUUQZAWMQKRWPI-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149982317 862008005 /nfs/dbraw/zinc/00/80/05/862008005.db2.gz HUUQZAWMQKRWPI-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001327404265 862144153 /nfs/dbraw/zinc/14/41/53/862144153.db2.gz FNISBBLNLMASRZ-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001327404265 862144175 /nfs/dbraw/zinc/14/41/75/862144175.db2.gz FNISBBLNLMASRZ-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001325053288 850801727 /nfs/dbraw/zinc/80/17/27/850801727.db2.gz IDKLQJSQISCSTF-ZDUSSCGKSA-N 2 1 303.397 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325053288 850801735 /nfs/dbraw/zinc/80/17/35/850801735.db2.gz IDKLQJSQISCSTF-ZDUSSCGKSA-N 2 1 303.397 1.588 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325053288 850801747 /nfs/dbraw/zinc/80/17/47/850801747.db2.gz IDKLQJSQISCSTF-ZDUSSCGKSA-N 2 1 303.397 1.588 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150589518 862335439 /nfs/dbraw/zinc/33/54/39/862335439.db2.gz UTBLZSRYFRXZJL-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150589518 862335460 /nfs/dbraw/zinc/33/54/60/862335460.db2.gz UTBLZSRYFRXZJL-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150589518 862335479 /nfs/dbraw/zinc/33/54/79/862335479.db2.gz UTBLZSRYFRXZJL-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001275120632 852820486 /nfs/dbraw/zinc/82/04/86/852820486.db2.gz GOSBWUUBIZKAEL-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275120632 852820487 /nfs/dbraw/zinc/82/04/87/852820487.db2.gz GOSBWUUBIZKAEL-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001275120632 852820490 /nfs/dbraw/zinc/82/04/90/852820490.db2.gz GOSBWUUBIZKAEL-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001275150904 852842521 /nfs/dbraw/zinc/84/25/21/852842521.db2.gz PZXZXUPULMULSJ-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001275150904 852842530 /nfs/dbraw/zinc/84/25/30/852842530.db2.gz PZXZXUPULMULSJ-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001275184203 852873985 /nfs/dbraw/zinc/87/39/85/852873985.db2.gz MJDLGJGKCRAWPB-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593868 857030906 /nfs/dbraw/zinc/03/09/06/857030906.db2.gz ICAYPQHZTXPMRS-HOTGVXAUSA-N 2 1 300.406 1.280 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593868 857030915 /nfs/dbraw/zinc/03/09/15/857030915.db2.gz ICAYPQHZTXPMRS-HOTGVXAUSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596181 857034883 /nfs/dbraw/zinc/03/48/83/857034883.db2.gz SKYKYYBILZEZAG-HZPDHXFCSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596181 857034892 /nfs/dbraw/zinc/03/48/92/857034892.db2.gz SKYKYYBILZEZAG-HZPDHXFCSA-N 2 1 300.406 1.280 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072981508 857964194 /nfs/dbraw/zinc/96/41/94/857964194.db2.gz JPOCWVSHHFYIQY-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981508 857964197 /nfs/dbraw/zinc/96/41/97/857964197.db2.gz JPOCWVSHHFYIQY-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981508 857964202 /nfs/dbraw/zinc/96/42/02/857964202.db2.gz JPOCWVSHHFYIQY-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001328808481 863245346 /nfs/dbraw/zinc/24/53/46/863245346.db2.gz PIWGHUKGWMJAQK-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001381433343 881754977 /nfs/dbraw/zinc/75/49/77/881754977.db2.gz CHRKDNKTFHPNIK-CABCVRRESA-N 2 1 316.449 1.883 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158089874 864419550 /nfs/dbraw/zinc/41/95/50/864419550.db2.gz GGFJGFQDHFFXDU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158089874 864419562 /nfs/dbraw/zinc/41/95/62/864419562.db2.gz GGFJGFQDHFFXDU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158089874 864419574 /nfs/dbraw/zinc/41/95/74/864419574.db2.gz GGFJGFQDHFFXDU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124430 864444327 /nfs/dbraw/zinc/44/43/27/864444327.db2.gz NGYQZGLVGQGPHR-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124430 864444332 /nfs/dbraw/zinc/44/43/32/864444332.db2.gz NGYQZGLVGQGPHR-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124430 864444334 /nfs/dbraw/zinc/44/43/34/864444334.db2.gz NGYQZGLVGQGPHR-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124430 864444339 /nfs/dbraw/zinc/44/43/39/864444339.db2.gz NGYQZGLVGQGPHR-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001331303130 865000858 /nfs/dbraw/zinc/00/08/58/865000858.db2.gz LPKOAOMSISWZLZ-INIZCTEOSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001332142832 865609836 /nfs/dbraw/zinc/60/98/36/865609836.db2.gz XXLSJXLZVQLSIC-RYQLBKOJSA-N 2 1 317.477 1.711 20 30 DDEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC#Cc1ccccc1)C1CCC1 ZINC001159997605 865636352 /nfs/dbraw/zinc/63/63/52/865636352.db2.gz UACHKAGSMLIDSC-UHFFFAOYSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001332218117 865673112 /nfs/dbraw/zinc/67/31/12/865673112.db2.gz JUCAMVUVVHPNBQ-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001161033653 866295444 /nfs/dbraw/zinc/29/54/44/866295444.db2.gz WVANTYKPBJIDFM-GFCCVEGCSA-N 2 1 318.259 1.475 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001161043289 866316199 /nfs/dbraw/zinc/31/61/99/866316199.db2.gz ZTIWUXGDLQCAII-OAHLLOKOSA-N 2 1 320.462 1.700 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161208015 866442093 /nfs/dbraw/zinc/44/20/93/866442093.db2.gz YHQSKYRFMDZROA-DOTOQJQBSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161208015 866442095 /nfs/dbraw/zinc/44/20/95/866442095.db2.gz YHQSKYRFMDZROA-DOTOQJQBSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161208015 866442096 /nfs/dbraw/zinc/44/20/96/866442096.db2.gz YHQSKYRFMDZROA-DOTOQJQBSA-N 2 1 303.450 1.346 20 30 DDEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001320474920 866766905 /nfs/dbraw/zinc/76/69/05/866766905.db2.gz VQKYKQBHWVPHOI-IAGOWNOFSA-N 2 1 323.481 1.241 20 30 DDEDMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC001320797838 867034439 /nfs/dbraw/zinc/03/44/39/867034439.db2.gz FAEQKZPGVJWDCO-UHFFFAOYSA-N 2 1 324.428 1.681 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001161914972 867096218 /nfs/dbraw/zinc/09/62/18/867096218.db2.gz YBXGNXPBUCSIET-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161914972 867096234 /nfs/dbraw/zinc/09/62/34/867096234.db2.gz YBXGNXPBUCSIET-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161914972 867096248 /nfs/dbraw/zinc/09/62/48/867096248.db2.gz YBXGNXPBUCSIET-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001161914972 867096257 /nfs/dbraw/zinc/09/62/57/867096257.db2.gz YBXGNXPBUCSIET-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001162628646 867689861 /nfs/dbraw/zinc/68/98/61/867689861.db2.gz ZUJRBFMALGLXAR-UHFFFAOYSA-N 2 1 317.418 1.421 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001325648679 868211356 /nfs/dbraw/zinc/21/13/56/868211356.db2.gz JRNVXBXITOGJMR-ULQDDVLXSA-N 2 1 323.481 1.405 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001325648679 868211378 /nfs/dbraw/zinc/21/13/78/868211378.db2.gz JRNVXBXITOGJMR-ULQDDVLXSA-N 2 1 323.481 1.405 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001325752759 868326185 /nfs/dbraw/zinc/32/61/85/868326185.db2.gz VEOUPDIGUINRDY-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001325752759 868326199 /nfs/dbraw/zinc/32/61/99/868326199.db2.gz VEOUPDIGUINRDY-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001325752759 868326210 /nfs/dbraw/zinc/32/62/10/868326210.db2.gz VEOUPDIGUINRDY-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C[C@@H](CNC(=O)Cc1ncc[nH]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001381608796 882312009 /nfs/dbraw/zinc/31/20/09/882312009.db2.gz ZRWFUZQVOQXABB-ZDUSSCGKSA-N 2 1 311.389 1.461 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001226333165 882360352 /nfs/dbraw/zinc/36/03/52/882360352.db2.gz FJJPKSFMNMNGQD-QBPKDAKJSA-N 2 1 323.481 1.546 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001166667793 870142878 /nfs/dbraw/zinc/14/28/78/870142878.db2.gz IPQJAOLFPCTLDP-OAHLLOKOSA-N 2 1 314.433 1.496 20 30 DDEDMP C=CCC[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736077 870208540 /nfs/dbraw/zinc/20/85/40/870208540.db2.gz CITBTUZGDWUDJS-UHFFFAOYSA-N 2 1 306.410 1.556 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317272930 870563440 /nfs/dbraw/zinc/56/34/40/870563440.db2.gz WKXIWDGHMNRBKI-JQHSSLGASA-N 2 1 313.445 1.449 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203490613 870588823 /nfs/dbraw/zinc/58/88/23/870588823.db2.gz DBTPRSJUKGCELW-JKSUJKDBSA-N 2 1 314.433 1.622 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001318204506 871827701 /nfs/dbraw/zinc/82/77/01/871827701.db2.gz NRBMZHIOXNEVKW-HOTGVXAUSA-N 2 1 303.450 1.866 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482810 872104178 /nfs/dbraw/zinc/10/41/78/872104178.db2.gz LXNRTWRKGCYQOU-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318482810 872104187 /nfs/dbraw/zinc/10/41/87/872104187.db2.gz LXNRTWRKGCYQOU-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318482810 872104190 /nfs/dbraw/zinc/10/41/90/872104190.db2.gz LXNRTWRKGCYQOU-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281565 872184339 /nfs/dbraw/zinc/18/43/39/872184339.db2.gz MGJOCUMCWPFQHC-SWLSCSKDSA-N 2 1 313.873 1.765 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCC=C)CC1 ZINC001318894779 872333364 /nfs/dbraw/zinc/33/33/64/872333364.db2.gz BMKLBXUCBLAPQW-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCC=C)CC1 ZINC001318894779 872333381 /nfs/dbraw/zinc/33/33/81/872333381.db2.gz BMKLBXUCBLAPQW-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001319009115 872396733 /nfs/dbraw/zinc/39/67/33/872396733.db2.gz ROTLIXADIXYMFE-UHFFFAOYSA-N 2 1 310.401 1.621 20 30 DDEDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@@H]1O ZINC001206525639 872412855 /nfs/dbraw/zinc/41/28/55/872412855.db2.gz WNQHLEPARIAYJH-YJBOKZPZSA-N 2 1 312.438 1.899 20 30 DDEDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)s2)C[C@@H]1O ZINC001206525639 872412866 /nfs/dbraw/zinc/41/28/66/872412866.db2.gz WNQHLEPARIAYJH-YJBOKZPZSA-N 2 1 312.438 1.899 20 30 DDEDMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2C#Cc2ccccc2)C[C@@H]1O ZINC001206525663 872413716 /nfs/dbraw/zinc/41/37/16/872413716.db2.gz YAEPPHBGCRWOHR-PMACEKPBSA-N 2 1 306.409 1.838 20 30 DDEDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C#Cc2ccccc2)C[C@@H]1O ZINC001206525663 872413724 /nfs/dbraw/zinc/41/37/24/872413724.db2.gz YAEPPHBGCRWOHR-PMACEKPBSA-N 2 1 306.409 1.838 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226774471 882643378 /nfs/dbraw/zinc/64/33/78/882643378.db2.gz MZNVOPANWRQOTD-BZUAXINKSA-N 2 1 314.433 1.801 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208335701 874026430 /nfs/dbraw/zinc/02/64/30/874026430.db2.gz YYPJCIXNQIRYLN-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242639 874752792 /nfs/dbraw/zinc/75/27/92/874752792.db2.gz NSIRIRSYNQVSDW-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242639 874752802 /nfs/dbraw/zinc/75/28/02/874752802.db2.gz NSIRIRSYNQVSDW-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209643710 875034028 /nfs/dbraw/zinc/03/40/28/875034028.db2.gz VSGBEGHLCRAKEH-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855618 876481854 /nfs/dbraw/zinc/48/18/54/876481854.db2.gz IIHFSAOVNOFHSS-RBSFLKMASA-N 2 1 300.406 1.220 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929303 876825469 /nfs/dbraw/zinc/82/54/69/876825469.db2.gz DVBCLRQRBAROTD-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374272607 912393225 /nfs/dbraw/zinc/39/32/25/912393225.db2.gz YCPRZULEXUHWIL-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224222560 881281007 /nfs/dbraw/zinc/28/10/07/881281007.db2.gz ONNOZAJJJAQACM-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001227661911 883121608 /nfs/dbraw/zinc/12/16/08/883121608.db2.gz OPNMYUCJIDPRFM-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001277360226 883847026 /nfs/dbraw/zinc/84/70/26/883847026.db2.gz QVCPQVWNYGCJMF-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)CCc2nccn2C)CC1 ZINC001277417651 884149551 /nfs/dbraw/zinc/14/95/51/884149551.db2.gz RCGJNZANCJPJHF-UHFFFAOYSA-N 2 1 302.422 1.299 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001230306794 884420744 /nfs/dbraw/zinc/42/07/44/884420744.db2.gz DBYGYILUQWYWOF-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230306794 884420751 /nfs/dbraw/zinc/42/07/51/884420751.db2.gz DBYGYILUQWYWOF-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP Cc1cc(C[N@@H+]2CC[C@H]3C[NH+](CCC#N)C[C@H]3CC2)n(C)n1 ZINC001277938924 888576509 /nfs/dbraw/zinc/57/65/09/888576509.db2.gz IRPHZNLZVSQQTC-IYBDPMFKSA-N 2 1 301.438 1.786 20 30 DDEDMP Cc1cc(C[NH+]2CC[C@H]3C[N@@H+](CCC#N)C[C@H]3CC2)n(C)n1 ZINC001277938924 888576512 /nfs/dbraw/zinc/57/65/12/888576512.db2.gz IRPHZNLZVSQQTC-IYBDPMFKSA-N 2 1 301.438 1.786 20 30 DDEDMP Cc1cc(C[NH+]2CC[C@H]3C[N@H+](CCC#N)C[C@H]3CC2)n(C)n1 ZINC001277938924 888576514 /nfs/dbraw/zinc/57/65/14/888576514.db2.gz IRPHZNLZVSQQTC-IYBDPMFKSA-N 2 1 301.438 1.786 20 30 DDEDMP Cc1cc(C[NH+]2CC3(C2)CC[NH+](CCCC#N)CC3)n(C)n1 ZINC001277945146 888640646 /nfs/dbraw/zinc/64/06/46/888640646.db2.gz OASYXQHOKWJZNO-UHFFFAOYSA-N 2 1 301.438 1.930 20 30 DDEDMP N#CCc1ccccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001235524781 888707733 /nfs/dbraw/zinc/70/77/33/888707733.db2.gz AMWBSMPKROFBIS-UHFFFAOYSA-N 2 1 312.461 1.966 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001278169983 889943625 /nfs/dbraw/zinc/94/36/25/889943625.db2.gz VKYMEUBHXXODRQ-DOTOQJQBSA-N 2 1 321.465 1.042 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[NH2+]CC34CC4)CC2)cc1 ZINC001246131550 892427767 /nfs/dbraw/zinc/42/77/67/892427767.db2.gz KPSJLWOYXRCPPS-QGZVFWFLSA-N 2 1 324.428 1.504 20 30 DDEDMP CC#CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001278632230 894658235 /nfs/dbraw/zinc/65/82/35/894658235.db2.gz KSXKSXUDZPBDAK-INIZCTEOSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278667271 895161070 /nfs/dbraw/zinc/16/10/70/895161070.db2.gz BZGRLANQVVWSDP-QGZVFWFLSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278667271 895161074 /nfs/dbraw/zinc/16/10/74/895161074.db2.gz BZGRLANQVVWSDP-QGZVFWFLSA-N 2 1 302.422 1.433 20 30 DDEDMP C=C[C@](C)(O)C[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001252574662 895286890 /nfs/dbraw/zinc/28/68/90/895286890.db2.gz OTSDPVIOPBEPIU-SFHVURJKSA-N 2 1 303.450 1.461 20 30 DDEDMP C[N@H+]1CCC[C@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001254507222 896468486 /nfs/dbraw/zinc/46/84/86/896468486.db2.gz KEGSNCYVPXYEIA-ZDUSSCGKSA-N 2 1 309.435 1.280 20 30 DDEDMP N#C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001254673745 896567530 /nfs/dbraw/zinc/56/75/30/896567530.db2.gz OGELFLWLGICARC-BBRMVZONSA-N 2 1 304.438 1.340 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374873754 914199234 /nfs/dbraw/zinc/19/92/34/914199234.db2.gz SHFKALBNPXPCPM-XJKSGUPXSA-N 2 1 300.406 1.247 20 30 DDEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001367856705 898044913 /nfs/dbraw/zinc/04/49/13/898044913.db2.gz NOBHOGFRGOJKBH-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)C[NH+]1CCCC1 ZINC001367856705 898044926 /nfs/dbraw/zinc/04/49/26/898044926.db2.gz NOBHOGFRGOJKBH-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001264077257 900914095 /nfs/dbraw/zinc/91/40/95/900914095.db2.gz WIOVHZLJFKSZED-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001264077257 900914101 /nfs/dbraw/zinc/91/41/01/900914101.db2.gz WIOVHZLJFKSZED-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001264077257 900914116 /nfs/dbraw/zinc/91/41/16/900914116.db2.gz WIOVHZLJFKSZED-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001264089322 900927096 /nfs/dbraw/zinc/92/70/96/900927096.db2.gz QLAFAJQJSUGQBQ-OWCLPIDISA-N 2 1 311.445 1.633 20 30 DDEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265534693 902104432 /nfs/dbraw/zinc/10/44/32/902104432.db2.gz LGOMAYLTYSTGNA-XHSDSOJGSA-N 2 1 311.470 1.524 20 30 DDEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265534693 902104440 /nfs/dbraw/zinc/10/44/40/902104440.db2.gz LGOMAYLTYSTGNA-XHSDSOJGSA-N 2 1 311.470 1.524 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001265708697 902330063 /nfs/dbraw/zinc/33/00/63/902330063.db2.gz RZFYWUXKVBKZMV-IAGOWNOFSA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001265708697 902330074 /nfs/dbraw/zinc/33/00/74/902330074.db2.gz RZFYWUXKVBKZMV-IAGOWNOFSA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001265708697 902330088 /nfs/dbraw/zinc/33/00/88/902330088.db2.gz RZFYWUXKVBKZMV-IAGOWNOFSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001279415712 903254724 /nfs/dbraw/zinc/25/47/24/903254724.db2.gz CXLSXXFUQZWZPI-HDICACEKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001280363007 903609032 /nfs/dbraw/zinc/60/90/32/903609032.db2.gz REBVDGMSDFASHC-BRWVUGGUSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001280921974 904191188 /nfs/dbraw/zinc/19/11/88/904191188.db2.gz SBEXHFDMSUTWDY-MRXNPFEDSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001280921974 904191197 /nfs/dbraw/zinc/19/11/97/904191197.db2.gz SBEXHFDMSUTWDY-MRXNPFEDSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001282783173 906033606 /nfs/dbraw/zinc/03/36/06/906033606.db2.gz XUPLVGISIGQPNR-SFHVURJKSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001282783173 906033620 /nfs/dbraw/zinc/03/36/20/906033620.db2.gz XUPLVGISIGQPNR-SFHVURJKSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001282783173 906033638 /nfs/dbraw/zinc/03/36/38/906033638.db2.gz XUPLVGISIGQPNR-SFHVURJKSA-N 2 1 323.481 1.598 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001283676768 907780188 /nfs/dbraw/zinc/78/01/88/907780188.db2.gz DSXWIESGGAKXHU-HNNXBMFYSA-N 2 1 311.470 1.051 20 30 DDEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(C)CCO3)CCC[C@H]12 ZINC001284045143 908378819 /nfs/dbraw/zinc/37/88/19/908378819.db2.gz MVAURLXAFNLDLX-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284492445 909076557 /nfs/dbraw/zinc/07/65/57/909076557.db2.gz KEDIMJDSDWULHT-IRXDYDNUSA-N 2 1 323.481 1.046 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001377867493 923281324 /nfs/dbraw/zinc/28/13/24/923281324.db2.gz GNLMYKIQFIUPHO-OLZOCXBDSA-N 2 1 322.478 1.944 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000077823102 353493603 /nfs/dbraw/zinc/49/36/03/353493603.db2.gz OQZSEBKGXQFGBJ-QGZVFWFLSA-N 2 1 320.481 1.907 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000596423758 356874509 /nfs/dbraw/zinc/87/45/09/356874509.db2.gz BITMWNICGXBJLS-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000596423758 356874511 /nfs/dbraw/zinc/87/45/11/356874511.db2.gz BITMWNICGXBJLS-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600721374 358295316 /nfs/dbraw/zinc/29/53/16/358295316.db2.gz LNOSLGVWBHQGCR-JKSUJKDBSA-N 2 1 309.454 1.379 20 30 DDEDMP N#CC1CCC([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000602545690 359037482 /nfs/dbraw/zinc/03/74/82/359037482.db2.gz NVOYPTZIVKEFGQ-OFLPRAFFSA-N 2 1 306.454 1.065 20 30 DDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877782 359261098 /nfs/dbraw/zinc/26/10/98/359261098.db2.gz QLHZPSUKZGXFCC-HNNXBMFYSA-N 2 1 306.454 1.412 20 30 DDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000609224139 360275138 /nfs/dbraw/zinc/27/51/38/360275138.db2.gz JNSQWEAUXQHJET-KRWDZBQOSA-N 2 1 314.433 1.400 20 30 DDEDMP N#CCCn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccncc2)n1 ZINC000619071007 363883684 /nfs/dbraw/zinc/88/36/84/363883684.db2.gz OQCWHOPDANLBPV-HOTGVXAUSA-N 2 1 322.416 1.510 20 30 DDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCCC#N)CC2)CC1 ZINC000066568453 407254011 /nfs/dbraw/zinc/25/40/11/407254011.db2.gz XRKYWGPZDSPMKQ-UHFFFAOYSA-N 2 1 320.481 1.946 20 30 DDEDMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123595816 407333365 /nfs/dbraw/zinc/33/33/65/407333365.db2.gz LGMSPFIIXRQZDG-XIRDDKMYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123595816 407333366 /nfs/dbraw/zinc/33/33/66/407333366.db2.gz LGMSPFIIXRQZDG-XIRDDKMYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000123595816 407333367 /nfs/dbraw/zinc/33/33/67/407333367.db2.gz LGMSPFIIXRQZDG-XIRDDKMYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000123595816 407333368 /nfs/dbraw/zinc/33/33/68/407333368.db2.gz LGMSPFIIXRQZDG-XIRDDKMYSA-N 2 1 317.433 1.712 20 30 DDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000320631254 409905659 /nfs/dbraw/zinc/90/56/59/409905659.db2.gz BUHXYVIMOQDREH-OAHLLOKOSA-N 2 1 300.362 1.093 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000298654405 410331356 /nfs/dbraw/zinc/33/13/56/410331356.db2.gz FZGNCKSPAKUJLD-MRXNPFEDSA-N 2 1 308.470 1.642 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000358780981 410531841 /nfs/dbraw/zinc/53/18/41/410531841.db2.gz BPUHVEFDEACGGJ-HNNXBMFYSA-N 2 1 308.470 1.668 20 30 DDEDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000344167437 411001683 /nfs/dbraw/zinc/00/16/83/411001683.db2.gz KWSFLPTVECIZDY-PBHICJAKSA-N 2 1 314.433 1.796 20 30 DDEDMP C[NH+]=C(NCC1(C2CC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261691288 222255036 /nfs/dbraw/zinc/25/50/36/222255036.db2.gz ILKPTPIVUDMUPU-HNNXBMFYSA-N 2 1 320.481 1.406 20 30 DDEDMP CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262000354 222269831 /nfs/dbraw/zinc/26/98/31/222269831.db2.gz UFFDIGGFNLGYDP-LXZKKBNFSA-N 2 1 308.470 1.451 20 30 DDEDMP C[NH+]=C(NCc1ccc(C[NH+]2CCN(C)CC2)cc1)NC1CC1 ZINC000264029510 222310272 /nfs/dbraw/zinc/31/02/72/222310272.db2.gz CUODVADGGNTZDS-UHFFFAOYSA-N 2 1 315.465 1.261 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(Cl)cc1 ZINC000264065719 222313281 /nfs/dbraw/zinc/31/32/81/222313281.db2.gz BDMLZLWEFVXPQT-CABCVRRESA-N 2 1 324.856 1.762 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264115461 222319940 /nfs/dbraw/zinc/31/99/40/222319940.db2.gz SJTYJDIHORHTLY-CJNGLKHVSA-N 2 1 304.438 1.108 20 30 DDEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1C[N@@H+](C)CCN1C ZINC000267410524 222384696 /nfs/dbraw/zinc/38/46/96/222384696.db2.gz IDIOKMQNUYPHLY-INIZCTEOSA-N 2 1 317.481 1.784 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1F ZINC000267443680 222385727 /nfs/dbraw/zinc/38/57/27/222385727.db2.gz PPKUTNDITMPQPV-UONOGXRCSA-N 2 1 322.428 1.982 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361673963 418697848 /nfs/dbraw/zinc/69/78/48/418697848.db2.gz BDDKABPONCFQPF-MUQADHOPSA-N 2 1 320.481 1.845 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000370022466 418739904 /nfs/dbraw/zinc/73/99/04/418739904.db2.gz WRNPDCVYQSCFPZ-RDJZCZTQSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000364395597 418776262 /nfs/dbraw/zinc/77/62/62/418776262.db2.gz XLQRSXTZHQEJPG-MRXNPFEDSA-N 2 1 301.438 1.984 20 30 DDEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451569785 420603414 /nfs/dbraw/zinc/60/34/14/420603414.db2.gz OPASCGMYWWJJDL-FZDBZEDMSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451569785 420603418 /nfs/dbraw/zinc/60/34/18/420603418.db2.gz OPASCGMYWWJJDL-FZDBZEDMSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451569785 420603421 /nfs/dbraw/zinc/60/34/21/420603421.db2.gz OPASCGMYWWJJDL-FZDBZEDMSA-N 2 1 308.466 1.703 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000451247666 420595301 /nfs/dbraw/zinc/59/53/01/420595301.db2.gz AABGAWBQEWGEQL-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[N@H+]1CC#CC[NH+]1CC[C@@H](CO)[C@@H]1CC ZINC000451247666 420595305 /nfs/dbraw/zinc/59/53/05/420595305.db2.gz AABGAWBQEWGEQL-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[N@@H+]1CC#CC[NH+]1CC[C@@H](CO)[C@@H]1CC ZINC000451247666 420595308 /nfs/dbraw/zinc/59/53/08/420595308.db2.gz AABGAWBQEWGEQL-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455450695 421017207 /nfs/dbraw/zinc/01/72/07/421017207.db2.gz XIRUDYUPTDAVNM-ALOPSCKCSA-N 2 1 320.481 1.951 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccccc2C#N)CC[N@@H+]1C ZINC000528397751 421485523 /nfs/dbraw/zinc/48/55/23/421485523.db2.gz RTIQEKCIHNMAQG-HYVNUMGLSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccccc2C#N)CC[N@H+]1C ZINC000528397751 421485526 /nfs/dbraw/zinc/48/55/26/421485526.db2.gz RTIQEKCIHNMAQG-HYVNUMGLSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC[NH+]1C ZINC000528397751 421485530 /nfs/dbraw/zinc/48/55/30/421485530.db2.gz RTIQEKCIHNMAQG-HYVNUMGLSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC[NH+]1C ZINC000528397751 421485532 /nfs/dbraw/zinc/48/55/32/421485532.db2.gz RTIQEKCIHNMAQG-HYVNUMGLSA-N 2 1 317.433 1.712 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000635532080 422083413 /nfs/dbraw/zinc/08/34/13/422083413.db2.gz YYAITPKARMOBNH-CVEARBPZSA-N 2 1 307.438 1.006 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000582125013 422114963 /nfs/dbraw/zinc/11/49/63/422114963.db2.gz CLOQLNMJLXNXJP-KRWDZBQOSA-N 2 1 312.417 1.202 20 30 DDEDMP C=CCC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720967 422586482 /nfs/dbraw/zinc/58/64/82/422586482.db2.gz RGMYPEOIDNKFNY-ROUUACIJSA-N 2 1 304.434 1.540 20 30 DDEDMP C=CCC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720967 422586484 /nfs/dbraw/zinc/58/64/84/422586484.db2.gz RGMYPEOIDNKFNY-ROUUACIJSA-N 2 1 304.434 1.540 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654431243 423879244 /nfs/dbraw/zinc/87/92/44/423879244.db2.gz BRXCHLLPGPPKMH-IAGOWNOFSA-N 2 1 320.481 1.953 20 30 DDEDMP C=CC[C@]1(C(=O)NCCCCN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662759463 424758636 /nfs/dbraw/zinc/75/86/36/424758636.db2.gz XKHCZEXMZZIGAP-GOSISDBHSA-N 2 1 322.497 1.219 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261599749 276371259 /nfs/dbraw/zinc/37/12/59/276371259.db2.gz AXAXECOTJVXJLL-QKPAOTATSA-N 2 1 320.481 1.723 20 30 DDEDMP C[C@H](O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000515526970 484263771 /nfs/dbraw/zinc/26/37/71/484263771.db2.gz XIPRNWWWQJDVHS-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@H](O)[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000515526970 484263779 /nfs/dbraw/zinc/26/37/79/484263779.db2.gz XIPRNWWWQJDVHS-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@H](O)[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000515526970 484263788 /nfs/dbraw/zinc/26/37/88/484263788.db2.gz XIPRNWWWQJDVHS-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCC[NH2+]1 ZINC000663002313 484593714 /nfs/dbraw/zinc/59/37/14/484593714.db2.gz CZDVNOZNRZPIGN-SJLPKXTDSA-N 2 1 305.466 1.923 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000350028885 526583857 /nfs/dbraw/zinc/58/38/57/526583857.db2.gz XLCOZTFRHDNGDX-KRWDZBQOSA-N 2 1 320.481 1.905 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000491752269 526822506 /nfs/dbraw/zinc/82/25/06/526822506.db2.gz VXZICJBDWZFHEV-SFHVURJKSA-N 2 1 315.461 1.968 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)Cc1ccccc1 ZINC000491752269 526822509 /nfs/dbraw/zinc/82/25/09/526822509.db2.gz VXZICJBDWZFHEV-SFHVURJKSA-N 2 1 315.461 1.968 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)Cc1ccccc1 ZINC000491752269 526822512 /nfs/dbraw/zinc/82/25/12/526822512.db2.gz VXZICJBDWZFHEV-SFHVURJKSA-N 2 1 315.461 1.968 20 30 DDEDMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329920870 528194710 /nfs/dbraw/zinc/19/47/10/528194710.db2.gz SKGBOKNOMIFZIM-CQSZACIVSA-N 2 1 319.453 1.824 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972465074 695257509 /nfs/dbraw/zinc/25/75/09/695257509.db2.gz GNQOSMUUDUYDHS-QGZVFWFLSA-N 2 1 318.421 1.071 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972465074 695257511 /nfs/dbraw/zinc/25/75/11/695257511.db2.gz GNQOSMUUDUYDHS-QGZVFWFLSA-N 2 1 318.421 1.071 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974901092 695756563 /nfs/dbraw/zinc/75/65/63/695756563.db2.gz PDIANEIKSVPOBY-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982083925 697025246 /nfs/dbraw/zinc/02/52/46/697025246.db2.gz CIMHCAWTGBJLAI-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982116828 697034201 /nfs/dbraw/zinc/03/42/01/697034201.db2.gz TXFRRGQOPUZTJT-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982116828 697034205 /nfs/dbraw/zinc/03/42/05/697034205.db2.gz TXFRRGQOPUZTJT-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982116828 697034206 /nfs/dbraw/zinc/03/42/06/697034206.db2.gz TXFRRGQOPUZTJT-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982151522 697043859 /nfs/dbraw/zinc/04/38/59/697043859.db2.gz FECWYJCTOPVZEC-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982151522 697043862 /nfs/dbraw/zinc/04/38/62/697043862.db2.gz FECWYJCTOPVZEC-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982151522 697043865 /nfs/dbraw/zinc/04/38/65/697043865.db2.gz FECWYJCTOPVZEC-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000981365530 697076426 /nfs/dbraw/zinc/07/64/26/697076426.db2.gz PTXUEOIYDKMJCR-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000981365530 697076428 /nfs/dbraw/zinc/07/64/28/697076428.db2.gz PTXUEOIYDKMJCR-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000981365530 697076430 /nfs/dbraw/zinc/07/64/30/697076430.db2.gz PTXUEOIYDKMJCR-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000981365530 697076432 /nfs/dbraw/zinc/07/64/32/697076432.db2.gz PTXUEOIYDKMJCR-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000981365530 697076434 /nfs/dbraw/zinc/07/64/34/697076434.db2.gz PTXUEOIYDKMJCR-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982806271 697180834 /nfs/dbraw/zinc/18/08/34/697180834.db2.gz ZMBIAGJDZMWLLI-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982806271 697180835 /nfs/dbraw/zinc/18/08/35/697180835.db2.gz ZMBIAGJDZMWLLI-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982806271 697180836 /nfs/dbraw/zinc/18/08/36/697180836.db2.gz ZMBIAGJDZMWLLI-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000985471034 697516464 /nfs/dbraw/zinc/51/64/64/697516464.db2.gz SXQUKAGOWLKTBM-HNNXBMFYSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000985471034 697516465 /nfs/dbraw/zinc/51/64/65/697516465.db2.gz SXQUKAGOWLKTBM-HNNXBMFYSA-N 2 1 300.406 1.317 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000986567629 697840880 /nfs/dbraw/zinc/84/08/80/697840880.db2.gz CDUGQPRTDVKJNX-UONOGXRCSA-N 2 1 302.422 1.527 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000986567630 697840982 /nfs/dbraw/zinc/84/09/82/697840982.db2.gz CDUGQPRTDVKJNX-ZIAGYGMSSA-N 2 1 302.422 1.527 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000303768266 698605627 /nfs/dbraw/zinc/60/56/27/698605627.db2.gz AFACLOQFOCBPIY-INIZCTEOSA-N 2 1 320.437 1.779 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(F)c1 ZINC000304805908 698625419 /nfs/dbraw/zinc/62/54/19/698625419.db2.gz RQJJHYZJORBMMB-ZFWWWQNUSA-N 2 1 322.428 1.982 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000732063781 699545362 /nfs/dbraw/zinc/54/53/62/699545362.db2.gz GIAWRAWWITZQGZ-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000732063781 699545363 /nfs/dbraw/zinc/54/53/63/699545363.db2.gz GIAWRAWWITZQGZ-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)CC1 ZINC000758242306 700693728 /nfs/dbraw/zinc/69/37/28/700693728.db2.gz MKRGMPYMTFZCGQ-INIZCTEOSA-N 2 1 300.406 1.341 20 30 DDEDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)CC1 ZINC000758242306 700693730 /nfs/dbraw/zinc/69/37/30/700693730.db2.gz MKRGMPYMTFZCGQ-INIZCTEOSA-N 2 1 300.406 1.341 20 30 DDEDMP N#CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000848535260 703561609 /nfs/dbraw/zinc/56/16/09/703561609.db2.gz XUGZADXEHSYAGK-KRWDZBQOSA-N 2 1 315.417 1.932 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C#CC(C)(C)C)CC1 ZINC000837359499 707629401 /nfs/dbraw/zinc/62/94/01/707629401.db2.gz KUVXDFJWMJJSAZ-UHFFFAOYSA-N 2 1 300.406 1.821 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000913523977 713245593 /nfs/dbraw/zinc/24/55/93/713245593.db2.gz UKKRLSHKIQWUNK-OAHLLOKOSA-N 2 1 307.825 1.624 20 30 DDEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904469180 711861095 /nfs/dbraw/zinc/86/10/95/711861095.db2.gz JFDIIEMGCZOWSI-LBPRGKRZSA-N 2 1 306.435 1.249 20 30 DDEDMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)C2 ZINC000922391813 714039556 /nfs/dbraw/zinc/03/95/56/714039556.db2.gz ZXHGPMYVERNUHN-VDERGJSUSA-N 2 1 320.462 1.584 20 30 DDEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)C2 ZINC000922391813 714039560 /nfs/dbraw/zinc/03/95/60/714039560.db2.gz ZXHGPMYVERNUHN-VDERGJSUSA-N 2 1 320.462 1.584 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000923200893 714270246 /nfs/dbraw/zinc/27/02/46/714270246.db2.gz FUSRVSZSJBJDJO-GJZGRUSLSA-N 2 1 309.458 1.204 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000923200893 714270247 /nfs/dbraw/zinc/27/02/47/714270247.db2.gz FUSRVSZSJBJDJO-GJZGRUSLSA-N 2 1 309.458 1.204 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000923383158 714336156 /nfs/dbraw/zinc/33/61/56/714336156.db2.gz XMNBVXSLTVFUBU-OAHLLOKOSA-N 2 1 301.390 1.126 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000923564623 714406826 /nfs/dbraw/zinc/40/68/26/714406826.db2.gz ALNAWISBDIZVMF-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000923564623 714406827 /nfs/dbraw/zinc/40/68/27/714406827.db2.gz ALNAWISBDIZVMF-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000923564623 714406830 /nfs/dbraw/zinc/40/68/30/714406830.db2.gz ALNAWISBDIZVMF-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000923564623 714406833 /nfs/dbraw/zinc/40/68/33/714406833.db2.gz ALNAWISBDIZVMF-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279527 716892898 /nfs/dbraw/zinc/89/28/98/716892898.db2.gz FCLOPYICIGVCGU-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279527 716892903 /nfs/dbraw/zinc/89/29/03/716892903.db2.gz FCLOPYICIGVCGU-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000961582082 717014883 /nfs/dbraw/zinc/01/48/83/717014883.db2.gz PLXGPVIELYFYDS-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000961582082 717014884 /nfs/dbraw/zinc/01/48/84/717014884.db2.gz PLXGPVIELYFYDS-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961582082 717014888 /nfs/dbraw/zinc/01/48/88/717014888.db2.gz PLXGPVIELYFYDS-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000961582082 717014891 /nfs/dbraw/zinc/01/48/91/717014891.db2.gz PLXGPVIELYFYDS-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000964372722 717233027 /nfs/dbraw/zinc/23/30/27/717233027.db2.gz QQRIOOXSPFKADA-UHFFFAOYSA-N 2 1 322.840 1.961 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000965095459 717534828 /nfs/dbraw/zinc/53/48/28/717534828.db2.gz WUDVXXREEJWSOQ-ZHIXCNEBSA-N 2 1 305.466 1.777 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942207243 717548430 /nfs/dbraw/zinc/54/84/30/717548430.db2.gz KHJQTQLUSVCKQZ-HIFRSBDPSA-N 2 1 320.437 1.753 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942207243 717548436 /nfs/dbraw/zinc/54/84/36/717548436.db2.gz KHJQTQLUSVCKQZ-HIFRSBDPSA-N 2 1 320.437 1.753 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581788 717761567 /nfs/dbraw/zinc/76/15/67/717761567.db2.gz MXYQEETXUQSIJC-HIFRSBDPSA-N 2 1 305.422 1.967 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943289903 718068853 /nfs/dbraw/zinc/06/88/53/718068853.db2.gz SRMDJYKHLFZCSQ-CABCVRRESA-N 2 1 302.422 1.466 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943289903 718068858 /nfs/dbraw/zinc/06/88/58/718068858.db2.gz SRMDJYKHLFZCSQ-CABCVRRESA-N 2 1 302.422 1.466 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944153644 718262467 /nfs/dbraw/zinc/26/24/67/718262467.db2.gz IQTYKUUCBGGGLQ-TZMCWYRMSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944153644 718262469 /nfs/dbraw/zinc/26/24/69/718262469.db2.gz IQTYKUUCBGGGLQ-TZMCWYRMSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902723 718939752 /nfs/dbraw/zinc/93/97/52/718939752.db2.gz WPKJXMVCLUHBOH-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902723 718939755 /nfs/dbraw/zinc/93/97/55/718939755.db2.gz WPKJXMVCLUHBOH-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902723 718939757 /nfs/dbraw/zinc/93/97/57/718939757.db2.gz WPKJXMVCLUHBOH-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726197 719255043 /nfs/dbraw/zinc/25/50/43/719255043.db2.gz KFYYLBLISZUFFH-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726197 719255047 /nfs/dbraw/zinc/25/50/47/719255047.db2.gz KFYYLBLISZUFFH-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947726197 719255050 /nfs/dbraw/zinc/25/50/50/719255050.db2.gz KFYYLBLISZUFFH-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330518 719511058 /nfs/dbraw/zinc/51/10/58/719511058.db2.gz ABZSOUBXOZXOGW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000968330518 719511063 /nfs/dbraw/zinc/51/10/63/719511063.db2.gz ABZSOUBXOZXOGW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000968330518 719511066 /nfs/dbraw/zinc/51/10/66/719511066.db2.gz ABZSOUBXOZXOGW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417226 719573008 /nfs/dbraw/zinc/57/30/08/719573008.db2.gz DMYUIYNFECKCNY-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417226 719573011 /nfs/dbraw/zinc/57/30/11/719573011.db2.gz DMYUIYNFECKCNY-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681671 719733657 /nfs/dbraw/zinc/73/36/57/719733657.db2.gz LHLKMZOCEAFXMM-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681671 719733658 /nfs/dbraw/zinc/73/36/58/719733658.db2.gz LHLKMZOCEAFXMM-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC000969154161 719979956 /nfs/dbraw/zinc/97/99/56/719979956.db2.gz YWJLLXBTYZCYRW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969154161 719979957 /nfs/dbraw/zinc/97/99/57/719979957.db2.gz YWJLLXBTYZCYRW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969154161 719979961 /nfs/dbraw/zinc/97/99/61/719979961.db2.gz YWJLLXBTYZCYRW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969154161 719979964 /nfs/dbraw/zinc/97/99/64/719979964.db2.gz YWJLLXBTYZCYRW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969154161 719979966 /nfs/dbraw/zinc/97/99/66/719979966.db2.gz YWJLLXBTYZCYRW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000969962333 720578055 /nfs/dbraw/zinc/57/80/55/720578055.db2.gz LLVPHDLYXNBDPJ-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@H](F)CC)C2)CC1 ZINC000970925399 720990567 /nfs/dbraw/zinc/99/05/67/720990567.db2.gz PXXKNUGYYZINNN-RHSMWYFYSA-N 2 1 323.456 1.516 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H](F)CC)C2)CC1 ZINC000970925403 720990616 /nfs/dbraw/zinc/99/06/16/720990616.db2.gz PXXKNUGYYZINNN-YOEHRIQHSA-N 2 1 323.456 1.516 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@H](F)CC)C2)CC1 ZINC000970925401 720990845 /nfs/dbraw/zinc/99/08/45/720990845.db2.gz PXXKNUGYYZINNN-WMLDXEAASA-N 2 1 323.456 1.516 20 30 DDEDMP C=CC[NH+]1CCN(c2cccc(OCC[NH+]3CCCC3)n2)CC1 ZINC001165032182 721869725 /nfs/dbraw/zinc/86/97/25/721869725.db2.gz KWJQCCDJQRRATL-UHFFFAOYSA-N 2 1 316.449 1.864 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCF)C2)CC1 ZINC001023762079 735450804 /nfs/dbraw/zinc/45/08/04/735450804.db2.gz QUZFZOOMKMUHTJ-INIZCTEOSA-N 2 1 323.456 1.519 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601134 738455252 /nfs/dbraw/zinc/45/52/52/738455252.db2.gz STESUGCOVNYNAL-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001027601134 738455255 /nfs/dbraw/zinc/45/52/55/738455255.db2.gz STESUGCOVNYNAL-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027648322 738509556 /nfs/dbraw/zinc/50/95/56/738509556.db2.gz VGIJRPFPAIMQLL-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470943 732328984 /nfs/dbraw/zinc/32/89/84/732328984.db2.gz ZZDHMLKRVSOVMZ-WMZOPIPTSA-N 2 1 314.433 1.433 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2cncn2C)C1 ZINC001039255600 733379359 /nfs/dbraw/zinc/37/93/59/733379359.db2.gz CZFUGVCYASUICY-WBVHZDCISA-N 2 1 316.449 1.852 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021717023 733480740 /nfs/dbraw/zinc/48/07/40/733480740.db2.gz NQCMYIOSKAKFOM-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737133 733496869 /nfs/dbraw/zinc/49/68/69/733496869.db2.gz RSVIOQIMKQJRIJ-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001027897425 738785405 /nfs/dbraw/zinc/78/54/05/738785405.db2.gz NGMSMMCUFBWEOU-BBRMVZONSA-N 2 1 317.437 1.557 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001112531954 738863655 /nfs/dbraw/zinc/86/36/55/738863655.db2.gz ZIDAQVBNVXVNSB-LPHOPBHVSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436624 735816882 /nfs/dbraw/zinc/81/68/82/735816882.db2.gz GBOMEXPMWNCDTC-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436624 735816886 /nfs/dbraw/zinc/81/68/86/735816886.db2.gz GBOMEXPMWNCDTC-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436624 735816896 /nfs/dbraw/zinc/81/68/96/735816896.db2.gz GBOMEXPMWNCDTC-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436624 735816898 /nfs/dbraw/zinc/81/68/98/735816898.db2.gz GBOMEXPMWNCDTC-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479415 735855768 /nfs/dbraw/zinc/85/57/68/735855768.db2.gz HFPQTUNNGQUYMS-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479415 735855771 /nfs/dbraw/zinc/85/57/71/735855771.db2.gz HFPQTUNNGQUYMS-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3ccnc3C)C(C)(C)[C@@H]21 ZINC001087318206 736085736 /nfs/dbraw/zinc/08/57/36/736085736.db2.gz SSNYAILWJJLVRK-DJIMGWMZSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087318206 736085741 /nfs/dbraw/zinc/08/57/41/736085741.db2.gz SSNYAILWJJLVRK-DJIMGWMZSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@@H]21 ZINC001087318206 736085747 /nfs/dbraw/zinc/08/57/47/736085747.db2.gz SSNYAILWJJLVRK-DJIMGWMZSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026140198 737139789 /nfs/dbraw/zinc/13/97/89/737139789.db2.gz WSBGAQPINMTFKD-ALYAQQCSSA-N 2 1 305.466 1.729 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212893 741109231 /nfs/dbraw/zinc/10/92/31/741109231.db2.gz ZLSDTMDATIYLRM-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212893 741109233 /nfs/dbraw/zinc/10/92/33/741109233.db2.gz ZLSDTMDATIYLRM-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093334 739022813 /nfs/dbraw/zinc/02/28/13/739022813.db2.gz KEBRDTRZWVZIPC-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028093334 739022818 /nfs/dbraw/zinc/02/28/18/739022818.db2.gz KEBRDTRZWVZIPC-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028093334 739022821 /nfs/dbraw/zinc/02/28/21/739022821.db2.gz KEBRDTRZWVZIPC-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226466 739196667 /nfs/dbraw/zinc/19/66/67/739196667.db2.gz KTLQUMUQJDZIEF-KRWDZBQOSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226466 739196668 /nfs/dbraw/zinc/19/66/68/739196668.db2.gz KTLQUMUQJDZIEF-KRWDZBQOSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595313 739764279 /nfs/dbraw/zinc/76/42/79/739764279.db2.gz XNGGKIWULIUOOY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595313 739764282 /nfs/dbraw/zinc/76/42/82/739764282.db2.gz XNGGKIWULIUOOY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595313 739764285 /nfs/dbraw/zinc/76/42/85/739764285.db2.gz XNGGKIWULIUOOY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001028601798 739778612 /nfs/dbraw/zinc/77/86/12/739778612.db2.gz VKMOQMGIIMHDJD-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001028601798 739778615 /nfs/dbraw/zinc/77/86/15/739778615.db2.gz VKMOQMGIIMHDJD-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001028601798 739778619 /nfs/dbraw/zinc/77/86/19/739778619.db2.gz VKMOQMGIIMHDJD-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001028601798 739778622 /nfs/dbraw/zinc/77/86/22/739778622.db2.gz VKMOQMGIIMHDJD-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800103 740057456 /nfs/dbraw/zinc/05/74/56/740057456.db2.gz OWRWWRVSSRCOCV-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800103 740057459 /nfs/dbraw/zinc/05/74/59/740057459.db2.gz OWRWWRVSSRCOCV-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813481 740657496 /nfs/dbraw/zinc/65/74/96/740657496.db2.gz IFWNOHUTEZESSG-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813481 740657498 /nfs/dbraw/zinc/65/74/98/740657498.db2.gz IFWNOHUTEZESSG-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813481 740657500 /nfs/dbraw/zinc/65/75/00/740657500.db2.gz IFWNOHUTEZESSG-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c(n3)CCCC4)[C@@H]2C1 ZINC001075819715 740753014 /nfs/dbraw/zinc/75/30/14/740753014.db2.gz AJHUNDBOLXBDQT-GOEBONIOSA-N 2 1 314.433 1.481 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106467 741034550 /nfs/dbraw/zinc/03/45/50/741034550.db2.gz CCGYNIOKJJZODT-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106467 741034555 /nfs/dbraw/zinc/03/45/55/741034555.db2.gz CCGYNIOKJJZODT-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106467 741034558 /nfs/dbraw/zinc/03/45/58/741034558.db2.gz CCGYNIOKJJZODT-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170111 741083478 /nfs/dbraw/zinc/08/34/78/741083478.db2.gz FQHLCICZLWSLCU-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170111 741083481 /nfs/dbraw/zinc/08/34/81/741083481.db2.gz FQHLCICZLWSLCU-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170111 741083483 /nfs/dbraw/zinc/08/34/83/741083483.db2.gz FQHLCICZLWSLCU-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001088288548 741333084 /nfs/dbraw/zinc/33/30/84/741333084.db2.gz XQMMNFZUYNZEKZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001088288548 741333090 /nfs/dbraw/zinc/33/30/90/741333090.db2.gz XQMMNFZUYNZEKZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107981611 751631353 /nfs/dbraw/zinc/63/13/53/751631353.db2.gz AVHVARQFGQNWAW-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107981611 751631354 /nfs/dbraw/zinc/63/13/54/751631354.db2.gz AVHVARQFGQNWAW-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107981611 751631356 /nfs/dbraw/zinc/63/13/56/751631356.db2.gz AVHVARQFGQNWAW-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107981611 751631358 /nfs/dbraw/zinc/63/13/58/751631358.db2.gz AVHVARQFGQNWAW-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368613 741437704 /nfs/dbraw/zinc/43/77/04/741437704.db2.gz OGLWNHISCOZUIO-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368613 741437706 /nfs/dbraw/zinc/43/77/06/741437706.db2.gz OGLWNHISCOZUIO-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368975 741437909 /nfs/dbraw/zinc/43/79/09/741437909.db2.gz XRWFCVQZRPZQEO-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368975 741437911 /nfs/dbraw/zinc/43/79/11/741437911.db2.gz XRWFCVQZRPZQEO-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001088631454 742028710 /nfs/dbraw/zinc/02/87/10/742028710.db2.gz LOGFAYJEODIUMR-IKGGRYGDSA-N 2 1 303.450 1.629 20 30 DDEDMP C#CCCN1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC001168366557 742626159 /nfs/dbraw/zinc/62/61/59/742626159.db2.gz WCPYTAUIZVTEMF-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOc1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001204293494 743108921 /nfs/dbraw/zinc/10/89/21/743108921.db2.gz CVDPKFBAKKAFKZ-UHFFFAOYSA-N 2 1 303.450 1.931 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001151049026 743268480 /nfs/dbraw/zinc/26/84/80/743268480.db2.gz HOXIGIBGSNXTEF-OAHLLOKOSA-N 2 1 319.836 1.349 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108050009 743381451 /nfs/dbraw/zinc/38/14/51/743381451.db2.gz VCGKVMGQDTXBON-QGZVFWFLSA-N 2 1 321.465 1.398 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398534 743831829 /nfs/dbraw/zinc/83/18/29/743831829.db2.gz FJJZMSYRIWOFCO-RHSMWYFYSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184575474 744063997 /nfs/dbraw/zinc/06/39/97/744063997.db2.gz DILLTLMVWATDGQ-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185170511 744170752 /nfs/dbraw/zinc/17/07/52/744170752.db2.gz QDRGNGBYFUOBML-SJORKVTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035815051 751916640 /nfs/dbraw/zinc/91/66/40/751916640.db2.gz YHGFARDTJOGYJJ-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001089073782 744490819 /nfs/dbraw/zinc/49/08/19/744490819.db2.gz AAELLMIUGQBSGY-PBHICJAKSA-N 2 1 323.400 1.534 20 30 DDEDMP C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1Cc1cccc(C#N)c1 ZINC001089073782 744490820 /nfs/dbraw/zinc/49/08/20/744490820.db2.gz AAELLMIUGQBSGY-PBHICJAKSA-N 2 1 323.400 1.534 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989667 745660043 /nfs/dbraw/zinc/66/00/43/745660043.db2.gz ZOBROJKPVPCVTO-OAHLLOKOSA-N 2 1 303.406 1.511 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193462186 746109644 /nfs/dbraw/zinc/10/96/44/746109644.db2.gz LUEMHCBLAYJEMZ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193462186 746109646 /nfs/dbraw/zinc/10/96/46/746109646.db2.gz LUEMHCBLAYJEMZ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193462186 746109649 /nfs/dbraw/zinc/10/96/49/746109649.db2.gz LUEMHCBLAYJEMZ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026765 746256895 /nfs/dbraw/zinc/25/68/95/746256895.db2.gz KNOKBVPSXLDFHI-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046922698 746475197 /nfs/dbraw/zinc/47/51/97/746475197.db2.gz BPEVKNPNMKTKEV-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046922698 746475200 /nfs/dbraw/zinc/47/52/00/746475200.db2.gz BPEVKNPNMKTKEV-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046922698 746475203 /nfs/dbraw/zinc/47/52/03/746475203.db2.gz BPEVKNPNMKTKEV-UONOGXRCSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404226 746591675 /nfs/dbraw/zinc/59/16/75/746591675.db2.gz NVPPANXOXLXVRN-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404226 746591677 /nfs/dbraw/zinc/59/16/77/746591677.db2.gz NVPPANXOXLXVRN-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001195404226 746591679 /nfs/dbraw/zinc/59/16/79/746591679.db2.gz NVPPANXOXLXVRN-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404226 746591680 /nfs/dbraw/zinc/59/16/80/746591680.db2.gz NVPPANXOXLXVRN-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC=C)[C@@H]2C)CC1 ZINC000994496497 746692517 /nfs/dbraw/zinc/69/25/17/746692517.db2.gz HKTVPIYFTWSFKJ-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003010796 746904974 /nfs/dbraw/zinc/90/49/74/746904974.db2.gz LHXBVQYRURLQAR-QGZVFWFLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229825 747065265 /nfs/dbraw/zinc/06/52/65/747065265.db2.gz JHPUDXWOVALRJO-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641513 747534222 /nfs/dbraw/zinc/53/42/22/747534222.db2.gz NVUIOGSSDROAOI-SJORKVTESA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031930905 748237262 /nfs/dbraw/zinc/23/72/62/748237262.db2.gz CQHFUBXWNDNWKY-MRXNPFEDSA-N 2 1 316.449 1.768 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107037191 748802515 /nfs/dbraw/zinc/80/25/15/748802515.db2.gz WCYBUCBFOAEQPQ-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202503825 749009555 /nfs/dbraw/zinc/00/95/55/749009555.db2.gz NZTOXDLCNQXSJX-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001114445184 749219903 /nfs/dbraw/zinc/21/99/03/749219903.db2.gz LKUJODRXABQTHC-TWMKSMIVSA-N 2 1 314.433 1.540 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039321831 761934300 /nfs/dbraw/zinc/93/43/00/761934300.db2.gz SPRNIQHRXMHIEN-MQVJKMGUSA-N 2 1 300.406 1.326 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108352196 761971408 /nfs/dbraw/zinc/97/14/08/761971408.db2.gz UALIVTQYZZVNTG-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202772980 749733810 /nfs/dbraw/zinc/73/38/10/749733810.db2.gz WAKKNADJKHZCGK-KRWDZBQOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473405 750006891 /nfs/dbraw/zinc/00/68/91/750006891.db2.gz SIMCOWMADAEBFM-SJLPKXTDSA-N 2 1 314.433 1.576 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473405 750006893 /nfs/dbraw/zinc/00/68/93/750006893.db2.gz SIMCOWMADAEBFM-SJLPKXTDSA-N 2 1 314.433 1.576 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001111408405 750622631 /nfs/dbraw/zinc/62/26/31/750622631.db2.gz WVFVQZGHMSWUCS-OAGGEKHMSA-N 2 1 318.421 1.116 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408405 750622636 /nfs/dbraw/zinc/62/26/36/750622636.db2.gz WVFVQZGHMSWUCS-OAGGEKHMSA-N 2 1 318.421 1.116 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034715601 750753948 /nfs/dbraw/zinc/75/39/48/750753948.db2.gz SCZTUAKZOUXJKX-JYJNAYRXSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034715601 750753953 /nfs/dbraw/zinc/75/39/53/750753953.db2.gz SCZTUAKZOUXJKX-JYJNAYRXSA-N 2 1 309.454 1.299 20 30 DDEDMP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001032446333 750847800 /nfs/dbraw/zinc/84/78/00/750847800.db2.gz ZICCXPFMBPENLV-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001032446333 750847811 /nfs/dbraw/zinc/84/78/11/750847811.db2.gz ZICCXPFMBPENLV-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001032446333 750847820 /nfs/dbraw/zinc/84/78/20/750847820.db2.gz ZICCXPFMBPENLV-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001032446333 750847828 /nfs/dbraw/zinc/84/78/28/750847828.db2.gz ZICCXPFMBPENLV-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001032446333 750847834 /nfs/dbraw/zinc/84/78/34/750847834.db2.gz ZICCXPFMBPENLV-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997434229 750913759 /nfs/dbraw/zinc/91/37/59/750913759.db2.gz IAJQQJSZNVTUEC-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997434229 750913761 /nfs/dbraw/zinc/91/37/61/750913761.db2.gz IAJQQJSZNVTUEC-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)CC2(CCOCC2)C1 ZINC001099596539 750922246 /nfs/dbraw/zinc/92/22/46/750922246.db2.gz GCHSIBGWCXPXSR-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)CC2(CCOCC2)C1 ZINC001099596539 750922253 /nfs/dbraw/zinc/92/22/53/750922253.db2.gz GCHSIBGWCXPXSR-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001114733312 751035372 /nfs/dbraw/zinc/03/53/72/751035372.db2.gz ZAPKLLGRFMKKIL-SMLCLMEVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114733312 751035383 /nfs/dbraw/zinc/03/53/83/751035383.db2.gz ZAPKLLGRFMKKIL-SMLCLMEVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001114733312 751035390 /nfs/dbraw/zinc/03/53/90/751035390.db2.gz ZAPKLLGRFMKKIL-SMLCLMEVSA-N 2 1 305.466 1.729 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997595398 751142175 /nfs/dbraw/zinc/14/21/75/751142175.db2.gz CCSGCLKYXVBMHR-ZMSDIMECSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997643089 751175802 /nfs/dbraw/zinc/17/58/02/751175802.db2.gz ZBCUZTAWKYXIJZ-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114840643 751198437 /nfs/dbraw/zinc/19/84/37/751198437.db2.gz MRFROTBAAVOWLK-QLPKVWCKSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114840643 751198441 /nfs/dbraw/zinc/19/84/41/751198441.db2.gz MRFROTBAAVOWLK-QLPKVWCKSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114840643 751198444 /nfs/dbraw/zinc/19/84/44/751198444.db2.gz MRFROTBAAVOWLK-QLPKVWCKSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040494600 752616900 /nfs/dbraw/zinc/61/69/00/752616900.db2.gz XZXRPPXSYITCCN-QGZVFWFLSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999291071 752793124 /nfs/dbraw/zinc/79/31/24/752793124.db2.gz ONOVELIOQYCOLR-VMWRSERWSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001009634939 753291877 /nfs/dbraw/zinc/29/18/77/753291877.db2.gz JNMNDIJAFURXER-QGZVFWFLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183161 753618595 /nfs/dbraw/zinc/61/85/95/753618595.db2.gz YJNGATXQIKWVEN-RDJZCZTQSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206007095 762340915 /nfs/dbraw/zinc/34/09/15/762340915.db2.gz YHNFGNVDBGDPQO-GOSISDBHSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040496970 762563258 /nfs/dbraw/zinc/56/32/58/762563258.db2.gz NTUQINIRASRMDM-GOSISDBHSA-N 2 1 317.477 1.973 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084521514 757635424 /nfs/dbraw/zinc/63/54/24/757635424.db2.gz IZVYGBKNDAFQKZ-RHSMWYFYSA-N 2 1 308.385 1.504 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084521514 757635429 /nfs/dbraw/zinc/63/54/29/757635429.db2.gz IZVYGBKNDAFQKZ-RHSMWYFYSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052763983 757739479 /nfs/dbraw/zinc/73/94/79/757739479.db2.gz KRBRVXDXANLSDE-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763983 757739486 /nfs/dbraw/zinc/73/94/86/757739486.db2.gz KRBRVXDXANLSDE-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763983 757739493 /nfs/dbraw/zinc/73/94/93/757739493.db2.gz KRBRVXDXANLSDE-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662990 757751355 /nfs/dbraw/zinc/75/13/55/757751355.db2.gz GVZDDCRZZXIUGR-IIDMSEBBSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662990 757751357 /nfs/dbraw/zinc/75/13/57/757751357.db2.gz GVZDDCRZZXIUGR-IIDMSEBBSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662990 757751363 /nfs/dbraw/zinc/75/13/63/757751363.db2.gz GVZDDCRZZXIUGR-IIDMSEBBSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662990 757751368 /nfs/dbraw/zinc/75/13/68/757751368.db2.gz GVZDDCRZZXIUGR-IIDMSEBBSA-N 2 1 321.440 1.365 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)C[C@@H]21 ZINC001085036949 758171449 /nfs/dbraw/zinc/17/14/49/758171449.db2.gz VISULJRUENIHKS-ANQUJSFKSA-N 2 1 314.433 1.632 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)CO2 ZINC001053926229 758962237 /nfs/dbraw/zinc/96/22/37/758962237.db2.gz ZMJHYDOIJOXHKE-HNNXBMFYSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)CO2 ZINC001053926229 758962241 /nfs/dbraw/zinc/96/22/41/758962241.db2.gz ZMJHYDOIJOXHKE-HNNXBMFYSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053927144 758964145 /nfs/dbraw/zinc/96/41/45/758964145.db2.gz UFZLKXCKFFEMIS-CABCVRRESA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001053927144 758964149 /nfs/dbraw/zinc/96/41/49/758964149.db2.gz UFZLKXCKFFEMIS-CABCVRRESA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191769 759277306 /nfs/dbraw/zinc/27/73/06/759277306.db2.gz MBEHZRBKYWXFIC-AEFFLSMTSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209057 759294067 /nfs/dbraw/zinc/29/40/67/759294067.db2.gz HKLISYBCWXEIHG-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001054244002 759335048 /nfs/dbraw/zinc/33/50/48/759335048.db2.gz SAFDHJSGQQXJBR-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001054244002 759335056 /nfs/dbraw/zinc/33/50/56/759335056.db2.gz SAFDHJSGQQXJBR-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001054244002 759335067 /nfs/dbraw/zinc/33/50/67/759335067.db2.gz SAFDHJSGQQXJBR-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001054244002 759335071 /nfs/dbraw/zinc/33/50/71/759335071.db2.gz SAFDHJSGQQXJBR-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001018962620 759453985 /nfs/dbraw/zinc/45/39/85/759453985.db2.gz HNIKUEVFZMFLIQ-CABCVRRESA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001054827887 760115213 /nfs/dbraw/zinc/11/52/13/760115213.db2.gz YPIVLJGEJDWPTP-HOCLYGCPSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974577 760320731 /nfs/dbraw/zinc/32/07/31/760320731.db2.gz REANEBRXFVHQOD-ZJPYXAASSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974577 760320742 /nfs/dbraw/zinc/32/07/42/760320742.db2.gz REANEBRXFVHQOD-ZJPYXAASSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974577 760320749 /nfs/dbraw/zinc/32/07/49/760320749.db2.gz REANEBRXFVHQOD-ZJPYXAASSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974577 760320759 /nfs/dbraw/zinc/32/07/59/760320759.db2.gz REANEBRXFVHQOD-ZJPYXAASSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CC3)C2)CC1 ZINC001046850330 767983565 /nfs/dbraw/zinc/98/35/65/767983565.db2.gz SMFQWKZSJGQGHB-IBGZPJMESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+](CCO)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001098410623 761049549 /nfs/dbraw/zinc/04/95/49/761049549.db2.gz RCPUNWAPCBLJPR-UHFFFAOYSA-N 2 1 323.481 1.025 20 30 DDEDMP C#CCC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001098410623 761049557 /nfs/dbraw/zinc/04/95/57/761049557.db2.gz RCPUNWAPCBLJPR-UHFFFAOYSA-N 2 1 323.481 1.025 20 30 DDEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001098410623 761049566 /nfs/dbraw/zinc/04/95/66/761049566.db2.gz RCPUNWAPCBLJPR-UHFFFAOYSA-N 2 1 323.481 1.025 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000198149 761569477 /nfs/dbraw/zinc/56/94/77/761569477.db2.gz KQBKWTHSIBXFTE-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000203424 761569827 /nfs/dbraw/zinc/56/98/27/761569827.db2.gz WRAOSVXOBURFEX-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039172635 761794880 /nfs/dbraw/zinc/79/48/80/761794880.db2.gz AGADOWUSRATXHP-SFHVURJKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040937292 762737961 /nfs/dbraw/zinc/73/79/61/762737961.db2.gz XXMRINVXBIPWQD-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041277244 762928111 /nfs/dbraw/zinc/92/81/11/762928111.db2.gz OGBHKFWOSAMEQZ-FUHWJXTLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041277244 762928115 /nfs/dbraw/zinc/92/81/15/762928115.db2.gz OGBHKFWOSAMEQZ-FUHWJXTLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041277244 762928119 /nfs/dbraw/zinc/92/81/19/762928119.db2.gz OGBHKFWOSAMEQZ-FUHWJXTLSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047290 763060037 /nfs/dbraw/zinc/06/00/37/763060037.db2.gz VXRIYYWBEISKFJ-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050047290 763060040 /nfs/dbraw/zinc/06/00/40/763060040.db2.gz VXRIYYWBEISKFJ-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050047290 763060045 /nfs/dbraw/zinc/06/00/45/763060045.db2.gz VXRIYYWBEISKFJ-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063811 763079007 /nfs/dbraw/zinc/07/90/07/763079007.db2.gz WAAGEUQTMZRAKW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063811 763079015 /nfs/dbraw/zinc/07/90/15/763079015.db2.gz WAAGEUQTMZRAKW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063811 763079021 /nfs/dbraw/zinc/07/90/21/763079021.db2.gz WAAGEUQTMZRAKW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068651 763085825 /nfs/dbraw/zinc/08/58/25/763085825.db2.gz BSXUWGVICMKBLY-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068651 763085827 /nfs/dbraw/zinc/08/58/27/763085827.db2.gz BSXUWGVICMKBLY-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001050068651 763085833 /nfs/dbraw/zinc/08/58/33/763085833.db2.gz BSXUWGVICMKBLY-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041599582 763169923 /nfs/dbraw/zinc/16/99/23/763169923.db2.gz HYTUWPUFHWGVMN-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC001041599582 763169931 /nfs/dbraw/zinc/16/99/31/763169931.db2.gz HYTUWPUFHWGVMN-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041599582 763169937 /nfs/dbraw/zinc/16/99/37/763169937.db2.gz HYTUWPUFHWGVMN-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001050923597 764287444 /nfs/dbraw/zinc/28/74/44/764287444.db2.gz RXFLHNUATPOWMF-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001050923597 764287449 /nfs/dbraw/zinc/28/74/49/764287449.db2.gz RXFLHNUATPOWMF-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050923597 764287456 /nfs/dbraw/zinc/28/74/56/764287456.db2.gz RXFLHNUATPOWMF-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050923597 764287460 /nfs/dbraw/zinc/28/74/60/764287460.db2.gz RXFLHNUATPOWMF-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001112570811 764413213 /nfs/dbraw/zinc/41/32/13/764413213.db2.gz QEVQEBYAPHBWOE-WDSOQIARSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462298 764888296 /nfs/dbraw/zinc/88/82/96/764888296.db2.gz NBLATOLMNINSOH-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131682624 768258863 /nfs/dbraw/zinc/25/88/63/768258863.db2.gz QXWCRLDQHDHWMI-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439057 765828878 /nfs/dbraw/zinc/82/88/78/765828878.db2.gz HNIVYBGBLGAJGL-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439057 765828885 /nfs/dbraw/zinc/82/88/85/765828885.db2.gz HNIVYBGBLGAJGL-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533467 766383669 /nfs/dbraw/zinc/38/36/69/766383669.db2.gz LLFDTQVQXRKPBP-OAHLLOKOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533467 766383679 /nfs/dbraw/zinc/38/36/79/766383679.db2.gz LLFDTQVQXRKPBP-OAHLLOKOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130416868 767520678 /nfs/dbraw/zinc/52/06/78/767520678.db2.gz BXUYAEBTFVRWSF-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001130418949 767522422 /nfs/dbraw/zinc/52/24/22/767522422.db2.gz DGUXEWKHEHEIQK-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001047443320 768480799 /nfs/dbraw/zinc/48/07/99/768480799.db2.gz RSXJRDKCZILSKX-HOTGVXAUSA-N 2 1 321.465 1.085 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121397 769512351 /nfs/dbraw/zinc/51/23/51/769512351.db2.gz HTXASLGGASLRTE-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818734 769940529 /nfs/dbraw/zinc/94/05/29/769940529.db2.gz LQOPKUZKHBIXFE-ZJPYXAASSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818734 769940534 /nfs/dbraw/zinc/94/05/34/769940534.db2.gz LQOPKUZKHBIXFE-ZJPYXAASSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818734 769940538 /nfs/dbraw/zinc/94/05/38/769940538.db2.gz LQOPKUZKHBIXFE-ZJPYXAASSA-N 2 1 315.461 1.274 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059154 770308401 /nfs/dbraw/zinc/30/84/01/770308401.db2.gz BNHHDEQVLMKFKY-REBRKWNGSA-N 2 1 311.857 1.327 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059154 770308411 /nfs/dbraw/zinc/30/84/11/770308411.db2.gz BNHHDEQVLMKFKY-REBRKWNGSA-N 2 1 311.857 1.327 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059154 770308421 /nfs/dbraw/zinc/30/84/21/770308421.db2.gz BNHHDEQVLMKFKY-REBRKWNGSA-N 2 1 311.857 1.327 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001133833863 770316436 /nfs/dbraw/zinc/31/64/36/770316436.db2.gz HYQLKLUPRYHLGZ-ZDUSSCGKSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049100927 770376562 /nfs/dbraw/zinc/37/65/62/770376562.db2.gz UNDZACRNVKFIFP-CALCHBBNSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCF)C2)CC1 ZINC001072096330 770537537 /nfs/dbraw/zinc/53/75/37/770537537.db2.gz XNANPCHPKAOYGV-ZBFHGGJFSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCF)C2)CC1 ZINC001072096330 770537541 /nfs/dbraw/zinc/53/75/41/770537541.db2.gz XNANPCHPKAOYGV-ZBFHGGJFSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCF)C2)CC1 ZINC001072099667 770541917 /nfs/dbraw/zinc/54/19/17/770541917.db2.gz VKSMOGJJGCNVRQ-DOTOQJQBSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049476081 770904397 /nfs/dbraw/zinc/90/43/97/770904397.db2.gz BWFAIXPCUXTJPK-BRWVUGGUSA-N 2 1 301.434 1.027 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516804 770961075 /nfs/dbraw/zinc/96/10/75/770961075.db2.gz GFDUPGRTEOGKSR-HOTGVXAUSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688871 771089186 /nfs/dbraw/zinc/08/91/86/771089186.db2.gz XDDUKZIVURCKQX-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718762 771111639 /nfs/dbraw/zinc/11/16/39/771111639.db2.gz NJIQUVPEJKPMSE-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718762 771111640 /nfs/dbraw/zinc/11/16/40/771111640.db2.gz NJIQUVPEJKPMSE-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718762 771111641 /nfs/dbraw/zinc/11/16/41/771111641.db2.gz NJIQUVPEJKPMSE-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846248 771203390 /nfs/dbraw/zinc/20/33/90/771203390.db2.gz GUNTUHALCYATGX-DLBZAZTESA-N 2 1 312.417 1.460 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021355 771282234 /nfs/dbraw/zinc/28/22/34/771282234.db2.gz NGSKARIMRPYPEZ-KGLIPLIRSA-N 2 1 302.422 1.268 20 30 DDEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471537 771527564 /nfs/dbraw/zinc/52/75/64/771527564.db2.gz NWPLACWEVLJYFO-KBPBESRZSA-N 2 1 320.437 1.943 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085831 771617489 /nfs/dbraw/zinc/61/74/89/771617489.db2.gz QMXBKOVHSJPGCJ-VQHPVUNQSA-N 2 1 303.450 1.626 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135995326 771825200 /nfs/dbraw/zinc/82/52/00/771825200.db2.gz CWUHLEZOIZOUBY-CVEARBPZSA-N 2 1 311.470 1.241 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110104435 771986098 /nfs/dbraw/zinc/98/60/98/771986098.db2.gz VKXJKKHEBLKIGI-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110104435 771986101 /nfs/dbraw/zinc/98/61/01/771986101.db2.gz VKXJKKHEBLKIGI-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](O)C1 ZINC001090649425 772074047 /nfs/dbraw/zinc/07/40/47/772074047.db2.gz DNTGVHKNRJJWPK-IAGOWNOFSA-N 2 1 317.433 1.099 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146334708 772842096 /nfs/dbraw/zinc/84/20/96/772842096.db2.gz ZRUPXWCHYPAYGH-KGLIPLIRSA-N 2 1 308.426 1.267 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666788 773267341 /nfs/dbraw/zinc/26/73/41/773267341.db2.gz GBTNKUOFBJTPOB-AOIWGVFYSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073672691 773288219 /nfs/dbraw/zinc/28/82/19/773288219.db2.gz PMJJJNJHIFNTFR-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001073672691 773288223 /nfs/dbraw/zinc/28/82/23/773288223.db2.gz PMJJJNJHIFNTFR-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001073672691 773288228 /nfs/dbraw/zinc/28/82/28/773288228.db2.gz PMJJJNJHIFNTFR-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677199 773345797 /nfs/dbraw/zinc/34/57/97/773345797.db2.gz MBQIFMNCDPSNGG-AOIWGVFYSA-N 2 1 315.461 1.132 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801389 773423943 /nfs/dbraw/zinc/42/39/43/773423943.db2.gz KBGLVEIYFVULCL-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801389 773423945 /nfs/dbraw/zinc/42/39/45/773423945.db2.gz KBGLVEIYFVULCL-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801389 773423946 /nfs/dbraw/zinc/42/39/46/773423946.db2.gz KBGLVEIYFVULCL-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091734966 773529464 /nfs/dbraw/zinc/52/94/64/773529464.db2.gz DHAOAQHDSNZECF-WBVHZDCISA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839228 773612445 /nfs/dbraw/zinc/61/24/45/773612445.db2.gz MSSPDFRXSKZGKV-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203103 774004915 /nfs/dbraw/zinc/00/49/15/774004915.db2.gz CXIFHRKDDUVQEP-WBVHZDCISA-N 2 1 303.450 1.439 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276370 774040205 /nfs/dbraw/zinc/04/02/05/774040205.db2.gz NENFSLSBWXGCDX-WBVHZDCISA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092276370 774040209 /nfs/dbraw/zinc/04/02/09/774040209.db2.gz NENFSLSBWXGCDX-WBVHZDCISA-N 2 1 302.422 1.548 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092286725 774061472 /nfs/dbraw/zinc/06/14/72/774061472.db2.gz JXTJKUOSKZRDOB-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092286725 774061481 /nfs/dbraw/zinc/06/14/81/774061481.db2.gz JXTJKUOSKZRDOB-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092286725 774061483 /nfs/dbraw/zinc/06/14/83/774061483.db2.gz JXTJKUOSKZRDOB-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092286725 774061489 /nfs/dbraw/zinc/06/14/89/774061489.db2.gz JXTJKUOSKZRDOB-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001074837464 774177834 /nfs/dbraw/zinc/17/78/34/774177834.db2.gz HHRIDAFTRXJPON-QRTARXTBSA-N 2 1 316.449 1.909 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773921 774569524 /nfs/dbraw/zinc/56/95/24/774569524.db2.gz VYIIZEHOTAOFQR-QAPCUYQASA-N 2 1 322.412 1.894 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036809139 774673288 /nfs/dbraw/zinc/67/32/88/774673288.db2.gz FYNGUSRWKFKXCO-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106549 774837199 /nfs/dbraw/zinc/83/71/99/774837199.db2.gz IROKXZKMFGUKOH-HZPDHXFCSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099527996 775017923 /nfs/dbraw/zinc/01/79/23/775017923.db2.gz FQOAHUAMQSVJHE-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099527333 775018271 /nfs/dbraw/zinc/01/82/71/775018271.db2.gz DMXMQFHRAVIXRF-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899139 775397908 /nfs/dbraw/zinc/39/79/08/775397908.db2.gz NHTOSJNUFQUHQL-HUUCEWRRSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899139 775397916 /nfs/dbraw/zinc/39/79/16/775397916.db2.gz NHTOSJNUFQUHQL-HUUCEWRRSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899139 775397925 /nfs/dbraw/zinc/39/79/25/775397925.db2.gz NHTOSJNUFQUHQL-HUUCEWRRSA-N 2 1 311.470 1.234 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496613 775914499 /nfs/dbraw/zinc/91/44/99/775914499.db2.gz CKMWRTCYUMASNV-IMBTUZDBSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496613 775914504 /nfs/dbraw/zinc/91/45/04/775914504.db2.gz CKMWRTCYUMASNV-IMBTUZDBSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001094496613 775914511 /nfs/dbraw/zinc/91/45/11/775914511.db2.gz CKMWRTCYUMASNV-IMBTUZDBSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001094583030 776056836 /nfs/dbraw/zinc/05/68/36/776056836.db2.gz MIZSINDSKZMURV-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001094583030 776056838 /nfs/dbraw/zinc/05/68/38/776056838.db2.gz MIZSINDSKZMURV-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094583030 776056843 /nfs/dbraw/zinc/05/68/43/776056843.db2.gz MIZSINDSKZMURV-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094583030 776056847 /nfs/dbraw/zinc/05/68/47/776056847.db2.gz MIZSINDSKZMURV-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903515 776080149 /nfs/dbraw/zinc/08/01/49/776080149.db2.gz BMROVSJYOHPHIR-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161442 776204538 /nfs/dbraw/zinc/20/45/38/776204538.db2.gz FKYRXWYPEJNGEX-QZWWFDLISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161442 776204547 /nfs/dbraw/zinc/20/45/47/776204547.db2.gz FKYRXWYPEJNGEX-QZWWFDLISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189138 777921679 /nfs/dbraw/zinc/92/16/79/777921679.db2.gz XVPCETPFRSRPMI-KBAYOESNSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606054 778169793 /nfs/dbraw/zinc/16/97/93/778169793.db2.gz BAQQBCRKYZFESF-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601514 778233755 /nfs/dbraw/zinc/23/37/55/778233755.db2.gz GSTROYAEWTXIFG-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177089959 778442828 /nfs/dbraw/zinc/44/28/28/778442828.db2.gz XNSQOMNAQJDEAO-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177089959 778442833 /nfs/dbraw/zinc/44/28/33/778442833.db2.gz XNSQOMNAQJDEAO-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185289 779358910 /nfs/dbraw/zinc/35/89/10/779358910.db2.gz BVZWGXMTXJNEHY-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115344297 780055155 /nfs/dbraw/zinc/05/51/55/780055155.db2.gz UYIJAVMYAGJXSL-DZFIZOCASA-N 2 1 311.429 1.188 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115344297 780055164 /nfs/dbraw/zinc/05/51/64/780055164.db2.gz UYIJAVMYAGJXSL-DZFIZOCASA-N 2 1 311.429 1.188 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115344297 780055174 /nfs/dbraw/zinc/05/51/74/780055174.db2.gz UYIJAVMYAGJXSL-DZFIZOCASA-N 2 1 311.429 1.188 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115344297 780055185 /nfs/dbraw/zinc/05/51/85/780055185.db2.gz UYIJAVMYAGJXSL-DZFIZOCASA-N 2 1 311.429 1.188 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC)CCCCC1 ZINC001115578090 780246812 /nfs/dbraw/zinc/24/68/12/780246812.db2.gz YQONKJMTCGXNRL-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC)CCCCC1 ZINC001115578090 780246820 /nfs/dbraw/zinc/24/68/20/780246820.db2.gz YQONKJMTCGXNRL-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267174744 837470408 /nfs/dbraw/zinc/47/04/08/837470408.db2.gz KLUXOWYEISYQFQ-DLBZAZTESA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267208669 837538113 /nfs/dbraw/zinc/53/81/13/837538113.db2.gz VFAMNQWEZIFYTH-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267302902 837785594 /nfs/dbraw/zinc/78/55/94/837785594.db2.gz IQUZWYKSCYXOSY-QAPCUYQASA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267302902 837785608 /nfs/dbraw/zinc/78/56/08/837785608.db2.gz IQUZWYKSCYXOSY-QAPCUYQASA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267302902 837785617 /nfs/dbraw/zinc/78/56/17/837785617.db2.gz IQUZWYKSCYXOSY-QAPCUYQASA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001267324756 837829090 /nfs/dbraw/zinc/82/90/90/837829090.db2.gz SQPOEEVPGYEBEF-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001267324756 837829104 /nfs/dbraw/zinc/82/91/04/837829104.db2.gz SQPOEEVPGYEBEF-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001267324756 837829112 /nfs/dbraw/zinc/82/91/12/837829112.db2.gz SQPOEEVPGYEBEF-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001266361389 836171877 /nfs/dbraw/zinc/17/18/77/836171877.db2.gz MEIBBZCRUHPSKD-OOFWQKGWSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@@H+](C)CCF)C2)CC1 ZINC001266472255 836311635 /nfs/dbraw/zinc/31/16/35/836311635.db2.gz GJUHWPVGCPLSDS-MRXNPFEDSA-N 2 1 323.456 1.472 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001271904310 844196726 /nfs/dbraw/zinc/19/67/26/844196726.db2.gz ZVINPSZIMHVXQC-RHSMWYFYSA-N 2 1 311.445 1.563 20 30 DDEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266988006 837153844 /nfs/dbraw/zinc/15/38/44/837153844.db2.gz BWMIJFKJZCZHJB-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cscn2)CC1 ZINC001267117755 837384358 /nfs/dbraw/zinc/38/43/58/837384358.db2.gz XDIOKMKYHKOVBY-UHFFFAOYSA-N 2 1 320.462 1.036 20 30 DDEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267469077 838120505 /nfs/dbraw/zinc/12/05/05/838120505.db2.gz HABPZEJPQPVMQP-OAHLLOKOSA-N 2 1 318.396 1.197 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267568106 838322192 /nfs/dbraw/zinc/32/21/92/838322192.db2.gz RWHYVHYSUHUGPL-HNNXBMFYSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267568106 838322200 /nfs/dbraw/zinc/32/22/00/838322200.db2.gz RWHYVHYSUHUGPL-HNNXBMFYSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCC)C1 ZINC001267657587 838595773 /nfs/dbraw/zinc/59/57/73/838595773.db2.gz AFQVCUGQCFZHFW-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCC)C1 ZINC001267657587 838595778 /nfs/dbraw/zinc/59/57/78/838595778.db2.gz AFQVCUGQCFZHFW-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC)C1 ZINC001267657587 838595784 /nfs/dbraw/zinc/59/57/84/838595784.db2.gz AFQVCUGQCFZHFW-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC)C1 ZINC001267657587 838595790 /nfs/dbraw/zinc/59/57/90/838595790.db2.gz AFQVCUGQCFZHFW-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001267945393 839240391 /nfs/dbraw/zinc/24/03/91/839240391.db2.gz IZEPRLUTLLWZBI-UHFFFAOYSA-N 2 1 302.422 1.433 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001268226627 839859401 /nfs/dbraw/zinc/85/94/01/839859401.db2.gz CABFSHQONDWIQC-JKSUJKDBSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001268226627 839859407 /nfs/dbraw/zinc/85/94/07/839859407.db2.gz CABFSHQONDWIQC-JKSUJKDBSA-N 2 1 311.470 1.404 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001268575422 840471039 /nfs/dbraw/zinc/47/10/39/840471039.db2.gz PFNZQQOWPXVOAC-BAHPRDJBSA-N 2 1 312.417 1.414 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCF)CC1 ZINC001270295584 842464320 /nfs/dbraw/zinc/46/43/20/842464320.db2.gz CTMJLELEDBIYNL-MRXNPFEDSA-N 2 1 309.429 1.366 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001270681694 842813931 /nfs/dbraw/zinc/81/39/31/842813931.db2.gz CIZSRSWPWVRETN-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001328810969 863246238 /nfs/dbraw/zinc/24/62/38/863246238.db2.gz ZWHMXMQNWBGZJW-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001328810969 863246247 /nfs/dbraw/zinc/24/62/47/863246247.db2.gz ZWHMXMQNWBGZJW-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001328810969 863246256 /nfs/dbraw/zinc/24/62/56/863246256.db2.gz ZWHMXMQNWBGZJW-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N2CCCC2)cc1 ZINC001327030451 861812123 /nfs/dbraw/zinc/81/21/23/861812123.db2.gz APRVJSQXLYFKGK-UHFFFAOYSA-N 2 1 316.449 1.933 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001005518491 848069094 /nfs/dbraw/zinc/06/90/94/848069094.db2.gz MRYXLURXXNPYEH-WBVHZDCISA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001005518491 848069096 /nfs/dbraw/zinc/06/90/96/848069096.db2.gz MRYXLURXXNPYEH-WBVHZDCISA-N 2 1 321.465 1.042 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001034365193 848421487 /nfs/dbraw/zinc/42/14/87/848421487.db2.gz YPLGXLRICGYQCZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365193 848421491 /nfs/dbraw/zinc/42/14/91/848421491.db2.gz YPLGXLRICGYQCZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365193 848421493 /nfs/dbraw/zinc/42/14/93/848421493.db2.gz YPLGXLRICGYQCZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365193 848421495 /nfs/dbraw/zinc/42/14/95/848421495.db2.gz YPLGXLRICGYQCZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365193 848421498 /nfs/dbraw/zinc/42/14/98/848421498.db2.gz YPLGXLRICGYQCZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001034365277 848421547 /nfs/dbraw/zinc/42/15/47/848421547.db2.gz ZIXGCVNANUZIHV-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365277 848421548 /nfs/dbraw/zinc/42/15/48/848421548.db2.gz ZIXGCVNANUZIHV-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365277 848421551 /nfs/dbraw/zinc/42/15/51/848421551.db2.gz ZIXGCVNANUZIHV-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365277 848421553 /nfs/dbraw/zinc/42/15/53/848421553.db2.gz ZIXGCVNANUZIHV-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365277 848421556 /nfs/dbraw/zinc/42/15/56/848421556.db2.gz ZIXGCVNANUZIHV-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149849713 861941522 /nfs/dbraw/zinc/94/15/22/861941522.db2.gz UXYCPINOLJHUHX-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001327462374 862192717 /nfs/dbraw/zinc/19/27/17/862192717.db2.gz SIIRWRKRKZZZMV-UHFFFAOYSA-N 2 1 318.421 1.344 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273863487 851435890 /nfs/dbraw/zinc/43/58/90/851435890.db2.gz LQDCFAYFOKEPCK-BZUAXINKSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C ZINC001273863487 851435891 /nfs/dbraw/zinc/43/58/91/851435891.db2.gz LQDCFAYFOKEPCK-BZUAXINKSA-N 2 1 323.481 1.377 20 30 DDEDMP C#CCC[NH2+]C1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001274351715 852179619 /nfs/dbraw/zinc/17/96/19/852179619.db2.gz WCBKMNZHUQAZBU-UHFFFAOYSA-N 2 1 318.421 1.344 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001155789173 862448703 /nfs/dbraw/zinc/44/87/03/862448703.db2.gz AJWUUCSWNXFIEV-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CCCC[NH+]1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001275975352 854055921 /nfs/dbraw/zinc/05/59/21/854055921.db2.gz SPRSQURHXQBDDW-INIZCTEOSA-N 2 1 301.434 1.171 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001151147406 862650880 /nfs/dbraw/zinc/65/08/80/862650880.db2.gz MHBZSVRVENHCIU-UHFFFAOYSA-N 2 1 315.352 1.108 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001276300174 855223729 /nfs/dbraw/zinc/22/37/29/855223729.db2.gz PNHTZCBOCDUNMN-JKSUJKDBSA-N 2 1 311.445 1.660 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072731884 857648054 /nfs/dbraw/zinc/64/80/54/857648054.db2.gz QHRQSKXHXBUETG-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072731884 857648061 /nfs/dbraw/zinc/64/80/61/857648061.db2.gz QHRQSKXHXBUETG-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072731884 857648073 /nfs/dbraw/zinc/64/80/73/857648073.db2.gz QHRQSKXHXBUETG-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732655 857649921 /nfs/dbraw/zinc/64/99/21/857649921.db2.gz SIVQODKTYDDMEY-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732655 857649925 /nfs/dbraw/zinc/64/99/25/857649925.db2.gz SIVQODKTYDDMEY-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732655 857649930 /nfs/dbraw/zinc/64/99/30/857649930.db2.gz SIVQODKTYDDMEY-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073461291 858356273 /nfs/dbraw/zinc/35/62/73/858356273.db2.gz BTAAVAYDLMMRNP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073461291 858356275 /nfs/dbraw/zinc/35/62/75/858356275.db2.gz BTAAVAYDLMMRNP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073461291 858356278 /nfs/dbraw/zinc/35/62/78/858356278.db2.gz BTAAVAYDLMMRNP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC001121904071 858627887 /nfs/dbraw/zinc/62/78/87/858627887.db2.gz QLYRFKCCUVDKQV-HNNXBMFYSA-N 2 1 313.405 1.876 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001203072095 860713975 /nfs/dbraw/zinc/71/39/75/860713975.db2.gz RZFSFONPQAHFSF-UHFFFAOYSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161219734 860954697 /nfs/dbraw/zinc/95/46/97/860954697.db2.gz NFELSRHARUSPRB-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219734 860954704 /nfs/dbraw/zinc/95/47/04/860954704.db2.gz NFELSRHARUSPRB-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161219734 860954715 /nfs/dbraw/zinc/95/47/15/860954715.db2.gz NFELSRHARUSPRB-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001328647215 863127720 /nfs/dbraw/zinc/12/77/20/863127720.db2.gz LHBSJQUKOBYRLY-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001328808121 863244649 /nfs/dbraw/zinc/24/46/49/863244649.db2.gz NMEGJKNZGXNMGJ-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001225251332 881740933 /nfs/dbraw/zinc/74/09/33/881740933.db2.gz CIJNLDSNWHINEA-UHFFFAOYSA-N 2 1 311.470 1.359 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158474448 864676716 /nfs/dbraw/zinc/67/67/16/864676716.db2.gz ZKBROWQIJVRDSN-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158474448 864676724 /nfs/dbraw/zinc/67/67/24/864676724.db2.gz ZKBROWQIJVRDSN-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158474448 864676731 /nfs/dbraw/zinc/67/67/31/864676731.db2.gz ZKBROWQIJVRDSN-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159839359 865554975 /nfs/dbraw/zinc/55/49/75/865554975.db2.gz ZEASVHPJLDTGRL-MRXNPFEDSA-N 2 1 311.470 1.263 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131792 865689147 /nfs/dbraw/zinc/68/91/47/865689147.db2.gz VTEPIVHDSOURFV-ROUUACIJSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131792 865689153 /nfs/dbraw/zinc/68/91/53/865689153.db2.gz VTEPIVHDSOURFV-ROUUACIJSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131792 865689157 /nfs/dbraw/zinc/68/91/57/865689157.db2.gz VTEPIVHDSOURFV-ROUUACIJSA-N 2 1 315.461 1.632 20 30 DDEDMP CC#CC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160683429 866020061 /nfs/dbraw/zinc/02/00/61/866020061.db2.gz QVIALCKMCIDKAZ-UHFFFAOYSA-N 2 1 300.406 1.353 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160683429 866020077 /nfs/dbraw/zinc/02/00/77/866020077.db2.gz QVIALCKMCIDKAZ-UHFFFAOYSA-N 2 1 300.406 1.353 20 30 DDEDMP N#Cc1cncc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c1 ZINC001160994915 866256979 /nfs/dbraw/zinc/25/69/79/866256979.db2.gz BKRNNKCSWSCLRT-UHFFFAOYSA-N 2 1 309.377 1.283 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161030114 866292656 /nfs/dbraw/zinc/29/26/56/866292656.db2.gz WVYUNNODGHSIKG-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029987 866294367 /nfs/dbraw/zinc/29/43/67/866294367.db2.gz RXKNNVQQIRCOSJ-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001323733523 866804726 /nfs/dbraw/zinc/80/47/26/866804726.db2.gz JJYJEGJQCRHKEI-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001323733523 866804745 /nfs/dbraw/zinc/80/47/45/866804745.db2.gz JJYJEGJQCRHKEI-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001323733523 866804768 /nfs/dbraw/zinc/80/47/68/866804768.db2.gz JJYJEGJQCRHKEI-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)(COC)CC1 ZINC001162603907 867672246 /nfs/dbraw/zinc/67/22/46/867672246.db2.gz CEASWHVXUBGOAM-UHFFFAOYSA-N 2 1 320.437 1.222 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001162605785 867674632 /nfs/dbraw/zinc/67/46/32/867674632.db2.gz HXYYNJIQQZQPOM-UHFFFAOYSA-N 2 1 311.389 1.359 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596941 869315480 /nfs/dbraw/zinc/31/54/80/869315480.db2.gz UEDWETPXRAJLJR-CVEARBPZSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC001337652141 869580274 /nfs/dbraw/zinc/58/02/74/869580274.db2.gz UZHOAHYALPWPIP-INIZCTEOSA-N 2 1 308.470 1.502 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC001337652141 869580280 /nfs/dbraw/zinc/58/02/80/869580280.db2.gz UZHOAHYALPWPIP-INIZCTEOSA-N 2 1 308.470 1.502 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001166708512 870180097 /nfs/dbraw/zinc/18/00/97/870180097.db2.gz RVGXJTIRXPXPAC-IUODEOHRSA-N 2 1 320.462 1.413 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001316680077 871021815 /nfs/dbraw/zinc/02/18/15/871021815.db2.gz FAYQBKDPAUAPIM-DLBZAZTESA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001317787116 871502619 /nfs/dbraw/zinc/50/26/19/871502619.db2.gz CBALMHCZLIKHAK-JKSUJKDBSA-N 2 1 316.449 1.850 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]2[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@H]21 ZINC001316724685 871981625 /nfs/dbraw/zinc/98/16/25/871981625.db2.gz VOGJZFMEHWZCLJ-NJAFHUGGSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001316724685 871981633 /nfs/dbraw/zinc/98/16/33/871981633.db2.gz VOGJZFMEHWZCLJ-NJAFHUGGSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001316724685 871981643 /nfs/dbraw/zinc/98/16/43/871981643.db2.gz VOGJZFMEHWZCLJ-NJAFHUGGSA-N 2 1 319.493 1.957 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC#CCOC ZINC001316882740 872199563 /nfs/dbraw/zinc/19/95/63/872199563.db2.gz UUEZYWFDGHNAFS-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001316950969 872454437 /nfs/dbraw/zinc/45/44/37/872454437.db2.gz GZEQWFVJSYDBFC-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001344778065 873112210 /nfs/dbraw/zinc/11/22/10/873112210.db2.gz OOSFTHLOJPRWQD-MELADBBJSA-N 2 1 310.467 1.094 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001344778065 873112215 /nfs/dbraw/zinc/11/22/15/873112215.db2.gz OOSFTHLOJPRWQD-MELADBBJSA-N 2 1 310.467 1.094 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334730 874025208 /nfs/dbraw/zinc/02/52/08/874025208.db2.gz LIWZWVSUZZLZQI-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277141 874773828 /nfs/dbraw/zinc/77/38/28/874773828.db2.gz GRBZYLAJNIASDV-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001209337500 874820369 /nfs/dbraw/zinc/82/03/69/874820369.db2.gz UAWOFRGTZHDADF-IIAWOOMASA-N 2 1 304.438 1.991 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001209337500 874820386 /nfs/dbraw/zinc/82/03/86/874820386.db2.gz UAWOFRGTZHDADF-IIAWOOMASA-N 2 1 304.438 1.991 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209633716 875022000 /nfs/dbraw/zinc/02/20/00/875022000.db2.gz WKSOFKRCWZCLPH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001219928259 878603402 /nfs/dbraw/zinc/60/34/02/878603402.db2.gz WSQULTVMOBICII-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219928259 878603404 /nfs/dbraw/zinc/60/34/04/878603404.db2.gz WSQULTVMOBICII-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219928259 878603407 /nfs/dbraw/zinc/60/34/07/878603407.db2.gz WSQULTVMOBICII-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP CC(C)(NC(=O)C[NH2+]C1CC[NH2+]CC1)c1ccc(C#N)cc1 ZINC001219988260 878637140 /nfs/dbraw/zinc/63/71/40/878637140.db2.gz UTFJFXXQPBZNMX-UHFFFAOYSA-N 2 1 300.406 1.251 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367438 878953772 /nfs/dbraw/zinc/95/37/72/878953772.db2.gz YKODCOIYQVDWGS-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367438 878953784 /nfs/dbraw/zinc/95/37/84/878953784.db2.gz YKODCOIYQVDWGS-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367438 878953802 /nfs/dbraw/zinc/95/38/02/878953802.db2.gz YKODCOIYQVDWGS-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCCCCC[C@H]([NH3+])C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001221388857 879739365 /nfs/dbraw/zinc/73/93/65/879739365.db2.gz GGJAISSTYHTVBM-AWEZNQCLSA-N 3 1 311.474 1.514 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001276831284 880587133 /nfs/dbraw/zinc/58/71/33/880587133.db2.gz VJOBANJWJALIAD-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001276831284 880587148 /nfs/dbraw/zinc/58/71/48/880587148.db2.gz VJOBANJWJALIAD-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001276831284 880587163 /nfs/dbraw/zinc/58/71/63/880587163.db2.gz VJOBANJWJALIAD-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223429935 880960445 /nfs/dbraw/zinc/96/04/45/880960445.db2.gz DZONHZDLTYHYRJ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001276950664 881241710 /nfs/dbraw/zinc/24/17/10/881241710.db2.gz ZIZDJCJAGOTDDL-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001277429891 884222636 /nfs/dbraw/zinc/22/26/36/884222636.db2.gz SMGOOOTWCQCFDY-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001277429891 884222654 /nfs/dbraw/zinc/22/26/54/884222654.db2.gz SMGOOOTWCQCFDY-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001277513698 885652950 /nfs/dbraw/zinc/65/29/50/885652950.db2.gz FBTKBRNMHZRHKH-HNNXBMFYSA-N 2 1 320.437 1.005 20 30 DDEDMP C=CC[N@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277513698 885652958 /nfs/dbraw/zinc/65/29/58/885652958.db2.gz FBTKBRNMHZRHKH-HNNXBMFYSA-N 2 1 320.437 1.005 20 30 DDEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277513698 885652963 /nfs/dbraw/zinc/65/29/63/885652963.db2.gz FBTKBRNMHZRHKH-HNNXBMFYSA-N 2 1 320.437 1.005 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)CC1 ZINC001277797030 887179545 /nfs/dbraw/zinc/17/95/45/887179545.db2.gz OCBQYHZABBTPDO-CRAIPNDOSA-N 2 1 316.449 1.213 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246303557 892526258 /nfs/dbraw/zinc/52/62/58/892526258.db2.gz ISBDWVGQFWMZGV-FZKCQIBNSA-N 3 1 309.454 1.476 20 30 DDEDMP N#C[C@@H]1C[C@H]([NH2+]C2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246455168 892638274 /nfs/dbraw/zinc/63/82/74/892638274.db2.gz HHYAUBCGUSUMKO-SJORKVTESA-N 2 1 316.424 1.724 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374739366 913749425 /nfs/dbraw/zinc/74/94/25/913749425.db2.gz VLXZUHYSZXXRNK-WBMJQRKESA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001366505600 893771285 /nfs/dbraw/zinc/77/12/85/893771285.db2.gz GGPBTOZTBUGXRL-PBHICJAKSA-N 2 1 314.433 1.494 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001278521113 894056805 /nfs/dbraw/zinc/05/68/05/894056805.db2.gz LPEWZYGCGYRXSW-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001278521113 894056824 /nfs/dbraw/zinc/05/68/24/894056824.db2.gz LPEWZYGCGYRXSW-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001252557490 895278001 /nfs/dbraw/zinc/27/80/01/895278001.db2.gz MLIQMQRBKMWVIM-WMLDXEAASA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001252557490 895278012 /nfs/dbraw/zinc/27/80/12/895278012.db2.gz MLIQMQRBKMWVIM-WMLDXEAASA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001253576513 895903199 /nfs/dbraw/zinc/90/31/99/895903199.db2.gz FOWKLWSDAQNVNG-HOTGVXAUSA-N 2 1 320.433 1.882 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001367706068 897525437 /nfs/dbraw/zinc/52/54/37/897525437.db2.gz ODAWUSOKBRUSFU-CQSZACIVSA-N 2 1 302.422 1.494 20 30 DDEDMP C[NH+](CC(=O)NCC[N@H+](C)Cc1cccc(C#N)c1)C1CCC1 ZINC001390765817 900133459 /nfs/dbraw/zinc/13/34/59/900133459.db2.gz SAIJOVHPCHVBBO-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)Cc1cccc(C#N)c1 ZINC001390765817 900133468 /nfs/dbraw/zinc/13/34/68/900133468.db2.gz SAIJOVHPCHVBBO-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)Cc1cccc(C#N)c1 ZINC001390765817 900133475 /nfs/dbraw/zinc/13/34/75/900133475.db2.gz SAIJOVHPCHVBBO-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001264029405 900882139 /nfs/dbraw/zinc/88/21/39/900882139.db2.gz CRLIKNJXGNTPHV-OAGGEKHMSA-N 2 1 317.477 1.567 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369308124 901028221 /nfs/dbraw/zinc/02/82/21/901028221.db2.gz SDWYVMRHHQNMGJ-NWDGAFQWSA-N 2 1 318.259 1.283 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001264586374 901198178 /nfs/dbraw/zinc/19/81/78/901198178.db2.gz OUOYRAHOFFSKHS-HYVNUMGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001265188989 901682432 /nfs/dbraw/zinc/68/24/32/901682432.db2.gz GEVARFINCBDEOU-NVXWUHKLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001265188989 901682438 /nfs/dbraw/zinc/68/24/38/901682438.db2.gz GEVARFINCBDEOU-NVXWUHKLSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC=C)C1 ZINC001265391052 901959979 /nfs/dbraw/zinc/95/99/79/901959979.db2.gz SMUSTQRIDNFFSK-IRXDYDNUSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC=C)C1 ZINC001265391052 901959988 /nfs/dbraw/zinc/95/99/88/901959988.db2.gz SMUSTQRIDNFFSK-IRXDYDNUSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC=C)C1 ZINC001265391052 901959995 /nfs/dbraw/zinc/95/99/95/901959995.db2.gz SMUSTQRIDNFFSK-IRXDYDNUSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC=C)C1 ZINC001265391052 901960003 /nfs/dbraw/zinc/96/00/03/901960003.db2.gz SMUSTQRIDNFFSK-IRXDYDNUSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(=C)C)C1 ZINC001265613089 902202464 /nfs/dbraw/zinc/20/24/64/902202464.db2.gz IFWNHJOGZFYWHH-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(=C)C)C1 ZINC001265613089 902202474 /nfs/dbraw/zinc/20/24/74/902202474.db2.gz IFWNHJOGZFYWHH-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001266007255 902744865 /nfs/dbraw/zinc/74/48/65/902744865.db2.gz VYNSCBSNJRLHEY-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266144574 903018166 /nfs/dbraw/zinc/01/81/66/903018166.db2.gz VISDSYSPKMRYCG-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[N@H+](CCCNC(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC001266174347 903060074 /nfs/dbraw/zinc/06/00/74/903060074.db2.gz FDWTZMVFHBCKDN-UHFFFAOYSA-N 2 1 315.461 1.326 20 30 DDEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001279416615 903255401 /nfs/dbraw/zinc/25/54/01/903255401.db2.gz YROPCXXSLNVYCX-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]Cc1ccc(CNC(=O)Cn2c[nH+]cc2C)c(F)c1 ZINC001279716522 903397819 /nfs/dbraw/zinc/39/78/19/903397819.db2.gz UGZYGRZAQMMEQM-UHFFFAOYSA-N 2 1 316.380 1.923 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001316609328 904642311 /nfs/dbraw/zinc/64/23/11/904642311.db2.gz KXHQEYPNAMATPY-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CCOC(C)C)CC1 ZINC001282497931 905831260 /nfs/dbraw/zinc/83/12/60/905831260.db2.gz TXMMZSIONNROAG-INIZCTEOSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001282873151 906135089 /nfs/dbraw/zinc/13/50/89/906135089.db2.gz GUACYZHKOGERLS-LUKYLMHMSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001283528030 907544196 /nfs/dbraw/zinc/54/41/96/907544196.db2.gz AAFGWFWTJLWYPT-NVXWUHKLSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001283556757 907598256 /nfs/dbraw/zinc/59/82/56/907598256.db2.gz LPOKXMRAASZJCY-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001283556757 907598273 /nfs/dbraw/zinc/59/82/73/907598273.db2.gz LPOKXMRAASZJCY-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001283678457 907782458 /nfs/dbraw/zinc/78/24/58/907782458.db2.gz MUFZHHBJZXJDJD-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001284100138 908473220 /nfs/dbraw/zinc/47/32/20/908473220.db2.gz DIHKMANJLGTZTO-YESZJQIVSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001284520045 909134126 /nfs/dbraw/zinc/13/41/26/909134126.db2.gz MTSDCSWSOSCASL-KRWDZBQOSA-N 2 1 323.481 1.027 20 30 DDEDMP C=C(C)C[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001284558108 909180957 /nfs/dbraw/zinc/18/09/57/909180957.db2.gz IGOCANRCZRJJPH-INIZCTEOSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(C)C[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001284558108 909180963 /nfs/dbraw/zinc/18/09/63/909180963.db2.gz IGOCANRCZRJJPH-INIZCTEOSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001284558108 909180969 /nfs/dbraw/zinc/18/09/69/909180969.db2.gz IGOCANRCZRJJPH-INIZCTEOSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001284558108 909180975 /nfs/dbraw/zinc/18/09/75/909180975.db2.gz IGOCANRCZRJJPH-INIZCTEOSA-N 2 1 311.470 1.452 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000046527738 352455630 /nfs/dbraw/zinc/45/56/30/352455630.db2.gz BFTJTTIVGPXGHS-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000046527738 352455636 /nfs/dbraw/zinc/45/56/36/352455636.db2.gz BFTJTTIVGPXGHS-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000321659746 354533393 /nfs/dbraw/zinc/53/33/93/354533393.db2.gz RWIGOZLEAQFULZ-YOEHRIQHSA-N 2 1 315.417 1.372 20 30 DDEDMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCN(CC#N)CC1 ZINC000591736854 355374832 /nfs/dbraw/zinc/37/48/32/355374832.db2.gz VLKFYTIQRYCLMG-SFHVURJKSA-N 2 1 316.449 1.057 20 30 DDEDMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCN(CC#N)CC1 ZINC000591736854 355374834 /nfs/dbraw/zinc/37/48/34/355374834.db2.gz VLKFYTIQRYCLMG-SFHVURJKSA-N 2 1 316.449 1.057 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccccc1C#N)CCO2 ZINC000592182159 355527065 /nfs/dbraw/zinc/52/70/65/355527065.db2.gz KVGMGYBZKVJFAX-UHFFFAOYSA-N 2 1 315.417 1.734 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1ccccc1C#N)CCO2 ZINC000592182159 355527068 /nfs/dbraw/zinc/52/70/68/355527068.db2.gz KVGMGYBZKVJFAX-UHFFFAOYSA-N 2 1 315.417 1.734 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441411 356216451 /nfs/dbraw/zinc/21/64/51/356216451.db2.gz RPCOCCMXMAQPLT-OWCLPIDISA-N 2 1 308.470 1.882 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595905597 356699628 /nfs/dbraw/zinc/69/96/28/356699628.db2.gz DVHWOXRRCBVCJG-GOSISDBHSA-N 2 1 317.433 1.980 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595905597 356699629 /nfs/dbraw/zinc/69/96/29/356699629.db2.gz DVHWOXRRCBVCJG-GOSISDBHSA-N 2 1 317.433 1.980 20 30 DDEDMP C[C@H]([NH+]=C([O-])NC[C@H]1CCc2nccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958009 223053379 /nfs/dbraw/zinc/05/33/79/223053379.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 1 317.437 1.600 20 30 DDEDMP C[C@H](NC(=O)NC[C@H]1CCc2nccn2C1)C1=CC[N@H+](C)CC1 ZINC000329958009 223053383 /nfs/dbraw/zinc/05/33/83/223053383.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 1 317.437 1.600 20 30 DDEDMP C[C@H](NC(=O)NC[C@H]1CCc2nccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958009 223053387 /nfs/dbraw/zinc/05/33/87/223053387.db2.gz PTQRPYIOXHNGBU-UONOGXRCSA-N 2 1 317.437 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439167 781943652 /nfs/dbraw/zinc/94/36/52/781943652.db2.gz FAYCEVDUCVTAGN-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC(C)(C)CCC#N ZINC000343927119 223328597 /nfs/dbraw/zinc/32/85/97/223328597.db2.gz VFTUYCZOMRTKDW-HNNXBMFYSA-N 2 1 308.470 1.849 20 30 DDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC(C)(C)CCC#N ZINC000343927119 223328599 /nfs/dbraw/zinc/32/85/99/223328599.db2.gz VFTUYCZOMRTKDW-HNNXBMFYSA-N 2 1 308.470 1.849 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876642 407356537 /nfs/dbraw/zinc/35/65/37/407356537.db2.gz MDHROTHGMQQKAT-UHFFFAOYSA-N 2 1 317.437 1.437 20 30 DDEDMP CC[C@@H](C)[N@@H+](C)CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000104191524 407349195 /nfs/dbraw/zinc/34/91/95/407349195.db2.gz FVSBVOLWUAUERP-CYBMUJFWSA-N 2 1 322.453 1.838 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000124443268 407358023 /nfs/dbraw/zinc/35/80/23/407358023.db2.gz ODXKEFNOYMWTKK-QGZVFWFLSA-N 2 1 319.493 1.816 20 30 DDEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CC3)CC2)oc1C ZINC000111994707 407419717 /nfs/dbraw/zinc/41/97/17/407419717.db2.gz BASVJMOYPAUYGD-UHFFFAOYSA-N 2 1 305.426 1.570 20 30 DDEDMP CC[NH+]=C(NCc1c[nH]nc1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262007161 407707764 /nfs/dbraw/zinc/70/77/64/407707764.db2.gz VWEBOAKXBZNSKI-WFASDCNBSA-N 2 1 306.458 1.502 20 30 DDEDMP C[C@@]1(CNC(=[NH2+])N2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000162457340 408701545 /nfs/dbraw/zinc/70/15/45/408701545.db2.gz RUGPBBYTBKEXLJ-SFHVURJKSA-N 2 1 316.449 1.688 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C(C)C ZINC000285040845 409394432 /nfs/dbraw/zinc/39/44/32/409394432.db2.gz WDBWNKHURXDOLE-OAGGEKHMSA-N 2 1 309.454 1.178 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000328157937 409928577 /nfs/dbraw/zinc/92/85/77/409928577.db2.gz HGMJYSNRNCJUCL-KRWDZBQOSA-N 2 1 304.434 1.588 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000328157937 409928582 /nfs/dbraw/zinc/92/85/82/409928582.db2.gz HGMJYSNRNCJUCL-KRWDZBQOSA-N 2 1 304.434 1.588 20 30 DDEDMP Cc1ccc2nc(CNC(=O)[C@H]3C[N@H+]4CCN3CCC4)cn2c1 ZINC000328961522 410022612 /nfs/dbraw/zinc/02/26/12/410022612.db2.gz QDFMJENCUHZQFY-OAHLLOKOSA-N 2 1 313.405 1.489 20 30 DDEDMP CN(CC(=O)NCc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000355742857 410670474 /nfs/dbraw/zinc/67/04/74/410670474.db2.gz XFGNCZLUJBKYKZ-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652360742 422979456 /nfs/dbraw/zinc/97/94/56/422979456.db2.gz PFJKOBOBMFCEIU-GVDBMIGSSA-N 2 1 321.465 1.548 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261844023 222259196 /nfs/dbraw/zinc/25/91/96/222259196.db2.gz WRECSFSYDPGTNF-IAGOWNOFSA-N 2 1 320.481 1.572 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNc1ccccc1 ZINC000264134295 222324371 /nfs/dbraw/zinc/32/43/71/222324371.db2.gz ZFAYZDDRRBZWCW-INIZCTEOSA-N 2 1 303.454 1.877 20 30 DDEDMP CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262000358 222269710 /nfs/dbraw/zinc/26/97/10/222269710.db2.gz UFFDIGGFNLGYDP-UNEWFSDZSA-N 2 1 308.470 1.451 20 30 DDEDMP CC[N@@H+]1CCO[C@@H](C[NH+]=C(N(C)C)N(C)C)[C@@H]1c1ccccc1 ZINC000262481182 222282965 /nfs/dbraw/zinc/28/29/65/222282965.db2.gz CZZHNNVWJPPIGR-IRXDYDNUSA-N 2 1 318.465 1.928 20 30 DDEDMP CC[N@H+]1CCO[C@@H](C[NH+]=C(N(C)C)N(C)C)[C@@H]1c1ccccc1 ZINC000262481182 222282970 /nfs/dbraw/zinc/28/29/70/222282970.db2.gz CZZHNNVWJPPIGR-IRXDYDNUSA-N 2 1 318.465 1.928 20 30 DDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262523761 222285482 /nfs/dbraw/zinc/28/54/82/222285482.db2.gz JTIIXMHNYDVNLM-MRXNPFEDSA-N 2 1 301.438 1.148 20 30 DDEDMP C=C(Br)CNC(N[C@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000262742660 222291015 /nfs/dbraw/zinc/29/10/15/222291015.db2.gz FAKDYRNFWHHWEG-NSHDSACASA-N 2 1 315.259 1.687 20 30 DDEDMP C=C(Br)CNC(N[C@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000262742660 222291018 /nfs/dbraw/zinc/29/10/18/222291018.db2.gz FAKDYRNFWHHWEG-NSHDSACASA-N 2 1 315.259 1.687 20 30 DDEDMP C[NH+]=C(NCc1ccsc1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262821497 222297167 /nfs/dbraw/zinc/29/71/67/222297167.db2.gz XABGSBKEHGOSDV-AWEZNQCLSA-N 2 1 312.508 1.850 20 30 DDEDMP COCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000264055191 222311679 /nfs/dbraw/zinc/31/16/79/222311679.db2.gz ANMSBYVTVDGNAC-OAHLLOKOSA-N 2 1 318.465 1.969 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000267443677 222385394 /nfs/dbraw/zinc/38/53/94/222385394.db2.gz PPGQYMRAJFNNRN-ZDUSSCGKSA-N 2 1 306.410 1.390 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1cccs1 ZINC000267457973 222385431 /nfs/dbraw/zinc/38/54/31/222385431.db2.gz UHMODLXZQASQDY-CQSZACIVSA-N 2 1 324.494 1.553 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000424179064 228241944 /nfs/dbraw/zinc/24/19/44/228241944.db2.gz SGYWMWVHBOLNLW-CABCVRRESA-N 2 1 320.824 1.834 20 30 DDEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424186749 228243078 /nfs/dbraw/zinc/24/30/78/228243078.db2.gz HIRVZHPYTNXBFZ-SJORKVTESA-N 2 1 314.433 1.740 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC(C)(C)C#N)CC1 ZINC000568942259 421623225 /nfs/dbraw/zinc/62/32/25/421623225.db2.gz KZBFQBVNLPWNNO-UHFFFAOYSA-N 2 1 301.394 1.712 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528474171 267289128 /nfs/dbraw/zinc/28/91/28/267289128.db2.gz HVWKMUWHUHTPJO-IRXDYDNUSA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528474171 267289132 /nfs/dbraw/zinc/28/91/32/267289132.db2.gz HVWKMUWHUHTPJO-IRXDYDNUSA-N 2 1 317.433 1.714 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCC1)N1CC[NH+](CC(C)C)CC1 ZINC000114094075 280837350 /nfs/dbraw/zinc/83/73/50/280837350.db2.gz WZJKFNVIIVBJBQ-UHFFFAOYSA-N 2 1 310.486 1.531 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000491705263 526806732 /nfs/dbraw/zinc/80/67/32/526806732.db2.gz ZIMRGNFKWJQABW-UHFFFAOYSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000491667222 526808047 /nfs/dbraw/zinc/80/80/47/526808047.db2.gz LAAZPZFDXQJZGS-UHFFFAOYSA-N 2 1 322.497 1.705 20 30 DDEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347013348 526867294 /nfs/dbraw/zinc/86/72/94/526867294.db2.gz HYSFOQMZIYNJTG-INIZCTEOSA-N 2 1 317.433 1.538 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000330253158 528957726 /nfs/dbraw/zinc/95/77/26/528957726.db2.gz ISRRCUZYADSINH-UHFFFAOYSA-N 2 1 318.421 1.586 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3cc[nH]c(=O)c3C2)CC1 ZINC000330253158 528957738 /nfs/dbraw/zinc/95/77/38/528957738.db2.gz ISRRCUZYADSINH-UHFFFAOYSA-N 2 1 318.421 1.586 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000971923495 695123272 /nfs/dbraw/zinc/12/32/72/695123272.db2.gz VESSBLZDUZZNQL-OAHLLOKOSA-N 2 1 309.373 1.047 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437785 695251397 /nfs/dbraw/zinc/25/13/97/695251397.db2.gz KTORYOCZGNQQRE-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437785 695251399 /nfs/dbraw/zinc/25/13/99/695251399.db2.gz KTORYOCZGNQQRE-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972437785 695251401 /nfs/dbraw/zinc/25/14/01/695251401.db2.gz KTORYOCZGNQQRE-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972437785 695251402 /nfs/dbraw/zinc/25/14/02/695251402.db2.gz KTORYOCZGNQQRE-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP [NH2+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N1CCCCC1 ZINC000104156937 696618684 /nfs/dbraw/zinc/61/86/84/696618684.db2.gz VNWYLJWHBXIXQQ-UHFFFAOYSA-N 2 1 316.449 1.819 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981805320 696923293 /nfs/dbraw/zinc/92/32/93/696923293.db2.gz CQFISSWLVPIWIS-QGZVFWFLSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981805320 696923294 /nfs/dbraw/zinc/92/32/94/696923294.db2.gz CQFISSWLVPIWIS-QGZVFWFLSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805320 696923296 /nfs/dbraw/zinc/92/32/96/696923296.db2.gz CQFISSWLVPIWIS-QGZVFWFLSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805320 696923297 /nfs/dbraw/zinc/92/32/97/696923297.db2.gz CQFISSWLVPIWIS-QGZVFWFLSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812202 696926547 /nfs/dbraw/zinc/92/65/47/696926547.db2.gz JQQZENYDATVGNY-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820320 696930958 /nfs/dbraw/zinc/93/09/58/696930958.db2.gz QLFBOIMIDLPJJF-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820320 696930960 /nfs/dbraw/zinc/93/09/60/696930960.db2.gz QLFBOIMIDLPJJF-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820320 696930962 /nfs/dbraw/zinc/93/09/62/696930962.db2.gz QLFBOIMIDLPJJF-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820320 696930963 /nfs/dbraw/zinc/93/09/63/696930963.db2.gz QLFBOIMIDLPJJF-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848354 696941074 /nfs/dbraw/zinc/94/10/74/696941074.db2.gz LBMOSRKVNWSDMS-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848354 696941079 /nfs/dbraw/zinc/94/10/79/696941079.db2.gz LBMOSRKVNWSDMS-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848354 696941082 /nfs/dbraw/zinc/94/10/82/696941082.db2.gz LBMOSRKVNWSDMS-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000982084214 697025885 /nfs/dbraw/zinc/02/58/85/697025885.db2.gz KLFVHMFZSXNZLE-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981229616 697040898 /nfs/dbraw/zinc/04/08/98/697040898.db2.gz BXTQXUFFBDLMEW-CABCVRRESA-N 2 1 314.433 1.412 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982149121 697042796 /nfs/dbraw/zinc/04/27/96/697042796.db2.gz JWVCUCOCFWQCMS-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982149121 697042798 /nfs/dbraw/zinc/04/27/98/697042798.db2.gz JWVCUCOCFWQCMS-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982161921 697045998 /nfs/dbraw/zinc/04/59/98/697045998.db2.gz DLUJNSASPJCMCY-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981330695 697067557 /nfs/dbraw/zinc/06/75/57/697067557.db2.gz HDOGKIJLIBMHER-GOSISDBHSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981330695 697067560 /nfs/dbraw/zinc/06/75/60/697067560.db2.gz HDOGKIJLIBMHER-GOSISDBHSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981330695 697067563 /nfs/dbraw/zinc/06/75/63/697067563.db2.gz HDOGKIJLIBMHER-GOSISDBHSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981330695 697067566 /nfs/dbraw/zinc/06/75/66/697067566.db2.gz HDOGKIJLIBMHER-GOSISDBHSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981332265 697068009 /nfs/dbraw/zinc/06/80/09/697068009.db2.gz UWZPNGYRSYBNOL-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332265 697068010 /nfs/dbraw/zinc/06/80/10/697068010.db2.gz UWZPNGYRSYBNOL-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332265 697068012 /nfs/dbraw/zinc/06/80/12/697068012.db2.gz UWZPNGYRSYBNOL-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC[C@@H](C)F)CC1 ZINC000981365899 697076926 /nfs/dbraw/zinc/07/69/26/697076926.db2.gz ZNIRAZZVCQJCHK-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC000981365899 697076929 /nfs/dbraw/zinc/07/69/29/697076929.db2.gz ZNIRAZZVCQJCHK-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC[C@@H](C)F)CC1 ZINC000981365899 697076931 /nfs/dbraw/zinc/07/69/31/697076931.db2.gz ZNIRAZZVCQJCHK-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC[C@@H](C)F)CC1 ZINC000981365899 697076933 /nfs/dbraw/zinc/07/69/33/697076933.db2.gz ZNIRAZZVCQJCHK-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000981438022 697097042 /nfs/dbraw/zinc/09/70/42/697097042.db2.gz IISIPCLKGMTOSG-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000981438022 697097044 /nfs/dbraw/zinc/09/70/44/697097044.db2.gz IISIPCLKGMTOSG-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000981438022 697097046 /nfs/dbraw/zinc/09/70/46/697097046.db2.gz IISIPCLKGMTOSG-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985751473 697567916 /nfs/dbraw/zinc/56/79/16/697567916.db2.gz MKBNYZIWRHZRJN-DOTOQJQBSA-N 2 1 305.466 1.663 20 30 DDEDMP Cc1ccc([C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000195522712 697746376 /nfs/dbraw/zinc/74/63/76/697746376.db2.gz FRZDRMACZXAJOE-HOTGVXAUSA-N 2 1 304.438 1.681 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C)cc1 ZINC000303691404 698605927 /nfs/dbraw/zinc/60/59/27/698605927.db2.gz AOAAXJBRQGPYMJ-OAHLLOKOSA-N 2 1 304.438 1.762 20 30 DDEDMP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303790548 698607190 /nfs/dbraw/zinc/60/71/90/698607190.db2.gz WJOLBFVDPYJVMU-UHFFFAOYSA-N 2 1 304.438 1.675 20 30 DDEDMP Cc1ccn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(=O)c1C#N ZINC000758245337 700693951 /nfs/dbraw/zinc/69/39/51/700693951.db2.gz ZTDFJNVSIKUIBC-INIZCTEOSA-N 2 1 314.433 1.650 20 30 DDEDMP Cc1ccn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(=O)c1C#N ZINC000758245337 700693952 /nfs/dbraw/zinc/69/39/52/700693952.db2.gz ZTDFJNVSIKUIBC-INIZCTEOSA-N 2 1 314.433 1.650 20 30 DDEDMP c1ccc(C[N@@H+]2CCC(N=NC3=[NH+]CCN3)[C@@H]3CCC[C@H]32)cc1 ZINC000841658711 702521611 /nfs/dbraw/zinc/52/16/11/702521611.db2.gz DIEVPCSXZQCLKH-DOTOQJQBSA-N 2 1 311.433 1.966 20 30 DDEDMP c1ccc(C[N@H+]2CCC(N=NC3=[NH+]CCN3)[C@@H]3CCC[C@H]32)cc1 ZINC000841658711 702521614 /nfs/dbraw/zinc/52/16/14/702521614.db2.gz DIEVPCSXZQCLKH-DOTOQJQBSA-N 2 1 311.433 1.966 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000846174429 703246444 /nfs/dbraw/zinc/24/64/44/703246444.db2.gz YUQOIBJEXPUMIL-UHFFFAOYSA-N 2 1 304.438 1.480 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000846511105 703287773 /nfs/dbraw/zinc/28/77/73/703287773.db2.gz PFWADUKSNFTUQH-KRWDZBQOSA-N 2 1 301.434 1.490 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000846511105 703287774 /nfs/dbraw/zinc/28/77/74/703287774.db2.gz PFWADUKSNFTUQH-KRWDZBQOSA-N 2 1 301.434 1.490 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000852360382 704024036 /nfs/dbraw/zinc/02/40/36/704024036.db2.gz XUSLSPLCLOBJRZ-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215426 704824043 /nfs/dbraw/zinc/82/40/43/704824043.db2.gz GSCQNAZATDHSCG-UHFFFAOYSA-N 2 1 318.421 1.192 20 30 DDEDMP C=CCNC(=O)NC(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215426 704824047 /nfs/dbraw/zinc/82/40/47/704824047.db2.gz GSCQNAZATDHSCG-UHFFFAOYSA-N 2 1 318.421 1.192 20 30 DDEDMP C[NH+]1CCN(CCCC[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000876929180 705928199 /nfs/dbraw/zinc/92/81/99/705928199.db2.gz VENONTVXGLPVSY-UHFFFAOYSA-N 2 1 321.856 1.724 20 30 DDEDMP N#Cc1ccc(NCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000927167519 712948317 /nfs/dbraw/zinc/94/83/17/712948317.db2.gz KUPCREDHPJGACL-MRXNPFEDSA-N 2 1 315.421 1.208 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C#CC(C)(C)C ZINC000837383792 707633661 /nfs/dbraw/zinc/63/36/61/707633661.db2.gz QKGRIMSMGJGNON-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000838623760 707955189 /nfs/dbraw/zinc/95/51/89/707955189.db2.gz LJUSOEIACIQZNU-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1Cc2ccccc2O1 ZINC000883216811 707955851 /nfs/dbraw/zinc/95/58/51/707955851.db2.gz WVJYQVYDVVEOHX-WDSOQIARSA-N 2 1 316.445 1.981 20 30 DDEDMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1Cc2ccccc2O1 ZINC000883216811 707955853 /nfs/dbraw/zinc/95/58/53/707955853.db2.gz WVJYQVYDVVEOHX-WDSOQIARSA-N 2 1 316.445 1.981 20 30 DDEDMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884227732 708200097 /nfs/dbraw/zinc/20/00/97/708200097.db2.gz XGNLNNICKCUXNV-GARNVTTQSA-N 2 1 318.465 1.459 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000884261364 708214596 /nfs/dbraw/zinc/21/45/96/708214596.db2.gz JYKQHIWOMTUCCP-ZBFHGGJFSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000884261364 708214598 /nfs/dbraw/zinc/21/45/98/708214598.db2.gz JYKQHIWOMTUCCP-ZBFHGGJFSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000884261364 708214601 /nfs/dbraw/zinc/21/46/01/708214601.db2.gz JYKQHIWOMTUCCP-ZBFHGGJFSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000884261364 708214604 /nfs/dbraw/zinc/21/46/04/708214604.db2.gz JYKQHIWOMTUCCP-ZBFHGGJFSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000884261364 708214607 /nfs/dbraw/zinc/21/46/07/708214607.db2.gz JYKQHIWOMTUCCP-ZBFHGGJFSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000884303562 708234395 /nfs/dbraw/zinc/23/43/95/708234395.db2.gz RJFBUGJOONHQNB-INIZCTEOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000884303562 708234398 /nfs/dbraw/zinc/23/43/98/708234398.db2.gz RJFBUGJOONHQNB-INIZCTEOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000890363469 709836557 /nfs/dbraw/zinc/83/65/57/709836557.db2.gz PGEXVSZXCDNJML-INIZCTEOSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000890363469 709836561 /nfs/dbraw/zinc/83/65/61/709836561.db2.gz PGEXVSZXCDNJML-INIZCTEOSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000890377004 709846805 /nfs/dbraw/zinc/84/68/05/709846805.db2.gz FUXUAENGGPXVCB-DLBZAZTESA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000890377004 709846806 /nfs/dbraw/zinc/84/68/06/709846806.db2.gz FUXUAENGGPXVCB-DLBZAZTESA-N 2 1 318.465 1.354 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000901274202 709993242 /nfs/dbraw/zinc/99/32/42/709993242.db2.gz RXUMSHPAAPZJBL-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCCC[N@H+](CC)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000902670022 710854295 /nfs/dbraw/zinc/85/42/95/710854295.db2.gz XGCMOYDHERTXLI-UHFFFAOYSA-N 2 1 308.426 1.248 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000894863540 711300271 /nfs/dbraw/zinc/30/02/71/711300271.db2.gz GZDWGFGXWLTFQM-OAHLLOKOSA-N 2 1 322.474 1.738 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000894863540 711300274 /nfs/dbraw/zinc/30/02/74/711300274.db2.gz GZDWGFGXWLTFQM-OAHLLOKOSA-N 2 1 322.474 1.738 20 30 DDEDMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2cc(C#N)cs2)cnn1C ZINC000904469150 711861233 /nfs/dbraw/zinc/86/12/33/711861233.db2.gz ITYYKLOFGGFONF-CYBMUJFWSA-N 2 1 317.462 1.911 20 30 DDEDMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2cc(C#N)cs2)cnn1C ZINC000904469150 711861236 /nfs/dbraw/zinc/86/12/36/711861236.db2.gz ITYYKLOFGGFONF-CYBMUJFWSA-N 2 1 317.462 1.911 20 30 DDEDMP N#Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cs1 ZINC000921689857 713844305 /nfs/dbraw/zinc/84/43/05/713844305.db2.gz HZWJCANQZRKXPJ-ZDUSSCGKSA-N 2 1 306.435 1.297 20 30 DDEDMP N#Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cs1 ZINC000921689857 713844307 /nfs/dbraw/zinc/84/43/07/713844307.db2.gz HZWJCANQZRKXPJ-ZDUSSCGKSA-N 2 1 306.435 1.297 20 30 DDEDMP C[N@H+]1CC[C@@H]2CN(CC(=O)NCc3cccc(C#N)c3)C[C@@H]2C1 ZINC000931434016 714096336 /nfs/dbraw/zinc/09/63/36/714096336.db2.gz MPKALCVIBOTSPG-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3cccc(C#N)c3)C[C@@H]2C1 ZINC000931434016 714096337 /nfs/dbraw/zinc/09/63/37/714096337.db2.gz MPKALCVIBOTSPG-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3cccc(C#N)c3)C[C@@H]2C1 ZINC000931434016 714096340 /nfs/dbraw/zinc/09/63/40/714096340.db2.gz MPKALCVIBOTSPG-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCc3cccc(C#N)c3)C[C@@H]2C1 ZINC000931434016 714096343 /nfs/dbraw/zinc/09/63/43/714096343.db2.gz MPKALCVIBOTSPG-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCc3cccc(C#N)c3)C[C@@H]2C1 ZINC000931434016 714096346 /nfs/dbraw/zinc/09/63/46/714096346.db2.gz MPKALCVIBOTSPG-SJORKVTESA-N 2 1 312.417 1.058 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000923563627 714406233 /nfs/dbraw/zinc/40/62/33/714406233.db2.gz IMLYCDTYUTVYNH-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000923563627 714406234 /nfs/dbraw/zinc/40/62/34/714406234.db2.gz IMLYCDTYUTVYNH-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000923563627 714406235 /nfs/dbraw/zinc/40/62/35/714406235.db2.gz IMLYCDTYUTVYNH-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000923563627 714406236 /nfs/dbraw/zinc/40/62/36/714406236.db2.gz IMLYCDTYUTVYNH-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000958379440 716514001 /nfs/dbraw/zinc/51/40/01/716514001.db2.gz VXJBFMOVADYHTC-XDNAFOTISA-N 2 1 324.428 1.199 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000958379440 716514006 /nfs/dbraw/zinc/51/40/06/716514006.db2.gz VXJBFMOVADYHTC-XDNAFOTISA-N 2 1 324.428 1.199 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000958379440 716514012 /nfs/dbraw/zinc/51/40/12/716514012.db2.gz VXJBFMOVADYHTC-XDNAFOTISA-N 2 1 324.428 1.199 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961771608 717202868 /nfs/dbraw/zinc/20/28/68/717202868.db2.gz OWZCLSOXKHPHPT-QMCVQRASSA-N 2 1 314.433 1.376 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961771608 717202872 /nfs/dbraw/zinc/20/28/72/717202872.db2.gz OWZCLSOXKHPHPT-QMCVQRASSA-N 2 1 314.433 1.376 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000964423492 717257396 /nfs/dbraw/zinc/25/73/96/717257396.db2.gz WYDGZPIGFSOIQH-UYSNPLJNSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000964423492 717257398 /nfs/dbraw/zinc/25/73/98/717257398.db2.gz WYDGZPIGFSOIQH-UYSNPLJNSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962048052 717287464 /nfs/dbraw/zinc/28/74/64/717287464.db2.gz DCQFLRILXCZDST-PIIMJCKOSA-N 2 1 313.445 1.984 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942171525 717521915 /nfs/dbraw/zinc/52/19/15/717521915.db2.gz BFCLCUDWQIOOPJ-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000965424679 717646782 /nfs/dbraw/zinc/64/67/82/717646782.db2.gz OFZXUFKBROZGON-VIIJNVHASA-N 2 1 315.461 1.654 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518528 718814796 /nfs/dbraw/zinc/81/47/96/718814796.db2.gz VQRRDTVHACOKDU-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518528 718814800 /nfs/dbraw/zinc/81/48/00/718814800.db2.gz VQRRDTVHACOKDU-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518528 718814804 /nfs/dbraw/zinc/81/48/04/718814804.db2.gz VQRRDTVHACOKDU-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779086 718906264 /nfs/dbraw/zinc/90/62/64/718906264.db2.gz FULSBQUQSRKFFT-WNRNVDISSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779086 718906268 /nfs/dbraw/zinc/90/62/68/718906268.db2.gz FULSBQUQSRKFFT-WNRNVDISSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779086 718906272 /nfs/dbraw/zinc/90/62/72/718906272.db2.gz FULSBQUQSRKFFT-WNRNVDISSA-N 2 1 317.477 1.378 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933543 719311267 /nfs/dbraw/zinc/31/12/67/719311267.db2.gz CAFWDZYGFJVPPC-ZIAGYGMSSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933543 719311269 /nfs/dbraw/zinc/31/12/69/719311269.db2.gz CAFWDZYGFJVPPC-ZIAGYGMSSA-N 2 1 311.857 1.804 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947939485 719312821 /nfs/dbraw/zinc/31/28/21/719312821.db2.gz IKINSLCKMBRFIR-CABCVRRESA-N 2 1 314.433 1.754 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364743 719468892 /nfs/dbraw/zinc/46/88/92/719468892.db2.gz JFOVDZPJFICVQX-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364743 719468897 /nfs/dbraw/zinc/46/88/97/719468897.db2.gz JFOVDZPJFICVQX-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364743 719468900 /nfs/dbraw/zinc/46/89/00/719468900.db2.gz JFOVDZPJFICVQX-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330516 719510974 /nfs/dbraw/zinc/51/09/74/719510974.db2.gz ABZSOUBXOZXOGW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C)[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000968330516 719510978 /nfs/dbraw/zinc/51/09/78/719510978.db2.gz ABZSOUBXOZXOGW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C)[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000968330516 719510980 /nfs/dbraw/zinc/51/09/80/719510980.db2.gz ABZSOUBXOZXOGW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153334 719979217 /nfs/dbraw/zinc/97/92/17/719979217.db2.gz FRCLTJKXQKDQNU-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153334 719979219 /nfs/dbraw/zinc/97/92/19/719979219.db2.gz FRCLTJKXQKDQNU-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153334 719979223 /nfs/dbraw/zinc/97/92/23/719979223.db2.gz FRCLTJKXQKDQNU-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153334 719979226 /nfs/dbraw/zinc/97/92/26/719979226.db2.gz FRCLTJKXQKDQNU-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000949904602 720410633 /nfs/dbraw/zinc/41/06/33/720410633.db2.gz VEHBCSZXFODXDZ-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560136 735311283 /nfs/dbraw/zinc/31/12/83/735311283.db2.gz MKXXGASUSFYKBK-CQSZACIVSA-N 2 1 303.406 1.416 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027650996 738512317 /nfs/dbraw/zinc/51/23/17/738512317.db2.gz HYVGEYPMORPLGB-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP C#CCCC[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209265539 732658495 /nfs/dbraw/zinc/65/84/95/732658495.db2.gz AGLJKXILPRQQQM-UHFFFAOYSA-N 2 1 313.449 1.042 20 30 DDEDMP C#CCCC[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209265539 732658498 /nfs/dbraw/zinc/65/84/98/732658498.db2.gz AGLJKXILPRQQQM-UHFFFAOYSA-N 2 1 313.449 1.042 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001167377117 733326022 /nfs/dbraw/zinc/32/60/22/733326022.db2.gz LDKBXJMSDJSETC-UHFFFAOYSA-N 2 1 316.449 1.906 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681921 733439793 /nfs/dbraw/zinc/43/97/93/733439793.db2.gz KIPJKJAADPPLQQ-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC=C)C2 ZINC001121250948 782426065 /nfs/dbraw/zinc/42/60/65/782426065.db2.gz MUKFHXUUVLVFLQ-RFSHTEQGSA-N 2 1 315.461 1.677 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC=C)C2 ZINC001121250948 782426073 /nfs/dbraw/zinc/42/60/73/782426073.db2.gz MUKFHXUUVLVFLQ-RFSHTEQGSA-N 2 1 315.461 1.677 20 30 DDEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098562189 734654567 /nfs/dbraw/zinc/65/45/67/734654567.db2.gz UAHLQGVNLAHDRJ-UHFFFAOYSA-N 2 1 323.481 1.334 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC000972339815 734797430 /nfs/dbraw/zinc/79/74/30/734797430.db2.gz OTPRQRZVZOOKRT-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339815 734797432 /nfs/dbraw/zinc/79/74/32/734797432.db2.gz OTPRQRZVZOOKRT-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339815 734797436 /nfs/dbraw/zinc/79/74/36/734797436.db2.gz OTPRQRZVZOOKRT-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001098572075 734878145 /nfs/dbraw/zinc/87/81/45/734878145.db2.gz VOYVZIJWYRRJLL-HOTGVXAUSA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024478122 735855320 /nfs/dbraw/zinc/85/53/20/735855320.db2.gz RLOREDCWKWDCQM-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024478122 735855325 /nfs/dbraw/zinc/85/53/25/735855325.db2.gz RLOREDCWKWDCQM-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024478122 735855329 /nfs/dbraw/zinc/85/53/29/735855329.db2.gz RLOREDCWKWDCQM-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296559 735970519 /nfs/dbraw/zinc/97/05/19/735970519.db2.gz BGLPRCFELOQGRH-PVAVHDDUSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296559 735970523 /nfs/dbraw/zinc/97/05/23/735970523.db2.gz BGLPRCFELOQGRH-PVAVHDDUSA-N 2 1 316.449 1.983 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027986604 738909692 /nfs/dbraw/zinc/90/96/92/738909692.db2.gz ZKNGZJOBSVUXBC-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027986604 738909695 /nfs/dbraw/zinc/90/96/95/738909695.db2.gz ZKNGZJOBSVUXBC-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027986604 738909699 /nfs/dbraw/zinc/90/96/99/738909699.db2.gz ZKNGZJOBSVUXBC-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112009465 736477019 /nfs/dbraw/zinc/47/70/19/736477019.db2.gz DOLBPUDIENHINC-WMZOPIPTSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009465 736477022 /nfs/dbraw/zinc/47/70/22/736477022.db2.gz DOLBPUDIENHINC-WMZOPIPTSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112009465 736477025 /nfs/dbraw/zinc/47/70/25/736477025.db2.gz DOLBPUDIENHINC-WMZOPIPTSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025599455 736779404 /nfs/dbraw/zinc/77/94/04/736779404.db2.gz GWXIHJAATFXZFO-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139811 737139890 /nfs/dbraw/zinc/13/98/90/737139890.db2.gz UDHIYWRLTOJMDX-MTSZKFMLSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027547895 738393879 /nfs/dbraw/zinc/39/38/79/738393879.db2.gz YMMMKCHAYCHTSL-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027547895 738393885 /nfs/dbraw/zinc/39/38/85/738393885.db2.gz YMMMKCHAYCHTSL-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547895 738393888 /nfs/dbraw/zinc/39/38/88/738393888.db2.gz YMMMKCHAYCHTSL-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547895 738393893 /nfs/dbraw/zinc/39/38/93/738393893.db2.gz YMMMKCHAYCHTSL-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137823 739079431 /nfs/dbraw/zinc/07/94/31/739079431.db2.gz NFBVGFYNHYPUQF-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137823 739079435 /nfs/dbraw/zinc/07/94/35/739079435.db2.gz NFBVGFYNHYPUQF-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646580 739846992 /nfs/dbraw/zinc/84/69/92/739846992.db2.gz ZHNJDKZOVCJEGB-ZDUSSCGKSA-N 2 1 306.410 1.364 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646580 739846997 /nfs/dbraw/zinc/84/69/97/739846997.db2.gz ZHNJDKZOVCJEGB-ZDUSSCGKSA-N 2 1 306.410 1.364 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845105 740104926 /nfs/dbraw/zinc/10/49/26/740104926.db2.gz GFLKCFHRAGZXBR-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845105 740104928 /nfs/dbraw/zinc/10/49/28/740104928.db2.gz GFLKCFHRAGZXBR-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845105 740104930 /nfs/dbraw/zinc/10/49/30/740104930.db2.gz GFLKCFHRAGZXBR-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921798 740175644 /nfs/dbraw/zinc/17/56/44/740175644.db2.gz ZTUWEGJDYUKIOM-KRWDZBQOSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029004718 740249200 /nfs/dbraw/zinc/24/92/00/740249200.db2.gz GLVKAUAOQJIRJX-OAHLLOKOSA-N 2 1 301.434 1.986 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578960 740663081 /nfs/dbraw/zinc/66/30/81/740663081.db2.gz ZJRFPSKIQACFAM-MWDXBVQZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578960 740663084 /nfs/dbraw/zinc/66/30/84/740663084.db2.gz ZJRFPSKIQACFAM-MWDXBVQZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578960 740663086 /nfs/dbraw/zinc/66/30/86/740663086.db2.gz ZJRFPSKIQACFAM-MWDXBVQZSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622341 740680743 /nfs/dbraw/zinc/68/07/43/740680743.db2.gz GXBCZKCYLNHCMH-YYIAUSFCSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622341 740680745 /nfs/dbraw/zinc/68/07/45/740680745.db2.gz GXBCZKCYLNHCMH-YYIAUSFCSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622341 740680749 /nfs/dbraw/zinc/68/07/49/740680749.db2.gz GXBCZKCYLNHCMH-YYIAUSFCSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622341 740680751 /nfs/dbraw/zinc/68/07/51/740680751.db2.gz GXBCZKCYLNHCMH-YYIAUSFCSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041899 740963963 /nfs/dbraw/zinc/96/39/63/740963963.db2.gz OKFUOBJSPRTAAM-ZBFHGGJFSA-N 2 1 308.385 1.361 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088091647 741020707 /nfs/dbraw/zinc/02/07/07/741020707.db2.gz UOQIVZOKWLZASF-SJORKVTESA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107981610 751631641 /nfs/dbraw/zinc/63/16/41/751631641.db2.gz AVHVARQFGQNWAW-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107981610 751631645 /nfs/dbraw/zinc/63/16/45/751631645.db2.gz AVHVARQFGQNWAW-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107981610 751631650 /nfs/dbraw/zinc/63/16/50/751631650.db2.gz AVHVARQFGQNWAW-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107981610 751631656 /nfs/dbraw/zinc/63/16/56/751631656.db2.gz AVHVARQFGQNWAW-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001088334845 741406125 /nfs/dbraw/zinc/40/61/25/741406125.db2.gz QFFVDQLASPDEFO-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001088334845 741406127 /nfs/dbraw/zinc/40/61/27/741406127.db2.gz QFFVDQLASPDEFO-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001088428840 741488106 /nfs/dbraw/zinc/48/81/06/741488106.db2.gz DBPXHEZDEZIIQB-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001088428840 741488107 /nfs/dbraw/zinc/48/81/07/741488107.db2.gz DBPXHEZDEZIIQB-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001105485416 742079779 /nfs/dbraw/zinc/07/97/79/742079779.db2.gz HBWNATVGVFBWGY-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001105485762 742080156 /nfs/dbraw/zinc/08/01/56/742080156.db2.gz YPZDLEMGBNTFKG-UHFFFAOYSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001076046630 742510486 /nfs/dbraw/zinc/51/04/86/742510486.db2.gz DOHGYVJSIDWZAM-WMLDXEAASA-N 2 1 308.385 1.504 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC001076228804 742610552 /nfs/dbraw/zinc/61/05/52/742610552.db2.gz LDFVIHBRSBNJRJ-SQWLQELKSA-N 2 1 314.433 1.938 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467805 742743678 /nfs/dbraw/zinc/74/36/78/742743678.db2.gz UABKCXBDFXHZKP-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001002156068 742901461 /nfs/dbraw/zinc/90/14/61/742901461.db2.gz GAGVHNSCYJAOBC-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035707190 751793545 /nfs/dbraw/zinc/79/35/45/751793545.db2.gz NIMVNDHYZRWJLL-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102783166 743465367 /nfs/dbraw/zinc/46/53/67/743465367.db2.gz XQEIRZNKFVRLBS-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102783166 743465371 /nfs/dbraw/zinc/46/53/71/743465371.db2.gz XQEIRZNKFVRLBS-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102783166 743465374 /nfs/dbraw/zinc/46/53/74/743465374.db2.gz XQEIRZNKFVRLBS-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184810743 744106009 /nfs/dbraw/zinc/10/60/09/744106009.db2.gz REYGOPOYLPTQGX-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001186607593 744426799 /nfs/dbraw/zinc/42/67/99/744426799.db2.gz APPQUWKFHDXREV-OAHLLOKOSA-N 2 1 309.373 1.095 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992141412 744631686 /nfs/dbraw/zinc/63/16/86/744631686.db2.gz XLSMWROXOZQWOD-LSTDLKDCSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992141412 744631688 /nfs/dbraw/zinc/63/16/88/744631688.db2.gz XLSMWROXOZQWOD-LSTDLKDCSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992141412 744631691 /nfs/dbraw/zinc/63/16/91/744631691.db2.gz XLSMWROXOZQWOD-LSTDLKDCSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188112907 744661889 /nfs/dbraw/zinc/66/18/89/744661889.db2.gz QNTCUINDTSZCRS-ARFHVFGLSA-N 2 1 309.429 1.222 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127798 744831222 /nfs/dbraw/zinc/83/12/22/744831222.db2.gz ZUIKDWMBUCYYTD-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127798 744831226 /nfs/dbraw/zinc/83/12/26/744831226.db2.gz ZUIKDWMBUCYYTD-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189127798 744831228 /nfs/dbraw/zinc/83/12/28/744831228.db2.gz ZUIKDWMBUCYYTD-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992396541 744852205 /nfs/dbraw/zinc/85/22/05/744852205.db2.gz MMBYBQDUGIQXJX-WBVHZDCISA-N 2 1 302.422 1.652 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992409393 744861234 /nfs/dbraw/zinc/86/12/34/744861234.db2.gz MSFPIOJBKUVOPN-QAPCUYQASA-N 2 1 301.434 1.219 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035858519 751955953 /nfs/dbraw/zinc/95/59/53/751955953.db2.gz LXIMIDLSNPGLIR-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC000992712799 745137293 /nfs/dbraw/zinc/13/72/93/745137293.db2.gz OJKYFXLAIUPADM-HYVNUMGLSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080678 745419710 /nfs/dbraw/zinc/41/97/10/745419710.db2.gz KWISNKNMUDIVBD-INIZCTEOSA-N 2 1 310.401 1.812 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684138 745587142 /nfs/dbraw/zinc/58/71/42/745587142.db2.gz ONEHDEWTAALXOL-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191921336 745645713 /nfs/dbraw/zinc/64/57/13/745645713.db2.gz ALYUTGSIKMUCRL-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355896 745765547 /nfs/dbraw/zinc/76/55/47/745765547.db2.gz VFSXSLMWVXLQOE-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355896 745765552 /nfs/dbraw/zinc/76/55/52/745765552.db2.gz VFSXSLMWVXLQOE-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192406842 745787635 /nfs/dbraw/zinc/78/76/35/745787635.db2.gz NMXYLZGPTRDFBN-SFHVURJKSA-N 2 1 313.445 1.327 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406842 745787639 /nfs/dbraw/zinc/78/76/39/745787639.db2.gz NMXYLZGPTRDFBN-SFHVURJKSA-N 2 1 313.445 1.327 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406842 745787644 /nfs/dbraw/zinc/78/76/44/745787644.db2.gz NMXYLZGPTRDFBN-SFHVURJKSA-N 2 1 313.445 1.327 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598051 745837998 /nfs/dbraw/zinc/83/79/98/745837998.db2.gz ZTIQQSMIHLPOBC-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192598051 745838003 /nfs/dbraw/zinc/83/80/03/745838003.db2.gz ZTIQQSMIHLPOBC-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001192848354 745914853 /nfs/dbraw/zinc/91/48/53/745914853.db2.gz VQGTXKXTVGAVBH-KRWDZBQOSA-N 2 1 324.428 1.741 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993902748 746372751 /nfs/dbraw/zinc/37/27/51/746372751.db2.gz LHQNGLNMFFEBNO-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993902748 746372757 /nfs/dbraw/zinc/37/27/57/746372757.db2.gz LHQNGLNMFFEBNO-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001003005406 746900307 /nfs/dbraw/zinc/90/03/07/746900307.db2.gz SOOAMKFWUNABSS-HNNXBMFYSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559165 747218465 /nfs/dbraw/zinc/21/84/65/747218465.db2.gz NJPZZCNXMMAPAZ-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559165 747218469 /nfs/dbraw/zinc/21/84/69/747218469.db2.gz NJPZZCNXMMAPAZ-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559165 747218471 /nfs/dbraw/zinc/21/84/71/747218471.db2.gz NJPZZCNXMMAPAZ-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001036120064 752188524 /nfs/dbraw/zinc/18/85/24/752188524.db2.gz ZEMBFUMYNRSHKP-GJZGRUSLSA-N 2 1 314.433 1.222 20 30 DDEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031931708 748236356 /nfs/dbraw/zinc/23/63/56/748236356.db2.gz MGPQVCKQBBSHTM-HNNXBMFYSA-N 2 1 302.422 1.378 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200547965 748273714 /nfs/dbraw/zinc/27/37/14/748273714.db2.gz QLRDPZAWTOAIGX-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCO1 ZINC001200864928 748364297 /nfs/dbraw/zinc/36/42/97/748364297.db2.gz GTYSFDDYJFMGKK-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458415 748449851 /nfs/dbraw/zinc/44/98/51/748449851.db2.gz LYYCLYNJSOZVTL-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201930797 748629094 /nfs/dbraw/zinc/62/90/94/748629094.db2.gz GIAPNCNRUOZIFE-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147794 748696303 /nfs/dbraw/zinc/69/63/03/748696303.db2.gz JXMHQAJHLNPRFJ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202165015 748702798 /nfs/dbraw/zinc/70/27/98/748702798.db2.gz OVPSGXFJJNEPSI-AWEZNQCLSA-N 2 1 317.861 1.286 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001110684253 748892895 /nfs/dbraw/zinc/89/28/95/748892895.db2.gz BSXONLVCDXBMOF-VQHPVUNQSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684253 748892903 /nfs/dbraw/zinc/89/29/03/748892903.db2.gz BSXONLVCDXBMOF-VQHPVUNQSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001110684253 748892909 /nfs/dbraw/zinc/89/29/09/748892909.db2.gz BSXONLVCDXBMOF-VQHPVUNQSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033213284 748951078 /nfs/dbraw/zinc/95/10/78/748951078.db2.gz ZESKBKGHYBHDHH-KGLIPLIRSA-N 2 1 302.422 1.542 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033213284 748951083 /nfs/dbraw/zinc/95/10/83/748951083.db2.gz ZESKBKGHYBHDHH-KGLIPLIRSA-N 2 1 302.422 1.542 20 30 DDEDMP CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033222566 748976836 /nfs/dbraw/zinc/97/68/36/748976836.db2.gz HGASAPDSDMVFEZ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033222566 748976840 /nfs/dbraw/zinc/97/68/40/748976840.db2.gz HGASAPDSDMVFEZ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033222566 748976844 /nfs/dbraw/zinc/97/68/44/748976844.db2.gz HGASAPDSDMVFEZ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033222566 748976848 /nfs/dbraw/zinc/97/68/48/748976848.db2.gz HGASAPDSDMVFEZ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033222566 748976851 /nfs/dbraw/zinc/97/68/51/748976851.db2.gz HGASAPDSDMVFEZ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC=C)C[C@H]21 ZINC001114420170 749186949 /nfs/dbraw/zinc/18/69/49/749186949.db2.gz CWJRORVHEGVPBM-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC=C)C[C@H]21 ZINC001114420170 749186953 /nfs/dbraw/zinc/18/69/53/749186953.db2.gz CWJRORVHEGVPBM-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC=C)C[C@H]21 ZINC001114420170 749186956 /nfs/dbraw/zinc/18/69/56/749186956.db2.gz CWJRORVHEGVPBM-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC=C)C[C@H]21 ZINC001114420170 749186963 /nfs/dbraw/zinc/18/69/63/749186963.db2.gz CWJRORVHEGVPBM-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033415828 749313623 /nfs/dbraw/zinc/31/36/23/749313623.db2.gz LLTPWXREVSVWSR-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033415828 749313627 /nfs/dbraw/zinc/31/36/27/749313627.db2.gz LLTPWXREVSVWSR-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154013125 749340400 /nfs/dbraw/zinc/34/04/00/749340400.db2.gz XMTCZSNJUHFDFF-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191168 749411151 /nfs/dbraw/zinc/41/11/51/749411151.db2.gz UXIHOWASXIMBEN-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191168 749411153 /nfs/dbraw/zinc/41/11/53/749411153.db2.gz UXIHOWASXIMBEN-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786358 750073711 /nfs/dbraw/zinc/07/37/11/750073711.db2.gz YJTVYGBOZQHOPY-JKSUJKDBSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521073 750083115 /nfs/dbraw/zinc/08/31/15/750083115.db2.gz KRWPKFYYTXFXCG-NVXWUHKLSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039434870 762029615 /nfs/dbraw/zinc/02/96/15/762029615.db2.gz OQZWTZQEEQXDSH-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434870 762029626 /nfs/dbraw/zinc/02/96/26/762029626.db2.gz OQZWTZQEEQXDSH-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434870 762029640 /nfs/dbraw/zinc/02/96/40/762029640.db2.gz OQZWTZQEEQXDSH-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108394806 762037712 /nfs/dbraw/zinc/03/77/12/762037712.db2.gz KBYIRZDWGHWWCZ-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394806 762037718 /nfs/dbraw/zinc/03/77/18/762037718.db2.gz KBYIRZDWGHWWCZ-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108394806 762037726 /nfs/dbraw/zinc/03/77/26/762037726.db2.gz KBYIRZDWGHWWCZ-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089901788 750524436 /nfs/dbraw/zinc/52/44/36/750524436.db2.gz BAGRLPGCMCWYBJ-NXOAAHMSSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132997 750545288 /nfs/dbraw/zinc/54/52/88/750545288.db2.gz UYZUOKXOQXDJIS-AEFFLSMTSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001034732664 750778578 /nfs/dbraw/zinc/77/85/78/750778578.db2.gz GOOLSJWADJPXHY-JYJNAYRXSA-N 2 1 316.449 1.957 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032453712 750872835 /nfs/dbraw/zinc/87/28/35/750872835.db2.gz KVJDOTLRFZXHAE-BZSNNMDCSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032453712 750872841 /nfs/dbraw/zinc/87/28/41/750872841.db2.gz KVJDOTLRFZXHAE-BZSNNMDCSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032453712 750872848 /nfs/dbraw/zinc/87/28/48/750872848.db2.gz KVJDOTLRFZXHAE-BZSNNMDCSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCC1 ZINC001032453712 750872854 /nfs/dbraw/zinc/87/28/54/750872854.db2.gz KVJDOTLRFZXHAE-BZSNNMDCSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032453712 750872861 /nfs/dbraw/zinc/87/28/61/750872861.db2.gz KVJDOTLRFZXHAE-BZSNNMDCSA-N 2 1 315.461 1.559 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032538396 751223496 /nfs/dbraw/zinc/22/34/96/751223496.db2.gz PDLFEANXCOPJJF-YESZJQIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032538396 751223501 /nfs/dbraw/zinc/22/35/01/751223501.db2.gz PDLFEANXCOPJJF-YESZJQIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000715550 762124459 /nfs/dbraw/zinc/12/44/59/762124459.db2.gz SKLSKAXKJWLMGV-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000715550 762124463 /nfs/dbraw/zinc/12/44/63/762124463.db2.gz SKLSKAXKJWLMGV-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000715550 762124466 /nfs/dbraw/zinc/12/44/66/762124466.db2.gz SKLSKAXKJWLMGV-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001009172519 753097334 /nfs/dbraw/zinc/09/73/34/753097334.db2.gz ZXIOOSDDEIJCHE-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009172519 753097340 /nfs/dbraw/zinc/09/73/40/753097340.db2.gz ZXIOOSDDEIJCHE-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009172519 753097346 /nfs/dbraw/zinc/09/73/46/753097346.db2.gz ZXIOOSDDEIJCHE-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009172519 753097349 /nfs/dbraw/zinc/09/73/49/753097349.db2.gz ZXIOOSDDEIJCHE-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001009631426 753289693 /nfs/dbraw/zinc/28/96/93/753289693.db2.gz YIZIBIDJRXHMNF-DOTOQJQBSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)N(C)C ZINC001032803307 754116750 /nfs/dbraw/zinc/11/67/50/754116750.db2.gz PZXFFAFBBTYGTG-OKZBNKHCSA-N 2 1 311.429 1.598 20 30 DDEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)N(C)C ZINC001032803307 754116754 /nfs/dbraw/zinc/11/67/54/754116754.db2.gz PZXFFAFBBTYGTG-OKZBNKHCSA-N 2 1 311.429 1.598 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078725412 754320696 /nfs/dbraw/zinc/32/06/96/754320696.db2.gz NMJAQQABKODRDL-HUUCEWRRSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080992298 756178869 /nfs/dbraw/zinc/17/88/69/756178869.db2.gz CUSSAGBCLZFJCV-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@H]2C)CC1 ZINC001080997610 756180530 /nfs/dbraw/zinc/18/05/30/756180530.db2.gz GSCVCJCGUISJNQ-NVXWUHKLSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241637 762453560 /nfs/dbraw/zinc/45/35/60/762453560.db2.gz QJSLACYXMBQRCE-MJGOQNOKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607031 756408218 /nfs/dbraw/zinc/40/82/18/756408218.db2.gz HDSBLBWQWDHMQB-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607031 756408221 /nfs/dbraw/zinc/40/82/21/756408221.db2.gz HDSBLBWQWDHMQB-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607031 756408226 /nfs/dbraw/zinc/40/82/26/756408226.db2.gz HDSBLBWQWDHMQB-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607031 756408228 /nfs/dbraw/zinc/40/82/28/756408228.db2.gz HDSBLBWQWDHMQB-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788209 756459034 /nfs/dbraw/zinc/45/90/34/756459034.db2.gz ISOJTNNNFQXZTQ-GVDBMIGSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788209 756459037 /nfs/dbraw/zinc/45/90/37/756459037.db2.gz ISOJTNNNFQXZTQ-GVDBMIGSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788209 756459039 /nfs/dbraw/zinc/45/90/39/756459039.db2.gz ISOJTNNNFQXZTQ-GVDBMIGSSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651649 757234793 /nfs/dbraw/zinc/23/47/93/757234793.db2.gz JROHWDRZEBAOJX-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016792633 757357059 /nfs/dbraw/zinc/35/70/59/757357059.db2.gz UMOVHLLNLNFOEY-HRCADAONSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016828914 757388571 /nfs/dbraw/zinc/38/85/71/757388571.db2.gz JQTMWQNSWMLFNA-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016984365 757529666 /nfs/dbraw/zinc/52/96/66/757529666.db2.gz YJJUOECUYBSHBX-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040530938 762580428 /nfs/dbraw/zinc/58/04/28/762580428.db2.gz LMSDGNLCWOLHAL-SFHVURJKSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938945 758081069 /nfs/dbraw/zinc/08/10/69/758081069.db2.gz MCQJTDVALHCODD-IKGGRYGDSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938945 758081075 /nfs/dbraw/zinc/08/10/75/758081075.db2.gz MCQJTDVALHCODD-IKGGRYGDSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938945 758081085 /nfs/dbraw/zinc/08/10/85/758081085.db2.gz MCQJTDVALHCODD-IKGGRYGDSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962549 758101042 /nfs/dbraw/zinc/10/10/42/758101042.db2.gz UVFDAXRLUYUUHY-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962549 758101050 /nfs/dbraw/zinc/10/10/50/758101050.db2.gz UVFDAXRLUYUUHY-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962549 758101056 /nfs/dbraw/zinc/10/10/56/758101056.db2.gz UVFDAXRLUYUUHY-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050030 758109795 /nfs/dbraw/zinc/10/97/95/758109795.db2.gz BGDAJZKPZHPJMS-ZWKOTPCHSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018174664 758602548 /nfs/dbraw/zinc/60/25/48/758602548.db2.gz FTLZZBNKLPDSFC-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018174664 758602553 /nfs/dbraw/zinc/60/25/53/758602553.db2.gz FTLZZBNKLPDSFC-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054145166 759223006 /nfs/dbraw/zinc/22/30/06/759223006.db2.gz LMYIFKKBBOXCOS-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001054160142 759242785 /nfs/dbraw/zinc/24/27/85/759242785.db2.gz XBBAPFMSNQADOC-LJQANCHMSA-N 2 1 322.412 1.896 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046743219 767877046 /nfs/dbraw/zinc/87/70/46/767877046.db2.gz YHMPPXRVOCXFEU-SFHVURJKSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(=C)C)CC1 ZINC001085986972 760657444 /nfs/dbraw/zinc/65/74/44/760657444.db2.gz QOLAPSHPIVEAJN-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020251694 760724098 /nfs/dbraw/zinc/72/40/98/760724098.db2.gz ZRNYUQMBIGXXSK-BZSNNMDCSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCC2)C1 ZINC001020251694 760724109 /nfs/dbraw/zinc/72/41/09/760724109.db2.gz ZRNYUQMBIGXXSK-BZSNNMDCSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086132349 761035616 /nfs/dbraw/zinc/03/56/16/761035616.db2.gz NNCBYPRIXNMLMS-BETUJISGSA-N 2 1 306.410 1.410 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038694914 761296407 /nfs/dbraw/zinc/29/64/07/761296407.db2.gz AXEXTLIPHOMWIC-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038694914 761296412 /nfs/dbraw/zinc/29/64/12/761296412.db2.gz AXEXTLIPHOMWIC-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086386980 761529833 /nfs/dbraw/zinc/52/98/33/761529833.db2.gz MZNZJTLQWMKZPT-RBSFLKMASA-N 2 1 302.422 1.821 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC001000336050 761649881 /nfs/dbraw/zinc/64/98/81/761649881.db2.gz WTZNSQKNGCPIKA-MRXNPFEDSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC001000336050 761649885 /nfs/dbraw/zinc/64/98/85/761649885.db2.gz WTZNSQKNGCPIKA-MRXNPFEDSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173238 761796687 /nfs/dbraw/zinc/79/66/87/761796687.db2.gz QZHDFDVAFNTGFV-GOSISDBHSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001040848465 762704372 /nfs/dbraw/zinc/70/43/72/762704372.db2.gz JMBOIQNEROMBOU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404183 762831852 /nfs/dbraw/zinc/83/18/52/762831852.db2.gz HCZDEUQCIJVDHC-ZWKOTPCHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CC=C)C3)C2)CC1 ZINC001041844331 763399993 /nfs/dbraw/zinc/39/99/93/763399993.db2.gz GVZGSSRBXVOXOI-LJQANCHMSA-N 2 1 315.461 1.442 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844151 763400265 /nfs/dbraw/zinc/40/02/65/763400265.db2.gz DRWJJMRUUSOITJ-IBGZPJMESA-N 2 1 317.477 1.810 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050460582 763622088 /nfs/dbraw/zinc/62/20/88/763622088.db2.gz WVWHWJLZIWMUFS-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042135953 763693961 /nfs/dbraw/zinc/69/39/61/763693961.db2.gz ZKIXWQBQZUHTOC-CRAIPNDOSA-N 2 1 322.412 1.894 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235204 763796307 /nfs/dbraw/zinc/79/63/07/763796307.db2.gz SWQHENJNGWAHDH-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235204 763796316 /nfs/dbraw/zinc/79/63/16/763796316.db2.gz SWQHENJNGWAHDH-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235204 763796323 /nfs/dbraw/zinc/79/63/23/763796323.db2.gz SWQHENJNGWAHDH-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001050630395 763841575 /nfs/dbraw/zinc/84/15/75/763841575.db2.gz NUZALZJFLRFARV-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316707 763908487 /nfs/dbraw/zinc/90/84/87/763908487.db2.gz RIZMOKRQXZSWLP-RHSMWYFYSA-N 2 1 312.417 1.317 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042354366 763954805 /nfs/dbraw/zinc/95/48/05/763954805.db2.gz FRNBQVRELKJHLC-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042354366 763954807 /nfs/dbraw/zinc/95/48/07/763954807.db2.gz FRNBQVRELKJHLC-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579330 764423706 /nfs/dbraw/zinc/42/37/06/764423706.db2.gz IAAHYKLDAOWVJL-RDJZCZTQSA-N 2 1 300.406 1.043 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001112979781 765070620 /nfs/dbraw/zinc/07/06/20/765070620.db2.gz FOZLOCZLBKDSSH-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001112979781 765070624 /nfs/dbraw/zinc/07/06/24/765070624.db2.gz FOZLOCZLBKDSSH-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@@H](C)O2 ZINC001131678341 768269259 /nfs/dbraw/zinc/26/92/59/768269259.db2.gz XNMZDHHWUNYYGS-CRAIPNDOSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378197 765772916 /nfs/dbraw/zinc/77/29/16/765772916.db2.gz UBJGDSZXWDPPEV-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378197 765772919 /nfs/dbraw/zinc/77/29/19/765772919.db2.gz UBJGDSZXWDPPEV-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378197 765772921 /nfs/dbraw/zinc/77/29/21/765772921.db2.gz UBJGDSZXWDPPEV-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045556816 766399161 /nfs/dbraw/zinc/39/91/61/766399161.db2.gz MEWNSSCKXAPKIR-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001045925631 766708796 /nfs/dbraw/zinc/70/87/96/766708796.db2.gz UJZCBYSRQIGHNH-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001045925631 766708799 /nfs/dbraw/zinc/70/87/99/766708799.db2.gz UJZCBYSRQIGHNH-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001045925631 766708801 /nfs/dbraw/zinc/70/88/01/766708801.db2.gz UJZCBYSRQIGHNH-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001045925631 766708804 /nfs/dbraw/zinc/70/88/04/766708804.db2.gz UJZCBYSRQIGHNH-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001129855046 767017039 /nfs/dbraw/zinc/01/70/39/767017039.db2.gz BWCXUYNOQJVIBY-ZDUSSCGKSA-N 2 1 320.462 1.700 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001130296685 767415401 /nfs/dbraw/zinc/41/54/01/767415401.db2.gz ASIVLWYZEJNSCS-INIZCTEOSA-N 2 1 300.406 1.248 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412322 767506282 /nfs/dbraw/zinc/50/62/82/767506282.db2.gz OMPQDKYJMSYIMM-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577444 767706582 /nfs/dbraw/zinc/70/65/82/767706582.db2.gz XQDHEOFURNTRIA-MAUKXSAKSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577444 767706585 /nfs/dbraw/zinc/70/65/85/767706585.db2.gz XQDHEOFURNTRIA-MAUKXSAKSA-N 2 1 316.449 1.911 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107502 768632261 /nfs/dbraw/zinc/63/22/61/768632261.db2.gz ZNOFIPWOALYJCA-JKSUJKDBSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107502 768632265 /nfs/dbraw/zinc/63/22/65/768632265.db2.gz ZNOFIPWOALYJCA-JKSUJKDBSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107502 768632268 /nfs/dbraw/zinc/63/22/68/768632268.db2.gz ZNOFIPWOALYJCA-JKSUJKDBSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107502 768632272 /nfs/dbraw/zinc/63/22/72/768632272.db2.gz ZNOFIPWOALYJCA-JKSUJKDBSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735508 769976208 /nfs/dbraw/zinc/97/62/08/769976208.db2.gz NITOVPYIGDICDY-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735508 769976215 /nfs/dbraw/zinc/97/62/15/769976215.db2.gz NITOVPYIGDICDY-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001048869834 770021927 /nfs/dbraw/zinc/02/19/27/770021927.db2.gz FWGONNAEAMLHRU-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC3CC3)C[C@@H]2C1 ZINC001048869834 770021940 /nfs/dbraw/zinc/02/19/40/770021940.db2.gz FWGONNAEAMLHRU-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001048869834 770021953 /nfs/dbraw/zinc/02/19/53/770021953.db2.gz FWGONNAEAMLHRU-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001048869834 770021967 /nfs/dbraw/zinc/02/19/67/770021967.db2.gz FWGONNAEAMLHRU-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001133867209 770388421 /nfs/dbraw/zinc/38/84/21/770388421.db2.gz ROVTWGRIXRLBSU-YOEHRIQHSA-N 2 1 317.408 1.081 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116361 770402997 /nfs/dbraw/zinc/40/29/97/770402997.db2.gz LYPTWXZLGHTQCS-CALCHBBNSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]2C1 ZINC001049116361 770403003 /nfs/dbraw/zinc/40/30/03/770403003.db2.gz LYPTWXZLGHTQCS-CALCHBBNSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C)C2 ZINC001110103484 770444042 /nfs/dbraw/zinc/44/40/42/770444042.db2.gz WVFVQZGHMSWUCS-PMPSAXMXSA-N 2 1 318.421 1.116 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001110103484 770444057 /nfs/dbraw/zinc/44/40/57/770444057.db2.gz WVFVQZGHMSWUCS-PMPSAXMXSA-N 2 1 318.421 1.116 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170987 770494902 /nfs/dbraw/zinc/49/49/02/770494902.db2.gz HFZFWYGTAKIPSA-MWDXBVQZSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001086721302 770952075 /nfs/dbraw/zinc/95/20/75/770952075.db2.gz RDYRLQUCIASOKG-BBWFWOEESA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001086721302 770952083 /nfs/dbraw/zinc/95/20/83/770952083.db2.gz RDYRLQUCIASOKG-BBWFWOEESA-N 2 1 305.466 1.615 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806908 771175729 /nfs/dbraw/zinc/17/57/29/771175729.db2.gz PNBPEPPRUHMKIW-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134805626 771185538 /nfs/dbraw/zinc/18/55/38/771185538.db2.gz XLRULORUBLFCFU-QWHCGFSZSA-N 2 1 308.426 1.799 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678763 771646104 /nfs/dbraw/zinc/64/61/04/771646104.db2.gz HZNJGCDTSZFBRM-LSDHHAIUSA-N 2 1 304.438 1.868 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135689951 771655736 /nfs/dbraw/zinc/65/57/36/771655736.db2.gz CTOCGIBYXYIWHL-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073605453 773206258 /nfs/dbraw/zinc/20/62/58/773206258.db2.gz KZVJBUHJHDKZPD-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605453 773206261 /nfs/dbraw/zinc/20/62/61/773206261.db2.gz KZVJBUHJHDKZPD-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605453 773206265 /nfs/dbraw/zinc/20/62/65/773206265.db2.gz KZVJBUHJHDKZPD-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001148570478 773512162 /nfs/dbraw/zinc/51/21/62/773512162.db2.gz FQQZNCDYBVHGDB-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737305 773553533 /nfs/dbraw/zinc/55/35/33/773553533.db2.gz DMKVWSZSFFHBEQ-NUJGCVRESA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091737306 773553587 /nfs/dbraw/zinc/55/35/87/773553587.db2.gz DMKVWSZSFFHBEQ-RYRKJORJSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001086926946 773725233 /nfs/dbraw/zinc/72/52/33/773725233.db2.gz OEXSWWGZTVLTOZ-INIZCTEOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956284 773744071 /nfs/dbraw/zinc/74/40/71/773744071.db2.gz JKYMXQPYGAXRPS-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407366 773902407 /nfs/dbraw/zinc/90/24/07/773902407.db2.gz DLNBCFIZDYCEET-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407366 773902412 /nfs/dbraw/zinc/90/24/12/773902412.db2.gz DLNBCFIZDYCEET-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092829737 774285192 /nfs/dbraw/zinc/28/51/92/774285192.db2.gz DAVSWEKQVNSYQV-GDBMZVCRSA-N 2 1 310.401 1.655 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126564 774851995 /nfs/dbraw/zinc/85/19/95/774851995.db2.gz UMXOFXXXBDDGMQ-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001093597299 774902264 /nfs/dbraw/zinc/90/22/64/774902264.db2.gz ZARIZBGRQKHLGC-HNNXBMFYSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001093597299 774902268 /nfs/dbraw/zinc/90/22/68/774902268.db2.gz ZARIZBGRQKHLGC-HNNXBMFYSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341565 774952869 /nfs/dbraw/zinc/95/28/69/774952869.db2.gz JTPMBAMMSSGVAZ-YNEHKIRRSA-N 2 1 319.371 1.493 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099544313 775022969 /nfs/dbraw/zinc/02/29/69/775022969.db2.gz NSBHKSFUMQVKFI-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099593219 775054253 /nfs/dbraw/zinc/05/42/53/775054253.db2.gz UCKKAWBCCAKNRM-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099936867 775443488 /nfs/dbraw/zinc/44/34/88/775443488.db2.gz FTPGNAOXFHTZON-HOTGVXAUSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174913946 777632567 /nfs/dbraw/zinc/63/25/67/777632567.db2.gz UPYOJQFGKAOCIH-IAGOWNOFSA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174913946 777632573 /nfs/dbraw/zinc/63/25/73/777632573.db2.gz UPYOJQFGKAOCIH-IAGOWNOFSA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174913947 777632644 /nfs/dbraw/zinc/63/26/44/777632644.db2.gz UPYOJQFGKAOCIH-IRXDYDNUSA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174913947 777632646 /nfs/dbraw/zinc/63/26/46/777632646.db2.gz UPYOJQFGKAOCIH-IRXDYDNUSA-N 2 1 323.481 1.384 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC=C)C[C@H]1C ZINC001102056137 777839893 /nfs/dbraw/zinc/83/98/93/777839893.db2.gz PUUWFEFXDYMBBZ-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC=C)C[C@H]1C ZINC001102056137 777839903 /nfs/dbraw/zinc/83/99/03/777839903.db2.gz PUUWFEFXDYMBBZ-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC=C)C[C@H]1C ZINC001102056137 777839910 /nfs/dbraw/zinc/83/99/10/777839910.db2.gz PUUWFEFXDYMBBZ-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC=C)C[C@H]1C ZINC001102056137 777839917 /nfs/dbraw/zinc/83/99/17/777839917.db2.gz PUUWFEFXDYMBBZ-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176126125 778056542 /nfs/dbraw/zinc/05/65/42/778056542.db2.gz WDURFCCKMHKFMA-UHFFFAOYSA-N 2 1 311.389 1.359 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102385130 778110583 /nfs/dbraw/zinc/11/05/83/778110583.db2.gz UECXORGTRPGBDH-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434070 778137833 /nfs/dbraw/zinc/13/78/33/778137833.db2.gz NDEARWSPLJBPSC-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001103171155 778687548 /nfs/dbraw/zinc/68/75/48/778687548.db2.gz QNWMDLZDEUYPKZ-GDBMZVCRSA-N 2 1 324.428 1.964 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736623 779159774 /nfs/dbraw/zinc/15/97/74/779159774.db2.gz ZWFAWPQZYTTXSS-JYJNAYRXSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111951100 779575856 /nfs/dbraw/zinc/57/58/56/779575856.db2.gz SNZDVPDHWXMPTM-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111951100 779575859 /nfs/dbraw/zinc/57/58/59/779575859.db2.gz SNZDVPDHWXMPTM-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111951100 779575865 /nfs/dbraw/zinc/57/58/65/779575865.db2.gz SNZDVPDHWXMPTM-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001115116054 779884653 /nfs/dbraw/zinc/88/46/53/779884653.db2.gz JFTGPMRKAICYLY-MLHJIOFPSA-N 2 1 313.445 1.912 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001115116054 779884656 /nfs/dbraw/zinc/88/46/56/779884656.db2.gz JFTGPMRKAICYLY-MLHJIOFPSA-N 2 1 313.445 1.912 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001115116054 779884663 /nfs/dbraw/zinc/88/46/63/779884663.db2.gz JFTGPMRKAICYLY-MLHJIOFPSA-N 2 1 313.445 1.912 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297941 780015554 /nfs/dbraw/zinc/01/55/54/780015554.db2.gz KUKNLOBXLFQXBF-FOLVSLTJSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297941 780015560 /nfs/dbraw/zinc/01/55/60/780015560.db2.gz KUKNLOBXLFQXBF-FOLVSLTJSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001119310129 781400707 /nfs/dbraw/zinc/40/07/07/781400707.db2.gz WCYCFDHJPWIZHC-JYJNAYRXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001119310129 781400713 /nfs/dbraw/zinc/40/07/13/781400713.db2.gz WCYCFDHJPWIZHC-JYJNAYRXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC001119310129 781400719 /nfs/dbraw/zinc/40/07/19/781400719.db2.gz WCYCFDHJPWIZHC-JYJNAYRXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC001119310129 781400723 /nfs/dbraw/zinc/40/07/23/781400723.db2.gz WCYCFDHJPWIZHC-JYJNAYRXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001271772750 844100115 /nfs/dbraw/zinc/10/01/15/844100115.db2.gz UMCUQQZVYHEQIG-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266456363 836283447 /nfs/dbraw/zinc/28/34/47/836283447.db2.gz VGXTUNVCLBWIOO-WMZOPIPTSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266770581 836808190 /nfs/dbraw/zinc/80/81/90/836808190.db2.gz YWZVQNKHGNWYII-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266898239 837021548 /nfs/dbraw/zinc/02/15/48/837021548.db2.gz UBWYNPYHBIMITF-IRXDYDNUSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267061767 837271255 /nfs/dbraw/zinc/27/12/55/837271255.db2.gz SGYOWKHAGDLMQZ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001267496012 838180918 /nfs/dbraw/zinc/18/09/18/838180918.db2.gz KDAPYWFLJFQPSG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267496012 838180924 /nfs/dbraw/zinc/18/09/24/838180924.db2.gz KDAPYWFLJFQPSG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267496012 838180930 /nfs/dbraw/zinc/18/09/30/838180930.db2.gz KDAPYWFLJFQPSG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267496012 838180934 /nfs/dbraw/zinc/18/09/34/838180934.db2.gz KDAPYWFLJFQPSG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001267520679 838240441 /nfs/dbraw/zinc/24/04/41/838240441.db2.gz NDBRKUWUWGLICM-GOSISDBHSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267604647 838423881 /nfs/dbraw/zinc/42/38/81/838423881.db2.gz ZLHZOLHSLJDTPG-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001267715763 838713665 /nfs/dbraw/zinc/71/36/65/838713665.db2.gz BVOLSUHPPQFMTF-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001267715763 838713669 /nfs/dbraw/zinc/71/36/69/838713669.db2.gz BVOLSUHPPQFMTF-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267732967 838779856 /nfs/dbraw/zinc/77/98/56/838779856.db2.gz XAOGNCVIXPSVCT-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001267948340 839243518 /nfs/dbraw/zinc/24/35/18/839243518.db2.gz ZXXKRWYNLGHIBN-UHFFFAOYSA-N 2 1 309.454 1.113 20 30 DDEDMP C=C(C)CC[N@H+](C)CCN(C)C(=O)Cc1cnccc1OC ZINC001272049422 844449178 /nfs/dbraw/zinc/44/91/78/844449178.db2.gz QGHCIVHTMHLKMW-UHFFFAOYSA-N 2 1 305.422 1.989 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(CN2CCCC2)on1 ZINC001268747363 840751536 /nfs/dbraw/zinc/75/15/36/840751536.db2.gz RKOWPVAMMUDZEG-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268747363 840751550 /nfs/dbraw/zinc/75/15/50/840751550.db2.gz RKOWPVAMMUDZEG-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2C)CCCC1 ZINC001269584839 841789448 /nfs/dbraw/zinc/78/94/48/841789448.db2.gz NGMXBZGKZAHTBM-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001269737693 841989917 /nfs/dbraw/zinc/98/99/17/841989917.db2.gz LKEYCQARDGEYKJ-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001271726444 843811860 /nfs/dbraw/zinc/81/18/60/843811860.db2.gz DSXQCRNPFBLNGE-HOCLYGCPSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272871080 847569064 /nfs/dbraw/zinc/56/90/64/847569064.db2.gz VVGMBTSUUCZAAR-SFHVURJKSA-N 2 1 321.465 1.601 20 30 DDEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001273146142 848577747 /nfs/dbraw/zinc/57/77/47/848577747.db2.gz HYXKEAQFPVJDOA-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149849708 861940968 /nfs/dbraw/zinc/94/09/68/861940968.db2.gz UXYCPINOLJHUHX-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155313894 861952974 /nfs/dbraw/zinc/95/29/74/861952974.db2.gz JSDNBKVZRSIDPL-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150186709 862134812 /nfs/dbraw/zinc/13/48/12/862134812.db2.gz UHDDSIYOMGUFSN-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273487796 851020165 /nfs/dbraw/zinc/02/01/65/851020165.db2.gz QXQWLPZNKHJGQL-KRWDZBQOSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194399498 851215436 /nfs/dbraw/zinc/21/54/36/851215436.db2.gz GUKPEBIKZFYMIX-ARFHVFGLSA-N 2 1 321.465 1.131 20 30 DDEDMP C#CCNC(=O)[C@H]1CC12CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001274111394 851938294 /nfs/dbraw/zinc/93/82/94/851938294.db2.gz YICAMOXTCXTDIR-QGZVFWFLSA-N 2 1 322.412 1.686 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001274862160 852647877 /nfs/dbraw/zinc/64/78/77/852647877.db2.gz CHAFEUZYGJPBLQ-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)nc1)C2 ZINC001275296019 852962194 /nfs/dbraw/zinc/96/21/94/852962194.db2.gz ODANHKJGUPEPRY-UHFFFAOYSA-N 2 1 313.449 1.413 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001275432250 853110284 /nfs/dbraw/zinc/11/02/84/853110284.db2.gz ABDLWJCEIYPSKF-CHWSQXEVSA-N 2 1 308.426 1.799 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001275588948 853405149 /nfs/dbraw/zinc/40/51/49/853405149.db2.gz JMXHJJZZOCETIX-CVEARBPZSA-N 2 1 320.462 1.066 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001275588948 853405152 /nfs/dbraw/zinc/40/51/52/853405152.db2.gz JMXHJJZZOCETIX-CVEARBPZSA-N 2 1 320.462 1.066 20 30 DDEDMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccc(C#N)cc4)CC3)[C@H]2C1 ZINC001275828627 853829114 /nfs/dbraw/zinc/82/91/14/853829114.db2.gz DGIYCEFIPXKNSQ-IRXDYDNUSA-N 2 1 324.428 1.200 20 30 DDEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001276056797 854684275 /nfs/dbraw/zinc/68/42/75/854684275.db2.gz LBLSLGXRNHNLTK-MRXNPFEDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001276056797 854684278 /nfs/dbraw/zinc/68/42/78/854684278.db2.gz LBLSLGXRNHNLTK-MRXNPFEDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001151307989 862722737 /nfs/dbraw/zinc/72/27/37/862722737.db2.gz ILDGLICWOGKVFS-CVEARBPZSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732789 857650880 /nfs/dbraw/zinc/65/08/80/857650880.db2.gz YEDSYYIYXLQYHP-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732789 857650883 /nfs/dbraw/zinc/65/08/83/857650883.db2.gz YEDSYYIYXLQYHP-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732789 857650885 /nfs/dbraw/zinc/65/08/85/857650885.db2.gz YEDSYYIYXLQYHP-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847452 857793580 /nfs/dbraw/zinc/79/35/80/857793580.db2.gz JRVPBCDYOFTCHN-UHFFFAOYSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850300 857796660 /nfs/dbraw/zinc/79/66/60/857796660.db2.gz VMTOQLZJMAVSKQ-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850300 857796665 /nfs/dbraw/zinc/79/66/65/857796665.db2.gz VMTOQLZJMAVSKQ-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850300 857796671 /nfs/dbraw/zinc/79/66/71/857796671.db2.gz VMTOQLZJMAVSKQ-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072849933 857797429 /nfs/dbraw/zinc/79/74/29/857797429.db2.gz NZJIUWPDKQTNDR-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072849933 857797436 /nfs/dbraw/zinc/79/74/36/857797436.db2.gz NZJIUWPDKQTNDR-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072849933 857797440 /nfs/dbraw/zinc/79/74/40/857797440.db2.gz NZJIUWPDKQTNDR-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001121772835 858593386 /nfs/dbraw/zinc/59/33/86/858593386.db2.gz HXLSWZXWHRVOCQ-UICTUYQUSA-N 2 1 303.450 1.224 20 30 DDEDMP C=C(Cl)CN1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224560810 881449804 /nfs/dbraw/zinc/44/98/04/881449804.db2.gz XMYIHQDTYOICCQ-ZDUSSCGKSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224560810 881449823 /nfs/dbraw/zinc/44/98/23/881449823.db2.gz XMYIHQDTYOICCQ-ZDUSSCGKSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167966 860831967 /nfs/dbraw/zinc/83/19/67/860831967.db2.gz XMBQCPXXBPQKDH-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153819248 864130833 /nfs/dbraw/zinc/13/08/33/864130833.db2.gz UGWYQONFWUHIOP-HZPDHXFCSA-N 2 1 321.469 1.216 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153819248 864130839 /nfs/dbraw/zinc/13/08/39/864130839.db2.gz UGWYQONFWUHIOP-HZPDHXFCSA-N 2 1 321.469 1.216 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCOC(C)C ZINC001153868423 864180791 /nfs/dbraw/zinc/18/07/91/864180791.db2.gz RIFBYRDZVJUTBJ-SJORKVTESA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCOC(C)C ZINC001153868423 864180799 /nfs/dbraw/zinc/18/07/99/864180799.db2.gz RIFBYRDZVJUTBJ-SJORKVTESA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOC(C)C ZINC001153868423 864180807 /nfs/dbraw/zinc/18/08/07/864180807.db2.gz RIFBYRDZVJUTBJ-SJORKVTESA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCOC(C)C ZINC001153868423 864180810 /nfs/dbraw/zinc/18/08/10/864180810.db2.gz RIFBYRDZVJUTBJ-SJORKVTESA-N 2 1 323.481 1.336 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123432 864429934 /nfs/dbraw/zinc/42/99/34/864429934.db2.gz ZIPSQEZFWOFUHT-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123432 864429940 /nfs/dbraw/zinc/42/99/40/864429940.db2.gz ZIPSQEZFWOFUHT-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123432 864429947 /nfs/dbraw/zinc/42/99/47/864429947.db2.gz ZIPSQEZFWOFUHT-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC001158507690 864696721 /nfs/dbraw/zinc/69/67/21/864696721.db2.gz MUSJEQZBQKCDHC-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001158507690 864696731 /nfs/dbraw/zinc/69/67/31/864696731.db2.gz MUSJEQZBQKCDHC-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001158507690 864696736 /nfs/dbraw/zinc/69/67/36/864696736.db2.gz MUSJEQZBQKCDHC-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[N@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001331029110 864786588 /nfs/dbraw/zinc/78/65/88/864786588.db2.gz NAXIRVPHLLIRMY-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001160209814 865730268 /nfs/dbraw/zinc/73/02/68/865730268.db2.gz XLVQWISLRYSOCM-AEFFLSMTSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC001160209814 865730276 /nfs/dbraw/zinc/73/02/76/865730276.db2.gz XLVQWISLRYSOCM-AEFFLSMTSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001332664928 866045300 /nfs/dbraw/zinc/04/53/00/866045300.db2.gz OBQWTESYQTVUPL-SJORKVTESA-N 2 1 323.481 1.025 20 30 DDEDMP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001333047712 866370067 /nfs/dbraw/zinc/37/00/67/866370067.db2.gz BKWWPQVVAPKOSK-OFLPRAFFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001333047712 866370081 /nfs/dbraw/zinc/37/00/81/866370081.db2.gz BKWWPQVVAPKOSK-OFLPRAFFSA-N 2 1 323.481 1.642 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001381503349 881971346 /nfs/dbraw/zinc/97/13/46/881971346.db2.gz RGCAHQZUCOPLGD-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001381503349 881971350 /nfs/dbraw/zinc/97/13/50/881971350.db2.gz RGCAHQZUCOPLGD-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001381503349 881971363 /nfs/dbraw/zinc/97/13/63/881971363.db2.gz RGCAHQZUCOPLGD-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001323271855 866489528 /nfs/dbraw/zinc/48/95/28/866489528.db2.gz AXHMMFUQYLUNGU-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001323271855 866489533 /nfs/dbraw/zinc/48/95/33/866489533.db2.gz AXHMMFUQYLUNGU-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001323271855 866489537 /nfs/dbraw/zinc/48/95/37/866489537.db2.gz AXHMMFUQYLUNGU-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001161698947 866901651 /nfs/dbraw/zinc/90/16/51/866901651.db2.gz GXGJSSNIRPQRMY-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171151 867313879 /nfs/dbraw/zinc/31/38/79/867313879.db2.gz JXXHQXYCDMPCOY-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001324656123 867431829 /nfs/dbraw/zinc/43/18/29/867431829.db2.gz KLEZZELSGBWIRB-FUHWJXTLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001324660761 867435379 /nfs/dbraw/zinc/43/53/79/867435379.db2.gz JUUOBUDPIOBDOW-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)(COC)CC1 ZINC001162482444 867567966 /nfs/dbraw/zinc/56/79/66/867567966.db2.gz PEDUPLTUVRNHDX-CVEARBPZSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)(COC)CC1 ZINC001162618092 867683988 /nfs/dbraw/zinc/68/39/88/867683988.db2.gz XEWUQPTVDHKUAH-UHFFFAOYSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001325006114 867693907 /nfs/dbraw/zinc/69/39/07/867693907.db2.gz ZZJUZLFESISLPV-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001162747545 867797675 /nfs/dbraw/zinc/79/76/75/867797675.db2.gz YUYQALSVCZAIBP-GOSISDBHSA-N 2 1 315.461 1.928 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001325263054 867899753 /nfs/dbraw/zinc/89/97/53/867899753.db2.gz FJERYCNYCWXOLI-JYJNAYRXSA-N 2 1 323.481 1.234 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243465 868072852 /nfs/dbraw/zinc/07/28/52/868072852.db2.gz FYCBSUCAKLYPOR-YOEHRIQHSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322243465 868072863 /nfs/dbraw/zinc/07/28/63/868072863.db2.gz FYCBSUCAKLYPOR-YOEHRIQHSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001322243465 868072877 /nfs/dbraw/zinc/07/28/77/868072877.db2.gz FYCBSUCAKLYPOR-YOEHRIQHSA-N 2 1 311.445 1.659 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501120 869237506 /nfs/dbraw/zinc/23/75/06/869237506.db2.gz SLOGKRQJYLCKFH-QGZVFWFLSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531353 869264512 /nfs/dbraw/zinc/26/45/12/869264512.db2.gz FLNVASIAWRQIMU-DLBZAZTESA-N 2 1 317.477 1.760 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316992989 870090800 /nfs/dbraw/zinc/09/08/00/870090800.db2.gz WLTCKBPJALULLF-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316992989 870090815 /nfs/dbraw/zinc/09/08/15/870090815.db2.gz WLTCKBPJALULLF-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316992989 870090829 /nfs/dbraw/zinc/09/08/29/870090829.db2.gz WLTCKBPJALULLF-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316992989 870090844 /nfs/dbraw/zinc/09/08/44/870090844.db2.gz WLTCKBPJALULLF-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001317193042 870959537 /nfs/dbraw/zinc/95/95/37/870959537.db2.gz ONYXXXYGCMOQQH-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317840813 871577275 /nfs/dbraw/zinc/57/72/75/871577275.db2.gz VKORKQJXBABYIT-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317840813 871577288 /nfs/dbraw/zinc/57/72/88/871577288.db2.gz VKORKQJXBABYIT-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317840813 871577306 /nfs/dbraw/zinc/57/73/06/871577306.db2.gz VKORKQJXBABYIT-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CCN1CCC(N(C)C(=O)CCc2cncn2C)CC1 ZINC001316938387 871853574 /nfs/dbraw/zinc/85/35/74/871853574.db2.gz XQGCYDBFAQVASZ-UHFFFAOYSA-N 2 1 302.422 1.299 20 30 DDEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001316703544 871868407 /nfs/dbraw/zinc/86/84/07/871868407.db2.gz LHELKFWEJPHOSR-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206031945 872004898 /nfs/dbraw/zinc/00/48/98/872004898.db2.gz ZLAJOSMSTCVJSH-KRWDZBQOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206031945 872004920 /nfs/dbraw/zinc/00/49/20/872004920.db2.gz ZLAJOSMSTCVJSH-KRWDZBQOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001479240128 872047724 /nfs/dbraw/zinc/04/77/24/872047724.db2.gz ZYJALVRPYWHYTF-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001479240128 872047747 /nfs/dbraw/zinc/04/77/47/872047747.db2.gz ZYJALVRPYWHYTF-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479240128 872047769 /nfs/dbraw/zinc/04/77/69/872047769.db2.gz ZYJALVRPYWHYTF-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001479240128 872047790 /nfs/dbraw/zinc/04/77/90/872047790.db2.gz ZYJALVRPYWHYTF-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001319248712 872520293 /nfs/dbraw/zinc/52/02/93/872520293.db2.gz AWHNIAQMKKOGDS-IRXDYDNUSA-N 2 1 323.481 1.241 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331459 874020225 /nfs/dbraw/zinc/02/02/25/874020225.db2.gz SMDUVFCTUTUTFO-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028964 882784878 /nfs/dbraw/zinc/78/48/78/882784878.db2.gz VPACPXYEKSIXRS-QBPKDAKJSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028964 882784886 /nfs/dbraw/zinc/78/48/86/882784886.db2.gz VPACPXYEKSIXRS-QBPKDAKJSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208707490 874402142 /nfs/dbraw/zinc/40/21/42/874402142.db2.gz LEZXCTWILYUEQT-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCCN2C)C(C)(C)C1 ZINC001276593984 874487003 /nfs/dbraw/zinc/48/70/03/874487003.db2.gz SENYBHGCHUMNBY-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001276593984 874487026 /nfs/dbraw/zinc/48/70/26/874487026.db2.gz SENYBHGCHUMNBY-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593984 874487039 /nfs/dbraw/zinc/48/70/39/874487039.db2.gz SENYBHGCHUMNBY-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593984 874487047 /nfs/dbraw/zinc/48/70/47/874487047.db2.gz SENYBHGCHUMNBY-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC001348446629 874564501 /nfs/dbraw/zinc/56/45/01/874564501.db2.gz IQJSHDURPPIZAN-HOCLYGCPSA-N 2 1 307.438 1.298 20 30 DDEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001209728319 875082772 /nfs/dbraw/zinc/08/27/72/875082772.db2.gz QJMZXRVWBXHRFY-UHFFFAOYSA-N 2 1 316.405 1.715 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213721442 876031295 /nfs/dbraw/zinc/03/12/95/876031295.db2.gz OQZOKPBKQJFLTA-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213721442 876031311 /nfs/dbraw/zinc/03/13/11/876031311.db2.gz OQZOKPBKQJFLTA-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213721442 876031327 /nfs/dbraw/zinc/03/13/27/876031327.db2.gz OQZOKPBKQJFLTA-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662106 876432111 /nfs/dbraw/zinc/43/21/11/876432111.db2.gz UOCGBUOVEYTZBN-BZUAXINKSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539835 876745977 /nfs/dbraw/zinc/74/59/77/876745977.db2.gz AEHQPMHYLODLSC-IIDMSEBBSA-N 2 1 323.456 1.659 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001379449890 877105453 /nfs/dbraw/zinc/10/54/53/877105453.db2.gz VPXQUQSMKLXHPS-CYBMUJFWSA-N 2 1 320.412 1.633 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001276775567 877415615 /nfs/dbraw/zinc/41/56/15/877415615.db2.gz LLYXDAWEPCXISK-CALCHBBNSA-N 2 1 314.433 1.409 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC001276775567 877415617 /nfs/dbraw/zinc/41/56/17/877415617.db2.gz LLYXDAWEPCXISK-CALCHBBNSA-N 2 1 314.433 1.409 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001218646524 877636997 /nfs/dbraw/zinc/63/69/97/877636997.db2.gz SUXUIRPXYVSBQA-HRCADAONSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095668 879493577 /nfs/dbraw/zinc/49/35/77/879493577.db2.gz HIZSLPMXNGTIEC-IKGGRYGDSA-N 2 1 317.433 1.027 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095668 879493585 /nfs/dbraw/zinc/49/35/85/879493585.db2.gz HIZSLPMXNGTIEC-IKGGRYGDSA-N 2 1 317.433 1.027 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877963 880129121 /nfs/dbraw/zinc/12/91/21/880129121.db2.gz UGGKLQKPHRNGSA-KZNAEPCWSA-N 2 1 319.493 1.909 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877963 880129127 /nfs/dbraw/zinc/12/91/27/880129127.db2.gz UGGKLQKPHRNGSA-KZNAEPCWSA-N 2 1 319.493 1.909 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945186 880161413 /nfs/dbraw/zinc/16/14/13/880161413.db2.gz IBMUJSJNQAGLPN-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945186 880161420 /nfs/dbraw/zinc/16/14/20/880161420.db2.gz IBMUJSJNQAGLPN-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945186 880161429 /nfs/dbraw/zinc/16/14/29/880161429.db2.gz IBMUJSJNQAGLPN-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223248342 880884111 /nfs/dbraw/zinc/88/41/11/880884111.db2.gz IUUSOZXKUHZCKM-NVXWUHKLSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001228826857 883688861 /nfs/dbraw/zinc/68/88/61/883688861.db2.gz NUWTVXWWKZTJSS-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001228826857 883688871 /nfs/dbraw/zinc/68/88/71/883688871.db2.gz NUWTVXWWKZTJSS-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001230306791 884421257 /nfs/dbraw/zinc/42/12/57/884421257.db2.gz DBYGYILUQWYWOF-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230306791 884421263 /nfs/dbraw/zinc/42/12/63/884421263.db2.gz DBYGYILUQWYWOF-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235411900 888627884 /nfs/dbraw/zinc/62/78/84/888627884.db2.gz YNXALDHRJWNDHX-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C1CCC1 ZINC001235411900 888627893 /nfs/dbraw/zinc/62/78/93/888627893.db2.gz YNXALDHRJWNDHX-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001235411900 888627903 /nfs/dbraw/zinc/62/79/03/888627903.db2.gz YNXALDHRJWNDHX-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001235411900 888627915 /nfs/dbraw/zinc/62/79/15/888627915.db2.gz YNXALDHRJWNDHX-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001277946395 888650665 /nfs/dbraw/zinc/65/06/65/888650665.db2.gz UWCRLXZXNMBTST-NXHRZFHOSA-N 2 1 313.445 1.402 20 30 DDEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001278140221 889833875 /nfs/dbraw/zinc/83/38/75/889833875.db2.gz ZBJDWANATPCBDB-DOTOQJQBSA-N 2 1 323.481 1.426 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001365973274 892095363 /nfs/dbraw/zinc/09/53/63/892095363.db2.gz FSOPKEGCGSHTIM-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001365973274 892095382 /nfs/dbraw/zinc/09/53/82/892095382.db2.gz FSOPKEGCGSHTIM-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)CCCCC ZINC001246002663 892319401 /nfs/dbraw/zinc/31/94/01/892319401.db2.gz REYZAYDXVRFRFR-GJZGRUSLSA-N 2 1 300.443 1.744 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246637668 892757577 /nfs/dbraw/zinc/75/75/77/892757577.db2.gz IPDPEACUPMKKCD-QZTJIDSGSA-N 2 1 324.428 1.599 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246637668 892757582 /nfs/dbraw/zinc/75/75/82/892757582.db2.gz IPDPEACUPMKKCD-QZTJIDSGSA-N 2 1 324.428 1.599 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001278503259 893583673 /nfs/dbraw/zinc/58/36/73/893583673.db2.gz ACBVVNGLKISWFN-HKUYNNGSSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001278503259 893583690 /nfs/dbraw/zinc/58/36/90/893583690.db2.gz ACBVVNGLKISWFN-HKUYNNGSSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278569944 894291904 /nfs/dbraw/zinc/29/19/04/894291904.db2.gz AWPCQMFGWWJATB-OLZOCXBDSA-N 2 1 306.410 1.410 20 30 DDEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001278688267 895564627 /nfs/dbraw/zinc/56/46/27/895564627.db2.gz VYKYIEWEXMECGI-GOSISDBHSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001278688267 895564638 /nfs/dbraw/zinc/56/46/38/895564638.db2.gz VYKYIEWEXMECGI-GOSISDBHSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001278688267 895564650 /nfs/dbraw/zinc/56/46/50/895564650.db2.gz VYKYIEWEXMECGI-GOSISDBHSA-N 2 1 307.482 1.960 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001374929090 914369943 /nfs/dbraw/zinc/36/99/43/914369943.db2.gz QMQLEDFZQVZKOC-UONOGXRCSA-N 2 1 301.862 1.955 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265391102 901959162 /nfs/dbraw/zinc/95/91/62/901959162.db2.gz UAVVIAUBJYPEJJ-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265391102 901959176 /nfs/dbraw/zinc/95/91/76/901959176.db2.gz UAVVIAUBJYPEJJ-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265391102 901959194 /nfs/dbraw/zinc/95/91/94/901959194.db2.gz UAVVIAUBJYPEJJ-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001265523886 902091583 /nfs/dbraw/zinc/09/15/83/902091583.db2.gz QNYPFYKGGKZWAN-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586472 902162100 /nfs/dbraw/zinc/16/21/00/902162100.db2.gz HYKWHEFUCDHWGP-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586472 902162110 /nfs/dbraw/zinc/16/21/10/902162110.db2.gz HYKWHEFUCDHWGP-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001265708698 902329879 /nfs/dbraw/zinc/32/98/79/902329879.db2.gz RZFYWUXKVBKZMV-IRXDYDNUSA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001265708698 902329892 /nfs/dbraw/zinc/32/98/92/902329892.db2.gz RZFYWUXKVBKZMV-IRXDYDNUSA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001265708698 902329903 /nfs/dbraw/zinc/32/99/03/902329903.db2.gz RZFYWUXKVBKZMV-IRXDYDNUSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001266195168 903084592 /nfs/dbraw/zinc/08/45/92/903084592.db2.gz OWOPLBQQWBGLJM-HNNXBMFYSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCC1 ZINC001280534432 903773089 /nfs/dbraw/zinc/77/30/89/903773089.db2.gz XCXXQGPOPODKRM-KRWDZBQOSA-N 2 1 321.465 1.303 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392593620 904557420 /nfs/dbraw/zinc/55/74/20/904557420.db2.gz RUBDJWYYIFZMKB-CABCVRRESA-N 2 1 314.433 1.494 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001371268309 904609583 /nfs/dbraw/zinc/60/95/83/904609583.db2.gz PYPNLRNGTGDOQU-ZIAGYGMSSA-N 2 1 301.862 1.954 20 30 DDEDMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001371366557 904808337 /nfs/dbraw/zinc/80/83/37/904808337.db2.gz XKXWZRVYHOCEMH-STQMWFEESA-N 2 1 320.462 1.556 20 30 DDEDMP CC#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCCC1 ZINC001282624656 905907851 /nfs/dbraw/zinc/90/78/51/905907851.db2.gz MHSNLUATERPGTM-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001284227126 908689552 /nfs/dbraw/zinc/68/95/52/908689552.db2.gz QDRDVXBKGBJYFT-HOTGVXAUSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001284876194 909614177 /nfs/dbraw/zinc/61/41/77/909614177.db2.gz PCNCNVYMLFHQDR-OAHLLOKOSA-N 2 1 320.437 1.005 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492611 355599479 /nfs/dbraw/zinc/59/94/79/355599479.db2.gz BSLDDQFHRAJIKA-KKUMJFAQSA-N 2 1 322.453 1.098 20 30 DDEDMP Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C#N ZINC000600704656 358287667 /nfs/dbraw/zinc/28/76/67/358287667.db2.gz OYHNPXGZTDUICG-OAHLLOKOSA-N 2 1 300.406 1.154 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110014 359408189 /nfs/dbraw/zinc/40/81/89/359408189.db2.gz JJPXPMOLSQNFAP-UHFFFAOYSA-N 2 1 308.470 1.946 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330183208 223083199 /nfs/dbraw/zinc/08/31/99/223083199.db2.gz HUHHVUJJXZWOAW-HOCLYGCPSA-N 2 1 317.437 1.807 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000330183208 223083200 /nfs/dbraw/zinc/08/32/00/223083200.db2.gz HUHHVUJJXZWOAW-HOCLYGCPSA-N 2 1 317.437 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000076482140 406970949 /nfs/dbraw/zinc/97/09/49/406970949.db2.gz SWMHMLXRDRKCTE-WBVHZDCISA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000172584903 407839075 /nfs/dbraw/zinc/83/90/75/407839075.db2.gz CZLNPBMFYOJVMP-INIZCTEOSA-N 2 1 308.470 1.618 20 30 DDEDMP CC(C)CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273009305 408022120 /nfs/dbraw/zinc/02/21/20/408022120.db2.gz VQCQLGCJSSSUGG-KRWDZBQOSA-N 2 1 318.465 1.704 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(C#N)c1 ZINC000182956060 408291249 /nfs/dbraw/zinc/29/12/49/408291249.db2.gz MQXPAYCZIHFIES-UHFFFAOYSA-N 2 1 304.413 1.767 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162459184 408704928 /nfs/dbraw/zinc/70/49/28/408704928.db2.gz UKPVMCPDMQCKOM-CRAIPNDOSA-N 2 1 318.465 1.980 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285784493 408863026 /nfs/dbraw/zinc/86/30/26/408863026.db2.gz UILGOLICSNNBLI-OAHLLOKOSA-N 2 1 320.437 1.794 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285784493 408863028 /nfs/dbraw/zinc/86/30/28/408863028.db2.gz UILGOLICSNNBLI-OAHLLOKOSA-N 2 1 320.437 1.794 20 30 DDEDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C#N)cc2F)CC1(C)C ZINC000282294551 409028278 /nfs/dbraw/zinc/02/82/78/409028278.db2.gz JGHIERGFMKRQPV-UHFFFAOYSA-N 2 1 304.413 1.813 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303890917 409557653 /nfs/dbraw/zinc/55/76/53/409557653.db2.gz QHNKIWFEKIDTGT-RDJZCZTQSA-N 2 1 318.465 1.490 20 30 DDEDMP CO[C@@H]1C[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342138047 409565619 /nfs/dbraw/zinc/56/56/19/409565619.db2.gz SGNFGUMJKCUAQH-WNRNVDISSA-N 2 1 308.466 1.703 20 30 DDEDMP CNC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(OC)cc1)=[NH+]C ZINC000304217265 409582509 /nfs/dbraw/zinc/58/25/09/409582509.db2.gz HCVXIPSFCGFZEC-GOEBONIOSA-N 2 1 304.438 1.873 20 30 DDEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000333221930 410429270 /nfs/dbraw/zinc/42/92/70/410429270.db2.gz ACQUKFOAOWBCBE-IXEWLPCDSA-N 2 1 324.428 1.926 20 30 DDEDMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353429563 410981971 /nfs/dbraw/zinc/98/19/71/410981971.db2.gz UHKSZIGZGTWKBX-KRWDZBQOSA-N 2 1 312.417 1.299 20 30 DDEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000360338120 411129502 /nfs/dbraw/zinc/12/95/02/411129502.db2.gz OXVJCQQTNZOCAV-HOCLYGCPSA-N 2 1 300.406 1.126 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000360338120 411129505 /nfs/dbraw/zinc/12/95/05/411129505.db2.gz OXVJCQQTNZOCAV-HOCLYGCPSA-N 2 1 300.406 1.126 20 30 DDEDMP C[C@@H]1C[N@@H+](CCCSCC#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360691927 418492731 /nfs/dbraw/zinc/49/27/31/418492731.db2.gz NQVJVAHDHNHJEY-HZPDHXFCSA-N 2 1 310.511 1.591 20 30 DDEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCS[C@@H](C(C)C)C1 ZINC000261712893 222255340 /nfs/dbraw/zinc/25/53/40/222255340.db2.gz HLNXWJXYSUWNQV-UONOGXRCSA-N 2 1 300.516 1.975 20 30 DDEDMP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1CCC[N@H+]1C ZINC000261839668 222259406 /nfs/dbraw/zinc/25/94/06/222259406.db2.gz WJXIQWGANRZKBF-ZDUSSCGKSA-N 2 1 309.483 1.562 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCOCC2)cc1F ZINC000261967621 222265336 /nfs/dbraw/zinc/26/53/36/222265336.db2.gz BZBWBFYQWVZZNN-UHFFFAOYSA-N 2 1 317.368 1.467 20 30 DDEDMP Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1F ZINC000264136392 222324292 /nfs/dbraw/zinc/32/42/92/222324292.db2.gz VJTJANNGLMXRRY-UHFFFAOYSA-N 2 1 308.401 1.261 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCC[NH+]2CCOCC2)cc1OC ZINC000264144675 222325496 /nfs/dbraw/zinc/32/54/96/222325496.db2.gz XMUMHXYUAQHPGS-UHFFFAOYSA-N 2 1 322.409 1.153 20 30 DDEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1=[NH+]CCN1C ZINC000263144498 222303488 /nfs/dbraw/zinc/30/34/88/222303488.db2.gz OPDGQHORKIWAJP-IAGOWNOFSA-N 2 1 316.449 1.415 20 30 DDEDMP C[NH+]=C(NCc1ccccc1C[NH+]1CCOCC1)NC1CC1 ZINC000264042334 222311624 /nfs/dbraw/zinc/31/16/24/222311624.db2.gz JLDJDEPWKIAKFM-UHFFFAOYSA-N 2 1 302.422 1.346 20 30 DDEDMP Cc1ccccc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264074093 222313989 /nfs/dbraw/zinc/31/39/89/222313989.db2.gz GXBOVSPPGVFWBW-UHFFFAOYSA-N 2 1 304.438 1.164 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377981068 418717714 /nfs/dbraw/zinc/71/77/14/418717714.db2.gz DQVABAJXTNEVIW-CQSZACIVSA-N 2 1 303.410 1.454 20 30 DDEDMP Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000364714616 418803397 /nfs/dbraw/zinc/80/33/97/418803397.db2.gz CBLDZOGEJBLDCE-PVAVHDDUSA-N 2 1 302.422 1.580 20 30 DDEDMP Cn1cc(C[N@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000364714616 418803399 /nfs/dbraw/zinc/80/33/99/418803399.db2.gz CBLDZOGEJBLDCE-PVAVHDDUSA-N 2 1 302.422 1.580 20 30 DDEDMP C[C@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418512973 419847393 /nfs/dbraw/zinc/84/73/93/419847393.db2.gz LXKFKMLMLJIUEZ-CQSZACIVSA-N 2 1 315.421 1.123 20 30 DDEDMP C[C@@H](C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431058753 420236467 /nfs/dbraw/zinc/23/64/67/420236467.db2.gz UHEBHMDMRJCACM-HNNXBMFYSA-N 2 1 320.481 1.801 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000533560089 421678569 /nfs/dbraw/zinc/67/85/69/421678569.db2.gz ZQKXRYJORCTWPZ-UHFFFAOYSA-N 2 1 310.361 1.285 20 30 DDEDMP COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534211305 421684844 /nfs/dbraw/zinc/68/48/44/421684844.db2.gz PZDSKQHSGOITNT-HOTGVXAUSA-N 2 1 324.384 1.995 20 30 DDEDMP C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000377672951 267052480 /nfs/dbraw/zinc/05/24/80/267052480.db2.gz HZTCQMRIDKQNFY-OAHLLOKOSA-N 2 1 315.465 1.497 20 30 DDEDMP C[C@@H]1CN(Cc2cc(C#N)n(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000377672951 267052483 /nfs/dbraw/zinc/05/24/83/267052483.db2.gz HZTCQMRIDKQNFY-OAHLLOKOSA-N 2 1 315.465 1.497 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000491264043 526808915 /nfs/dbraw/zinc/80/89/15/526808915.db2.gz DOAPCMYWZDIOKU-INIZCTEOSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000491264043 526808920 /nfs/dbraw/zinc/80/89/20/526808920.db2.gz DOAPCMYWZDIOKU-INIZCTEOSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000491264043 526808921 /nfs/dbraw/zinc/80/89/21/526808921.db2.gz DOAPCMYWZDIOKU-INIZCTEOSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000491708835 526809183 /nfs/dbraw/zinc/80/91/83/526809183.db2.gz IICDAGYTLACZOG-UHFFFAOYSA-N 2 1 306.454 1.117 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000491731840 526812364 /nfs/dbraw/zinc/81/23/64/526812364.db2.gz LBYZFMHUDKRGPA-KRWDZBQOSA-N 2 1 320.481 1.315 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000491731840 526812369 /nfs/dbraw/zinc/81/23/69/526812369.db2.gz LBYZFMHUDKRGPA-KRWDZBQOSA-N 2 1 320.481 1.315 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000491731840 526812376 /nfs/dbraw/zinc/81/23/76/526812376.db2.gz LBYZFMHUDKRGPA-KRWDZBQOSA-N 2 1 320.481 1.315 20 30 DDEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000347205619 526898921 /nfs/dbraw/zinc/89/89/21/526898921.db2.gz MASSHJPHMQIPED-INIZCTEOSA-N 2 1 317.433 1.538 20 30 DDEDMP C#CCNC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000491120128 526977758 /nfs/dbraw/zinc/97/77/58/526977758.db2.gz LKAKMOJSLHWVLD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000491120128 526977764 /nfs/dbraw/zinc/97/77/64/526977764.db2.gz LKAKMOJSLHWVLD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000491120128 526977768 /nfs/dbraw/zinc/97/77/68/526977768.db2.gz LKAKMOJSLHWVLD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974652000 695704595 /nfs/dbraw/zinc/70/45/95/695704595.db2.gz OKCDBNMECFXNIM-IAGOWNOFSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652000 695704598 /nfs/dbraw/zinc/70/45/98/695704598.db2.gz OKCDBNMECFXNIM-IAGOWNOFSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652000 695704599 /nfs/dbraw/zinc/70/45/99/695704599.db2.gz OKCDBNMECFXNIM-IAGOWNOFSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978271597 696355446 /nfs/dbraw/zinc/35/54/46/696355446.db2.gz MSYHASQEWAIDCJ-ZJPYXAASSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978271597 696355448 /nfs/dbraw/zinc/35/54/48/696355448.db2.gz MSYHASQEWAIDCJ-ZJPYXAASSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978271597 696355451 /nfs/dbraw/zinc/35/54/51/696355451.db2.gz MSYHASQEWAIDCJ-ZJPYXAASSA-N 2 1 315.461 1.321 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978627567 696427793 /nfs/dbraw/zinc/42/77/93/696427793.db2.gz JTTVBSRVTJVNBK-QUSNUVHPSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978627567 696427794 /nfs/dbraw/zinc/42/77/94/696427794.db2.gz JTTVBSRVTJVNBK-QUSNUVHPSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978627567 696427795 /nfs/dbraw/zinc/42/77/95/696427795.db2.gz JTTVBSRVTJVNBK-QUSNUVHPSA-N 2 1 305.466 1.587 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978793227 696458995 /nfs/dbraw/zinc/45/89/95/696458995.db2.gz BEAXNUJRPPNNBT-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793227 696458996 /nfs/dbraw/zinc/45/89/96/696458996.db2.gz BEAXNUJRPPNNBT-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793227 696458998 /nfs/dbraw/zinc/45/89/98/696458998.db2.gz BEAXNUJRPPNNBT-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980145322 696691927 /nfs/dbraw/zinc/69/19/27/696691927.db2.gz PNJUFOAOECPELT-USXIJHARSA-N 2 1 322.412 1.798 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC=C)C2 ZINC000981819231 696929999 /nfs/dbraw/zinc/92/99/99/696929999.db2.gz STIXEBPHNOMLJY-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC=C)C2 ZINC000981819231 696930003 /nfs/dbraw/zinc/93/00/03/696930003.db2.gz STIXEBPHNOMLJY-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCC=C)C2 ZINC000981819231 696930006 /nfs/dbraw/zinc/93/00/06/696930006.db2.gz STIXEBPHNOMLJY-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCC=C)C2 ZINC000981819231 696930009 /nfs/dbraw/zinc/93/00/09/696930009.db2.gz STIXEBPHNOMLJY-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822465 696931918 /nfs/dbraw/zinc/93/19/18/696931918.db2.gz LCJQJFIVRKCDEW-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822465 696931919 /nfs/dbraw/zinc/93/19/19/696931919.db2.gz LCJQJFIVRKCDEW-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822465 696931921 /nfs/dbraw/zinc/93/19/21/696931921.db2.gz LCJQJFIVRKCDEW-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150559 697042899 /nfs/dbraw/zinc/04/28/99/697042899.db2.gz KNKMEKAJZSYNRN-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985720211 697562436 /nfs/dbraw/zinc/56/24/36/697562436.db2.gz KLMWZNWXFCRXIT-UHFFFAOYSA-N 2 1 309.454 1.206 20 30 DDEDMP C[C@@H]1CNC(NN=C2CC[N@@H+](Cc3ccccn3)C[C@H]2C)=[NH+]1 ZINC000779792045 698465756 /nfs/dbraw/zinc/46/57/56/698465756.db2.gz NWMBLOPZKJZGLE-CHWSQXEVSA-N 2 1 300.410 1.217 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000989074573 698530765 /nfs/dbraw/zinc/53/07/65/698530765.db2.gz JXIPNJZNILAUON-OLZOCXBDSA-N 2 1 306.410 1.505 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1N(C)C ZINC000303903446 698610441 /nfs/dbraw/zinc/61/04/41/698610441.db2.gz UKYZRJCGIYYLPU-CQSZACIVSA-N 2 1 304.442 1.036 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N(C)C)cc1C ZINC000304762377 698624852 /nfs/dbraw/zinc/62/48/52/698624852.db2.gz VQGWKWSHJNDWFO-QGZVFWFLSA-N 2 1 317.481 1.950 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483342 698639250 /nfs/dbraw/zinc/63/92/50/698639250.db2.gz SUMKINCVUBMYRK-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483342 698639252 /nfs/dbraw/zinc/63/92/52/698639252.db2.gz SUMKINCVUBMYRK-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000989708788 698736228 /nfs/dbraw/zinc/73/62/28/698736228.db2.gz ZVHHVSHVGPOMHO-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989708788 698736232 /nfs/dbraw/zinc/73/62/32/698736232.db2.gz ZVHHVSHVGPOMHO-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989708788 698736233 /nfs/dbraw/zinc/73/62/33/698736233.db2.gz ZVHHVSHVGPOMHO-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000989708788 698736236 /nfs/dbraw/zinc/73/62/36/698736236.db2.gz ZVHHVSHVGPOMHO-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990691234 699133718 /nfs/dbraw/zinc/13/37/18/699133718.db2.gz UQZLOUVEJFEIHH-JENIJYKNSA-N 2 1 315.461 1.465 20 30 DDEDMP C=C(C)CNC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000751012518 700265155 /nfs/dbraw/zinc/26/51/55/700265155.db2.gz VORHISCCDAIBFH-OAHLLOKOSA-N 2 1 312.527 1.785 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000847380135 703410695 /nfs/dbraw/zinc/41/06/95/703410695.db2.gz YDPUMENWSFIOGO-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847380135 703410696 /nfs/dbraw/zinc/41/06/96/703410696.db2.gz YDPUMENWSFIOGO-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847380135 703410698 /nfs/dbraw/zinc/41/06/98/703410698.db2.gz YDPUMENWSFIOGO-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000851662266 703825541 /nfs/dbraw/zinc/82/55/41/703825541.db2.gz VQESSYWWCYFVMN-KRWDZBQOSA-N 2 1 320.481 1.363 20 30 DDEDMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852858398 704150342 /nfs/dbraw/zinc/15/03/42/704150342.db2.gz BCYRAFDLGGFVLD-UHFFFAOYSA-N 2 1 309.373 1.517 20 30 DDEDMP C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc1 ZINC000855346290 704480105 /nfs/dbraw/zinc/48/01/05/704480105.db2.gz VLDJFCBKNYWYEU-AWEZNQCLSA-N 2 1 302.422 1.065 20 30 DDEDMP C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000855346290 704480106 /nfs/dbraw/zinc/48/01/06/704480106.db2.gz VLDJFCBKNYWYEU-AWEZNQCLSA-N 2 1 302.422 1.065 20 30 DDEDMP C#C[C@H]1CC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000875714085 705487218 /nfs/dbraw/zinc/48/72/18/705487218.db2.gz SNVXVQIMOSBFNV-ULQDDVLXSA-N 2 1 322.497 1.750 20 30 DDEDMP C#C[C@H]1CC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000875714085 705487222 /nfs/dbraw/zinc/48/72/22/705487222.db2.gz SNVXVQIMOSBFNV-ULQDDVLXSA-N 2 1 322.497 1.750 20 30 DDEDMP C#CC[C@H](COC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872216593 707333870 /nfs/dbraw/zinc/33/38/70/707333870.db2.gz XZHHFRRWGKEPEG-MSOLQXFVSA-N 2 1 302.418 1.251 20 30 DDEDMP C#CC[C@H](COC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872216593 707333873 /nfs/dbraw/zinc/33/38/73/707333873.db2.gz XZHHFRRWGKEPEG-MSOLQXFVSA-N 2 1 302.418 1.251 20 30 DDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)C1 ZINC000886068442 708691708 /nfs/dbraw/zinc/69/17/08/708691708.db2.gz YKROPTIIELKGMU-DLBZAZTESA-N 2 1 320.481 1.143 20 30 DDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)C1 ZINC000886068442 708691710 /nfs/dbraw/zinc/69/17/10/708691710.db2.gz YKROPTIIELKGMU-DLBZAZTESA-N 2 1 320.481 1.143 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000929769789 713686747 /nfs/dbraw/zinc/68/67/47/713686747.db2.gz AEAGZMNRWGTXKZ-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929769789 713686749 /nfs/dbraw/zinc/68/67/49/713686749.db2.gz AEAGZMNRWGTXKZ-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP C#CCN(C(=O)N[C@H](C)C[N@H+](C)CCCC)C1CC[NH+](C)CC1 ZINC000922518873 714076793 /nfs/dbraw/zinc/07/67/93/714076793.db2.gz IGHCTJRFYSTOFK-MRXNPFEDSA-N 2 1 322.497 1.846 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000923560680 714403556 /nfs/dbraw/zinc/40/35/56/714403556.db2.gz FAXGEZPIJLGQEK-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000923560680 714403558 /nfs/dbraw/zinc/40/35/58/714403558.db2.gz FAXGEZPIJLGQEK-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](NC(C)=O)c1ccccc1F ZINC000926490622 715076255 /nfs/dbraw/zinc/07/62/55/715076255.db2.gz PNOYNPQMLWQTMQ-KBXCAEBGSA-N 2 1 319.424 1.936 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](NC(C)=O)c1ccccc1F ZINC000926490622 715076257 /nfs/dbraw/zinc/07/62/57/715076257.db2.gz PNOYNPQMLWQTMQ-KBXCAEBGSA-N 2 1 319.424 1.936 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960276735 716477030 /nfs/dbraw/zinc/47/70/30/716477030.db2.gz BKSKFKMHVISLAN-LISAXSMJSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960276735 716477032 /nfs/dbraw/zinc/47/70/32/716477032.db2.gz BKSKFKMHVISLAN-LISAXSMJSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960276735 716477034 /nfs/dbraw/zinc/47/70/34/716477034.db2.gz BKSKFKMHVISLAN-LISAXSMJSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC000960352443 716502808 /nfs/dbraw/zinc/50/28/08/716502808.db2.gz TWFBWNKVOIUABY-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC000960352443 716502812 /nfs/dbraw/zinc/50/28/12/716502812.db2.gz TWFBWNKVOIUABY-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC=C(C)C)C[C@H]21 ZINC000960352443 716502814 /nfs/dbraw/zinc/50/28/14/716502814.db2.gz TWFBWNKVOIUABY-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC=C(C)C)C[C@H]21 ZINC000960352443 716502818 /nfs/dbraw/zinc/50/28/18/716502818.db2.gz TWFBWNKVOIUABY-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756597 716947062 /nfs/dbraw/zinc/94/70/62/716947062.db2.gz CTYQPCKWUFNBEW-BBWFWOEESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756597 716947066 /nfs/dbraw/zinc/94/70/66/716947066.db2.gz CTYQPCKWUFNBEW-BBWFWOEESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756597 716947070 /nfs/dbraw/zinc/94/70/70/716947070.db2.gz CTYQPCKWUFNBEW-BBWFWOEESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000961568851 717008554 /nfs/dbraw/zinc/00/85/54/717008554.db2.gz WCCMHGZNJFQVOY-NCOADZHNSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961568851 717008556 /nfs/dbraw/zinc/00/85/56/717008556.db2.gz WCCMHGZNJFQVOY-NCOADZHNSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961568851 717008558 /nfs/dbraw/zinc/00/85/58/717008558.db2.gz WCCMHGZNJFQVOY-NCOADZHNSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941032965 717081669 /nfs/dbraw/zinc/08/16/69/717081669.db2.gz KKJBIIIULVWPOJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941032965 717081672 /nfs/dbraw/zinc/08/16/72/717081672.db2.gz KKJBIIIULVWPOJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941032965 717081675 /nfs/dbraw/zinc/08/16/75/717081675.db2.gz KKJBIIIULVWPOJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080053 717097678 /nfs/dbraw/zinc/09/76/78/717097678.db2.gz RNLVQJRIKABGNM-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164880 717119951 /nfs/dbraw/zinc/11/99/51/717119951.db2.gz YIRWKDXOMFFPFP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164880 717119954 /nfs/dbraw/zinc/11/99/54/717119954.db2.gz YIRWKDXOMFFPFP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164880 717119955 /nfs/dbraw/zinc/11/99/55/717119955.db2.gz YIRWKDXOMFFPFP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941229474 717134469 /nfs/dbraw/zinc/13/44/69/717134469.db2.gz APJGXDAMGWETCU-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941229474 717134470 /nfs/dbraw/zinc/13/44/70/717134470.db2.gz APJGXDAMGWETCU-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941229474 717134471 /nfs/dbraw/zinc/13/44/71/717134471.db2.gz APJGXDAMGWETCU-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229474 717134472 /nfs/dbraw/zinc/13/44/72/717134472.db2.gz APJGXDAMGWETCU-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229474 717134473 /nfs/dbraw/zinc/13/44/73/717134473.db2.gz APJGXDAMGWETCU-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961954150 717259370 /nfs/dbraw/zinc/25/93/70/717259370.db2.gz DIUZVVYPMGPEHE-MWDXBVQZSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962164831 717332105 /nfs/dbraw/zinc/33/21/05/717332105.db2.gz MEHKPUXIXROINU-FVQHAEBGSA-N 2 1 323.400 1.503 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962164831 717332107 /nfs/dbraw/zinc/33/21/07/717332107.db2.gz MEHKPUXIXROINU-FVQHAEBGSA-N 2 1 323.400 1.503 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581787 717761372 /nfs/dbraw/zinc/76/13/72/717761372.db2.gz MXYQEETXUQSIJC-DZGCQCFKSA-N 2 1 305.422 1.967 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000963432424 717786177 /nfs/dbraw/zinc/78/61/77/717786177.db2.gz JZIMLCJQRABOPT-WWDZGPRUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497572 719187542 /nfs/dbraw/zinc/18/75/42/719187542.db2.gz JPUVQQZQKLXMIE-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H](C)C2)CC1 ZINC000948069283 719349002 /nfs/dbraw/zinc/34/90/02/719349002.db2.gz FJAVTQHYTOJUEU-HOCLYGCPSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)[C@H](C)C2)CC1 ZINC000948070266 719349321 /nfs/dbraw/zinc/34/93/21/719349321.db2.gz OIGGUCATRBDBKO-SJLPKXTDSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)[C@@H](C)C2)CC1 ZINC000948070368 719349683 /nfs/dbraw/zinc/34/96/83/719349683.db2.gz ORCHRTXPGUKKSC-FUHWJXTLSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052310 719403945 /nfs/dbraw/zinc/40/39/45/719403945.db2.gz AHQHDCMPWOQBOY-GDBMZVCRSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052310 719403948 /nfs/dbraw/zinc/40/39/48/719403948.db2.gz AHQHDCMPWOQBOY-GDBMZVCRSA-N 2 1 317.433 1.805 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948270415 719425704 /nfs/dbraw/zinc/42/57/04/719425704.db2.gz ZMMRSKFWULCSFI-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948270415 719425707 /nfs/dbraw/zinc/42/57/07/719425707.db2.gz ZMMRSKFWULCSFI-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948270415 719425711 /nfs/dbraw/zinc/42/57/11/719425711.db2.gz ZMMRSKFWULCSFI-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948270415 719425712 /nfs/dbraw/zinc/42/57/12/719425712.db2.gz ZMMRSKFWULCSFI-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968409833 719566932 /nfs/dbraw/zinc/56/69/32/719566932.db2.gz RAPCEAOIETWUNU-GOEBONIOSA-N 2 1 319.453 1.071 20 30 DDEDMP C=C(C)CCN1CCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000948954140 719800165 /nfs/dbraw/zinc/80/01/65/719800165.db2.gz MQHMNIFSBQAPQR-OAHLLOKOSA-N 2 1 302.422 1.556 20 30 DDEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526171 720140192 /nfs/dbraw/zinc/14/01/92/720140192.db2.gz HPADNCBHAGTAEE-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526171 720140195 /nfs/dbraw/zinc/14/01/95/720140195.db2.gz HPADNCBHAGTAEE-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526171 720140199 /nfs/dbraw/zinc/14/01/99/720140199.db2.gz HPADNCBHAGTAEE-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC000969864893 720540500 /nfs/dbraw/zinc/54/05/00/720540500.db2.gz HOTUPDCPTOBNMA-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1 ZINC000969864893 720540506 /nfs/dbraw/zinc/54/05/06/720540506.db2.gz HOTUPDCPTOBNMA-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000950513951 720666532 /nfs/dbraw/zinc/66/65/32/720666532.db2.gz PAISUCACRFVYOM-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000950513952 720666785 /nfs/dbraw/zinc/66/67/85/720666785.db2.gz PAISUCACRFVYOM-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970316055 720705258 /nfs/dbraw/zinc/70/52/58/720705258.db2.gz BAQUIMUZZRCJLW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCCC[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001209266460 732658456 /nfs/dbraw/zinc/65/84/56/732658456.db2.gz ZQHCDZWAUMZFST-UHFFFAOYSA-N 2 1 304.438 1.580 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001021285650 733107785 /nfs/dbraw/zinc/10/77/85/733107785.db2.gz QLNLERTUYJAXTA-HMQMGEFJSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001021285650 733107786 /nfs/dbraw/zinc/10/77/86/733107786.db2.gz QLNLERTUYJAXTA-HMQMGEFJSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001021285650 733107788 /nfs/dbraw/zinc/10/77/88/733107788.db2.gz QLNLERTUYJAXTA-HMQMGEFJSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001021285650 733107790 /nfs/dbraw/zinc/10/77/90/733107790.db2.gz QLNLERTUYJAXTA-HMQMGEFJSA-N 2 1 303.450 1.604 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001098540369 733202057 /nfs/dbraw/zinc/20/20/57/733202057.db2.gz GHVMOMUSAPAJQS-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001098540369 733202058 /nfs/dbraw/zinc/20/20/58/733202058.db2.gz GHVMOMUSAPAJQS-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001098540369 733202059 /nfs/dbraw/zinc/20/20/59/733202059.db2.gz GHVMOMUSAPAJQS-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605457 733363817 /nfs/dbraw/zinc/36/38/17/733363817.db2.gz MCTJJZMWHZOXSM-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001104306296 733421525 /nfs/dbraw/zinc/42/15/25/733421525.db2.gz WHJBFXLSBBUZKB-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001104306296 733421529 /nfs/dbraw/zinc/42/15/29/733421529.db2.gz WHJBFXLSBBUZKB-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426090 733448656 /nfs/dbraw/zinc/44/86/56/733448656.db2.gz PTRNPVCSJVDKSB-DLBZAZTESA-N 2 1 317.477 1.903 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021717764 733481309 /nfs/dbraw/zinc/48/13/09/733481309.db2.gz QYZFYASOPHTZRW-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737060 733497312 /nfs/dbraw/zinc/49/73/12/733497312.db2.gz QOLKGUYQBQXTDL-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410473 735216085 /nfs/dbraw/zinc/21/60/85/735216085.db2.gz SRCOWKUSYYIEOU-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410473 735216089 /nfs/dbraw/zinc/21/60/89/735216089.db2.gz SRCOWKUSYYIEOU-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410473 735216092 /nfs/dbraw/zinc/21/60/92/735216092.db2.gz SRCOWKUSYYIEOU-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811765 736107793 /nfs/dbraw/zinc/10/77/93/736107793.db2.gz YLVSWKGOHFXUFB-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099853 737117017 /nfs/dbraw/zinc/11/70/17/737117017.db2.gz ITCVDEWZXKAXIR-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099853 737117020 /nfs/dbraw/zinc/11/70/20/737117020.db2.gz ITCVDEWZXKAXIR-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099853 737117023 /nfs/dbraw/zinc/11/70/23/737117023.db2.gz ITCVDEWZXKAXIR-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167737396 737360884 /nfs/dbraw/zinc/36/08/84/737360884.db2.gz RRIQBFZQCMEBDN-AWEZNQCLSA-N 2 1 313.873 1.957 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]12 ZINC001026376168 737444413 /nfs/dbraw/zinc/44/44/13/737444413.db2.gz GSBMGUDLOIDUEP-IXDOHACOSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001026506865 737623724 /nfs/dbraw/zinc/62/37/24/737623724.db2.gz HDJMAOVPIFABFZ-NRXISQOPSA-N 2 1 300.406 1.411 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001027416920 738276183 /nfs/dbraw/zinc/27/61/83/738276183.db2.gz PHVFSOSHNIGJDS-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001027416920 738276189 /nfs/dbraw/zinc/27/61/89/738276189.db2.gz PHVFSOSHNIGJDS-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181705 739130634 /nfs/dbraw/zinc/13/06/34/739130634.db2.gz ZARLXFOADQDJGT-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001028329350 739367508 /nfs/dbraw/zinc/36/75/08/739367508.db2.gz KJPREWMDILCBDC-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329350 739367513 /nfs/dbraw/zinc/36/75/13/739367513.db2.gz KJPREWMDILCBDC-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329350 739367522 /nfs/dbraw/zinc/36/75/22/739367522.db2.gz KJPREWMDILCBDC-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329350 739367525 /nfs/dbraw/zinc/36/75/25/739367525.db2.gz KJPREWMDILCBDC-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329350 739367526 /nfs/dbraw/zinc/36/75/26/739367526.db2.gz KJPREWMDILCBDC-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587094 739699717 /nfs/dbraw/zinc/69/97/17/739699717.db2.gz GFWDIRPBGZWUQQ-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587094 739699722 /nfs/dbraw/zinc/69/97/22/739699722.db2.gz GFWDIRPBGZWUQQ-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587094 739699726 /nfs/dbraw/zinc/69/97/26/739699726.db2.gz GFWDIRPBGZWUQQ-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758071 739999300 /nfs/dbraw/zinc/99/93/00/739999300.db2.gz MYUQRORPMUBASK-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758071 739999301 /nfs/dbraw/zinc/99/93/01/739999301.db2.gz MYUQRORPMUBASK-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758071 739999303 /nfs/dbraw/zinc/99/93/03/739999303.db2.gz MYUQRORPMUBASK-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766815 740010144 /nfs/dbraw/zinc/01/01/44/740010144.db2.gz DMURYCHLSHITST-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766815 740010150 /nfs/dbraw/zinc/01/01/50/740010150.db2.gz DMURYCHLSHITST-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001037868616 751520281 /nfs/dbraw/zinc/52/02/81/751520281.db2.gz BUJSRSSOGDPSGB-DZGCQCFKSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1CC ZINC001087634776 740685542 /nfs/dbraw/zinc/68/55/42/740685542.db2.gz UNBSEUXPHPSTBJ-DLBZAZTESA-N 2 1 310.401 1.859 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998177313 751568985 /nfs/dbraw/zinc/56/89/85/751568985.db2.gz SGHBBDTWCCHISN-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967851 740894614 /nfs/dbraw/zinc/89/46/14/740894614.db2.gz OTXOVTHQTCKFQI-SQNIBIBYSA-N 2 1 315.461 1.132 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCF)CC[C@@H]3C2)CC1 ZINC001088212261 741107921 /nfs/dbraw/zinc/10/79/21/741107921.db2.gz YKHOLDIAHHHBRZ-SJORKVTESA-N 2 1 321.440 1.081 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567478 741841568 /nfs/dbraw/zinc/84/15/68/741841568.db2.gz QNUWNJXFTKUPNB-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567478 741841573 /nfs/dbraw/zinc/84/15/73/741841573.db2.gz QNUWNJXFTKUPNB-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H]1C ZINC001088582353 741898438 /nfs/dbraw/zinc/89/84/38/741898438.db2.gz KRFZUKFCMPJAMA-WWGRRREGSA-N 2 1 317.437 1.555 20 30 DDEDMP C=CCN1CC[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H]1C ZINC001088582353 741898443 /nfs/dbraw/zinc/89/84/43/741898443.db2.gz KRFZUKFCMPJAMA-WWGRRREGSA-N 2 1 317.437 1.555 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC001040539877 742930933 /nfs/dbraw/zinc/93/09/33/742930933.db2.gz SDCHFNNCBKICPI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040539877 742930939 /nfs/dbraw/zinc/93/09/39/742930939.db2.gz SDCHFNNCBKICPI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040539877 742930945 /nfs/dbraw/zinc/93/09/45/742930945.db2.gz SDCHFNNCBKICPI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040539877 742930950 /nfs/dbraw/zinc/93/09/50/742930950.db2.gz SDCHFNNCBKICPI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040539877 742930956 /nfs/dbraw/zinc/93/09/56/742930956.db2.gz SDCHFNNCBKICPI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180898882 742990836 /nfs/dbraw/zinc/99/08/36/742990836.db2.gz FYCZRCHHCLCZBP-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629944 743675836 /nfs/dbraw/zinc/67/58/36/743675836.db2.gz QCBNHLAEIDSEJX-LZLYRXPVSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183256084 743810757 /nfs/dbraw/zinc/81/07/57/743810757.db2.gz RDIFVDONYSJCCJ-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183836572 743916253 /nfs/dbraw/zinc/91/62/53/743916253.db2.gz VLEWYHWQVQBDGK-UONOGXRCSA-N 2 1 320.437 1.895 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184712222 744085902 /nfs/dbraw/zinc/08/59/02/744085902.db2.gz KWNZJQBEYDVOII-CVEARBPZSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185659064 744265340 /nfs/dbraw/zinc/26/53/40/744265340.db2.gz CSTDIGQYMFNPBA-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185676134 744273793 /nfs/dbraw/zinc/27/37/93/744273793.db2.gz MLCXHNASVOJMCG-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035815050 751916985 /nfs/dbraw/zinc/91/69/85/751916985.db2.gz YHGFARDTJOGYJJ-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](F)CC)[C@@H]2C)CC1 ZINC001089059400 744479213 /nfs/dbraw/zinc/47/92/13/744479213.db2.gz KNMRAEZUJKGABX-OIISXLGYSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099140546 744764513 /nfs/dbraw/zinc/76/45/13/744764513.db2.gz ZROQNDUVSDRWJW-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099140546 744764516 /nfs/dbraw/zinc/76/45/16/744764516.db2.gz ZROQNDUVSDRWJW-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035857348 751953421 /nfs/dbraw/zinc/95/34/21/751953421.db2.gz BAJDLDGTLATCSH-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190654474 745285820 /nfs/dbraw/zinc/28/58/20/745285820.db2.gz KBXUXHRGMKOSEP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190654474 745285822 /nfs/dbraw/zinc/28/58/22/745285822.db2.gz KBXUXHRGMKOSEP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190654474 745285825 /nfs/dbraw/zinc/28/58/25/745285825.db2.gz KBXUXHRGMKOSEP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001106266676 745496024 /nfs/dbraw/zinc/49/60/24/745496024.db2.gz XFUUWWCDEWSZIO-WWDFRNIQSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C/C=C/Cl)[C@H](C)C1 ZINC001106266676 745496027 /nfs/dbraw/zinc/49/60/27/745496027.db2.gz XFUUWWCDEWSZIO-WWDFRNIQSA-N 2 1 323.868 1.521 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192354413 745764365 /nfs/dbraw/zinc/76/43/65/745764365.db2.gz LISZGLFALWBWAM-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192354413 745764368 /nfs/dbraw/zinc/76/43/68/745764368.db2.gz LISZGLFALWBWAM-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192354413 745764369 /nfs/dbraw/zinc/76/43/69/745764369.db2.gz LISZGLFALWBWAM-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001192868521 745909429 /nfs/dbraw/zinc/90/94/29/745909429.db2.gz YMDZDPURNYYIRU-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868521 745909430 /nfs/dbraw/zinc/90/94/30/745909430.db2.gz YMDZDPURNYYIRU-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868521 745909432 /nfs/dbraw/zinc/90/94/32/745909432.db2.gz YMDZDPURNYYIRU-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099270828 746094148 /nfs/dbraw/zinc/09/41/48/746094148.db2.gz MJLPAWGXCDYKBQ-JHJVBQTASA-N 2 1 319.371 1.636 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993475167 746165910 /nfs/dbraw/zinc/16/59/10/746165910.db2.gz FJWVYJUTMSANRI-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993809394 746331067 /nfs/dbraw/zinc/33/10/67/746331067.db2.gz VXQDCBNUCNRYKR-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993809394 746331074 /nfs/dbraw/zinc/33/10/74/746331074.db2.gz VXQDCBNUCNRYKR-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015712492 746544252 /nfs/dbraw/zinc/54/42/52/746544252.db2.gz DCOWJJQDCFECJY-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430987 746878087 /nfs/dbraw/zinc/87/80/87/746878087.db2.gz WHAYMVWEYMSDRU-INIZCTEOSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540298 747173735 /nfs/dbraw/zinc/17/37/35/747173735.db2.gz TXOVHYIBMBTMAS-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089558240 747217201 /nfs/dbraw/zinc/21/72/01/747217201.db2.gz GCBIJCFFPRLLEE-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089558240 747217206 /nfs/dbraw/zinc/21/72/06/747217206.db2.gz GCBIJCFFPRLLEE-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089558240 747217211 /nfs/dbraw/zinc/21/72/11/747217211.db2.gz GCBIJCFFPRLLEE-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001197724336 747251433 /nfs/dbraw/zinc/25/14/33/747251433.db2.gz RMYJNRAJFIFKBW-ZACQAIPSSA-N 2 1 317.433 1.027 20 30 DDEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)N(C)CC)C1 ZINC001197724336 747251436 /nfs/dbraw/zinc/25/14/36/747251436.db2.gz RMYJNRAJFIFKBW-ZACQAIPSSA-N 2 1 317.433 1.027 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031671782 747359011 /nfs/dbraw/zinc/35/90/11/747359011.db2.gz AZTWJGWAPKXSML-QGZVFWFLSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031671782 747359019 /nfs/dbraw/zinc/35/90/19/747359019.db2.gz AZTWJGWAPKXSML-QGZVFWFLSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199097447 747701521 /nfs/dbraw/zinc/70/15/21/747701521.db2.gz ZQHKOJGJVDGBAR-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199127547 747706843 /nfs/dbraw/zinc/70/68/43/747706843.db2.gz HHNKUISDPNZOJI-BRWVUGGUSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820121 747970026 /nfs/dbraw/zinc/97/00/26/747970026.db2.gz KTFNXHMDEWPJAA-RANZSIQMSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820121 747970030 /nfs/dbraw/zinc/97/00/30/747970030.db2.gz KTFNXHMDEWPJAA-RANZSIQMSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943530 748046675 /nfs/dbraw/zinc/04/66/75/748046675.db2.gz MGVXAROIJIYIQW-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943530 748046684 /nfs/dbraw/zinc/04/66/84/748046684.db2.gz MGVXAROIJIYIQW-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200635832 748298067 /nfs/dbraw/zinc/29/80/67/748298067.db2.gz WNOXCEWGKGWUEW-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721185 748328312 /nfs/dbraw/zinc/32/83/12/748328312.db2.gz IVBZCNQUVQIHTC-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201405052 748500339 /nfs/dbraw/zinc/50/03/39/748500339.db2.gz ZSPKVJBZFBDWPE-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCCO1 ZINC001201544934 748537119 /nfs/dbraw/zinc/53/71/19/748537119.db2.gz AQUOGXXBGAQBMK-HNNXBMFYSA-N 2 1 320.437 1.400 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004615518 748591183 /nfs/dbraw/zinc/59/11/83/748591183.db2.gz HLBXFGXJSXOUGE-GOSISDBHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033267155 749089014 /nfs/dbraw/zinc/08/90/14/749089014.db2.gz AGAHEHWSGZFQPN-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033267155 749089018 /nfs/dbraw/zinc/08/90/18/749089018.db2.gz AGAHEHWSGZFQPN-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296666 749139465 /nfs/dbraw/zinc/13/94/65/749139465.db2.gz XDKINJUPZOWALZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353705 749226522 /nfs/dbraw/zinc/22/65/22/749226522.db2.gz JXBIZASPOINWMN-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033353705 749226526 /nfs/dbraw/zinc/22/65/26/749226526.db2.gz JXBIZASPOINWMN-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033353705 749226529 /nfs/dbraw/zinc/22/65/29/749226529.db2.gz JXBIZASPOINWMN-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358963 749265652 /nfs/dbraw/zinc/26/56/52/749265652.db2.gz SBUPSSSBDUPWGI-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358963 749265655 /nfs/dbraw/zinc/26/56/55/749265655.db2.gz SBUPSSSBDUPWGI-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358963 749265659 /nfs/dbraw/zinc/26/56/59/749265659.db2.gz SBUPSSSBDUPWGI-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358963 749265661 /nfs/dbraw/zinc/26/56/61/749265661.db2.gz SBUPSSSBDUPWGI-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472583 749417829 /nfs/dbraw/zinc/41/78/29/749417829.db2.gz YMNAXNHAPQMFSC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472583 749417831 /nfs/dbraw/zinc/41/78/31/749417831.db2.gz YMNAXNHAPQMFSC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472583 749417833 /nfs/dbraw/zinc/41/78/33/749417833.db2.gz YMNAXNHAPQMFSC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033576475 749551721 /nfs/dbraw/zinc/55/17/21/749551721.db2.gz VRBRPEKREBQZIN-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039374742 761976005 /nfs/dbraw/zinc/97/60/05/761976005.db2.gz IINLEKGSRXWJEZ-FGTMMUONSA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095864554 750604219 /nfs/dbraw/zinc/60/42/19/750604219.db2.gz QWAVUZHVUKMIHU-PMPSAXMXSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095864554 750604225 /nfs/dbraw/zinc/60/42/25/750604225.db2.gz QWAVUZHVUKMIHU-PMPSAXMXSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035222757 751299446 /nfs/dbraw/zinc/29/94/46/751299446.db2.gz FOTCNWZYKOQBQB-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=C)C)CC1 ZINC001000788227 762202104 /nfs/dbraw/zinc/20/21/04/762202104.db2.gz PHKUEUQPNWIIKC-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001000788227 762202109 /nfs/dbraw/zinc/20/21/09/762202109.db2.gz PHKUEUQPNWIIKC-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(=C)C)CC1 ZINC001000788227 762202113 /nfs/dbraw/zinc/20/21/13/762202113.db2.gz PHKUEUQPNWIIKC-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(=C)C)CC1 ZINC001000788227 762202115 /nfs/dbraw/zinc/20/21/15/762202115.db2.gz PHKUEUQPNWIIKC-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080450989 755911351 /nfs/dbraw/zinc/91/13/51/755911351.db2.gz WALZQADOTYOGCF-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080450989 755911353 /nfs/dbraw/zinc/91/13/53/755911353.db2.gz WALZQADOTYOGCF-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014731189 755911674 /nfs/dbraw/zinc/91/16/74/755911674.db2.gz ZXFAGSVWQQRPPN-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014731189 755911677 /nfs/dbraw/zinc/91/16/77/755911677.db2.gz ZXFAGSVWQQRPPN-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558813 755980836 /nfs/dbraw/zinc/98/08/36/755980836.db2.gz FVCMDBZAEATFFB-IUODEOHRSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001080558813 755980837 /nfs/dbraw/zinc/98/08/37/755980837.db2.gz FVCMDBZAEATFFB-IUODEOHRSA-N 2 1 313.873 1.907 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001016001786 756711906 /nfs/dbraw/zinc/71/19/06/756711906.db2.gz MUZUDBZBAIYARU-QGZVFWFLSA-N 2 1 324.428 1.345 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654315 757237019 /nfs/dbraw/zinc/23/70/19/757237019.db2.gz GPMDSRRBYDSLNA-IAGOWNOFSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016684358 757265221 /nfs/dbraw/zinc/26/52/21/757265221.db2.gz ADXGNGSUXVZKLU-BZUAXINKSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016684358 757265225 /nfs/dbraw/zinc/26/52/25/757265225.db2.gz ADXGNGSUXVZKLU-BZUAXINKSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972050 758112905 /nfs/dbraw/zinc/11/29/05/758112905.db2.gz MQMUKMSHJFVLQF-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084972050 758112908 /nfs/dbraw/zinc/11/29/08/758112908.db2.gz MQMUKMSHJFVLQF-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084972050 758112913 /nfs/dbraw/zinc/11/29/13/758112913.db2.gz MQMUKMSHJFVLQF-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101115 758239480 /nfs/dbraw/zinc/23/94/80/758239480.db2.gz UWNJCEZHHPWPGS-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101115 758239484 /nfs/dbraw/zinc/23/94/84/758239484.db2.gz UWNJCEZHHPWPGS-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101115 758239489 /nfs/dbraw/zinc/23/94/89/758239489.db2.gz UWNJCEZHHPWPGS-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP N#CC12CCC(Nc3nc(N4CC[NH2+]CC4)cc[nH+]3)(CC1)CC2 ZINC001169743481 762630375 /nfs/dbraw/zinc/63/03/75/762630375.db2.gz IQBZKDDMMFPWNB-UHFFFAOYSA-N 2 1 312.421 1.915 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccnc1C(C)C ZINC001018012317 758472706 /nfs/dbraw/zinc/47/27/06/758472706.db2.gz PZTLNMRMXPQSPU-GASCZTMLSA-N 2 1 302.422 1.868 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018093127 758542489 /nfs/dbraw/zinc/54/24/89/758542489.db2.gz JWFORIZHFNOTIE-CALCHBBNSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001018290073 758702749 /nfs/dbraw/zinc/70/27/49/758702749.db2.gz VJBXLENBSOTVPS-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001018290073 758702754 /nfs/dbraw/zinc/70/27/54/758702754.db2.gz VJBXLENBSOTVPS-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001018290073 758702761 /nfs/dbraw/zinc/70/27/61/758702761.db2.gz VJBXLENBSOTVPS-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001018290073 758702765 /nfs/dbraw/zinc/70/27/65/758702765.db2.gz VJBXLENBSOTVPS-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040731519 762664697 /nfs/dbraw/zinc/66/46/97/762664697.db2.gz LSSCJRFOOSTXJL-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001040731519 762664703 /nfs/dbraw/zinc/66/47/03/762664703.db2.gz LSSCJRFOOSTXJL-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053927147 758964546 /nfs/dbraw/zinc/96/45/46/758964546.db2.gz UFZLKXCKFFEMIS-LSDHHAIUSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053927147 758964551 /nfs/dbraw/zinc/96/45/51/758964551.db2.gz UFZLKXCKFFEMIS-LSDHHAIUSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085224606 759168608 /nfs/dbraw/zinc/16/86/08/759168608.db2.gz MXTSVSNRXYOSJV-BRWVUGGUSA-N 2 1 305.466 1.615 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054108089 759174073 /nfs/dbraw/zinc/17/40/73/759174073.db2.gz OKQSLATUVRCGSW-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054108089 759174077 /nfs/dbraw/zinc/17/40/77/759174077.db2.gz OKQSLATUVRCGSW-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054108089 759174082 /nfs/dbraw/zinc/17/40/82/759174082.db2.gz OKQSLATUVRCGSW-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054108089 759174085 /nfs/dbraw/zinc/17/40/85/759174085.db2.gz OKQSLATUVRCGSW-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145385 759222314 /nfs/dbraw/zinc/22/23/14/759222314.db2.gz OPJFFHAICXBZLN-FUHWJXTLSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148313 759228120 /nfs/dbraw/zinc/22/81/20/759228120.db2.gz MBEHZRBKYWXFIC-WMZOPIPTSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165123 759247383 /nfs/dbraw/zinc/24/73/83/759247383.db2.gz ADYCGVDYQCXQCA-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165123 759247388 /nfs/dbraw/zinc/24/73/88/759247388.db2.gz ADYCGVDYQCXQCA-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001019279557 759757082 /nfs/dbraw/zinc/75/70/82/759757082.db2.gz HTOIWJWFYMCRQD-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098391567 760054667 /nfs/dbraw/zinc/05/46/67/760054667.db2.gz FUEVALHELBDQQH-KRWDZBQOSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781629 760217338 /nfs/dbraw/zinc/21/73/38/760217338.db2.gz ATBWJOXSCVHCDH-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781629 760217344 /nfs/dbraw/zinc/21/73/44/760217344.db2.gz ATBWJOXSCVHCDH-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781629 760217350 /nfs/dbraw/zinc/21/73/50/760217350.db2.gz ATBWJOXSCVHCDH-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCCF)CC1 ZINC001085986608 760656703 /nfs/dbraw/zinc/65/67/03/760656703.db2.gz IQRPFBDXVSYALP-MRXNPFEDSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC[C@H](C)F)CC1 ZINC001085986671 760657379 /nfs/dbraw/zinc/65/73/79/760657379.db2.gz KLXWEMJGYBCGMT-DOTOQJQBSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=C)Cl)C1 ZINC001086390486 761531056 /nfs/dbraw/zinc/53/10/56/761531056.db2.gz WZNMQEKYGPRYLN-KKUMJFAQSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=C)Cl)C1 ZINC001086390486 761531061 /nfs/dbraw/zinc/53/10/61/761531061.db2.gz WZNMQEKYGPRYLN-KKUMJFAQSA-N 2 1 309.841 1.321 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000204025 761571728 /nfs/dbraw/zinc/57/17/28/761571728.db2.gz YLMKJFUTBVPAFR-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108286828 761771086 /nfs/dbraw/zinc/77/10/86/761771086.db2.gz DKXHFTJLTFQIBU-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302239 761881352 /nfs/dbraw/zinc/88/13/52/761881352.db2.gz HNPUBXITYXIXLP-GOSISDBHSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001040941928 762738810 /nfs/dbraw/zinc/73/88/10/762738810.db2.gz RCYDRPLNZKYSRX-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717561 762874415 /nfs/dbraw/zinc/87/44/15/762874415.db2.gz OQQCZNUGZFGIRE-JYJNAYRXSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001521047 762934602 /nfs/dbraw/zinc/93/46/02/762934602.db2.gz HDDOFSXZMJCLRA-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001131380473 768105184 /nfs/dbraw/zinc/10/51/84/768105184.db2.gz MSGNWNKHKRTVOA-UHFFFAOYSA-N 2 1 315.352 1.108 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756998 763292775 /nfs/dbraw/zinc/29/27/75/763292775.db2.gz OGJUAMMUCFDBQH-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785263 763325250 /nfs/dbraw/zinc/32/52/50/763325250.db2.gz DQHUQFIHWCUJHL-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785263 763325259 /nfs/dbraw/zinc/32/52/59/763325259.db2.gz DQHUQFIHWCUJHL-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785263 763325271 /nfs/dbraw/zinc/32/52/71/763325271.db2.gz DQHUQFIHWCUJHL-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095007 763643362 /nfs/dbraw/zinc/64/33/62/763643362.db2.gz FHFOQGAJAIVRRI-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042095007 763643376 /nfs/dbraw/zinc/64/33/76/763643376.db2.gz FHFOQGAJAIVRRI-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001042095007 763643382 /nfs/dbraw/zinc/64/33/82/763643382.db2.gz FHFOQGAJAIVRRI-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042129723 763685212 /nfs/dbraw/zinc/68/52/12/763685212.db2.gz AXHRSOKODJDCFP-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050635935 763847511 /nfs/dbraw/zinc/84/75/11/763847511.db2.gz UQBCOVQGCHLXGI-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050664951 763890681 /nfs/dbraw/zinc/89/06/81/763890681.db2.gz TXLBDMMVKJZSEC-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314368 763904753 /nfs/dbraw/zinc/90/47/53/763904753.db2.gz OYENTVSSPUGYBJ-CABCVRRESA-N 2 1 323.868 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314368 763904757 /nfs/dbraw/zinc/90/47/57/763904757.db2.gz OYENTVSSPUGYBJ-CABCVRRESA-N 2 1 323.868 1.758 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109840834 764115551 /nfs/dbraw/zinc/11/55/51/764115551.db2.gz XTABGPPJSAUTPG-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109840834 764115558 /nfs/dbraw/zinc/11/55/58/764115558.db2.gz XTABGPPJSAUTPG-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858096 764139047 /nfs/dbraw/zinc/13/90/47/764139047.db2.gz SZPFSUIANJYVPY-LTIDMASMSA-N 2 1 305.466 1.708 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001109858096 764139050 /nfs/dbraw/zinc/13/90/50/764139050.db2.gz SZPFSUIANJYVPY-LTIDMASMSA-N 2 1 305.466 1.708 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982537 764261414 /nfs/dbraw/zinc/26/14/14/764261414.db2.gz HQNYYBDEOYNYRV-PMPSAXMXSA-N 2 1 303.450 1.770 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001112583183 764426471 /nfs/dbraw/zinc/42/64/71/764426471.db2.gz HUVPPFQURRISFC-JZXOWHBKSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583183 764426477 /nfs/dbraw/zinc/42/64/77/764426477.db2.gz HUVPPFQURRISFC-JZXOWHBKSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051284042 764709879 /nfs/dbraw/zinc/70/98/79/764709879.db2.gz XDZQLMJLUKNYHG-GOSISDBHSA-N 2 1 313.445 1.941 20 30 DDEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051284042 764709887 /nfs/dbraw/zinc/70/98/87/764709887.db2.gz XDZQLMJLUKNYHG-GOSISDBHSA-N 2 1 313.445 1.941 20 30 DDEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051284042 764709897 /nfs/dbraw/zinc/70/98/97/764709897.db2.gz XDZQLMJLUKNYHG-GOSISDBHSA-N 2 1 313.445 1.941 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H](C)O2 ZINC001131669302 768251561 /nfs/dbraw/zinc/25/15/61/768251561.db2.gz KYCHDHNMCXFHCT-QAPCUYQASA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H](C)O2 ZINC001131669302 768251566 /nfs/dbraw/zinc/25/15/66/768251566.db2.gz KYCHDHNMCXFHCT-QAPCUYQASA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H](C)O2 ZINC001131669302 768251569 /nfs/dbraw/zinc/25/15/69/768251569.db2.gz KYCHDHNMCXFHCT-QAPCUYQASA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CCC)C[C@H](C)O2 ZINC001131698010 768279002 /nfs/dbraw/zinc/27/90/02/768279002.db2.gz UNCATNJVGKJXGF-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@H](C)O2 ZINC001131698010 768279006 /nfs/dbraw/zinc/27/90/06/768279006.db2.gz UNCATNJVGKJXGF-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@H](C)O2 ZINC001131698010 768279010 /nfs/dbraw/zinc/27/90/10/768279010.db2.gz UNCATNJVGKJXGF-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001113254770 765490746 /nfs/dbraw/zinc/49/07/46/765490746.db2.gz NBZHPJJIIUPLME-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001113254770 765490749 /nfs/dbraw/zinc/49/07/49/765490749.db2.gz NBZHPJJIIUPLME-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001044654364 765728511 /nfs/dbraw/zinc/72/85/11/765728511.db2.gz LYYGUPIIAZLEMO-OLZOCXBDSA-N 2 1 306.410 1.505 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052387096 765781557 /nfs/dbraw/zinc/78/15/57/765781557.db2.gz XSIMDFWDXRLDSD-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052460101 765850038 /nfs/dbraw/zinc/85/00/38/765850038.db2.gz VLUTYQFDZANYCQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052460101 765850045 /nfs/dbraw/zinc/85/00/45/765850045.db2.gz VLUTYQFDZANYCQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(C)C)CC1 ZINC001052460101 765850053 /nfs/dbraw/zinc/85/00/53/765850053.db2.gz VLUTYQFDZANYCQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(C)C)CC1 ZINC001052460101 765850057 /nfs/dbraw/zinc/85/00/57/765850057.db2.gz VLUTYQFDZANYCQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001129791080 766995258 /nfs/dbraw/zinc/99/52/58/766995258.db2.gz QTEHBDGOOIXLAJ-AEFFLSMTSA-N 2 1 313.445 1.859 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(C)c1 ZINC001129791080 766995262 /nfs/dbraw/zinc/99/52/62/766995262.db2.gz QTEHBDGOOIXLAJ-AEFFLSMTSA-N 2 1 313.445 1.859 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001129775408 766999746 /nfs/dbraw/zinc/99/97/46/766999746.db2.gz MRQFIMNPJOYSSV-ROUUACIJSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CC)c1ccccc1 ZINC001129775408 766999757 /nfs/dbraw/zinc/99/97/57/766999757.db2.gz MRQFIMNPJOYSSV-ROUUACIJSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318499 767416644 /nfs/dbraw/zinc/41/66/44/767416644.db2.gz MENIYCDJCOBIDY-APWZRJJASA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046318499 767416651 /nfs/dbraw/zinc/41/66/51/767416651.db2.gz MENIYCDJCOBIDY-APWZRJJASA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046318499 767416658 /nfs/dbraw/zinc/41/66/58/767416658.db2.gz MENIYCDJCOBIDY-APWZRJJASA-N 2 1 317.477 1.855 20 30 DDEDMP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130419297 767523429 /nfs/dbraw/zinc/52/34/29/767523429.db2.gz SWOXRIZKGRWCSX-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130419297 767523430 /nfs/dbraw/zinc/52/34/30/767523430.db2.gz SWOXRIZKGRWCSX-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613741 767739920 /nfs/dbraw/zinc/73/99/20/767739920.db2.gz GBFODICXLJAFKW-YJBOKZPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613741 767739924 /nfs/dbraw/zinc/73/99/24/767739924.db2.gz GBFODICXLJAFKW-YJBOKZPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707777 767825787 /nfs/dbraw/zinc/82/57/87/767825787.db2.gz WNGCFZRSXZOWHS-IBGZPJMESA-N 2 1 313.445 1.966 20 30 DDEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001070400192 768444138 /nfs/dbraw/zinc/44/41/38/768444138.db2.gz TZGWQRVKDYOXMK-UKRRQHHQSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400192 768444142 /nfs/dbraw/zinc/44/41/42/768444142.db2.gz TZGWQRVKDYOXMK-UKRRQHHQSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001070400192 768444146 /nfs/dbraw/zinc/44/41/46/768444146.db2.gz TZGWQRVKDYOXMK-UKRRQHHQSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265783 768720195 /nfs/dbraw/zinc/72/01/95/768720195.db2.gz SFOLBFPISOCZFW-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524387 768945932 /nfs/dbraw/zinc/94/59/32/768945932.db2.gz GQFPROOJZHRCIV-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001133347087 769728323 /nfs/dbraw/zinc/72/83/23/769728323.db2.gz SESHTTMKSXFRBA-IRXDYDNUSA-N 2 1 323.481 1.051 20 30 DDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133347086 769728686 /nfs/dbraw/zinc/72/86/86/769728686.db2.gz SESHTTMKSXFRBA-IAGOWNOFSA-N 2 1 323.481 1.051 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827831 769952799 /nfs/dbraw/zinc/95/27/99/769952799.db2.gz ILNHNIBFNBQICT-OAGGEKHMSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048827831 769952803 /nfs/dbraw/zinc/95/28/03/769952803.db2.gz ILNHNIBFNBQICT-OAGGEKHMSA-N 2 1 314.433 1.420 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849491 769984125 /nfs/dbraw/zinc/98/41/25/769984125.db2.gz JEADVSMBPQVWHJ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849491 769984128 /nfs/dbraw/zinc/98/41/28/769984128.db2.gz JEADVSMBPQVWHJ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849491 769984131 /nfs/dbraw/zinc/98/41/31/769984131.db2.gz JEADVSMBPQVWHJ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048861323 770003168 /nfs/dbraw/zinc/00/31/68/770003168.db2.gz KWMUBQKOPRKXOY-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861323 770003182 /nfs/dbraw/zinc/00/31/82/770003182.db2.gz KWMUBQKOPRKXOY-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861323 770003194 /nfs/dbraw/zinc/00/31/94/770003194.db2.gz KWMUBQKOPRKXOY-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059155 770309322 /nfs/dbraw/zinc/30/93/22/770309322.db2.gz BNHHDEQVLMKFKY-RZFFKMDDSA-N 2 1 311.857 1.327 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059155 770309334 /nfs/dbraw/zinc/30/93/34/770309334.db2.gz BNHHDEQVLMKFKY-RZFFKMDDSA-N 2 1 311.857 1.327 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059155 770309346 /nfs/dbraw/zinc/30/93/46/770309346.db2.gz BNHHDEQVLMKFKY-RZFFKMDDSA-N 2 1 311.857 1.327 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049536815 770997489 /nfs/dbraw/zinc/99/74/89/770997489.db2.gz OLKCRMYRMKXEAX-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049536815 770997491 /nfs/dbraw/zinc/99/74/91/770997491.db2.gz OLKCRMYRMKXEAX-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049536815 770997493 /nfs/dbraw/zinc/99/74/93/770997493.db2.gz OLKCRMYRMKXEAX-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049720652 771113735 /nfs/dbraw/zinc/11/37/35/771113735.db2.gz SBIHHAOBTRVZIT-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049720652 771113738 /nfs/dbraw/zinc/11/37/38/771113738.db2.gz SBIHHAOBTRVZIT-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049720652 771113739 /nfs/dbraw/zinc/11/37/39/771113739.db2.gz SBIHHAOBTRVZIT-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001170783865 771278982 /nfs/dbraw/zinc/27/89/82/771278982.db2.gz AJFJHWKHJKGOAI-KRWDZBQOSA-N 2 1 323.481 1.387 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020951 771281189 /nfs/dbraw/zinc/28/11/89/771281189.db2.gz KHEJIRJKSNLWBK-GJZGRUSLSA-N 2 1 316.449 1.658 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086740117 771576153 /nfs/dbraw/zinc/57/61/53/771576153.db2.gz JBIAHDQIYVVUSR-BBWFWOEESA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135810241 771733089 /nfs/dbraw/zinc/73/30/89/771733089.db2.gz AZVWNBZBOFEDTC-KGLIPLIRSA-N 2 1 311.389 1.387 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086802845 771772453 /nfs/dbraw/zinc/77/24/53/771772453.db2.gz CZQBGWHDBQHWNM-HRCADAONSA-N 2 1 314.433 1.262 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995735 771825954 /nfs/dbraw/zinc/82/59/54/771825954.db2.gz KFNOWPDUXXAIHH-HOTGVXAUSA-N 2 1 313.486 1.794 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073605560 773206496 /nfs/dbraw/zinc/20/64/96/773206496.db2.gz NLPBPKYSAGCOPC-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605560 773206501 /nfs/dbraw/zinc/20/65/01/773206501.db2.gz NLPBPKYSAGCOPC-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605560 773206506 /nfs/dbraw/zinc/20/65/06/773206506.db2.gz NLPBPKYSAGCOPC-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677227 773345413 /nfs/dbraw/zinc/34/54/13/773345413.db2.gz NCANAHJJNNMTOV-LMMKCTJWSA-N 2 1 315.461 1.132 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755840 773379645 /nfs/dbraw/zinc/37/96/45/773379645.db2.gz LAHZRCBVEGEUSW-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC001148352011 773445535 /nfs/dbraw/zinc/44/55/35/773445535.db2.gz XONWMWKSFDCMOL-AWEZNQCLSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737921 773555529 /nfs/dbraw/zinc/55/55/29/773555529.db2.gz RJDVPDGQAYMVDP-LMMKCTJWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737921 773555531 /nfs/dbraw/zinc/55/55/31/773555531.db2.gz RJDVPDGQAYMVDP-LMMKCTJWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086909864 773711529 /nfs/dbraw/zinc/71/15/29/773711529.db2.gz FWVFDBPIONTYDL-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086941692 773731309 /nfs/dbraw/zinc/73/13/09/773731309.db2.gz ACMTVSHVIGBSQC-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203497 774004717 /nfs/dbraw/zinc/00/47/17/774004717.db2.gz ACQITSPNGCCTIU-KDOFPFPSSA-N 2 1 312.417 1.175 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203497 774004724 /nfs/dbraw/zinc/00/47/24/774004724.db2.gz ACQITSPNGCCTIU-KDOFPFPSSA-N 2 1 312.417 1.175 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611019 774188544 /nfs/dbraw/zinc/18/85/44/774188544.db2.gz FGUSFZCJDBEIAP-DJIMGWMZSA-N 2 1 303.450 1.036 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001074880612 774210754 /nfs/dbraw/zinc/21/07/54/774210754.db2.gz MBGCVZVTVMAHCX-GRDNDAEWSA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092965321 774340144 /nfs/dbraw/zinc/34/01/44/774340144.db2.gz FSUOWJHFSPIEIQ-VNQPRFMTSA-N 2 1 316.449 1.624 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092965321 774340152 /nfs/dbraw/zinc/34/01/52/774340152.db2.gz FSUOWJHFSPIEIQ-VNQPRFMTSA-N 2 1 316.449 1.624 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036748955 774471286 /nfs/dbraw/zinc/47/12/86/774471286.db2.gz OJZJCTVYPLYLHC-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099120906 774848853 /nfs/dbraw/zinc/84/88/53/774848853.db2.gz KFVDHJKSSFKGGW-YOEHRIQHSA-N 2 1 323.868 1.805 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099120906 774848860 /nfs/dbraw/zinc/84/88/60/774848860.db2.gz KFVDHJKSSFKGGW-YOEHRIQHSA-N 2 1 323.868 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001099137821 774860169 /nfs/dbraw/zinc/86/01/69/774860169.db2.gz DFFVCUAMAMWLGG-WDSOQIARSA-N 2 1 315.461 1.466 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001099137821 774860175 /nfs/dbraw/zinc/86/01/75/774860175.db2.gz DFFVCUAMAMWLGG-WDSOQIARSA-N 2 1 315.461 1.466 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001099137821 774860182 /nfs/dbraw/zinc/86/01/82/774860182.db2.gz DFFVCUAMAMWLGG-WDSOQIARSA-N 2 1 315.461 1.466 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001099306790 774940866 /nfs/dbraw/zinc/94/08/66/774940866.db2.gz UCLMELKITQOUBO-JHJVBQTASA-N 2 1 319.371 1.636 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678256 776431095 /nfs/dbraw/zinc/43/10/95/776431095.db2.gz FDDRWPUYZSNDKF-FHERZECASA-N 2 1 309.454 1.015 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001094999572 776968750 /nfs/dbraw/zinc/96/87/50/776968750.db2.gz IPZJIIXUCWVXKU-XHSDSOJGSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985073 777764375 /nfs/dbraw/zinc/76/43/75/777764375.db2.gz YVRKPRNAKNYWCX-BZUAXINKSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985073 777764385 /nfs/dbraw/zinc/76/43/85/777764385.db2.gz YVRKPRNAKNYWCX-BZUAXINKSA-N 2 1 316.449 1.714 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001176980664 778364551 /nfs/dbraw/zinc/36/45/51/778364551.db2.gz NZMBUUFQMDFRMT-UHFFFAOYSA-N 2 1 302.422 1.494 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001177139631 778458280 /nfs/dbraw/zinc/45/82/80/778458280.db2.gz SLDBQUIYWKFWBQ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001177139631 778458287 /nfs/dbraw/zinc/45/82/87/778458287.db2.gz SLDBQUIYWKFWBQ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177139631 778458289 /nfs/dbraw/zinc/45/82/89/778458289.db2.gz SLDBQUIYWKFWBQ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177139631 778458292 /nfs/dbraw/zinc/45/82/92/778458292.db2.gz SLDBQUIYWKFWBQ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001177157410 778466438 /nfs/dbraw/zinc/46/64/38/778466438.db2.gz RXIXUSLFPKUOPR-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001177157410 778466442 /nfs/dbraw/zinc/46/64/42/778466442.db2.gz RXIXUSLFPKUOPR-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157410 778466445 /nfs/dbraw/zinc/46/64/45/778466445.db2.gz RXIXUSLFPKUOPR-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157410 778466448 /nfs/dbraw/zinc/46/64/48/778466448.db2.gz RXIXUSLFPKUOPR-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103368269 778823738 /nfs/dbraw/zinc/82/37/38/778823738.db2.gz SCNRPOUTVALZSK-VSZNYVQBSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103368269 778823750 /nfs/dbraw/zinc/82/37/50/778823750.db2.gz SCNRPOUTVALZSK-VSZNYVQBSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103368269 778823758 /nfs/dbraw/zinc/82/37/58/778823758.db2.gz SCNRPOUTVALZSK-VSZNYVQBSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426781 778860548 /nfs/dbraw/zinc/86/05/48/778860548.db2.gz MQBKJBXBDXBSLM-ZACQAIPSSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001179081199 779279234 /nfs/dbraw/zinc/27/92/34/779279234.db2.gz XPZOIARREQEUME-PQUAAJSLSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395033 779356565 /nfs/dbraw/zinc/35/65/65/779356565.db2.gz DDMRHYKZCFITBP-INIZCTEOSA-N 2 1 316.449 1.653 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778761 779476897 /nfs/dbraw/zinc/47/68/97/779476897.db2.gz KPRFDAXMWBDBEW-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778761 779476900 /nfs/dbraw/zinc/47/69/00/779476900.db2.gz KPRFDAXMWBDBEW-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778761 779476903 /nfs/dbraw/zinc/47/69/03/779476903.db2.gz KPRFDAXMWBDBEW-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111952605 779576551 /nfs/dbraw/zinc/57/65/51/779576551.db2.gz QMDCKPSVYFMMNZ-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952605 779576558 /nfs/dbraw/zinc/57/65/58/779576558.db2.gz QMDCKPSVYFMMNZ-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111952605 779576562 /nfs/dbraw/zinc/57/65/62/779576562.db2.gz QMDCKPSVYFMMNZ-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115254259 779982681 /nfs/dbraw/zinc/98/26/81/779982681.db2.gz LMURZXFTIJQIEW-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115302509 780019001 /nfs/dbraw/zinc/01/90/01/780019001.db2.gz UFKMHIALYGPENR-LTIDMASMSA-N 2 1 303.450 1.177 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001119596176 781530853 /nfs/dbraw/zinc/53/08/53/781530853.db2.gz KPNGGABMBGPUGH-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001119596176 781530858 /nfs/dbraw/zinc/53/08/58/781530858.db2.gz KPNGGABMBGPUGH-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267208510 837536570 /nfs/dbraw/zinc/53/65/70/837536570.db2.gz RFWZDGSFVURIJH-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP CC[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[NH+](C)C ZINC001267248953 837667829 /nfs/dbraw/zinc/66/78/29/837667829.db2.gz LGZLPQINEZFFLC-UHFFFAOYSA-N 2 1 319.424 1.567 20 30 DDEDMP CC[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)CC[NH+](C)C ZINC001267248953 837667835 /nfs/dbraw/zinc/66/78/35/837667835.db2.gz LGZLPQINEZFFLC-UHFFFAOYSA-N 2 1 319.424 1.567 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266471994 836311317 /nfs/dbraw/zinc/31/13/17/836311317.db2.gz ABXMCPXUSWSYFY-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266471994 836311329 /nfs/dbraw/zinc/31/13/29/836311329.db2.gz ABXMCPXUSWSYFY-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266471994 836311340 /nfs/dbraw/zinc/31/13/40/836311340.db2.gz ABXMCPXUSWSYFY-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001279443475 836493733 /nfs/dbraw/zinc/49/37/33/836493733.db2.gz UILJLGXXAUGCKR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCCCC)C1 ZINC001267012120 837186472 /nfs/dbraw/zinc/18/64/72/837186472.db2.gz WYFXOTVWPXJYMH-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCCCC)C1 ZINC001267012120 837186477 /nfs/dbraw/zinc/18/64/77/837186477.db2.gz WYFXOTVWPXJYMH-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001267548463 838285578 /nfs/dbraw/zinc/28/55/78/838285578.db2.gz GEHNXDVSYILADH-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCN1CC[C@H](N(CCC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001267548463 838285588 /nfs/dbraw/zinc/28/55/88/838285588.db2.gz GEHNXDVSYILADH-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267684818 838638658 /nfs/dbraw/zinc/63/86/58/838638658.db2.gz SIWVPJZUKMQFGY-CRAIPNDOSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267684818 838638661 /nfs/dbraw/zinc/63/86/61/838638661.db2.gz SIWVPJZUKMQFGY-CRAIPNDOSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267684818 838638664 /nfs/dbraw/zinc/63/86/64/838638664.db2.gz SIWVPJZUKMQFGY-CRAIPNDOSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001267730343 838769426 /nfs/dbraw/zinc/76/94/26/838769426.db2.gz SDCCKIARTKFEJR-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001267730343 838769435 /nfs/dbraw/zinc/76/94/35/838769435.db2.gz SDCCKIARTKFEJR-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001267730343 838769440 /nfs/dbraw/zinc/76/94/40/838769440.db2.gz SDCCKIARTKFEJR-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267817742 839023943 /nfs/dbraw/zinc/02/39/43/839023943.db2.gz RIHCVKUBLRENMJ-CABCVRRESA-N 2 1 304.438 1.814 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC)CC1 ZINC001268199766 839831168 /nfs/dbraw/zinc/83/11/68/839831168.db2.gz LCWCRABORMTHFK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](C)CC)CC1 ZINC001268199766 839831171 /nfs/dbraw/zinc/83/11/71/839831171.db2.gz LCWCRABORMTHFK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](C)CC)CC1 ZINC001268199766 839831175 /nfs/dbraw/zinc/83/11/75/839831175.db2.gz LCWCRABORMTHFK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC)CC1 ZINC001268199766 839831179 /nfs/dbraw/zinc/83/11/79/839831179.db2.gz LCWCRABORMTHFK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](C)CC)CC1 ZINC001268199766 839831181 /nfs/dbraw/zinc/83/11/81/839831181.db2.gz LCWCRABORMTHFK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)no1 ZINC001268799357 840829279 /nfs/dbraw/zinc/82/92/79/840829279.db2.gz ZAQPFSWZQFWIFQ-INIZCTEOSA-N 2 1 318.421 1.019 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)no1 ZINC001268799357 840829284 /nfs/dbraw/zinc/82/92/84/840829284.db2.gz ZAQPFSWZQFWIFQ-INIZCTEOSA-N 2 1 318.421 1.019 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CN(C)Cc2ccccc2)C1 ZINC001269301930 841490780 /nfs/dbraw/zinc/49/07/80/841490780.db2.gz ONYIZZXSDMYACA-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269301930 841490784 /nfs/dbraw/zinc/49/07/84/841490784.db2.gz ONYIZZXSDMYACA-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269301930 841490790 /nfs/dbraw/zinc/49/07/90/841490790.db2.gz ONYIZZXSDMYACA-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269301930 841490796 /nfs/dbraw/zinc/49/07/96/841490796.db2.gz ONYIZZXSDMYACA-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269301930 841490800 /nfs/dbraw/zinc/49/08/00/841490800.db2.gz ONYIZZXSDMYACA-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001269672602 841921073 /nfs/dbraw/zinc/92/10/73/841921073.db2.gz XIFSTFHUEZQHKF-RHSMWYFYSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CCOCC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001328794110 863230006 /nfs/dbraw/zinc/23/00/06/863230006.db2.gz ROJLLGBMYDHPES-UHFFFAOYSA-N 2 1 302.418 1.600 20 30 DDEDMP C#CCOCC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001328794110 863230024 /nfs/dbraw/zinc/23/00/24/863230024.db2.gz ROJLLGBMYDHPES-UHFFFAOYSA-N 2 1 302.418 1.600 20 30 DDEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154903792 861552854 /nfs/dbraw/zinc/55/28/54/861552854.db2.gz DOAVKFRVQVSARG-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154903792 861552865 /nfs/dbraw/zinc/55/28/65/861552865.db2.gz DOAVKFRVQVSARG-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273101261 847910225 /nfs/dbraw/zinc/91/02/25/847910225.db2.gz QRJIWGYKFLJSIH-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034204302 848095004 /nfs/dbraw/zinc/09/50/04/848095004.db2.gz LONZWXDCSHDRTO-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034204302 848095008 /nfs/dbraw/zinc/09/50/08/848095008.db2.gz LONZWXDCSHDRTO-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841662 861935742 /nfs/dbraw/zinc/93/57/42/861935742.db2.gz ICTKXHKVMPCROC-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841662 861935748 /nfs/dbraw/zinc/93/57/48/861935748.db2.gz ICTKXHKVMPCROC-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001149841662 861935751 /nfs/dbraw/zinc/93/57/51/861935751.db2.gz ICTKXHKVMPCROC-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP COc1ccc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)cc1C#N ZINC001152439200 863345298 /nfs/dbraw/zinc/34/52/98/863345298.db2.gz DTHULIWENMLNOK-UHFFFAOYSA-N 2 1 318.421 1.113 20 30 DDEDMP C[NH+]1CCC([NH+]2CCC3(C[C@H]3C(=O)NCCCC#N)CC2)CC1 ZINC001273826851 851391503 /nfs/dbraw/zinc/39/15/03/851391503.db2.gz IDOMDZGXUSQYTK-INIZCTEOSA-N 2 1 318.465 1.603 20 30 DDEDMP C=CCNC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001273863852 851435814 /nfs/dbraw/zinc/43/58/14/851435814.db2.gz QHXHNBFVFDLHSE-HUUCEWRRSA-N 2 1 323.481 1.140 20 30 DDEDMP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001273903201 851486376 /nfs/dbraw/zinc/48/63/76/851486376.db2.gz LKLKKLWHZRTNME-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C[NH+](C)CCN1c2ccccc2[C@@]2(CC[N@@H+](CCC#N)C2)C1=O ZINC001274031275 851869925 /nfs/dbraw/zinc/86/99/25/851869925.db2.gz MHMTYRBOVJSDRS-SFHVURJKSA-N 2 1 312.417 1.452 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274654447 852488411 /nfs/dbraw/zinc/48/84/11/852488411.db2.gz DWUWLAGLVJFWOQ-SJLPKXTDSA-N 2 1 323.481 1.190 20 30 DDEDMP C#Cc1ccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)cc1 ZINC001275132053 852828704 /nfs/dbraw/zinc/82/87/04/852828704.db2.gz NFHIGIPGKIITAG-OALUTQOASA-N 2 1 313.445 1.115 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001275150159 852841223 /nfs/dbraw/zinc/84/12/23/852841223.db2.gz BVLMKJQZFXGCOD-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001275167232 852854875 /nfs/dbraw/zinc/85/48/75/852854875.db2.gz OJSDMDNDPPDTKS-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001275167232 852854881 /nfs/dbraw/zinc/85/48/81/852854881.db2.gz OJSDMDNDPPDTKS-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001275167232 852854887 /nfs/dbraw/zinc/85/48/87/852854887.db2.gz OJSDMDNDPPDTKS-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001275167232 852854891 /nfs/dbraw/zinc/85/48/91/852854891.db2.gz OJSDMDNDPPDTKS-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717565 862430896 /nfs/dbraw/zinc/43/08/96/862430896.db2.gz YTTYIBQKWMYZOB-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150795901 862472503 /nfs/dbraw/zinc/47/25/03/862472503.db2.gz RFEFZLJMSXNQHX-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001276009836 854149887 /nfs/dbraw/zinc/14/98/87/854149887.db2.gz APDLKMJMVGERDO-HNNXBMFYSA-N 2 1 301.434 1.822 20 30 DDEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001151021075 862579812 /nfs/dbraw/zinc/57/98/12/862579812.db2.gz KEACUMMHUJUBAS-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]CC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000719961094 854970779 /nfs/dbraw/zinc/97/07/79/854970779.db2.gz VXIGWNAKHJWSSA-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001151388169 862754301 /nfs/dbraw/zinc/75/43/01/862754301.db2.gz XEVXDCFDDBLDIN-UHFFFAOYSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049563560 856981496 /nfs/dbraw/zinc/98/14/96/856981496.db2.gz DCIJIOGGXAZYDM-MSOLQXFVSA-N 2 1 322.412 1.955 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC001072870330 857823590 /nfs/dbraw/zinc/82/35/90/857823590.db2.gz FNXHPGDMQRNOBR-OAHLLOKOSA-N 2 1 314.433 1.556 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001121830073 858607593 /nfs/dbraw/zinc/60/75/93/858607593.db2.gz RHEITKXIIVZFNR-OAHLLOKOSA-N 2 1 306.454 1.114 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224560533 881448614 /nfs/dbraw/zinc/44/86/14/881448614.db2.gz VTMZPIJDLUICSL-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)CC[NH+](CC)CC ZINC001276980385 881445463 /nfs/dbraw/zinc/44/54/63/881445463.db2.gz XJVZYSQCEXUTSB-AEFFLSMTSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001154272644 860941244 /nfs/dbraw/zinc/94/12/44/860941244.db2.gz JSLJKPBASZIQHH-CQSZACIVSA-N 2 1 313.405 1.894 20 30 DDEDMP C#CCOCC[N@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC001328794110 863229997 /nfs/dbraw/zinc/22/99/97/863229997.db2.gz ROJLLGBMYDHPES-UHFFFAOYSA-N 2 1 302.418 1.600 20 30 DDEDMP N#Cc1ccccc1CNc1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001156786675 863342652 /nfs/dbraw/zinc/34/26/52/863342652.db2.gz JXHMVNKOEGCTLR-UHFFFAOYSA-N 2 1 308.389 1.888 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001330186539 864137849 /nfs/dbraw/zinc/13/78/49/864137849.db2.gz ZBIYKOXIPBSWSE-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001330186539 864137854 /nfs/dbraw/zinc/13/78/54/864137854.db2.gz ZBIYKOXIPBSWSE-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001330186539 864137861 /nfs/dbraw/zinc/13/78/61/864137861.db2.gz ZBIYKOXIPBSWSE-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001330186539 864137868 /nfs/dbraw/zinc/13/78/68/864137868.db2.gz ZBIYKOXIPBSWSE-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001331279221 864984454 /nfs/dbraw/zinc/98/44/54/864984454.db2.gz BXONDORNULLCDL-IAGOWNOFSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001159627778 865439635 /nfs/dbraw/zinc/43/96/35/865439635.db2.gz AHLLJZLSEYIMHY-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159627778 865439637 /nfs/dbraw/zinc/43/96/37/865439637.db2.gz AHLLJZLSEYIMHY-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159627778 865439642 /nfs/dbraw/zinc/43/96/42/865439642.db2.gz AHLLJZLSEYIMHY-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001159907899 865588448 /nfs/dbraw/zinc/58/84/48/865588448.db2.gz FDLWSHKDEPORLQ-MRXNPFEDSA-N 2 1 311.470 1.548 20 30 DDEDMP CC[C@H](C(=O)NCCC1=CC[N@@H+](CC#CCOC)CC1)[NH+](C)C ZINC001160474031 865866573 /nfs/dbraw/zinc/86/65/73/865866573.db2.gz XBMSQECQLZIRCH-QGZVFWFLSA-N 2 1 321.465 1.115 20 30 DDEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001320474918 866766017 /nfs/dbraw/zinc/76/60/17/866766017.db2.gz VQKYKQBHWVPHOI-DLBZAZTESA-N 2 1 323.481 1.241 20 30 DDEDMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320826118 867057028 /nfs/dbraw/zinc/05/70/28/867057028.db2.gz AOKGDWCLVWEXMA-KBPBESRZSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001324252236 867165946 /nfs/dbraw/zinc/16/59/46/867165946.db2.gz YOEYNILQNGUGJQ-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001162678997 867719584 /nfs/dbraw/zinc/71/95/84/867719584.db2.gz HPXSXVQZTOYDLL-UHFFFAOYSA-N 2 1 304.438 1.824 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165727560 869692159 /nfs/dbraw/zinc/69/21/59/869692159.db2.gz DHMZFZHLPXSJRI-DLBZAZTESA-N 2 1 317.477 1.903 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814488 870271945 /nfs/dbraw/zinc/27/19/45/870271945.db2.gz GHZFJNGSIQLPNN-HNNXBMFYSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317137148 870340362 /nfs/dbraw/zinc/34/03/62/870340362.db2.gz FTGYMHDCFWLYHE-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317137148 870340372 /nfs/dbraw/zinc/34/03/72/870340372.db2.gz FTGYMHDCFWLYHE-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317137148 870340385 /nfs/dbraw/zinc/34/03/85/870340385.db2.gz FTGYMHDCFWLYHE-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317241245 870525388 /nfs/dbraw/zinc/52/53/88/870525388.db2.gz LBNJDWIHFLXXSC-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001339897999 870767548 /nfs/dbraw/zinc/76/75/48/870767548.db2.gz JKMKYLJRQAPGGX-MRXNPFEDSA-N 2 1 308.470 1.810 20 30 DDEDMP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1)[NH+](CC)CC ZINC001276432339 870857941 /nfs/dbraw/zinc/85/79/41/870857941.db2.gz LVJPHRGSAYMIOJ-DOTOQJQBSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317505406 870943231 /nfs/dbraw/zinc/94/32/31/870943231.db2.gz LKATYKHCTRBYHX-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317505406 870943236 /nfs/dbraw/zinc/94/32/36/870943236.db2.gz LKATYKHCTRBYHX-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+](CCC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317545841 871041535 /nfs/dbraw/zinc/04/15/35/871041535.db2.gz LLHIEKZXXZYDOQ-MRXNPFEDSA-N 2 1 316.449 1.605 20 30 DDEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001317545841 871041550 /nfs/dbraw/zinc/04/15/50/871041550.db2.gz LLHIEKZXXZYDOQ-MRXNPFEDSA-N 2 1 316.449 1.605 20 30 DDEDMP COCC#CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317471604 871439609 /nfs/dbraw/zinc/43/96/09/871439609.db2.gz MGQMBSPSGILBMW-KRWDZBQOSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317471604 871439621 /nfs/dbraw/zinc/43/96/21/871439621.db2.gz MGQMBSPSGILBMW-KRWDZBQOSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317800787 871526187 /nfs/dbraw/zinc/52/61/87/871526187.db2.gz KNJBZHHZIYQJGZ-MAUKXSAKSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317800787 871526198 /nfs/dbraw/zinc/52/61/98/871526198.db2.gz KNJBZHHZIYQJGZ-MAUKXSAKSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317800787 871526207 /nfs/dbraw/zinc/52/62/07/871526207.db2.gz KNJBZHHZIYQJGZ-MAUKXSAKSA-N 2 1 323.456 1.660 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC001317980971 871668696 /nfs/dbraw/zinc/66/86/96/871668696.db2.gz AWIQLXHOKVKWTK-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001317980971 871668703 /nfs/dbraw/zinc/66/87/03/871668703.db2.gz AWIQLXHOKVKWTK-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001319310627 872562241 /nfs/dbraw/zinc/56/22/41/872562241.db2.gz QUOYCRDHOROPMP-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001319310627 872562245 /nfs/dbraw/zinc/56/22/45/872562245.db2.gz QUOYCRDHOROPMP-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001319310627 872562252 /nfs/dbraw/zinc/56/22/52/872562252.db2.gz QUOYCRDHOROPMP-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001319516700 872672406 /nfs/dbraw/zinc/67/24/06/872672406.db2.gz ZQVLSRWLZAAWEF-RDJZCZTQSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001208355986 874053243 /nfs/dbraw/zinc/05/32/43/874053243.db2.gz KOFPNIPIGMSPEF-SJORKVTESA-N 2 1 323.456 1.804 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCCF)C1 ZINC001208355986 874053261 /nfs/dbraw/zinc/05/32/61/874053261.db2.gz KOFPNIPIGMSPEF-SJORKVTESA-N 2 1 323.456 1.804 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208357708 874055255 /nfs/dbraw/zinc/05/52/55/874055255.db2.gz ACRDOPXMEGNGQY-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954297 875177599 /nfs/dbraw/zinc/17/75/99/875177599.db2.gz WKADPXVOYZRYAW-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001276711580 876343482 /nfs/dbraw/zinc/34/34/82/876343482.db2.gz KSURZECPYMBDMX-DLBZAZTESA-N 2 1 301.434 1.960 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001214850420 876482184 /nfs/dbraw/zinc/48/21/84/876482184.db2.gz VPIMLQGQVYCZRM-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC001353316070 877248871 /nfs/dbraw/zinc/24/88/71/877248871.db2.gz MEBDILYCBHVKMJ-KRWDZBQOSA-N 2 1 319.449 1.135 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001218162719 877411281 /nfs/dbraw/zinc/41/12/81/877411281.db2.gz SUXUIRPXYVSBQA-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001353571978 877426717 /nfs/dbraw/zinc/42/67/17/877426717.db2.gz SREYASHCIIOXDP-HZPDHXFCSA-N 2 1 323.481 1.820 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001379696799 877765273 /nfs/dbraw/zinc/76/52/73/877765273.db2.gz QXTYUZMQHVBEPH-UONOGXRCSA-N 2 1 310.829 1.819 20 30 DDEDMP C#CCNC(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001219879344 878562371 /nfs/dbraw/zinc/56/23/71/878562371.db2.gz DGHWABVBOPTKBZ-IEBWSBKVSA-N 2 1 311.429 1.238 20 30 DDEDMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001219980539 878631123 /nfs/dbraw/zinc/63/11/23/878631123.db2.gz KSYIRVUQOCRHJP-PBHICJAKSA-N 2 1 314.433 1.276 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078170 878693557 /nfs/dbraw/zinc/69/35/57/878693557.db2.gz JEQLEHIVXNWZEJ-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616941 879973780 /nfs/dbraw/zinc/97/37/80/879973780.db2.gz XFCIYSWOMHSCBZ-BRWVUGGUSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772468 880068190 /nfs/dbraw/zinc/06/81/90/880068190.db2.gz BKSYQFDODLYANN-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221950424 880163264 /nfs/dbraw/zinc/16/32/64/880163264.db2.gz HLCAKLIPNMBNOX-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954594 883252684 /nfs/dbraw/zinc/25/26/84/883252684.db2.gz VXGVUSZHPDDYPH-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954594 883252700 /nfs/dbraw/zinc/25/27/00/883252700.db2.gz VXGVUSZHPDDYPH-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001277324895 883646892 /nfs/dbraw/zinc/64/68/92/883646892.db2.gz SALYUFHVBHBWRC-ALOPSCKCSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001245998877 892316395 /nfs/dbraw/zinc/31/63/95/892316395.db2.gz GQSNTGVFVVUQLV-HOTGVXAUSA-N 2 1 324.396 1.676 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCc2ncsc2C1 ZINC001246304612 892528518 /nfs/dbraw/zinc/52/85/18/892528518.db2.gz NXMGMEWIGOTYIX-STQMWFEESA-N 2 1 323.462 1.817 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278459057 892753709 /nfs/dbraw/zinc/75/37/09/892753709.db2.gz IAEVPEPKQXHXQV-BQFCYCMXSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCOC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001251852007 894848431 /nfs/dbraw/zinc/84/84/31/894848431.db2.gz YADPQSCYNJTNSR-OALUTQOASA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001251852007 894848440 /nfs/dbraw/zinc/84/84/40/894848440.db2.gz YADPQSCYNJTNSR-OALUTQOASA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001251852007 894848452 /nfs/dbraw/zinc/84/84/52/894848452.db2.gz YADPQSCYNJTNSR-OALUTQOASA-N 2 1 316.445 1.451 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253575850 895899291 /nfs/dbraw/zinc/89/92/91/895899291.db2.gz GGOJFEGAOFJADW-GOEBONIOSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001253575850 895899309 /nfs/dbraw/zinc/89/93/09/895899309.db2.gz GGOJFEGAOFJADW-GOEBONIOSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367289455 896358658 /nfs/dbraw/zinc/35/86/58/896358658.db2.gz PMHJFZGLCOOMMI-OCCSQVGLSA-N 2 1 301.862 1.955 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001263991459 900863876 /nfs/dbraw/zinc/86/38/76/900863876.db2.gz CMEKOAZWKBFWMZ-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001265390268 901957602 /nfs/dbraw/zinc/95/76/02/901957602.db2.gz AUZYXGXPHLZGIS-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001265390268 901957612 /nfs/dbraw/zinc/95/76/12/901957612.db2.gz AUZYXGXPHLZGIS-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC(C)C)C1 ZINC001265390268 901957629 /nfs/dbraw/zinc/95/76/29/901957629.db2.gz AUZYXGXPHLZGIS-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC(C)C)C1 ZINC001265390268 901957643 /nfs/dbraw/zinc/95/76/43/901957643.db2.gz AUZYXGXPHLZGIS-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001265595258 902176329 /nfs/dbraw/zinc/17/63/29/902176329.db2.gz VOZORQVCYCVCEQ-KRWDZBQOSA-N 2 1 323.481 1.196 20 30 DDEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001265595258 902176336 /nfs/dbraw/zinc/17/63/36/902176336.db2.gz VOZORQVCYCVCEQ-KRWDZBQOSA-N 2 1 323.481 1.196 20 30 DDEDMP CCC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001265595258 902176344 /nfs/dbraw/zinc/17/63/44/902176344.db2.gz VOZORQVCYCVCEQ-KRWDZBQOSA-N 2 1 323.481 1.196 20 30 DDEDMP C#CC[NH2+]CCc1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001266088439 902913536 /nfs/dbraw/zinc/91/35/36/902913536.db2.gz XSMIXNKXZQMJOL-SFHVURJKSA-N 2 1 313.445 1.410 20 30 DDEDMP C=CCOCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266195183 903085672 /nfs/dbraw/zinc/08/56/72/903085672.db2.gz OWOPLBQQWBGLJM-OAHLLOKOSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001279722383 903399900 /nfs/dbraw/zinc/39/99/00/903399900.db2.gz IHRJMJMGSLFJPB-HNNXBMFYSA-N 2 1 303.381 1.116 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001281139394 904463911 /nfs/dbraw/zinc/46/39/11/904463911.db2.gz YOIXFIXVFUOZGQ-SJLPKXTDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001371268282 904608544 /nfs/dbraw/zinc/60/85/44/904608544.db2.gz PYPNLRNGTGDOQU-KBPBESRZSA-N 2 1 301.862 1.954 20 30 DDEDMP C#CCC[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001281833799 905255527 /nfs/dbraw/zinc/25/55/27/905255527.db2.gz RNPBYAPOUTYQPH-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001281833799 905255539 /nfs/dbraw/zinc/25/55/39/905255539.db2.gz RNPBYAPOUTYQPH-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001281901567 905301578 /nfs/dbraw/zinc/30/15/78/905301578.db2.gz NNEMAAWRAQUDIZ-KZNAEPCWSA-N 2 1 311.429 1.476 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001281975414 905380773 /nfs/dbraw/zinc/38/07/73/905380773.db2.gz MYHNNGDQZULLSJ-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281975414 905380785 /nfs/dbraw/zinc/38/07/85/905380785.db2.gz MYHNNGDQZULLSJ-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281975414 905380798 /nfs/dbraw/zinc/38/07/98/905380798.db2.gz MYHNNGDQZULLSJ-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282213193 905618608 /nfs/dbraw/zinc/61/86/08/905618608.db2.gz CLSWPFOBLWGWQC-IAGOWNOFSA-N 2 1 315.461 1.863 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282213195 905619276 /nfs/dbraw/zinc/61/92/76/905619276.db2.gz CLSWPFOBLWGWQC-SJORKVTESA-N 2 1 315.461 1.863 20 30 DDEDMP COCC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001282335276 905698050 /nfs/dbraw/zinc/69/80/50/905698050.db2.gz OEJFSISWSFTXSX-UHFFFAOYSA-N 2 1 311.470 1.051 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001282860324 906113367 /nfs/dbraw/zinc/11/33/67/906113367.db2.gz GPKCEEUCFYWMKX-PHZGNYQRSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001283528031 907544239 /nfs/dbraw/zinc/54/42/39/907544239.db2.gz AAFGWFWTJLWYPT-RDJZCZTQSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001283611381 907676057 /nfs/dbraw/zinc/67/60/57/907676057.db2.gz AZIRXCNVRSGZDH-SWLSCSKDSA-N 2 1 305.426 1.413 20 30 DDEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001283611381 907676063 /nfs/dbraw/zinc/67/60/63/907676063.db2.gz AZIRXCNVRSGZDH-SWLSCSKDSA-N 2 1 305.426 1.413 20 30 DDEDMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001373681842 910604871 /nfs/dbraw/zinc/60/48/71/910604871.db2.gz VKSVNHWAUJFYMT-ZDUSSCGKSA-N 2 1 320.462 1.604 20 30 DDEDMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001373681842 910604880 /nfs/dbraw/zinc/60/48/80/910604880.db2.gz VKSVNHWAUJFYMT-ZDUSSCGKSA-N 2 1 320.462 1.604 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001376838814 919542993 /nfs/dbraw/zinc/54/29/93/919542993.db2.gz HYQPQLPUWPXBTL-ZDUSSCGKSA-N 2 1 320.412 1.633 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330222469 530055526 /nfs/dbraw/zinc/05/55/26/530055526.db2.gz MLCXISGMDDTVTR-BZUAXINKSA-N 2 1 309.454 1.805 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC000073640463 353263158 /nfs/dbraw/zinc/26/31/58/353263158.db2.gz MZUNMGFROQDLMH-DLBZAZTESA-N 2 1 323.481 1.522 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC000073640463 353263160 /nfs/dbraw/zinc/26/31/60/353263160.db2.gz MZUNMGFROQDLMH-DLBZAZTESA-N 2 1 323.481 1.522 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598595418 357646816 /nfs/dbraw/zinc/64/68/16/357646816.db2.gz NRGDLONRXORNOD-HZPDHXFCSA-N 2 1 311.470 1.720 20 30 DDEDMP N#Cc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000602711599 359141719 /nfs/dbraw/zinc/14/17/19/359141719.db2.gz RQNSKNOHBXVCHB-LJQANCHMSA-N 2 1 322.412 1.810 20 30 DDEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000336875116 249281007 /nfs/dbraw/zinc/28/10/07/249281007.db2.gz AXLRAAXUZVODNX-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000336875116 249281009 /nfs/dbraw/zinc/28/10/09/249281009.db2.gz AXLRAAXUZVODNX-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000336875116 249281010 /nfs/dbraw/zinc/28/10/10/249281010.db2.gz AXLRAAXUZVODNX-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP C[C@@](C#N)(NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000047969709 407085251 /nfs/dbraw/zinc/08/52/51/407085251.db2.gz CIIQAIJOXOQZKL-SFHVURJKSA-N 2 1 318.465 1.603 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC[C@@](C)(O)c1cccs1 ZINC000261758196 407603018 /nfs/dbraw/zinc/60/30/18/407603018.db2.gz OATCQFLRPUNZBZ-IUODEOHRSA-N 2 1 310.467 1.072 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1nc(C)cs1 ZINC000273551227 408244017 /nfs/dbraw/zinc/24/40/17/408244017.db2.gz YWUUUMAXWJYCRJ-YPMHNXCESA-N 2 1 309.483 1.944 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289490913 409280433 /nfs/dbraw/zinc/28/04/33/409280433.db2.gz SOPQHOXKMHKNMK-UHFFFAOYSA-N 2 1 310.486 1.002 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000294894373 409306449 /nfs/dbraw/zinc/30/64/49/409306449.db2.gz FEUHSPRHBHLZDZ-OAHLLOKOSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000294894373 409306453 /nfs/dbraw/zinc/30/64/53/409306453.db2.gz FEUHSPRHBHLZDZ-OAHLLOKOSA-N 2 1 317.433 1.957 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCN(Cc3ccccc3)CC2)N1 ZINC000284968254 409381775 /nfs/dbraw/zinc/38/17/75/409381775.db2.gz GARIBAINEKQMQY-MRXNPFEDSA-N 2 1 315.465 1.132 20 30 DDEDMP CC(C)(O)[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000351181614 410043551 /nfs/dbraw/zinc/04/35/51/410043551.db2.gz IXVKSACDBVNVPE-HOTGVXAUSA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@H](C1CC[NH+](C)CC1)N(C)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330279945 410612397 /nfs/dbraw/zinc/61/23/97/410612397.db2.gz RUNKUDBANRHNGF-UKRRQHHQSA-N 2 1 319.453 1.774 20 30 DDEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000374166238 418499327 /nfs/dbraw/zinc/49/93/27/418499327.db2.gz VZWWOPCSRDRDTE-QGZVFWFLSA-N 2 1 318.465 1.603 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261990031 222267956 /nfs/dbraw/zinc/26/79/56/222267956.db2.gz RBOOLGFILLQHBU-CZUORRHYSA-N 2 1 301.438 1.538 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCS[C@H](C(C)C)C1 ZINC000261780406 222257913 /nfs/dbraw/zinc/25/79/13/222257913.db2.gz PGPSOEFXHJEMHU-AWEZNQCLSA-N 2 1 300.516 1.975 20 30 DDEDMP CC[NH+]=C(NCc1scnc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261942686 222262597 /nfs/dbraw/zinc/26/25/97/222262597.db2.gz DWFWVZTUIAXARB-BXUZGUMPSA-N 2 1 321.494 1.989 20 30 DDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CC[C@@]3(CCOC3)C2)C1 ZINC000261959872 222264661 /nfs/dbraw/zinc/26/46/61/222264661.db2.gz JWBBYBSJWFOQGK-NVXWUHKLSA-N 2 1 308.470 1.406 20 30 DDEDMP CC(C)(C)NC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264125891 222322646 /nfs/dbraw/zinc/32/26/46/222322646.db2.gz WGEYHMIJLCMTIC-UHFFFAOYSA-N 2 1 318.469 1.297 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000264140039 222324876 /nfs/dbraw/zinc/32/48/76/222324876.db2.gz WBWQLQMUWDVZRF-OAHLLOKOSA-N 2 1 320.437 1.383 20 30 DDEDMP C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262022656 222271085 /nfs/dbraw/zinc/27/10/85/222271085.db2.gz ZDMGLJCATXVFTI-SWLSCSKDSA-N 2 1 317.437 1.238 20 30 DDEDMP CN(C)C(=[NH+]C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C ZINC000263263659 222307250 /nfs/dbraw/zinc/30/72/50/222307250.db2.gz UJHHRKHCECFIPP-MRXNPFEDSA-N 2 1 304.438 1.367 20 30 DDEDMP CN(C)C(=[NH+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C ZINC000263263659 222307254 /nfs/dbraw/zinc/30/72/54/222307254.db2.gz UJHHRKHCECFIPP-MRXNPFEDSA-N 2 1 304.438 1.367 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000375722749 418676919 /nfs/dbraw/zinc/67/69/19/418676919.db2.gz BANCVGWWJVLGJL-MRXNPFEDSA-N 2 1 320.481 1.945 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000375722749 418676920 /nfs/dbraw/zinc/67/69/20/418676920.db2.gz BANCVGWWJVLGJL-MRXNPFEDSA-N 2 1 320.481 1.945 20 30 DDEDMP C=CCN(C(=O)C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363844011 418770230 /nfs/dbraw/zinc/77/02/30/418770230.db2.gz KYIMWGROFFTCAM-KRWDZBQOSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CCN(C(=O)C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363844011 418770233 /nfs/dbraw/zinc/77/02/33/418770233.db2.gz KYIMWGROFFTCAM-KRWDZBQOSA-N 2 1 301.434 1.837 20 30 DDEDMP Cn1cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C#N ZINC000372816463 418905531 /nfs/dbraw/zinc/90/55/31/418905531.db2.gz UJZQJVHDQOTZQD-MRXNPFEDSA-N 2 1 301.438 1.109 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000491636600 421200220 /nfs/dbraw/zinc/20/02/20/421200220.db2.gz SXYBKRPGRQBZCK-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720966 422587989 /nfs/dbraw/zinc/58/79/89/422587989.db2.gz RGMYPEOIDNKFNY-QZTJIDSGSA-N 2 1 304.434 1.540 20 30 DDEDMP C=CCC[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720966 422587995 /nfs/dbraw/zinc/58/79/95/422587995.db2.gz RGMYPEOIDNKFNY-QZTJIDSGSA-N 2 1 304.434 1.540 20 30 DDEDMP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000651710552 423652818 /nfs/dbraw/zinc/65/28/18/423652818.db2.gz GARHSMDVAIZNLX-KZNAEPCWSA-N 2 1 307.482 1.727 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293218 424552113 /nfs/dbraw/zinc/55/21/13/424552113.db2.gz DIYKRRSTNLWTPW-QGZVFWFLSA-N 2 1 305.466 1.899 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000361572644 266116036 /nfs/dbraw/zinc/11/60/36/266116036.db2.gz UZBFEWWKERRPEO-QGZVFWFLSA-N 2 1 304.438 1.829 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1noc2c1CCCC2 ZINC000262296231 276184227 /nfs/dbraw/zinc/18/42/27/276184227.db2.gz IVVRKMFSLVDFHX-LBPRGKRZSA-N 2 1 305.426 1.442 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412092608 278096351 /nfs/dbraw/zinc/09/63/51/278096351.db2.gz RINKVUROXUQFAT-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[N@H+]1CC#CC[NH+]1CCC[C@@H](CO)[C@@H]1C ZINC000412092608 278096353 /nfs/dbraw/zinc/09/63/53/278096353.db2.gz RINKVUROXUQFAT-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC#CC[NH+]1CCC[C@@H](CO)[C@@H]1C ZINC000412092608 278096354 /nfs/dbraw/zinc/09/63/54/278096354.db2.gz RINKVUROXUQFAT-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP CCNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)=[NH+]CC ZINC000371740910 278166639 /nfs/dbraw/zinc/16/66/39/278166639.db2.gz VYAUFHPWHKSMMM-DZGCQCFKSA-N 2 1 306.458 1.378 20 30 DDEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330275168 288071847 /nfs/dbraw/zinc/07/18/47/288071847.db2.gz LCVQEMXGDRUWIQ-MCIONIFRSA-N 2 1 305.426 1.384 20 30 DDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330275168 288071848 /nfs/dbraw/zinc/07/18/48/288071848.db2.gz LCVQEMXGDRUWIQ-MCIONIFRSA-N 2 1 305.426 1.384 20 30 DDEDMP CC[N@@H+](CCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000304467791 279170547 /nfs/dbraw/zinc/17/05/47/279170547.db2.gz CEGWYFXIJWTCKU-OAHLLOKOSA-N 2 1 302.422 1.899 20 30 DDEDMP COCCN(C)C[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170437 308022874 /nfs/dbraw/zinc/02/28/74/308022874.db2.gz LARMQYOPDLAXQV-PBHICJAKSA-N 2 1 305.422 1.490 20 30 DDEDMP COCCN(C)C[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170437 308022875 /nfs/dbraw/zinc/02/28/75/308022875.db2.gz LARMQYOPDLAXQV-PBHICJAKSA-N 2 1 305.422 1.490 20 30 DDEDMP CC[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@H+](C)C[C@@H]1CC ZINC000516280560 338009788 /nfs/dbraw/zinc/00/97/88/338009788.db2.gz BWMJEPMTVAXLSG-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP CC[C@@H]1C[N@@H+](C)CCN1CC#CCN1CC[NH+](C)C[C@@H]1CC ZINC000516280560 338009789 /nfs/dbraw/zinc/00/97/89/338009789.db2.gz BWMJEPMTVAXLSG-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP CC[C@@H]1C[N@H+](C)CCN1CC#CCN1CC[NH+](C)C[C@@H]1CC ZINC000516280560 338009790 /nfs/dbraw/zinc/00/97/90/338009790.db2.gz BWMJEPMTVAXLSG-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOCCC#N)CC1 ZINC000338946254 533739979 /nfs/dbraw/zinc/73/99/79/533739979.db2.gz WJARLUBKPLKGAK-IRXDYDNUSA-N 2 1 308.470 1.407 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC000971703332 695068638 /nfs/dbraw/zinc/06/86/38/695068638.db2.gz DRQWUTKZQCOVMH-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC000971703332 695068643 /nfs/dbraw/zinc/06/86/43/695068643.db2.gz DRQWUTKZQCOVMH-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CCC2)C1 ZINC000971703332 695068646 /nfs/dbraw/zinc/06/86/46/695068646.db2.gz DRQWUTKZQCOVMH-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CCC2)C1 ZINC000971703332 695068651 /nfs/dbraw/zinc/06/86/51/695068651.db2.gz DRQWUTKZQCOVMH-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179728 695169917 /nfs/dbraw/zinc/16/99/17/695169917.db2.gz PXIAXBHHPYSDBN-GDBMZVCRSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179728 695169919 /nfs/dbraw/zinc/16/99/19/695169919.db2.gz PXIAXBHHPYSDBN-GDBMZVCRSA-N 2 1 302.422 1.473 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553110 695280388 /nfs/dbraw/zinc/28/03/88/695280388.db2.gz ZCOVOLHHEORCKJ-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553110 695280390 /nfs/dbraw/zinc/28/03/90/695280390.db2.gz ZCOVOLHHEORCKJ-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553110 695280391 /nfs/dbraw/zinc/28/03/91/695280391.db2.gz ZCOVOLHHEORCKJ-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553110 695280393 /nfs/dbraw/zinc/28/03/93/695280393.db2.gz ZCOVOLHHEORCKJ-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041198 695783099 /nfs/dbraw/zinc/78/30/99/695783099.db2.gz RLCFJHKKIANEJI-RDTXWAMCSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041198 695783100 /nfs/dbraw/zinc/78/31/00/695783100.db2.gz RLCFJHKKIANEJI-RDTXWAMCSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041198 695783101 /nfs/dbraw/zinc/78/31/01/695783101.db2.gz RLCFJHKKIANEJI-RDTXWAMCSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041198 695783103 /nfs/dbraw/zinc/78/31/03/695783103.db2.gz RLCFJHKKIANEJI-RDTXWAMCSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977421406 696154236 /nfs/dbraw/zinc/15/42/36/696154236.db2.gz KCXAZIHXMXKINH-KRWDZBQOSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978368652 696371738 /nfs/dbraw/zinc/37/17/38/696371738.db2.gz NZYVKMHUTFGSDI-XQLPTFJDSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978368652 696371741 /nfs/dbraw/zinc/37/17/41/696371741.db2.gz NZYVKMHUTFGSDI-XQLPTFJDSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978368652 696371743 /nfs/dbraw/zinc/37/17/43/696371743.db2.gz NZYVKMHUTFGSDI-XQLPTFJDSA-N 2 1 311.857 1.517 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981821775 696931402 /nfs/dbraw/zinc/93/14/02/696931402.db2.gz BJNGVAZWJLOYFN-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981821775 696931403 /nfs/dbraw/zinc/93/14/03/696931403.db2.gz BJNGVAZWJLOYFN-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981821775 696931405 /nfs/dbraw/zinc/93/14/05/696931405.db2.gz BJNGVAZWJLOYFN-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000981842322 696939866 /nfs/dbraw/zinc/93/98/66/696939866.db2.gz YUZUVXAWWGKGAJ-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC000981842322 696939868 /nfs/dbraw/zinc/93/98/68/696939868.db2.gz YUZUVXAWWGKGAJ-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC000981842322 696939870 /nfs/dbraw/zinc/93/98/70/696939870.db2.gz YUZUVXAWWGKGAJ-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009129 697001192 /nfs/dbraw/zinc/00/11/92/697001192.db2.gz GSKFICUWJUAIDR-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009129 697001195 /nfs/dbraw/zinc/00/11/95/697001195.db2.gz GSKFICUWJUAIDR-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009129 697001197 /nfs/dbraw/zinc/00/11/97/697001197.db2.gz GSKFICUWJUAIDR-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981231401 697041378 /nfs/dbraw/zinc/04/13/78/697041378.db2.gz RKQSZPVJPJDIAX-CABCVRRESA-N 2 1 316.449 1.965 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000981482798 697107926 /nfs/dbraw/zinc/10/79/26/697107926.db2.gz CEJUOTNRKBLNLN-HNNXBMFYSA-N 2 1 302.422 1.556 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982726313 697173200 /nfs/dbraw/zinc/17/32/00/697173200.db2.gz UITAASKYDVGCSZ-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982726313 697173201 /nfs/dbraw/zinc/17/32/01/697173201.db2.gz UITAASKYDVGCSZ-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982726313 697173202 /nfs/dbraw/zinc/17/32/02/697173202.db2.gz UITAASKYDVGCSZ-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982808877 697181354 /nfs/dbraw/zinc/18/13/54/697181354.db2.gz TZUBNLXVHYRKNY-HDICACEKSA-N 2 1 303.450 1.276 20 30 DDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000170907937 697351758 /nfs/dbraw/zinc/35/17/58/697351758.db2.gz NZHKLCFEKCKNCJ-KRWDZBQOSA-N 2 1 318.465 1.490 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCC[C@H]1C ZINC000303770222 698605872 /nfs/dbraw/zinc/60/58/72/698605872.db2.gz BQZGDSGZSWHUSG-HZPDHXFCSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303770222 698605874 /nfs/dbraw/zinc/60/58/74/698605874.db2.gz BQZGDSGZSWHUSG-HZPDHXFCSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000303770222 698605878 /nfs/dbraw/zinc/60/58/78/698605878.db2.gz BQZGDSGZSWHUSG-HZPDHXFCSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[N@@H+](CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1)C(C)C ZINC000303971448 698611593 /nfs/dbraw/zinc/61/15/93/698611593.db2.gz DSXPCVVIGXWTDJ-UHFFFAOYSA-N 2 1 322.453 1.838 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000781396052 698614765 /nfs/dbraw/zinc/61/47/65/698614765.db2.gz DLRNRLVSALWIJJ-JZXOWHBKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000781396052 698614767 /nfs/dbraw/zinc/61/47/67/698614767.db2.gz DLRNRLVSALWIJJ-JZXOWHBKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781396052 698614768 /nfs/dbraw/zinc/61/47/68/698614768.db2.gz DLRNRLVSALWIJJ-JZXOWHBKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781396052 698614771 /nfs/dbraw/zinc/61/47/71/698614771.db2.gz DLRNRLVSALWIJJ-JZXOWHBKSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989614832 698695808 /nfs/dbraw/zinc/69/58/08/698695808.db2.gz MVTGWWMZAPOCJT-ZFWWWQNUSA-N 2 1 311.389 1.646 20 30 DDEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000819264659 704097312 /nfs/dbraw/zinc/09/73/12/704097312.db2.gz AOFYOIOSMRUXFG-MAUKXSAKSA-N 2 1 317.433 1.682 20 30 DDEDMP C#CCCOC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000859200901 704819604 /nfs/dbraw/zinc/81/96/04/704819604.db2.gz QZPPUYSGEIZNAW-UHFFFAOYSA-N 2 1 307.438 1.638 20 30 DDEDMP C#CCCOC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000859200901 704819608 /nfs/dbraw/zinc/81/96/08/704819608.db2.gz QZPPUYSGEIZNAW-UHFFFAOYSA-N 2 1 307.438 1.638 20 30 DDEDMP C#CC[N@@H+](C)CCCNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000872208844 707329612 /nfs/dbraw/zinc/32/96/12/707329612.db2.gz HOJAGOAAKIUXTI-LJQANCHMSA-N 2 1 315.461 1.168 20 30 DDEDMP C#CC[NH+](C)CCCNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872208844 707329614 /nfs/dbraw/zinc/32/96/14/707329614.db2.gz HOJAGOAAKIUXTI-LJQANCHMSA-N 2 1 315.461 1.168 20 30 DDEDMP C#CC[NH+](C)CCCNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872208844 707329617 /nfs/dbraw/zinc/32/96/17/707329617.db2.gz HOJAGOAAKIUXTI-LJQANCHMSA-N 2 1 315.461 1.168 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000880258524 706922858 /nfs/dbraw/zinc/92/28/58/706922858.db2.gz AHWDLZVCUOBMDB-GOEBONIOSA-N 2 1 300.406 1.379 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000880258524 706922859 /nfs/dbraw/zinc/92/28/59/706922859.db2.gz AHWDLZVCUOBMDB-GOEBONIOSA-N 2 1 300.406 1.379 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000884141739 708157821 /nfs/dbraw/zinc/15/78/21/708157821.db2.gz HIUAEFIZMZYBAW-IKGGRYGDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000884141739 708157824 /nfs/dbraw/zinc/15/78/24/708157824.db2.gz HIUAEFIZMZYBAW-IKGGRYGDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000884141739 708157827 /nfs/dbraw/zinc/15/78/27/708157827.db2.gz HIUAEFIZMZYBAW-IKGGRYGDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000884141739 708157828 /nfs/dbraw/zinc/15/78/28/708157828.db2.gz HIUAEFIZMZYBAW-IKGGRYGDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000884141738 708157849 /nfs/dbraw/zinc/15/78/49/708157849.db2.gz HIUAEFIZMZYBAW-BBWFWOEESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000884141738 708157852 /nfs/dbraw/zinc/15/78/52/708157852.db2.gz HIUAEFIZMZYBAW-BBWFWOEESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000884141738 708157855 /nfs/dbraw/zinc/15/78/55/708157855.db2.gz HIUAEFIZMZYBAW-BBWFWOEESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000884141738 708157857 /nfs/dbraw/zinc/15/78/57/708157857.db2.gz HIUAEFIZMZYBAW-BBWFWOEESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CCN(C(=O)NC[C@H]1CCCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000897567182 708377211 /nfs/dbraw/zinc/37/72/11/708377211.db2.gz GLMAORZWACQAFL-MRXNPFEDSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000887930872 709169076 /nfs/dbraw/zinc/16/90/76/709169076.db2.gz ACXDPQODSYKUDF-QGZVFWFLSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000887930872 709169079 /nfs/dbraw/zinc/16/90/79/709169079.db2.gz ACXDPQODSYKUDF-QGZVFWFLSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CCCCCCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000900645248 709692893 /nfs/dbraw/zinc/69/28/93/709692893.db2.gz YKETUZNVKQTWMQ-UHFFFAOYSA-N 2 1 303.454 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000928101495 713130975 /nfs/dbraw/zinc/13/09/75/713130975.db2.gz YSPOXMVQCCCHNL-CVEARBPZSA-N 2 1 321.490 1.028 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000890367659 709840168 /nfs/dbraw/zinc/84/01/68/709840168.db2.gz QVNYYFLHTHBQDW-ULQDDVLXSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000890367659 709840174 /nfs/dbraw/zinc/84/01/74/709840174.db2.gz QVNYYFLHTHBQDW-ULQDDVLXSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000890367659 709840179 /nfs/dbraw/zinc/84/01/79/709840179.db2.gz QVNYYFLHTHBQDW-ULQDDVLXSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000890367659 709840183 /nfs/dbraw/zinc/84/01/83/709840183.db2.gz QVNYYFLHTHBQDW-ULQDDVLXSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000890368128 709840860 /nfs/dbraw/zinc/84/08/60/709840860.db2.gz CMZGYYRRLCXQIZ-YESZJQIVSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000890368128 709840865 /nfs/dbraw/zinc/84/08/65/709840865.db2.gz CMZGYYRRLCXQIZ-YESZJQIVSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000890368128 709840870 /nfs/dbraw/zinc/84/08/70/709840870.db2.gz CMZGYYRRLCXQIZ-YESZJQIVSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000890368128 709840875 /nfs/dbraw/zinc/84/08/75/709840875.db2.gz CMZGYYRRLCXQIZ-YESZJQIVSA-N 2 1 318.465 1.210 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000901088613 709919402 /nfs/dbraw/zinc/91/94/02/709919402.db2.gz KOTNKOKIRGVDQI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000901088611 709919706 /nfs/dbraw/zinc/91/97/06/709919706.db2.gz KOTNKOKIRGVDQI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)ccc1C#N ZINC000895770966 711601953 /nfs/dbraw/zinc/60/19/53/711601953.db2.gz SYUFWXVRXXRBSG-KBPBESRZSA-N 2 1 300.410 1.185 20 30 DDEDMP C[NH+]1CC[C@H]1CNc1ccc(C#N)c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895770966 711601955 /nfs/dbraw/zinc/60/19/55/711601955.db2.gz SYUFWXVRXXRBSG-KBPBESRZSA-N 2 1 300.410 1.185 20 30 DDEDMP C[NH+]1CC[C@H]1CNc1ccc(C#N)c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895770966 711601957 /nfs/dbraw/zinc/60/19/57/711601957.db2.gz SYUFWXVRXXRBSG-KBPBESRZSA-N 2 1 300.410 1.185 20 30 DDEDMP C#CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1CC[NH+](C)CC1 ZINC000922534024 714080581 /nfs/dbraw/zinc/08/05/81/714080581.db2.gz TUCQUVFWSWOPBR-OAHLLOKOSA-N 2 1 308.470 1.454 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000923424699 714351521 /nfs/dbraw/zinc/35/15/21/714351521.db2.gz AUANNAONMRQINC-MRXNPFEDSA-N 2 1 315.417 1.516 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000923424699 714351523 /nfs/dbraw/zinc/35/15/23/714351523.db2.gz AUANNAONMRQINC-MRXNPFEDSA-N 2 1 315.417 1.516 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490736 714375066 /nfs/dbraw/zinc/37/50/66/714375066.db2.gz OTZKTUYGDDJSCT-WQVCFCJDSA-N 2 1 301.390 1.689 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923490736 714375068 /nfs/dbraw/zinc/37/50/68/714375068.db2.gz OTZKTUYGDDJSCT-WQVCFCJDSA-N 2 1 301.390 1.689 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000964030348 717970826 /nfs/dbraw/zinc/97/08/26/717970826.db2.gz JUSODTVAYDSWLB-UOAXPGHYSA-N 2 1 315.461 1.654 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958117831 716339743 /nfs/dbraw/zinc/33/97/43/716339743.db2.gz WUDPPAACUJXZFH-KGLIPLIRSA-N 2 1 323.462 1.018 20 30 DDEDMP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960178749 716442519 /nfs/dbraw/zinc/44/25/19/716442519.db2.gz ZAURPDYLZYMJPA-LJISPDSOSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000960178749 716442520 /nfs/dbraw/zinc/44/25/20/716442520.db2.gz ZAURPDYLZYMJPA-LJISPDSOSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960178749 716442522 /nfs/dbraw/zinc/44/25/22/716442522.db2.gz ZAURPDYLZYMJPA-LJISPDSOSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960178749 716442525 /nfs/dbraw/zinc/44/25/25/716442525.db2.gz ZAURPDYLZYMJPA-LJISPDSOSA-N 2 1 311.857 1.660 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960271514 716474944 /nfs/dbraw/zinc/47/49/44/716474944.db2.gz XEEMAMQTQWPYTQ-MWDXBVQZSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960271514 716474947 /nfs/dbraw/zinc/47/49/47/716474947.db2.gz XEEMAMQTQWPYTQ-MWDXBVQZSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960271514 716474951 /nfs/dbraw/zinc/47/49/51/716474951.db2.gz XEEMAMQTQWPYTQ-MWDXBVQZSA-N 2 1 303.450 1.034 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC#Cc3ccccc3)C[C@H]21 ZINC000958414564 716538693 /nfs/dbraw/zinc/53/86/93/716538693.db2.gz HDWRYWFAHHBXIA-ZSYWTGECSA-N 2 1 323.440 1.179 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000958414564 716538697 /nfs/dbraw/zinc/53/86/97/716538697.db2.gz HDWRYWFAHHBXIA-ZSYWTGECSA-N 2 1 323.440 1.179 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000958414564 716538700 /nfs/dbraw/zinc/53/87/00/716538700.db2.gz HDWRYWFAHHBXIA-ZSYWTGECSA-N 2 1 323.440 1.179 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961443216 716948698 /nfs/dbraw/zinc/94/86/98/716948698.db2.gz UTAINZDRGSLUHK-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443216 716948700 /nfs/dbraw/zinc/94/87/00/716948700.db2.gz UTAINZDRGSLUHK-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443216 716948702 /nfs/dbraw/zinc/94/87/02/716948702.db2.gz UTAINZDRGSLUHK-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941229473 717134777 /nfs/dbraw/zinc/13/47/77/717134777.db2.gz APJGXDAMGWETCU-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941229473 717134778 /nfs/dbraw/zinc/13/47/78/717134778.db2.gz APJGXDAMGWETCU-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941229473 717134779 /nfs/dbraw/zinc/13/47/79/717134779.db2.gz APJGXDAMGWETCU-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229473 717134780 /nfs/dbraw/zinc/13/47/80/717134780.db2.gz APJGXDAMGWETCU-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229473 717134782 /nfs/dbraw/zinc/13/47/82/717134782.db2.gz APJGXDAMGWETCU-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517752 717714544 /nfs/dbraw/zinc/71/45/44/717714544.db2.gz FUKUBNJUYSZYSM-WMLDXEAASA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779216 718905865 /nfs/dbraw/zinc/90/58/65/718905865.db2.gz JYBMLWVMKKMXPX-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779216 718905867 /nfs/dbraw/zinc/90/58/67/718905867.db2.gz JYBMLWVMKKMXPX-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779216 718905869 /nfs/dbraw/zinc/90/58/69/718905869.db2.gz JYBMLWVMKKMXPX-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779997 718906988 /nfs/dbraw/zinc/90/69/88/718906988.db2.gz XDLYDJRXCHLYIL-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779997 718906989 /nfs/dbraw/zinc/90/69/89/718906989.db2.gz XDLYDJRXCHLYIL-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779997 718906991 /nfs/dbraw/zinc/90/69/91/718906991.db2.gz XDLYDJRXCHLYIL-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947776311 719266626 /nfs/dbraw/zinc/26/66/26/719266626.db2.gz VMQGQYONUYHQGM-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941087 719313868 /nfs/dbraw/zinc/31/38/68/719313868.db2.gz XHJJTBNEDLAPCN-ZIAGYGMSSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941087 719313869 /nfs/dbraw/zinc/31/38/69/719313869.db2.gz XHJJTBNEDLAPCN-ZIAGYGMSSA-N 2 1 302.422 1.916 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C)[C@H](C)C2)CC1 ZINC000948070596 719349835 /nfs/dbraw/zinc/34/98/35/719349835.db2.gz RFMMPFHVIFDFRM-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681672 719733662 /nfs/dbraw/zinc/73/36/62/719733662.db2.gz LHLKMZOCEAFXMM-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681672 719733663 /nfs/dbraw/zinc/73/36/63/719733663.db2.gz LHLKMZOCEAFXMM-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C)CC1 ZINC000968683120 719735213 /nfs/dbraw/zinc/73/52/13/719735213.db2.gz YQAVNYQMCFFFSF-FUHWJXTLSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968920371 719868987 /nfs/dbraw/zinc/86/89/87/719868987.db2.gz SXFSDNXUPWUHIH-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968920371 719868993 /nfs/dbraw/zinc/86/89/93/719868993.db2.gz SXFSDNXUPWUHIH-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968920371 719868998 /nfs/dbraw/zinc/86/89/98/719868998.db2.gz SXFSDNXUPWUHIH-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968920371 719869002 /nfs/dbraw/zinc/86/90/02/719869002.db2.gz SXFSDNXUPWUHIH-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCF)CC1 ZINC000969156017 719980641 /nfs/dbraw/zinc/98/06/41/719980641.db2.gz HQSSQDRZDAPEOV-QGZVFWFLSA-N 2 1 323.456 1.662 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000949458696 720102296 /nfs/dbraw/zinc/10/22/96/720102296.db2.gz OUXKNKUQEKYUGE-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000949458696 720102300 /nfs/dbraw/zinc/10/23/00/720102300.db2.gz OUXKNKUQEKYUGE-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000949474748 720111797 /nfs/dbraw/zinc/11/17/97/720111797.db2.gz LEKYNXIVWQHGEV-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833130 720525629 /nfs/dbraw/zinc/52/56/29/720525629.db2.gz LYVJNPURNHBCKR-YOEHRIQHSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833130 720525630 /nfs/dbraw/zinc/52/56/30/720525630.db2.gz LYVJNPURNHBCKR-YOEHRIQHSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833130 720525633 /nfs/dbraw/zinc/52/56/33/720525633.db2.gz LYVJNPURNHBCKR-YOEHRIQHSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971553830 721353085 /nfs/dbraw/zinc/35/30/85/721353085.db2.gz VJERYULFRVTASX-GJZGRUSLSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000971553830 721353089 /nfs/dbraw/zinc/35/30/89/721353089.db2.gz VJERYULFRVTASX-GJZGRUSLSA-N 2 1 311.857 1.613 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971561849 721355114 /nfs/dbraw/zinc/35/51/14/721355114.db2.gz CEHDSXBFDXFTIW-CABCVRRESA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000971561849 721355117 /nfs/dbraw/zinc/35/51/17/721355117.db2.gz CEHDSXBFDXFTIW-CABCVRRESA-N 2 1 302.422 1.563 20 30 DDEDMP C=CC[NH+]1CCN(c2cc(OC3CC[NH+](C)CC3)ccn2)CC1 ZINC001165035982 721873061 /nfs/dbraw/zinc/87/30/61/721873061.db2.gz YVDOKCFNVCXODP-UHFFFAOYSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027602237 738453773 /nfs/dbraw/zinc/45/37/73/738453773.db2.gz OEQDTQGWRYAVNC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602237 738453774 /nfs/dbraw/zinc/45/37/74/738453774.db2.gz OEQDTQGWRYAVNC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602237 738453775 /nfs/dbraw/zinc/45/37/75/738453775.db2.gz OEQDTQGWRYAVNC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173414 733083708 /nfs/dbraw/zinc/08/37/08/733083708.db2.gz WDWLXXIMNSBWCN-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173414 733083711 /nfs/dbraw/zinc/08/37/11/733083711.db2.gz WDWLXXIMNSBWCN-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173414 733083716 /nfs/dbraw/zinc/08/37/16/733083716.db2.gz WDWLXXIMNSBWCN-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173415 733084016 /nfs/dbraw/zinc/08/40/16/733084016.db2.gz WDWLXXIMNSBWCN-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173415 733084022 /nfs/dbraw/zinc/08/40/22/733084022.db2.gz WDWLXXIMNSBWCN-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173415 733084027 /nfs/dbraw/zinc/08/40/27/733084027.db2.gz WDWLXXIMNSBWCN-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929317 738823911 /nfs/dbraw/zinc/82/39/11/738823911.db2.gz DMRANRFXGKFODK-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929317 738823916 /nfs/dbraw/zinc/82/39/16/738823916.db2.gz DMRANRFXGKFODK-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929317 738823922 /nfs/dbraw/zinc/82/39/22/738823922.db2.gz DMRANRFXGKFODK-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929317 738823928 /nfs/dbraw/zinc/82/39/28/738823928.db2.gz DMRANRFXGKFODK-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930885 738826912 /nfs/dbraw/zinc/82/69/12/738826912.db2.gz WCPPSZSACMPNGS-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027930885 738826916 /nfs/dbraw/zinc/82/69/16/738826916.db2.gz WCPPSZSACMPNGS-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027930538 738828636 /nfs/dbraw/zinc/82/86/36/738828636.db2.gz RAXYMIVJSNQJOX-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027930538 738828637 /nfs/dbraw/zinc/82/86/37/738828637.db2.gz RAXYMIVJSNQJOX-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027930538 738828640 /nfs/dbraw/zinc/82/86/40/738828640.db2.gz RAXYMIVJSNQJOX-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098560853 734599413 /nfs/dbraw/zinc/59/94/13/734599413.db2.gz DZTYEVCIGJOQGV-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560853 734599415 /nfs/dbraw/zinc/59/94/15/734599415.db2.gz DZTYEVCIGJOQGV-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560853 734599421 /nfs/dbraw/zinc/59/94/21/734599421.db2.gz DZTYEVCIGJOQGV-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCC(=C)C ZINC001027944551 738845772 /nfs/dbraw/zinc/84/57/72/738845772.db2.gz ZRTWOTSLTXWDRJ-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001098572456 734896916 /nfs/dbraw/zinc/89/69/16/734896916.db2.gz IWPQTFCGUUOSRA-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001098572456 734896918 /nfs/dbraw/zinc/89/69/18/734896918.db2.gz IWPQTFCGUUOSRA-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001098572456 734896923 /nfs/dbraw/zinc/89/69/23/734896923.db2.gz IWPQTFCGUUOSRA-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024437890 735826771 /nfs/dbraw/zinc/82/67/71/735826771.db2.gz YOMQSAFSRJUBLH-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024437890 735826773 /nfs/dbraw/zinc/82/67/73/735826773.db2.gz YOMQSAFSRJUBLH-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024437890 735826777 /nfs/dbraw/zinc/82/67/77/735826777.db2.gz YOMQSAFSRJUBLH-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683192 736516793 /nfs/dbraw/zinc/51/67/93/736516793.db2.gz IAWLKEUALKEHLC-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026100064 737118412 /nfs/dbraw/zinc/11/84/12/737118412.db2.gz SSURSAHNTZYLAN-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026100064 737118413 /nfs/dbraw/zinc/11/84/13/737118413.db2.gz SSURSAHNTZYLAN-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026100064 737118415 /nfs/dbraw/zinc/11/84/15/737118415.db2.gz SSURSAHNTZYLAN-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001038696634 738099939 /nfs/dbraw/zinc/09/99/39/738099939.db2.gz AEKPRVCGXWEDHU-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038696634 738099945 /nfs/dbraw/zinc/09/99/45/738099945.db2.gz AEKPRVCGXWEDHU-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541619 738389193 /nfs/dbraw/zinc/38/91/93/738389193.db2.gz WDMKPGIDLLIVNS-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541619 738389195 /nfs/dbraw/zinc/38/91/95/738389195.db2.gz WDMKPGIDLLIVNS-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541619 738389197 /nfs/dbraw/zinc/38/91/97/738389197.db2.gz WDMKPGIDLLIVNS-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028625585 739799760 /nfs/dbraw/zinc/79/97/60/739799760.db2.gz VCMCIELCZNWZSR-INIZCTEOSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCC(=C)C)C2)CC1 ZINC001029003258 740248051 /nfs/dbraw/zinc/24/80/51/740248051.db2.gz JTGVAJLYVLPNLS-QGZVFWFLSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001029004436 740249851 /nfs/dbraw/zinc/24/98/51/740249851.db2.gz XLHUZPDCOYPJAX-KRWDZBQOSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087574630 740662011 /nfs/dbraw/zinc/66/20/11/740662011.db2.gz QCIKZNZWGQNMCX-YESZJQIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700395 740712794 /nfs/dbraw/zinc/71/27/94/740712794.db2.gz KZCLCAPFBZKOIF-BBWFWOEESA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700395 740712795 /nfs/dbraw/zinc/71/27/95/740712795.db2.gz KZCLCAPFBZKOIF-BBWFWOEESA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700395 740712796 /nfs/dbraw/zinc/71/27/96/740712796.db2.gz KZCLCAPFBZKOIF-BBWFWOEESA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700395 740712797 /nfs/dbraw/zinc/71/27/97/740712797.db2.gz KZCLCAPFBZKOIF-BBWFWOEESA-N 2 1 321.465 1.088 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001037980579 751622795 /nfs/dbraw/zinc/62/27/95/751622795.db2.gz YWZKRZPYNQUFLD-JKSUJKDBSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001088428021 741486689 /nfs/dbraw/zinc/48/66/89/741486689.db2.gz JIIFLWQOYPVGTO-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001088428021 741486693 /nfs/dbraw/zinc/48/66/93/741486693.db2.gz JIIFLWQOYPVGTO-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075904784 741883037 /nfs/dbraw/zinc/88/30/37/741883037.db2.gz MMJPVHYZLFPLMK-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075904784 741883039 /nfs/dbraw/zinc/88/30/39/741883039.db2.gz MMJPVHYZLFPLMK-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075904784 741883042 /nfs/dbraw/zinc/88/30/42/741883042.db2.gz MMJPVHYZLFPLMK-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC001076095795 742536660 /nfs/dbraw/zinc/53/66/60/742536660.db2.gz NDAATNSKHDLELG-FUHWJXTLSA-N 2 1 320.396 1.652 20 30 DDEDMP C#CCN1C[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC001076095795 742536665 /nfs/dbraw/zinc/53/66/65/742536665.db2.gz NDAATNSKHDLELG-FUHWJXTLSA-N 2 1 320.396 1.652 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161975 742580018 /nfs/dbraw/zinc/58/00/18/742580018.db2.gz XNRPTQVJLBKLLQ-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161975 742580022 /nfs/dbraw/zinc/58/00/22/742580022.db2.gz XNRPTQVJLBKLLQ-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161975 742580029 /nfs/dbraw/zinc/58/00/29/742580029.db2.gz XNRPTQVJLBKLLQ-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181507724 743216392 /nfs/dbraw/zinc/21/63/92/743216392.db2.gz IJFYINVDUNMLJZ-YFHUEUNASA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC)C1 ZINC001181772378 743334545 /nfs/dbraw/zinc/33/45/45/743334545.db2.gz MIRSXBPTZVMNEC-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC)C1 ZINC001181772378 743334549 /nfs/dbraw/zinc/33/45/49/743334549.db2.gz MIRSXBPTZVMNEC-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035733318 751827591 /nfs/dbraw/zinc/82/75/91/751827591.db2.gz YTEKPVNQORHHBV-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182368199 743593771 /nfs/dbraw/zinc/59/37/71/743593771.db2.gz CLRVEANWMOPNMB-VUHPKUFZSA-N 2 1 319.493 1.814 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629304 743675946 /nfs/dbraw/zinc/67/59/46/743675946.db2.gz BYMIPUNNRUPDDG-LZLYRXPVSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183228677 743799637 /nfs/dbraw/zinc/79/96/37/743799637.db2.gz PRCHKIPOPIPRGZ-SJLPKXTDSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035799530 751879267 /nfs/dbraw/zinc/87/92/67/751879267.db2.gz YBIBZIXUAQHTNE-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035795137 751882746 /nfs/dbraw/zinc/88/27/46/751882746.db2.gz QIZISNNRVSZWCN-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184577692 744064298 /nfs/dbraw/zinc/06/42/98/744064298.db2.gz NHHXEYNCYMFZEZ-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184711886 744085540 /nfs/dbraw/zinc/08/55/40/744085540.db2.gz HSDXIOKQGYGKHF-CVEARBPZSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184712223 744085979 /nfs/dbraw/zinc/08/59/79/744085979.db2.gz KWNZJQBEYDVOII-HOTGVXAUSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035799205 751888338 /nfs/dbraw/zinc/88/83/38/751888338.db2.gz WDEFRGBILQKZQF-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168910 744169828 /nfs/dbraw/zinc/16/98/28/744169828.db2.gz KHZCUMQVEOJAOS-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001088952009 744398632 /nfs/dbraw/zinc/39/86/32/744398632.db2.gz SVHLVHHJKMPYSR-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970787 744418693 /nfs/dbraw/zinc/41/86/93/744418693.db2.gz OHHXKGSHHLJCKM-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970787 744418696 /nfs/dbraw/zinc/41/86/96/744418696.db2.gz OHHXKGSHHLJCKM-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970787 744418699 /nfs/dbraw/zinc/41/86/99/744418699.db2.gz OHHXKGSHHLJCKM-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970787 744418702 /nfs/dbraw/zinc/41/87/02/744418702.db2.gz OHHXKGSHHLJCKM-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992365625 744826029 /nfs/dbraw/zinc/82/60/29/744826029.db2.gz CUYTYIPBURBSDO-IEBWSBKVSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992486828 744912083 /nfs/dbraw/zinc/91/20/83/744912083.db2.gz LGNYHHMXMJTHAK-NVXWUHKLSA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992486828 744912085 /nfs/dbraw/zinc/91/20/85/744912085.db2.gz LGNYHHMXMJTHAK-NVXWUHKLSA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801405 745000628 /nfs/dbraw/zinc/00/06/28/745000628.db2.gz FGOVHYSXYIHKDE-IXDOHACOSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190247997 745160375 /nfs/dbraw/zinc/16/03/75/745160375.db2.gz VXLIRUPSDJQKPF-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190247997 745160376 /nfs/dbraw/zinc/16/03/76/745160376.db2.gz VXLIRUPSDJQKPF-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654297 745285488 /nfs/dbraw/zinc/28/54/88/745285488.db2.gz JKUJFSGGEXIANI-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654297 745285492 /nfs/dbraw/zinc/28/54/92/745285492.db2.gz JKUJFSGGEXIANI-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001190743542 745315805 /nfs/dbraw/zinc/31/58/05/745315805.db2.gz LAYTYIVTHOBSBH-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001190743542 745315812 /nfs/dbraw/zinc/31/58/12/745315812.db2.gz LAYTYIVTHOBSBH-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001190743542 745315817 /nfs/dbraw/zinc/31/58/17/745315817.db2.gz LAYTYIVTHOBSBH-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001191283051 745470614 /nfs/dbraw/zinc/47/06/14/745470614.db2.gz DEMWBLAAVYVVLZ-MRXNPFEDSA-N 2 1 323.400 1.437 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946872 745653694 /nfs/dbraw/zinc/65/36/94/745653694.db2.gz FYWZZMLYUOGSHF-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191946872 745653688 /nfs/dbraw/zinc/65/36/88/745653688.db2.gz FYWZZMLYUOGSHF-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191946872 745653690 /nfs/dbraw/zinc/65/36/90/745653690.db2.gz FYWZZMLYUOGSHF-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946872 745653693 /nfs/dbraw/zinc/65/36/93/745653693.db2.gz FYWZZMLYUOGSHF-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866672 745908763 /nfs/dbraw/zinc/90/87/63/745908763.db2.gz MADDOIJJFFNAMV-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866672 745908766 /nfs/dbraw/zinc/90/87/66/745908766.db2.gz MADDOIJJFFNAMV-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194244186 746319309 /nfs/dbraw/zinc/31/93/09/746319309.db2.gz JVRCXJCMWOETDN-RBSFLKMASA-N 2 1 311.470 1.233 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244186 746319313 /nfs/dbraw/zinc/31/93/13/746319313.db2.gz JVRCXJCMWOETDN-RBSFLKMASA-N 2 1 311.470 1.233 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244186 746319321 /nfs/dbraw/zinc/31/93/21/746319321.db2.gz JVRCXJCMWOETDN-RBSFLKMASA-N 2 1 311.470 1.233 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874585 746549290 /nfs/dbraw/zinc/54/92/90/746549290.db2.gz LRRRKYUSNSCBBK-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCF)[C@H]2C)CC1 ZINC000994505272 746698938 /nfs/dbraw/zinc/69/89/38/746698938.db2.gz ZGUSLIVGQBYYSE-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001003003893 746899236 /nfs/dbraw/zinc/89/92/36/746899236.db2.gz IJNXBQLTMWLPJV-HNNXBMFYSA-N 2 1 302.422 1.917 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011662 746904869 /nfs/dbraw/zinc/90/48/69/746904869.db2.gz PQFFFTRMVPXZEF-KRWDZBQOSA-N 2 1 305.466 1.853 20 30 DDEDMP COCC#CC[N@@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197181244 747078362 /nfs/dbraw/zinc/07/83/62/747078362.db2.gz UKKVIRSZNWZXTH-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP COCC#CC[N@H+]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001197181244 747078370 /nfs/dbraw/zinc/07/83/70/747078370.db2.gz UKKVIRSZNWZXTH-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP COCC#CC[NH+]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001197181244 747078375 /nfs/dbraw/zinc/07/83/75/747078375.db2.gz UKKVIRSZNWZXTH-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP COCC#CC[NH+]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001197181244 747078380 /nfs/dbraw/zinc/07/83/80/747078380.db2.gz UKKVIRSZNWZXTH-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197158684 747089874 /nfs/dbraw/zinc/08/98/74/747089874.db2.gz UKIFQERHHCZGOD-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001197158684 747089861 /nfs/dbraw/zinc/08/98/61/747089861.db2.gz UKIFQERHHCZGOD-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001197158684 747089867 /nfs/dbraw/zinc/08/98/67/747089867.db2.gz UKIFQERHHCZGOD-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197831942 747271987 /nfs/dbraw/zinc/27/19/87/747271987.db2.gz FWMBYFJPXXFIAG-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001036120063 752188742 /nfs/dbraw/zinc/18/87/42/752188742.db2.gz ZEMBFUMYNRSHKP-CABCVRRESA-N 2 1 314.433 1.222 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198744300 747588176 /nfs/dbraw/zinc/58/81/76/747588176.db2.gz PKSNMDDARRKQOE-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293562 747788994 /nfs/dbraw/zinc/78/89/94/747788994.db2.gz XLYDXAYPFBOTLZ-BRWVUGGUSA-N 2 1 321.465 1.110 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634599 748298329 /nfs/dbraw/zinc/29/83/29/748298329.db2.gz HCBCUWTTWLTBIY-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1 ZINC001004459745 748451026 /nfs/dbraw/zinc/45/10/26/748451026.db2.gz WKJUXGAYHKFNLM-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001004459745 748451027 /nfs/dbraw/zinc/45/10/27/748451027.db2.gz WKJUXGAYHKFNLM-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC)CC1 ZINC001004459745 748451030 /nfs/dbraw/zinc/45/10/30/748451030.db2.gz WKJUXGAYHKFNLM-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CC)CC1 ZINC001004459745 748451031 /nfs/dbraw/zinc/45/10/31/748451031.db2.gz WKJUXGAYHKFNLM-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201422321 748511116 /nfs/dbraw/zinc/51/11/16/748511116.db2.gz ZLIAINSMPZVZEV-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004548052 748539614 /nfs/dbraw/zinc/53/96/14/748539614.db2.gz PJCVZUBKGAZQGV-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039277105 761905730 /nfs/dbraw/zinc/90/57/30/761905730.db2.gz YQGHBVWDGKQNTE-HQSKLWIPSA-N 2 1 317.477 1.994 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000876838486 749334072 /nfs/dbraw/zinc/33/40/72/749334072.db2.gz KSZHWEDLASILJI-ZIAGYGMSSA-N 2 1 323.824 1.638 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467375 749391722 /nfs/dbraw/zinc/39/17/22/749391722.db2.gz OAACEDSXYOIFNO-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467375 749391728 /nfs/dbraw/zinc/39/17/28/749391728.db2.gz OAACEDSXYOIFNO-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033506266 749428574 /nfs/dbraw/zinc/42/85/74/749428574.db2.gz XVZPHBIOFOQZIK-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996378416 749543980 /nfs/dbraw/zinc/54/39/80/749543980.db2.gz GQKIGSGOLVYZRL-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442712 749963324 /nfs/dbraw/zinc/96/33/24/749963324.db2.gz LTOUNYVGOXCVAD-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442712 749963329 /nfs/dbraw/zinc/96/33/29/749963329.db2.gz LTOUNYVGOXCVAD-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442712 749963335 /nfs/dbraw/zinc/96/33/35/749963335.db2.gz LTOUNYVGOXCVAD-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473429 750007149 /nfs/dbraw/zinc/00/71/49/750007149.db2.gz USOMJLMEGFCPCA-SJLPKXTDSA-N 2 1 314.433 1.576 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107473429 750007153 /nfs/dbraw/zinc/00/71/53/750007153.db2.gz USOMJLMEGFCPCA-SJLPKXTDSA-N 2 1 314.433 1.576 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095533798 750019723 /nfs/dbraw/zinc/01/97/23/750019723.db2.gz OAGLYIYVHNJYBW-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033879917 750042926 /nfs/dbraw/zinc/04/29/26/750042926.db2.gz HUWQBTIUJBXHTM-GJZGRUSLSA-N 2 1 302.422 1.554 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001095611684 750078869 /nfs/dbraw/zinc/07/88/69/750078869.db2.gz WTQVSGFKYRMLGO-RBGFHDKUSA-N 2 1 307.438 1.003 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001095611684 750078875 /nfs/dbraw/zinc/07/88/75/750078875.db2.gz WTQVSGFKYRMLGO-RBGFHDKUSA-N 2 1 307.438 1.003 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611684 750078880 /nfs/dbraw/zinc/07/88/80/750078880.db2.gz WTQVSGFKYRMLGO-RBGFHDKUSA-N 2 1 307.438 1.003 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611684 750078883 /nfs/dbraw/zinc/07/88/83/750078883.db2.gz WTQVSGFKYRMLGO-RBGFHDKUSA-N 2 1 307.438 1.003 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005502392 750360338 /nfs/dbraw/zinc/36/03/38/750360338.db2.gz DSXRYRALDFOWDI-GOSISDBHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150702 750392191 /nfs/dbraw/zinc/39/21/91/750392191.db2.gz RXNRIXNZOKNOJQ-ZACQAIPSSA-N 2 1 314.433 1.717 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001111150702 750392195 /nfs/dbraw/zinc/39/21/95/750392195.db2.gz RXNRIXNZOKNOJQ-ZACQAIPSSA-N 2 1 314.433 1.717 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005586849 750671281 /nfs/dbraw/zinc/67/12/81/750671281.db2.gz ZFDOAYGQGRFUFT-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001032446334 750848880 /nfs/dbraw/zinc/84/88/80/750848880.db2.gz ZICCXPFMBPENLV-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001032446334 750848889 /nfs/dbraw/zinc/84/88/89/750848889.db2.gz ZICCXPFMBPENLV-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001032446334 750848894 /nfs/dbraw/zinc/84/88/94/750848894.db2.gz ZICCXPFMBPENLV-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001032446334 750848904 /nfs/dbraw/zinc/84/89/04/750848904.db2.gz ZICCXPFMBPENLV-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001032446334 750848910 /nfs/dbraw/zinc/84/89/10/750848910.db2.gz ZICCXPFMBPENLV-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163423 750917454 /nfs/dbraw/zinc/91/74/54/750917454.db2.gz IJTCZPAHFDEWDE-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163423 750917456 /nfs/dbraw/zinc/91/74/56/750917456.db2.gz IJTCZPAHFDEWDE-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=C)C)CC1 ZINC000997624041 751164305 /nfs/dbraw/zinc/16/43/05/751164305.db2.gz KJLHVAKLYIRMIG-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(=C)C)CC1 ZINC000997624041 751164308 /nfs/dbraw/zinc/16/43/08/751164308.db2.gz KJLHVAKLYIRMIG-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186835 751287527 /nfs/dbraw/zinc/28/75/27/751287527.db2.gz KZTZOWTYUAUXLM-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001035186835 751287531 /nfs/dbraw/zinc/28/75/31/751287531.db2.gz KZTZOWTYUAUXLM-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186835 751287534 /nfs/dbraw/zinc/28/75/34/751287534.db2.gz KZTZOWTYUAUXLM-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC=C)C2)CC1 ZINC001035195131 751294847 /nfs/dbraw/zinc/29/48/47/751294847.db2.gz NWBXNHBHUNJYEN-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC=C)C2)CC1 ZINC001035195131 751294850 /nfs/dbraw/zinc/29/48/50/751294850.db2.gz NWBXNHBHUNJYEN-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC=C)C2)CC1 ZINC001035195131 751294852 /nfs/dbraw/zinc/29/48/52/751294852.db2.gz NWBXNHBHUNJYEN-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC=C)C2)CC1 ZINC001035195131 751294855 /nfs/dbraw/zinc/29/48/55/751294855.db2.gz NWBXNHBHUNJYEN-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035246472 751328030 /nfs/dbraw/zinc/32/80/30/751328030.db2.gz MLRISSMXWBSYQV-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035246472 751328038 /nfs/dbraw/zinc/32/80/38/751328038.db2.gz MLRISSMXWBSYQV-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035246472 751328042 /nfs/dbraw/zinc/32/80/42/751328042.db2.gz MLRISSMXWBSYQV-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997870154 751330295 /nfs/dbraw/zinc/33/02/95/751330295.db2.gz GWJUNZCCMUIWDB-HOCLYGCPSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997870154 751330299 /nfs/dbraw/zinc/33/02/99/751330299.db2.gz GWJUNZCCMUIWDB-HOCLYGCPSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000999208459 752655841 /nfs/dbraw/zinc/65/58/41/752655841.db2.gz KVDLGICFPNPWTG-BBRMVZONSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999208459 752655845 /nfs/dbraw/zinc/65/58/45/752655845.db2.gz KVDLGICFPNPWTG-BBRMVZONSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999208459 752655850 /nfs/dbraw/zinc/65/58/50/752655850.db2.gz KVDLGICFPNPWTG-BBRMVZONSA-N 2 1 315.421 1.004 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999212220 752659904 /nfs/dbraw/zinc/65/99/04/752659904.db2.gz XOYSMMJCBPCUOV-BBRMVZONSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999212220 752659908 /nfs/dbraw/zinc/65/99/08/752659908.db2.gz XOYSMMJCBPCUOV-BBRMVZONSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705778 752765549 /nfs/dbraw/zinc/76/55/49/752765549.db2.gz JSCKASYOOQUPAH-HOTGVXAUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008536063 752788384 /nfs/dbraw/zinc/78/83/84/752788384.db2.gz WDJGVORQLUQRNE-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008536063 752788389 /nfs/dbraw/zinc/78/83/89/752788389.db2.gz WDJGVORQLUQRNE-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001010370405 753824313 /nfs/dbraw/zinc/82/43/13/753824313.db2.gz WLXOFPDNAAJJME-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001010370405 753824318 /nfs/dbraw/zinc/82/43/18/753824318.db2.gz WLXOFPDNAAJJME-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001010370405 753824326 /nfs/dbraw/zinc/82/43/26/753824326.db2.gz WLXOFPDNAAJJME-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001010370405 753824330 /nfs/dbraw/zinc/82/43/30/753824330.db2.gz WLXOFPDNAAJJME-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001000841060 762253275 /nfs/dbraw/zinc/25/32/75/762253275.db2.gz KFSZFRIHIFDOQO-UHFFFAOYSA-N 2 1 301.434 1.244 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078812180 754417726 /nfs/dbraw/zinc/41/77/26/754417726.db2.gz GPIKVOVTWHHCQF-LSDHHAIUSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001765987 754500620 /nfs/dbraw/zinc/50/06/20/754500620.db2.gz UMAVAIGSFANSPB-INIZCTEOSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000903083 762322731 /nfs/dbraw/zinc/32/27/31/762322731.db2.gz IGZPIZJGFJEFJG-UHFFFAOYSA-N 2 1 303.450 1.939 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144891 755748834 /nfs/dbraw/zinc/74/88/34/755748834.db2.gz YLAANEAETLDJNK-GDBMZVCRSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144891 755748837 /nfs/dbraw/zinc/74/88/37/755748837.db2.gz YLAANEAETLDJNK-GDBMZVCRSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015602726 756405003 /nfs/dbraw/zinc/40/50/03/756405003.db2.gz HDSRMYCFAJUFDU-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015602726 756405004 /nfs/dbraw/zinc/40/50/04/756405004.db2.gz HDSRMYCFAJUFDU-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015602726 756405006 /nfs/dbraw/zinc/40/50/06/756405006.db2.gz HDSRMYCFAJUFDU-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)CN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200175 756673751 /nfs/dbraw/zinc/67/37/51/756673751.db2.gz UVSYHZLRTYYYQL-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200175 756673755 /nfs/dbraw/zinc/67/37/55/756673755.db2.gz UVSYHZLRTYYYQL-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200175 756673761 /nfs/dbraw/zinc/67/37/61/756673761.db2.gz UVSYHZLRTYYYQL-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200175 756673770 /nfs/dbraw/zinc/67/37/70/756673770.db2.gz UVSYHZLRTYYYQL-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015970904 756687681 /nfs/dbraw/zinc/68/76/81/756687681.db2.gz VSQVIFDGZHCMTI-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001082743337 756909842 /nfs/dbraw/zinc/90/98/42/756909842.db2.gz UQZJDHSNXBDLCZ-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C1 ZINC001083183332 757191936 /nfs/dbraw/zinc/19/19/36/757191936.db2.gz ZLXGWXQHZQUWNS-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016826983 757387506 /nfs/dbraw/zinc/38/75/06/757387506.db2.gz UJEBVBNDGHPTTO-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016861673 757415808 /nfs/dbraw/zinc/41/58/08/757415808.db2.gz PAICJWDYVPBEBT-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338134 757499123 /nfs/dbraw/zinc/49/91/23/757499123.db2.gz GPVYDZXSWXNKII-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338134 757499130 /nfs/dbraw/zinc/49/91/30/757499130.db2.gz GPVYDZXSWXNKII-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338134 757499134 /nfs/dbraw/zinc/49/91/34/757499134.db2.gz GPVYDZXSWXNKII-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442767 757600849 /nfs/dbraw/zinc/60/08/49/757600849.db2.gz PQJAIVOLKWQBBY-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545331 757655639 /nfs/dbraw/zinc/65/56/39/757655639.db2.gz FPFZOZMNELRVQT-KURKYZTESA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545331 757655644 /nfs/dbraw/zinc/65/56/44/757655644.db2.gz FPFZOZMNELRVQT-KURKYZTESA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766393 757744387 /nfs/dbraw/zinc/74/43/87/757744387.db2.gz BRZIEOFPIFEWQG-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947814 757995252 /nfs/dbraw/zinc/99/52/52/757995252.db2.gz UTYGRACEIIJCAB-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947814 757995260 /nfs/dbraw/zinc/99/52/60/757995260.db2.gz UTYGRACEIIJCAB-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947814 757995262 /nfs/dbraw/zinc/99/52/62/757995262.db2.gz UTYGRACEIIJCAB-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947814 757995270 /nfs/dbraw/zinc/99/52/70/757995270.db2.gz UTYGRACEIIJCAB-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133909 758568822 /nfs/dbraw/zinc/56/88/22/758568822.db2.gz CLBLSISCORYOMP-HDICACEKSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001053582162 758593869 /nfs/dbraw/zinc/59/38/69/758593869.db2.gz ALPNKHJQRCSUIH-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746550 762669876 /nfs/dbraw/zinc/66/98/76/762669876.db2.gz CRLKVWWCDVDAAO-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053982469 759021666 /nfs/dbraw/zinc/02/16/66/759021666.db2.gz KFPWXXXRECLVKT-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001053982469 759021679 /nfs/dbraw/zinc/02/16/79/759021679.db2.gz KFPWXXXRECLVKT-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)CO2 ZINC001054017277 759066839 /nfs/dbraw/zinc/06/68/39/759066839.db2.gz UYZHOXQAMLZGJO-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)CO2 ZINC001054017277 759066847 /nfs/dbraw/zinc/06/68/47/759066847.db2.gz UYZHOXQAMLZGJO-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001054147118 759226392 /nfs/dbraw/zinc/22/63/92/759226392.db2.gz KNDSDXVKKVJLKC-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001054147118 759226396 /nfs/dbraw/zinc/22/63/96/759226396.db2.gz KNDSDXVKKVJLKC-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC)C2)C1 ZINC001054147118 759226401 /nfs/dbraw/zinc/22/64/01/759226401.db2.gz KNDSDXVKKVJLKC-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC)C2)C1 ZINC001054147118 759226404 /nfs/dbraw/zinc/22/64/04/759226404.db2.gz KNDSDXVKKVJLKC-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054240056 759329843 /nfs/dbraw/zinc/32/98/43/759329843.db2.gz LCAAAEMCAPIOAN-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240056 759329851 /nfs/dbraw/zinc/32/98/51/759329851.db2.gz LCAAAEMCAPIOAN-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240056 759329857 /nfs/dbraw/zinc/32/98/57/759329857.db2.gz LCAAAEMCAPIOAN-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001085423883 759345676 /nfs/dbraw/zinc/34/56/76/759345676.db2.gz KWTUJTXIJNORHD-ZIAGYGMSSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001019279558 759756459 /nfs/dbraw/zinc/75/64/59/759756459.db2.gz HTOIWJWFYMCRQD-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782279 760218684 /nfs/dbraw/zinc/21/86/84/760218684.db2.gz QHQXTBJSKSDBTP-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085782279 760218689 /nfs/dbraw/zinc/21/86/89/760218689.db2.gz QHQXTBJSKSDBTP-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085782279 760218695 /nfs/dbraw/zinc/21/86/95/760218695.db2.gz QHQXTBJSKSDBTP-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=C)C)CC1 ZINC001085986398 760657149 /nfs/dbraw/zinc/65/71/49/760657149.db2.gz CHLZYRDBHPDBME-QGZVFWFLSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020250947 760722350 /nfs/dbraw/zinc/72/23/50/760722350.db2.gz XQOMRTXZTCXBJS-ULQDDVLXSA-N 2 1 317.477 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001020250947 760722356 /nfs/dbraw/zinc/72/23/56/760722356.db2.gz XQOMRTXZTCXBJS-ULQDDVLXSA-N 2 1 317.477 1.757 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086107173 760992981 /nfs/dbraw/zinc/99/29/81/760992981.db2.gz MZNZJTLQWMKZPT-ZNMIVQPWSA-N 2 1 302.422 1.821 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100072579 761506070 /nfs/dbraw/zinc/50/60/70/761506070.db2.gz XROZVPKKCLJOPU-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100072579 761506080 /nfs/dbraw/zinc/50/60/80/761506080.db2.gz XROZVPKKCLJOPU-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086387440 761526638 /nfs/dbraw/zinc/52/66/38/761526638.db2.gz DQDRKYHLSZCTEN-IHRRRGAJSA-N 2 1 322.840 1.997 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001405771 762833222 /nfs/dbraw/zinc/83/32/22/762833222.db2.gz UKZVEXAAQAEOQZ-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001001467448 762890179 /nfs/dbraw/zinc/89/01/79/762890179.db2.gz LVZOPOWWKYUSSQ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001001479400 762901861 /nfs/dbraw/zinc/90/18/61/762901861.db2.gz MRPVMVCUMFEFOR-MRXNPFEDSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041349315 762973309 /nfs/dbraw/zinc/97/33/09/762973309.db2.gz MVEJWMWVHZLKLX-PKOBYXMFSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349315 762973317 /nfs/dbraw/zinc/97/33/17/762973317.db2.gz MVEJWMWVHZLKLX-PKOBYXMFSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349315 762973330 /nfs/dbraw/zinc/97/33/30/762973330.db2.gz MVEJWMWVHZLKLX-PKOBYXMFSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041368949 762983944 /nfs/dbraw/zinc/98/39/44/762983944.db2.gz SZAGFOQZHJBSEE-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041368949 762983946 /nfs/dbraw/zinc/98/39/46/762983946.db2.gz SZAGFOQZHJBSEE-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041368949 762983947 /nfs/dbraw/zinc/98/39/47/762983947.db2.gz SZAGFOQZHJBSEE-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001041368949 762983949 /nfs/dbraw/zinc/98/39/49/762983949.db2.gz SZAGFOQZHJBSEE-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041598790 763167727 /nfs/dbraw/zinc/16/77/27/763167727.db2.gz CPPMKJQBKBMINO-BQFCYCMXSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598790 763167734 /nfs/dbraw/zinc/16/77/34/763167734.db2.gz CPPMKJQBKBMINO-BQFCYCMXSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041598790 763167742 /nfs/dbraw/zinc/16/77/42/763167742.db2.gz CPPMKJQBKBMINO-BQFCYCMXSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644090 763196466 /nfs/dbraw/zinc/19/64/66/763196466.db2.gz ATPXMXJVRBJDKN-AEFFLSMTSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050206492 763320938 /nfs/dbraw/zinc/32/09/38/763320938.db2.gz JDZDXZSGWNRFSG-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050206492 763320945 /nfs/dbraw/zinc/32/09/45/763320945.db2.gz JDZDXZSGWNRFSG-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206492 763320953 /nfs/dbraw/zinc/32/09/53/763320953.db2.gz JDZDXZSGWNRFSG-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206492 763320962 /nfs/dbraw/zinc/32/09/62/763320962.db2.gz JDZDXZSGWNRFSG-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041789035 763333304 /nfs/dbraw/zinc/33/33/04/763333304.db2.gz MPVBLHLISSHNDS-KRWDZBQOSA-N 2 1 301.434 1.030 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046954115 768148586 /nfs/dbraw/zinc/14/85/86/768148586.db2.gz QDWBMIZNKQUEEM-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046954115 768148590 /nfs/dbraw/zinc/14/85/90/768148590.db2.gz QDWBMIZNKQUEEM-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046954115 768148596 /nfs/dbraw/zinc/14/85/96/768148596.db2.gz QDWBMIZNKQUEEM-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042094124 763642445 /nfs/dbraw/zinc/64/24/45/763642445.db2.gz CTZJMMRAZBEAOM-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042094124 763642451 /nfs/dbraw/zinc/64/24/51/763642451.db2.gz CTZJMMRAZBEAOM-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042094124 763642455 /nfs/dbraw/zinc/64/24/55/763642455.db2.gz CTZJMMRAZBEAOM-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042158517 763723578 /nfs/dbraw/zinc/72/35/78/763723578.db2.gz YNZBKJWCFXMRPM-YOEHRIQHSA-N 2 1 308.385 1.504 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270975 763846370 /nfs/dbraw/zinc/84/63/70/763846370.db2.gz VGNSBEWLBOALCM-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042270975 763846377 /nfs/dbraw/zinc/84/63/77/763846377.db2.gz VGNSBEWLBOALCM-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042287210 763863235 /nfs/dbraw/zinc/86/32/35/763863235.db2.gz HFGDTYWYACGTGP-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccnc1)C2 ZINC001109772435 764022528 /nfs/dbraw/zinc/02/25/28/764022528.db2.gz MLVTYLGUVHPMCJ-WCVJEAGWSA-N 2 1 300.406 1.579 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@H](C)O2 ZINC001131678344 768269178 /nfs/dbraw/zinc/26/91/78/768269178.db2.gz XNMZDHHWUNYYGS-YJBOKZPZSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001113254771 765490775 /nfs/dbraw/zinc/49/07/75/765490775.db2.gz NBZHPJJIIUPLME-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001113254771 765490778 /nfs/dbraw/zinc/49/07/78/765490778.db2.gz NBZHPJJIIUPLME-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001044866850 765861297 /nfs/dbraw/zinc/86/12/97/765861297.db2.gz XVBPKDBGWNSSFH-TZMCWYRMSA-N 2 1 310.829 1.913 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515189 765908336 /nfs/dbraw/zinc/90/83/36/765908336.db2.gz AYWVWPRHATVUAJ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515189 765908343 /nfs/dbraw/zinc/90/83/43/765908343.db2.gz AYWVWPRHATVUAJ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515189 765908351 /nfs/dbraw/zinc/90/83/51/765908351.db2.gz AYWVWPRHATVUAJ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951502 766733513 /nfs/dbraw/zinc/73/35/13/766733513.db2.gz FYQXWXDVISVANX-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951502 766733516 /nfs/dbraw/zinc/73/35/16/766733516.db2.gz FYQXWXDVISVANX-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(F)c1 ZINC001129770456 766998385 /nfs/dbraw/zinc/99/83/85/766998385.db2.gz GJDMSWFSBAXRIU-INIZCTEOSA-N 2 1 321.371 1.268 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(F)c1 ZINC001129770456 766998390 /nfs/dbraw/zinc/99/83/90/766998390.db2.gz GJDMSWFSBAXRIU-INIZCTEOSA-N 2 1 321.371 1.268 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1Cl ZINC001129770127 766998651 /nfs/dbraw/zinc/99/86/51/766998651.db2.gz BKBOYTGMZMQCIA-INIZCTEOSA-N 2 1 319.836 1.643 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1Cl ZINC001129770127 766998657 /nfs/dbraw/zinc/99/86/57/766998657.db2.gz BKBOYTGMZMQCIA-INIZCTEOSA-N 2 1 319.836 1.643 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001046329927 767428612 /nfs/dbraw/zinc/42/86/12/767428612.db2.gz CTNNGKFKRHCHOJ-WBVHZDCISA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCN1CC[C@](C)(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001046329927 767428614 /nfs/dbraw/zinc/42/86/14/767428614.db2.gz CTNNGKFKRHCHOJ-WBVHZDCISA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561622 767690461 /nfs/dbraw/zinc/69/04/61/767690461.db2.gz INXFMGDNVVEXAE-FUHWJXTLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561622 767690465 /nfs/dbraw/zinc/69/04/65/767690465.db2.gz INXFMGDNVVEXAE-FUHWJXTLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561622 767690469 /nfs/dbraw/zinc/69/04/69/767690469.db2.gz INXFMGDNVVEXAE-FUHWJXTLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577443 767705731 /nfs/dbraw/zinc/70/57/31/767705731.db2.gz XQDHEOFURNTRIA-CRAIPNDOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577443 767705738 /nfs/dbraw/zinc/70/57/38/767705738.db2.gz XQDHEOFURNTRIA-CRAIPNDOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517786 768930677 /nfs/dbraw/zinc/93/06/77/768930677.db2.gz GQSXQHGDWJQRHN-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048862941 770007324 /nfs/dbraw/zinc/00/73/24/770007324.db2.gz BQKBMWLHRSMUEA-QLFBSQMISA-N 2 1 300.406 1.337 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048862941 770007337 /nfs/dbraw/zinc/00/73/37/770007337.db2.gz BQKBMWLHRSMUEA-QLFBSQMISA-N 2 1 300.406 1.337 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055773 770299589 /nfs/dbraw/zinc/29/95/89/770299589.db2.gz JDJMYPOGGSNMSQ-IYBDPMFKSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055773 770299597 /nfs/dbraw/zinc/29/95/97/770299597.db2.gz JDJMYPOGGSNMSQ-IYBDPMFKSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055773 770299608 /nfs/dbraw/zinc/29/96/08/770299608.db2.gz JDJMYPOGGSNMSQ-IYBDPMFKSA-N 2 1 303.450 1.132 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001133869650 770391611 /nfs/dbraw/zinc/39/16/11/770391611.db2.gz IDPXNEXACHTZFN-WFASDCNBSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCF)C2)CC1 ZINC001072099670 770541636 /nfs/dbraw/zinc/54/16/36/770541636.db2.gz VKSMOGJJGCNVRQ-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234424 770581107 /nfs/dbraw/zinc/58/11/07/770581107.db2.gz GFGDEZQXIWYEDJ-KSZLIROESA-N 2 1 311.429 1.313 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234424 770581112 /nfs/dbraw/zinc/58/11/12/770581112.db2.gz GFGDEZQXIWYEDJ-KSZLIROESA-N 2 1 311.429 1.313 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478924 770907360 /nfs/dbraw/zinc/90/73/60/770907360.db2.gz VLULJXVLYMQBKY-FGTMMUONSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049480538 770911473 /nfs/dbraw/zinc/91/14/73/770911473.db2.gz FUUXBGDSSMMOPD-QBPKDAKJSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049480538 770911479 /nfs/dbraw/zinc/91/14/79/770911479.db2.gz FUUXBGDSSMMOPD-QBPKDAKJSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049480538 770911486 /nfs/dbraw/zinc/91/14/86/770911486.db2.gz FUUXBGDSSMMOPD-QBPKDAKJSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049483628 770914338 /nfs/dbraw/zinc/91/43/38/770914338.db2.gz BAACMUZFYGHXBW-VQHPVUNQSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049483628 770914345 /nfs/dbraw/zinc/91/43/45/770914345.db2.gz BAACMUZFYGHXBW-VQHPVUNQSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049483628 770914349 /nfs/dbraw/zinc/91/43/49/770914349.db2.gz BAACMUZFYGHXBW-VQHPVUNQSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523541 770973411 /nfs/dbraw/zinc/97/34/11/770973411.db2.gz ZIGHGASKZHJTHV-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049523541 770973420 /nfs/dbraw/zinc/97/34/20/770973420.db2.gz ZIGHGASKZHJTHV-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049523541 770973426 /nfs/dbraw/zinc/97/34/26/770973426.db2.gz ZIGHGASKZHJTHV-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049526226 770977957 /nfs/dbraw/zinc/97/79/57/770977957.db2.gz URGJUGWNESEPFO-OAGGEKHMSA-N 2 1 312.417 1.459 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049526226 770977964 /nfs/dbraw/zinc/97/79/64/770977964.db2.gz URGJUGWNESEPFO-OAGGEKHMSA-N 2 1 312.417 1.459 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049670752 771069242 /nfs/dbraw/zinc/06/92/42/771069242.db2.gz GPONDJCEPBFSIY-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670752 771069243 /nfs/dbraw/zinc/06/92/43/771069243.db2.gz GPONDJCEPBFSIY-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670752 771069250 /nfs/dbraw/zinc/06/92/50/771069250.db2.gz GPONDJCEPBFSIY-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847124 771204443 /nfs/dbraw/zinc/20/44/43/771204443.db2.gz ROGFQNXMOBFFLS-LSDHHAIUSA-N 2 1 323.868 1.900 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847124 771204445 /nfs/dbraw/zinc/20/44/45/771204445.db2.gz ROGFQNXMOBFFLS-LSDHHAIUSA-N 2 1 323.868 1.900 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847406 771204473 /nfs/dbraw/zinc/20/44/73/771204473.db2.gz WPTRLIVQGMTNAO-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049902648 771246426 /nfs/dbraw/zinc/24/64/26/771246426.db2.gz UQLNGHQUJVCBOE-HOTGVXAUSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049902648 771246430 /nfs/dbraw/zinc/24/64/30/771246430.db2.gz UQLNGHQUJVCBOE-HOTGVXAUSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091684412 773383401 /nfs/dbraw/zinc/38/34/01/773383401.db2.gz FHCVFDNLLNHULA-HPFXQQBRSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091684412 773383409 /nfs/dbraw/zinc/38/34/09/773383409.db2.gz FHCVFDNLLNHULA-HPFXQQBRSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091684412 773383414 /nfs/dbraw/zinc/38/34/14/773383414.db2.gz FHCVFDNLLNHULA-HPFXQQBRSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001148226790 773403725 /nfs/dbraw/zinc/40/37/25/773403725.db2.gz SLXOTZSZXCCYRH-MRXNPFEDSA-N 2 1 323.481 1.310 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091787742 773805443 /nfs/dbraw/zinc/80/54/43/773805443.db2.gz LTCSGFRNVMNENQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787742 773805448 /nfs/dbraw/zinc/80/54/48/773805448.db2.gz LTCSGFRNVMNENQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787742 773805454 /nfs/dbraw/zinc/80/54/54/773805454.db2.gz LTCSGFRNVMNENQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857472 773840750 /nfs/dbraw/zinc/84/07/50/773840750.db2.gz JREIZFZUQXCHIB-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091857472 773840754 /nfs/dbraw/zinc/84/07/54/773840754.db2.gz JREIZFZUQXCHIB-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676603 774214993 /nfs/dbraw/zinc/21/49/93/774214993.db2.gz FOBRUBIURQTSJH-JFIYKMOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676603 774214998 /nfs/dbraw/zinc/21/49/98/774214998.db2.gz FOBRUBIURQTSJH-JFIYKMOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676603 774215001 /nfs/dbraw/zinc/21/50/01/774215001.db2.gz FOBRUBIURQTSJH-JFIYKMOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036736483 774430669 /nfs/dbraw/zinc/43/06/69/774430669.db2.gz AHRCRZRFYQEKRR-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036736483 774430673 /nfs/dbraw/zinc/43/06/73/774430673.db2.gz AHRCRZRFYQEKRR-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036736483 774430677 /nfs/dbraw/zinc/43/06/77/774430677.db2.gz AHRCRZRFYQEKRR-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773919 774568517 /nfs/dbraw/zinc/56/85/17/774568517.db2.gz VYIIZEHOTAOFQR-CRAIPNDOSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062290 774803640 /nfs/dbraw/zinc/80/36/40/774803640.db2.gz XCHDMKDZQTVKKB-WMZOPIPTSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107185 774837095 /nfs/dbraw/zinc/83/70/95/774837095.db2.gz WYDGJXNAMWSZSG-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467327 774866519 /nfs/dbraw/zinc/86/65/19/774866519.db2.gz FKYRXWYPEJNGEX-NCOADZHNSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467327 774866528 /nfs/dbraw/zinc/86/65/28/774866528.db2.gz FKYRXWYPEJNGEX-NCOADZHNSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036871274 775009451 /nfs/dbraw/zinc/00/94/51/775009451.db2.gz JHDPPGYFGLGNPG-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554468 775027924 /nfs/dbraw/zinc/02/79/24/775027924.db2.gz ZIZJMGFVZBPVIU-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554468 775027932 /nfs/dbraw/zinc/02/79/32/775027932.db2.gz ZIZJMGFVZBPVIU-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554468 775027941 /nfs/dbraw/zinc/02/79/41/775027941.db2.gz ZIZJMGFVZBPVIU-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](O)C1 ZINC001099930541 775236238 /nfs/dbraw/zinc/23/62/38/775236238.db2.gz HVIWRLPGEZABNA-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501743 776320994 /nfs/dbraw/zinc/32/09/94/776320994.db2.gz VWOPREUTPNYHML-ARFHVFGLSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501743 776321003 /nfs/dbraw/zinc/32/10/03/776321003.db2.gz VWOPREUTPNYHML-ARFHVFGLSA-N 2 1 311.470 1.546 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825885 776467061 /nfs/dbraw/zinc/46/70/61/776467061.db2.gz JKGBWLYHURGLFX-HNNXBMFYSA-N 2 1 316.449 1.660 20 30 DDEDMP C[C@@H](CCCC#N)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001172497326 776802578 /nfs/dbraw/zinc/80/25/78/776802578.db2.gz AZUMYJWKBOKKTK-AWEZNQCLSA-N 2 1 317.437 1.593 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H]3C[NH3+])CC2)cc1 ZINC001173425608 777184087 /nfs/dbraw/zinc/18/40/87/777184087.db2.gz FGFODUPDOGXFSG-KRWDZBQOSA-N 2 1 312.417 1.586 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H]3C[NH3+])CC2)cc1 ZINC001173425608 777184091 /nfs/dbraw/zinc/18/40/91/777184091.db2.gz FGFODUPDOGXFSG-KRWDZBQOSA-N 2 1 312.417 1.586 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190188 777922759 /nfs/dbraw/zinc/92/27/59/777922759.db2.gz VVGSFLHPOJATDA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190188 777922764 /nfs/dbraw/zinc/92/27/64/777922764.db2.gz VVGSFLHPOJATDA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC001102190188 777922768 /nfs/dbraw/zinc/92/27/68/777922768.db2.gz VVGSFLHPOJATDA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514388 778179984 /nfs/dbraw/zinc/17/99/84/778179984.db2.gz VYOBOOZCILFWSZ-BPLDGKMQSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514388 778179987 /nfs/dbraw/zinc/17/99/87/778179987.db2.gz VYOBOOZCILFWSZ-BPLDGKMQSA-N 2 1 313.873 1.765 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513574 778180156 /nfs/dbraw/zinc/18/01/56/778180156.db2.gz QYRPFDOBSOLELU-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177125022 778438049 /nfs/dbraw/zinc/43/80/49/778438049.db2.gz MKTXQEXMNUGESD-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177125022 778438052 /nfs/dbraw/zinc/43/80/52/778438052.db2.gz MKTXQEXMNUGESD-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177125022 778438053 /nfs/dbraw/zinc/43/80/53/778438053.db2.gz MKTXQEXMNUGESD-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177125022 778438056 /nfs/dbraw/zinc/43/80/56/778438056.db2.gz MKTXQEXMNUGESD-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177089960 778442617 /nfs/dbraw/zinc/44/26/17/778442617.db2.gz XNSQOMNAQJDEAO-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177089960 778442621 /nfs/dbraw/zinc/44/26/21/778442621.db2.gz XNSQOMNAQJDEAO-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344849 778548412 /nfs/dbraw/zinc/54/84/12/778548412.db2.gz YTCHHSAFXYZIRJ-UHFFFAOYSA-N 2 1 309.841 1.967 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344849 778548413 /nfs/dbraw/zinc/54/84/13/778548413.db2.gz YTCHHSAFXYZIRJ-UHFFFAOYSA-N 2 1 309.841 1.967 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103049906 778597813 /nfs/dbraw/zinc/59/78/13/778597813.db2.gz KJPKJEJGAIOUQN-OAGGEKHMSA-N 2 1 313.461 1.927 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001103099505 778638138 /nfs/dbraw/zinc/63/81/38/778638138.db2.gz OFKREWWHHIZDCN-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001103099505 778638140 /nfs/dbraw/zinc/63/81/40/778638140.db2.gz OFKREWWHHIZDCN-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCF)C[C@H]1C ZINC001103099505 778638141 /nfs/dbraw/zinc/63/81/41/778638141.db2.gz OFKREWWHHIZDCN-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCF)C[C@H]1C ZINC001103099505 778638144 /nfs/dbraw/zinc/63/81/44/778638144.db2.gz OFKREWWHHIZDCN-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185792 778698041 /nfs/dbraw/zinc/69/80/41/778698041.db2.gz QKHLWBLBKIGUFW-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359048 778814296 /nfs/dbraw/zinc/81/42/96/778814296.db2.gz FWURDCNZUTWPDX-KURKYZTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359048 778814302 /nfs/dbraw/zinc/81/43/02/778814302.db2.gz FWURDCNZUTWPDX-KURKYZTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001103359048 778814307 /nfs/dbraw/zinc/81/43/07/778814307.db2.gz FWURDCNZUTWPDX-KURKYZTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757241 779033244 /nfs/dbraw/zinc/03/32/44/779033244.db2.gz SKQSJLWTQLKCOL-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004251 779594488 /nfs/dbraw/zinc/59/44/88/779594488.db2.gz ROAKOFOUOYVZHZ-WMZOPIPTSA-N 2 1 303.450 1.466 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001112429344 779774965 /nfs/dbraw/zinc/77/49/65/779774965.db2.gz WURBCEOOPQBEDE-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](CCC)CCC ZINC001115111405 779881287 /nfs/dbraw/zinc/88/12/87/779881287.db2.gz PIGQEXLKYGIOAM-DZFIZOCASA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579182 780248010 /nfs/dbraw/zinc/24/80/10/780248010.db2.gz AMPPRAFUHPKQDK-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730941 780380558 /nfs/dbraw/zinc/38/05/58/780380558.db2.gz VMAIXFKZUFREEL-CVEARBPZSA-N 2 1 305.466 1.616 20 30 DDEDMP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)CC[NH+](C)C ZINC001266571418 836483205 /nfs/dbraw/zinc/48/32/05/836483205.db2.gz SVDUPQQSOOXPTM-UHFFFAOYSA-N 2 1 315.461 1.818 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001279228609 836818447 /nfs/dbraw/zinc/81/84/47/836818447.db2.gz ASVHANAPNFHVRD-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001279228609 836818462 /nfs/dbraw/zinc/81/84/62/836818462.db2.gz ASVHANAPNFHVRD-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001279228609 836818469 /nfs/dbraw/zinc/81/84/69/836818469.db2.gz ASVHANAPNFHVRD-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267110747 837368969 /nfs/dbraw/zinc/36/89/69/837368969.db2.gz BCOGDXSUFYGQAW-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267110747 837368973 /nfs/dbraw/zinc/36/89/73/837368973.db2.gz BCOGDXSUFYGQAW-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267583301 838363255 /nfs/dbraw/zinc/36/32/55/838363255.db2.gz LMRRTLBTYQDCOV-HNNXBMFYSA-N 2 1 319.453 1.073 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001268035059 839506731 /nfs/dbraw/zinc/50/67/31/839506731.db2.gz FVEBXGIBGUNYAL-MRXNPFEDSA-N 2 1 305.466 1.903 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268717144 840707854 /nfs/dbraw/zinc/70/78/54/840707854.db2.gz SEMSWMYHWYSPEM-INIZCTEOSA-N 2 1 301.434 1.473 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001272111251 844621333 /nfs/dbraw/zinc/62/13/33/844621333.db2.gz OYTNKGUJOQSZNF-KRWDZBQOSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001272111251 844621335 /nfs/dbraw/zinc/62/13/35/844621335.db2.gz OYTNKGUJOQSZNF-KRWDZBQOSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001272111251 844621338 /nfs/dbraw/zinc/62/13/38/844621338.db2.gz OYTNKGUJOQSZNF-KRWDZBQOSA-N 2 1 311.445 1.612 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001269287476 841471866 /nfs/dbraw/zinc/47/18/66/841471866.db2.gz KBCAMVVUHOSQPI-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001269552642 841756741 /nfs/dbraw/zinc/75/67/41/841756741.db2.gz GKWZURSNRYCGSD-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001269766998 842027496 /nfs/dbraw/zinc/02/74/96/842027496.db2.gz ZGXDZVAMEUKCND-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCC)CC1 ZINC001270326227 842490740 /nfs/dbraw/zinc/49/07/40/842490740.db2.gz UFCQUNXYTLZXOI-UHFFFAOYSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001270599496 842707307 /nfs/dbraw/zinc/70/73/07/842707307.db2.gz HTKQOJUYNLHTEB-QAPCUYQASA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001271575939 843704581 /nfs/dbraw/zinc/70/45/81/843704581.db2.gz KVGCJKNCUKCLAG-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888500 861540860 /nfs/dbraw/zinc/54/08/60/861540860.db2.gz QATJTMKCZOAYFW-CQSZACIVSA-N 2 1 305.422 1.805 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364077 848415739 /nfs/dbraw/zinc/41/57/39/848415739.db2.gz PZYJGKLYPBKEBQ-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364077 848415744 /nfs/dbraw/zinc/41/57/44/848415744.db2.gz PZYJGKLYPBKEBQ-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364077 848415752 /nfs/dbraw/zinc/41/57/52/848415752.db2.gz PZYJGKLYPBKEBQ-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364077 848415756 /nfs/dbraw/zinc/41/57/56/848415756.db2.gz PZYJGKLYPBKEBQ-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001273428881 850244474 /nfs/dbraw/zinc/24/44/74/850244474.db2.gz RKEMRHRQDCWFHI-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001273428881 850244482 /nfs/dbraw/zinc/24/44/82/850244482.db2.gz RKEMRHRQDCWFHI-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001273428881 850244491 /nfs/dbraw/zinc/24/44/91/850244491.db2.gz RKEMRHRQDCWFHI-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001273591269 851124295 /nfs/dbraw/zinc/12/42/95/851124295.db2.gz KYFMJZGQVAKSLG-QGZVFWFLSA-N 2 1 307.482 1.910 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150488817 862268429 /nfs/dbraw/zinc/26/84/29/862268429.db2.gz NLVUCFXVUWKUOP-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccsc1 ZINC001274731849 852558878 /nfs/dbraw/zinc/55/88/78/852558878.db2.gz JWQDKDISQGBJQX-HOCLYGCPSA-N 2 1 319.474 1.830 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccsc1 ZINC001274731849 852558883 /nfs/dbraw/zinc/55/88/83/852558883.db2.gz JWQDKDISQGBJQX-HOCLYGCPSA-N 2 1 319.474 1.830 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001274955693 852715875 /nfs/dbraw/zinc/71/58/75/852715875.db2.gz PPKDXCWNMQWGDZ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001274955693 852715881 /nfs/dbraw/zinc/71/58/81/852715881.db2.gz PPKDXCWNMQWGDZ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274955693 852715884 /nfs/dbraw/zinc/71/58/84/852715884.db2.gz PPKDXCWNMQWGDZ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001275184202 852873442 /nfs/dbraw/zinc/87/34/42/852873442.db2.gz MJDLGJGKCRAWPB-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761378 862456681 /nfs/dbraw/zinc/45/66/81/862456681.db2.gz NEHAHYZRNQVUQY-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccc4C#N)CC3)[C@H]2C1 ZINC001275965520 854029765 /nfs/dbraw/zinc/02/97/65/854029765.db2.gz IHUQQRKWYRDIAN-IRXDYDNUSA-N 2 1 324.428 1.200 20 30 DDEDMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccccc4C#N)CC3)[C@H]2C1 ZINC001275965520 854029774 /nfs/dbraw/zinc/02/97/74/854029774.db2.gz IHUQQRKWYRDIAN-IRXDYDNUSA-N 2 1 324.428 1.200 20 30 DDEDMP C[NH+](C)C1(CNc2ccc3[nH]c(C#N)cc3n2)CC[NH+](C)CC1 ZINC001156185134 862789567 /nfs/dbraw/zinc/78/95/67/862789567.db2.gz OAFSGBVDKIIXKU-UHFFFAOYSA-N 2 1 312.421 1.872 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001072858923 857810876 /nfs/dbraw/zinc/81/08/76/857810876.db2.gz NXHXFPNADIAGOG-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001072858923 857810886 /nfs/dbraw/zinc/81/08/86/857810886.db2.gz NXHXFPNADIAGOG-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001072858923 857810891 /nfs/dbraw/zinc/81/08/91/857810891.db2.gz NXHXFPNADIAGOG-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC001072870274 857824779 /nfs/dbraw/zinc/82/47/79/857824779.db2.gz DDPKEQGWCLOIES-HNNXBMFYSA-N 2 1 314.433 1.556 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001072982026 857965234 /nfs/dbraw/zinc/96/52/34/857965234.db2.gz XTEVRCWCFZUSJE-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001072982026 857965237 /nfs/dbraw/zinc/96/52/37/857965237.db2.gz XTEVRCWCFZUSJE-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001072982026 857965242 /nfs/dbraw/zinc/96/52/42/857965242.db2.gz XTEVRCWCFZUSJE-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001072982026 857965247 /nfs/dbraw/zinc/96/52/47/857965247.db2.gz XTEVRCWCFZUSJE-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073099678 858100020 /nfs/dbraw/zinc/10/00/20/858100020.db2.gz GCFIEVVZXQYHGN-UHFFFAOYSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001122186513 858707849 /nfs/dbraw/zinc/70/78/49/858707849.db2.gz SMKJXDZGIWKJSG-UHFFFAOYSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCF)CC1 ZINC001157092526 863569529 /nfs/dbraw/zinc/56/95/29/863569529.db2.gz ZODSEAUUXQAMLA-OAHLLOKOSA-N 2 1 311.445 1.518 20 30 DDEDMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001329550249 863724730 /nfs/dbraw/zinc/72/47/30/863724730.db2.gz RLYRHLWLLYEWDJ-NXHRZFHOSA-N 2 1 315.461 1.954 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466779 864373515 /nfs/dbraw/zinc/37/35/15/864373515.db2.gz KIWMHJIIQSOXCU-BBWFWOEESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466779 864373533 /nfs/dbraw/zinc/37/35/33/864373533.db2.gz KIWMHJIIQSOXCU-BBWFWOEESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466779 864373549 /nfs/dbraw/zinc/37/35/49/864373549.db2.gz KIWMHJIIQSOXCU-BBWFWOEESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097440 864425588 /nfs/dbraw/zinc/42/55/88/864425588.db2.gz CMXWSUDFGFOIFS-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227196 864501118 /nfs/dbraw/zinc/50/11/18/864501118.db2.gz FFIOVXPHORDPBI-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001158227196 864501132 /nfs/dbraw/zinc/50/11/32/864501132.db2.gz FFIOVXPHORDPBI-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158853495 864936444 /nfs/dbraw/zinc/93/64/44/864936444.db2.gz XNVNCZFBEDDTLW-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001158914940 864975019 /nfs/dbraw/zinc/97/50/19/864975019.db2.gz WMUSBIGXYQELED-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160379581 865804575 /nfs/dbraw/zinc/80/45/75/865804575.db2.gz JPMDICPDQQUMJI-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379581 865804590 /nfs/dbraw/zinc/80/45/90/865804590.db2.gz JPMDICPDQQUMJI-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160379581 865804602 /nfs/dbraw/zinc/80/46/02/865804602.db2.gz JPMDICPDQQUMJI-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001332960030 866291079 /nfs/dbraw/zinc/29/10/79/866291079.db2.gz KJHNUFXEANISPM-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001161220063 866449527 /nfs/dbraw/zinc/44/95/27/866449527.db2.gz SEARSKSXCBLRGR-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220063 866449530 /nfs/dbraw/zinc/44/95/30/866449530.db2.gz SEARSKSXCBLRGR-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001161220063 866449533 /nfs/dbraw/zinc/44/95/33/866449533.db2.gz SEARSKSXCBLRGR-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001320115113 866485252 /nfs/dbraw/zinc/48/52/52/866485252.db2.gz OBUKGDXOMLNOOH-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001161504814 866721629 /nfs/dbraw/zinc/72/16/29/866721629.db2.gz SQKGFOYOKFXPQJ-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP C=C(Br)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001320821235 867057925 /nfs/dbraw/zinc/05/79/25/867057925.db2.gz ZQEUUQWWNAVUNX-GFCCVEGCSA-N 2 1 318.259 1.427 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC[NH+](CCF)CC1 ZINC001324386956 867250372 /nfs/dbraw/zinc/25/03/72/867250372.db2.gz OCINNXXXZHMKAM-QGZVFWFLSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CCF)CC1 ZINC001324386956 867250381 /nfs/dbraw/zinc/25/03/81/867250381.db2.gz OCINNXXXZHMKAM-QGZVFWFLSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001324894094 867610952 /nfs/dbraw/zinc/61/09/52/867610952.db2.gz ZSGSNJLHFYFQIV-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC=C(Cl)Cl ZINC001321876492 867846852 /nfs/dbraw/zinc/84/68/52/867846852.db2.gz TUBLDFGSUMUBLD-RYUDHWBXSA-N 2 1 318.248 1.497 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC=C(Cl)Cl ZINC001321876492 867846874 /nfs/dbraw/zinc/84/68/74/867846874.db2.gz TUBLDFGSUMUBLD-RYUDHWBXSA-N 2 1 318.248 1.497 20 30 DDEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001280850783 882162047 /nfs/dbraw/zinc/16/20/47/882162047.db2.gz UBWACXZGRJDMGM-KRWDZBQOSA-N 2 1 307.482 1.912 20 30 DDEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001280850783 882162050 /nfs/dbraw/zinc/16/20/50/882162050.db2.gz UBWACXZGRJDMGM-KRWDZBQOSA-N 2 1 307.482 1.912 20 30 DDEDMP CC#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001280850783 882162057 /nfs/dbraw/zinc/16/20/57/882162057.db2.gz UBWACXZGRJDMGM-KRWDZBQOSA-N 2 1 307.482 1.912 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001165502196 869620081 /nfs/dbraw/zinc/62/00/81/869620081.db2.gz XZNORBBTDDOYTL-UHFFFAOYSA-N 2 1 323.481 1.549 20 30 DDEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001317028934 870136631 /nfs/dbraw/zinc/13/66/31/870136631.db2.gz NGRDBRXLRSHIHC-MAUKXSAKSA-N 2 1 323.456 1.707 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001317033075 870141336 /nfs/dbraw/zinc/14/13/36/870141336.db2.gz FDJUEKHPYUNCCK-HOTGVXAUSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001317033075 870141346 /nfs/dbraw/zinc/14/13/46/870141346.db2.gz FDJUEKHPYUNCCK-HOTGVXAUSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317142967 870354344 /nfs/dbraw/zinc/35/43/44/870354344.db2.gz IBPOQYHEIQCSCG-MRXNPFEDSA-N 2 1 321.465 1.113 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317355540 870694915 /nfs/dbraw/zinc/69/49/15/870694915.db2.gz CZEOXDWGOPARCJ-IRXDYDNUSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001317427522 870811894 /nfs/dbraw/zinc/81/18/94/870811894.db2.gz MNRCEEBGDGLBKU-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001317427522 870811907 /nfs/dbraw/zinc/81/19/07/870811907.db2.gz MNRCEEBGDGLBKU-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001317555903 871068022 /nfs/dbraw/zinc/06/80/22/871068022.db2.gz YVWJLQORQFTYCQ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+](CCC)C1)C1CC1 ZINC001317555903 871068034 /nfs/dbraw/zinc/06/80/34/871068034.db2.gz YVWJLQORQFTYCQ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+](CCC)C1)C1CC1 ZINC001317555903 871068049 /nfs/dbraw/zinc/06/80/49/871068049.db2.gz YVWJLQORQFTYCQ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001317589316 871153615 /nfs/dbraw/zinc/15/36/15/871153615.db2.gz PHMAKTLEXSSCDW-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC001311554858 871706599 /nfs/dbraw/zinc/70/65/99/871706599.db2.gz PJUDAFSFLGMPCF-UHFFFAOYSA-N 2 1 316.449 1.373 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC=C)C1 ZINC001317149112 871965068 /nfs/dbraw/zinc/96/50/68/871965068.db2.gz HBXKHEPBDRUQFT-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC=C)C1 ZINC001317149112 871965092 /nfs/dbraw/zinc/96/50/92/871965092.db2.gz HBXKHEPBDRUQFT-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC001317148930 871966011 /nfs/dbraw/zinc/96/60/11/871966011.db2.gz GCNCLVMROFRISK-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1 ZINC001317148930 871966018 /nfs/dbraw/zinc/96/60/18/871966018.db2.gz GCNCLVMROFRISK-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001318927756 872349829 /nfs/dbraw/zinc/34/98/29/872349829.db2.gz DIVVBMFVVZARLY-UHFFFAOYSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC ZINC001226853274 882688640 /nfs/dbraw/zinc/68/86/40/882688640.db2.gz HNGBSNIMBVIWNW-ZACQAIPSSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCC ZINC001226853274 882688647 /nfs/dbraw/zinc/68/86/47/882688647.db2.gz HNGBSNIMBVIWNW-ZACQAIPSSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734102 873514057 /nfs/dbraw/zinc/51/40/57/873514057.db2.gz COSICOIBMCFWPC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734102 873514059 /nfs/dbraw/zinc/51/40/59/873514059.db2.gz COSICOIBMCFWPC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208357706 874055165 /nfs/dbraw/zinc/05/51/65/874055165.db2.gz ACRDOPXMEGNGQY-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001227090872 882825856 /nfs/dbraw/zinc/82/58/56/882825856.db2.gz HMGYQVAZOUPVJU-BRWVUGGUSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC001276622974 874717570 /nfs/dbraw/zinc/71/75/70/874717570.db2.gz CDNYKSVTUQXNSX-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC001276622974 874717574 /nfs/dbraw/zinc/71/75/74/874717574.db2.gz CDNYKSVTUQXNSX-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC001276622974 874717583 /nfs/dbraw/zinc/71/75/83/874717583.db2.gz CDNYKSVTUQXNSX-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC001276622974 874717590 /nfs/dbraw/zinc/71/75/90/874717590.db2.gz CDNYKSVTUQXNSX-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001378751333 875547279 /nfs/dbraw/zinc/54/72/79/875547279.db2.gz IETCBXFPLCNZJP-YOEHRIQHSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366388 875773570 /nfs/dbraw/zinc/77/35/70/875773570.db2.gz AMPOGQNXMCWFGK-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366388 875773580 /nfs/dbraw/zinc/77/35/80/875773580.db2.gz AMPOGQNXMCWFGK-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211443788 875810503 /nfs/dbraw/zinc/81/05/03/875810503.db2.gz IFKWAFOJTBUXTB-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780184 876464180 /nfs/dbraw/zinc/46/41/80/876464180.db2.gz ONSVVJCTVWFAAF-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155808 876590524 /nfs/dbraw/zinc/59/05/24/876590524.db2.gz KZBNVZOQXRUBCS-IJEWVQPXSA-N 2 1 304.438 1.983 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216506719 876962354 /nfs/dbraw/zinc/96/23/54/876962354.db2.gz NTWZULQQKCWGIH-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC001353314833 877248515 /nfs/dbraw/zinc/24/85/15/877248515.db2.gz IMMXPDFCOCSZNC-IBGZPJMESA-N 2 1 316.445 1.641 20 30 DDEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218211357 877420329 /nfs/dbraw/zinc/42/03/29/877420329.db2.gz WWYDLTPJYAOAOZ-SFHVURJKSA-N 3 1 301.434 1.907 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074030 878690464 /nfs/dbraw/zinc/69/04/64/878690464.db2.gz UPNUJJPOIZFESA-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074030 878690475 /nfs/dbraw/zinc/69/04/75/878690475.db2.gz UPNUJJPOIZFESA-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220074030 878690487 /nfs/dbraw/zinc/69/04/87/878690487.db2.gz UPNUJJPOIZFESA-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC(NC[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001356618742 879134155 /nfs/dbraw/zinc/13/41/55/879134155.db2.gz LINFKGJRESGGHY-IBGZPJMESA-N 2 1 315.461 1.167 20 30 DDEDMP C#CC[NH+]1CCC(NC[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001356618742 879134161 /nfs/dbraw/zinc/13/41/61/879134161.db2.gz LINFKGJRESGGHY-IBGZPJMESA-N 2 1 315.461 1.167 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616349 879972804 /nfs/dbraw/zinc/97/28/04/879972804.db2.gz LAMQYMHFVBGCBZ-BRWVUGGUSA-N 2 1 321.465 1.062 20 30 DDEDMP C#CCC[NH+](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001277428755 884216342 /nfs/dbraw/zinc/21/63/42/884216342.db2.gz DIJNAVRYXMPPLV-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001277428755 884216357 /nfs/dbraw/zinc/21/63/57/884216357.db2.gz DIJNAVRYXMPPLV-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001277428755 884216372 /nfs/dbraw/zinc/21/63/72/884216372.db2.gz DIJNAVRYXMPPLV-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)o1 ZINC001363311744 885986585 /nfs/dbraw/zinc/98/65/85/885986585.db2.gz LWGSPWZUXREESU-UHFFFAOYSA-N 2 1 303.406 1.964 20 30 DDEDMP C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001235003634 888325227 /nfs/dbraw/zinc/32/52/27/888325227.db2.gz FYHXUJUNQBODRB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001235003634 888325240 /nfs/dbraw/zinc/32/52/40/888325240.db2.gz FYHXUJUNQBODRB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001235003634 888325256 /nfs/dbraw/zinc/32/52/56/888325256.db2.gz FYHXUJUNQBODRB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001235003634 888325264 /nfs/dbraw/zinc/32/52/64/888325264.db2.gz FYHXUJUNQBODRB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001235003634 888325282 /nfs/dbraw/zinc/32/52/82/888325282.db2.gz FYHXUJUNQBODRB-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)c1ccccc1 ZINC001245998283 892316732 /nfs/dbraw/zinc/31/67/32/892316732.db2.gz FXKFYWLNWPOOQI-HOTGVXAUSA-N 2 1 306.406 1.536 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246302207 892527256 /nfs/dbraw/zinc/52/72/56/892527256.db2.gz BRSXQQVXTNYVBC-HNNXBMFYSA-N 3 1 309.454 1.335 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001366177334 892659715 /nfs/dbraw/zinc/65/97/15/892659715.db2.gz GVRMVHRTXSCQMH-ZFWWWQNUSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366177334 892659722 /nfs/dbraw/zinc/65/97/22/892659722.db2.gz GVRMVHRTXSCQMH-ZFWWWQNUSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001366177334 892659731 /nfs/dbraw/zinc/65/97/31/892659731.db2.gz GVRMVHRTXSCQMH-ZFWWWQNUSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001366177334 892659742 /nfs/dbraw/zinc/65/97/42/892659742.db2.gz GVRMVHRTXSCQMH-ZFWWWQNUSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CCN(CC=C)CC[NH+]1CCN([C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246949869 893014641 /nfs/dbraw/zinc/01/46/41/893014641.db2.gz RBQUJIDTKVTEMC-ROUUACIJSA-N 2 1 306.498 1.419 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001366308002 893113882 /nfs/dbraw/zinc/11/38/82/893113882.db2.gz DXKYKAQYNNTTQT-CZUORRHYSA-N 2 1 300.406 1.247 20 30 DDEDMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001278563223 894253179 /nfs/dbraw/zinc/25/31/79/894253179.db2.gz WSXQXUHOWSUOAH-GOSISDBHSA-N 2 1 323.481 1.503 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001278650712 895036303 /nfs/dbraw/zinc/03/63/03/895036303.db2.gz HYMNNUJNPUNMPM-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001366851912 895133102 /nfs/dbraw/zinc/13/31/02/895133102.db2.gz LCMNNTBWYKSVIE-KGLIPLIRSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001252483354 895202827 /nfs/dbraw/zinc/20/28/27/895202827.db2.gz TXZVJZJTKLPAAN-MSOLQXFVSA-N 2 1 304.434 1.662 20 30 DDEDMP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001278691073 895600833 /nfs/dbraw/zinc/60/08/33/895600833.db2.gz WUMZTOMCSQSZLL-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC001253609875 895928878 /nfs/dbraw/zinc/92/88/78/895928878.db2.gz ZZEXYBUNRPDTSQ-KRWDZBQOSA-N 2 1 304.434 1.839 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001367788519 897793027 /nfs/dbraw/zinc/79/30/27/897793027.db2.gz OJIMPHLWPUSSOH-YOEHRIQHSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367788519 897793032 /nfs/dbraw/zinc/79/30/32/897793032.db2.gz OJIMPHLWPUSSOH-YOEHRIQHSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367788519 897793038 /nfs/dbraw/zinc/79/30/38/897793038.db2.gz OJIMPHLWPUSSOH-YOEHRIQHSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001390719852 900012670 /nfs/dbraw/zinc/01/26/70/900012670.db2.gz QUEAEEMSGYFFAU-OLZOCXBDSA-N 2 1 320.462 1.556 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC ZINC001265673469 902284606 /nfs/dbraw/zinc/28/46/06/902284606.db2.gz GHKVCXHHEKXYFE-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC ZINC001265673469 902284615 /nfs/dbraw/zinc/28/46/15/902284615.db2.gz GHKVCXHHEKXYFE-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266015794 902759505 /nfs/dbraw/zinc/75/95/05/902759505.db2.gz LJDCFVWFIWYCKP-PBHICJAKSA-N 2 1 309.429 1.270 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266207200 903109406 /nfs/dbraw/zinc/10/94/06/903109406.db2.gz IXSHVPIUWPHAIZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266207200 903109413 /nfs/dbraw/zinc/10/94/13/903109413.db2.gz IXSHVPIUWPHAIZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266207200 903109422 /nfs/dbraw/zinc/10/94/22/903109422.db2.gz IXSHVPIUWPHAIZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266207200 903109430 /nfs/dbraw/zinc/10/94/30/903109430.db2.gz IXSHVPIUWPHAIZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001279300629 903213292 /nfs/dbraw/zinc/21/32/92/903213292.db2.gz BQAFXCYPSKNUAI-UHFFFAOYSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001392226555 903589832 /nfs/dbraw/zinc/58/98/32/903589832.db2.gz AFKHCUJVYMXVKY-AWEZNQCLSA-N 2 1 301.862 1.954 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001280408679 903643755 /nfs/dbraw/zinc/64/37/55/903643755.db2.gz HBMZXJFJPVYZFP-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001280408679 903643765 /nfs/dbraw/zinc/64/37/65/903643765.db2.gz HBMZXJFJPVYZFP-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001280408679 903643774 /nfs/dbraw/zinc/64/37/74/903643774.db2.gz HBMZXJFJPVYZFP-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001280408679 903643782 /nfs/dbraw/zinc/64/37/82/903643782.db2.gz HBMZXJFJPVYZFP-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001281681908 905156920 /nfs/dbraw/zinc/15/69/20/905156920.db2.gz CCHYQCAHLAKVBC-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001282957273 906329157 /nfs/dbraw/zinc/32/91/57/906329157.db2.gz GFCOMRLGAHLAPV-GVDBMIGSSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001283344228 907182627 /nfs/dbraw/zinc/18/26/27/907182627.db2.gz OEKWXUJJNLCERN-HOTGVXAUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001284657869 909309017 /nfs/dbraw/zinc/30/90/17/909309017.db2.gz MKXIHKHLELRFAC-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCOC ZINC001284657869 909309032 /nfs/dbraw/zinc/30/90/32/909309032.db2.gz MKXIHKHLELRFAC-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCOC ZINC001284657869 909309044 /nfs/dbraw/zinc/30/90/44/909309044.db2.gz MKXIHKHLELRFAC-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001316638694 910392725 /nfs/dbraw/zinc/39/27/25/910392725.db2.gz ZCWZDSCKJRNZBG-QAETUUGQSA-N 2 1 303.450 1.511 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001377455192 921972223 /nfs/dbraw/zinc/97/22/23/921972223.db2.gz QFVLDOSMNXWBOH-OAHLLOKOSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000113513047 353977725 /nfs/dbraw/zinc/97/77/25/353977725.db2.gz KCJZURCKGAYAEL-IRXDYDNUSA-N 2 1 317.433 1.376 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000113513047 353977727 /nfs/dbraw/zinc/97/77/27/353977727.db2.gz KCJZURCKGAYAEL-IRXDYDNUSA-N 2 1 317.433 1.376 20 30 DDEDMP Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942796 357392540 /nfs/dbraw/zinc/39/25/40/357392540.db2.gz PAJQQXCEURTDHZ-HNNXBMFYSA-N 2 1 316.449 1.869 20 30 DDEDMP Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942796 357392547 /nfs/dbraw/zinc/39/25/47/357392547.db2.gz PAJQQXCEURTDHZ-HNNXBMFYSA-N 2 1 316.449 1.869 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600719685 358294678 /nfs/dbraw/zinc/29/46/78/358294678.db2.gz FAMRUIYUPADTNZ-QGZVFWFLSA-N 2 1 321.465 1.688 20 30 DDEDMP CN1CC[NH+](CC2CC[NH+](Cc3cccc(C#N)n3)CC2)CC1 ZINC000602656789 359105537 /nfs/dbraw/zinc/10/55/37/359105537.db2.gz NPMOCTOVJDJJJA-UHFFFAOYSA-N 2 1 313.449 1.413 20 30 DDEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1ccccc1 ZINC000275210494 212197581 /nfs/dbraw/zinc/19/75/81/212197581.db2.gz HSIOFOZBNUZKFC-UHFFFAOYSA-N 2 1 315.461 1.881 20 30 DDEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1ccccc1 ZINC000275210494 212197584 /nfs/dbraw/zinc/19/75/84/212197584.db2.gz HSIOFOZBNUZKFC-UHFFFAOYSA-N 2 1 315.461 1.881 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000085403232 407099882 /nfs/dbraw/zinc/09/98/82/407099882.db2.gz DUOOKSOKFSMEQM-HOCLYGCPSA-N 2 1 308.470 1.618 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1Cl ZINC000104152929 407348609 /nfs/dbraw/zinc/34/86/09/407348609.db2.gz APGGJEFAGVXMKW-UHFFFAOYSA-N 2 1 310.829 1.467 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000152609146 407659911 /nfs/dbraw/zinc/65/99/11/407659911.db2.gz KBGLLROTCJCTQJ-AWEZNQCLSA-N 2 1 312.483 1.118 20 30 DDEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCSCC#N)C2)CC1 ZINC000136065473 408071749 /nfs/dbraw/zinc/07/17/49/408071749.db2.gz VQXLJVXBZCAZIM-MRXNPFEDSA-N 2 1 310.511 1.735 20 30 DDEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCSCC#N)C2)CC1 ZINC000136065473 408071754 /nfs/dbraw/zinc/07/17/54/408071754.db2.gz VQXLJVXBZCAZIM-MRXNPFEDSA-N 2 1 310.511 1.735 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000182737425 408237073 /nfs/dbraw/zinc/23/70/73/408237073.db2.gz IBGVANJSTLPLJK-WBVHZDCISA-N 2 1 320.481 1.763 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc2ccccc2[nH]1 ZINC000264132023 408375787 /nfs/dbraw/zinc/37/57/87/408375787.db2.gz UGNXMCZUGNTFMP-CYBMUJFWSA-N 2 1 314.437 1.494 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc(SC)s1 ZINC000275496591 408589005 /nfs/dbraw/zinc/58/90/05/408589005.db2.gz BOKKHWXXIMKWGI-VIFPVBQESA-N 2 1 314.484 1.149 20 30 DDEDMP C#CCOc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000265316047 408610346 /nfs/dbraw/zinc/61/03/46/408610346.db2.gz REDVWZJZVQMMHX-UHFFFAOYSA-N 2 1 302.418 1.635 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ncccc2C#N)CC1 ZINC000162866019 408741172 /nfs/dbraw/zinc/74/11/72/408741172.db2.gz VFUNMQUZYXVJCB-QGZVFWFLSA-N 2 1 313.449 1.950 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ncccc2C#N)CC1 ZINC000162866019 408741177 /nfs/dbraw/zinc/74/11/77/408741177.db2.gz VFUNMQUZYXVJCB-QGZVFWFLSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000162866019 408741181 /nfs/dbraw/zinc/74/11/81/408741181.db2.gz VFUNMQUZYXVJCB-QGZVFWFLSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000162866019 408741186 /nfs/dbraw/zinc/74/11/86/408741186.db2.gz VFUNMQUZYXVJCB-QGZVFWFLSA-N 2 1 313.449 1.950 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000328274501 409928967 /nfs/dbraw/zinc/92/89/67/409928967.db2.gz OEVYLUQMWGSRQI-KRWDZBQOSA-N 2 1 304.434 1.588 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000328274501 409928974 /nfs/dbraw/zinc/92/89/74/409928974.db2.gz OEVYLUQMWGSRQI-KRWDZBQOSA-N 2 1 304.434 1.588 20 30 DDEDMP C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000341899845 411082999 /nfs/dbraw/zinc/08/29/99/411082999.db2.gz HNIIMBXGXAGSNK-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000341899845 411083004 /nfs/dbraw/zinc/08/30/04/411083004.db2.gz HNIIMBXGXAGSNK-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C)[C@H]2CO)[C@@H]1CO ZINC000341899845 411083008 /nfs/dbraw/zinc/08/30/08/411083008.db2.gz HNIIMBXGXAGSNK-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@]2(CCOC2)C1 ZINC000261997389 222267230 /nfs/dbraw/zinc/26/72/30/222267230.db2.gz SSQTZRIYEIBXLB-KRWDZBQOSA-N 2 1 308.470 1.549 20 30 DDEDMP C[NH+]=C(NCc1nc(C)cs1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262002195 222269303 /nfs/dbraw/zinc/26/93/03/222269303.db2.gz USXDJBNRVYNTRY-MFKMUULPSA-N 2 1 307.467 1.599 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(F)cc1F ZINC000264058889 222311831 /nfs/dbraw/zinc/31/18/31/222311831.db2.gz BXDDHTQWKWMLQV-UHFFFAOYSA-N 2 1 312.364 1.091 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1OC ZINC000264069242 222312888 /nfs/dbraw/zinc/31/28/88/222312888.db2.gz CSKBQSSTOQOIIC-DZGCQCFKSA-N 2 1 320.437 1.117 20 30 DDEDMP COCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000264104314 222318782 /nfs/dbraw/zinc/31/87/82/222318782.db2.gz PAPAAKIEZOBNDQ-UHFFFAOYSA-N 2 1 305.357 1.371 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(F)c(COC)c1 ZINC000267472234 222387187 /nfs/dbraw/zinc/38/71/87/222387187.db2.gz YCSQJRISQOGYPK-HNNXBMFYSA-N 2 1 322.428 1.861 20 30 DDEDMP C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625008 418711430 /nfs/dbraw/zinc/71/14/30/418711430.db2.gz KKILJYRXVUKBQR-HNNXBMFYSA-N 2 1 302.422 1.752 20 30 DDEDMP C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625008 418711433 /nfs/dbraw/zinc/71/14/33/418711433.db2.gz KKILJYRXVUKBQR-HNNXBMFYSA-N 2 1 302.422 1.752 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000377896494 418716689 /nfs/dbraw/zinc/71/66/89/418716689.db2.gz KWXOHBWINKBUBZ-OAHLLOKOSA-N 2 1 302.422 1.917 20 30 DDEDMP Cn1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C#N ZINC000368052026 418680382 /nfs/dbraw/zinc/68/03/82/418680382.db2.gz SDOCGEBJGZYBSP-QGZVFWFLSA-N 2 1 315.465 1.497 20 30 DDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000368844918 418725250 /nfs/dbraw/zinc/72/52/50/418725250.db2.gz JMSKHYNEZMFYDZ-UKRRQHHQSA-N 2 1 323.400 1.995 20 30 DDEDMP C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412176486 419705918 /nfs/dbraw/zinc/70/59/18/419705918.db2.gz QEPBZOYXADIEGM-XHSDSOJGSA-N 2 1 308.470 1.942 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(NCC(F)(F)C[NH3+])CC2)cc1 ZINC000423339663 420019704 /nfs/dbraw/zinc/01/97/04/420019704.db2.gz JBXSWCUMZYERMQ-UHFFFAOYSA-N 2 1 308.376 1.706 20 30 DDEDMP Cc1nc2cc(NC[C@H](O)CN(C)CCC#N)ccc2n1C ZINC000521995565 421809828 /nfs/dbraw/zinc/80/98/28/421809828.db2.gz IYIGUSFGFRHYMN-AWEZNQCLSA-N 2 1 301.394 1.500 20 30 DDEDMP C=CC[C@]1(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CCC[NH2+]1 ZINC000662815255 424777141 /nfs/dbraw/zinc/77/71/41/424777141.db2.gz QIRCBQAXDKCAMV-LEOMRAHMSA-N 2 1 320.481 1.017 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000424167411 303151927 /nfs/dbraw/zinc/15/19/27/303151927.db2.gz DQPDRALJIOWEJH-KBMXLJTQSA-N 2 1 304.438 1.483 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)C#N ZINC000542878094 341024728 /nfs/dbraw/zinc/02/47/28/341024728.db2.gz TXBVEINVUMBTBJ-HUUCEWRRSA-N 2 1 309.458 1.204 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC000567679204 341627120 /nfs/dbraw/zinc/62/71/20/341627120.db2.gz OYXUEZCUMZMEKO-INIZCTEOSA-N 2 1 312.454 1.173 20 30 DDEDMP C(#CC[N@H+]1CCC[C@H]2OCC[C@H]21)CN1CCC[C@H]2OCC[C@H]21 ZINC000367458723 484539570 /nfs/dbraw/zinc/53/95/70/484539570.db2.gz NPEQWPUKYGGISS-BRSBDYLESA-N 2 1 304.434 1.496 20 30 DDEDMP C(#CC[N@@H+]1CCC[C@H]2OCC[C@H]21)C[NH+]1CCC[C@H]2OCC[C@H]21 ZINC000367458723 484539577 /nfs/dbraw/zinc/53/95/77/484539577.db2.gz NPEQWPUKYGGISS-BRSBDYLESA-N 2 1 304.434 1.496 20 30 DDEDMP C(#CC[N@H+]1CCC[C@H]2OCC[C@H]21)C[NH+]1CCC[C@H]2OCC[C@H]21 ZINC000367458723 484539580 /nfs/dbraw/zinc/53/95/80/484539580.db2.gz NPEQWPUKYGGISS-BRSBDYLESA-N 2 1 304.434 1.496 20 30 DDEDMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1C#N ZINC000414773749 533829099 /nfs/dbraw/zinc/82/90/99/533829099.db2.gz DYUNDXGDCXIBIM-MRXNPFEDSA-N 2 1 315.417 1.754 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000491119724 526830149 /nfs/dbraw/zinc/83/01/49/526830149.db2.gz JLHVJTQCZIDRSB-GJZGRUSLSA-N 2 1 309.454 1.977 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000491119724 526830153 /nfs/dbraw/zinc/83/01/53/526830153.db2.gz JLHVJTQCZIDRSB-GJZGRUSLSA-N 2 1 309.454 1.977 20 30 DDEDMP C#CCN(CC#N)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491634869 526870318 /nfs/dbraw/zinc/87/03/18/526870318.db2.gz SWWWOQRYARDFAA-UHFFFAOYSA-N 2 1 316.449 1.168 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980188651 696704454 /nfs/dbraw/zinc/70/44/54/696704454.db2.gz NMPXTWCPRXSAOM-KSZLIROESA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980211615 696709122 /nfs/dbraw/zinc/70/91/22/696709122.db2.gz GWPYQKHCWKIDBH-YESZJQIVSA-N 2 1 315.461 1.322 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179731 695169871 /nfs/dbraw/zinc/16/98/71/695169871.db2.gz PXIAXBHHPYSDBN-ZBFHGGJFSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179731 695169872 /nfs/dbraw/zinc/16/98/72/695169872.db2.gz PXIAXBHHPYSDBN-ZBFHGGJFSA-N 2 1 302.422 1.473 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974738947 695723348 /nfs/dbraw/zinc/72/33/48/695723348.db2.gz KCWLFVIMQJLBLQ-INIZCTEOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974771247 695731143 /nfs/dbraw/zinc/73/11/43/695731143.db2.gz FGJDKOSXURSKMN-HNNXBMFYSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970402 695770174 /nfs/dbraw/zinc/77/01/74/695770174.db2.gz KDOBMKUXWUHGPC-HUUCEWRRSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970402 695770177 /nfs/dbraw/zinc/77/01/77/695770177.db2.gz KDOBMKUXWUHGPC-HUUCEWRRSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970402 695770179 /nfs/dbraw/zinc/77/01/79/695770179.db2.gz KDOBMKUXWUHGPC-HUUCEWRRSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970402 695770180 /nfs/dbraw/zinc/77/01/80/695770180.db2.gz KDOBMKUXWUHGPC-HUUCEWRRSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978400772 696376974 /nfs/dbraw/zinc/37/69/74/696376974.db2.gz AFGJINALUJEAFM-QKDCVEJESA-N 2 1 318.421 1.220 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978400772 696376977 /nfs/dbraw/zinc/37/69/77/696376977.db2.gz AFGJINALUJEAFM-QKDCVEJESA-N 2 1 318.421 1.220 20 30 DDEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC(C)C)cc2)CC1 ZINC000104166040 696619052 /nfs/dbraw/zinc/61/90/52/696619052.db2.gz AJIKYASWZDLKRT-UHFFFAOYSA-N 2 1 317.481 1.637 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981778155 696912456 /nfs/dbraw/zinc/91/24/56/696912456.db2.gz DRQMHNOFZDKAQU-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778155 696912458 /nfs/dbraw/zinc/91/24/58/696912458.db2.gz DRQMHNOFZDKAQU-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778155 696912459 /nfs/dbraw/zinc/91/24/59/696912459.db2.gz DRQMHNOFZDKAQU-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981847830 696941655 /nfs/dbraw/zinc/94/16/55/696941655.db2.gz GWPIGLWWOMNHKD-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981847830 696941657 /nfs/dbraw/zinc/94/16/57/696941657.db2.gz GWPIGLWWOMNHKD-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981847830 696941660 /nfs/dbraw/zinc/94/16/60/696941660.db2.gz GWPIGLWWOMNHKD-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982150511 697043192 /nfs/dbraw/zinc/04/31/92/697043192.db2.gz ITOISSJDLJICKC-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982150511 697043194 /nfs/dbraw/zinc/04/31/94/697043194.db2.gz ITOISSJDLJICKC-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982157640 697044793 /nfs/dbraw/zinc/04/47/93/697044793.db2.gz VPVKZZXSJCYNSR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982157640 697044794 /nfs/dbraw/zinc/04/47/94/697044794.db2.gz VPVKZZXSJCYNSR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157640 697044795 /nfs/dbraw/zinc/04/47/95/697044795.db2.gz VPVKZZXSJCYNSR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157640 697044796 /nfs/dbraw/zinc/04/47/96/697044796.db2.gz VPVKZZXSJCYNSR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982235427 697068577 /nfs/dbraw/zinc/06/85/77/697068577.db2.gz QGKQHUAAYZFBHI-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235427 697068579 /nfs/dbraw/zinc/06/85/79/697068579.db2.gz QGKQHUAAYZFBHI-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235427 697068580 /nfs/dbraw/zinc/06/85/80/697068580.db2.gz QGKQHUAAYZFBHI-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000985427084 697509045 /nfs/dbraw/zinc/50/90/45/697509045.db2.gz CTDZLEVSKBOKHG-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000985427084 697509048 /nfs/dbraw/zinc/50/90/48/697509048.db2.gz CTDZLEVSKBOKHG-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000985427084 697509049 /nfs/dbraw/zinc/50/90/49/697509049.db2.gz CTDZLEVSKBOKHG-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP [NH2+]=C(N[C@H]1CCn2cc[nH+]c2C1)N[C@H]1CCOc2ccccc21 ZINC000262479939 698471459 /nfs/dbraw/zinc/47/14/59/698471459.db2.gz RAFIZFTVJNZHAT-JSGCOSHPSA-N 2 1 311.389 1.626 20 30 DDEDMP CCCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264129839 698514978 /nfs/dbraw/zinc/51/49/78/698514978.db2.gz XQVWYMSFAUCOIX-KRWDZBQOSA-N 2 1 317.481 1.680 20 30 DDEDMP CCCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000264129839 698514979 /nfs/dbraw/zinc/51/49/79/698514979.db2.gz XQVWYMSFAUCOIX-KRWDZBQOSA-N 2 1 317.481 1.680 20 30 DDEDMP CCCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264129839 698514980 /nfs/dbraw/zinc/51/49/80/698514980.db2.gz XQVWYMSFAUCOIX-KRWDZBQOSA-N 2 1 317.481 1.680 20 30 DDEDMP CNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000303255808 698604103 /nfs/dbraw/zinc/60/41/03/698604103.db2.gz HDOQGRZIFKFBDO-UHFFFAOYSA-N 2 1 309.845 1.386 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000764444134 700971084 /nfs/dbraw/zinc/97/10/84/700971084.db2.gz ORPSVQJDLFHMMJ-HRCADAONSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000847257180 703391670 /nfs/dbraw/zinc/39/16/70/703391670.db2.gz VDNNQOHVNAOZIY-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000855345554 704479704 /nfs/dbraw/zinc/47/97/04/704479704.db2.gz CTZSDYOHZVGOMD-AWEZNQCLSA-N 2 1 302.422 1.065 20 30 DDEDMP C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000855345554 704479705 /nfs/dbraw/zinc/47/97/05/704479705.db2.gz CTZSDYOHZVGOMD-AWEZNQCLSA-N 2 1 302.422 1.065 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000826014444 705758157 /nfs/dbraw/zinc/75/81/57/705758157.db2.gz WTERCQNUDMICHR-UHFFFAOYSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCCCCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000876684557 705818509 /nfs/dbraw/zinc/81/85/09/705818509.db2.gz GCFPMOXMQMYKQM-UHFFFAOYSA-N 2 1 305.466 1.810 20 30 DDEDMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876739741 705851000 /nfs/dbraw/zinc/85/10/00/705851000.db2.gz ICDLDRZSXZFEAK-RHSMWYFYSA-N 2 1 312.417 1.203 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832238724 706878019 /nfs/dbraw/zinc/87/80/19/706878019.db2.gz IGNUDJZCROBYLJ-KRWDZBQOSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832238724 706878022 /nfs/dbraw/zinc/87/80/22/706878022.db2.gz IGNUDJZCROBYLJ-KRWDZBQOSA-N 2 1 317.477 1.951 20 30 DDEDMP C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000873219498 707773986 /nfs/dbraw/zinc/77/39/86/707773986.db2.gz IYUIGSLRXOJHKL-QGZVFWFLSA-N 2 1 314.433 1.230 20 30 DDEDMP C#Cc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000883131953 707936171 /nfs/dbraw/zinc/93/61/71/707936171.db2.gz AERWWZJFDPWWEX-UHFFFAOYSA-N 2 1 321.428 1.500 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000884457294 708304432 /nfs/dbraw/zinc/30/44/32/708304432.db2.gz YSTDRLCELUZSTQ-CABCVRRESA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000884457294 708304434 /nfs/dbraw/zinc/30/44/34/708304434.db2.gz YSTDRLCELUZSTQ-CABCVRRESA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000884457294 708304439 /nfs/dbraw/zinc/30/44/39/708304439.db2.gz YSTDRLCELUZSTQ-CABCVRRESA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000884457294 708304443 /nfs/dbraw/zinc/30/44/43/708304443.db2.gz YSTDRLCELUZSTQ-CABCVRRESA-N 2 1 306.454 1.256 20 30 DDEDMP C#CCN(C(=O)NCC[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000897471450 708342874 /nfs/dbraw/zinc/34/28/74/708342874.db2.gz MKDJYQMBXIRDSL-OAHLLOKOSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000890367865 709841274 /nfs/dbraw/zinc/84/12/74/709841274.db2.gz WSQYOMSPZGAMJJ-DOTOQJQBSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000890367865 709841279 /nfs/dbraw/zinc/84/12/79/709841279.db2.gz WSQYOMSPZGAMJJ-DOTOQJQBSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000890367727 709841337 /nfs/dbraw/zinc/84/13/37/709841337.db2.gz SJHMSXJQUORIIV-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000890367727 709841342 /nfs/dbraw/zinc/84/13/42/709841342.db2.gz SJHMSXJQUORIIV-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000890378060 709847355 /nfs/dbraw/zinc/84/73/55/709847355.db2.gz SZQPOOJDNILPJH-INIZCTEOSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000890378060 709847358 /nfs/dbraw/zinc/84/73/58/709847358.db2.gz SZQPOOJDNILPJH-INIZCTEOSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891921877 710328651 /nfs/dbraw/zinc/32/86/51/710328651.db2.gz XCDNABQZPDHWNP-MRXNPFEDSA-N 2 1 320.481 1.553 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccc(OC)cc2)C1 ZINC000913481225 713234256 /nfs/dbraw/zinc/23/42/56/713234256.db2.gz UGPKXUAMRSSSRJ-KRWDZBQOSA-N 2 1 317.433 1.676 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000894584780 711194403 /nfs/dbraw/zinc/19/44/03/711194403.db2.gz DVQCMIPYBHWMDL-INIZCTEOSA-N 2 1 300.406 1.748 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000894863513 711300368 /nfs/dbraw/zinc/30/03/68/711300368.db2.gz GZDWGFGXWLTFQM-HNNXBMFYSA-N 2 1 322.474 1.738 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000894863513 711300372 /nfs/dbraw/zinc/30/03/72/711300372.db2.gz GZDWGFGXWLTFQM-HNNXBMFYSA-N 2 1 322.474 1.738 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)C1 ZINC000896489429 711732043 /nfs/dbraw/zinc/73/20/43/711732043.db2.gz OELJODVBCGSMJY-KRWDZBQOSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)C1 ZINC000896489429 711732044 /nfs/dbraw/zinc/73/20/44/711732044.db2.gz OELJODVBCGSMJY-KRWDZBQOSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CCN(C(=O)NCC[N@H+](C)[C@@H](C)CC)C1CC[NH+](C)CC1 ZINC000916371628 713452427 /nfs/dbraw/zinc/45/24/27/713452427.db2.gz PSSOOLVGYSCSRZ-HNNXBMFYSA-N 2 1 308.470 1.456 20 30 DDEDMP C=C(C)CNC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000919719261 713630407 /nfs/dbraw/zinc/63/04/07/713630407.db2.gz RUDMPJOUETUBBQ-UHFFFAOYSA-N 2 1 305.451 1.696 20 30 DDEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000921685883 713842789 /nfs/dbraw/zinc/84/27/89/713842789.db2.gz YMISHKCRLHDAHD-UHFFFAOYSA-N 2 1 314.433 1.429 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108382 717955113 /nfs/dbraw/zinc/95/51/13/717955113.db2.gz XNFKIQZQHMBXHB-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108382 717955117 /nfs/dbraw/zinc/95/51/17/717955117.db2.gz XNFKIQZQHMBXHB-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923491050 714374989 /nfs/dbraw/zinc/37/49/89/714374989.db2.gz HASJJEZCDWVWDB-KBMXLJTQSA-N 2 1 303.406 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000940892471 717012077 /nfs/dbraw/zinc/01/20/77/717012077.db2.gz DLPWQELUQMQBTD-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892471 717012083 /nfs/dbraw/zinc/01/20/83/717012083.db2.gz DLPWQELUQMQBTD-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033945 717082386 /nfs/dbraw/zinc/08/23/86/717082386.db2.gz YILVUZGUTMPOGJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033945 717082392 /nfs/dbraw/zinc/08/23/92/717082392.db2.gz YILVUZGUTMPOGJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033945 717082395 /nfs/dbraw/zinc/08/23/95/717082395.db2.gz YILVUZGUTMPOGJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000962049698 717287335 /nfs/dbraw/zinc/28/73/35/717287335.db2.gz IQRPHLGOQYGVQZ-PIIMJCKOSA-N 2 1 313.445 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962781443 717586952 /nfs/dbraw/zinc/58/69/52/717586952.db2.gz UCEUXOALWLWQRZ-PIIMJCKOSA-N 2 1 313.445 1.984 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943876273 718213206 /nfs/dbraw/zinc/21/32/06/718213206.db2.gz HRUJHNQYLOYSAD-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944046139 718247440 /nfs/dbraw/zinc/24/74/40/718247440.db2.gz HABJOOGJTRVVKO-YJBOKZPZSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C[C@@H]1C ZINC000947771213 719265656 /nfs/dbraw/zinc/26/56/56/719265656.db2.gz IHUQFRQYKNWIHK-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771213 719265657 /nfs/dbraw/zinc/26/56/57/719265657.db2.gz IHUQFRQYKNWIHK-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771213 719265658 /nfs/dbraw/zinc/26/56/58/719265658.db2.gz IHUQFRQYKNWIHK-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948386377 719477500 /nfs/dbraw/zinc/47/75/00/719477500.db2.gz VVNGFIULYFIPTI-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948386377 719477503 /nfs/dbraw/zinc/47/75/03/719477503.db2.gz VVNGFIULYFIPTI-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948386377 719477506 /nfs/dbraw/zinc/47/75/06/719477506.db2.gz VVNGFIULYFIPTI-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948541626 719538903 /nfs/dbraw/zinc/53/89/03/719538903.db2.gz GXNOOJMETKNCLC-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948541626 719538904 /nfs/dbraw/zinc/53/89/04/719538904.db2.gz GXNOOJMETKNCLC-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541626 719538907 /nfs/dbraw/zinc/53/89/07/719538907.db2.gz GXNOOJMETKNCLC-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541626 719538910 /nfs/dbraw/zinc/53/89/10/719538910.db2.gz GXNOOJMETKNCLC-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621789 719594403 /nfs/dbraw/zinc/59/44/03/719594403.db2.gz VDHIDYGHNTXAHZ-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621789 719594406 /nfs/dbraw/zinc/59/44/06/719594406.db2.gz VDHIDYGHNTXAHZ-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517640 719637820 /nfs/dbraw/zinc/63/78/20/719637820.db2.gz QBDYJXCUFFXABQ-QAPCUYQASA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517640 719637823 /nfs/dbraw/zinc/63/78/23/719637823.db2.gz QBDYJXCUFFXABQ-QAPCUYQASA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968797436 719792860 /nfs/dbraw/zinc/79/28/60/719792860.db2.gz XDSSAOGLCLMENX-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968797436 719792863 /nfs/dbraw/zinc/79/28/63/719792863.db2.gz XDSSAOGLCLMENX-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797436 719792866 /nfs/dbraw/zinc/79/28/66/719792866.db2.gz XDSSAOGLCLMENX-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797436 719792871 /nfs/dbraw/zinc/79/28/71/719792871.db2.gz XDSSAOGLCLMENX-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000969738357 720272124 /nfs/dbraw/zinc/27/21/24/720272124.db2.gz SYTDUOMBOVHHTR-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(CC)CC)C1 ZINC000969864840 720540445 /nfs/dbraw/zinc/54/04/45/720540445.db2.gz GPPQTYIRGHCYID-YJBOKZPZSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC(CC)CC)C1 ZINC000969864840 720540448 /nfs/dbraw/zinc/54/04/48/720540448.db2.gz GPPQTYIRGHCYID-YJBOKZPZSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338045 720717921 /nfs/dbraw/zinc/71/79/21/720717921.db2.gz GQQRDDZEODZJKD-ZFWWWQNUSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338974 720718917 /nfs/dbraw/zinc/71/89/17/720718917.db2.gz QDEDDBFKOLMIBE-DZGCQCFKSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588223 735326868 /nfs/dbraw/zinc/32/68/68/735326868.db2.gz TXGVFFKMQFFTCP-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588223 735326872 /nfs/dbraw/zinc/32/68/72/735326872.db2.gz TXGVFFKMQFFTCP-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678293 735391754 /nfs/dbraw/zinc/39/17/54/735391754.db2.gz RVDQUFDCHGFHEC-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001098524809 732529609 /nfs/dbraw/zinc/52/96/09/732529609.db2.gz ROAYBTKRAYTLTJ-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524809 732529613 /nfs/dbraw/zinc/52/96/13/732529613.db2.gz ROAYBTKRAYTLTJ-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524809 732529615 /nfs/dbraw/zinc/52/96/15/732529615.db2.gz ROAYBTKRAYTLTJ-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605016 733361470 /nfs/dbraw/zinc/36/14/70/733361470.db2.gz ITXAVQQRSIRMRR-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605016 733361474 /nfs/dbraw/zinc/36/14/74/733361474.db2.gz ITXAVQQRSIRMRR-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605016 733361479 /nfs/dbraw/zinc/36/14/79/733361479.db2.gz ITXAVQQRSIRMRR-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718417 733481875 /nfs/dbraw/zinc/48/18/75/733481875.db2.gz XGZLMOJJPVVHCZ-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167460487 733657173 /nfs/dbraw/zinc/65/71/73/733657173.db2.gz DBVAZUCIUIFDFJ-UHFFFAOYSA-N 2 1 309.454 1.161 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001022436227 734536822 /nfs/dbraw/zinc/53/68/22/734536822.db2.gz IRHNBXMZNJRKGM-CALCHBBNSA-N 2 1 323.400 1.500 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001022712967 734721355 /nfs/dbraw/zinc/72/13/55/734721355.db2.gz FAMAOQPFGSXSGD-SOUVJXGZSA-N 2 1 302.422 1.567 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023365073 735201651 /nfs/dbraw/zinc/20/16/51/735201651.db2.gz WISCWCMNQVVROQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365073 735201657 /nfs/dbraw/zinc/20/16/57/735201657.db2.gz WISCWCMNQVVROQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023374528 735203983 /nfs/dbraw/zinc/20/39/83/735203983.db2.gz SYZQBXPQSQMVAM-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023374528 735203984 /nfs/dbraw/zinc/20/39/84/735203984.db2.gz SYZQBXPQSQMVAM-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023374528 735203985 /nfs/dbraw/zinc/20/39/85/735203985.db2.gz SYZQBXPQSQMVAM-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023450539 735242954 /nfs/dbraw/zinc/24/29/54/735242954.db2.gz HBQFUHUOXWZQBD-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450539 735242956 /nfs/dbraw/zinc/24/29/56/735242956.db2.gz HBQFUHUOXWZQBD-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450539 735242959 /nfs/dbraw/zinc/24/29/59/735242959.db2.gz HBQFUHUOXWZQBD-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450539 735242960 /nfs/dbraw/zinc/24/29/60/735242960.db2.gz HBQFUHUOXWZQBD-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450539 735242963 /nfs/dbraw/zinc/24/29/63/735242963.db2.gz HBQFUHUOXWZQBD-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024377015 735794720 /nfs/dbraw/zinc/79/47/20/735794720.db2.gz HQPVRDBAYWNJFM-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024377015 735794722 /nfs/dbraw/zinc/79/47/22/735794722.db2.gz HQPVRDBAYWNJFM-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024377015 735794725 /nfs/dbraw/zinc/79/47/25/735794725.db2.gz HQPVRDBAYWNJFM-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024377015 735794728 /nfs/dbraw/zinc/79/47/28/735794728.db2.gz HQPVRDBAYWNJFM-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024813282 736108695 /nfs/dbraw/zinc/10/86/95/736108695.db2.gz YCJIHHAZZLZZFD-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024813282 736108696 /nfs/dbraw/zinc/10/86/96/736108696.db2.gz YCJIHHAZZLZZFD-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024813282 736108697 /nfs/dbraw/zinc/10/86/97/736108697.db2.gz YCJIHHAZZLZZFD-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025289960 736410368 /nfs/dbraw/zinc/41/03/68/736410368.db2.gz VXJXINMRVWNKTI-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818357 736869440 /nfs/dbraw/zinc/86/94/40/736869440.db2.gz AEDMYYIREBGQKX-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818357 736869442 /nfs/dbraw/zinc/86/94/42/736869442.db2.gz AEDMYYIREBGQKX-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818357 736869444 /nfs/dbraw/zinc/86/94/44/736869444.db2.gz AEDMYYIREBGQKX-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001038366678 737438412 /nfs/dbraw/zinc/43/84/12/737438412.db2.gz IHGPFNAJCXKVMJ-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008750672 738009865 /nfs/dbraw/zinc/00/98/65/738009865.db2.gz XKRAKOWTLZRLNP-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167836582 738996392 /nfs/dbraw/zinc/99/63/92/738996392.db2.gz ZVCGXKRBMQEOTH-UHFFFAOYSA-N 2 1 311.470 1.407 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997949390 751415494 /nfs/dbraw/zinc/41/54/94/751415494.db2.gz MMPHQZHUMAIOQX-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997949390 751415496 /nfs/dbraw/zinc/41/54/96/751415496.db2.gz MMPHQZHUMAIOQX-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997949390 751415497 /nfs/dbraw/zinc/41/54/97/751415497.db2.gz MMPHQZHUMAIOQX-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181707 739130651 /nfs/dbraw/zinc/13/06/51/739130651.db2.gz ZARLXFOADQDJGT-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231125 739201217 /nfs/dbraw/zinc/20/12/17/739201217.db2.gz XQTDEDCTNXTLBS-INIZCTEOSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028231125 739201220 /nfs/dbraw/zinc/20/12/20/739201220.db2.gz XQTDEDCTNXTLBS-INIZCTEOSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594618 739759469 /nfs/dbraw/zinc/75/94/69/739759469.db2.gz ITOQNWHTJQTMFZ-RDJZCZTQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594618 739759472 /nfs/dbraw/zinc/75/94/72/739759472.db2.gz ITOQNWHTJQTMFZ-RDJZCZTQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594618 739759476 /nfs/dbraw/zinc/75/94/76/739759476.db2.gz ITOQNWHTJQTMFZ-RDJZCZTQSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799554 740056005 /nfs/dbraw/zinc/05/60/05/740056005.db2.gz CRBAIGIGCMTHNU-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799554 740056010 /nfs/dbraw/zinc/05/60/10/740056010.db2.gz CRBAIGIGCMTHNU-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCOCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167973499 740322995 /nfs/dbraw/zinc/32/29/95/740322995.db2.gz LYSZAXYZTXGLCN-AYHJJNSGSA-N 2 1 306.450 1.648 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035482546 751536034 /nfs/dbraw/zinc/53/60/34/751536034.db2.gz BGMQSAFOANRQMX-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482546 751536038 /nfs/dbraw/zinc/53/60/38/751536038.db2.gz BGMQSAFOANRQMX-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482546 751536044 /nfs/dbraw/zinc/53/60/44/751536044.db2.gz BGMQSAFOANRQMX-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175768 751567821 /nfs/dbraw/zinc/56/78/21/751567821.db2.gz DSTCUQBDTMWRJQ-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665496 740700109 /nfs/dbraw/zinc/70/01/09/740700109.db2.gz SCRGHBDKDOLSDR-SYGRHNPNSA-N 2 1 319.449 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665496 740700111 /nfs/dbraw/zinc/70/01/11/740700111.db2.gz SCRGHBDKDOLSDR-SYGRHNPNSA-N 2 1 319.449 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665496 740700113 /nfs/dbraw/zinc/70/01/13/740700113.db2.gz SCRGHBDKDOLSDR-SYGRHNPNSA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001037935026 751573728 /nfs/dbraw/zinc/57/37/28/751573728.db2.gz BDXQXMCETBVGMQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001088329729 741393961 /nfs/dbraw/zinc/39/39/61/741393961.db2.gz FXVNQWSUVNCMPT-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075875891 741443990 /nfs/dbraw/zinc/44/39/90/741443990.db2.gz IMVZTEHABSOVQT-OKZBNKHCSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241320 741839202 /nfs/dbraw/zinc/83/92/02/741839202.db2.gz WRCGXBFMXLPYGH-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241320 741839206 /nfs/dbraw/zinc/83/92/06/741839206.db2.gz WRCGXBFMXLPYGH-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001016335513 743481910 /nfs/dbraw/zinc/48/19/10/743481910.db2.gz DJSGWLYVKMLFRE-GDBMZVCRSA-N 2 1 309.429 1.270 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001183255699 743810724 /nfs/dbraw/zinc/81/07/24/743810724.db2.gz NKEJQVMXNZMIEL-CABCVRRESA-N 2 1 318.421 1.154 20 30 DDEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001151387842 743975002 /nfs/dbraw/zinc/97/50/02/743975002.db2.gz RQTVOFTWKIWVAE-UHFFFAOYSA-N 2 1 323.481 1.339 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035794954 751882367 /nfs/dbraw/zinc/88/23/67/751882367.db2.gz NTDZVBUMEIWQKR-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184811960 744106322 /nfs/dbraw/zinc/10/63/22/744106322.db2.gz YIFXBBBBDQLAJW-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168608 744169698 /nfs/dbraw/zinc/16/96/98/744169698.db2.gz HTYQUVXVYRAJFN-CVEARBPZSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185668638 744271931 /nfs/dbraw/zinc/27/19/31/744271931.db2.gz FZEKBOZCVCOJBB-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137656 744628267 /nfs/dbraw/zinc/62/82/67/744628267.db2.gz OFQMUQNNYMPICJ-JFIYKMOQSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137656 744628269 /nfs/dbraw/zinc/62/82/69/744628269.db2.gz OFQMUQNNYMPICJ-JFIYKMOQSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137656 744628270 /nfs/dbraw/zinc/62/82/70/744628270.db2.gz OFQMUQNNYMPICJ-JFIYKMOQSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@@H]12 ZINC000992137656 744628272 /nfs/dbraw/zinc/62/82/72/744628272.db2.gz OFQMUQNNYMPICJ-JFIYKMOQSA-N 2 1 321.465 1.395 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992139851 744629537 /nfs/dbraw/zinc/62/95/37/744629537.db2.gz CVRGEJSNBXPWGJ-FUHWJXTLSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106594572 745820911 /nfs/dbraw/zinc/82/09/11/745820911.db2.gz WGLNNUQJAGOXFF-FVQBIDKESA-N 2 1 314.433 1.071 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993685818 746275743 /nfs/dbraw/zinc/27/57/43/746275743.db2.gz SFDAGFUMZRELPS-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194154746 746293857 /nfs/dbraw/zinc/29/38/57/746293857.db2.gz NTBBJDGFJWMUME-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194154746 746293863 /nfs/dbraw/zinc/29/38/63/746293863.db2.gz NTBBJDGFJWMUME-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194154746 746293867 /nfs/dbraw/zinc/29/38/67/746293867.db2.gz NTBBJDGFJWMUME-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194154746 746293871 /nfs/dbraw/zinc/29/38/71/746293871.db2.gz NTBBJDGFJWMUME-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429649 746383838 /nfs/dbraw/zinc/38/38/38/746383838.db2.gz LQNNXKYOLUOKSD-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](CC)OC)CC1 ZINC001003056760 746946327 /nfs/dbraw/zinc/94/63/27/746946327.db2.gz SCFDDBRBUFUWMJ-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](CC)OC)CC1 ZINC001003056760 746946333 /nfs/dbraw/zinc/94/63/33/746946333.db2.gz SCFDDBRBUFUWMJ-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1ccnc1C ZINC001099339328 747023769 /nfs/dbraw/zinc/02/37/69/747023769.db2.gz GTCGPKJDTPYXKT-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339328 747023776 /nfs/dbraw/zinc/02/37/76/747023776.db2.gz GTCGPKJDTPYXKT-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197017372 747027652 /nfs/dbraw/zinc/02/76/52/747027652.db2.gz DFQBCOLNWAVVQN-OAGGEKHMSA-N 2 1 311.470 1.090 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197448413 747154971 /nfs/dbraw/zinc/15/49/71/747154971.db2.gz ZBNABUTUYSLVMG-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197448413 747154978 /nfs/dbraw/zinc/15/49/78/747154978.db2.gz ZBNABUTUYSLVMG-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003630050 747337733 /nfs/dbraw/zinc/33/77/33/747337733.db2.gz IQYUAZAUIHTUKU-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001007495425 752172533 /nfs/dbraw/zinc/17/25/33/752172533.db2.gz JMYWALAJCSHLMJ-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007495425 752172534 /nfs/dbraw/zinc/17/25/34/752172534.db2.gz JMYWALAJCSHLMJ-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007496988 752174124 /nfs/dbraw/zinc/17/41/24/752174124.db2.gz YCUXKFZQHRQANX-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007496988 752174126 /nfs/dbraw/zinc/17/41/26/752174126.db2.gz YCUXKFZQHRQANX-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003742511 747436643 /nfs/dbraw/zinc/43/66/43/747436643.db2.gz WSNWBYZOWPTGRZ-QGZVFWFLSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089621324 747484758 /nfs/dbraw/zinc/48/47/58/747484758.db2.gz QVBXTHLGQUCAAA-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089621324 747484761 /nfs/dbraw/zinc/48/47/61/747484761.db2.gz QVBXTHLGQUCAAA-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089621324 747484764 /nfs/dbraw/zinc/48/47/64/747484764.db2.gz QVBXTHLGQUCAAA-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089621324 747484769 /nfs/dbraw/zinc/48/47/69/747484769.db2.gz QVBXTHLGQUCAAA-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001089624502 747491403 /nfs/dbraw/zinc/49/14/03/747491403.db2.gz FIHGTAKOAHZYCD-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089624502 747491407 /nfs/dbraw/zinc/49/14/07/747491407.db2.gz FIHGTAKOAHZYCD-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089624502 747491410 /nfs/dbraw/zinc/49/14/10/747491410.db2.gz FIHGTAKOAHZYCD-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089624502 747491417 /nfs/dbraw/zinc/49/14/17/747491417.db2.gz FIHGTAKOAHZYCD-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001031731774 747597525 /nfs/dbraw/zinc/59/75/25/747597525.db2.gz KSFYKFLWRXDXTF-HNNXBMFYSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119497 747720180 /nfs/dbraw/zinc/72/01/80/747720180.db2.gz HIZSLPMXNGTIEC-ZACQAIPSSA-N 2 1 317.433 1.027 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119497 747720184 /nfs/dbraw/zinc/72/01/84/747720184.db2.gz HIZSLPMXNGTIEC-ZACQAIPSSA-N 2 1 317.433 1.027 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001004548060 748540143 /nfs/dbraw/zinc/54/01/43/748540143.db2.gz PJCVZUBKGAZQGV-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151121 748618310 /nfs/dbraw/zinc/61/83/10/748618310.db2.gz IJEZBNDPMUWALI-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033151121 748618312 /nfs/dbraw/zinc/61/83/12/748618312.db2.gz IJEZBNDPMUWALI-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033151121 748618315 /nfs/dbraw/zinc/61/83/15/748618315.db2.gz IJEZBNDPMUWALI-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554173 748680951 /nfs/dbraw/zinc/68/09/51/748680951.db2.gz YBRZMTUPSZUYOH-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554173 748680955 /nfs/dbraw/zinc/68/09/55/748680955.db2.gz YBRZMTUPSZUYOH-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554173 748680961 /nfs/dbraw/zinc/68/09/61/748680961.db2.gz YBRZMTUPSZUYOH-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296274 749138412 /nfs/dbraw/zinc/13/84/12/749138412.db2.gz SCVBNGYFUHRYQL-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712066 749228391 /nfs/dbraw/zinc/22/83/91/749228391.db2.gz QSUNPAWYDLSLIV-GDBMZVCRSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014712066 749228400 /nfs/dbraw/zinc/22/84/00/749228400.db2.gz QSUNPAWYDLSLIV-GDBMZVCRSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014712066 749228401 /nfs/dbraw/zinc/22/84/01/749228401.db2.gz QSUNPAWYDLSLIV-GDBMZVCRSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416683 749314949 /nfs/dbraw/zinc/31/49/49/749314949.db2.gz QPQQPQCRYYAHNC-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416683 749314952 /nfs/dbraw/zinc/31/49/52/749314952.db2.gz QPQQPQCRYYAHNC-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862396 749772379 /nfs/dbraw/zinc/77/23/79/749772379.db2.gz NSNQDVDCWAJCGB-ZACQAIPSSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546970 750117403 /nfs/dbraw/zinc/11/74/03/750117403.db2.gz VPJHRKJUJMCSHR-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546970 750117408 /nfs/dbraw/zinc/11/74/08/750117408.db2.gz VPJHRKJUJMCSHR-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546970 750117411 /nfs/dbraw/zinc/11/74/11/750117411.db2.gz VPJHRKJUJMCSHR-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCCCC1 ZINC001115691341 750233197 /nfs/dbraw/zinc/23/31/97/750233197.db2.gz UKESLPGLJSZXEB-INIZCTEOSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034047201 750314527 /nfs/dbraw/zinc/31/45/27/750314527.db2.gz DEDQDZZINOJJMO-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034047201 750314531 /nfs/dbraw/zinc/31/45/31/750314531.db2.gz DEDQDZZINOJJMO-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034047201 750314538 /nfs/dbraw/zinc/31/45/38/750314538.db2.gz DEDQDZZINOJJMO-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034047201 750314542 /nfs/dbraw/zinc/31/45/42/750314542.db2.gz DEDQDZZINOJJMO-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001034674097 750673089 /nfs/dbraw/zinc/67/30/89/750673089.db2.gz DIVRWSPZUVJQKE-QBPKDAKJSA-N 2 1 303.450 1.654 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001000676751 762080393 /nfs/dbraw/zinc/08/03/93/762080393.db2.gz QUGNCYZUJDKANS-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114829316 751168026 /nfs/dbraw/zinc/16/80/26/751168026.db2.gz VDAFACOKWQSKAS-VVLHAWIVSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032538008 751223763 /nfs/dbraw/zinc/22/37/63/751223763.db2.gz KQVCDJLYRMFYKT-ULQDDVLXSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035198042 751281216 /nfs/dbraw/zinc/28/12/16/751281216.db2.gz AZRMRSVPAWUOIO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198042 751281222 /nfs/dbraw/zinc/28/12/22/751281222.db2.gz AZRMRSVPAWUOIO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198042 751281228 /nfs/dbraw/zinc/28/12/28/751281228.db2.gz AZRMRSVPAWUOIO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035227007 751306308 /nfs/dbraw/zinc/30/63/08/751306308.db2.gz MIKBGBOHDVUOLP-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227007 751306312 /nfs/dbraw/zinc/30/63/12/751306312.db2.gz MIKBGBOHDVUOLP-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227007 751306318 /nfs/dbraw/zinc/30/63/18/751306318.db2.gz MIKBGBOHDVUOLP-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005882260 753293774 /nfs/dbraw/zinc/29/37/74/753293774.db2.gz JTZBNGQLIIFRDJ-MRXNPFEDSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005882260 753293776 /nfs/dbraw/zinc/29/37/76/753293776.db2.gz JTZBNGQLIIFRDJ-MRXNPFEDSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993255 753355061 /nfs/dbraw/zinc/35/50/61/753355061.db2.gz LHPFOYSTZSYHDD-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001000868788 762283692 /nfs/dbraw/zinc/28/36/92/762283692.db2.gz KHEIOVBXHDEPFT-OAHLLOKOSA-N 2 1 314.433 1.757 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001000868788 762283696 /nfs/dbraw/zinc/28/36/96/762283696.db2.gz KHEIOVBXHDEPFT-OAHLLOKOSA-N 2 1 314.433 1.757 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nccn3C2)CC1 ZINC001000875478 762288914 /nfs/dbraw/zinc/28/89/14/762288914.db2.gz GKCFCHJCPVEESO-MRXNPFEDSA-N 2 1 312.417 1.217 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H](O)C1 ZINC001090361397 755074635 /nfs/dbraw/zinc/07/46/35/755074635.db2.gz ORBQLRFWNRVXON-GDBMZVCRSA-N 2 1 314.389 1.304 20 30 DDEDMP C=C(C)CN1CC[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H](O)C1 ZINC001090361397 755074638 /nfs/dbraw/zinc/07/46/38/755074638.db2.gz ORBQLRFWNRVXON-GDBMZVCRSA-N 2 1 314.389 1.304 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299043 762374678 /nfs/dbraw/zinc/37/46/78/762374678.db2.gz LHHFFNBZPMFLKV-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208072 762439378 /nfs/dbraw/zinc/43/93/78/762439378.db2.gz IOMPBGQQXYGGAJ-IEBWSBKVSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2C)CC1 ZINC001080998128 756181127 /nfs/dbraw/zinc/18/11/27/756181127.db2.gz UCICUJCUYZDPFK-JWLFTQPQSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2C)CC1 ZINC001080998128 756181130 /nfs/dbraw/zinc/18/11/30/756181130.db2.gz UCICUJCUYZDPFK-JWLFTQPQSA-N 2 1 323.868 1.521 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001081146499 756221512 /nfs/dbraw/zinc/22/15/12/756221512.db2.gz IJUPRGHQESIFBD-ZWKOTPCHSA-N 2 1 324.428 1.962 20 30 DDEDMP O=C(N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001016001592 756711583 /nfs/dbraw/zinc/71/15/83/756711583.db2.gz MFZFGLJTEARHQV-SFHVURJKSA-N 2 1 323.440 1.324 20 30 DDEDMP O=C(N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001016001592 756711586 /nfs/dbraw/zinc/71/15/86/756711586.db2.gz MFZFGLJTEARHQV-SFHVURJKSA-N 2 1 323.440 1.324 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001016329514 756931080 /nfs/dbraw/zinc/93/10/80/756931080.db2.gz AXIOUIJZHGMLMX-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001016699863 757277790 /nfs/dbraw/zinc/27/77/90/757277790.db2.gz ZEIMOMJCUMAXQW-HNNXBMFYSA-N 2 1 318.421 1.507 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016969821 757518116 /nfs/dbraw/zinc/51/81/16/757518116.db2.gz PJCZXQSAFLJFQN-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016971110 757519889 /nfs/dbraw/zinc/51/98/89/757519889.db2.gz FTLFTCMOGQCMIX-OAHLLOKOSA-N 2 1 300.406 1.186 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569452 758038862 /nfs/dbraw/zinc/03/88/62/758038862.db2.gz MEAUMTYEQPQEIX-YYIAUSFCSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017569452 758038874 /nfs/dbraw/zinc/03/88/74/758038874.db2.gz MEAUMTYEQPQEIX-YYIAUSFCSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017569452 758038880 /nfs/dbraw/zinc/03/88/80/758038880.db2.gz MEAUMTYEQPQEIX-YYIAUSFCSA-N 2 1 319.449 1.101 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCF)[C@H]2C1 ZINC001084961066 758103594 /nfs/dbraw/zinc/10/35/94/758103594.db2.gz IXXBGHFNONKHPI-IKGGRYGDSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCF)[C@H]2C1 ZINC001084961066 758103597 /nfs/dbraw/zinc/10/35/97/758103597.db2.gz IXXBGHFNONKHPI-IKGGRYGDSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCF)[C@H]2C1 ZINC001084961066 758103602 /nfs/dbraw/zinc/10/36/02/758103602.db2.gz IXXBGHFNONKHPI-IKGGRYGDSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCF)[C@H]2C1 ZINC001084961066 758103607 /nfs/dbraw/zinc/10/36/07/758103607.db2.gz IXXBGHFNONKHPI-IKGGRYGDSA-N 2 1 321.440 1.366 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085093369 758230257 /nfs/dbraw/zinc/23/02/57/758230257.db2.gz VOVXXKGDXGMMOO-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093369 758230267 /nfs/dbraw/zinc/23/02/67/758230267.db2.gz VOVXXKGDXGMMOO-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085093369 758230275 /nfs/dbraw/zinc/23/02/75/758230275.db2.gz VOVXXKGDXGMMOO-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054146221 759224076 /nfs/dbraw/zinc/22/40/76/759224076.db2.gz AOQYHLYKJYUEIT-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146221 759224081 /nfs/dbraw/zinc/22/40/81/759224081.db2.gz AOQYHLYKJYUEIT-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146221 759224086 /nfs/dbraw/zinc/22/40/86/759224086.db2.gz AOQYHLYKJYUEIT-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001054152082 759233999 /nfs/dbraw/zinc/23/39/99/759233999.db2.gz YYQKMVZONLIALS-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001054152082 759234003 /nfs/dbraw/zinc/23/40/03/759234003.db2.gz YYQKMVZONLIALS-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001054152082 759234006 /nfs/dbraw/zinc/23/40/06/759234006.db2.gz YYQKMVZONLIALS-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001054152082 759234009 /nfs/dbraw/zinc/23/40/09/759234009.db2.gz YYQKMVZONLIALS-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781628 760217747 /nfs/dbraw/zinc/21/77/47/760217747.db2.gz ATBWJOXSCVHCDH-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781628 760217753 /nfs/dbraw/zinc/21/77/53/760217753.db2.gz ATBWJOXSCVHCDH-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085781628 760217755 /nfs/dbraw/zinc/21/77/55/760217755.db2.gz ATBWJOXSCVHCDH-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782277 760218830 /nfs/dbraw/zinc/21/88/30/760218830.db2.gz QHQXTBJSKSDBTP-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085782277 760218834 /nfs/dbraw/zinc/21/88/34/760218834.db2.gz QHQXTBJSKSDBTP-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085782277 760218838 /nfs/dbraw/zinc/21/88/38/760218838.db2.gz QHQXTBJSKSDBTP-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108221040 760516887 /nfs/dbraw/zinc/51/68/87/760516887.db2.gz RTZAXZOHKQQZNO-RDJZCZTQSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086106618 760991509 /nfs/dbraw/zinc/99/15/09/760991509.db2.gz RMOAKIPIPIEELW-UXLLHSPISA-N 2 1 303.450 1.511 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086177021 761118528 /nfs/dbraw/zinc/11/85/28/761118528.db2.gz BFEASZMIKAAIHK-XHSDSOJGSA-N 2 1 309.454 1.156 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108259781 761300395 /nfs/dbraw/zinc/30/03/95/761300395.db2.gz FASNLLPYGQCEJQ-SFHVURJKSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108259781 761300404 /nfs/dbraw/zinc/30/04/04/761300404.db2.gz FASNLLPYGQCEJQ-SFHVURJKSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC001039165709 761792137 /nfs/dbraw/zinc/79/21/37/761792137.db2.gz RMMNMVQNJDMXJD-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165709 761792141 /nfs/dbraw/zinc/79/21/41/761792141.db2.gz RMMNMVQNJDMXJD-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165709 761792144 /nfs/dbraw/zinc/79/21/44/761792144.db2.gz RMMNMVQNJDMXJD-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173239 761797381 /nfs/dbraw/zinc/79/73/81/761797381.db2.gz QZHDFDVAFNTGFV-SFHVURJKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001001464667 762887206 /nfs/dbraw/zinc/88/72/06/762887206.db2.gz YZIALKMAZAUTEI-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001464667 762887214 /nfs/dbraw/zinc/88/72/14/762887214.db2.gz YZIALKMAZAUTEI-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001464667 762887222 /nfs/dbraw/zinc/88/72/22/762887222.db2.gz YZIALKMAZAUTEI-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001464667 762887230 /nfs/dbraw/zinc/88/72/30/762887230.db2.gz YZIALKMAZAUTEI-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001001523632 762936821 /nfs/dbraw/zinc/93/68/21/762936821.db2.gz VKQIYSNDKLHIRP-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068996 763085488 /nfs/dbraw/zinc/08/54/88/763085488.db2.gz RIAHAKQSSDBEIL-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068996 763085497 /nfs/dbraw/zinc/08/54/97/763085497.db2.gz RIAHAKQSSDBEIL-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068996 763085504 /nfs/dbraw/zinc/08/55/04/763085504.db2.gz RIAHAKQSSDBEIL-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587192 763160782 /nfs/dbraw/zinc/16/07/82/763160782.db2.gz OYMVVHABJQEOGT-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587192 763160790 /nfs/dbraw/zinc/16/07/90/763160790.db2.gz OYMVVHABJQEOGT-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587192 763160794 /nfs/dbraw/zinc/16/07/94/763160794.db2.gz OYMVVHABJQEOGT-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050141366 763204861 /nfs/dbraw/zinc/20/48/61/763204861.db2.gz SSCNJBZWIRMULD-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050141366 763204870 /nfs/dbraw/zinc/20/48/70/763204870.db2.gz SSCNJBZWIRMULD-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050141366 763204879 /nfs/dbraw/zinc/20/48/79/763204879.db2.gz SSCNJBZWIRMULD-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835890 763391802 /nfs/dbraw/zinc/39/18/02/763391802.db2.gz XRDKUMRHFSAUOA-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094931 763642709 /nfs/dbraw/zinc/64/27/09/763642709.db2.gz ZUOAPNHDKKNXDU-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094472 763643280 /nfs/dbraw/zinc/64/32/80/763643280.db2.gz SNTOPLNPYIUNCP-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050521102 763701031 /nfs/dbraw/zinc/70/10/31/763701031.db2.gz VSYOINRZFJWIGM-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186273 763752747 /nfs/dbraw/zinc/75/27/47/763752747.db2.gz GAFNPZUHZGILBZ-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@H](O)C1 ZINC001100137202 764321946 /nfs/dbraw/zinc/32/19/46/764321946.db2.gz XUESKRZQBBFEPE-JKSUJKDBSA-N 2 1 320.437 1.181 20 30 DDEDMP N#Cc1ccc(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC001170088133 764991713 /nfs/dbraw/zinc/99/17/13/764991713.db2.gz UXYLJAYQRPJSHG-UHFFFAOYSA-N 2 1 312.352 1.509 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131682028 768259356 /nfs/dbraw/zinc/25/93/56/768259356.db2.gz LPSRBSVXKJVXST-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131692518 768274607 /nfs/dbraw/zinc/27/46/07/768274607.db2.gz HWXJVGRKGBGNSK-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692518 768274611 /nfs/dbraw/zinc/27/46/11/768274611.db2.gz HWXJVGRKGBGNSK-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692518 768274614 /nfs/dbraw/zinc/27/46/14/768274614.db2.gz HWXJVGRKGBGNSK-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCF)C3)CC1 ZINC001047208217 768315802 /nfs/dbraw/zinc/31/58/02/768315802.db2.gz AOOZCXOCBUDYNO-UAGQMJEPSA-N 2 1 321.440 1.270 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044758124 765793114 /nfs/dbraw/zinc/79/31/14/765793114.db2.gz AYPIFXVFGZYWTI-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439058 765829879 /nfs/dbraw/zinc/82/98/79/765829879.db2.gz HNIVYBGBLGAJGL-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439058 765829886 /nfs/dbraw/zinc/82/98/86/765829886.db2.gz HNIVYBGBLGAJGL-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599407 765895423 /nfs/dbraw/zinc/89/54/23/765895423.db2.gz MZPYIUQJBFXUDI-ZWKOTPCHSA-N 2 1 324.428 1.962 20 30 DDEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001086599407 765895427 /nfs/dbraw/zinc/89/54/27/765895427.db2.gz MZPYIUQJBFXUDI-ZWKOTPCHSA-N 2 1 324.428 1.962 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444567 766311739 /nfs/dbraw/zinc/31/17/39/766311739.db2.gz PKCSLMAGPYREIM-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533733 766384557 /nfs/dbraw/zinc/38/45/57/766384557.db2.gz WBFZFUCHTAQTKR-INIZCTEOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533733 766384567 /nfs/dbraw/zinc/38/45/67/766384567.db2.gz WBFZFUCHTAQTKR-INIZCTEOSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC)CC1 ZINC001045896223 766675317 /nfs/dbraw/zinc/67/53/17/766675317.db2.gz YNCLVLSYLPAPNT-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC[C@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001130197345 767358569 /nfs/dbraw/zinc/35/85/69/767358569.db2.gz GVDFIMQOQPUVHN-OAHLLOKOSA-N 2 1 306.385 1.243 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001047459148 768493782 /nfs/dbraw/zinc/49/37/82/768493782.db2.gz MWCSMRPXCJCOTP-HOTGVXAUSA-N 2 1 314.389 1.028 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047553404 768565595 /nfs/dbraw/zinc/56/55/95/768565595.db2.gz DSEMIFAAYWQVJW-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047553404 768565600 /nfs/dbraw/zinc/56/56/00/768565600.db2.gz DSEMIFAAYWQVJW-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001098480234 769215797 /nfs/dbraw/zinc/21/57/97/769215797.db2.gz WDZWCLPSADBRDM-INIZCTEOSA-N 2 1 311.470 1.188 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132934110 769333874 /nfs/dbraw/zinc/33/38/74/769333874.db2.gz ZJGBFODKUVXDRN-UONOGXRCSA-N 2 1 318.421 1.057 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976461 769378218 /nfs/dbraw/zinc/37/82/18/769378218.db2.gz FAJXGLAXTYDILK-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C ZINC001048532659 769501876 /nfs/dbraw/zinc/50/18/76/769501876.db2.gz BSHIWGNGRCDWCC-MHORFTMASA-N 2 1 315.461 1.629 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C ZINC001048532659 769501882 /nfs/dbraw/zinc/50/18/82/769501882.db2.gz BSHIWGNGRCDWCC-MHORFTMASA-N 2 1 315.461 1.629 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C ZINC001048532659 769501887 /nfs/dbraw/zinc/50/18/87/769501887.db2.gz BSHIWGNGRCDWCC-MHORFTMASA-N 2 1 315.461 1.629 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC=C ZINC001048532659 769501891 /nfs/dbraw/zinc/50/18/91/769501891.db2.gz BSHIWGNGRCDWCC-MHORFTMASA-N 2 1 315.461 1.629 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071508053 769530198 /nfs/dbraw/zinc/53/01/98/769530198.db2.gz HIIAXMBFIAGMSD-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071508053 769530203 /nfs/dbraw/zinc/53/02/03/769530203.db2.gz HIIAXMBFIAGMSD-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048589282 769565280 /nfs/dbraw/zinc/56/52/80/769565280.db2.gz GUXOYFDZILEBMK-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048589282 769565284 /nfs/dbraw/zinc/56/52/84/769565284.db2.gz GUXOYFDZILEBMK-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048589282 769565289 /nfs/dbraw/zinc/56/52/89/769565289.db2.gz GUXOYFDZILEBMK-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001158900953 770012553 /nfs/dbraw/zinc/01/25/53/770012553.db2.gz PDFMCKFHMSZJDE-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001158900953 770012560 /nfs/dbraw/zinc/01/25/60/770012560.db2.gz PDFMCKFHMSZJDE-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001158900953 770012572 /nfs/dbraw/zinc/01/25/72/770012572.db2.gz PDFMCKFHMSZJDE-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158900953 770012583 /nfs/dbraw/zinc/01/25/83/770012583.db2.gz PDFMCKFHMSZJDE-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158900953 770012594 /nfs/dbraw/zinc/01/25/94/770012594.db2.gz PDFMCKFHMSZJDE-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821597 770125539 /nfs/dbraw/zinc/12/55/39/770125539.db2.gz QPEXDLLPTYMNQV-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821597 770125543 /nfs/dbraw/zinc/12/55/43/770125543.db2.gz QPEXDLLPTYMNQV-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821597 770125546 /nfs/dbraw/zinc/12/55/46/770125546.db2.gz QPEXDLLPTYMNQV-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049463875 770883570 /nfs/dbraw/zinc/88/35/70/770883570.db2.gz KEGPITZWLOAFTF-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049463875 770883581 /nfs/dbraw/zinc/88/35/81/770883581.db2.gz KEGPITZWLOAFTF-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049463875 770883587 /nfs/dbraw/zinc/88/35/87/770883587.db2.gz KEGPITZWLOAFTF-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049508515 770945374 /nfs/dbraw/zinc/94/53/74/770945374.db2.gz PHXJPMKVYJLDPB-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049508515 770945377 /nfs/dbraw/zinc/94/53/77/770945377.db2.gz PHXJPMKVYJLDPB-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049508515 770945380 /nfs/dbraw/zinc/94/53/80/770945380.db2.gz PHXJPMKVYJLDPB-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516805 770963427 /nfs/dbraw/zinc/96/34/27/770963427.db2.gz GFDUPGRTEOGKSR-HZPDHXFCSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806905 771175709 /nfs/dbraw/zinc/17/57/09/771175709.db2.gz PNBPEPPRUHMKIW-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049916683 771257215 /nfs/dbraw/zinc/25/72/15/771257215.db2.gz FHYDBHHBBJZWQW-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049916683 771257217 /nfs/dbraw/zinc/25/72/17/771257217.db2.gz FHYDBHHBBJZWQW-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049916683 771257219 /nfs/dbraw/zinc/25/72/19/771257219.db2.gz FHYDBHHBBJZWQW-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC#C)CC1 ZINC001049921257 771263097 /nfs/dbraw/zinc/26/30/97/771263097.db2.gz WBFYHSGVVNTXHJ-ZWKOTPCHSA-N 2 1 313.445 1.030 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CC)CC1 ZINC001096605600 771284869 /nfs/dbraw/zinc/28/48/69/771284869.db2.gz WLUQQUQMDCXPCY-SQNIBIBYSA-N 2 1 313.445 1.076 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@H](O)C1 ZINC001090617193 772044437 /nfs/dbraw/zinc/04/44/37/772044437.db2.gz SWFOMPWLBHGUFU-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090617193 772044448 /nfs/dbraw/zinc/04/44/48/772044448.db2.gz SWFOMPWLBHGUFU-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091076202 772511289 /nfs/dbraw/zinc/51/12/89/772511289.db2.gz RJVQTZNLOKBVLB-ABHNRTSZSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC2CCCC2)C1 ZINC001091076202 772511295 /nfs/dbraw/zinc/51/12/95/772511295.db2.gz RJVQTZNLOKBVLB-ABHNRTSZSA-N 2 1 317.477 1.759 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001171215424 772604784 /nfs/dbraw/zinc/60/47/84/772604784.db2.gz CMMXDPNGDCIMTG-ZDUSSCGKSA-N 2 1 320.462 1.557 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001098495369 772614859 /nfs/dbraw/zinc/61/48/59/772614859.db2.gz QVISBLJGZSQXID-CQSZACIVSA-N 2 1 320.437 1.060 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001098495369 772614863 /nfs/dbraw/zinc/61/48/63/772614863.db2.gz QVISBLJGZSQXID-CQSZACIVSA-N 2 1 320.437 1.060 20 30 DDEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001171308512 773159475 /nfs/dbraw/zinc/15/94/75/773159475.db2.gz SXDZFOHGOQJDAI-SJORKVTESA-N 2 1 303.450 1.372 20 30 DDEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001171308512 773159479 /nfs/dbraw/zinc/15/94/79/773159479.db2.gz SXDZFOHGOQJDAI-SJORKVTESA-N 2 1 303.450 1.372 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073605454 773206830 /nfs/dbraw/zinc/20/68/30/773206830.db2.gz KZVJBUHJHDKZPD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605454 773206834 /nfs/dbraw/zinc/20/68/34/773206834.db2.gz KZVJBUHJHDKZPD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605454 773206838 /nfs/dbraw/zinc/20/68/38/773206838.db2.gz KZVJBUHJHDKZPD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899285 773510120 /nfs/dbraw/zinc/51/01/20/773510120.db2.gz PMZVANVXBJWDIJ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899285 773510125 /nfs/dbraw/zinc/51/01/25/773510125.db2.gz PMZVANVXBJWDIJ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899285 773510131 /nfs/dbraw/zinc/51/01/31/773510131.db2.gz PMZVANVXBJWDIJ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148845243 773615535 /nfs/dbraw/zinc/61/55/35/773615535.db2.gz ZYFXMAJCYZRYFS-UHFFFAOYSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148845243 773615538 /nfs/dbraw/zinc/61/55/38/773615538.db2.gz ZYFXMAJCYZRYFS-UHFFFAOYSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148845243 773615543 /nfs/dbraw/zinc/61/55/43/773615543.db2.gz ZYFXMAJCYZRYFS-UHFFFAOYSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086941693 773731018 /nfs/dbraw/zinc/73/10/18/773731018.db2.gz ACMTVSHVIGBSQC-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952385 773741372 /nfs/dbraw/zinc/74/13/72/773741372.db2.gz HOWSYJJYKGJXJB-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910295 773856697 /nfs/dbraw/zinc/85/66/97/773856697.db2.gz QISONERYLIECLU-QAPCUYQASA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974734 773909899 /nfs/dbraw/zinc/90/98/99/773909899.db2.gz SEMGRBXRXPYNKI-AEFFLSMTSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092130099 773955078 /nfs/dbraw/zinc/95/50/78/773955078.db2.gz QKLJOEHXTYDVGN-AEFFLSMTSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137006 774440203 /nfs/dbraw/zinc/44/02/03/774440203.db2.gz IJKYCUAQURTFPJ-ZIAGYGMSSA-N 2 1 300.406 1.079 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001098190321 774510582 /nfs/dbraw/zinc/51/05/82/774510582.db2.gz AJQVZOAKFAYAGO-ZJPYXAASSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098190321 774510586 /nfs/dbraw/zinc/51/05/86/774510586.db2.gz AJQVZOAKFAYAGO-ZJPYXAASSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098190321 774510587 /nfs/dbraw/zinc/51/05/87/774510587.db2.gz AJQVZOAKFAYAGO-ZJPYXAASSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001098190321 774510591 /nfs/dbraw/zinc/51/05/91/774510591.db2.gz AJQVZOAKFAYAGO-ZJPYXAASSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC001093224366 774535934 /nfs/dbraw/zinc/53/59/34/774535934.db2.gz SSKNGZPNNJNEQW-NVXWUHKLSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794662 774643009 /nfs/dbraw/zinc/64/30/09/774643009.db2.gz ZDOBVBAIZWWTKM-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820627 774725301 /nfs/dbraw/zinc/72/53/01/774725301.db2.gz MDRNHFDTKVEAPN-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820627 774725303 /nfs/dbraw/zinc/72/53/03/774725303.db2.gz MDRNHFDTKVEAPN-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820627 774725305 /nfs/dbraw/zinc/72/53/05/774725305.db2.gz MDRNHFDTKVEAPN-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001099060458 774804012 /nfs/dbraw/zinc/80/40/12/774804012.db2.gz ZWYWYZMQJHDQPI-LNLFQRSKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099448428 774995484 /nfs/dbraw/zinc/99/54/84/774995484.db2.gz MKMOROHBNAAJAL-LNLFQRSKSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C(C)C)C1 ZINC001099448428 774995488 /nfs/dbraw/zinc/99/54/88/774995488.db2.gz MKMOROHBNAAJAL-LNLFQRSKSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100346147 776031813 /nfs/dbraw/zinc/03/18/13/776031813.db2.gz SXFGUWJMCJNXIK-NFOMZHRRSA-N 2 1 302.422 1.514 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCF)C2)CC1 ZINC001036902762 776076919 /nfs/dbraw/zinc/07/69/19/776076919.db2.gz PMADKSGCVKYHEJ-SJORKVTESA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100415335 776122704 /nfs/dbraw/zinc/12/27/04/776122704.db2.gz KVERDLDQIZRZEH-JCYILVPMSA-N 2 1 323.456 1.708 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCCF)C1 ZINC001100415335 776122710 /nfs/dbraw/zinc/12/27/10/776122710.db2.gz KVERDLDQIZRZEH-JCYILVPMSA-N 2 1 323.456 1.708 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161332 776201133 /nfs/dbraw/zinc/20/11/33/776201133.db2.gz AKDOKDHBEAYVGH-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161332 776201140 /nfs/dbraw/zinc/20/11/40/776201140.db2.gz AKDOKDHBEAYVGH-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(C(N)=O)cc1)C2 ZINC001172119246 776656140 /nfs/dbraw/zinc/65/61/40/776656140.db2.gz WWSGBCWVSPXPIB-QDMKHBRRSA-N 2 1 300.406 1.506 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001176070995 778011357 /nfs/dbraw/zinc/01/13/57/778011357.db2.gz ATQPAZAWLIANHD-CQSZACIVSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176686169 778212646 /nfs/dbraw/zinc/21/26/46/778212646.db2.gz RQKANDPEYJTJSR-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176686169 778212650 /nfs/dbraw/zinc/21/26/50/778212650.db2.gz RQKANDPEYJTJSR-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177087463 778439902 /nfs/dbraw/zinc/43/99/02/778439902.db2.gz DLSFTTDQBILFOJ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177087463 778439903 /nfs/dbraw/zinc/43/99/03/778439903.db2.gz DLSFTTDQBILFOJ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177133302 778456242 /nfs/dbraw/zinc/45/62/42/778456242.db2.gz ZRHIDTITJOZPOP-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]21 ZINC001177133302 778456247 /nfs/dbraw/zinc/45/62/47/778456247.db2.gz ZRHIDTITJOZPOP-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001177139703 778458703 /nfs/dbraw/zinc/45/87/03/778458703.db2.gz UCZUEZZJYYXMND-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001177139703 778458707 /nfs/dbraw/zinc/45/87/07/778458707.db2.gz UCZUEZZJYYXMND-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001177139703 778458713 /nfs/dbraw/zinc/45/87/13/778458713.db2.gz UCZUEZZJYYXMND-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001177139703 778458717 /nfs/dbraw/zinc/45/87/17/778458717.db2.gz UCZUEZZJYYXMND-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001177416087 778588470 /nfs/dbraw/zinc/58/84/70/778588470.db2.gz UBOLMOVEWXBZSJ-WMZOPIPTSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570859 778949855 /nfs/dbraw/zinc/94/98/55/778949855.db2.gz JIWHZBFTMWWMJG-QZTJIDSGSA-N 2 1 319.493 1.816 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755540 779032443 /nfs/dbraw/zinc/03/24/43/779032443.db2.gz KUQPNNKEGMFQCH-IAGOWNOFSA-N 2 1 323.481 1.051 20 30 DDEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755540 779032451 /nfs/dbraw/zinc/03/24/51/779032451.db2.gz KUQPNNKEGMFQCH-IAGOWNOFSA-N 2 1 323.481 1.051 20 30 DDEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001103755540 779032455 /nfs/dbraw/zinc/03/24/55/779032455.db2.gz KUQPNNKEGMFQCH-IAGOWNOFSA-N 2 1 323.481 1.051 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179421343 779379351 /nfs/dbraw/zinc/37/93/51/779379351.db2.gz UCFURACGIIISEF-QRTARXTBSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855990 779519548 /nfs/dbraw/zinc/51/95/48/779519548.db2.gz VYPANDFOADXMPB-YJBOKZPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111858169 779521390 /nfs/dbraw/zinc/52/13/90/779521390.db2.gz RFTQBKATROFKMZ-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267184897 837489817 /nfs/dbraw/zinc/48/98/17/837489817.db2.gz FNFSKEOJZZMFFM-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c(n1)CCCC2 ZINC001266465332 836298614 /nfs/dbraw/zinc/29/86/14/836298614.db2.gz UHCWRFBAGPGXIK-OAHLLOKOSA-N 2 1 302.422 1.529 20 30 DDEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266611250 836531725 /nfs/dbraw/zinc/53/17/25/836531725.db2.gz BEHJCEBOEAVDQI-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001266611250 836531729 /nfs/dbraw/zinc/53/17/29/836531729.db2.gz BEHJCEBOEAVDQI-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CC=C)CC2)CC1 ZINC001267604146 838420179 /nfs/dbraw/zinc/42/01/79/838420179.db2.gz LXFLIXYHTAIQCU-UHFFFAOYSA-N 2 1 317.477 1.688 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267790921 838985622 /nfs/dbraw/zinc/98/56/22/838985622.db2.gz PYEGIYPCDVSVJX-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001268070644 839646384 /nfs/dbraw/zinc/64/63/84/839646384.db2.gz JEKGMEMQUBWXRI-CYBMUJFWSA-N 2 1 308.426 1.753 20 30 DDEDMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]CC#Cc1ccccc1 ZINC001269515698 841717562 /nfs/dbraw/zinc/71/75/62/841717562.db2.gz HNHJHXHFEXBCHW-SFHVURJKSA-N 2 1 315.461 1.863 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001269766999 842027810 /nfs/dbraw/zinc/02/78/10/842027810.db2.gz ZGXDZVAMEUKCND-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269770815 842031183 /nfs/dbraw/zinc/03/11/83/842031183.db2.gz SYBOVVLINUSFBR-INIZCTEOSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001270308928 842473282 /nfs/dbraw/zinc/47/32/82/842473282.db2.gz OWQSCVGKRVENBD-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCF)CC1 ZINC001270338562 842499002 /nfs/dbraw/zinc/49/90/02/842499002.db2.gz JPWLVNOZFVKDMN-UHFFFAOYSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001326489580 861403752 /nfs/dbraw/zinc/40/37/52/861403752.db2.gz JGGYSJLUQLCFAA-RDJZCZTQSA-N 2 1 313.445 1.928 20 30 DDEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001271292497 843470309 /nfs/dbraw/zinc/47/03/09/843470309.db2.gz BTGLAVUIMJSWER-CVEARBPZSA-N 2 1 316.449 1.508 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148707 848035201 /nfs/dbraw/zinc/03/52/01/848035201.db2.gz NVIWFBOXTMNRAJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148707 848035209 /nfs/dbraw/zinc/03/52/09/848035209.db2.gz NVIWFBOXTMNRAJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148707 848035215 /nfs/dbraw/zinc/03/52/15/848035215.db2.gz NVIWFBOXTMNRAJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148707 848035221 /nfs/dbraw/zinc/03/52/21/848035221.db2.gz NVIWFBOXTMNRAJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244286 861891649 /nfs/dbraw/zinc/89/16/49/861891649.db2.gz MKBFIPGMAACQOE-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244286 861891669 /nfs/dbraw/zinc/89/16/69/861891669.db2.gz MKBFIPGMAACQOE-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP CN(CCC[N@@H+](C)CC#Cc1ccccc1)C(=O)Cc1ncc[nH]1 ZINC001327277876 862024431 /nfs/dbraw/zinc/02/44/31/862024431.db2.gz ZTKMCSYEGNOYFM-UHFFFAOYSA-N 2 1 324.428 1.784 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001273475892 851002569 /nfs/dbraw/zinc/00/25/69/851002569.db2.gz VDXDMDNEDSPUQZ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCN1c2ccccc2[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)C1=O ZINC001273712491 851258652 /nfs/dbraw/zinc/25/86/52/851258652.db2.gz WSSXWQKHTUTNMG-IBGZPJMESA-N 2 1 311.429 1.562 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3cnc(C)[nH]3)C2)C1=O ZINC001274575746 852409449 /nfs/dbraw/zinc/40/94/49/852409449.db2.gz IHQUDZMDBFZOLC-INIZCTEOSA-N 2 1 302.378 1.245 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCCN(Cc3c[nH]c(C)n3)C2)C1=O ZINC001274575746 852409451 /nfs/dbraw/zinc/40/94/51/852409451.db2.gz IHQUDZMDBFZOLC-INIZCTEOSA-N 2 1 302.378 1.245 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001155789527 862450489 /nfs/dbraw/zinc/45/04/89/862450489.db2.gz DQYXXSZXKHSXEO-KRWDZBQOSA-N 2 1 317.408 1.367 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761546 862456358 /nfs/dbraw/zinc/45/63/58/862456358.db2.gz OVQKUGGJMHPIJE-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275950152 854004265 /nfs/dbraw/zinc/00/42/65/854004265.db2.gz RCQLEHMBSYZLAN-CALCHBBNSA-N 2 1 323.444 1.860 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001275950152 854004267 /nfs/dbraw/zinc/00/42/67/854004267.db2.gz RCQLEHMBSYZLAN-CALCHBBNSA-N 2 1 323.444 1.860 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001072822347 857758266 /nfs/dbraw/zinc/75/82/66/857758266.db2.gz CGABNMPGUBCTLN-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001072822347 857758275 /nfs/dbraw/zinc/75/82/75/857758275.db2.gz CGABNMPGUBCTLN-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC=C(C)C)C2 ZINC001072822347 857758277 /nfs/dbraw/zinc/75/82/77/857758277.db2.gz CGABNMPGUBCTLN-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC=C(C)C)C2 ZINC001072822347 857758282 /nfs/dbraw/zinc/75/82/82/857758282.db2.gz CGABNMPGUBCTLN-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC[C@@H](C)F)C2 ZINC001072822538 857758986 /nfs/dbraw/zinc/75/89/86/857758986.db2.gz MHBUDKPUWDSHFQ-CVEARBPZSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC[C@@H](C)F)C2 ZINC001072822538 857758988 /nfs/dbraw/zinc/75/89/88/857758988.db2.gz MHBUDKPUWDSHFQ-CVEARBPZSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC[C@@H](C)F)C2 ZINC001072822538 857758991 /nfs/dbraw/zinc/75/89/91/857758991.db2.gz MHBUDKPUWDSHFQ-CVEARBPZSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC[C@@H](C)F)C2 ZINC001072822538 857758994 /nfs/dbraw/zinc/75/89/94/857758994.db2.gz MHBUDKPUWDSHFQ-CVEARBPZSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001329202908 863535032 /nfs/dbraw/zinc/53/50/32/863535032.db2.gz OVUCOGJAPGGHFE-HZPDHXFCSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329202908 863535041 /nfs/dbraw/zinc/53/50/41/863535041.db2.gz OVUCOGJAPGGHFE-HZPDHXFCSA-N 2 1 301.434 1.625 20 30 DDEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001329550233 863723991 /nfs/dbraw/zinc/72/39/91/863723991.db2.gz RDQTWGGQLGWWCX-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001329550233 863723995 /nfs/dbraw/zinc/72/39/95/863723995.db2.gz RDQTWGGQLGWWCX-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001330244006 864183769 /nfs/dbraw/zinc/18/37/69/864183769.db2.gz IESCROUOUOPABS-CVEARBPZSA-N 2 1 323.481 1.049 20 30 DDEDMP CC[N@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C(C)(C)C1 ZINC001158561764 864728280 /nfs/dbraw/zinc/72/82/80/864728280.db2.gz VFPQZWRLMPZWPO-UHFFFAOYSA-N 2 1 313.449 1.910 20 30 DDEDMP C#CC[N@@H+](C[C@@H]1CCOC1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001331158248 864909585 /nfs/dbraw/zinc/90/95/85/864909585.db2.gz NEUKGWCANVJLJU-IRXDYDNUSA-N 2 1 306.450 1.459 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001158853007 864937296 /nfs/dbraw/zinc/93/72/96/864937296.db2.gz OJPOBYVNRBNAGB-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001331285099 864988378 /nfs/dbraw/zinc/98/83/78/864988378.db2.gz PBLJEGGGJIJKQS-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001331285099 864988388 /nfs/dbraw/zinc/98/83/88/864988388.db2.gz PBLJEGGGJIJKQS-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001331358038 865030115 /nfs/dbraw/zinc/03/01/15/865030115.db2.gz ABUJGOOYKOPBGG-ZWKOTPCHSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)C)C(C)(C)C1 ZINC001332386813 865806189 /nfs/dbraw/zinc/80/61/89/865806189.db2.gz GUYRQKMOOFDXLK-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)C)C(C)(C)C1 ZINC001332386813 865806203 /nfs/dbraw/zinc/80/62/03/865806203.db2.gz GUYRQKMOOFDXLK-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCOC ZINC001332927410 866259006 /nfs/dbraw/zinc/25/90/06/866259006.db2.gz IHHAZOFEAHHZIK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)CCOC ZINC001332927410 866259022 /nfs/dbraw/zinc/25/90/22/866259022.db2.gz IHHAZOFEAHHZIK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)CCOC ZINC001332927410 866259045 /nfs/dbraw/zinc/25/90/45/866259045.db2.gz IHHAZOFEAHHZIK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001323271856 866488997 /nfs/dbraw/zinc/48/89/97/866488997.db2.gz AXHMMFUQYLUNGU-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001323271856 866489001 /nfs/dbraw/zinc/48/90/01/866489001.db2.gz AXHMMFUQYLUNGU-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001323271856 866489006 /nfs/dbraw/zinc/48/90/06/866489006.db2.gz AXHMMFUQYLUNGU-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001333179403 866491044 /nfs/dbraw/zinc/49/10/44/866491044.db2.gz HELBZUQPKFUXHR-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C[C@H](COC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320311233 866632188 /nfs/dbraw/zinc/63/21/88/866632188.db2.gz CLBDCXOHONPCMS-OAHLLOKOSA-N 2 1 307.413 1.868 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)CN(C)Cc1cccnc1 ZINC001322178785 868029228 /nfs/dbraw/zinc/02/92/28/868029228.db2.gz ZWHISICZVOKANN-WBVHZDCISA-N 2 1 314.433 1.116 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=C)Cl)CC1 ZINC001165546063 869636612 /nfs/dbraw/zinc/63/66/12/869636612.db2.gz WZJARRDBOMVUOS-HNNXBMFYSA-N 2 1 323.868 1.713 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=C)Cl)CC1 ZINC001165546063 869636617 /nfs/dbraw/zinc/63/66/17/869636617.db2.gz WZJARRDBOMVUOS-HNNXBMFYSA-N 2 1 323.868 1.713 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001317057210 870179274 /nfs/dbraw/zinc/17/92/74/870179274.db2.gz DVOQZAGYFBVIBY-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001317057210 870179281 /nfs/dbraw/zinc/17/92/81/870179281.db2.gz DVOQZAGYFBVIBY-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001317431514 870823511 /nfs/dbraw/zinc/82/35/11/870823511.db2.gz JTSAWACWWKSIQS-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1)[NH+](CC)CC ZINC001276432342 870860736 /nfs/dbraw/zinc/86/07/36/870860736.db2.gz LVJPHRGSAYMIOJ-WBVHZDCISA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001205339696 871502683 /nfs/dbraw/zinc/50/26/83/871502683.db2.gz KDFBKEFMGCFDHN-OAHLLOKOSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001317844768 871582249 /nfs/dbraw/zinc/58/22/49/871582249.db2.gz DIEHDTAVILUNBN-HNNXBMFYSA-N 2 1 323.400 1.294 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)[C@@H]21 ZINC001316724684 871980369 /nfs/dbraw/zinc/98/03/69/871980369.db2.gz VOGJZFMEHWZCLJ-KBAYOESNSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001316724684 871980381 /nfs/dbraw/zinc/98/03/81/871980381.db2.gz VOGJZFMEHWZCLJ-KBAYOESNSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001316724684 871980396 /nfs/dbraw/zinc/98/03/96/871980396.db2.gz VOGJZFMEHWZCLJ-KBAYOESNSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001206275731 872177396 /nfs/dbraw/zinc/17/73/96/872177396.db2.gz ZQGVPKTUKNRWPQ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001319247374 872518208 /nfs/dbraw/zinc/51/82/08/872518208.db2.gz VYTZMSCZDZOUTB-HIFRSBDPSA-N 2 1 302.422 1.119 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001206955307 872844185 /nfs/dbraw/zinc/84/41/85/872844185.db2.gz QAGJYVGHTXYTLY-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955307 872844191 /nfs/dbraw/zinc/84/41/91/872844191.db2.gz QAGJYVGHTXYTLY-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001206955307 872844195 /nfs/dbraw/zinc/84/41/95/872844195.db2.gz QAGJYVGHTXYTLY-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC ZINC001226860964 882692699 /nfs/dbraw/zinc/69/26/99/882692699.db2.gz WOWWHKXEBOVCMY-ZACQAIPSSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCC ZINC001226860964 882692702 /nfs/dbraw/zinc/69/27/02/882692702.db2.gz WOWWHKXEBOVCMY-ZACQAIPSSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207435587 873266240 /nfs/dbraw/zinc/26/62/40/873266240.db2.gz QNTBSUHALGXAAR-MRXNPFEDSA-N 2 1 319.453 1.399 20 30 DDEDMP C=CCOC[C@@H]1c2nnn(CC)c2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207435587 873266254 /nfs/dbraw/zinc/26/62/54/873266254.db2.gz QNTBSUHALGXAAR-MRXNPFEDSA-N 2 1 319.453 1.399 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331457 874019321 /nfs/dbraw/zinc/01/93/21/874019321.db2.gz SMDUVFCTUTUTFO-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001378127875 874204661 /nfs/dbraw/zinc/20/46/61/874204661.db2.gz GDAUEAIHZCINFJ-YOEHRIQHSA-N 2 1 316.449 1.835 20 30 DDEDMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001378127875 874204671 /nfs/dbraw/zinc/20/46/71/874204671.db2.gz GDAUEAIHZCINFJ-YOEHRIQHSA-N 2 1 316.449 1.835 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211176684 875697129 /nfs/dbraw/zinc/69/71/29/875697129.db2.gz NCCAHZJVKSFJFJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176684 875697134 /nfs/dbraw/zinc/69/71/34/875697134.db2.gz NCCAHZJVKSFJFJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378852299 875772427 /nfs/dbraw/zinc/77/24/27/875772427.db2.gz LJICAMXBMZMQFN-OLZOCXBDSA-N 2 1 320.462 1.508 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434432 875935282 /nfs/dbraw/zinc/93/52/82/875935282.db2.gz BMCGIVXQMKGFEX-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855504 876482126 /nfs/dbraw/zinc/48/21/26/876482126.db2.gz DQXOPZVIFDFVQF-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001215036328 876547021 /nfs/dbraw/zinc/54/70/21/876547021.db2.gz XKIYIANVMIFIRV-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550287 879093332 /nfs/dbraw/zinc/09/33/32/879093332.db2.gz OSDBGQKVFGAYKA-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220550287 879093350 /nfs/dbraw/zinc/09/33/50/879093350.db2.gz OSDBGQKVFGAYKA-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220574598 879108516 /nfs/dbraw/zinc/10/85/16/879108516.db2.gz GHKOSSZLNCWURY-PMPSAXMXSA-N 2 1 311.470 1.090 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221081824 879483870 /nfs/dbraw/zinc/48/38/70/879483870.db2.gz UZGNBQKJTFMIBH-BBWFWOEESA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873224 880126036 /nfs/dbraw/zinc/12/60/36/880126036.db2.gz TXSGIPZYXRUFOQ-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221873224 880126040 /nfs/dbraw/zinc/12/60/40/880126040.db2.gz TXSGIPZYXRUFOQ-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3[nH]ccc3C#N)C[C@H]2CC1 ZINC001276839665 880703682 /nfs/dbraw/zinc/70/36/82/880703682.db2.gz CDSXFZBUWPYDLP-CALCHBBNSA-N 2 1 315.465 1.592 20 30 DDEDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3[nH]ccc3C#N)C[C@H]2CC1 ZINC001276839665 880703685 /nfs/dbraw/zinc/70/36/85/880703685.db2.gz CDSXFZBUWPYDLP-CALCHBBNSA-N 2 1 315.465 1.592 20 30 DDEDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3[nH]ccc3C#N)C[C@H]2CC1 ZINC001276839665 880703690 /nfs/dbraw/zinc/70/36/90/880703690.db2.gz CDSXFZBUWPYDLP-CALCHBBNSA-N 2 1 315.465 1.592 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3[nH]ccc3C#N)C[C@H]2CC1 ZINC001276839665 880703694 /nfs/dbraw/zinc/70/36/94/880703694.db2.gz CDSXFZBUWPYDLP-CALCHBBNSA-N 2 1 315.465 1.592 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3[nH]ccc3C#N)C[C@H]2CC1 ZINC001276839665 880703699 /nfs/dbraw/zinc/70/36/99/880703699.db2.gz CDSXFZBUWPYDLP-CALCHBBNSA-N 2 1 315.465 1.592 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001228619095 883576593 /nfs/dbraw/zinc/57/65/93/883576593.db2.gz UGUYDUFNFCXLAA-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001277413001 884125603 /nfs/dbraw/zinc/12/56/03/884125603.db2.gz IVPXZQPUFPCJSM-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](CCOC)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001277413001 884125611 /nfs/dbraw/zinc/12/56/11/884125611.db2.gz IVPXZQPUFPCJSM-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](CCOC)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001277413001 884125618 /nfs/dbraw/zinc/12/56/18/884125618.db2.gz IVPXZQPUFPCJSM-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCCC[N@@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235276605 888522478 /nfs/dbraw/zinc/52/24/78/888522478.db2.gz TTYFWUVKRNTTNQ-KGLIPLIRSA-N 2 1 318.339 1.417 20 30 DDEDMP C#CCCC[N@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235276605 888522484 /nfs/dbraw/zinc/52/24/84/888522484.db2.gz TTYFWUVKRNTTNQ-KGLIPLIRSA-N 2 1 318.339 1.417 20 30 DDEDMP N#CCCC[NH+]1CCC2(CC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001277945363 888643130 /nfs/dbraw/zinc/64/31/30/888643130.db2.gz YAZWAPMMIQFIJR-UHFFFAOYSA-N 2 1 301.438 1.975 20 30 DDEDMP CN(C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2CC#N)C1 ZINC001235526744 888712312 /nfs/dbraw/zinc/71/23/12/888712312.db2.gz FTFKOLUGPWBBAZ-QGZVFWFLSA-N 2 1 314.433 1.395 20 30 DDEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235526744 888712316 /nfs/dbraw/zinc/71/23/16/888712316.db2.gz FTFKOLUGPWBBAZ-QGZVFWFLSA-N 2 1 314.433 1.395 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001235661355 888855800 /nfs/dbraw/zinc/85/58/00/888855800.db2.gz MFZCKSKGEOTYIZ-HKUYNNGSSA-N 2 1 315.461 1.908 20 30 DDEDMP C[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277960707 888867783 /nfs/dbraw/zinc/86/77/83/888867783.db2.gz LOFOZTIGEIBCGN-OAHLLOKOSA-N 2 1 316.449 1.565 20 30 DDEDMP C[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277960704 888868407 /nfs/dbraw/zinc/86/84/07/888868407.db2.gz LOFOZTIGEIBCGN-HNNXBMFYSA-N 2 1 316.449 1.565 20 30 DDEDMP Cn1cc(C[N@H+]2C[C@@H]3CCN(CCC[NH+](C)C)[C@@H]3C2)cc1C#N ZINC001278049735 889497907 /nfs/dbraw/zinc/49/79/07/889497907.db2.gz PKJLNUHAECWLQA-FUHWJXTLSA-N 2 1 315.465 1.355 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH2+]C23CC(C(=O)N4CC(CC#N)C4)(C2)C3)C1 ZINC001278149140 889867585 /nfs/dbraw/zinc/86/75/85/889867585.db2.gz XSVRMAHDWCRIMV-RWBZWWBESA-N 2 1 316.449 1.213 20 30 DDEDMP CC1(C[NH3+])C[NH+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001246590314 892717337 /nfs/dbraw/zinc/71/73/37/892717337.db2.gz SGQGMVJEFFPFNH-UHFFFAOYSA-N 2 1 312.417 1.443 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278519540 894047314 /nfs/dbraw/zinc/04/73/14/894047314.db2.gz RVMZCHIYCNNASY-KRWDZBQOSA-N 2 1 318.421 1.201 20 30 DDEDMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001278562139 894248009 /nfs/dbraw/zinc/24/80/09/894248009.db2.gz MAGRZPQGCGDLKC-GOSISDBHSA-N 2 1 323.481 1.503 20 30 DDEDMP C=CCOCc1nn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c1C[NH2+]C2 ZINC001256623340 897510326 /nfs/dbraw/zinc/51/03/26/897510326.db2.gz IRIMYQASMAKBJC-PBWFPOADSA-N 2 1 302.422 1.987 20 30 DDEDMP C=C1C[C@@H]2CC(NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)OC)C[C@H](C1)C2 ZINC001257888456 897969947 /nfs/dbraw/zinc/96/99/47/897969947.db2.gz NVWOITLEMPBLMX-IXXDHKBRSA-N 2 1 322.453 1.516 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001390501945 899554485 /nfs/dbraw/zinc/55/44/85/899554485.db2.gz BZVVKLVUGICGIE-AWEZNQCLSA-N 2 1 302.422 1.494 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001264115108 900950460 /nfs/dbraw/zinc/95/04/60/900950460.db2.gz QTVBNJVCUCTVHT-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001264115108 900950476 /nfs/dbraw/zinc/95/04/76/900950476.db2.gz QTVBNJVCUCTVHT-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264685575 901284438 /nfs/dbraw/zinc/28/44/38/901284438.db2.gz LLDGNGZAWWJOHZ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001369442034 901304539 /nfs/dbraw/zinc/30/45/39/901304539.db2.gz KJIKDPXPJWFTPY-ZIAGYGMSSA-N 2 1 301.862 1.955 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265224387 901739753 /nfs/dbraw/zinc/73/97/53/901739753.db2.gz BZRRLPVTBIRIAN-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265224387 901739766 /nfs/dbraw/zinc/73/97/66/901739766.db2.gz BZRRLPVTBIRIAN-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265224387 901739779 /nfs/dbraw/zinc/73/97/79/901739779.db2.gz BZRRLPVTBIRIAN-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265235881 901757895 /nfs/dbraw/zinc/75/78/95/901757895.db2.gz YJGYDZPZRBVQNU-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001265628450 902222174 /nfs/dbraw/zinc/22/21/74/902222174.db2.gz XHDJEGNDCCEKDT-KRWDZBQOSA-N 2 1 323.481 1.503 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266207203 903110474 /nfs/dbraw/zinc/11/04/74/903110474.db2.gz IXSHVPIUWPHAIZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266207203 903110480 /nfs/dbraw/zinc/11/04/80/903110480.db2.gz IXSHVPIUWPHAIZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266207203 903110487 /nfs/dbraw/zinc/11/04/87/903110487.db2.gz IXSHVPIUWPHAIZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266207203 903110492 /nfs/dbraw/zinc/11/04/92/903110492.db2.gz IXSHVPIUWPHAIZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001282321375 905683277 /nfs/dbraw/zinc/68/32/77/905683277.db2.gz QEOCJYYVSCLHQZ-OAHLLOKOSA-N 2 1 316.449 1.461 20 30 DDEDMP C=CCOCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282677720 905941273 /nfs/dbraw/zinc/94/12/73/905941273.db2.gz FTUZOUIXXFRLGR-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282677720 905941286 /nfs/dbraw/zinc/94/12/86/905941286.db2.gz FTUZOUIXXFRLGR-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282677720 905941306 /nfs/dbraw/zinc/94/13/06/905941306.db2.gz FTUZOUIXXFRLGR-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001282702328 905965069 /nfs/dbraw/zinc/96/50/69/905965069.db2.gz ZNLMCWOWFXTLJM-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001282702328 905965082 /nfs/dbraw/zinc/96/50/82/905965082.db2.gz ZNLMCWOWFXTLJM-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001282780660 906030054 /nfs/dbraw/zinc/03/00/54/906030054.db2.gz CXYNKYPIPPYCRU-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001282780660 906030067 /nfs/dbraw/zinc/03/00/67/906030067.db2.gz CXYNKYPIPPYCRU-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001282780660 906030074 /nfs/dbraw/zinc/03/00/74/906030074.db2.gz CXYNKYPIPPYCRU-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001284154388 908560325 /nfs/dbraw/zinc/56/03/25/908560325.db2.gz OFUAYGPCIBXFEY-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001284154388 908560333 /nfs/dbraw/zinc/56/03/33/908560333.db2.gz OFUAYGPCIBXFEY-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000108575888 353954481 /nfs/dbraw/zinc/95/44/81/353954481.db2.gz SYVUPUVUCLRSCT-QGZVFWFLSA-N 2 1 320.481 1.810 20 30 DDEDMP N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000595895651 356694858 /nfs/dbraw/zinc/69/48/58/356694858.db2.gz RLPBELWBVSFIBK-QGZVFWFLSA-N 2 1 314.433 1.420 20 30 DDEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598588879 357643112 /nfs/dbraw/zinc/64/31/12/357643112.db2.gz PEMPSJSQVQDASC-IRXDYDNUSA-N 2 1 322.497 1.389 20 30 DDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598588879 357643116 /nfs/dbraw/zinc/64/31/16/357643116.db2.gz PEMPSJSQVQDASC-IRXDYDNUSA-N 2 1 322.497 1.389 20 30 DDEDMP C[N@H+](Cc1cccc(C#N)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602654586 359104836 /nfs/dbraw/zinc/10/48/36/359104836.db2.gz DBHSCSAEVUJADW-SFHVURJKSA-N 2 1 313.449 1.554 20 30 DDEDMP C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602654586 359104841 /nfs/dbraw/zinc/10/48/41/359104841.db2.gz DBHSCSAEVUJADW-SFHVURJKSA-N 2 1 313.449 1.554 20 30 DDEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000602596090 359061813 /nfs/dbraw/zinc/06/18/13/359061813.db2.gz GMDGJZQUDNEPCT-LJQANCHMSA-N 2 1 322.412 1.810 20 30 DDEDMP N#Cc1cccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000602596090 359061816 /nfs/dbraw/zinc/06/18/16/359061816.db2.gz GMDGJZQUDNEPCT-LJQANCHMSA-N 2 1 322.412 1.810 20 30 DDEDMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000193613976 201088145 /nfs/dbraw/zinc/08/81/45/201088145.db2.gz KMCCFFIFJWAHKZ-CALCHBBNSA-N 2 1 321.428 1.952 20 30 DDEDMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000193613976 201088147 /nfs/dbraw/zinc/08/81/47/201088147.db2.gz KMCCFFIFJWAHKZ-CALCHBBNSA-N 2 1 321.428 1.952 20 30 DDEDMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000193613976 201088152 /nfs/dbraw/zinc/08/81/52/201088152.db2.gz KMCCFFIFJWAHKZ-CALCHBBNSA-N 2 1 321.428 1.952 20 30 DDEDMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000193613976 201088154 /nfs/dbraw/zinc/08/81/54/201088154.db2.gz KMCCFFIFJWAHKZ-CALCHBBNSA-N 2 1 321.428 1.952 20 30 DDEDMP Cc1ccc(NC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)cc1C ZINC000170912709 407554769 /nfs/dbraw/zinc/55/47/69/407554769.db2.gz OPDUEFFSQIYYBR-UHFFFAOYSA-N 2 1 317.437 1.194 20 30 DDEDMP C=C(C)CN(CC)C(=O)CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129188668 407594698 /nfs/dbraw/zinc/59/46/98/407594698.db2.gz JSOIYHSAQXTNOW-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000153117940 407756238 /nfs/dbraw/zinc/75/62/38/407756238.db2.gz SUJBIFQOOOORIX-OAHLLOKOSA-N 2 1 311.495 1.580 20 30 DDEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000292039154 408968063 /nfs/dbraw/zinc/96/80/63/408968063.db2.gz AIUZASXZLJWMEQ-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000292039154 408968065 /nfs/dbraw/zinc/96/80/65/408968065.db2.gz AIUZASXZLJWMEQ-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000292039154 408968067 /nfs/dbraw/zinc/96/80/67/408968067.db2.gz AIUZASXZLJWMEQ-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000295060077 409311580 /nfs/dbraw/zinc/31/15/80/409311580.db2.gz RBRWKQJNGQMVJN-LBPRGKRZSA-N 2 1 313.243 1.579 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000295060077 409311583 /nfs/dbraw/zinc/31/15/83/409311583.db2.gz RBRWKQJNGQMVJN-LBPRGKRZSA-N 2 1 313.243 1.579 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000356975407 409761937 /nfs/dbraw/zinc/76/19/37/409761937.db2.gz AZDDGOLXVMSHRK-MRXNPFEDSA-N 2 1 306.454 1.412 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000356975407 409761940 /nfs/dbraw/zinc/76/19/40/409761940.db2.gz AZDDGOLXVMSHRK-MRXNPFEDSA-N 2 1 306.454 1.412 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000356975407 409761943 /nfs/dbraw/zinc/76/19/43/409761943.db2.gz AZDDGOLXVMSHRK-MRXNPFEDSA-N 2 1 306.454 1.412 20 30 DDEDMP O=C(NC[C@@H]1CCCn2ccnc21)[C@H]1C[N@H+]2CCN1CCC2 ZINC000328963185 410023520 /nfs/dbraw/zinc/02/35/20/410023520.db2.gz RESDNPOYKOMQHF-UONOGXRCSA-N 2 1 303.410 1.107 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000246659402 222223903 /nfs/dbraw/zinc/22/39/03/222223903.db2.gz DECPFKPNGCWFGJ-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP CCNC(NCc1ccc(C[NH+]2CCN(C)CC2)cc1)=[NH+]CC ZINC000264134915 222324081 /nfs/dbraw/zinc/32/40/81/222324081.db2.gz VBBTWZZJQWVHKB-UHFFFAOYSA-N 2 1 317.481 1.509 20 30 DDEDMP CC[NH+]=C(NCc1c(C)noc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262010066 222269625 /nfs/dbraw/zinc/26/96/25/222269625.db2.gz WKYKCEVJOCDXFM-MEDUHNTESA-N 2 1 319.453 1.829 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262481626 222283386 /nfs/dbraw/zinc/28/33/86/222283386.db2.gz RQTMDYMESKDYGN-ZNMIVQPWSA-N 2 1 310.486 1.778 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264101919 222318658 /nfs/dbraw/zinc/31/86/58/222318658.db2.gz ONMZJSPPHSRSDK-MRXNPFEDSA-N 2 1 304.438 1.102 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000361813409 418713347 /nfs/dbraw/zinc/71/33/47/418713347.db2.gz MBSWJWWNTDDSLQ-DLBZAZTESA-N 2 1 316.449 1.557 20 30 DDEDMP C[C@@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418616984 419902791 /nfs/dbraw/zinc/90/27/91/419902791.db2.gz LXKFKMLMLJIUEZ-AWEZNQCLSA-N 2 1 315.421 1.123 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458336005 420646386 /nfs/dbraw/zinc/64/63/86/420646386.db2.gz OXEQBVPLIJCLDH-GOSISDBHSA-N 2 1 320.481 1.764 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000490657390 421193148 /nfs/dbraw/zinc/19/31/48/421193148.db2.gz VTSXJVQWXKAWDW-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000491308081 421196340 /nfs/dbraw/zinc/19/63/40/421196340.db2.gz SKNKMPTWQZYNGK-ULQDDVLXSA-N 2 1 323.481 1.192 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000491308081 421196344 /nfs/dbraw/zinc/19/63/44/421196344.db2.gz SKNKMPTWQZYNGK-ULQDDVLXSA-N 2 1 323.481 1.192 20 30 DDEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)CCC#N)C2)CC1 ZINC000569931990 421628675 /nfs/dbraw/zinc/62/86/75/421628675.db2.gz RXPKDTISBOUDMJ-AEFFLSMTSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)CCC#N)C2)CC1 ZINC000569931990 421628676 /nfs/dbraw/zinc/62/86/76/421628676.db2.gz RXPKDTISBOUDMJ-AEFFLSMTSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)CCC#N)C2)CC1 ZINC000569931990 421628680 /nfs/dbraw/zinc/62/86/80/421628680.db2.gz RXPKDTISBOUDMJ-AEFFLSMTSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)CCC#N)C2)CC1 ZINC000569931990 421628682 /nfs/dbraw/zinc/62/86/82/421628682.db2.gz RXPKDTISBOUDMJ-AEFFLSMTSA-N 2 1 320.481 1.945 20 30 DDEDMP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000519699973 421718996 /nfs/dbraw/zinc/71/89/96/421718996.db2.gz OKUMMRRDLOEXAV-RHSMWYFYSA-N 2 1 315.417 1.538 20 30 DDEDMP C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](C)[C@H]2CO)[C@@H]1CO ZINC000640058411 424142176 /nfs/dbraw/zinc/14/21/76/424142176.db2.gz HNIIMBXGXAGSNK-BRSBDYLESA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[C@]1(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CCC[NH2+]1 ZINC000662809080 424775910 /nfs/dbraw/zinc/77/59/10/424775910.db2.gz DHOGBDCZTSOODP-QGZVFWFLSA-N 2 1 317.437 1.203 20 30 DDEDMP C=CC[C@@]1(C(=O)N2CC[NH+](C(C)(C)COC)CC2)CCC[NH2+]1 ZINC000662821379 424778890 /nfs/dbraw/zinc/77/88/90/424778890.db2.gz YGVOLIVEDXBPEI-KRWDZBQOSA-N 2 1 309.454 1.254 20 30 DDEDMP C(#CC[N@@H+]1CCC[C@H]2COC[C@H]21)C[NH+]1CCC[C@H]2COC[C@H]21 ZINC000367464314 275388745 /nfs/dbraw/zinc/38/87/45/275388745.db2.gz RNRUBSBSSXGEPF-WNRNVDISSA-N 2 1 304.434 1.211 20 30 DDEDMP C(#CC[N@H+]1CCC[C@H]2COC[C@H]21)C[NH+]1CCC[C@H]2COC[C@H]21 ZINC000367464314 275388746 /nfs/dbraw/zinc/38/87/46/275388746.db2.gz RNRUBSBSSXGEPF-WNRNVDISSA-N 2 1 304.434 1.211 20 30 DDEDMP CN(CCC[N@@H+](C)Cc1ccc(OCC#N)cc1)CC[NH+](C)C ZINC000289368945 289133110 /nfs/dbraw/zinc/13/31/10/289133110.db2.gz ICQBJXWNDFTNOD-UHFFFAOYSA-N 2 1 318.465 1.904 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1OC ZINC000271802077 334027330 /nfs/dbraw/zinc/02/73/30/334027330.db2.gz LIXHOACUGFFWJX-UHFFFAOYSA-N 2 1 304.394 1.692 20 30 DDEDMP CCN(C[C@@H](C)C#N)C(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000245435770 341293708 /nfs/dbraw/zinc/29/37/08/341293708.db2.gz DBLASNBOONGLPP-JKSUJKDBSA-N 2 1 308.470 1.801 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1 ZINC000551736097 341350147 /nfs/dbraw/zinc/35/01/47/341350147.db2.gz VMFVWSJZLCAORF-OPMHRUBESA-N 2 1 308.466 1.460 20 30 DDEDMP C(#CC[N@H+]1CCC12CCOCC2)C[NH+]1CCC12CCOCC2 ZINC000671243864 484979715 /nfs/dbraw/zinc/97/97/15/484979715.db2.gz VUEAGNJVJRXOCS-UHFFFAOYSA-N 2 1 304.434 1.500 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000491713954 526812592 /nfs/dbraw/zinc/81/25/92/526812592.db2.gz LIHXLYFDXABMAK-UHFFFAOYSA-N 2 1 320.481 1.648 20 30 DDEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001120834950 782172980 /nfs/dbraw/zinc/17/29/80/782172980.db2.gz REXCJELFZWYOGR-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971777590 695089708 /nfs/dbraw/zinc/08/97/08/695089708.db2.gz GLCNCYWLNVQGBM-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000972340785 695221222 /nfs/dbraw/zinc/22/12/22/695221222.db2.gz UAUGGAUATSTNCX-CQSZACIVSA-N 2 1 316.405 1.050 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000972340785 695221223 /nfs/dbraw/zinc/22/12/23/695221223.db2.gz UAUGGAUATSTNCX-CQSZACIVSA-N 2 1 316.405 1.050 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761253 695729286 /nfs/dbraw/zinc/72/92/86/695729286.db2.gz UIJZAMOORBWLST-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761253 695729288 /nfs/dbraw/zinc/72/92/88/695729288.db2.gz UIJZAMOORBWLST-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761253 695729291 /nfs/dbraw/zinc/72/92/91/695729291.db2.gz UIJZAMOORBWLST-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978418616 696379765 /nfs/dbraw/zinc/37/97/65/696379765.db2.gz URDTYOMNMMPPHQ-ZJPYXAASSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978418616 696379769 /nfs/dbraw/zinc/37/97/69/696379769.db2.gz URDTYOMNMMPPHQ-ZJPYXAASSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978418616 696379771 /nfs/dbraw/zinc/37/97/71/696379771.db2.gz URDTYOMNMMPPHQ-ZJPYXAASSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978731864 696448463 /nfs/dbraw/zinc/44/84/63/696448463.db2.gz FASWOCBCPVYBJA-DZUCGIPZSA-N 2 1 314.433 1.234 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978731864 696448465 /nfs/dbraw/zinc/44/84/65/696448465.db2.gz FASWOCBCPVYBJA-DZUCGIPZSA-N 2 1 314.433 1.234 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981779218 696912824 /nfs/dbraw/zinc/91/28/24/696912824.db2.gz XYHXEAFNIONYEN-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981779218 696912826 /nfs/dbraw/zinc/91/28/26/696912826.db2.gz XYHXEAFNIONYEN-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981779218 696912827 /nfs/dbraw/zinc/91/28/27/696912827.db2.gz XYHXEAFNIONYEN-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152470 697019301 /nfs/dbraw/zinc/01/93/01/697019301.db2.gz JXSDBWCDGZCHFQ-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152470 697019304 /nfs/dbraw/zinc/01/93/04/697019304.db2.gz JXSDBWCDGZCHFQ-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000981152470 697019307 /nfs/dbraw/zinc/01/93/07/697019307.db2.gz JXSDBWCDGZCHFQ-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981152470 697019310 /nfs/dbraw/zinc/01/93/10/697019310.db2.gz JXSDBWCDGZCHFQ-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000981482702 697107772 /nfs/dbraw/zinc/10/77/72/697107772.db2.gz AHWGLXDJRBFKOX-HNNXBMFYSA-N 2 1 314.433 1.381 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000981482702 697107773 /nfs/dbraw/zinc/10/77/73/697107773.db2.gz AHWGLXDJRBFKOX-HNNXBMFYSA-N 2 1 314.433 1.381 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982507029 697141800 /nfs/dbraw/zinc/14/18/00/697141800.db2.gz KSTOHQYVCVPENG-KDURUIRLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831510 697183491 /nfs/dbraw/zinc/18/34/91/697183491.db2.gz NECHQKHCPMWVQC-AMBYYYRHSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831510 697183492 /nfs/dbraw/zinc/18/34/92/697183492.db2.gz NECHQKHCPMWVQC-AMBYYYRHSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831510 697183493 /nfs/dbraw/zinc/18/34/93/697183493.db2.gz NECHQKHCPMWVQC-AMBYYYRHSA-N 2 1 317.477 1.663 20 30 DDEDMP CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779805016 698469173 /nfs/dbraw/zinc/46/91/73/698469173.db2.gz IQMPWRQPFARCBS-BBRMVZONSA-N 2 1 315.421 1.201 20 30 DDEDMP CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779805016 698469176 /nfs/dbraw/zinc/46/91/76/698469176.db2.gz IQMPWRQPFARCBS-BBRMVZONSA-N 2 1 315.421 1.201 20 30 DDEDMP C[C@H](CNC(=[NH2+])NCCc1cccs1)CN1CC[NH+](C)CC1 ZINC000303878169 698608240 /nfs/dbraw/zinc/60/82/40/698608240.db2.gz JAUSTRAKNJJCJE-CQSZACIVSA-N 2 1 323.510 1.078 20 30 DDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000303971126 698611878 /nfs/dbraw/zinc/61/18/78/698611878.db2.gz DFYCFJYZSZZWHA-AWEZNQCLSA-N 2 1 306.410 1.533 20 30 DDEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000304765248 698625051 /nfs/dbraw/zinc/62/50/51/698625051.db2.gz YZJCFQRAVKEPJJ-UKRRQHHQSA-N 2 1 302.422 1.756 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355453 699304759 /nfs/dbraw/zinc/30/47/59/699304759.db2.gz BKKXFNZHHQJQOR-CBZIJGRNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355453 699304761 /nfs/dbraw/zinc/30/47/61/699304761.db2.gz BKKXFNZHHQJQOR-CBZIJGRNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355453 699304762 /nfs/dbraw/zinc/30/47/62/699304762.db2.gz BKKXFNZHHQJQOR-CBZIJGRNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355453 699304764 /nfs/dbraw/zinc/30/47/64/699304764.db2.gz BKKXFNZHHQJQOR-CBZIJGRNSA-N 2 1 321.465 1.395 20 30 DDEDMP C#C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000847020986 703367133 /nfs/dbraw/zinc/36/71/33/703367133.db2.gz HDLBTLBQJTZKJH-AEFFLSMTSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CCOCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000852039243 703909718 /nfs/dbraw/zinc/90/97/18/703909718.db2.gz LNQNMWKBIFHWKG-UHFFFAOYSA-N 2 1 315.461 1.386 20 30 DDEDMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000852867882 704154177 /nfs/dbraw/zinc/15/41/77/704154177.db2.gz GCHVXBROISJGSS-MRXNPFEDSA-N 2 1 313.445 1.626 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000853115104 704199887 /nfs/dbraw/zinc/19/98/87/704199887.db2.gz DUUAPEOQJBYOQC-MSOLQXFVSA-N 2 1 315.417 1.435 20 30 DDEDMP C#CCOCC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856583781 704532928 /nfs/dbraw/zinc/53/29/28/704532928.db2.gz SGTVCAVRHRSCCO-GOSISDBHSA-N 2 1 317.433 1.636 20 30 DDEDMP C#CCOCC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583781 704532929 /nfs/dbraw/zinc/53/29/29/704532929.db2.gz SGTVCAVRHRSCCO-GOSISDBHSA-N 2 1 317.433 1.636 20 30 DDEDMP C#CCOCC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583781 704532930 /nfs/dbraw/zinc/53/29/30/704532930.db2.gz SGTVCAVRHRSCCO-GOSISDBHSA-N 2 1 317.433 1.636 20 30 DDEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@@H]21 ZINC000877248536 706033663 /nfs/dbraw/zinc/03/36/63/706033663.db2.gz BDFUSURMXDEMTH-NJAFHUGGSA-N 2 1 324.428 1.298 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884204348 708188842 /nfs/dbraw/zinc/18/88/42/708188842.db2.gz TZPKBKGRHPVMKD-CTMQZQKCSA-N 2 1 318.465 1.362 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000884261361 708214660 /nfs/dbraw/zinc/21/46/60/708214660.db2.gz JYKQHIWOMTUCCP-GDBMZVCRSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000884261361 708214662 /nfs/dbraw/zinc/21/46/62/708214662.db2.gz JYKQHIWOMTUCCP-GDBMZVCRSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C2=CC[NH+](C)CC2)C1 ZINC000884261361 708214664 /nfs/dbraw/zinc/21/46/64/708214664.db2.gz JYKQHIWOMTUCCP-GDBMZVCRSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000884261361 708214667 /nfs/dbraw/zinc/21/46/67/708214667.db2.gz JYKQHIWOMTUCCP-GDBMZVCRSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000884261361 708214671 /nfs/dbraw/zinc/21/46/71/708214671.db2.gz JYKQHIWOMTUCCP-GDBMZVCRSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000884396814 708279640 /nfs/dbraw/zinc/27/96/40/708279640.db2.gz NWJGEOMXNHJOHT-HNSVSWJLSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000884396814 708279642 /nfs/dbraw/zinc/27/96/42/708279642.db2.gz NWJGEOMXNHJOHT-HNSVSWJLSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000884396814 708279646 /nfs/dbraw/zinc/27/96/46/708279646.db2.gz NWJGEOMXNHJOHT-HNSVSWJLSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000884396814 708279649 /nfs/dbraw/zinc/27/96/49/708279649.db2.gz NWJGEOMXNHJOHT-HNSVSWJLSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900797516 709762971 /nfs/dbraw/zinc/76/29/71/709762971.db2.gz FSZSJJUSGWIXBA-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000890363373 709835784 /nfs/dbraw/zinc/83/57/84/709835784.db2.gz NGVILELOTHVGFH-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000890363373 709835788 /nfs/dbraw/zinc/83/57/88/709835788.db2.gz NGVILELOTHVGFH-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC)CCC[NH+]2CCCC2)C1 ZINC000890367710 709840590 /nfs/dbraw/zinc/84/05/90/709840590.db2.gz SBQPSROZUQJSIM-QGZVFWFLSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC)CCC[NH+]2CCCC2)C1 ZINC000890367710 709840595 /nfs/dbraw/zinc/84/05/95/709840595.db2.gz SBQPSROZUQJSIM-QGZVFWFLSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000890372877 709844396 /nfs/dbraw/zinc/84/43/96/709844396.db2.gz NGXIYYALAYNEDA-HOTGVXAUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000890372877 709844400 /nfs/dbraw/zinc/84/44/00/709844400.db2.gz NGXIYYALAYNEDA-HOTGVXAUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000890372879 709844765 /nfs/dbraw/zinc/84/47/65/709844765.db2.gz NGXIYYALAYNEDA-JKSUJKDBSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000890372879 709844770 /nfs/dbraw/zinc/84/47/70/709844770.db2.gz NGXIYYALAYNEDA-JKSUJKDBSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000928658142 713255377 /nfs/dbraw/zinc/25/53/77/713255377.db2.gz MEQZHPULWJKTBP-SFHVURJKSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCSCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000896041847 711667404 /nfs/dbraw/zinc/66/74/04/711667404.db2.gz CECMNOBZOGVHNR-HNNXBMFYSA-N 2 1 311.495 1.227 20 30 DDEDMP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000931356011 714075031 /nfs/dbraw/zinc/07/50/31/714075031.db2.gz XZTQULBOMYGJFH-HNNXBMFYSA-N 2 1 309.454 1.474 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923354241 714324559 /nfs/dbraw/zinc/32/45/59/714324559.db2.gz BANDJDXLPKNVCR-FUHWJXTLSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923354241 714324562 /nfs/dbraw/zinc/32/45/62/714324562.db2.gz BANDJDXLPKNVCR-FUHWJXTLSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCF)CC1(C)C ZINC000940807445 716969502 /nfs/dbraw/zinc/96/95/02/716969502.db2.gz PECCLVBXOXSHDP-JKSUJKDBSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCF)CC1(C)C ZINC000940807445 716969505 /nfs/dbraw/zinc/96/95/05/716969505.db2.gz PECCLVBXOXSHDP-JKSUJKDBSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCF)CC1(C)C ZINC000940807445 716969509 /nfs/dbraw/zinc/96/95/09/716969509.db2.gz PECCLVBXOXSHDP-JKSUJKDBSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCF)CC1(C)C ZINC000940807445 716969513 /nfs/dbraw/zinc/96/95/13/716969513.db2.gz PECCLVBXOXSHDP-JKSUJKDBSA-N 2 1 323.456 1.660 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941122987 717110920 /nfs/dbraw/zinc/11/09/20/717110920.db2.gz DICOZWHSOISTGU-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(C)C)C[C@H]32)CC1 ZINC000962781878 717587460 /nfs/dbraw/zinc/58/74/60/717587460.db2.gz VABPVSGCGVLKOF-FVQHAEBGSA-N 2 1 303.450 1.034 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942519068 717715227 /nfs/dbraw/zinc/71/52/27/717715227.db2.gz YVZFSVUWWKAGAE-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942519068 717715232 /nfs/dbraw/zinc/71/52/32/717715232.db2.gz YVZFSVUWWKAGAE-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943287919 718067430 /nfs/dbraw/zinc/06/74/30/718067430.db2.gz LKLFIFZPKFUGBY-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943290462 718069408 /nfs/dbraw/zinc/06/94/08/718069408.db2.gz YASAAEJVIFNFLD-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943290462 718069410 /nfs/dbraw/zinc/06/94/10/718069410.db2.gz YASAAEJVIFNFLD-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC=C)C[C@H]2C)CC1 ZINC000945178757 718415159 /nfs/dbraw/zinc/41/51/59/718415159.db2.gz GVZKILAFQRFZTQ-SJLPKXTDSA-N 2 1 317.477 1.734 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765775 718901989 /nfs/dbraw/zinc/90/19/89/718901989.db2.gz XRRQBRWEFPQKKB-FGTMMUONSA-N 2 1 319.493 1.766 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946895002 718938429 /nfs/dbraw/zinc/93/84/29/718938429.db2.gz NKDWGRQOUCCGHP-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000947318778 719118185 /nfs/dbraw/zinc/11/81/85/719118185.db2.gz LKDHMTOWSAYJCH-LSDHHAIUSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947505763 719190782 /nfs/dbraw/zinc/19/07/82/719190782.db2.gz DWYLAWBWGHZFLH-GDBMZVCRSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947662361 719238843 /nfs/dbraw/zinc/23/88/43/719238843.db2.gz HLSHHQFHRFCJNB-ZBFHGGJFSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968376662 719543251 /nfs/dbraw/zinc/54/32/51/719543251.db2.gz BIAURRCNLJNPEQ-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379367 719544868 /nfs/dbraw/zinc/54/48/68/719544868.db2.gz XJLMENVJNTZGPW-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379367 719544872 /nfs/dbraw/zinc/54/48/72/719544872.db2.gz XJLMENVJNTZGPW-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968796236 719792073 /nfs/dbraw/zinc/79/20/73/719792073.db2.gz GICNLHQZKRZFDL-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968796236 719792076 /nfs/dbraw/zinc/79/20/76/719792076.db2.gz GICNLHQZKRZFDL-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796236 719792079 /nfs/dbraw/zinc/79/20/79/719792079.db2.gz GICNLHQZKRZFDL-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796236 719792084 /nfs/dbraw/zinc/79/20/84/719792084.db2.gz GICNLHQZKRZFDL-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000968925339 719875696 /nfs/dbraw/zinc/87/56/96/719875696.db2.gz AMBXUOUBFPEXFK-CVEARBPZSA-N 2 1 314.433 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000968954617 719896533 /nfs/dbraw/zinc/89/65/33/719896533.db2.gz NLLKOPPXZISJCR-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000968954617 719896544 /nfs/dbraw/zinc/89/65/44/719896544.db2.gz NLLKOPPXZISJCR-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829562 720314236 /nfs/dbraw/zinc/31/42/36/720314236.db2.gz CQJNIMKVZFAVOO-CVEARBPZSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560691 735311372 /nfs/dbraw/zinc/31/13/72/735311372.db2.gz UKVIYWWBSVEOTN-OAHLLOKOSA-N 2 1 317.433 1.806 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678192 735391942 /nfs/dbraw/zinc/39/19/42/735391942.db2.gz RBEYPZGPIDRSGY-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689797 735475854 /nfs/dbraw/zinc/47/58/54/735475854.db2.gz ZWXFXSHTWRXAER-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470768 732328199 /nfs/dbraw/zinc/32/81/99/732328199.db2.gz SRQUSQQVQCVQNA-WMZOPIPTSA-N 2 1 316.449 1.986 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001167224158 732840375 /nfs/dbraw/zinc/84/03/75/732840375.db2.gz FSGZNGGGAPRTLS-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214332 733252255 /nfs/dbraw/zinc/25/22/55/733252255.db2.gz OFJALPZKTIMOLL-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214332 733252257 /nfs/dbraw/zinc/25/22/57/733252257.db2.gz OFJALPZKTIMOLL-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214332 733252259 /nfs/dbraw/zinc/25/22/59/733252259.db2.gz OFJALPZKTIMOLL-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351922 733274392 /nfs/dbraw/zinc/27/43/92/733274392.db2.gz SSPIWUCIZSEOMA-UHFFFAOYSA-N 2 1 316.449 1.906 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001022278923 734466228 /nfs/dbraw/zinc/46/62/28/734466228.db2.gz RNQASTFVFTYPCV-XGUBFFRZSA-N 2 1 311.857 1.993 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001022278921 734466354 /nfs/dbraw/zinc/46/63/54/734466354.db2.gz RNQASTFVFTYPCV-LXTVHRRPSA-N 2 1 311.857 1.993 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121254792 782427312 /nfs/dbraw/zinc/42/73/12/782427312.db2.gz BKUWCGSTTFPWIE-LMBQMVEXSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001023423554 735224493 /nfs/dbraw/zinc/22/44/93/735224493.db2.gz ZFKATCLAQQFQRY-RQTGCPSESA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001023423554 735224499 /nfs/dbraw/zinc/22/44/99/735224499.db2.gz ZFKATCLAQQFQRY-RQTGCPSESA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C/C=C\Cl)C1 ZINC001023423554 735224502 /nfs/dbraw/zinc/22/45/02/735224502.db2.gz ZFKATCLAQQFQRY-RQTGCPSESA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](C/C=C\Cl)C1 ZINC001023423554 735224505 /nfs/dbraw/zinc/22/45/05/735224505.db2.gz ZFKATCLAQQFQRY-RQTGCPSESA-N 2 1 323.868 1.665 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447740 735243449 /nfs/dbraw/zinc/24/34/49/735243449.db2.gz VHJKMMQDFHALGL-HOTGVXAUSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024478612 735855544 /nfs/dbraw/zinc/85/55/44/735855544.db2.gz UCUCUBQWRRUKOM-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087313023 736051133 /nfs/dbraw/zinc/05/11/33/736051133.db2.gz NVUPQTHNJGCWEO-OAGGEKHMSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450694 736676908 /nfs/dbraw/zinc/67/69/08/736676908.db2.gz LMQVYFISHLSKGR-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486156 736719501 /nfs/dbraw/zinc/71/95/01/736719501.db2.gz SESSRYIUTLRTNB-LSDHHAIUSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001025817985 736869556 /nfs/dbraw/zinc/86/95/56/736869556.db2.gz JTPXDHMCYSKKGU-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025817985 736869557 /nfs/dbraw/zinc/86/95/57/736869557.db2.gz JTPXDHMCYSKKGU-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025817985 736869558 /nfs/dbraw/zinc/86/95/58/736869558.db2.gz JTPXDHMCYSKKGU-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026506646 737623338 /nfs/dbraw/zinc/62/33/38/737623338.db2.gz DLBNQVHGFURBDL-OFLPRAFFSA-N 2 1 305.466 1.900 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001026530301 737639250 /nfs/dbraw/zinc/63/92/50/737639250.db2.gz MNCFPZCDKGTYDT-KUNBBXKYSA-N 2 1 319.449 1.053 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001027414664 738274841 /nfs/dbraw/zinc/27/48/41/738274841.db2.gz SUCJARVWYXMFSL-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027506306 738358353 /nfs/dbraw/zinc/35/83/53/738358353.db2.gz PZXBAQRRQOSDGW-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CN1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035361644 751446177 /nfs/dbraw/zinc/44/61/77/751446177.db2.gz OEJGPKJHPFFOPO-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001028645799 739845368 /nfs/dbraw/zinc/84/53/68/739845368.db2.gz PDXAKTJQJZZQIR-OAHLLOKOSA-N 2 1 310.401 1.718 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028916461 740171203 /nfs/dbraw/zinc/17/12/03/740171203.db2.gz NCNITJLFTDPIMS-MRXNPFEDSA-N 2 1 303.450 1.180 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001037939525 751577897 /nfs/dbraw/zinc/57/78/97/751577897.db2.gz GYWNQZLKOJHARQ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993769 740934245 /nfs/dbraw/zinc/93/42/45/740934245.db2.gz BRSIZYLLWZLGOG-OWCLPIDISA-N 2 1 314.433 1.727 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993769 740934247 /nfs/dbraw/zinc/93/42/47/740934247.db2.gz BRSIZYLLWZLGOG-OWCLPIDISA-N 2 1 314.433 1.727 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993642 740934266 /nfs/dbraw/zinc/93/42/66/740934266.db2.gz WQBDTIVBAYBCLG-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999392 740938505 /nfs/dbraw/zinc/93/85/05/740938505.db2.gz JQWOXNLGGGETEN-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999392 740938508 /nfs/dbraw/zinc/93/85/08/740938508.db2.gz JQWOXNLGGGETEN-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999392 740938512 /nfs/dbraw/zinc/93/85/12/740938512.db2.gz JQWOXNLGGGETEN-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027961 740958061 /nfs/dbraw/zinc/95/80/61/740958061.db2.gz OCLNCLXIRYRNHR-CVEARBPZSA-N 2 1 308.385 1.361 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@H]1C ZINC001088582270 741899094 /nfs/dbraw/zinc/89/90/94/741899094.db2.gz GUEQISDBIKKOOA-DVOMOZLQSA-N 2 1 315.421 1.002 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@H]1C ZINC001088582270 741899099 /nfs/dbraw/zinc/89/90/99/741899099.db2.gz GUEQISDBIKKOOA-DVOMOZLQSA-N 2 1 315.421 1.002 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076462556 742746338 /nfs/dbraw/zinc/74/63/38/742746338.db2.gz ZPFJRBPNQFCNFO-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076462556 742746342 /nfs/dbraw/zinc/74/63/42/742746342.db2.gz ZPFJRBPNQFCNFO-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076462556 742746344 /nfs/dbraw/zinc/74/63/44/742746344.db2.gz ZPFJRBPNQFCNFO-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1 ZINC001181771837 743333751 /nfs/dbraw/zinc/33/37/51/743333751.db2.gz AZEBICHDPSQMPW-ZIFCJYIRSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(C)C)C1 ZINC001181771837 743333759 /nfs/dbraw/zinc/33/37/59/743333759.db2.gz AZEBICHDPSQMPW-ZIFCJYIRSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885498 743378121 /nfs/dbraw/zinc/37/81/21/743378121.db2.gz WMHKGGIZYXXZGI-YFHUEUNASA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181885498 743378124 /nfs/dbraw/zinc/37/81/24/743378124.db2.gz WMHKGGIZYXXZGI-YFHUEUNASA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108050008 743381942 /nfs/dbraw/zinc/38/19/42/743381942.db2.gz VCGKVMGQDTXBON-KRWDZBQOSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC001105727807 743764838 /nfs/dbraw/zinc/76/48/38/743764838.db2.gz FMVRIIMXSINOCS-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC/C=C/CC)C1 ZINC001183353808 743821438 /nfs/dbraw/zinc/82/14/38/743821438.db2.gz AWJOHAKCVBMLFL-WBXGCANISA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC/C=C/CC)C1 ZINC001183353808 743821443 /nfs/dbraw/zinc/82/14/43/743821443.db2.gz AWJOHAKCVBMLFL-WBXGCANISA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185307848 744201862 /nfs/dbraw/zinc/20/18/62/744201862.db2.gz RTBGPYBWEMAULX-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001185446770 744224919 /nfs/dbraw/zinc/22/49/19/744224919.db2.gz OPRHVYWBGIFXRI-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189438600 744899162 /nfs/dbraw/zinc/89/91/62/744899162.db2.gz AZKIXZGDLIESLJ-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189438600 744899163 /nfs/dbraw/zinc/89/91/63/744899163.db2.gz AZKIXZGDLIESLJ-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355895 745765352 /nfs/dbraw/zinc/76/53/52/745765352.db2.gz VFSXSLMWVXLQOE-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355895 745765357 /nfs/dbraw/zinc/76/53/57/745765357.db2.gz VFSXSLMWVXLQOE-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378097 745771352 /nfs/dbraw/zinc/77/13/52/745771352.db2.gz SBANODLJCLMGPQ-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192378097 745771357 /nfs/dbraw/zinc/77/13/57/745771357.db2.gz SBANODLJCLMGPQ-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192378097 745771360 /nfs/dbraw/zinc/77/13/60/745771360.db2.gz SBANODLJCLMGPQ-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106727761 745971964 /nfs/dbraw/zinc/97/19/64/745971964.db2.gz SHXSBRRCLIMUMT-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993685823 746275909 /nfs/dbraw/zinc/27/59/09/746275909.db2.gz SFDAGFUMZRELPS-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273921 746313811 /nfs/dbraw/zinc/31/38/11/746313811.db2.gz BUKIRBJIFQGXIG-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273921 746313817 /nfs/dbraw/zinc/31/38/17/746313817.db2.gz BUKIRBJIFQGXIG-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194274785 746314721 /nfs/dbraw/zinc/31/47/21/746314721.db2.gz LJQXNPNDQMIJSX-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001194266228 746326044 /nfs/dbraw/zinc/32/60/44/746326044.db2.gz MLPICMUCQLXLOC-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001194266228 746326049 /nfs/dbraw/zinc/32/60/49/746326049.db2.gz MLPICMUCQLXLOC-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001194266228 746326054 /nfs/dbraw/zinc/32/60/54/746326054.db2.gz MLPICMUCQLXLOC-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CCN1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015695880 746417924 /nfs/dbraw/zinc/41/79/24/746417924.db2.gz QZKSXITVSQEVOY-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015695880 746417926 /nfs/dbraw/zinc/41/79/26/746417926.db2.gz QZKSXITVSQEVOY-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015695880 746417927 /nfs/dbraw/zinc/41/79/27/746417927.db2.gz QZKSXITVSQEVOY-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015695880 746417929 /nfs/dbraw/zinc/41/79/29/746417929.db2.gz QZKSXITVSQEVOY-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404227 746592186 /nfs/dbraw/zinc/59/21/86/746592186.db2.gz NVPPANXOXLXVRN-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001195404227 746592189 /nfs/dbraw/zinc/59/21/89/746592189.db2.gz NVPPANXOXLXVRN-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001195404227 746592192 /nfs/dbraw/zinc/59/21/92/746592192.db2.gz NVPPANXOXLXVRN-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404227 746592195 /nfs/dbraw/zinc/59/21/95/746592195.db2.gz NVPPANXOXLXVRN-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC#CC)[C@@H]2C)CC1 ZINC000994491982 746689798 /nfs/dbraw/zinc/68/97/98/746689798.db2.gz AZQZHKVIAZMOQV-SJLPKXTDSA-N 2 1 315.461 1.324 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001007382400 752118879 /nfs/dbraw/zinc/11/88/79/752118879.db2.gz MOBOYYJSSPDLAN-OAHLLOKOSA-N 2 1 314.433 1.366 20 30 DDEDMP COCC#CC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196199750 746795436 /nfs/dbraw/zinc/79/54/36/746795436.db2.gz BJPPZNKSSHXVBL-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196199750 746795437 /nfs/dbraw/zinc/79/54/37/746795437.db2.gz BJPPZNKSSHXVBL-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196199750 746795438 /nfs/dbraw/zinc/79/54/38/746795438.db2.gz BJPPZNKSSHXVBL-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001196199750 746795439 /nfs/dbraw/zinc/79/54/39/746795439.db2.gz BJPPZNKSSHXVBL-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003494831 747250813 /nfs/dbraw/zinc/25/08/13/747250813.db2.gz FYNOAFJBZFCFJP-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003494831 747250817 /nfs/dbraw/zinc/25/08/17/747250817.db2.gz FYNOAFJBZFCFJP-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198243309 747425942 /nfs/dbraw/zinc/42/59/42/747425942.db2.gz GWMMKJWCUBMCLT-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003775114 747485130 /nfs/dbraw/zinc/48/51/30/747485130.db2.gz NMIUISSOMLSHGP-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953203 747658851 /nfs/dbraw/zinc/65/88/51/747658851.db2.gz MEEDDXPBIMEZOW-INIZCTEOSA-N 2 1 319.449 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031932250 748239089 /nfs/dbraw/zinc/23/90/89/748239089.db2.gz ZGIHIFMKFBUSFP-OAHLLOKOSA-N 2 1 302.422 1.378 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004369948 748372940 /nfs/dbraw/zinc/37/29/40/748372940.db2.gz GQTBNHRDPYDMQL-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004369948 748372948 /nfs/dbraw/zinc/37/29/48/748372948.db2.gz GQTBNHRDPYDMQL-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004369948 748372958 /nfs/dbraw/zinc/37/29/58/748372958.db2.gz GQTBNHRDPYDMQL-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864446 748614551 /nfs/dbraw/zinc/61/45/51/748614551.db2.gz XKDVSXUHFCXWBZ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202165696 748702910 /nfs/dbraw/zinc/70/29/10/748702910.db2.gz SNYKPNVCIUMFIE-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107040644 748804639 /nfs/dbraw/zinc/80/46/39/748804639.db2.gz KSFUZBPEURAMSV-HZPDHXFCSA-N 2 1 311.470 1.213 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296664 749138985 /nfs/dbraw/zinc/13/89/85/749138985.db2.gz XDKINJUPZOWALZ-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995822401 749247899 /nfs/dbraw/zinc/24/78/99/749247899.db2.gz APSYSPNWZSDVON-MGPQQGTHSA-N 2 1 313.873 1.906 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033418110 749316840 /nfs/dbraw/zinc/31/68/40/749316840.db2.gz ZVUGCULKVLJNCQ-PBHICJAKSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033418110 749316843 /nfs/dbraw/zinc/31/68/43/749316843.db2.gz ZVUGCULKVLJNCQ-PBHICJAKSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033418110 749316845 /nfs/dbraw/zinc/31/68/45/749316845.db2.gz ZVUGCULKVLJNCQ-PBHICJAKSA-N 2 1 311.445 1.918 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996312151 749504149 /nfs/dbraw/zinc/50/41/49/749504149.db2.gz WWSJNIWJVJGNNW-ZBFHGGJFSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033550184 749505011 /nfs/dbraw/zinc/50/50/11/749505011.db2.gz FOPVFGFDEBWSSL-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033586593 749569438 /nfs/dbraw/zinc/56/94/38/749569438.db2.gz XKXGJPMGSXUELO-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033586593 749569441 /nfs/dbraw/zinc/56/94/41/749569441.db2.gz XKXGJPMGSXUELO-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000996667975 749867182 /nfs/dbraw/zinc/86/71/82/749867182.db2.gz AUUDQLMBRDWHMP-QGZVFWFLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438414 749959135 /nfs/dbraw/zinc/95/91/35/749959135.db2.gz AGHALTFVYWXWRJ-SOLBZPMBSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111037379 750324314 /nfs/dbraw/zinc/32/43/14/750324314.db2.gz ZZJLGJATQGGDTB-HZMVEIRTSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115647 750381544 /nfs/dbraw/zinc/38/15/44/750381544.db2.gz SJSHVQFKWQSIJV-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001034642211 750624619 /nfs/dbraw/zinc/62/46/19/750624619.db2.gz BYKOMPSQUHNBBD-VQHPVUNQSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419588 762117020 /nfs/dbraw/zinc/11/70/20/762117020.db2.gz PGQPLBXQXDDNAD-SFHVURJKSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419588 762117023 /nfs/dbraw/zinc/11/70/23/762117023.db2.gz PGQPLBXQXDDNAD-SFHVURJKSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035226708 751304444 /nfs/dbraw/zinc/30/44/44/751304444.db2.gz KPCTXRZZSXHDRY-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035226708 751304451 /nfs/dbraw/zinc/30/44/51/751304451.db2.gz KPCTXRZZSXHDRY-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035226708 751304456 /nfs/dbraw/zinc/30/44/56/751304456.db2.gz KPCTXRZZSXHDRY-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035226733 751304666 /nfs/dbraw/zinc/30/46/66/751304666.db2.gz LLGOYETUTYIMKH-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035226733 751304671 /nfs/dbraw/zinc/30/46/71/751304671.db2.gz LLGOYETUTYIMKH-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035226733 751304676 /nfs/dbraw/zinc/30/46/76/751304676.db2.gz LLGOYETUTYIMKH-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257295 751335676 /nfs/dbraw/zinc/33/56/76/751335676.db2.gz WFYSSDORSOWOPL-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257295 751335681 /nfs/dbraw/zinc/33/56/81/751335681.db2.gz WFYSSDORSOWOPL-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035257295 751335687 /nfs/dbraw/zinc/33/56/87/751335687.db2.gz WFYSSDORSOWOPL-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533495 752786219 /nfs/dbraw/zinc/78/62/19/752786219.db2.gz MDBYUFCUKKDRBJ-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533495 752786223 /nfs/dbraw/zinc/78/62/23/752786223.db2.gz MDBYUFCUKKDRBJ-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999293977 752798107 /nfs/dbraw/zinc/79/81/07/752798107.db2.gz OJJPTFKCEPUXCJ-UYSNPLJNSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999293977 752798113 /nfs/dbraw/zinc/79/81/13/752798113.db2.gz OJJPTFKCEPUXCJ-UYSNPLJNSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001009626524 753287783 /nfs/dbraw/zinc/28/77/83/753287783.db2.gz IVZCKVHFRIXJOB-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001032726468 753367939 /nfs/dbraw/zinc/36/79/39/753367939.db2.gz LZUFFMMHWJCSBN-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001032726468 753367944 /nfs/dbraw/zinc/36/79/44/753367944.db2.gz LZUFFMMHWJCSBN-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001032726468 753367950 /nfs/dbraw/zinc/36/79/50/753367950.db2.gz LZUFFMMHWJCSBN-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1CCCC ZINC001032726468 753367956 /nfs/dbraw/zinc/36/79/56/753367956.db2.gz LZUFFMMHWJCSBN-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001010368754 753819819 /nfs/dbraw/zinc/81/98/19/753819819.db2.gz GYBNPYYBVMBDEC-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001010368754 753819825 /nfs/dbraw/zinc/81/98/25/753819825.db2.gz GYBNPYYBVMBDEC-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001010368754 753819831 /nfs/dbraw/zinc/81/98/31/753819831.db2.gz GYBNPYYBVMBDEC-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001010368754 753819835 /nfs/dbraw/zinc/81/98/35/753819835.db2.gz GYBNPYYBVMBDEC-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000837595 762248660 /nfs/dbraw/zinc/24/86/60/762248660.db2.gz NXOBYIHDZSFHST-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000837595 762248663 /nfs/dbraw/zinc/24/86/63/762248663.db2.gz NXOBYIHDZSFHST-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000837595 762248667 /nfs/dbraw/zinc/24/86/67/762248667.db2.gz NXOBYIHDZSFHST-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000837595 762248672 /nfs/dbraw/zinc/24/86/72/762248672.db2.gz NXOBYIHDZSFHST-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078812178 754417109 /nfs/dbraw/zinc/41/71/09/754417109.db2.gz GPIKVOVTWHHCQF-GJZGRUSLSA-N 2 1 302.422 1.785 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001000936241 762380704 /nfs/dbraw/zinc/38/07/04/762380704.db2.gz AEMBJQKQIHPUIP-UHFFFAOYSA-N 2 1 323.400 1.815 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342001 755858192 /nfs/dbraw/zinc/85/81/92/755858192.db2.gz DIASRTRPOWFIFK-IVMMDQJWSA-N 2 1 302.422 1.376 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342001 755858199 /nfs/dbraw/zinc/85/81/99/755858199.db2.gz DIASRTRPOWFIFK-IVMMDQJWSA-N 2 1 302.422 1.376 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169472296 762457580 /nfs/dbraw/zinc/45/75/80/762457580.db2.gz XLVBCIGBKZCNMZ-UHFFFAOYSA-N 2 1 313.405 1.943 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705203 756480199 /nfs/dbraw/zinc/48/01/99/756480199.db2.gz JAYXTKUFVBWGFL-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705203 756480203 /nfs/dbraw/zinc/48/02/03/756480203.db2.gz JAYXTKUFVBWGFL-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651989 757236330 /nfs/dbraw/zinc/23/63/30/757236330.db2.gz MWAUQWSPDLFQMN-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097549557 757236862 /nfs/dbraw/zinc/23/68/62/757236862.db2.gz RCNRRCSVVYMJST-OIISXLGYSA-N 2 1 308.385 1.693 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097549557 757236865 /nfs/dbraw/zinc/23/68/65/757236865.db2.gz RCNRRCSVVYMJST-OIISXLGYSA-N 2 1 308.385 1.693 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702298 757280576 /nfs/dbraw/zinc/28/05/76/757280576.db2.gz NYRCCEMELLCKTL-SJORKVTESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016830799 757389915 /nfs/dbraw/zinc/38/99/15/757389915.db2.gz VYVLJIASFLHXSP-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016830800 757390786 /nfs/dbraw/zinc/39/07/86/757390786.db2.gz VYVLJIASFLHXSP-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084405987 757564009 /nfs/dbraw/zinc/56/40/09/757564009.db2.gz BPLJPYWGUPXDJW-BRWVUGGUSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948246 757997303 /nfs/dbraw/zinc/99/73/03/757997303.db2.gz ZKLQKSHRYSXKMW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948246 757997308 /nfs/dbraw/zinc/99/73/08/757997308.db2.gz ZKLQKSHRYSXKMW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948246 757997312 /nfs/dbraw/zinc/99/73/12/757997312.db2.gz ZKLQKSHRYSXKMW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948246 757997316 /nfs/dbraw/zinc/99/73/16/757997316.db2.gz ZKLQKSHRYSXKMW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569595 758038946 /nfs/dbraw/zinc/03/89/46/758038946.db2.gz OASKUNYRWLZONH-TWMKSMIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569595 758038959 /nfs/dbraw/zinc/03/89/59/758038959.db2.gz OASKUNYRWLZONH-TWMKSMIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017569595 758038970 /nfs/dbraw/zinc/03/89/70/758038970.db2.gz OASKUNYRWLZONH-TWMKSMIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017569595 758038982 /nfs/dbraw/zinc/03/89/82/758038982.db2.gz OASKUNYRWLZONH-TWMKSMIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084905755 758045493 /nfs/dbraw/zinc/04/54/93/758045493.db2.gz LVIRPFWTOYPJEY-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084905755 758045501 /nfs/dbraw/zinc/04/55/01/758045501.db2.gz LVIRPFWTOYPJEY-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084905755 758045509 /nfs/dbraw/zinc/04/55/09/758045509.db2.gz LVIRPFWTOYPJEY-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944399 758083905 /nfs/dbraw/zinc/08/39/05/758083905.db2.gz LODBRWIACJSZEG-TWMKSMIVSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944399 758083911 /nfs/dbraw/zinc/08/39/11/758083911.db2.gz LODBRWIACJSZEG-TWMKSMIVSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944399 758083913 /nfs/dbraw/zinc/08/39/13/758083913.db2.gz LODBRWIACJSZEG-TWMKSMIVSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944618 758084024 /nfs/dbraw/zinc/08/40/24/758084024.db2.gz AOQLXERUKAGFDT-XDNAFOTISA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944618 758084027 /nfs/dbraw/zinc/08/40/27/758084027.db2.gz AOQLXERUKAGFDT-XDNAFOTISA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944618 758084032 /nfs/dbraw/zinc/08/40/32/758084032.db2.gz AOQLXERUKAGFDT-XDNAFOTISA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001053582212 758593927 /nfs/dbraw/zinc/59/39/27/758593927.db2.gz BITIADXBEFCTOL-CABCVRRESA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001053924734 758960978 /nfs/dbraw/zinc/96/09/78/758960978.db2.gz BPFMLOBWVVOIFH-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001053924734 758960981 /nfs/dbraw/zinc/96/09/81/758960981.db2.gz BPFMLOBWVVOIFH-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085253761 759203802 /nfs/dbraw/zinc/20/38/02/759203802.db2.gz DUQZIZSORKWQSH-ZACQAIPSSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145017 759221945 /nfs/dbraw/zinc/22/19/45/759221945.db2.gz HRVJHPFRPHBOHT-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145017 759221954 /nfs/dbraw/zinc/22/19/54/759221954.db2.gz HRVJHPFRPHBOHT-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145017 759221966 /nfs/dbraw/zinc/22/19/66/759221966.db2.gz HRVJHPFRPHBOHT-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001054146256 759224976 /nfs/dbraw/zinc/22/49/76/759224976.db2.gz BHTSYSCSPZPQRM-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054146256 759224979 /nfs/dbraw/zinc/22/49/79/759224979.db2.gz BHTSYSCSPZPQRM-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001054146256 759224983 /nfs/dbraw/zinc/22/49/83/759224983.db2.gz BHTSYSCSPZPQRM-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C(C)C)C2)C1 ZINC001054146256 759224985 /nfs/dbraw/zinc/22/49/85/759224985.db2.gz BHTSYSCSPZPQRM-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054152190 759233558 /nfs/dbraw/zinc/23/35/58/759233558.db2.gz BNBPITLHHBPIAD-SJLPKXTDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085330964 759269316 /nfs/dbraw/zinc/26/93/16/759269316.db2.gz LPABBZSZPWDOCU-USXIJHARSA-N 2 1 314.433 1.404 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085331839 759270226 /nfs/dbraw/zinc/27/02/26/759270226.db2.gz BLNUDUBMOOEHPD-RKVPGOIHSA-N 2 1 323.456 1.849 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229185 759320418 /nfs/dbraw/zinc/32/04/18/759320418.db2.gz MEIYSRCGESQJCR-SFHVURJKSA-N 2 1 315.461 1.420 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001018878351 759361621 /nfs/dbraw/zinc/36/16/21/759361621.db2.gz LHGZVJDQTWDBNH-WFASDCNBSA-N 2 1 303.410 1.167 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001018878351 759361631 /nfs/dbraw/zinc/36/16/31/759361631.db2.gz LHGZVJDQTWDBNH-WFASDCNBSA-N 2 1 303.410 1.167 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639106 759911405 /nfs/dbraw/zinc/91/14/05/759911405.db2.gz IADMHNDZOSCPFD-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639106 759911409 /nfs/dbraw/zinc/91/14/09/759911409.db2.gz IADMHNDZOSCPFD-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCC1 ZINC001085646581 759927188 /nfs/dbraw/zinc/92/71/88/759927188.db2.gz IVLAVDOJASHABT-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001085646581 759927193 /nfs/dbraw/zinc/92/71/93/759927193.db2.gz IVLAVDOJASHABT-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCC1 ZINC001085646581 759927199 /nfs/dbraw/zinc/92/71/99/759927199.db2.gz IVLAVDOJASHABT-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CC1CCCC1 ZINC001085646581 759927205 /nfs/dbraw/zinc/92/72/05/759927205.db2.gz IVLAVDOJASHABT-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098391573 760055545 /nfs/dbraw/zinc/05/55/45/760055545.db2.gz FUEVALHELBDQQH-QGZVFWFLSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108214128 760388711 /nfs/dbraw/zinc/38/87/11/760388711.db2.gz ZSWNVRRGCIEVTA-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108214128 760388721 /nfs/dbraw/zinc/38/87/21/760388721.db2.gz ZSWNVRRGCIEVTA-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108214128 760388733 /nfs/dbraw/zinc/38/87/33/760388733.db2.gz ZSWNVRRGCIEVTA-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001046850584 767983634 /nfs/dbraw/zinc/98/36/34/767983634.db2.gz WYCACUPTPLVNJP-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086085409 760939198 /nfs/dbraw/zinc/93/91/98/760939198.db2.gz DEABNVMHHJIPQW-MWDXBVQZSA-N 2 1 305.466 1.921 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038504234 761161796 /nfs/dbraw/zinc/16/17/96/761161796.db2.gz XPXNOGKKNKETJX-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000258585 761604933 /nfs/dbraw/zinc/60/49/33/761604933.db2.gz CWXWPPTZUUYNSE-DOTOQJQBSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CC2)CC1 ZINC001000336048 761650117 /nfs/dbraw/zinc/65/01/17/761650117.db2.gz WTZNSQKNGCPIKA-INIZCTEOSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CC2)CC1 ZINC001000336048 761650121 /nfs/dbraw/zinc/65/01/21/761650121.db2.gz WTZNSQKNGCPIKA-INIZCTEOSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302240 761881314 /nfs/dbraw/zinc/88/13/14/761881314.db2.gz HNPUBXITYXIXLP-SFHVURJKSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040939784 762739139 /nfs/dbraw/zinc/73/91/39/762739139.db2.gz VVCDCNVDMKZJIF-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001473415 762895322 /nfs/dbraw/zinc/89/53/22/762895322.db2.gz LBLUJWWHLNNKRO-QGZVFWFLSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359123 762979670 /nfs/dbraw/zinc/97/96/70/762979670.db2.gz RWTGFHHJWZGXAJ-MAUKXSAKSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359123 762979676 /nfs/dbraw/zinc/97/96/76/762979676.db2.gz RWTGFHHJWZGXAJ-MAUKXSAKSA-N 2 1 314.433 1.871 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050211 763063889 /nfs/dbraw/zinc/06/38/89/763063889.db2.gz XSLIKHFEFSBALG-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050211 763063893 /nfs/dbraw/zinc/06/38/93/763063893.db2.gz XSLIKHFEFSBALG-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050211 763063898 /nfs/dbraw/zinc/06/38/98/763063898.db2.gz XSLIKHFEFSBALG-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075646 763096240 /nfs/dbraw/zinc/09/62/40/763096240.db2.gz LZXTYSHSBMANAU-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075646 763096247 /nfs/dbraw/zinc/09/62/47/763096247.db2.gz LZXTYSHSBMANAU-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075646 763096253 /nfs/dbraw/zinc/09/62/53/763096253.db2.gz LZXTYSHSBMANAU-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075646 763096259 /nfs/dbraw/zinc/09/62/59/763096259.db2.gz LZXTYSHSBMANAU-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095720 763127388 /nfs/dbraw/zinc/12/73/88/763127388.db2.gz ZYLSPNOOVTYNKO-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095720 763127393 /nfs/dbraw/zinc/12/73/93/763127393.db2.gz ZYLSPNOOVTYNKO-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001109068152 763284160 /nfs/dbraw/zinc/28/41/60/763284160.db2.gz PWRCWAJCFBKHOT-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109068152 763284165 /nfs/dbraw/zinc/28/41/65/763284165.db2.gz PWRCWAJCFBKHOT-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001109068152 763284182 /nfs/dbraw/zinc/28/41/82/763284182.db2.gz PWRCWAJCFBKHOT-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785304 763324505 /nfs/dbraw/zinc/32/45/05/763324505.db2.gz DQHUQFIHWCUJHL-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785304 763324510 /nfs/dbraw/zinc/32/45/10/763324510.db2.gz DQHUQFIHWCUJHL-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785304 763324516 /nfs/dbraw/zinc/32/45/16/763324516.db2.gz DQHUQFIHWCUJHL-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001109114075 763349963 /nfs/dbraw/zinc/34/99/63/763349963.db2.gz XBTQWFRVBMHTET-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001109114075 763349974 /nfs/dbraw/zinc/34/99/74/763349974.db2.gz XBTQWFRVBMHTET-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001109114075 763349984 /nfs/dbraw/zinc/34/99/84/763349984.db2.gz XBTQWFRVBMHTET-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001109114075 763349995 /nfs/dbraw/zinc/34/99/95/763349995.db2.gz XBTQWFRVBMHTET-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386498 763478954 /nfs/dbraw/zinc/47/89/54/763478954.db2.gz MHZIGJJNLBYCHX-INIZCTEOSA-N 2 1 323.485 1.490 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109467342 763734753 /nfs/dbraw/zinc/73/47/53/763734753.db2.gz SIYIZONNKSOPNP-IKGGRYGDSA-N 2 1 312.417 1.263 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050563405 763757442 /nfs/dbraw/zinc/75/74/42/763757442.db2.gz CZKIZNWQWQSUMD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050566128 763760345 /nfs/dbraw/zinc/76/03/45/763760345.db2.gz QAXJPQKIJDTACE-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216680 763779628 /nfs/dbraw/zinc/77/96/28/763779628.db2.gz QMZKIFXHKVFYQE-RDJZCZTQSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001112583182 764426407 /nfs/dbraw/zinc/42/64/07/764426407.db2.gz HUVPPFQURRISFC-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583182 764426410 /nfs/dbraw/zinc/42/64/10/764426410.db2.gz HUVPPFQURRISFC-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCOCCN1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001113257900 765481345 /nfs/dbraw/zinc/48/13/45/765481345.db2.gz OQUOPCQIBSERMR-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001113257900 765481351 /nfs/dbraw/zinc/48/13/51/765481351.db2.gz OQUOPCQIBSERMR-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001113257900 765481357 /nfs/dbraw/zinc/48/13/57/765481357.db2.gz OQUOPCQIBSERMR-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCF)CC1 ZINC001052458165 765847625 /nfs/dbraw/zinc/84/76/25/765847625.db2.gz ZCRVHXBEKDOPKM-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCF)CC1 ZINC001052458165 765847634 /nfs/dbraw/zinc/84/76/34/765847634.db2.gz ZCRVHXBEKDOPKM-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCF)CC1 ZINC001052458165 765847639 /nfs/dbraw/zinc/84/76/39/765847639.db2.gz ZCRVHXBEKDOPKM-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCF)CC1 ZINC001052458165 765847650 /nfs/dbraw/zinc/84/76/50/765847650.db2.gz ZCRVHXBEKDOPKM-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304402 766867237 /nfs/dbraw/zinc/86/72/37/766867237.db2.gz QGMAVAMCCLJEMW-BSXFFOKHSA-N 2 1 314.433 1.466 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304402 766867249 /nfs/dbraw/zinc/86/72/49/766867249.db2.gz QGMAVAMCCLJEMW-BSXFFOKHSA-N 2 1 314.433 1.466 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F)C1CCC1 ZINC001129532208 766919019 /nfs/dbraw/zinc/91/90/19/766919019.db2.gz VBZUCJQWTWGPPX-UHFFFAOYSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001129771083 767000104 /nfs/dbraw/zinc/00/01/04/767000104.db2.gz QKMICXDJVPOACC-INIZCTEOSA-N 2 1 319.836 1.643 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(Cl)cc1 ZINC001129771083 767000115 /nfs/dbraw/zinc/00/01/15/767000115.db2.gz QKMICXDJVPOACC-INIZCTEOSA-N 2 1 319.836 1.643 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132360672 768786136 /nfs/dbraw/zinc/78/61/36/768786136.db2.gz UZKOXDBJVQPUOB-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132360672 768786140 /nfs/dbraw/zinc/78/61/40/768786140.db2.gz UZKOXDBJVQPUOB-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494255 768926859 /nfs/dbraw/zinc/92/68/59/768926859.db2.gz QDIQMEDDHZWCKU-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133315829 769704911 /nfs/dbraw/zinc/70/49/11/769704911.db2.gz XMGCZQVQUUUDHC-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682519 769866797 /nfs/dbraw/zinc/86/67/97/769866797.db2.gz NCOMVFIJFZRYCB-GDBMZVCRSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860672 770003704 /nfs/dbraw/zinc/00/37/04/770003704.db2.gz ALCKFIQQHNLPNV-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048860672 770003716 /nfs/dbraw/zinc/00/37/16/770003716.db2.gz ALCKFIQQHNLPNV-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048860672 770003728 /nfs/dbraw/zinc/00/37/28/770003728.db2.gz ALCKFIQQHNLPNV-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2C1 ZINC001048870238 770024468 /nfs/dbraw/zinc/02/44/68/770024468.db2.gz UEDFBOIOWJJZRV-CQMQOEFUSA-N 2 1 321.852 1.227 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2C1 ZINC001048870238 770024482 /nfs/dbraw/zinc/02/44/82/770024482.db2.gz UEDFBOIOWJJZRV-CQMQOEFUSA-N 2 1 321.852 1.227 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2C1 ZINC001048870238 770024494 /nfs/dbraw/zinc/02/44/94/770024494.db2.gz UEDFBOIOWJJZRV-CQMQOEFUSA-N 2 1 321.852 1.227 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C/C=C\Cl)C[C@@H]2C1 ZINC001048870238 770024509 /nfs/dbraw/zinc/02/45/09/770024509.db2.gz UEDFBOIOWJJZRV-CQMQOEFUSA-N 2 1 321.852 1.227 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048888793 770055362 /nfs/dbraw/zinc/05/53/62/770055362.db2.gz YPHDINRFYDYCAY-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@H]2C1 ZINC001048888793 770055374 /nfs/dbraw/zinc/05/53/74/770055374.db2.gz YPHDINRFYDYCAY-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@H]2C1 ZINC001048888793 770055386 /nfs/dbraw/zinc/05/53/86/770055386.db2.gz YPHDINRFYDYCAY-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048912060 770099918 /nfs/dbraw/zinc/09/99/18/770099918.db2.gz XLMWYDKMTKRKGG-IYBDPMFKSA-N 2 1 322.412 1.670 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171151 770494107 /nfs/dbraw/zinc/49/41/07/770494107.db2.gz MGCDPAJMENWTKD-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(Cl)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134120964 770680960 /nfs/dbraw/zinc/68/09/60/770680960.db2.gz KPMMQYUTKSJSRN-CVEARBPZSA-N 2 1 321.852 1.790 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049653784 771054498 /nfs/dbraw/zinc/05/44/98/771054498.db2.gz DJHBFFOQJIOZKF-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049653784 771054508 /nfs/dbraw/zinc/05/45/08/771054508.db2.gz DJHBFFOQJIOZKF-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049653784 771054511 /nfs/dbraw/zinc/05/45/11/771054511.db2.gz DJHBFFOQJIOZKF-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773319 771168570 /nfs/dbraw/zinc/16/85/70/771168570.db2.gz NORWUGQEXODZIP-HUUCEWRRSA-N 2 1 313.486 1.792 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135323511 771439564 /nfs/dbraw/zinc/43/95/64/771439564.db2.gz UGHBZFRXRZSSAR-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP COCC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468805 771525953 /nfs/dbraw/zinc/52/59/53/771525953.db2.gz TXZYXKIGTKFONZ-CVEARBPZSA-N 2 1 323.481 1.241 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675522 771644475 /nfs/dbraw/zinc/64/44/75/771644475.db2.gz HNYJIGFHJTXVEE-UONOGXRCSA-N 2 1 317.861 1.334 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001091672853 773338982 /nfs/dbraw/zinc/33/89/82/773338982.db2.gz VXYZTIIJPLVSKT-APWZRJJASA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604499 773531784 /nfs/dbraw/zinc/53/17/84/773531784.db2.gz GRDHSVKRJXLJPX-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604499 773531786 /nfs/dbraw/zinc/53/17/86/773531786.db2.gz GRDHSVKRJXLJPX-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148604499 773531788 /nfs/dbraw/zinc/53/17/88/773531788.db2.gz GRDHSVKRJXLJPX-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956767 773744114 /nfs/dbraw/zinc/74/41/14/773744114.db2.gz XDJDMRJEDZOIFX-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956208 773744323 /nfs/dbraw/zinc/74/43/23/773744323.db2.gz HKFUCLZHWZDTMH-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721417 774229128 /nfs/dbraw/zinc/22/91/28/774229128.db2.gz MHABUOINJALOMF-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721417 774229135 /nfs/dbraw/zinc/22/91/35/774229135.db2.gz MHABUOINJALOMF-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721417 774229139 /nfs/dbraw/zinc/22/91/39/774229139.db2.gz MHABUOINJALOMF-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C)C1 ZINC001092721417 774229149 /nfs/dbraw/zinc/22/91/49/774229149.db2.gz MHABUOINJALOMF-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036756818 774483247 /nfs/dbraw/zinc/48/32/47/774483247.db2.gz SMUNZROLBXSHQP-XJKSGUPXSA-N 2 1 318.421 1.459 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036756818 774483252 /nfs/dbraw/zinc/48/32/52/774483252.db2.gz SMUNZROLBXSHQP-XJKSGUPXSA-N 2 1 318.421 1.459 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001098446706 774583954 /nfs/dbraw/zinc/58/39/54/774583954.db2.gz JULIDFDRLKQANG-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001098446706 774583959 /nfs/dbraw/zinc/58/39/59/774583959.db2.gz JULIDFDRLKQANG-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098446706 774583963 /nfs/dbraw/zinc/58/39/63/774583963.db2.gz JULIDFDRLKQANG-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098446706 774583969 /nfs/dbraw/zinc/58/39/69/774583969.db2.gz JULIDFDRLKQANG-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794510 774642756 /nfs/dbraw/zinc/64/27/56/774642756.db2.gz WHXLHSUXQNOZMA-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098872971 774701568 /nfs/dbraw/zinc/70/15/68/774701568.db2.gz GAMZMCGZNNOQTH-AOIWGVFYSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098872971 774701572 /nfs/dbraw/zinc/70/15/72/774701572.db2.gz GAMZMCGZNNOQTH-AOIWGVFYSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098872971 774701576 /nfs/dbraw/zinc/70/15/76/774701576.db2.gz GAMZMCGZNNOQTH-AOIWGVFYSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099093635 774826057 /nfs/dbraw/zinc/82/60/57/774826057.db2.gz IZWDTQOSGHCYOS-WMZOPIPTSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099093635 774826062 /nfs/dbraw/zinc/82/60/62/774826062.db2.gz IZWDTQOSGHCYOS-WMZOPIPTSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841935 774893915 /nfs/dbraw/zinc/89/39/15/774893915.db2.gz HTQAFGPLDNWSRX-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841935 774893919 /nfs/dbraw/zinc/89/39/19/774893919.db2.gz HTQAFGPLDNWSRX-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099310183 774941647 /nfs/dbraw/zinc/94/16/47/774941647.db2.gz JJMYKKQZTQAYHI-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310183 774941653 /nfs/dbraw/zinc/94/16/53/774941653.db2.gz JJMYKKQZTQAYHI-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099310183 774941660 /nfs/dbraw/zinc/94/16/60/774941660.db2.gz JJMYKKQZTQAYHI-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099518961 775014451 /nfs/dbraw/zinc/01/44/51/775014451.db2.gz DAZGHMCWFXYNKT-HZMVEIRTSA-N 2 1 315.461 1.130 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521425 775015671 /nfs/dbraw/zinc/01/56/71/775015671.db2.gz RBXNWNRBPSWXJU-HZMVEIRTSA-N 2 1 317.477 1.683 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099538713 775021249 /nfs/dbraw/zinc/02/12/49/775021249.db2.gz XIDULPFIDJBEER-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099936868 775444947 /nfs/dbraw/zinc/44/49/47/775444947.db2.gz FTPGNAOXFHTZON-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094380231 775827135 /nfs/dbraw/zinc/82/71/35/775827135.db2.gz PFXYSLACXYFWPW-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094380231 775827147 /nfs/dbraw/zinc/82/71/47/775827147.db2.gz PFXYSLACXYFWPW-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001094380231 775827155 /nfs/dbraw/zinc/82/71/55/775827155.db2.gz PFXYSLACXYFWPW-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895913 776007926 /nfs/dbraw/zinc/00/79/26/776007926.db2.gz GKYGLAUKLDEBFJ-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001094962391 776909137 /nfs/dbraw/zinc/90/91/37/776909137.db2.gz RKLTXYAJKURASW-JYJNAYRXSA-N 2 1 302.422 1.737 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165432 778075315 /nfs/dbraw/zinc/07/53/15/778075315.db2.gz LJTKIXYBEQSHMK-IRXDYDNUSA-N 2 1 323.481 1.243 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150588683 778138937 /nfs/dbraw/zinc/13/89/37/778138937.db2.gz QWFCRAOEKYLUHL-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588683 778138940 /nfs/dbraw/zinc/13/89/40/778138940.db2.gz QWFCRAOEKYLUHL-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588683 778138946 /nfs/dbraw/zinc/13/89/46/778138946.db2.gz QWFCRAOEKYLUHL-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001102514351 778180287 /nfs/dbraw/zinc/18/02/87/778180287.db2.gz UTQYXAKSZAZFLY-HZPDHXFCSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001177017166 778394701 /nfs/dbraw/zinc/39/47/01/778394701.db2.gz ZGQVRTLITGFMGR-QGZVFWFLSA-N 2 1 319.449 1.588 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001102781852 778394873 /nfs/dbraw/zinc/39/48/73/778394873.db2.gz CQLHLTUMXADCKE-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001102781852 778394882 /nfs/dbraw/zinc/39/48/82/778394882.db2.gz CQLHLTUMXADCKE-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001102781852 778394891 /nfs/dbraw/zinc/39/48/91/778394891.db2.gz CQLHLTUMXADCKE-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977012 778519674 /nfs/dbraw/zinc/51/96/74/778519674.db2.gz IQQIFNSCMBLNHN-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977012 778519680 /nfs/dbraw/zinc/51/96/80/778519680.db2.gz IQQIFNSCMBLNHN-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977012 778519683 /nfs/dbraw/zinc/51/96/83/778519683.db2.gz IQQIFNSCMBLNHN-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086793 778629508 /nfs/dbraw/zinc/62/95/08/778629508.db2.gz QYMHDEZOWCHJAV-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086793 778629510 /nfs/dbraw/zinc/62/95/10/778629510.db2.gz QYMHDEZOWCHJAV-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001103086793 778629513 /nfs/dbraw/zinc/62/95/13/778629513.db2.gz QYMHDEZOWCHJAV-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185857 778698139 /nfs/dbraw/zinc/69/81/39/778698139.db2.gz UUNNTZZIXMTUQM-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178535406 779082730 /nfs/dbraw/zinc/08/27/30/779082730.db2.gz IXQSRCVAHIXRNC-IAGOWNOFSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C)C1 ZINC001112404144 779761501 /nfs/dbraw/zinc/76/15/01/779761501.db2.gz JEWOLCLJEFALCA-LNLFQRSKSA-N 2 1 315.461 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC=C)C1 ZINC001112404144 779761506 /nfs/dbraw/zinc/76/15/06/779761506.db2.gz JEWOLCLJEFALCA-LNLFQRSKSA-N 2 1 315.461 1.488 20 30 DDEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115241320 779971513 /nfs/dbraw/zinc/97/15/13/779971513.db2.gz GCLFDYUVWRCLMA-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241320 779971520 /nfs/dbraw/zinc/97/15/20/779971520.db2.gz GCLFDYUVWRCLMA-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115241320 779971529 /nfs/dbraw/zinc/97/15/29/779971529.db2.gz GCLFDYUVWRCLMA-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593484 780254584 /nfs/dbraw/zinc/25/45/84/780254584.db2.gz KGVUCEVZBBOXOE-HUUCEWRRSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593484 780254592 /nfs/dbraw/zinc/25/45/92/780254592.db2.gz KGVUCEVZBBOXOE-HUUCEWRRSA-N 2 1 309.454 1.300 20 30 DDEDMP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417712 836227442 /nfs/dbraw/zinc/22/74/42/836227442.db2.gz FKTYPDOZXJJXIP-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417712 836227453 /nfs/dbraw/zinc/22/74/53/836227453.db2.gz FKTYPDOZXJJXIP-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001266489796 836342159 /nfs/dbraw/zinc/34/21/59/836342159.db2.gz RHTAQXVCZDCXKL-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001266489796 836342170 /nfs/dbraw/zinc/34/21/70/836342170.db2.gz RHTAQXVCZDCXKL-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001266716149 836717831 /nfs/dbraw/zinc/71/78/31/836717831.db2.gz DHSCNGUUENZWPP-YYIAUSFCSA-N 2 1 321.465 1.443 20 30 DDEDMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC001267520682 838239948 /nfs/dbraw/zinc/23/99/48/838239948.db2.gz NDBRKUWUWGLICM-SFHVURJKSA-N 2 1 313.445 1.941 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882742 844362785 /nfs/dbraw/zinc/36/27/85/844362785.db2.gz QEWWMZTXRDMGEB-RRFJBIMHSA-N 2 1 300.406 1.479 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882742 844362795 /nfs/dbraw/zinc/36/27/95/844362795.db2.gz QEWWMZTXRDMGEB-RRFJBIMHSA-N 2 1 300.406 1.479 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001267749711 838845418 /nfs/dbraw/zinc/84/54/18/838845418.db2.gz RQTNPHMYHINFRA-MSOLQXFVSA-N 2 1 313.445 1.569 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001267749711 838845425 /nfs/dbraw/zinc/84/54/25/838845425.db2.gz RQTNPHMYHINFRA-MSOLQXFVSA-N 2 1 313.445 1.569 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCCC1 ZINC001268374200 840078199 /nfs/dbraw/zinc/07/81/99/840078199.db2.gz OPWMSRBOTFSLFK-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCCC1 ZINC001268374200 840078209 /nfs/dbraw/zinc/07/82/09/840078209.db2.gz OPWMSRBOTFSLFK-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCCC1 ZINC001269572525 841780215 /nfs/dbraw/zinc/78/02/15/841780215.db2.gz WHWVVEWERMPUPO-HNNXBMFYSA-N 2 1 314.433 1.406 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001270297044 842464055 /nfs/dbraw/zinc/46/40/55/842464055.db2.gz ZXPDFKDAVUXEEM-DOTOQJQBSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001270959136 843090347 /nfs/dbraw/zinc/09/03/47/843090347.db2.gz SRWAUZDZMKMZMV-MJGOQNOKSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271199478 843405790 /nfs/dbraw/zinc/40/57/90/843405790.db2.gz AYGYJZBWGKCTEB-KRWDZBQOSA-N 2 1 320.437 1.136 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271199478 843405794 /nfs/dbraw/zinc/40/57/94/843405794.db2.gz AYGYJZBWGKCTEB-KRWDZBQOSA-N 2 1 320.437 1.136 20 30 DDEDMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001271678334 843777590 /nfs/dbraw/zinc/77/75/90/843777590.db2.gz QMELJMOYBCXOPN-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001271682637 843780285 /nfs/dbraw/zinc/78/02/85/843780285.db2.gz GHEFULPJELUHFN-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001272888084 847591584 /nfs/dbraw/zinc/59/15/84/847591584.db2.gz OCJLRTPYEWKUCH-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273039032 847825785 /nfs/dbraw/zinc/82/57/85/847825785.db2.gz LHXSFXRGGDHOCV-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034271254 848214566 /nfs/dbraw/zinc/21/45/66/848214566.db2.gz GCENRPVDXHBNHA-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034271254 848214574 /nfs/dbraw/zinc/21/45/74/848214574.db2.gz GCENRPVDXHBNHA-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271254 848214585 /nfs/dbraw/zinc/21/45/85/848214585.db2.gz GCENRPVDXHBNHA-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271254 848214594 /nfs/dbraw/zinc/21/45/94/848214594.db2.gz GCENRPVDXHBNHA-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001034283246 848248715 /nfs/dbraw/zinc/24/87/15/848248715.db2.gz TXTCECIRTBLWLV-GJZGRUSLSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340553 848354797 /nfs/dbraw/zinc/35/47/97/848354797.db2.gz QXRTXFSFVKWFLA-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034369743 848396052 /nfs/dbraw/zinc/39/60/52/848396052.db2.gz UOPCZPLREHXZEV-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034369743 848396059 /nfs/dbraw/zinc/39/60/59/848396059.db2.gz UOPCZPLREHXZEV-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034369743 848396063 /nfs/dbraw/zinc/39/60/63/848396063.db2.gz UOPCZPLREHXZEV-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034372129 848402377 /nfs/dbraw/zinc/40/23/77/848402377.db2.gz ZRWJURVJKMINML-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034372129 848402380 /nfs/dbraw/zinc/40/23/80/848402380.db2.gz ZRWJURVJKMINML-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034372129 848402385 /nfs/dbraw/zinc/40/23/85/848402385.db2.gz ZRWJURVJKMINML-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001273903202 851486236 /nfs/dbraw/zinc/48/62/36/851486236.db2.gz LKLKKLWHZRTNME-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001274516214 852353785 /nfs/dbraw/zinc/35/37/85/852353785.db2.gz OWROFCHEJKRWGN-MRXNPFEDSA-N 2 1 323.481 1.378 20 30 DDEDMP C#Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)cc1 ZINC001275132065 852828291 /nfs/dbraw/zinc/82/82/91/852828291.db2.gz NKHTXNFHEJADMW-ROUUACIJSA-N 2 1 323.440 1.310 20 30 DDEDMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275310091 852971178 /nfs/dbraw/zinc/97/11/78/852971178.db2.gz ZLFQAXDPRSLAAM-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150715775 862432475 /nfs/dbraw/zinc/43/24/75/862432475.db2.gz MDIYFEXCHUFCCW-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115461776 855198221 /nfs/dbraw/zinc/19/82/21/855198221.db2.gz BXXWBNILGMGCQQ-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115461776 855198227 /nfs/dbraw/zinc/19/82/27/855198227.db2.gz BXXWBNILGMGCQQ-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001151248507 862701954 /nfs/dbraw/zinc/70/19/54/862701954.db2.gz OXJKRDJUPYCJCG-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001072849932 857798202 /nfs/dbraw/zinc/79/82/02/857798202.db2.gz NZJIUWPDKQTNDR-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072849932 857798208 /nfs/dbraw/zinc/79/82/08/857798208.db2.gz NZJIUWPDKQTNDR-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072849932 857798222 /nfs/dbraw/zinc/79/82/22/857798222.db2.gz NZJIUWPDKQTNDR-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001072882618 857839036 /nfs/dbraw/zinc/83/90/36/857839036.db2.gz HIJSILRXYYAFFH-UHFFFAOYSA-N 2 1 308.385 1.424 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001073087103 858084211 /nfs/dbraw/zinc/08/42/11/858084211.db2.gz IPTIGLAZSMKMBO-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001328808918 863243784 /nfs/dbraw/zinc/24/37/84/863243784.db2.gz QYZURHXPOGOWAB-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001328808918 863243798 /nfs/dbraw/zinc/24/37/98/863243798.db2.gz QYZURHXPOGOWAB-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001328808918 863243811 /nfs/dbraw/zinc/24/38/11/863243811.db2.gz QYZURHXPOGOWAB-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001156907695 863436940 /nfs/dbraw/zinc/43/69/40/863436940.db2.gz KCHGTOQHPLVKNY-JKSUJKDBSA-N 2 1 311.470 1.357 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001329472968 863686016 /nfs/dbraw/zinc/68/60/16/863686016.db2.gz VXOZUXZUCQVBNJ-JKSUJKDBSA-N 2 1 304.438 1.930 20 30 DDEDMP CC#CCN(C)[C@@H](C)CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001329472968 863686024 /nfs/dbraw/zinc/68/60/24/863686024.db2.gz VXOZUXZUCQVBNJ-JKSUJKDBSA-N 2 1 304.438 1.930 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824794 864136501 /nfs/dbraw/zinc/13/65/01/864136501.db2.gz XWVSZRVRXXCGJH-TZMCWYRMSA-N 2 1 301.862 1.906 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824794 864136506 /nfs/dbraw/zinc/13/65/06/864136506.db2.gz XWVSZRVRXXCGJH-TZMCWYRMSA-N 2 1 301.862 1.906 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001330360009 864271173 /nfs/dbraw/zinc/27/11/73/864271173.db2.gz MNMRNRNCPSZPDX-NXOAAHMSSA-N 2 1 307.482 1.833 20 30 DDEDMP C=CCOCC[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001331054529 864809366 /nfs/dbraw/zinc/80/93/66/864809366.db2.gz SLYLJTDYVYDWCR-INIZCTEOSA-N 2 1 311.470 1.452 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001158922839 864979475 /nfs/dbraw/zinc/97/94/75/864979475.db2.gz JGPPXHQUGWQVPF-QGZVFWFLSA-N 2 1 323.481 1.289 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001158922839 864979483 /nfs/dbraw/zinc/97/94/83/864979483.db2.gz JGPPXHQUGWQVPF-QGZVFWFLSA-N 2 1 323.481 1.289 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001158922839 864979492 /nfs/dbraw/zinc/97/94/92/864979492.db2.gz JGPPXHQUGWQVPF-QGZVFWFLSA-N 2 1 323.481 1.289 20 30 DDEDMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001332010787 865501330 /nfs/dbraw/zinc/50/13/30/865501330.db2.gz DWFDMOLSBRQATA-DOTOQJQBSA-N 2 1 314.433 1.913 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868510 865572519 /nfs/dbraw/zinc/57/25/19/865572519.db2.gz FMFADOYFYNSMNW-QGZVFWFLSA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001332142828 865609969 /nfs/dbraw/zinc/60/99/69/865609969.db2.gz XXLSJXLZVQLSIC-BPQIPLTHSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352521 865793630 /nfs/dbraw/zinc/79/36/30/865793630.db2.gz KCRVQELZHAFURF-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352521 865793634 /nfs/dbraw/zinc/79/36/34/865793634.db2.gz KCRVQELZHAFURF-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352521 865793642 /nfs/dbraw/zinc/79/36/42/865793642.db2.gz KCRVQELZHAFURF-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001323061787 866305453 /nfs/dbraw/zinc/30/54/53/866305453.db2.gz DPPOJOSIHPWPLD-YJBOKZPZSA-N 2 1 323.456 1.707 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001320644027 866912548 /nfs/dbraw/zinc/91/25/48/866912548.db2.gz JGEAAHOACYXKOO-CYBMUJFWSA-N 2 1 322.478 1.944 20 30 DDEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CC#CCOC)C1 ZINC001321207596 867402752 /nfs/dbraw/zinc/40/27/52/867402752.db2.gz IBIOICBGKDSQFA-LAQIPUCWSA-N 2 1 321.465 1.020 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC001163007020 867990177 /nfs/dbraw/zinc/99/01/77/867990177.db2.gz MXPJPHONGNJHRA-UHFFFAOYSA-N 2 1 315.461 1.621 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322243463 868072400 /nfs/dbraw/zinc/07/24/00/868072400.db2.gz FYCBSUCAKLYPOR-RHSMWYFYSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322243463 868072413 /nfs/dbraw/zinc/07/24/13/868072413.db2.gz FYCBSUCAKLYPOR-RHSMWYFYSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001322243463 868072430 /nfs/dbraw/zinc/07/24/30/868072430.db2.gz FYCBSUCAKLYPOR-RHSMWYFYSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001325649378 868213856 /nfs/dbraw/zinc/21/38/56/868213856.db2.gz OSQVKXRSXPVNRY-BRWVUGGUSA-N 2 1 305.466 1.616 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001336756261 869124986 /nfs/dbraw/zinc/12/49/86/869124986.db2.gz LQHGYBLRBRFLLT-DLBZAZTESA-N 2 1 323.481 1.912 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165272251 869483814 /nfs/dbraw/zinc/48/38/14/869483814.db2.gz SHCXMYAQGGKPDY-OAHLLOKOSA-N 2 1 304.438 1.816 20 30 DDEDMP Cc1ccc(CC#N)c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)[nH+]1 ZINC001165346921 869534334 /nfs/dbraw/zinc/53/43/34/869534334.db2.gz WGAGHRLBKLTIPT-KRWDZBQOSA-N 2 1 316.405 1.041 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485563 869617031 /nfs/dbraw/zinc/61/70/31/869617031.db2.gz YZTKOHHNKZNSDB-CQSZACIVSA-N 2 1 300.406 1.270 20 30 DDEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001316999448 870103250 /nfs/dbraw/zinc/10/32/50/870103250.db2.gz NIIMJBYHTFFVPL-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001316999448 870103256 /nfs/dbraw/zinc/10/32/56/870103256.db2.gz NIIMJBYHTFFVPL-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001317042333 870153936 /nfs/dbraw/zinc/15/39/36/870153936.db2.gz FBWLHOKEGKUZIR-RBSFLKMASA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001317042333 870153941 /nfs/dbraw/zinc/15/39/41/870153941.db2.gz FBWLHOKEGKUZIR-RBSFLKMASA-N 2 1 300.406 1.317 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814489 870272384 /nfs/dbraw/zinc/27/23/84/870272384.db2.gz GHZFJNGSIQLPNN-OAHLLOKOSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203490612 870587892 /nfs/dbraw/zinc/58/78/92/870587892.db2.gz DBTPRSJUKGCELW-HZPDHXFCSA-N 2 1 314.433 1.622 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317532920 871011816 /nfs/dbraw/zinc/01/18/16/871011816.db2.gz REWJDLZXLLGZGR-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317532920 871011832 /nfs/dbraw/zinc/01/18/32/871011832.db2.gz REWJDLZXLLGZGR-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CC[NH2+]CCN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC001204953236 871299651 /nfs/dbraw/zinc/29/96/51/871299651.db2.gz AIGMTNONLBQJTN-UHFFFAOYSA-N 2 1 303.406 1.309 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC001340825782 871701244 /nfs/dbraw/zinc/70/12/44/871701244.db2.gz ZZMFHYNQQPBBCZ-UHFFFAOYSA-N 2 1 309.797 1.442 20 30 DDEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316746688 871807617 /nfs/dbraw/zinc/80/76/17/871807617.db2.gz FGHIAYYOJAQLRU-JKSUJKDBSA-N 2 1 311.470 1.044 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001318483372 872108501 /nfs/dbraw/zinc/10/85/01/872108501.db2.gz QPVDZSVUJWYPOU-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001318483372 872108505 /nfs/dbraw/zinc/10/85/05/872108505.db2.gz QPVDZSVUJWYPOU-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206954434 872840992 /nfs/dbraw/zinc/84/09/92/872840992.db2.gz JCRXZYNTOLRZSS-UHFFFAOYSA-N 2 1 311.470 1.357 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208330837 874021016 /nfs/dbraw/zinc/02/10/16/874021016.db2.gz GTDSUQSATNUDPN-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001208355812 874053289 /nfs/dbraw/zinc/05/32/89/874053289.db2.gz IJEHSXWIUMVZBM-PNPSXAPQSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001208355812 874053305 /nfs/dbraw/zinc/05/33/05/874053305.db2.gz IJEHSXWIUMVZBM-PNPSXAPQSA-N 2 1 309.841 1.417 20 30 DDEDMP C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC001348446630 874564768 /nfs/dbraw/zinc/56/47/68/874564768.db2.gz IQJSHDURPPIZAN-ZBFHGGJFSA-N 2 1 307.438 1.298 20 30 DDEDMP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001378346938 874728108 /nfs/dbraw/zinc/72/81/08/874728108.db2.gz ZTGNRFXASUJEIU-CYBMUJFWSA-N 2 1 322.478 1.944 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209661655 875044020 /nfs/dbraw/zinc/04/40/20/875044020.db2.gz YSNRXSFNAKKQGI-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219902795 878578045 /nfs/dbraw/zinc/57/80/45/878578045.db2.gz JVRCXJCMWOETDN-ZNMIVQPWSA-N 2 1 311.470 1.233 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219902795 878578056 /nfs/dbraw/zinc/57/80/56/878578056.db2.gz JVRCXJCMWOETDN-ZNMIVQPWSA-N 2 1 311.470 1.233 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444487 879020461 /nfs/dbraw/zinc/02/04/61/879020461.db2.gz YNVBKRNYHQWLBO-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220444487 879020476 /nfs/dbraw/zinc/02/04/76/879020476.db2.gz YNVBKRNYHQWLBO-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221711972 880017484 /nfs/dbraw/zinc/01/74/84/880017484.db2.gz KOHNEYPVCSWDIZ-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001221711972 880017500 /nfs/dbraw/zinc/01/75/00/880017500.db2.gz KOHNEYPVCSWDIZ-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221711972 880017515 /nfs/dbraw/zinc/01/75/15/880017515.db2.gz KOHNEYPVCSWDIZ-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001221711972 880017530 /nfs/dbraw/zinc/01/75/30/880017530.db2.gz KOHNEYPVCSWDIZ-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092926 880242624 /nfs/dbraw/zinc/24/26/24/880242624.db2.gz XNFWUBSMNYGYPP-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092926 880242638 /nfs/dbraw/zinc/24/26/38/880242638.db2.gz XNFWUBSMNYGYPP-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223698200 881063493 /nfs/dbraw/zinc/06/34/93/881063493.db2.gz XNUOOWSJZGUPSK-FGTMMUONSA-N 2 1 319.493 1.909 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230784274 884873082 /nfs/dbraw/zinc/87/30/82/884873082.db2.gz ZNTDNDCXJQGWMV-QGZVFWFLSA-N 2 1 318.465 1.916 20 30 DDEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001277528198 885709947 /nfs/dbraw/zinc/70/99/47/885709947.db2.gz IOMAEDOFPFYMTG-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001277528198 885709956 /nfs/dbraw/zinc/70/99/56/885709956.db2.gz IOMAEDOFPFYMTG-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001277528198 885709963 /nfs/dbraw/zinc/70/99/63/885709963.db2.gz IOMAEDOFPFYMTG-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP Cn1c[nH+]cc1N1CC[C@H]2C[N@@H+](Cc3cc(C#N)n(C)c3)C[C@H]21 ZINC001277765822 886806737 /nfs/dbraw/zinc/80/67/37/886806737.db2.gz SLYPQPIAPWFZKU-GOEBONIOSA-N 2 1 310.405 1.341 20 30 DDEDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](CCCCC#N)C[C@H]2CC1 ZINC001277948878 888680877 /nfs/dbraw/zinc/68/08/77/888680877.db2.gz OUARWSXKPODLQZ-CALCHBBNSA-N 2 1 309.454 1.945 20 30 DDEDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](CCCCC#N)C[C@H]2CC1 ZINC001277948878 888680883 /nfs/dbraw/zinc/68/08/83/888680883.db2.gz OUARWSXKPODLQZ-CALCHBBNSA-N 2 1 309.454 1.945 20 30 DDEDMP C=CC[NH2+]CCN(CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001236633716 889284587 /nfs/dbraw/zinc/28/45/87/889284587.db2.gz KLPPMOBFIGZUNE-LJQANCHMSA-N 2 1 317.477 1.985 20 30 DDEDMP C=CC[NH2+]CCN(CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001236633716 889284592 /nfs/dbraw/zinc/28/45/92/889284592.db2.gz KLPPMOBFIGZUNE-LJQANCHMSA-N 2 1 317.477 1.985 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278148130 889857856 /nfs/dbraw/zinc/85/78/56/889857856.db2.gz MIVZURXJZBCOAK-YXJHDRRASA-N 2 1 316.449 1.022 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278148130 889857865 /nfs/dbraw/zinc/85/78/65/889857865.db2.gz MIVZURXJZBCOAK-YXJHDRRASA-N 2 1 316.449 1.022 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278148130 889857878 /nfs/dbraw/zinc/85/78/78/889857878.db2.gz MIVZURXJZBCOAK-YXJHDRRASA-N 2 1 316.449 1.022 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246303565 892525552 /nfs/dbraw/zinc/52/55/52/892525552.db2.gz ITKRRNABXWUOTO-GJZGRUSLSA-N 3 1 309.454 1.478 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001251885361 894866107 /nfs/dbraw/zinc/86/61/07/894866107.db2.gz TZKZBRPYLDYJRJ-NZSAHSFTSA-N 2 1 316.445 1.640 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001251885361 894866121 /nfs/dbraw/zinc/86/61/21/894866121.db2.gz TZKZBRPYLDYJRJ-NZSAHSFTSA-N 2 1 316.445 1.640 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278667270 895160523 /nfs/dbraw/zinc/16/05/23/895160523.db2.gz BZGRLANQVVWSDP-KRWDZBQOSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001278667270 895160529 /nfs/dbraw/zinc/16/05/29/895160529.db2.gz BZGRLANQVVWSDP-KRWDZBQOSA-N 2 1 302.422 1.433 20 30 DDEDMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367814636 897893023 /nfs/dbraw/zinc/89/30/23/897893023.db2.gz QKWNIZAURHCZQF-RHSMWYFYSA-N 2 1 316.449 1.835 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001264096548 900926987 /nfs/dbraw/zinc/92/69/87/900926987.db2.gz NGSYYFZUWDCTQC-CVEARBPZSA-N 2 1 305.466 1.378 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001264096548 900926995 /nfs/dbraw/zinc/92/69/95/900926995.db2.gz NGSYYFZUWDCTQC-CVEARBPZSA-N 2 1 305.466 1.378 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001264096548 900927003 /nfs/dbraw/zinc/92/70/03/900927003.db2.gz NGSYYFZUWDCTQC-CVEARBPZSA-N 2 1 305.466 1.378 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001369270321 900928495 /nfs/dbraw/zinc/92/84/95/900928495.db2.gz GGSAXXZZHOGFLS-OCCSQVGLSA-N 2 1 324.856 1.943 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264100923 900929903 /nfs/dbraw/zinc/92/99/03/900929903.db2.gz MBAWWDWNZUTAAO-SJORKVTESA-N 2 1 303.450 1.276 20 30 DDEDMP COCC#CC[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001264986711 901396065 /nfs/dbraw/zinc/39/60/65/901396065.db2.gz VBLJEPXBILZTHG-UHFFFAOYSA-N 2 1 323.481 1.339 20 30 DDEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001265043285 901478539 /nfs/dbraw/zinc/47/85/39/901478539.db2.gz HXYPGRRJODJWGH-QGZVFWFLSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001265043285 901478544 /nfs/dbraw/zinc/47/85/44/901478544.db2.gz HXYPGRRJODJWGH-QGZVFWFLSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001265043285 901478548 /nfs/dbraw/zinc/47/85/48/901478548.db2.gz HXYPGRRJODJWGH-QGZVFWFLSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265386425 901949320 /nfs/dbraw/zinc/94/93/20/901949320.db2.gz GCCVKDTXCNSPCJ-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265386425 901949335 /nfs/dbraw/zinc/94/93/35/901949335.db2.gz GCCVKDTXCNSPCJ-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265386425 901949348 /nfs/dbraw/zinc/94/93/48/901949348.db2.gz GCCVKDTXCNSPCJ-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001265414115 901988628 /nfs/dbraw/zinc/98/86/28/901988628.db2.gz CCXGNAGEAKTTRG-IYBDPMFKSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001265414115 901988640 /nfs/dbraw/zinc/98/86/40/901988640.db2.gz CCXGNAGEAKTTRG-IYBDPMFKSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001265414115 901988654 /nfs/dbraw/zinc/98/86/54/901988654.db2.gz CCXGNAGEAKTTRG-IYBDPMFKSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001265414115 901988664 /nfs/dbraw/zinc/98/86/64/901988664.db2.gz CCXGNAGEAKTTRG-IYBDPMFKSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266219896 903135826 /nfs/dbraw/zinc/13/58/26/903135826.db2.gz KLUXOWYEISYQFQ-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001280274130 903576415 /nfs/dbraw/zinc/57/64/15/903576415.db2.gz LPRHXNCOOYZJHQ-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001280414626 903651269 /nfs/dbraw/zinc/65/12/69/903651269.db2.gz CHGXBDLKXLQQGN-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001280414626 903651277 /nfs/dbraw/zinc/65/12/77/903651277.db2.gz CHGXBDLKXLQQGN-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001371212892 904498259 /nfs/dbraw/zinc/49/82/59/904498259.db2.gz OBVRTIJBAXSQRX-AWEZNQCLSA-N 2 1 314.433 1.637 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001371474749 905056962 /nfs/dbraw/zinc/05/69/62/905056962.db2.gz QUNKNQKJJJBQOP-CYBMUJFWSA-N 2 1 311.389 1.358 20 30 DDEDMP C=CCCC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001281820630 905242407 /nfs/dbraw/zinc/24/24/07/905242407.db2.gz JUVITKNPTSUGLK-MRXNPFEDSA-N 2 1 323.481 1.238 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282213194 905618554 /nfs/dbraw/zinc/61/85/54/905618554.db2.gz CLSWPFOBLWGWQC-IRXDYDNUSA-N 2 1 315.461 1.863 20 30 DDEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001283250146 906994823 /nfs/dbraw/zinc/99/48/23/906994823.db2.gz UTISYJUCACJAJP-HNNXBMFYSA-N 2 1 304.438 1.904 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001285003630 909923492 /nfs/dbraw/zinc/92/34/92/909923492.db2.gz GOYMSWDKXRKYEV-KRWDZBQOSA-N 2 1 317.408 1.649 20 30 DDEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001285014190 909939903 /nfs/dbraw/zinc/93/99/03/909939903.db2.gz AEVUESJWTYBZCE-HNNXBMFYSA-N 2 1 305.397 1.669 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000066922145 353025234 /nfs/dbraw/zinc/02/52/34/353025234.db2.gz AAMBWZFKTXEUKA-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000077823103 353493466 /nfs/dbraw/zinc/49/34/66/353493466.db2.gz OQZSEBKGXQFGBJ-KRWDZBQOSA-N 2 1 320.481 1.907 20 30 DDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC000595370493 356468394 /nfs/dbraw/zinc/46/83/94/356468394.db2.gz GYWZUMQLBCAMPH-LJQANCHMSA-N 2 1 312.461 1.813 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596690967 356953430 /nfs/dbraw/zinc/95/34/30/356953430.db2.gz VGGYHQWJCZGMKT-GOEBONIOSA-N 2 1 309.458 1.204 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596690967 356953432 /nfs/dbraw/zinc/95/34/32/356953432.db2.gz VGGYHQWJCZGMKT-GOEBONIOSA-N 2 1 309.458 1.204 20 30 DDEDMP C[C@H](c1ccc(C#N)cc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603226275 359497003 /nfs/dbraw/zinc/49/70/03/359497003.db2.gz DLWVNYXWWMCWCF-CQSZACIVSA-N 2 1 324.432 1.725 20 30 DDEDMP C=CC[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000625701255 367099200 /nfs/dbraw/zinc/09/92/00/367099200.db2.gz OHWRQQOGFKXRQH-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP COC[C@]1(C)CC[NH+](CC#CC[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451205402 533225874 /nfs/dbraw/zinc/22/58/74/533225874.db2.gz YCGYVVOFDOTAPD-QZTJIDSGSA-N 2 1 308.466 1.707 20 30 DDEDMP CO[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000367464944 286041274 /nfs/dbraw/zinc/04/12/74/286041274.db2.gz WRIFUZUCUZNPJO-ROUUACIJSA-N 2 1 308.466 1.992 20 30 DDEDMP Cc1noc(C)c1[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000130752211 407707529 /nfs/dbraw/zinc/70/75/29/407707529.db2.gz DBFFKBYQTMOWGR-GFCCVEGCSA-N 2 1 323.441 1.022 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)CC1 ZINC000156696254 408269500 /nfs/dbraw/zinc/26/95/00/408269500.db2.gz RAVHENPBIRUFBC-UHFFFAOYSA-N 2 1 323.400 1.859 20 30 DDEDMP COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C#N ZINC000182948142 408291920 /nfs/dbraw/zinc/29/19/20/408291920.db2.gz JOJFCLXLJWKOKI-UHFFFAOYSA-N 2 1 316.449 1.636 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183139493 408336074 /nfs/dbraw/zinc/33/60/74/408336074.db2.gz DMMJXWXSUITOEH-KGLIPLIRSA-N 2 1 310.401 1.969 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1C#N ZINC000191357952 408412493 /nfs/dbraw/zinc/41/24/93/408412493.db2.gz NXSUWWDKZVHLBD-ROUUACIJSA-N 2 1 316.449 1.754 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000303867537 409554867 /nfs/dbraw/zinc/55/48/67/409554867.db2.gz CYHXYDLXJNOETO-NVXWUHKLSA-N 2 1 318.465 1.980 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734528 222181985 /nfs/dbraw/zinc/18/19/85/222181985.db2.gz LEMRTICETDWULI-AWEZNQCLSA-N 2 1 322.453 1.195 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000246944551 222225541 /nfs/dbraw/zinc/22/55/41/222225541.db2.gz NRXWQDTVQPBBEB-NVXWUHKLSA-N 2 1 320.481 1.763 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N(C)Cc1cccn1C ZINC000261993747 222268391 /nfs/dbraw/zinc/26/83/91/222268391.db2.gz RYFKOTPCNUAGTJ-AWEZNQCLSA-N 2 1 303.454 1.517 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N(C)Cc1cccn1C ZINC000261993748 222267734 /nfs/dbraw/zinc/26/77/34/222267734.db2.gz RYFKOTPCNUAGTJ-CQSZACIVSA-N 2 1 303.454 1.517 20 30 DDEDMP C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261656841 222252523 /nfs/dbraw/zinc/25/25/23/222252523.db2.gz AFUCHWLIMMZTKQ-IINYFYTJSA-N 2 1 307.467 1.599 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000264136754 222323423 /nfs/dbraw/zinc/32/34/23/222323423.db2.gz ZXOPCJNIBPBNCG-AWEZNQCLSA-N 2 1 322.428 1.556 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn2c(n1)CCCC2 ZINC000264234585 222328952 /nfs/dbraw/zinc/32/89/52/222328952.db2.gz DBCSDMKCHSJNSC-CQSZACIVSA-N 3 1 304.442 1.108 20 30 DDEDMP C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262019100 222270224 /nfs/dbraw/zinc/27/02/24/222270224.db2.gz YKMOMUHPGUSJGE-BDJLRTHQSA-N 2 1 319.453 1.482 20 30 DDEDMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000262845053 222298395 /nfs/dbraw/zinc/29/83/95/222298395.db2.gz VNPALNJDIMCTNF-GDBMZVCRSA-N 2 1 308.470 1.819 20 30 DDEDMP CCOc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000264118515 222321484 /nfs/dbraw/zinc/32/14/84/222321484.db2.gz QPGFSPVQLUTJEQ-HNNXBMFYSA-N 2 1 304.438 1.974 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCn1ccnc1C ZINC000267395154 222383701 /nfs/dbraw/zinc/38/37/01/222383701.db2.gz DVDCKBRXOZLKGG-OAHLLOKOSA-N 2 1 306.458 1.360 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267395154 222383703 /nfs/dbraw/zinc/38/37/03/222383703.db2.gz DVDCKBRXOZLKGG-OAHLLOKOSA-N 3 1 306.458 1.360 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267395154 222383707 /nfs/dbraw/zinc/38/37/07/222383707.db2.gz DVDCKBRXOZLKGG-OAHLLOKOSA-N 3 1 306.458 1.360 20 30 DDEDMP Cc1ccc([C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267417799 222384325 /nfs/dbraw/zinc/38/43/25/222384325.db2.gz JOZWINYHGVVSHM-MRXNPFEDSA-N 2 1 318.465 1.725 20 30 DDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000361667052 418697756 /nfs/dbraw/zinc/69/77/56/418697756.db2.gz LFEFTHBTIVBMEP-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361667052 418697759 /nfs/dbraw/zinc/69/77/59/418697759.db2.gz LFEFTHBTIVBMEP-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370006349 418739859 /nfs/dbraw/zinc/73/98/59/418739859.db2.gz JWLRWWXXVFKRMP-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000491637651 421200258 /nfs/dbraw/zinc/20/02/58/421200258.db2.gz WIADQVDTPHEDFZ-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000491637651 421200261 /nfs/dbraw/zinc/20/02/61/421200261.db2.gz WIADQVDTPHEDFZ-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000491637651 421200262 /nfs/dbraw/zinc/20/02/62/421200262.db2.gz WIADQVDTPHEDFZ-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000557874810 421793325 /nfs/dbraw/zinc/79/33/25/421793325.db2.gz CIBOXJPEDZNWIY-YJBOKZPZSA-N 2 1 312.417 1.786 20 30 DDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000557874810 421793327 /nfs/dbraw/zinc/79/33/27/421793327.db2.gz CIBOXJPEDZNWIY-YJBOKZPZSA-N 2 1 312.417 1.786 20 30 DDEDMP C=CC[C@@]1(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662758923 424758688 /nfs/dbraw/zinc/75/86/88/424758688.db2.gz VISKNUPHWYPSMI-AEFFLSMTSA-N 2 1 322.497 1.075 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000519644867 335886371 /nfs/dbraw/zinc/88/63/71/335886371.db2.gz ZPPFMNONPVAYJH-QGZVFWFLSA-N 2 1 304.434 1.975 20 30 DDEDMP CC[C@@H]1C[NH+](C)CCN1CC#CCN1CC[N@H+](C)C[C@H]1CC ZINC000516280561 338009743 /nfs/dbraw/zinc/00/97/43/338009743.db2.gz BWMJEPMTVAXLSG-QZTJIDSGSA-N 2 1 306.498 1.042 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000390882009 483981503 /nfs/dbraw/zinc/98/15/03/483981503.db2.gz FWXWSGFIHHOHAQ-WBVHZDCISA-N 2 1 315.417 1.372 20 30 DDEDMP CCO[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000671241106 484979016 /nfs/dbraw/zinc/97/90/16/484979016.db2.gz SOZVDKYACAUZPB-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CCO[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](OCC)C2)C1 ZINC000671241106 484979021 /nfs/dbraw/zinc/97/90/21/484979021.db2.gz SOZVDKYACAUZPB-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CCO[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](OCC)C2)C1 ZINC000671241106 484979028 /nfs/dbraw/zinc/97/90/28/484979028.db2.gz SOZVDKYACAUZPB-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C[N@@H+]1C1CC1 ZINC000329925732 533897146 /nfs/dbraw/zinc/89/71/46/533897146.db2.gz VQRHKQMNAQLCCH-MCIONIFRSA-N 2 1 317.437 1.574 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C[N@H+]1C1CC1 ZINC000329925732 533897152 /nfs/dbraw/zinc/89/71/52/533897152.db2.gz VQRHKQMNAQLCCH-MCIONIFRSA-N 2 1 317.437 1.574 20 30 DDEDMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1C#N ZINC000423121610 533897794 /nfs/dbraw/zinc/89/77/94/533897794.db2.gz JDRWXERAURNKNM-BRWVUGGUSA-N 2 1 315.417 1.814 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000341601360 526440262 /nfs/dbraw/zinc/44/02/62/526440262.db2.gz BSJPBBZFRBYSDM-CJNGLKHVSA-N 2 1 306.454 1.419 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000491753412 526816041 /nfs/dbraw/zinc/81/60/41/526816041.db2.gz OCLOVVDRFUHRQK-HNNXBMFYSA-N 2 1 322.478 1.605 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339108 695220715 /nfs/dbraw/zinc/22/07/15/695220715.db2.gz LDBIUQOZSIYQHD-RHSMWYFYSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972339108 695220717 /nfs/dbraw/zinc/22/07/17/695220717.db2.gz LDBIUQOZSIYQHD-RHSMWYFYSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972339108 695220718 /nfs/dbraw/zinc/22/07/18/695220718.db2.gz LDBIUQOZSIYQHD-RHSMWYFYSA-N 2 1 311.445 1.918 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638890 695306108 /nfs/dbraw/zinc/30/61/08/695306108.db2.gz OOMNIZNCFPSMKQ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638890 695306110 /nfs/dbraw/zinc/30/61/10/695306110.db2.gz OOMNIZNCFPSMKQ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972638890 695306111 /nfs/dbraw/zinc/30/61/11/695306111.db2.gz OOMNIZNCFPSMKQ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972638890 695306112 /nfs/dbraw/zinc/30/61/12/695306112.db2.gz OOMNIZNCFPSMKQ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761252 695729021 /nfs/dbraw/zinc/72/90/21/695729021.db2.gz UIJZAMOORBWLST-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761252 695729023 /nfs/dbraw/zinc/72/90/23/695729023.db2.gz UIJZAMOORBWLST-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761252 695729024 /nfs/dbraw/zinc/72/90/24/695729024.db2.gz UIJZAMOORBWLST-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862359 695749216 /nfs/dbraw/zinc/74/92/16/695749216.db2.gz JTQGJTFDTYNQGS-SJORKVTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041190 695783150 /nfs/dbraw/zinc/78/31/50/695783150.db2.gz RLCFJHKKIANEJI-KBXCAEBGSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041190 695783151 /nfs/dbraw/zinc/78/31/51/695783151.db2.gz RLCFJHKKIANEJI-KBXCAEBGSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041190 695783152 /nfs/dbraw/zinc/78/31/52/695783152.db2.gz RLCFJHKKIANEJI-KBXCAEBGSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041190 695783153 /nfs/dbraw/zinc/78/31/53/695783153.db2.gz RLCFJHKKIANEJI-KBXCAEBGSA-N 2 1 323.456 1.659 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978409574 696378247 /nfs/dbraw/zinc/37/82/47/696378247.db2.gz JLNAANFICNTORB-FJIDUMEYSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978409574 696378250 /nfs/dbraw/zinc/37/82/50/696378250.db2.gz JLNAANFICNTORB-FJIDUMEYSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978409574 696378253 /nfs/dbraw/zinc/37/82/53/696378253.db2.gz JLNAANFICNTORB-FJIDUMEYSA-N 2 1 319.493 1.977 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978646572 696432416 /nfs/dbraw/zinc/43/24/16/696432416.db2.gz YUZVMZUBQATXIX-PHZGNYQRSA-N 2 1 315.417 1.272 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000981810520 696926129 /nfs/dbraw/zinc/92/61/29/696926129.db2.gz UFDZQKZIGMNQTE-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982234931 697068091 /nfs/dbraw/zinc/06/80/91/697068091.db2.gz DJNFQNMKYICXFB-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234931 697068094 /nfs/dbraw/zinc/06/80/94/697068094.db2.gz DJNFQNMKYICXFB-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234931 697068096 /nfs/dbraw/zinc/06/80/96/697068096.db2.gz DJNFQNMKYICXFB-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000160119613 697315039 /nfs/dbraw/zinc/31/50/39/697315039.db2.gz JYGCCTMYRACAHL-HOTGVXAUSA-N 2 1 320.485 1.682 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000178564820 697426106 /nfs/dbraw/zinc/42/61/06/697426106.db2.gz MNRNRQFUVDXHEA-ZDUSSCGKSA-N 2 1 306.410 1.390 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985803148 697576953 /nfs/dbraw/zinc/57/69/53/697576953.db2.gz CDSKZMMWQGUFAL-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(C)c1 ZINC000303774963 698606429 /nfs/dbraw/zinc/60/64/29/698606429.db2.gz GLAGVNCQPRETOP-OAHLLOKOSA-N 2 1 304.438 1.762 20 30 DDEDMP CC(C)NC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000303889516 698609647 /nfs/dbraw/zinc/60/96/47/698609647.db2.gz LYWLDWPWEWKBCU-QGZVFWFLSA-N 2 1 317.481 1.678 20 30 DDEDMP CC(C)NC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000303889516 698609650 /nfs/dbraw/zinc/60/96/50/698609650.db2.gz LYWLDWPWEWKBCU-QGZVFWFLSA-N 2 1 317.481 1.678 20 30 DDEDMP CC(C)NC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000303889516 698609653 /nfs/dbraw/zinc/60/96/53/698609653.db2.gz LYWLDWPWEWKBCU-QGZVFWFLSA-N 2 1 317.481 1.678 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)cc1F ZINC000304750807 698624404 /nfs/dbraw/zinc/62/44/04/698624404.db2.gz IRYYXGAZIPHVCK-CQSZACIVSA-N 2 1 310.392 1.896 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989562967 698668629 /nfs/dbraw/zinc/66/86/29/698668629.db2.gz TYXPJBZQYFOAOG-ZIAGYGMSSA-N 2 1 315.845 1.040 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC000989734843 698745410 /nfs/dbraw/zinc/74/54/10/698745410.db2.gz HBEFRBIFLJWXQC-QGZVFWFLSA-N 2 1 319.493 1.912 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000729681141 699484812 /nfs/dbraw/zinc/48/48/12/699484812.db2.gz CTXJWYRJCZMAOY-GFCCVEGCSA-N 2 1 309.377 1.532 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000764444130 700971005 /nfs/dbraw/zinc/97/10/05/700971005.db2.gz ORPSVQJDLFHMMJ-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876973610 705944632 /nfs/dbraw/zinc/94/46/32/705944632.db2.gz LTVXIZPVPIZUNM-RDJZCZTQSA-N 2 1 312.417 1.346 20 30 DDEDMP CCC[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876973610 705944633 /nfs/dbraw/zinc/94/46/33/705944633.db2.gz LTVXIZPVPIZUNM-RDJZCZTQSA-N 2 1 312.417 1.346 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000881634404 707311877 /nfs/dbraw/zinc/31/18/77/707311877.db2.gz BAENTUQBEWVESW-RDJZCZTQSA-N 2 1 312.417 1.216 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000881634404 707311882 /nfs/dbraw/zinc/31/18/82/707311882.db2.gz BAENTUQBEWVESW-RDJZCZTQSA-N 2 1 312.417 1.216 20 30 DDEDMP C#CC[C@@H](CCOC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872216532 707332857 /nfs/dbraw/zinc/33/28/57/707332857.db2.gz WTDSZGIKYGMQGJ-OALUTQOASA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[C@@H](CCOC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872216532 707332864 /nfs/dbraw/zinc/33/28/64/707332864.db2.gz WTDSZGIKYGMQGJ-OALUTQOASA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000836306008 707437087 /nfs/dbraw/zinc/43/70/87/707437087.db2.gz YHIJPQVPTOYOPI-QGZVFWFLSA-N 2 1 322.497 1.751 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCC)C1 ZINC000884359540 708262484 /nfs/dbraw/zinc/26/24/84/708262484.db2.gz LBUADUDESMWFCA-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCC)C1 ZINC000884359540 708262486 /nfs/dbraw/zinc/26/24/86/708262486.db2.gz LBUADUDESMWFCA-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)CCCC)C1 ZINC000884359540 708262489 /nfs/dbraw/zinc/26/24/89/708262489.db2.gz LBUADUDESMWFCA-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)CCCC)C1 ZINC000884359540 708262491 /nfs/dbraw/zinc/26/24/91/708262491.db2.gz LBUADUDESMWFCA-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000884405667 708282949 /nfs/dbraw/zinc/28/29/49/708282949.db2.gz ZOCLSHISSJQRPU-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000884405667 708282951 /nfs/dbraw/zinc/28/29/51/708282951.db2.gz ZOCLSHISSJQRPU-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000884405667 708282953 /nfs/dbraw/zinc/28/29/53/708282953.db2.gz ZOCLSHISSJQRPU-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000884405667 708282955 /nfs/dbraw/zinc/28/29/55/708282955.db2.gz ZOCLSHISSJQRPU-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897564058 708376156 /nfs/dbraw/zinc/37/61/56/708376156.db2.gz ZUWIYFKWURGNLO-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN(C(=O)NCC[N@H+]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000898586250 708798431 /nfs/dbraw/zinc/79/84/31/708798431.db2.gz LDAVIODCQHXMLJ-UHFFFAOYSA-N 2 1 320.481 1.457 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900371635 709561146 /nfs/dbraw/zinc/56/11/46/709561146.db2.gz GCDYLGWUDFDWOX-BBWFWOEESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900371635 709561149 /nfs/dbraw/zinc/56/11/49/709561149.db2.gz GCDYLGWUDFDWOX-BBWFWOEESA-N 2 1 323.481 1.595 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900378944 709564198 /nfs/dbraw/zinc/56/41/98/709564198.db2.gz YWYLULMDLBXXSQ-CVEARBPZSA-N 2 1 306.454 1.697 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000890362237 709835193 /nfs/dbraw/zinc/83/51/93/709835193.db2.gz AQGYQEYRZHYCMH-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000890362237 709835197 /nfs/dbraw/zinc/83/51/97/709835197.db2.gz AQGYQEYRZHYCMH-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCC)CC[NH+]2CCCC2)C1 ZINC000890364746 709837337 /nfs/dbraw/zinc/83/73/37/709837337.db2.gz HPEHSRUWQYQEKJ-QGZVFWFLSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCC)CC[NH+]2CCCC2)C1 ZINC000890364746 709837343 /nfs/dbraw/zinc/83/73/43/709837343.db2.gz HPEHSRUWQYQEKJ-QGZVFWFLSA-N 2 1 320.481 1.601 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000911847275 711029509 /nfs/dbraw/zinc/02/95/09/711029509.db2.gz UJWAHFDUAVSFNO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000928648647 713249939 /nfs/dbraw/zinc/24/99/39/713249939.db2.gz OTMACMNWGGMXHK-UHFFFAOYSA-N 2 1 313.445 1.375 20 30 DDEDMP C#CCN(C(=O)NCC[N@H+](CC)C1CC1)C1CC[NH+](C)CC1 ZINC000916115474 713443200 /nfs/dbraw/zinc/44/32/00/713443200.db2.gz VUOLQJSPFMFYFU-UHFFFAOYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[C@@H]1CC[NH+]([C@H](C)CNC(=O)C[N@H+]2CC[C@@H](CC#C)C2)C1 ZINC000931714422 714167648 /nfs/dbraw/zinc/16/76/48/714167648.db2.gz GWZIDHSTHFDRBZ-KZNAEPCWSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CC[C@@H](CC#C)C2)C1 ZINC000931714422 714167649 /nfs/dbraw/zinc/16/76/49/714167649.db2.gz GWZIDHSTHFDRBZ-KZNAEPCWSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CC[C@@H](CC#C)C2)C1 ZINC000931714422 714167651 /nfs/dbraw/zinc/16/76/51/714167651.db2.gz GWZIDHSTHFDRBZ-KZNAEPCWSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC)C2 ZINC000963962046 717956351 /nfs/dbraw/zinc/95/63/51/717956351.db2.gz XBRSJHRIBCGOEY-HVEGKCCWSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCC)C2 ZINC000963962046 717956354 /nfs/dbraw/zinc/95/63/54/717956354.db2.gz XBRSJHRIBCGOEY-HVEGKCCWSA-N 2 1 303.450 1.511 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959917743 716355165 /nfs/dbraw/zinc/35/51/65/716355165.db2.gz BSVLWWFNCFHFSR-MWDXBVQZSA-N 2 1 303.450 1.341 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC2)CC1 ZINC000961029714 716768289 /nfs/dbraw/zinc/76/82/89/716768289.db2.gz XELRFMSNYFIYTP-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961193761 716856810 /nfs/dbraw/zinc/85/68/10/716856810.db2.gz CIUIIASJNYJRQY-IAGOWNOFSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961193761 716856811 /nfs/dbraw/zinc/85/68/11/716856811.db2.gz CIUIIASJNYJRQY-IAGOWNOFSA-N 2 1 314.433 1.385 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894398 717013668 /nfs/dbraw/zinc/01/36/68/717013668.db2.gz ZLOOKQOABDZQHO-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894398 717013672 /nfs/dbraw/zinc/01/36/72/717013672.db2.gz ZLOOKQOABDZQHO-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971746 717055110 /nfs/dbraw/zinc/05/51/10/717055110.db2.gz BQOWUNLVJGRTSA-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971746 717055113 /nfs/dbraw/zinc/05/51/13/717055113.db2.gz BQOWUNLVJGRTSA-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971746 717055117 /nfs/dbraw/zinc/05/51/17/717055117.db2.gz BQOWUNLVJGRTSA-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357429 717757395 /nfs/dbraw/zinc/75/73/95/717757395.db2.gz KEDKQYCPVZJXIR-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943517017 718135340 /nfs/dbraw/zinc/13/53/40/718135340.db2.gz NKZNNNDDZHNWLO-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)C[C@@H]2C)CC1 ZINC000945178759 718415260 /nfs/dbraw/zinc/41/52/60/718415260.db2.gz GVZKILAFQRFZTQ-WMZOPIPTSA-N 2 1 317.477 1.734 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861598 718929399 /nfs/dbraw/zinc/92/93/99/718929399.db2.gz VXHYPHDICKMRIM-CALCHBBNSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947472614 719177119 /nfs/dbraw/zinc/17/71/19/719177119.db2.gz HXSMAOUHZRARSD-ZIAGYGMSSA-N 2 1 320.437 1.895 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947472614 719177120 /nfs/dbraw/zinc/17/71/20/719177120.db2.gz HXSMAOUHZRARSD-ZIAGYGMSSA-N 2 1 320.437 1.895 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551198 719208243 /nfs/dbraw/zinc/20/82/43/719208243.db2.gz GUFMFCODYJYSTH-ZBFHGGJFSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947776313 719266776 /nfs/dbraw/zinc/26/67/76/719266776.db2.gz VMQGQYONUYHQGM-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374574 719472769 /nfs/dbraw/zinc/47/27/69/719472769.db2.gz WQWFYRYSQSYYQM-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948543154 719539250 /nfs/dbraw/zinc/53/92/50/719539250.db2.gz WVHREVATMWBMTK-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948543154 719539254 /nfs/dbraw/zinc/53/92/54/719539254.db2.gz WVHREVATMWBMTK-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948543154 719539258 /nfs/dbraw/zinc/53/92/58/719539258.db2.gz WVHREVATMWBMTK-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948543154 719539260 /nfs/dbraw/zinc/53/92/60/719539260.db2.gz WVHREVATMWBMTK-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948543155 719539537 /nfs/dbraw/zinc/53/95/37/719539537.db2.gz WVHREVATMWBMTK-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948543155 719539541 /nfs/dbraw/zinc/53/95/41/719539541.db2.gz WVHREVATMWBMTK-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948543155 719539546 /nfs/dbraw/zinc/53/95/46/719539546.db2.gz WVHREVATMWBMTK-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948543155 719539550 /nfs/dbraw/zinc/53/95/50/719539550.db2.gz WVHREVATMWBMTK-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968376660 719543025 /nfs/dbraw/zinc/54/30/25/719543025.db2.gz BIAURRCNLJNPEQ-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621081 719593686 /nfs/dbraw/zinc/59/36/86/719593686.db2.gz LRDXKOISLDUHQS-MRXNPFEDSA-N 2 1 310.401 1.894 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000949398089 720061795 /nfs/dbraw/zinc/06/17/95/720061795.db2.gz HFTITDHJVHQQIM-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000949398089 720061798 /nfs/dbraw/zinc/06/17/98/720061798.db2.gz HFTITDHJVHQQIM-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000949398089 720061802 /nfs/dbraw/zinc/06/18/02/720061802.db2.gz HFTITDHJVHQQIM-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC000949398089 720061805 /nfs/dbraw/zinc/06/18/05/720061805.db2.gz HFTITDHJVHQQIM-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000969738360 720272922 /nfs/dbraw/zinc/27/29/22/720272922.db2.gz SYTDUOMBOVHHTR-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969864868 720540570 /nfs/dbraw/zinc/54/05/70/720540570.db2.gz HJRNZEUQXAHMLU-PBHICJAKSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969864868 720540572 /nfs/dbraw/zinc/54/05/72/720540572.db2.gz HJRNZEUQXAHMLU-PBHICJAKSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970712284 720902822 /nfs/dbraw/zinc/90/28/22/720902822.db2.gz LVEKKIIQFCDBPU-VXGBXAGGSA-N 2 1 316.243 1.037 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001020517698 732457093 /nfs/dbraw/zinc/45/70/93/732457093.db2.gz KYUNWXFHPVUYMN-KKUMJFAQSA-N 2 1 302.422 1.567 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001021047501 732913238 /nfs/dbraw/zinc/91/32/38/732913238.db2.gz FRQWJUPETKHGSH-BRWVUGGUSA-N 2 1 312.417 1.247 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041675299 733083797 /nfs/dbraw/zinc/08/37/97/733083797.db2.gz ORYPRCRSPAMDAK-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041675299 733083799 /nfs/dbraw/zinc/08/37/99/733083799.db2.gz ORYPRCRSPAMDAK-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041675299 733083803 /nfs/dbraw/zinc/08/38/03/733083803.db2.gz ORYPRCRSPAMDAK-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104288067 733166422 /nfs/dbraw/zinc/16/64/22/733166422.db2.gz SFJLRDPNQATFRZ-KURKYZTESA-N 2 1 319.493 1.672 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736962 733497255 /nfs/dbraw/zinc/49/72/55/733497255.db2.gz PTHRXAKQSATBOA-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736962 733497260 /nfs/dbraw/zinc/49/72/60/733497260.db2.gz PTHRXAKQSATBOA-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551544 735163959 /nfs/dbraw/zinc/16/39/59/735163959.db2.gz CBMOMTXRXDMMKV-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551544 735163961 /nfs/dbraw/zinc/16/39/61/735163961.db2.gz CBMOMTXRXDMMKV-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551544 735163965 /nfs/dbraw/zinc/16/39/65/735163965.db2.gz CBMOMTXRXDMMKV-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551544 735163969 /nfs/dbraw/zinc/16/39/69/735163969.db2.gz CBMOMTXRXDMMKV-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001121402033 782493575 /nfs/dbraw/zinc/49/35/75/782493575.db2.gz CFFJMJWSGICXJX-UHFFFAOYSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317956 736078882 /nfs/dbraw/zinc/07/88/82/736078882.db2.gz PDRYLVOITGWRKS-OIISXLGYSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024807321 736103683 /nfs/dbraw/zinc/10/36/83/736103683.db2.gz BHHJGNBPCQTMRZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024807321 736103685 /nfs/dbraw/zinc/10/36/85/736103685.db2.gz BHHJGNBPCQTMRZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807321 736103688 /nfs/dbraw/zinc/10/36/88/736103688.db2.gz BHHJGNBPCQTMRZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807321 736103691 /nfs/dbraw/zinc/10/36/91/736103691.db2.gz BHHJGNBPCQTMRZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813361 736108302 /nfs/dbraw/zinc/10/83/02/736108302.db2.gz AHIGFXZMUGMOLQ-KRWDZBQOSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025601022 736777625 /nfs/dbraw/zinc/77/76/25/736777625.db2.gz QMWKXNCCXQJTMB-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010409 737456876 /nfs/dbraw/zinc/45/68/76/737456876.db2.gz KXYNKETTYVLFJZ-ZACQAIPSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028625586 739799859 /nfs/dbraw/zinc/79/98/59/739799859.db2.gz VCMCIELCZNWZSR-MRXNPFEDSA-N 2 1 305.466 1.877 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028682697 739914655 /nfs/dbraw/zinc/91/46/55/739914655.db2.gz LZLUHRXMNZZKQP-AWEZNQCLSA-N 2 1 311.389 1.505 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035478292 751533370 /nfs/dbraw/zinc/53/33/70/751533370.db2.gz MVSAWLMCTMPNTJ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001035478292 751533374 /nfs/dbraw/zinc/53/33/74/751533374.db2.gz MVSAWLMCTMPNTJ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035478292 751533376 /nfs/dbraw/zinc/53/33/76/751533376.db2.gz MVSAWLMCTMPNTJ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035478292 751533379 /nfs/dbraw/zinc/53/33/79/751533379.db2.gz MVSAWLMCTMPNTJ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1CC ZINC001087571214 740658480 /nfs/dbraw/zinc/65/84/80/740658480.db2.gz ILUPUZBZUSAGRR-JKSUJKDBSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CCN1CC[C@H](NC(=O)c2ccn3c(C)cnc3c2)[C@H]1CC ZINC001087571214 740658481 /nfs/dbraw/zinc/65/84/81/740658481.db2.gz ILUPUZBZUSAGRR-JKSUJKDBSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773927 740743218 /nfs/dbraw/zinc/74/32/18/740743218.db2.gz PTWUIAADQGNNCE-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106706 741034952 /nfs/dbraw/zinc/03/49/52/741034952.db2.gz NEQUJMSLVFVIBW-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106706 741034956 /nfs/dbraw/zinc/03/49/56/741034956.db2.gz NEQUJMSLVFVIBW-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106706 741034960 /nfs/dbraw/zinc/03/49/60/741034960.db2.gz NEQUJMSLVFVIBW-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001088335699 741408726 /nfs/dbraw/zinc/40/87/26/741408726.db2.gz KXWBYHQYWSFUGU-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001088335699 741408727 /nfs/dbraw/zinc/40/87/27/741408727.db2.gz KXWBYHQYWSFUGU-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1 ZINC001075906877 741890342 /nfs/dbraw/zinc/89/03/42/741890342.db2.gz DWJMHUCWTLASMP-DSJMHWKBSA-N 2 1 300.406 1.622 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC001075906877 741890346 /nfs/dbraw/zinc/89/03/46/741890346.db2.gz DWJMHUCWTLASMP-DSJMHWKBSA-N 2 1 300.406 1.622 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC001075906877 741890348 /nfs/dbraw/zinc/89/03/48/741890348.db2.gz DWJMHUCWTLASMP-DSJMHWKBSA-N 2 1 300.406 1.622 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nccn3C2)[C@H]1C ZINC001088678181 742070210 /nfs/dbraw/zinc/07/02/10/742070210.db2.gz JKAJVTIXBNLYHK-KFWWJZLASA-N 2 1 300.406 1.048 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC001040236645 742137221 /nfs/dbraw/zinc/13/72/21/742137221.db2.gz OEHZPGWKNAJVAK-SFHVURJKSA-N 2 1 314.433 1.680 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001035609986 751715632 /nfs/dbraw/zinc/71/56/32/751715632.db2.gz UDFWJVSJYYNHQH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001035609986 751715642 /nfs/dbraw/zinc/71/56/42/751715642.db2.gz UDFWJVSJYYNHQH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035609986 751715649 /nfs/dbraw/zinc/71/56/49/751715649.db2.gz UDFWJVSJYYNHQH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035609986 751715657 /nfs/dbraw/zinc/71/56/57/751715657.db2.gz UDFWJVSJYYNHQH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076046733 742510313 /nfs/dbraw/zinc/51/03/13/742510313.db2.gz JFWFJJZOXSXDPQ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001076046733 742510314 /nfs/dbraw/zinc/51/03/14/742510314.db2.gz JFWFJJZOXSXDPQ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009329 743021252 /nfs/dbraw/zinc/02/12/52/743021252.db2.gz WLWQNOFSHIAZRV-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009329 743021262 /nfs/dbraw/zinc/02/12/62/743021262.db2.gz WLWQNOFSHIAZRV-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001182623151 743674172 /nfs/dbraw/zinc/67/41/72/743674172.db2.gz DTLPARYZQABCBX-CRAIPNDOSA-N 2 1 307.482 1.672 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001127066413 743696674 /nfs/dbraw/zinc/69/66/74/743696674.db2.gz NQYBHQZTHKDUGY-OAHLLOKOSA-N 2 1 320.462 1.698 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001183279971 743807034 /nfs/dbraw/zinc/80/70/34/743807034.db2.gz WSTFGRDFBPRHDH-QRQLOZEOSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001183256413 743811316 /nfs/dbraw/zinc/81/13/16/743811316.db2.gz WCPFSLMZWKPABK-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203169229 744538052 /nfs/dbraw/zinc/53/80/52/744538052.db2.gz QKTHPDUIMZFBNM-LSDHHAIUSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3ccnc3C)CCC[C@@H]12 ZINC000992500260 744921706 /nfs/dbraw/zinc/92/17/06/744921706.db2.gz JYXXGOUUYGPCKL-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992500260 744921709 /nfs/dbraw/zinc/92/17/09/744921709.db2.gz JYXXGOUUYGPCKL-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992500260 744921712 /nfs/dbraw/zinc/92/17/12/744921712.db2.gz JYXXGOUUYGPCKL-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000992821682 745223537 /nfs/dbraw/zinc/22/35/37/745223537.db2.gz WCHJOBBZTYPHOB-IXDOHACOSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190656522 745286846 /nfs/dbraw/zinc/28/68/46/745286846.db2.gz UNVJVNRTDSKHKY-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190656522 745286852 /nfs/dbraw/zinc/28/68/52/745286852.db2.gz UNVJVNRTDSKHKY-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000992919493 745292028 /nfs/dbraw/zinc/29/20/28/745292028.db2.gz OIBFRSSOGPJECP-OWCLPIDISA-N 2 1 300.406 1.041 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001190724940 745307089 /nfs/dbraw/zinc/30/70/89/745307089.db2.gz NXCSYDSFLNXLGO-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(=C)C)C1 ZINC001190724940 745307092 /nfs/dbraw/zinc/30/70/92/745307092.db2.gz NXCSYDSFLNXLGO-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001190724940 745307094 /nfs/dbraw/zinc/30/70/94/745307094.db2.gz NXCSYDSFLNXLGO-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(=C)C)C1 ZINC001190724940 745307097 /nfs/dbraw/zinc/30/70/97/745307097.db2.gz NXCSYDSFLNXLGO-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(=C)C)C1 ZINC001190724940 745307102 /nfs/dbraw/zinc/30/71/02/745307102.db2.gz NXCSYDSFLNXLGO-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@H]1C ZINC001106274153 745512490 /nfs/dbraw/zinc/51/24/90/745512490.db2.gz DXVLRNYHWANKKM-KBUPBQIOSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322402 745601827 /nfs/dbraw/zinc/60/18/27/745601827.db2.gz NOUUAEOUXMRTGF-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355898 745766070 /nfs/dbraw/zinc/76/60/70/745766070.db2.gz VFSXSLMWVXLQOE-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355898 745766073 /nfs/dbraw/zinc/76/60/73/745766073.db2.gz VFSXSLMWVXLQOE-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001192778133 745888209 /nfs/dbraw/zinc/88/82/09/745888209.db2.gz JKTWLULKSBREJK-GOEBONIOSA-N 2 1 320.437 1.324 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001192778133 745888212 /nfs/dbraw/zinc/88/82/12/745888212.db2.gz JKTWLULKSBREJK-GOEBONIOSA-N 2 1 320.437 1.324 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C)CC(C)(C)C1 ZINC001089562316 747222299 /nfs/dbraw/zinc/22/22/99/747222299.db2.gz BIHASKHEPVYTPX-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089562316 747222302 /nfs/dbraw/zinc/22/23/02/747222302.db2.gz BIHASKHEPVYTPX-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089562316 747222305 /nfs/dbraw/zinc/22/23/05/747222305.db2.gz BIHASKHEPVYTPX-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947955 747319284 /nfs/dbraw/zinc/31/92/84/747319284.db2.gz ARPKREBTFILALV-BZUAXINKSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985181 747664712 /nfs/dbraw/zinc/66/47/12/747664712.db2.gz WTTFNWFPXBTFAI-ZBFHGGJFSA-N 2 1 317.433 1.580 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001089735247 747714076 /nfs/dbraw/zinc/71/40/76/747714076.db2.gz HLFHBQQIXYJICN-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001089735247 747714080 /nfs/dbraw/zinc/71/40/80/747714080.db2.gz HLFHBQQIXYJICN-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001089735247 747714093 /nfs/dbraw/zinc/71/40/93/747714093.db2.gz HLFHBQQIXYJICN-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001089735247 747714096 /nfs/dbraw/zinc/71/40/96/747714096.db2.gz HLFHBQQIXYJICN-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089849380 748063504 /nfs/dbraw/zinc/06/35/04/748063504.db2.gz CUEPMUVDZMEKGO-MHORFTMASA-N 2 1 315.461 1.130 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001106927423 748166533 /nfs/dbraw/zinc/16/65/33/748166533.db2.gz OIIZOSNBIRCAKB-NUJGCVRESA-N 2 1 303.450 1.180 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001040943955 748344276 /nfs/dbraw/zinc/34/42/76/748344276.db2.gz CKSJWHAYCBEXAR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001040943955 748344283 /nfs/dbraw/zinc/34/42/83/748344283.db2.gz CKSJWHAYCBEXAR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001201640993 748569123 /nfs/dbraw/zinc/56/91/23/748569123.db2.gz TYVUTMZTYNCPEZ-UHFFFAOYSA-N 2 1 314.433 1.366 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862873 748612691 /nfs/dbraw/zinc/61/26/91/748612691.db2.gz HFIYUVQKLFMSRG-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033213327 748950433 /nfs/dbraw/zinc/95/04/33/748950433.db2.gz ZRUOGQDUAXEXSY-LSDHHAIUSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033213327 748950437 /nfs/dbraw/zinc/95/04/37/748950437.db2.gz ZRUOGQDUAXEXSY-LSDHHAIUSA-N 2 1 316.449 1.932 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001033269686 749098298 /nfs/dbraw/zinc/09/82/98/749098298.db2.gz UAVXBZDJGUTHIY-OAHLLOKOSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269686 749098310 /nfs/dbraw/zinc/09/83/10/749098310.db2.gz UAVXBZDJGUTHIY-OAHLLOKOSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996312148 749504249 /nfs/dbraw/zinc/50/42/49/749504249.db2.gz WWSJNIWJVJGNNW-GOEBONIOSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001033684323 749712547 /nfs/dbraw/zinc/71/25/47/749712547.db2.gz MMQHPKAXUSAWRX-KRWDZBQOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCC)C2)CC1 ZINC001033686038 749716720 /nfs/dbraw/zinc/71/67/20/749716720.db2.gz YRYQNEPISFRYII-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437370 762031312 /nfs/dbraw/zinc/03/13/12/762031312.db2.gz ILQDSCZUTIQJJD-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039437370 762031320 /nfs/dbraw/zinc/03/13/20/762031320.db2.gz ILQDSCZUTIQJJD-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001039437370 762031328 /nfs/dbraw/zinc/03/13/28/762031328.db2.gz ILQDSCZUTIQJJD-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CCF)C2)CC1 ZINC001034538574 750542427 /nfs/dbraw/zinc/54/24/27/750542427.db2.gz PXUFBOMNMDVPCY-MRXNPFEDSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCF)C2)CC1 ZINC001034538574 750542428 /nfs/dbraw/zinc/54/24/28/750542428.db2.gz PXUFBOMNMDVPCY-MRXNPFEDSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC=C)CC1 ZINC000997149573 750584336 /nfs/dbraw/zinc/58/43/36/750584336.db2.gz QAUXCFRYVSGECA-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC=C)CC1 ZINC000997149573 750584339 /nfs/dbraw/zinc/58/43/39/750584339.db2.gz QAUXCFRYVSGECA-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108399897 762063308 /nfs/dbraw/zinc/06/33/08/762063308.db2.gz ZNAWHHBKQRVQHL-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108399897 762063318 /nfs/dbraw/zinc/06/33/18/762063318.db2.gz ZNAWHHBKQRVQHL-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C[N@H+](C)C(C)C)C2)CC1 ZINC001017266394 750770946 /nfs/dbraw/zinc/77/09/46/750770946.db2.gz KJSRYGXWLCQKAX-QGZVFWFLSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952664 750825903 /nfs/dbraw/zinc/82/59/03/750825903.db2.gz JCUDPQHYNGDQKQ-JFIYKMOQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952664 750825917 /nfs/dbraw/zinc/82/59/17/750825917.db2.gz JCUDPQHYNGDQKQ-JFIYKMOQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952664 750825926 /nfs/dbraw/zinc/82/59/26/750825926.db2.gz JCUDPQHYNGDQKQ-JFIYKMOQSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001032445779 750848821 /nfs/dbraw/zinc/84/88/21/750848821.db2.gz QPDRUFFDKDNACM-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001032445779 750848831 /nfs/dbraw/zinc/84/88/31/750848831.db2.gz QPDRUFFDKDNACM-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001032445779 750848844 /nfs/dbraw/zinc/84/88/44/750848844.db2.gz QPDRUFFDKDNACM-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997635250 751170163 /nfs/dbraw/zinc/17/01/63/751170163.db2.gz ACPRQBRCQFNWIM-HLLBOEOZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997635250 751170167 /nfs/dbraw/zinc/17/01/67/751170167.db2.gz ACPRQBRCQFNWIM-HLLBOEOZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035227064 751306844 /nfs/dbraw/zinc/30/68/44/751306844.db2.gz NMCDIQSCBGNCKE-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227064 751306850 /nfs/dbraw/zinc/30/68/50/751306850.db2.gz NMCDIQSCBGNCKE-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227064 751306855 /nfs/dbraw/zinc/30/68/55/751306855.db2.gz NMCDIQSCBGNCKE-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035245695 751326665 /nfs/dbraw/zinc/32/66/65/751326665.db2.gz YIJMBSPRWIOIIH-UHFFFAOYSA-N 2 1 301.434 1.030 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000715605 762124346 /nfs/dbraw/zinc/12/43/46/762124346.db2.gz TWNLOZKTDRACQP-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715605 762124348 /nfs/dbraw/zinc/12/43/48/762124348.db2.gz TWNLOZKTDRACQP-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715605 762124352 /nfs/dbraw/zinc/12/43/52/762124352.db2.gz TWNLOZKTDRACQP-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001009627213 753287466 /nfs/dbraw/zinc/28/74/66/753287466.db2.gz KYWVASOIBOQOEY-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077981673 753555764 /nfs/dbraw/zinc/55/57/64/753555764.db2.gz WWJRPQKHWDGIEI-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077981673 753555767 /nfs/dbraw/zinc/55/57/67/753555767.db2.gz WWJRPQKHWDGIEI-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077980397 753556613 /nfs/dbraw/zinc/55/66/13/753556613.db2.gz VETKNIJMXJHFEF-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077980397 753556617 /nfs/dbraw/zinc/55/66/17/753556617.db2.gz VETKNIJMXJHFEF-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077980397 753556618 /nfs/dbraw/zinc/55/66/18/753556618.db2.gz VETKNIJMXJHFEF-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077980397 753556620 /nfs/dbraw/zinc/55/66/20/753556620.db2.gz VETKNIJMXJHFEF-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001835733 754531115 /nfs/dbraw/zinc/53/11/15/754531115.db2.gz ZLUFGBBPUKUULL-RDJZCZTQSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081766856 756472731 /nfs/dbraw/zinc/47/27/31/756472731.db2.gz GTDPJPCLJRMNPT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766856 756472735 /nfs/dbraw/zinc/47/27/35/756472735.db2.gz GTDPJPCLJRMNPT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081766856 756472737 /nfs/dbraw/zinc/47/27/37/756472737.db2.gz GTDPJPCLJRMNPT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799121 756483922 /nfs/dbraw/zinc/48/39/22/756483922.db2.gz DBTQKYRTWQSCSC-RBSFLKMASA-N 2 1 318.421 1.152 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799121 756483925 /nfs/dbraw/zinc/48/39/25/756483925.db2.gz DBTQKYRTWQSCSC-RBSFLKMASA-N 2 1 318.421 1.152 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001082192023 756669979 /nfs/dbraw/zinc/66/99/79/756669979.db2.gz QQMVFMMGJBKPRX-HUUCEWRRSA-N 2 1 320.437 1.398 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](OC)C1 ZINC001082192023 756669981 /nfs/dbraw/zinc/66/99/81/756669981.db2.gz QQMVFMMGJBKPRX-HUUCEWRRSA-N 2 1 320.437 1.398 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001082555707 756851948 /nfs/dbraw/zinc/85/19/48/756851948.db2.gz FGCQZOMIBOXLDJ-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219073 756988266 /nfs/dbraw/zinc/98/82/66/756988266.db2.gz RTAWFIBZNGDCOZ-APIJFGDWSA-N 2 1 300.406 1.668 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097219073 756988271 /nfs/dbraw/zinc/98/82/71/756988271.db2.gz RTAWFIBZNGDCOZ-APIJFGDWSA-N 2 1 300.406 1.668 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016664465 757249027 /nfs/dbraw/zinc/24/90/27/757249027.db2.gz XUJPSYBGXPOZHG-LSDHHAIUSA-N 2 1 312.417 1.364 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001082489 762533940 /nfs/dbraw/zinc/53/39/40/762533940.db2.gz UWPCAFPRMMHZMO-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001082489 762533946 /nfs/dbraw/zinc/53/39/46/762533946.db2.gz UWPCAFPRMMHZMO-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001082489 762533954 /nfs/dbraw/zinc/53/39/54/762533954.db2.gz UWPCAFPRMMHZMO-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016793797 757359319 /nfs/dbraw/zinc/35/93/19/757359319.db2.gz QHFUZMBRUOEPML-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016969822 757518104 /nfs/dbraw/zinc/51/81/04/757518104.db2.gz PJCZXQSAFLJFQN-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001017599975 758065742 /nfs/dbraw/zinc/06/57/42/758065742.db2.gz CXKXXDVBNPHDOK-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001017599975 758065749 /nfs/dbraw/zinc/06/57/49/758065749.db2.gz CXKXXDVBNPHDOK-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001017599975 758065758 /nfs/dbraw/zinc/06/57/58/758065758.db2.gz CXKXXDVBNPHDOK-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001017599975 758065768 /nfs/dbraw/zinc/06/57/68/758065768.db2.gz CXKXXDVBNPHDOK-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963477 758102182 /nfs/dbraw/zinc/10/21/82/758102182.db2.gz XTHMQJPNRSYMHD-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963477 758102187 /nfs/dbraw/zinc/10/21/87/758102187.db2.gz XTHMQJPNRSYMHD-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963477 758102192 /nfs/dbraw/zinc/10/21/92/758102192.db2.gz XTHMQJPNRSYMHD-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085100814 758236888 /nfs/dbraw/zinc/23/68/88/758236888.db2.gz FNNANUBPSAVSJE-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001053582161 758593806 /nfs/dbraw/zinc/59/38/06/758593806.db2.gz ALPNKHJQRCSUIH-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001018276793 758690366 /nfs/dbraw/zinc/69/03/66/758690366.db2.gz JHIUONWCNFPAGK-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001018276793 758690372 /nfs/dbraw/zinc/69/03/72/758690372.db2.gz JHIUONWCNFPAGK-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371786 759241744 /nfs/dbraw/zinc/24/17/44/759241744.db2.gz GXTDVYHWPVVBLF-NVXWUHKLSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371786 759241749 /nfs/dbraw/zinc/24/17/49/759241749.db2.gz GXTDVYHWPVVBLF-NVXWUHKLSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371786 759241755 /nfs/dbraw/zinc/24/17/55/759241755.db2.gz GXTDVYHWPVVBLF-NVXWUHKLSA-N 2 1 323.481 1.188 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974571 760321230 /nfs/dbraw/zinc/32/12/30/760321230.db2.gz RAVKHZMVQQGBFS-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974571 760321239 /nfs/dbraw/zinc/32/12/39/760321239.db2.gz RAVKHZMVQQGBFS-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974571 760321248 /nfs/dbraw/zinc/32/12/48/760321248.db2.gz RAVKHZMVQQGBFS-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974571 760321256 /nfs/dbraw/zinc/32/12/56/760321256.db2.gz RAVKHZMVQQGBFS-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086110050 760995751 /nfs/dbraw/zinc/99/57/51/760995751.db2.gz RJVQTZNLOKBVLB-KSZLIROESA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001086110050 760995755 /nfs/dbraw/zinc/99/57/55/760995755.db2.gz RJVQTZNLOKBVLB-KSZLIROESA-N 2 1 317.477 1.759 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001038504229 761161673 /nfs/dbraw/zinc/16/16/73/761161673.db2.gz XPXNOGKKNKETJX-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001001521050 762934618 /nfs/dbraw/zinc/93/46/18/762934618.db2.gz HDDOFSXZMJCLRA-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804745 762954030 /nfs/dbraw/zinc/95/40/30/762954030.db2.gz XDDKADUIUUYBFD-BBWFWOEESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041375151 762987464 /nfs/dbraw/zinc/98/74/64/762987464.db2.gz LLFRJFRLPLTLQU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041375151 762987470 /nfs/dbraw/zinc/98/74/70/762987470.db2.gz LLFRJFRLPLTLQU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041375151 762987476 /nfs/dbraw/zinc/98/74/76/762987476.db2.gz LLFRJFRLPLTLQU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041399606 763005193 /nfs/dbraw/zinc/00/51/93/763005193.db2.gz PYAGNMQEBJUODN-GOSISDBHSA-N 2 1 315.461 1.420 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050047537 763060556 /nfs/dbraw/zinc/06/05/56/763060556.db2.gz MJCPROXYBQLZMO-OKZBNKHCSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624583 763184719 /nfs/dbraw/zinc/18/47/19/763184719.db2.gz BLBHNLIPGAEZHB-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050206304 763319994 /nfs/dbraw/zinc/31/99/94/763319994.db2.gz GSOJIDILCSVVGS-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050206304 763320004 /nfs/dbraw/zinc/32/00/04/763320004.db2.gz GSOJIDILCSVVGS-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206304 763320013 /nfs/dbraw/zinc/32/00/13/763320013.db2.gz GSOJIDILCSVVGS-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206304 763320028 /nfs/dbraw/zinc/32/00/28/763320028.db2.gz GSOJIDILCSVVGS-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC)C[C@H]32)CC1 ZINC001050208815 763326029 /nfs/dbraw/zinc/32/60/29/763326029.db2.gz RQCUJZMCGLQWTB-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041835574 763388813 /nfs/dbraw/zinc/38/88/13/763388813.db2.gz UUCXWGNAWMFKOV-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041835574 763388821 /nfs/dbraw/zinc/38/88/21/763388821.db2.gz UUCXWGNAWMFKOV-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169992040 763554063 /nfs/dbraw/zinc/55/40/63/763554063.db2.gz UKPIAHVEKQQBKC-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169992040 763554065 /nfs/dbraw/zinc/55/40/65/763554065.db2.gz UKPIAHVEKQQBKC-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001046953197 768147714 /nfs/dbraw/zinc/14/77/14/768147714.db2.gz HBOKKHBTILJBNI-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046953197 768147717 /nfs/dbraw/zinc/14/77/17/768147717.db2.gz HBOKKHBTILJBNI-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046953197 768147721 /nfs/dbraw/zinc/14/77/21/768147721.db2.gz HBOKKHBTILJBNI-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046953197 768147723 /nfs/dbraw/zinc/14/77/23/768147723.db2.gz HBOKKHBTILJBNI-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001158376848 768152053 /nfs/dbraw/zinc/15/20/53/768152053.db2.gz CRMKURJLTPQSBX-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158376848 768152055 /nfs/dbraw/zinc/15/20/55/768152055.db2.gz CRMKURJLTPQSBX-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001158376848 768152058 /nfs/dbraw/zinc/15/20/58/768152058.db2.gz CRMKURJLTPQSBX-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)CC1 ZINC001050630396 763840838 /nfs/dbraw/zinc/84/08/38/763840838.db2.gz NUZALZJFLRFARV-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046992775 768175756 /nfs/dbraw/zinc/17/57/56/768175756.db2.gz CINOLRVYEQALPB-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992775 768175761 /nfs/dbraw/zinc/17/57/61/768175761.db2.gz CINOLRVYEQALPB-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992775 768175766 /nfs/dbraw/zinc/17/57/66/768175766.db2.gz CINOLRVYEQALPB-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046993928 768177453 /nfs/dbraw/zinc/17/74/53/768177453.db2.gz ZUFRVNPZIPCZTI-CHWSQXEVSA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993928 768177454 /nfs/dbraw/zinc/17/74/54/768177454.db2.gz ZUFRVNPZIPCZTI-CHWSQXEVSA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993928 768177455 /nfs/dbraw/zinc/17/74/55/768177455.db2.gz ZUFRVNPZIPCZTI-CHWSQXEVSA-N 2 1 301.381 1.198 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C)CC1 ZINC001157092334 764410496 /nfs/dbraw/zinc/41/04/96/764410496.db2.gz RZHKZCBJLVKMCT-MRXNPFEDSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131681757 768259056 /nfs/dbraw/zinc/25/90/56/768259056.db2.gz HVEKMVUHCVZYPA-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131682621 768259385 /nfs/dbraw/zinc/25/93/85/768259385.db2.gz QXWCRLDQHDHWMI-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001044679788 765748016 /nfs/dbraw/zinc/74/80/16/765748016.db2.gz BZBZREOAWLRHAI-LSDHHAIUSA-N 2 1 316.449 1.917 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052369313 765765358 /nfs/dbraw/zinc/76/53/58/765765358.db2.gz QKRSMWMODNDAPS-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052369313 765765361 /nfs/dbraw/zinc/76/53/61/765765361.db2.gz QKRSMWMODNDAPS-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052369313 765765365 /nfs/dbraw/zinc/76/53/65/765765365.db2.gz QKRSMWMODNDAPS-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052437850 765825969 /nfs/dbraw/zinc/82/59/69/765825969.db2.gz JYWDXJUQKAGUEL-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052437850 765825977 /nfs/dbraw/zinc/82/59/77/765825977.db2.gz JYWDXJUQKAGUEL-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052437850 765825985 /nfs/dbraw/zinc/82/59/85/765825985.db2.gz JYWDXJUQKAGUEL-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591080 765978220 /nfs/dbraw/zinc/97/82/20/765978220.db2.gz MQCFFJFBLNAVDV-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591750 765978711 /nfs/dbraw/zinc/97/87/11/765978711.db2.gz SEQFSBPSFXPHBG-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096017333 766197074 /nfs/dbraw/zinc/19/70/74/766197074.db2.gz LXPMGFNELFVBJO-LLDVTBCESA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096017333 766197076 /nfs/dbraw/zinc/19/70/76/766197076.db2.gz LXPMGFNELFVBJO-LLDVTBCESA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096017333 766197082 /nfs/dbraw/zinc/19/70/82/766197082.db2.gz LXPMGFNELFVBJO-LLDVTBCESA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096017333 766197097 /nfs/dbraw/zinc/19/70/97/766197097.db2.gz LXPMGFNELFVBJO-LLDVTBCESA-N 2 1 321.440 1.554 20 30 DDEDMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170362251 766263977 /nfs/dbraw/zinc/26/39/77/766263977.db2.gz RZEVURKYRFWQDB-NXVRBGIVSA-N 2 1 315.417 1.728 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461815 766323621 /nfs/dbraw/zinc/32/36/21/766323621.db2.gz OZKQCNAZNLXZJI-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945762 766729886 /nfs/dbraw/zinc/72/98/86/766729886.db2.gz ZEKNPTPXEDMQKW-HKUYNNGSSA-N 2 1 319.493 1.910 20 30 DDEDMP N#Cc1cccc(C[NH2+]CCNC(=O)[C@H]2CCCc3[nH+]ccn32)c1 ZINC001129418916 766877505 /nfs/dbraw/zinc/87/75/05/766877505.db2.gz YCTHLQRPURJNNA-MRXNPFEDSA-N 2 1 323.400 1.538 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001130297782 767417781 /nfs/dbraw/zinc/41/77/81/767417781.db2.gz RIUKDIQWZKORMF-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047409295 768458995 /nfs/dbraw/zinc/45/89/95/768458995.db2.gz REFIRUFIBJLYLS-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047409295 768459000 /nfs/dbraw/zinc/45/90/00/768459000.db2.gz REFIRUFIBJLYLS-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047409295 768459005 /nfs/dbraw/zinc/45/90/05/768459005.db2.gz REFIRUFIBJLYLS-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001047443357 768480496 /nfs/dbraw/zinc/48/04/96/768480496.db2.gz DUANSQXORYWBDE-HOTGVXAUSA-N 2 1 314.389 1.028 20 30 DDEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001047595222 768597847 /nfs/dbraw/zinc/59/78/47/768597847.db2.gz SGFSKHBJFYGDET-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001047595222 768597851 /nfs/dbraw/zinc/59/78/51/768597851.db2.gz SGFSKHBJFYGDET-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001047595222 768597853 /nfs/dbraw/zinc/59/78/53/768597853.db2.gz SGFSKHBJFYGDET-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001047595222 768597856 /nfs/dbraw/zinc/59/78/56/768597856.db2.gz SGFSKHBJFYGDET-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132934111 769333623 /nfs/dbraw/zinc/33/36/23/769333623.db2.gz ZJGBFODKUVXDRN-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627706 769743700 /nfs/dbraw/zinc/74/37/00/769743700.db2.gz JUNNZNMLMMKRMG-ZFWWWQNUSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627706 769743709 /nfs/dbraw/zinc/74/37/09/769743709.db2.gz JUNNZNMLMMKRMG-ZFWWWQNUSA-N 2 1 310.401 1.859 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824214 769948537 /nfs/dbraw/zinc/94/85/37/769948537.db2.gz VLHLLWUEHNSRQW-BBWFWOEESA-N 2 1 303.450 1.295 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048911646 770098763 /nfs/dbraw/zinc/09/87/63/770098763.db2.gz NATQVNAHWPDTTD-IYBDPMFKSA-N 2 1 322.412 1.670 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006366 770241492 /nfs/dbraw/zinc/24/14/92/770241492.db2.gz XQLQLVXNAWWANK-BBWFWOEESA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006366 770241497 /nfs/dbraw/zinc/24/14/97/770241497.db2.gz XQLQLVXNAWWANK-BBWFWOEESA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006366 770241499 /nfs/dbraw/zinc/24/14/99/770241499.db2.gz XQLQLVXNAWWANK-BBWFWOEESA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006366 770241504 /nfs/dbraw/zinc/24/15/04/770241504.db2.gz XQLQLVXNAWWANK-BBWFWOEESA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171079 770494687 /nfs/dbraw/zinc/49/46/87/770494687.db2.gz JXMSRMCODMQYFX-MWDXBVQZSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)CC[C@H]1C ZINC001072095399 770535482 /nfs/dbraw/zinc/53/54/82/770535482.db2.gz HTAYGTWMIMEAEY-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086717247 770646167 /nfs/dbraw/zinc/64/61/67/770646167.db2.gz NTYADYPXRDZWRM-ZNMIVQPWSA-N 2 1 300.406 1.268 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049524481 770976104 /nfs/dbraw/zinc/97/61/04/770976104.db2.gz MLQUMLMURDQAJF-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049536809 770996902 /nfs/dbraw/zinc/99/69/02/770996902.db2.gz OLKCRMYRMKXEAX-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049536809 770996909 /nfs/dbraw/zinc/99/69/09/770996909.db2.gz OLKCRMYRMKXEAX-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001049536809 770996915 /nfs/dbraw/zinc/99/69/15/770996915.db2.gz OLKCRMYRMKXEAX-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001091068983 772505611 /nfs/dbraw/zinc/50/56/11/772505611.db2.gz LSZYMTZZSXYLRI-DQPZFDDXSA-N 2 1 321.465 1.300 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477538 773482695 /nfs/dbraw/zinc/48/26/95/773482695.db2.gz WXVFAIIRWUZNHC-QGZVFWFLSA-N 2 1 319.493 1.910 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001148570554 773514995 /nfs/dbraw/zinc/51/49/95/773514995.db2.gz GKHLCQFFAIFFIA-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910281 773712113 /nfs/dbraw/zinc/71/21/13/773712113.db2.gz QBLKDDWAIBXFCP-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)C)CC1 ZINC001098461350 774586789 /nfs/dbraw/zinc/58/67/89/774586789.db2.gz XHDOVQQIRQFXPV-KURKYZTESA-N 2 1 315.461 1.629 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098845540 774692967 /nfs/dbraw/zinc/69/29/67/774692967.db2.gz ZISQNYWLCAXKMZ-HPFXQQBRSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098845540 774692971 /nfs/dbraw/zinc/69/29/71/774692971.db2.gz ZISQNYWLCAXKMZ-HPFXQQBRSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098845540 774692975 /nfs/dbraw/zinc/69/29/75/774692975.db2.gz ZISQNYWLCAXKMZ-HPFXQQBRSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036819952 774747075 /nfs/dbraw/zinc/74/70/75/774747075.db2.gz AGGMIIUABRHCEY-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036819952 774747077 /nfs/dbraw/zinc/74/70/77/774747077.db2.gz AGGMIIUABRHCEY-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001093517093 774768456 /nfs/dbraw/zinc/76/84/56/774768456.db2.gz UJDCUERVVKBTOB-KRWDZBQOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093517093 774768458 /nfs/dbraw/zinc/76/84/58/774768458.db2.gz UJDCUERVVKBTOB-KRWDZBQOSA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099026962 774779371 /nfs/dbraw/zinc/77/93/71/774779371.db2.gz IRIIYTXFPSGTLT-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099026962 774779376 /nfs/dbraw/zinc/77/93/76/774779376.db2.gz IRIIYTXFPSGTLT-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001099026962 774779378 /nfs/dbraw/zinc/77/93/78/774779378.db2.gz IRIIYTXFPSGTLT-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099027527 774780188 /nfs/dbraw/zinc/78/01/88/774780188.db2.gz MZPRXXXNDCLQES-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001099027527 774780189 /nfs/dbraw/zinc/78/01/89/774780189.db2.gz MZPRXXXNDCLQES-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001099027527 774780192 /nfs/dbraw/zinc/78/01/92/774780192.db2.gz MZPRXXXNDCLQES-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099145143 774863298 /nfs/dbraw/zinc/86/32/98/774863298.db2.gz RNLLKPIFRYWHGQ-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099145143 774863304 /nfs/dbraw/zinc/86/33/04/774863304.db2.gz RNLLKPIFRYWHGQ-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854886 774943693 /nfs/dbraw/zinc/94/36/93/774943693.db2.gz RVOLRVYLHYVPFJ-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036872169 775010384 /nfs/dbraw/zinc/01/03/84/775010384.db2.gz XENXNCWFLFRZAH-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CC)C1 ZINC001099544507 775022582 /nfs/dbraw/zinc/02/25/82/775022582.db2.gz QCVAVHCGRIINCK-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544507 775022589 /nfs/dbraw/zinc/02/25/89/775022589.db2.gz QCVAVHCGRIINCK-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544507 775022596 /nfs/dbraw/zinc/02/25/96/775022596.db2.gz QCVAVHCGRIINCK-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081743 775656423 /nfs/dbraw/zinc/65/64/23/775656423.db2.gz XVJLIVGGWZWMED-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115864 775700054 /nfs/dbraw/zinc/70/00/54/775700054.db2.gz GVSSLZZDOSBLRC-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904235 776081940 /nfs/dbraw/zinc/08/19/40/776081940.db2.gz ONGNYJZTNQHLEF-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904881 776082150 /nfs/dbraw/zinc/08/21/50/776082150.db2.gz YTODXACDIAYTSM-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174890074 777611872 /nfs/dbraw/zinc/61/18/72/777611872.db2.gz OZVOQPGBAVLXFG-HOTGVXAUSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174890074 777611877 /nfs/dbraw/zinc/61/18/77/777611877.db2.gz OZVOQPGBAVLXFG-HOTGVXAUSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001176283969 778101767 /nfs/dbraw/zinc/10/17/67/778101767.db2.gz BZAQUYXEPXEDPY-MRXNPFEDSA-N 2 1 313.486 1.795 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001177079128 778431921 /nfs/dbraw/zinc/43/19/21/778431921.db2.gz AIYQDMAGDNGBGL-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001177079128 778431926 /nfs/dbraw/zinc/43/19/26/778431926.db2.gz AIYQDMAGDNGBGL-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977384 778519754 /nfs/dbraw/zinc/51/97/54/778519754.db2.gz YRRZVSMYBFHLKP-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977384 778519758 /nfs/dbraw/zinc/51/97/58/778519758.db2.gz YRRZVSMYBFHLKP-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977384 778519764 /nfs/dbraw/zinc/51/97/64/778519764.db2.gz YRRZVSMYBFHLKP-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939522 779571740 /nfs/dbraw/zinc/57/17/40/779571740.db2.gz FDHFMHODGXEIDA-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359675 779736568 /nfs/dbraw/zinc/73/65/68/779736568.db2.gz DUTOSERGTMVCQG-HPFXQQBRSA-N 2 1 305.466 1.731 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112436953 779778091 /nfs/dbraw/zinc/77/80/91/779778091.db2.gz PORUOANYWSAYND-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001267277011 837727072 /nfs/dbraw/zinc/72/70/72/837727072.db2.gz XMUWKBNPGJYUKW-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001267277011 837727079 /nfs/dbraw/zinc/72/70/79/837727079.db2.gz XMUWKBNPGJYUKW-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001267277011 837727084 /nfs/dbraw/zinc/72/70/84/837727084.db2.gz XMUWKBNPGJYUKW-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001266247808 835984557 /nfs/dbraw/zinc/98/45/57/835984557.db2.gz XABBWTZDXGPGBA-QGZVFWFLSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+](C)C(C)C ZINC001266247808 835984568 /nfs/dbraw/zinc/98/45/68/835984568.db2.gz XABBWTZDXGPGBA-QGZVFWFLSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001266247808 835984579 /nfs/dbraw/zinc/98/45/79/835984579.db2.gz XABBWTZDXGPGBA-QGZVFWFLSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001266336339 836136116 /nfs/dbraw/zinc/13/61/16/836136116.db2.gz NNFNZDXFPFWRFU-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001266336339 836136121 /nfs/dbraw/zinc/13/61/21/836136121.db2.gz NNFNZDXFPFWRFU-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001266336339 836136126 /nfs/dbraw/zinc/13/61/26/836136126.db2.gz NNFNZDXFPFWRFU-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266858667 836950966 /nfs/dbraw/zinc/95/09/66/836950966.db2.gz VCMVNSSNFDSZJV-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266858667 836950973 /nfs/dbraw/zinc/95/09/73/836950973.db2.gz VCMVNSSNFDSZJV-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267111170 837368752 /nfs/dbraw/zinc/36/87/52/837368752.db2.gz GUUGWZUPKUYBMH-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267111170 837368761 /nfs/dbraw/zinc/36/87/61/837368761.db2.gz GUUGWZUPKUYBMH-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001267496013 838180488 /nfs/dbraw/zinc/18/04/88/838180488.db2.gz KDAPYWFLJFQPSG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267496013 838180498 /nfs/dbraw/zinc/18/04/98/838180498.db2.gz KDAPYWFLJFQPSG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267496013 838180507 /nfs/dbraw/zinc/18/05/07/838180507.db2.gz KDAPYWFLJFQPSG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267496013 838180514 /nfs/dbraw/zinc/18/05/14/838180514.db2.gz KDAPYWFLJFQPSG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001267496015 838181447 /nfs/dbraw/zinc/18/14/47/838181447.db2.gz KDAPYWFLJFQPSG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267496015 838181451 /nfs/dbraw/zinc/18/14/51/838181451.db2.gz KDAPYWFLJFQPSG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267496015 838181456 /nfs/dbraw/zinc/18/14/56/838181456.db2.gz KDAPYWFLJFQPSG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267496015 838181461 /nfs/dbraw/zinc/18/14/61/838181461.db2.gz KDAPYWFLJFQPSG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267548206 838285419 /nfs/dbraw/zinc/28/54/19/838285419.db2.gz AHTSBSLYFWDVDS-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001267705482 838685704 /nfs/dbraw/zinc/68/57/04/838685704.db2.gz BXGSPANVTACMIM-ULQDDVLXSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267705482 838685707 /nfs/dbraw/zinc/68/57/07/838685707.db2.gz BXGSPANVTACMIM-ULQDDVLXSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001267705482 838685714 /nfs/dbraw/zinc/68/57/14/838685714.db2.gz BXGSPANVTACMIM-ULQDDVLXSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001267705482 838685717 /nfs/dbraw/zinc/68/57/17/838685717.db2.gz BXGSPANVTACMIM-ULQDDVLXSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267710849 838696382 /nfs/dbraw/zinc/69/63/82/838696382.db2.gz BCVMHYZFCARUQR-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267710849 838696386 /nfs/dbraw/zinc/69/63/86/838696386.db2.gz BCVMHYZFCARUQR-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267830282 839045837 /nfs/dbraw/zinc/04/58/37/839045837.db2.gz BLZCQJHIWPIAGW-SJORKVTESA-N 2 1 301.434 1.797 20 30 DDEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268083919 839664164 /nfs/dbraw/zinc/66/41/64/839664164.db2.gz CTLVHUBPPMARCY-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001268419328 840158868 /nfs/dbraw/zinc/15/88/68/840158868.db2.gz ZKUPCRSCNDZEGH-NVXWUHKLSA-N 2 1 301.434 1.797 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCCC1 ZINC001269604633 841810877 /nfs/dbraw/zinc/81/08/77/841810877.db2.gz GMRJAPWRGRKIGW-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCCC1 ZINC001269604633 841810887 /nfs/dbraw/zinc/81/08/87/841810887.db2.gz GMRJAPWRGRKIGW-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001269604633 841810901 /nfs/dbraw/zinc/81/09/01/841810901.db2.gz GMRJAPWRGRKIGW-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001269604633 841810916 /nfs/dbraw/zinc/81/09/16/841810916.db2.gz GMRJAPWRGRKIGW-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001269672604 841921569 /nfs/dbraw/zinc/92/15/69/841921569.db2.gz XIFSTFHUEZQHKF-YOEHRIQHSA-N 2 1 302.422 1.479 20 30 DDEDMP C=CCCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001269738086 841989586 /nfs/dbraw/zinc/98/95/86/841989586.db2.gz YJPQWZAUOUPSJY-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269738086 841989589 /nfs/dbraw/zinc/98/95/89/841989589.db2.gz YJPQWZAUOUPSJY-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269738086 841989591 /nfs/dbraw/zinc/98/95/91/841989591.db2.gz YJPQWZAUOUPSJY-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001271292502 843469840 /nfs/dbraw/zinc/46/98/40/843469840.db2.gz BTGLAVUIMJSWER-HZPDHXFCSA-N 2 1 316.449 1.508 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001326557610 861445896 /nfs/dbraw/zinc/44/58/96/861445896.db2.gz CQHBJFICAVUBPW-XSLAGTTESA-N 2 1 317.477 1.901 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001271748896 843836493 /nfs/dbraw/zinc/83/64/93/843836493.db2.gz BVRLAWLLYRPDTG-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP N#CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001273030179 847813332 /nfs/dbraw/zinc/81/33/32/847813332.db2.gz MEVNUQBZQUYIEG-GOSISDBHSA-N 2 1 318.465 1.747 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034211855 848119216 /nfs/dbraw/zinc/11/92/16/848119216.db2.gz PEDWMKUXSORKTG-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@@H+](C)CCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001327277561 862022574 /nfs/dbraw/zinc/02/25/74/862022574.db2.gz SXQNQGUERKLAIH-UHFFFAOYSA-N 2 1 313.405 1.847 20 30 DDEDMP C=CC[N@H+](C)CCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001327277561 862022589 /nfs/dbraw/zinc/02/25/89/862022589.db2.gz SXQNQGUERKLAIH-UHFFFAOYSA-N 2 1 313.405 1.847 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150393875 862217548 /nfs/dbraw/zinc/21/75/48/862217548.db2.gz DZYAOZWOOMNMIZ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150393875 862217561 /nfs/dbraw/zinc/21/75/61/862217561.db2.gz DZYAOZWOOMNMIZ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001273863094 851435833 /nfs/dbraw/zinc/43/58/33/851435833.db2.gz GDJUZXRDCIAIIH-CRAIPNDOSA-N 2 1 323.481 1.236 20 30 DDEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCCCC#N ZINC001274043157 851882581 /nfs/dbraw/zinc/88/25/81/851882581.db2.gz MLFNVNWUUBPCOY-KRWDZBQOSA-N 2 1 306.454 1.699 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150589519 862333802 /nfs/dbraw/zinc/33/38/02/862333802.db2.gz UTBLZSRYFRXZJL-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150589519 862333823 /nfs/dbraw/zinc/33/38/23/862333823.db2.gz UTBLZSRYFRXZJL-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150589519 862333836 /nfs/dbraw/zinc/33/38/36/862333836.db2.gz UTBLZSRYFRXZJL-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001274550738 852385424 /nfs/dbraw/zinc/38/54/24/852385424.db2.gz ZQQPXSFQKVHYNS-INIZCTEOSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274621839 852455153 /nfs/dbraw/zinc/45/51/53/852455153.db2.gz XZPRQFRVDRXWOJ-FUHWJXTLSA-N 2 1 323.481 1.332 20 30 DDEDMP Cc1ccc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cc1C#N ZINC001275373646 853033159 /nfs/dbraw/zinc/03/31/59/853033159.db2.gz JZXOQHOFZKWDGV-UHFFFAOYSA-N 2 1 312.461 1.936 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275698850 853589211 /nfs/dbraw/zinc/58/92/11/853589211.db2.gz UJMROCIPIAGOAZ-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155829113 862483296 /nfs/dbraw/zinc/48/32/96/862483296.db2.gz DMRRVQYHIYVRBV-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155829113 862483306 /nfs/dbraw/zinc/48/33/06/862483306.db2.gz DMRRVQYHIYVRBV-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928070 853962999 /nfs/dbraw/zinc/96/29/99/853962999.db2.gz DJGXWRZBCWQKTR-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928070 853963003 /nfs/dbraw/zinc/96/30/03/853963003.db2.gz DJGXWRZBCWQKTR-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCOc1cccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001276091013 854747047 /nfs/dbraw/zinc/74/70/47/854747047.db2.gz IPDGJOLFGQKFHZ-UHFFFAOYSA-N 2 1 315.461 1.931 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC001276242897 855036109 /nfs/dbraw/zinc/03/61/09/855036109.db2.gz SCXWCMGKCQYCAL-ROUUACIJSA-N 2 1 316.424 1.908 20 30 DDEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001151326774 862728989 /nfs/dbraw/zinc/72/89/89/862728989.db2.gz KFNFDPOADRMJDW-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072799056 857714913 /nfs/dbraw/zinc/71/49/13/857714913.db2.gz FRLYROBBIPUAKK-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799056 857714920 /nfs/dbraw/zinc/71/49/20/857714920.db2.gz FRLYROBBIPUAKK-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799056 857714922 /nfs/dbraw/zinc/71/49/22/857714922.db2.gz FRLYROBBIPUAKK-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072813472 857742931 /nfs/dbraw/zinc/74/29/31/857742931.db2.gz SSHSFGPMFHPBEQ-AWEZNQCLSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072813472 857742934 /nfs/dbraw/zinc/74/29/34/857742934.db2.gz SSHSFGPMFHPBEQ-AWEZNQCLSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599424 858473123 /nfs/dbraw/zinc/47/31/23/858473123.db2.gz FARRMSWYSZNYGT-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599424 858473127 /nfs/dbraw/zinc/47/31/27/858473127.db2.gz FARRMSWYSZNYGT-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599424 858473129 /nfs/dbraw/zinc/47/31/29/858473129.db2.gz FARRMSWYSZNYGT-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001202939309 860417534 /nfs/dbraw/zinc/41/75/34/860417534.db2.gz FGTMDPNJLGJJBX-UHFFFAOYSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001329472967 863685269 /nfs/dbraw/zinc/68/52/69/863685269.db2.gz VXOZUXZUCQVBNJ-HZPDHXFCSA-N 2 1 304.438 1.930 20 30 DDEDMP CC#CCN(C)[C@H](C)CNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001329472967 863685273 /nfs/dbraw/zinc/68/52/73/863685273.db2.gz VXOZUXZUCQVBNJ-HZPDHXFCSA-N 2 1 304.438 1.930 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153824040 864133742 /nfs/dbraw/zinc/13/37/42/864133742.db2.gz IIGZGOCFSYXFJB-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153824040 864133747 /nfs/dbraw/zinc/13/37/47/864133747.db2.gz IIGZGOCFSYXFJB-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331712473 865268006 /nfs/dbraw/zinc/26/80/06/865268006.db2.gz PMCMIPHQWVMMRW-CVEARBPZSA-N 2 1 323.481 1.284 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC1(C)C ZINC001332428286 865835004 /nfs/dbraw/zinc/83/50/04/865835004.db2.gz OCICAOXYBODGSA-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1CC ZINC001323147680 866382923 /nfs/dbraw/zinc/38/29/23/866382923.db2.gz HMWBIFPGJQHHOP-HOTGVXAUSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001323642545 866743852 /nfs/dbraw/zinc/74/38/52/866743852.db2.gz NQFRDTUDUBICPD-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)CC[N@H+](C)CC)C2)CC1 ZINC001324353405 867223343 /nfs/dbraw/zinc/22/33/43/867223343.db2.gz RKCPBLNIGLNHTG-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@@H+](CCC(C)(C)O)C1CC[NH+](CCC(C)(C)O)CC1 ZINC001336832054 869171158 /nfs/dbraw/zinc/17/11/58/869171158.db2.gz BBVPEQQYYJTPHG-UHFFFAOYSA-N 2 1 310.482 1.708 20 30 DDEDMP C#CC[N@H+](CCC(C)(C)O)C1CC[NH+](CCC(C)(C)O)CC1 ZINC001336832054 869171163 /nfs/dbraw/zinc/17/11/63/869171163.db2.gz BBVPEQQYYJTPHG-UHFFFAOYSA-N 2 1 310.482 1.708 20 30 DDEDMP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317241242 870524592 /nfs/dbraw/zinc/52/45/92/870524592.db2.gz LBNJDWIHFLXXSC-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203640468 870691884 /nfs/dbraw/zinc/69/18/84/870691884.db2.gz CGPOSIUUTVTKOE-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]CC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001340057010 870868204 /nfs/dbraw/zinc/86/82/04/870868204.db2.gz RTPORKAHLBWSOP-FUHWJXTLSA-N 2 1 313.445 1.893 20 30 DDEDMP CC#CC[N@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317483388 870901033 /nfs/dbraw/zinc/90/10/33/870901033.db2.gz DUDUOUVYSORDOK-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317483388 870901039 /nfs/dbraw/zinc/90/10/39/870901039.db2.gz DUDUOUVYSORDOK-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001317685920 871407674 /nfs/dbraw/zinc/40/76/74/871407674.db2.gz MKBICWAXQVAUQR-LSDHHAIUSA-N 2 1 316.449 1.828 20 30 DDEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1 ZINC001205242143 871453746 /nfs/dbraw/zinc/45/37/46/871453746.db2.gz WWGBSHVRYMNROO-GOSISDBHSA-N 2 1 316.449 1.712 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205518665 871602687 /nfs/dbraw/zinc/60/26/87/871602687.db2.gz GHVPGIMRJMISSS-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001316762978 872009128 /nfs/dbraw/zinc/00/91/28/872009128.db2.gz IDZUZDDCMABSFT-QGZVFWFLSA-N 2 1 323.481 1.289 20 30 DDEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001316762978 872009140 /nfs/dbraw/zinc/00/91/40/872009140.db2.gz IDZUZDDCMABSFT-QGZVFWFLSA-N 2 1 323.481 1.289 20 30 DDEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001316762978 872009150 /nfs/dbraw/zinc/00/91/50/872009150.db2.gz IDZUZDDCMABSFT-QGZVFWFLSA-N 2 1 323.481 1.289 20 30 DDEDMP C=CCC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCCC1 ZINC001318663066 872190575 /nfs/dbraw/zinc/19/05/75/872190575.db2.gz GMKWSJSHKDVKIF-UHFFFAOYSA-N 2 1 309.454 1.303 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001319231151 872511971 /nfs/dbraw/zinc/51/19/71/872511971.db2.gz FBTGGHUPFBPZCL-HIFRSBDPSA-N 2 1 302.422 1.119 20 30 DDEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001319516699 872672620 /nfs/dbraw/zinc/67/26/20/872672620.db2.gz ZQVLSRWLZAAWEF-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207757785 873536889 /nfs/dbraw/zinc/53/68/89/873536889.db2.gz MLZJVSOBGAPQFU-HUUCEWRRSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757785 873536897 /nfs/dbraw/zinc/53/68/97/873536897.db2.gz MLZJVSOBGAPQFU-HUUCEWRRSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207757785 873536904 /nfs/dbraw/zinc/53/69/04/873536904.db2.gz MLZJVSOBGAPQFU-HUUCEWRRSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013769 873748792 /nfs/dbraw/zinc/74/87/92/873748792.db2.gz JSFNNSKJHMHWPC-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001227082016 882818754 /nfs/dbraw/zinc/81/87/54/882818754.db2.gz CWNSCUMEIKZAQW-ZACQAIPSSA-N 2 1 323.481 1.690 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208637412 874351253 /nfs/dbraw/zinc/35/12/53/874351253.db2.gz LHGMEWVJWOUARL-HZPDHXFCSA-N 2 1 323.481 1.051 20 30 DDEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208637412 874351267 /nfs/dbraw/zinc/35/12/67/874351267.db2.gz LHGMEWVJWOUARL-HZPDHXFCSA-N 2 1 323.481 1.051 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209276636 874772466 /nfs/dbraw/zinc/77/24/66/874772466.db2.gz AMEZFYBHELTUCR-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209688525 875056174 /nfs/dbraw/zinc/05/61/74/875056174.db2.gz CXCOCYCEQFSMKS-SFHVURJKSA-N 2 1 313.445 1.375 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210634210 875466767 /nfs/dbraw/zinc/46/67/67/875466767.db2.gz LSANDXCXPUHIHX-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)[C@H](OC)C1 ZINC001213559662 875980649 /nfs/dbraw/zinc/98/06/49/875980649.db2.gz PECKWFUOQYWWEQ-NUEKZKHPSA-N 2 1 320.437 1.370 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)[C@H](OC)C1 ZINC001213559662 875980658 /nfs/dbraw/zinc/98/06/58/875980658.db2.gz PECKWFUOQYWWEQ-NUEKZKHPSA-N 2 1 320.437 1.370 20 30 DDEDMP C#CC[N@@H+](CCC[C@@H](C)O)C1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001352935563 877023411 /nfs/dbraw/zinc/02/34/11/877023411.db2.gz QPSJAYXAJQWWPI-IAGOWNOFSA-N 2 1 310.482 1.708 20 30 DDEDMP C#CC[N@H+](CCC[C@@H](C)O)C1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001352935563 877023422 /nfs/dbraw/zinc/02/34/22/877023422.db2.gz QPSJAYXAJQWWPI-IAGOWNOFSA-N 2 1 310.482 1.708 20 30 DDEDMP C#CC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001353560017 877417655 /nfs/dbraw/zinc/41/76/55/877417655.db2.gz ICVDAESGEWRGGF-HNNXBMFYSA-N 2 1 305.397 1.051 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219874965 878559341 /nfs/dbraw/zinc/55/93/41/878559341.db2.gz LLKJGUPUJSMLOG-OAGGEKHMSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001220868783 879332154 /nfs/dbraw/zinc/33/21/54/879332154.db2.gz UINBQSNBLBOSKC-ZNMIVQPWSA-N 2 1 309.454 1.299 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947009 880159514 /nfs/dbraw/zinc/15/95/14/880159514.db2.gz MYHDIQQXTMSYCE-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222022392 880188893 /nfs/dbraw/zinc/18/88/93/880188893.db2.gz GTORERBISLUMBY-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222022392 880188905 /nfs/dbraw/zinc/18/89/05/880188905.db2.gz GTORERBISLUMBY-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046639 880198614 /nfs/dbraw/zinc/19/86/14/880198614.db2.gz NOVVUNLVQBSLLB-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799897 880703706 /nfs/dbraw/zinc/70/37/06/880703706.db2.gz RDADODRGHUVTQJ-OAGGEKHMSA-N 2 1 309.429 1.222 20 30 DDEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001277393266 884015500 /nfs/dbraw/zinc/01/55/00/884015500.db2.gz HZJBTZBWXPRGTO-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001277393266 884015510 /nfs/dbraw/zinc/01/55/10/884015510.db2.gz HZJBTZBWXPRGTO-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001277393266 884015515 /nfs/dbraw/zinc/01/55/15/884015515.db2.gz HZJBTZBWXPRGTO-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001277656053 886314640 /nfs/dbraw/zinc/31/46/40/886314640.db2.gz WFUSFCLDMVWHOT-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001277656291 886316938 /nfs/dbraw/zinc/31/69/38/886316938.db2.gz ZFLGLVGLSKCQAY-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cc1O ZINC001233385908 886969360 /nfs/dbraw/zinc/96/93/60/886969360.db2.gz XWVYWAAVUHOZDY-DLBZAZTESA-N 2 1 314.433 1.474 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1O ZINC001233385908 886969370 /nfs/dbraw/zinc/96/93/70/886969370.db2.gz XWVYWAAVUHOZDY-DLBZAZTESA-N 2 1 314.433 1.474 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001277941221 888600968 /nfs/dbraw/zinc/60/09/68/888600968.db2.gz MUQREODVTCDMKH-GOSISDBHSA-N 2 1 313.445 1.375 20 30 DDEDMP C=CCCCCCC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019808 892340868 /nfs/dbraw/zinc/34/08/68/892340868.db2.gz AMBMMHOEGISLGQ-BZSNNMDCSA-N 2 1 309.498 1.900 20 30 DDEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CC[C@@H](C#N)C3)C[C@H]1C2 ZINC001246876336 892963317 /nfs/dbraw/zinc/96/33/17/892963317.db2.gz ZAJAKCQTWMKVBE-IXYRMGKJSA-N 2 1 303.406 1.009 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366290536 893042395 /nfs/dbraw/zinc/04/23/95/893042395.db2.gz FLLKDAFIHQGGQM-WMLDXEAASA-N 2 1 314.433 1.637 20 30 DDEDMP CCCCCCCC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252137047 895028014 /nfs/dbraw/zinc/02/80/14/895028014.db2.gz WBXOANMQIOWHSG-KRWDZBQOSA-N 2 1 318.502 1.364 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001252551532 895266251 /nfs/dbraw/zinc/26/62/51/895266251.db2.gz VNBBEKZUWVAJBU-MAUKXSAKSA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001252551532 895266261 /nfs/dbraw/zinc/26/62/61/895266261.db2.gz VNBBEKZUWVAJBU-MAUKXSAKSA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@](C)(O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001252552774 895271493 /nfs/dbraw/zinc/27/14/93/895271493.db2.gz LVSAHYJFNKSCQN-KRWDZBQOSA-N 2 1 304.438 1.274 20 30 DDEDMP C=CCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001252614163 895315671 /nfs/dbraw/zinc/31/56/71/895315671.db2.gz GGJUQORSGNHYKJ-SFHVURJKSA-N 2 1 304.434 1.936 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367771891 897734904 /nfs/dbraw/zinc/73/49/04/897734904.db2.gz MLASPHYNKLVVNI-WFASDCNBSA-N 2 1 318.396 1.243 20 30 DDEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001265050852 901488908 /nfs/dbraw/zinc/48/89/08/901488908.db2.gz NQJAGXUEURTWHN-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001265050852 901488915 /nfs/dbraw/zinc/48/89/15/901488915.db2.gz NQJAGXUEURTWHN-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001265342818 901903216 /nfs/dbraw/zinc/90/32/16/901903216.db2.gz BGZQGNRCMQDXFO-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC=C(C)C)C1CC1 ZINC001265358141 901920407 /nfs/dbraw/zinc/92/04/07/901920407.db2.gz DGMZTWHVTLWNFU-IRXDYDNUSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC=C(C)C)C1CC1 ZINC001265358141 901920414 /nfs/dbraw/zinc/92/04/14/901920414.db2.gz DGMZTWHVTLWNFU-IRXDYDNUSA-N 2 1 303.450 1.535 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523201 902092943 /nfs/dbraw/zinc/09/29/43/902092943.db2.gz IQLIUSYMGBCIDR-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265649082 902251729 /nfs/dbraw/zinc/25/17/29/902251729.db2.gz NASBSQSNPKVNCF-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265649082 902251737 /nfs/dbraw/zinc/25/17/37/902251737.db2.gz NASBSQSNPKVNCF-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[NH+]1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001266195631 903088353 /nfs/dbraw/zinc/08/83/53/903088353.db2.gz XITPNLNRBCSGEX-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281457606 904880128 /nfs/dbraw/zinc/88/01/28/904880128.db2.gz QBMYLTIHLLGBOI-HOCLYGCPSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001281941437 905338386 /nfs/dbraw/zinc/33/83/86/905338386.db2.gz HWZKBYUPNVJBBF-INIZCTEOSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001282193587 905607486 /nfs/dbraw/zinc/60/74/86/905607486.db2.gz REFWEWJNDAAPKI-SJORKVTESA-N 2 1 315.461 1.667 20 30 DDEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001282460569 905803124 /nfs/dbraw/zinc/80/31/24/905803124.db2.gz FALLUPAXKCGOQN-INIZCTEOSA-N 2 1 315.461 1.864 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)C)C1 ZINC001282718294 905981022 /nfs/dbraw/zinc/98/10/22/905981022.db2.gz YLZZQONBUAUQJF-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)C)C1 ZINC001282718294 905981039 /nfs/dbraw/zinc/98/10/39/905981039.db2.gz YLZZQONBUAUQJF-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001282944711 906302287 /nfs/dbraw/zinc/30/22/87/906302287.db2.gz AYAKWHNKMIPCMC-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000330291693 529810446 /nfs/dbraw/zinc/81/04/46/529810446.db2.gz GSGGTBNGGFFIIY-PBHICJAKSA-N 2 1 317.437 1.387 20 30 DDEDMP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000330291693 529810448 /nfs/dbraw/zinc/81/04/48/529810448.db2.gz GSGGTBNGGFFIIY-PBHICJAKSA-N 2 1 317.437 1.387 20 30 DDEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437735 356214067 /nfs/dbraw/zinc/21/40/67/356214067.db2.gz DVKMWXRQHJIBGV-HZPDHXFCSA-N 2 1 306.454 1.588 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000594444265 356218169 /nfs/dbraw/zinc/21/81/69/356218169.db2.gz NMKAZSAXBHCYDQ-HZPDHXFCSA-N 2 1 318.396 1.710 20 30 DDEDMP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000598679727 357684399 /nfs/dbraw/zinc/68/43/99/357684399.db2.gz LRKWXSSVAJWQTK-INIZCTEOSA-N 2 1 300.406 1.378 20 30 DDEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000598679727 357684403 /nfs/dbraw/zinc/68/44/03/357684403.db2.gz LRKWXSSVAJWQTK-INIZCTEOSA-N 2 1 300.406 1.378 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845364 359233784 /nfs/dbraw/zinc/23/37/84/359233784.db2.gz ILDCLVBGQRFPFR-UHFFFAOYSA-N 2 1 315.421 1.356 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1cccc(C#N)c1 ZINC000174724581 407982764 /nfs/dbraw/zinc/98/27/64/407982764.db2.gz UTYOUZWKAWALCU-UHFFFAOYSA-N 2 1 316.449 1.506 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000246712918 408323557 /nfs/dbraw/zinc/32/35/57/408323557.db2.gz LGMSPFIIXRQZDG-HYVNUMGLSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000246712918 408323564 /nfs/dbraw/zinc/32/35/64/408323564.db2.gz LGMSPFIIXRQZDG-HYVNUMGLSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000246712918 408323569 /nfs/dbraw/zinc/32/35/69/408323569.db2.gz LGMSPFIIXRQZDG-HYVNUMGLSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000246712918 408323575 /nfs/dbraw/zinc/32/35/75/408323575.db2.gz LGMSPFIIXRQZDG-HYVNUMGLSA-N 2 1 317.433 1.712 20 30 DDEDMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000192869994 408664236 /nfs/dbraw/zinc/66/42/36/408664236.db2.gz IIPDFEXPFCWFOF-UHFFFAOYSA-N 2 1 300.406 1.913 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000303867533 409554617 /nfs/dbraw/zinc/55/46/17/409554617.db2.gz CYHXYDLXJNOETO-DOTOQJQBSA-N 2 1 318.465 1.980 20 30 DDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)CCC#N)CC2)CC1 ZINC000351321612 410059217 /nfs/dbraw/zinc/05/92/17/410059217.db2.gz BNZJMIZOXNULNC-MRXNPFEDSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000330284724 410610879 /nfs/dbraw/zinc/61/08/79/410610879.db2.gz XXDUCRGTYHRSRE-AWEZNQCLSA-N 2 1 305.426 1.528 20 30 DDEDMP CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCn3ccnc3C2)CC1 ZINC000330284724 410610886 /nfs/dbraw/zinc/61/08/86/410610886.db2.gz XXDUCRGTYHRSRE-AWEZNQCLSA-N 2 1 305.426 1.528 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000645266459 422969672 /nfs/dbraw/zinc/96/96/72/422969672.db2.gz UWZYQKZQAHVTAX-INIZCTEOSA-N 2 1 308.470 1.763 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCS[C@H](C(C)C)C1 ZINC000261653286 222252568 /nfs/dbraw/zinc/25/25/68/222252568.db2.gz AFRJOWOUHYEBAB-AWEZNQCLSA-N 2 1 309.483 1.840 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000264326242 222331031 /nfs/dbraw/zinc/33/10/31/222331031.db2.gz YYLXBAHMANPGON-LLVKDONJSA-N 2 1 306.410 1.913 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262013274 222268987 /nfs/dbraw/zinc/26/89/87/222268987.db2.gz XCKPJBUTIWOXAZ-GDBMZVCRSA-N 3 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000262013274 222268990 /nfs/dbraw/zinc/26/89/90/222268990.db2.gz XCKPJBUTIWOXAZ-GDBMZVCRSA-N 2 1 321.513 1.509 20 30 DDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262765956 222292043 /nfs/dbraw/zinc/29/20/43/222292043.db2.gz GCDZZWJEWFMECO-CQSZACIVSA-N 2 1 318.469 1.329 20 30 DDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262765956 222292045 /nfs/dbraw/zinc/29/20/45/222292045.db2.gz GCDZZWJEWFMECO-CQSZACIVSA-N 2 1 318.469 1.329 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264110377 222319299 /nfs/dbraw/zinc/31/92/99/222319299.db2.gz QOXHSMSIPYCRFQ-OAHLLOKOSA-N 2 1 316.449 1.888 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264110377 222319302 /nfs/dbraw/zinc/31/93/02/222319302.db2.gz QOXHSMSIPYCRFQ-OAHLLOKOSA-N 2 1 316.449 1.888 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000378407508 418722254 /nfs/dbraw/zinc/72/22/54/418722254.db2.gz HXYLMCVOFQOYKT-UHFFFAOYSA-N 2 1 306.454 1.745 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC(C)C)CC2)CC1 ZINC000369309131 418732371 /nfs/dbraw/zinc/73/23/71/418732371.db2.gz DWQPRCZYGSZJIF-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000365180249 418842107 /nfs/dbraw/zinc/84/21/07/418842107.db2.gz DJNBEAKSUXPNKJ-INIZCTEOSA-N 2 1 320.481 1.953 20 30 DDEDMP Cn1c[nH+]cc1CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC001120577280 782033236 /nfs/dbraw/zinc/03/32/36/782033236.db2.gz UZIRDTZFIHCQSX-INIZCTEOSA-N 2 1 314.389 1.058 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000491516848 421198776 /nfs/dbraw/zinc/19/87/76/421198776.db2.gz VSADODYAXUWFRR-MRXNPFEDSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000491689206 421202044 /nfs/dbraw/zinc/20/20/44/421202044.db2.gz HHPMFBKWOYQPPA-HZPDHXFCSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000491689206 421202046 /nfs/dbraw/zinc/20/20/46/421202046.db2.gz HHPMFBKWOYQPPA-HZPDHXFCSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000491689206 421202047 /nfs/dbraw/zinc/20/20/47/421202047.db2.gz HHPMFBKWOYQPPA-HZPDHXFCSA-N 2 1 308.470 1.361 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC#N)C3CC3)CC2)CC1 ZINC000515355359 421495278 /nfs/dbraw/zinc/49/52/78/421495278.db2.gz SXEWMMBNFQCBAA-UHFFFAOYSA-N 2 1 318.465 1.697 20 30 DDEDMP C=CC[NH+]1CCC(NC[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644549062 423700068 /nfs/dbraw/zinc/70/00/68/423700068.db2.gz LDPLEZFZTYRFFX-LJQANCHMSA-N 2 1 317.477 1.719 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644675459 423760669 /nfs/dbraw/zinc/76/06/69/423760669.db2.gz UFYREOSGKNPAHC-KSZLIROESA-N 2 1 304.434 1.660 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644675459 423760678 /nfs/dbraw/zinc/76/06/78/423760678.db2.gz UFYREOSGKNPAHC-KSZLIROESA-N 2 1 304.434 1.660 20 30 DDEDMP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)nn1 ZINC000655940805 424694421 /nfs/dbraw/zinc/69/44/21/424694421.db2.gz YFJAYHVVBWTPRI-UXLLHSPISA-N 2 1 319.453 1.573 20 30 DDEDMP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)nn1 ZINC000655940805 424694423 /nfs/dbraw/zinc/69/44/23/424694423.db2.gz YFJAYHVVBWTPRI-UXLLHSPISA-N 2 1 319.453 1.573 20 30 DDEDMP C=CC[C@@]1(C(=O)NCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662692355 424737102 /nfs/dbraw/zinc/73/71/02/424737102.db2.gz CVTMUCMYALRVMR-SFHVURJKSA-N 2 1 301.434 1.933 20 30 DDEDMP C[C@@H](O)[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000515526971 484263366 /nfs/dbraw/zinc/26/33/66/484263366.db2.gz XIPRNWWWQJDVHS-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H](O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000515526971 484263373 /nfs/dbraw/zinc/26/33/73/484263373.db2.gz XIPRNWWWQJDVHS-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H](O)[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000515526971 484263383 /nfs/dbraw/zinc/26/33/83/484263383.db2.gz XIPRNWWWQJDVHS-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000350029122 526425006 /nfs/dbraw/zinc/42/50/06/526425006.db2.gz ZCIQJMHDWFTUFK-INIZCTEOSA-N 2 1 306.454 1.515 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000491706919 526808798 /nfs/dbraw/zinc/80/87/98/526808798.db2.gz FJQPSHLXUMULFT-INIZCTEOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000491674719 526815926 /nfs/dbraw/zinc/81/59/26/526815926.db2.gz LBGSPIJGALRTKG-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000491674719 526815929 /nfs/dbraw/zinc/81/59/29/526815929.db2.gz LBGSPIJGALRTKG-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000491674719 526815936 /nfs/dbraw/zinc/81/59/36/526815936.db2.gz LBGSPIJGALRTKG-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491167134 526985327 /nfs/dbraw/zinc/98/53/27/526985327.db2.gz WHHHFMYJCOUBIV-WMZOPIPTSA-N 2 1 313.445 1.626 20 30 DDEDMP CC[NH+](CC#CC[N@H+](CC)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000341884995 527878588 /nfs/dbraw/zinc/87/85/88/527878588.db2.gz RXGJHZDWWITWIV-QZTJIDSGSA-N 2 1 308.466 1.992 20 30 DDEDMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424131768 528336334 /nfs/dbraw/zinc/33/63/34/528336334.db2.gz JSIHDWDJYCGGLC-MRXNPFEDSA-N 2 1 308.470 1.978 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC000980188654 696704555 /nfs/dbraw/zinc/70/45/55/696704555.db2.gz NMPXTWCPRXSAOM-RCCFBDPRSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC)C[C@@H]3C2)CC1 ZINC000980252366 696719499 /nfs/dbraw/zinc/71/94/99/696719499.db2.gz IBZSWUZLEBHFIF-OKZBNKHCSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956662 695766897 /nfs/dbraw/zinc/76/68/97/695766897.db2.gz QXOIVXQDRJKOBP-ZBFHGGJFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956662 695766899 /nfs/dbraw/zinc/76/68/99/695766899.db2.gz QXOIVXQDRJKOBP-ZBFHGGJFSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975109929 695796520 /nfs/dbraw/zinc/79/65/20/695796520.db2.gz NBQOUJLZXWRBOO-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975109929 695796521 /nfs/dbraw/zinc/79/65/21/695796521.db2.gz NBQOUJLZXWRBOO-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975109929 695796522 /nfs/dbraw/zinc/79/65/22/695796522.db2.gz NBQOUJLZXWRBOO-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975109929 695796524 /nfs/dbraw/zinc/79/65/24/695796524.db2.gz NBQOUJLZXWRBOO-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000978891842 696472443 /nfs/dbraw/zinc/47/24/43/696472443.db2.gz NRQLEOVEBUFATP-OSYLJGHBSA-N 2 1 323.400 1.361 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000978891842 696472444 /nfs/dbraw/zinc/47/24/44/696472444.db2.gz NRQLEOVEBUFATP-OSYLJGHBSA-N 2 1 323.400 1.361 20 30 DDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000104174695 696619338 /nfs/dbraw/zinc/61/93/38/696619338.db2.gz WYUMGAYWENJTDO-HZPDHXFCSA-N 2 1 309.502 1.307 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981765043 696907421 /nfs/dbraw/zinc/90/74/21/696907421.db2.gz NQPOIWBJRQPDMK-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981765043 696907425 /nfs/dbraw/zinc/90/74/25/696907425.db2.gz NQPOIWBJRQPDMK-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981765043 696907427 /nfs/dbraw/zinc/90/74/27/696907427.db2.gz NQPOIWBJRQPDMK-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841756 696939339 /nfs/dbraw/zinc/93/93/39/696939339.db2.gz JVWHLRARSAGPIY-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981841756 696939341 /nfs/dbraw/zinc/93/93/41/696939341.db2.gz JVWHLRARSAGPIY-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841756 696939344 /nfs/dbraw/zinc/93/93/44/696939344.db2.gz JVWHLRARSAGPIY-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981841756 696939346 /nfs/dbraw/zinc/93/93/46/696939346.db2.gz JVWHLRARSAGPIY-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848049 696941492 /nfs/dbraw/zinc/94/14/92/696941492.db2.gz HUDDABDESTZEMA-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848049 696941494 /nfs/dbraw/zinc/94/14/94/696941494.db2.gz HUDDABDESTZEMA-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848049 696941496 /nfs/dbraw/zinc/94/14/96/696941496.db2.gz HUDDABDESTZEMA-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000982011427 697001818 /nfs/dbraw/zinc/00/18/18/697001818.db2.gz CGQFLVUKIBOYCI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011427 697001822 /nfs/dbraw/zinc/00/18/22/697001822.db2.gz CGQFLVUKIBOYCI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011427 697001825 /nfs/dbraw/zinc/00/18/25/697001825.db2.gz CGQFLVUKIBOYCI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197792 697031621 /nfs/dbraw/zinc/03/16/21/697031621.db2.gz PCZWPWVJXLHWHN-INIZCTEOSA-N 2 1 316.449 1.954 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197792 697031623 /nfs/dbraw/zinc/03/16/23/697031623.db2.gz PCZWPWVJXLHWHN-INIZCTEOSA-N 2 1 316.449 1.954 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981430723 697095428 /nfs/dbraw/zinc/09/54/28/697095428.db2.gz HIXQMNWKSOFDIG-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982554633 697149806 /nfs/dbraw/zinc/14/98/06/697149806.db2.gz ZYXNMBHHAVFRQZ-PBWTXFEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982554633 697149808 /nfs/dbraw/zinc/14/98/08/697149808.db2.gz ZYXNMBHHAVFRQZ-PBWTXFEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982554633 697149809 /nfs/dbraw/zinc/14/98/09/697149809.db2.gz ZYXNMBHHAVFRQZ-PBWTXFEYSA-N 2 1 319.493 1.931 20 30 DDEDMP COc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C#N ZINC000174354454 697388083 /nfs/dbraw/zinc/38/80/83/697388083.db2.gz VVOZVVYMUWHCJM-UHFFFAOYSA-N 2 1 316.449 1.684 20 30 DDEDMP CCOc1ncccc1CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303877526 698608192 /nfs/dbraw/zinc/60/81/92/698608192.db2.gz FLCWULWLEGENGI-AWEZNQCLSA-N 2 1 305.426 1.369 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+](C)C1CCCCC1 ZINC000303906779 698611242 /nfs/dbraw/zinc/61/12/42/698611242.db2.gz WIONLLSYIHPRER-INIZCTEOSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303906779 698611244 /nfs/dbraw/zinc/61/12/44/698611244.db2.gz WIONLLSYIHPRER-INIZCTEOSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000303906779 698611247 /nfs/dbraw/zinc/61/12/47/698611247.db2.gz WIONLLSYIHPRER-INIZCTEOSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1C(C)C ZINC000304751975 698624510 /nfs/dbraw/zinc/62/45/10/698624510.db2.gz JTWFVESTSALHLV-BZUAXINKSA-N 2 1 310.486 1.826 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000305025358 698627522 /nfs/dbraw/zinc/62/75/22/698627522.db2.gz PFRSGNKVKRGZKX-HOTGVXAUSA-N 3 1 309.502 1.353 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305025358 698627523 /nfs/dbraw/zinc/62/75/23/698627523.db2.gz PFRSGNKVKRGZKX-HOTGVXAUSA-N 3 1 309.502 1.353 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000305025358 698627525 /nfs/dbraw/zinc/62/75/25/698627525.db2.gz PFRSGNKVKRGZKX-HOTGVXAUSA-N 3 1 309.502 1.353 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989738373 698746451 /nfs/dbraw/zinc/74/64/51/698746451.db2.gz ABTBMMBRKYRWGC-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991857744 699425078 /nfs/dbraw/zinc/42/50/78/699425078.db2.gz FBEJDDVHDZWJTJ-SJLPKXTDSA-N 2 1 308.385 1.694 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000730277843 699506029 /nfs/dbraw/zinc/50/60/29/699506029.db2.gz DDADJUPQACOBAL-XSLAGTTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000730277843 699506030 /nfs/dbraw/zinc/50/60/30/699506030.db2.gz DDADJUPQACOBAL-XSLAGTTESA-N 2 1 317.477 1.948 20 30 DDEDMP CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000867960143 701855061 /nfs/dbraw/zinc/85/50/61/701855061.db2.gz HMOQMLOODYDFGT-SJLPKXTDSA-N 2 1 324.428 1.440 20 30 DDEDMP CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000867960143 701855065 /nfs/dbraw/zinc/85/50/65/701855065.db2.gz HMOQMLOODYDFGT-SJLPKXTDSA-N 2 1 324.428 1.440 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000813824755 702421267 /nfs/dbraw/zinc/42/12/67/702421267.db2.gz QVNPTSOPTZLUIC-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP c1ccc(C[N@@H+]2C[C@@H]3CCCC(N=NC4=[NH+]CCN4)[C@H]3C2)cc1 ZINC000841662026 702523707 /nfs/dbraw/zinc/52/37/07/702523707.db2.gz VKIIUNLBKHQVIU-HOTGVXAUSA-N 2 1 311.433 1.823 20 30 DDEDMP c1ccc(C[N@H+]2C[C@@H]3CCCC(N=NC4=[NH+]CCN4)[C@H]3C2)cc1 ZINC000841662026 702523711 /nfs/dbraw/zinc/52/37/11/702523711.db2.gz VKIIUNLBKHQVIU-HOTGVXAUSA-N 2 1 311.433 1.823 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(C#N)cs2)C1 ZINC000842039600 702662141 /nfs/dbraw/zinc/66/21/41/702662141.db2.gz PTHHGEPWSCYUCM-LLVKDONJSA-N 2 1 309.395 1.122 20 30 DDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(C#N)cs2)C1 ZINC000842039600 702662144 /nfs/dbraw/zinc/66/21/44/702662144.db2.gz PTHHGEPWSCYUCM-LLVKDONJSA-N 2 1 309.395 1.122 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000843072626 702813709 /nfs/dbraw/zinc/81/37/09/702813709.db2.gz JMSRBTSJNHJQDK-ROUUACIJSA-N 2 1 317.433 1.418 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)C(C)C ZINC000848991493 703607852 /nfs/dbraw/zinc/60/78/52/703607852.db2.gz JMDWFWZFISBSMP-CVEARBPZSA-N 2 1 308.470 1.930 20 30 DDEDMP C#CCOCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000851765838 703848748 /nfs/dbraw/zinc/84/87/48/703848748.db2.gz ZGWANADWUPTGHK-UHFFFAOYSA-N 2 1 315.461 1.386 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC=C)CC2)C1 ZINC000884162114 708166735 /nfs/dbraw/zinc/16/67/35/708166735.db2.gz WKHPHXJYNYJYAF-INIZCTEOSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC=C)CC2)C1 ZINC000884162114 708166738 /nfs/dbraw/zinc/16/67/38/708166738.db2.gz WKHPHXJYNYJYAF-INIZCTEOSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000884215807 708194568 /nfs/dbraw/zinc/19/45/68/708194568.db2.gz BGWPEUDQJGLMOV-DLBZAZTESA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000884215807 708194570 /nfs/dbraw/zinc/19/45/70/708194570.db2.gz BGWPEUDQJGLMOV-DLBZAZTESA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000884215807 708194572 /nfs/dbraw/zinc/19/45/72/708194572.db2.gz BGWPEUDQJGLMOV-DLBZAZTESA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000884215807 708194574 /nfs/dbraw/zinc/19/45/74/708194574.db2.gz BGWPEUDQJGLMOV-DLBZAZTESA-N 2 1 320.481 1.361 20 30 DDEDMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](C)CC1 ZINC000886573627 708779193 /nfs/dbraw/zinc/77/91/93/708779193.db2.gz PMJVDZCDBPWEIF-UHFFFAOYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1 ZINC000886661291 708808599 /nfs/dbraw/zinc/80/85/99/708808599.db2.gz QWXKAAQGZFRDNP-CEXWTWQISA-N 2 1 321.509 1.811 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000928658137 713255058 /nfs/dbraw/zinc/25/50/58/713255058.db2.gz MEQZHPULWJKTBP-GOSISDBHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905273258 711988555 /nfs/dbraw/zinc/98/85/55/711988555.db2.gz KXNGTAHTPDJIMO-MRXNPFEDSA-N 2 1 315.417 1.452 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905273258 711988556 /nfs/dbraw/zinc/98/85/56/711988556.db2.gz KXNGTAHTPDJIMO-MRXNPFEDSA-N 2 1 315.417 1.452 20 30 DDEDMP C[NH+]1CCN(N=Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000914692914 713399891 /nfs/dbraw/zinc/39/98/91/713399891.db2.gz AWTYDWQXBOGYBV-UHFFFAOYSA-N 2 1 316.449 1.743 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000957516787 715936963 /nfs/dbraw/zinc/93/69/63/715936963.db2.gz CQCCBZNXXSTHLI-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736705 716936697 /nfs/dbraw/zinc/93/66/97/716936697.db2.gz IRYMVVRMZLIJTE-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736705 716936701 /nfs/dbraw/zinc/93/67/01/716936701.db2.gz IRYMVVRMZLIJTE-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736705 716936704 /nfs/dbraw/zinc/93/67/04/716936704.db2.gz IRYMVVRMZLIJTE-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC000961618993 717032974 /nfs/dbraw/zinc/03/29/74/717032974.db2.gz YKXJEGPLPHCRKI-FICVDOATSA-N 2 1 301.390 1.025 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080094 717097570 /nfs/dbraw/zinc/09/75/70/717097570.db2.gz TXWCOLZPHWUZFH-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC000962553125 717508582 /nfs/dbraw/zinc/50/85/82/717508582.db2.gz KVLFFKGJRKPNAV-YRXWBPOGSA-N 2 1 323.440 1.036 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC000962553125 717508585 /nfs/dbraw/zinc/50/85/85/717508585.db2.gz KVLFFKGJRKPNAV-YRXWBPOGSA-N 2 1 323.440 1.036 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC000962553125 717508587 /nfs/dbraw/zinc/50/85/87/717508587.db2.gz KVLFFKGJRKPNAV-YRXWBPOGSA-N 2 1 323.440 1.036 20 30 DDEDMP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000962558699 717513495 /nfs/dbraw/zinc/51/34/95/717513495.db2.gz WOFAJUSNEMPSKM-RUYXUALKSA-N 2 1 323.440 1.180 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000963180778 717682216 /nfs/dbraw/zinc/68/22/16/717682216.db2.gz YEQPNBVHVLTZKE-GPANFISMSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000963180778 717682218 /nfs/dbraw/zinc/68/22/18/717682218.db2.gz YEQPNBVHVLTZKE-GPANFISMSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963391959 717772891 /nfs/dbraw/zinc/77/28/91/717772891.db2.gz WDGLSJHLNMVOKE-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942823155 717878862 /nfs/dbraw/zinc/87/88/62/717878862.db2.gz RUDLVPKSDYLFFC-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942823155 717878864 /nfs/dbraw/zinc/87/88/64/717878864.db2.gz RUDLVPKSDYLFFC-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942823155 717878866 /nfs/dbraw/zinc/87/88/66/717878866.db2.gz RUDLVPKSDYLFFC-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@@H]2C)CC1 ZINC000945176979 718414739 /nfs/dbraw/zinc/41/47/39/718414739.db2.gz AFQDDUKCXMZGDW-DOTOQJQBSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@@H](C)C1 ZINC000945178774 718415277 /nfs/dbraw/zinc/41/52/77/718415277.db2.gz HBPYWKNKADMDNN-WMZOPIPTSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623854 718855991 /nfs/dbraw/zinc/85/59/91/718855991.db2.gz RBGCKUMIMCOHBJ-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892456 718937475 /nfs/dbraw/zinc/93/74/75/718937475.db2.gz CGNHYLDHBYAQRS-IXDOHACOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892456 718937476 /nfs/dbraw/zinc/93/74/76/718937476.db2.gz CGNHYLDHBYAQRS-IXDOHACOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892456 718937478 /nfs/dbraw/zinc/93/74/78/718937478.db2.gz CGNHYLDHBYAQRS-IXDOHACOSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946894799 718938193 /nfs/dbraw/zinc/93/81/93/718938193.db2.gz ICQUAQQNFPAHQM-CALCHBBNSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473382 719176934 /nfs/dbraw/zinc/17/69/34/719176934.db2.gz LHJBJFJTUNZZIX-KGLIPLIRSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC000947473382 719176936 /nfs/dbraw/zinc/17/69/36/719176936.db2.gz LHJBJFJTUNZZIX-KGLIPLIRSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947492663 719186449 /nfs/dbraw/zinc/18/64/49/719186449.db2.gz LONAFZMXTIREPB-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552719 719209439 /nfs/dbraw/zinc/20/94/39/719209439.db2.gz XNGRSHIGBCCGKC-GDBMZVCRSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947776627 719267230 /nfs/dbraw/zinc/26/72/30/719267230.db2.gz XJNPVADHHZDRSB-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706309 719659024 /nfs/dbraw/zinc/65/90/24/719659024.db2.gz ZSHVGRYULFSKMV-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706309 719659025 /nfs/dbraw/zinc/65/90/25/719659025.db2.gz ZSHVGRYULFSKMV-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706309 719659026 /nfs/dbraw/zinc/65/90/26/719659026.db2.gz ZSHVGRYULFSKMV-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706309 719659028 /nfs/dbraw/zinc/65/90/28/719659028.db2.gz ZSHVGRYULFSKMV-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706310 719659356 /nfs/dbraw/zinc/65/93/56/719659356.db2.gz ZSHVGRYULFSKMV-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706310 719659359 /nfs/dbraw/zinc/65/93/59/719659359.db2.gz ZSHVGRYULFSKMV-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706310 719659362 /nfs/dbraw/zinc/65/93/62/719659362.db2.gz ZSHVGRYULFSKMV-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706310 719659366 /nfs/dbraw/zinc/65/93/66/719659366.db2.gz ZSHVGRYULFSKMV-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949226541 719966495 /nfs/dbraw/zinc/96/64/95/719966495.db2.gz KBMQQIRRDAMWMY-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000950089982 720485705 /nfs/dbraw/zinc/48/57/05/720485705.db2.gz RUSONPSZFDBVOF-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000950089982 720485706 /nfs/dbraw/zinc/48/57/06/720485706.db2.gz RUSONPSZFDBVOF-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969833372 720525609 /nfs/dbraw/zinc/52/56/09/720525609.db2.gz MNVYTERPRNBRLT-HOTGVXAUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969836926 720526948 /nfs/dbraw/zinc/52/69/48/720526948.db2.gz PECHXMQQIFQWGB-HIFRSBDPSA-N 2 1 302.422 1.773 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528434 720798232 /nfs/dbraw/zinc/79/82/32/720798232.db2.gz FPHRKRIXTIZSFH-NVXWUHKLSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970752346 720922388 /nfs/dbraw/zinc/92/23/88/720922388.db2.gz SBLXKUZBSYBUOO-CYBMUJFWSA-N 2 1 302.422 1.774 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678408 735391961 /nfs/dbraw/zinc/39/19/61/735391961.db2.gz VNWWJNPWOFFIBA-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498682 736365534 /nfs/dbraw/zinc/36/55/34/736365534.db2.gz LOAHRFARQYDZDE-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498682 736365538 /nfs/dbraw/zinc/36/55/38/736365538.db2.gz LOAHRFARQYDZDE-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498682 736365541 /nfs/dbraw/zinc/36/55/41/736365541.db2.gz LOAHRFARQYDZDE-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498682 736365545 /nfs/dbraw/zinc/36/55/45/736365545.db2.gz LOAHRFARQYDZDE-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605015 733361363 /nfs/dbraw/zinc/36/13/63/733361363.db2.gz ITXAVQQRSIRMRR-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605015 733361368 /nfs/dbraw/zinc/36/13/68/733361368.db2.gz ITXAVQQRSIRMRR-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605015 733361373 /nfs/dbraw/zinc/36/13/73/733361373.db2.gz ITXAVQQRSIRMRR-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104312927 733451814 /nfs/dbraw/zinc/45/18/14/733451814.db2.gz YNHXIWWXWCSNEI-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718413 733481911 /nfs/dbraw/zinc/48/19/11/733481911.db2.gz XGZLMOJJPVVHCZ-HOTGVXAUSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039375899 733637325 /nfs/dbraw/zinc/63/73/25/733637325.db2.gz CHCPAZFIOADBOI-IXDOHACOSA-N 2 1 301.434 1.027 20 30 DDEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410475 735215845 /nfs/dbraw/zinc/21/58/45/735215845.db2.gz SRCOWKUSYYIEOU-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410475 735215850 /nfs/dbraw/zinc/21/58/50/735215850.db2.gz SRCOWKUSYYIEOU-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410475 735215853 /nfs/dbraw/zinc/21/58/53/735215853.db2.gz SRCOWKUSYYIEOU-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413353 735218737 /nfs/dbraw/zinc/21/87/37/735218737.db2.gz DAQDXIRVQGCZAK-HOTGVXAUSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413353 735218743 /nfs/dbraw/zinc/21/87/43/735218743.db2.gz DAQDXIRVQGCZAK-HOTGVXAUSA-N 2 1 314.433 1.612 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024478124 735855268 /nfs/dbraw/zinc/85/52/68/735855268.db2.gz RLOREDCWKWDCQM-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024478124 735855270 /nfs/dbraw/zinc/85/52/70/735855270.db2.gz RLOREDCWKWDCQM-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001024478124 735855274 /nfs/dbraw/zinc/85/52/74/735855274.db2.gz RLOREDCWKWDCQM-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024505686 735883836 /nfs/dbraw/zinc/88/38/36/735883836.db2.gz GHVULFQFFSECSZ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024505686 735883844 /nfs/dbraw/zinc/88/38/44/735883844.db2.gz GHVULFQFFSECSZ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024505686 735883850 /nfs/dbraw/zinc/88/38/50/735883850.db2.gz GHVULFQFFSECSZ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024505686 735883860 /nfs/dbraw/zinc/88/38/60/735883860.db2.gz GHVULFQFFSECSZ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530288 735902990 /nfs/dbraw/zinc/90/29/90/735902990.db2.gz DKJJHABGKQSEED-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCF)CC1 ZINC001024813343 736108339 /nfs/dbraw/zinc/10/83/39/736108339.db2.gz ZTCKKWNPOPERNL-KRWDZBQOSA-N 2 1 323.456 1.662 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001019771403 736918641 /nfs/dbraw/zinc/91/86/41/736918641.db2.gz LVEKKIIQFCDBPU-RYUDHWBXSA-N 2 1 316.243 1.037 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346549 737085530 /nfs/dbraw/zinc/08/55/30/737085530.db2.gz RLUXVNMVVOEJOR-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346549 737085533 /nfs/dbraw/zinc/08/55/33/737085533.db2.gz RLUXVNMVVOEJOR-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346549 737085536 /nfs/dbraw/zinc/08/55/36/737085536.db2.gz RLUXVNMVVOEJOR-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346549 737085540 /nfs/dbraw/zinc/08/55/40/737085540.db2.gz RLUXVNMVVOEJOR-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038696648 738099167 /nfs/dbraw/zinc/09/91/67/738099167.db2.gz AEKPRVCGXWEDHU-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001038696648 738099173 /nfs/dbraw/zinc/09/91/73/738099173.db2.gz AEKPRVCGXWEDHU-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001027414665 738274781 /nfs/dbraw/zinc/27/47/81/738274781.db2.gz SUCJARVWYXMFSL-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041412067 739201836 /nfs/dbraw/zinc/20/18/36/739201836.db2.gz FLIMPXPFKHVFJW-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041412067 739201839 /nfs/dbraw/zinc/20/18/39/739201839.db2.gz FLIMPXPFKHVFJW-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041412067 739201843 /nfs/dbraw/zinc/20/18/43/739201843.db2.gz FLIMPXPFKHVFJW-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037925999 751566848 /nfs/dbraw/zinc/56/68/48/751566848.db2.gz LIBMZDGTQJUCIA-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746177 740730886 /nfs/dbraw/zinc/73/08/86/740730886.db2.gz KVPIFBVCIZYXGW-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746177 740730889 /nfs/dbraw/zinc/73/08/89/740730889.db2.gz KVPIFBVCIZYXGW-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993641 740933983 /nfs/dbraw/zinc/93/39/83/740933983.db2.gz WQBDTIVBAYBCLG-IKGGRYGDSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026007 740957072 /nfs/dbraw/zinc/95/70/72/740957072.db2.gz NPWGAVOHYFVJKN-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C1 ZINC001088202110 741104914 /nfs/dbraw/zinc/10/49/14/741104914.db2.gz LERWUICKDXVULX-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202110 741104916 /nfs/dbraw/zinc/10/49/16/741104916.db2.gz LERWUICKDXVULX-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088202110 741104921 /nfs/dbraw/zinc/10/49/21/741104921.db2.gz LERWUICKDXVULX-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001088399691 741462631 /nfs/dbraw/zinc/46/26/31/741462631.db2.gz QZOONIJFVZAHGN-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883029 741658163 /nfs/dbraw/zinc/65/81/63/741658163.db2.gz SIAFHHNJUNNILT-HRCADAONSA-N 2 1 314.433 1.869 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883029 741658166 /nfs/dbraw/zinc/65/81/66/741658166.db2.gz SIAFHHNJUNNILT-HRCADAONSA-N 2 1 314.433 1.869 20 30 DDEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001032628597 751725185 /nfs/dbraw/zinc/72/51/85/751725185.db2.gz IRCHNUGYIQYQAX-PVAVHDDUSA-N 2 1 312.417 1.062 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244719 742623996 /nfs/dbraw/zinc/62/39/96/742623996.db2.gz WLCLWXHKVPTUTM-DAYGRLMNSA-N 2 1 323.456 1.918 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244719 742623998 /nfs/dbraw/zinc/62/39/98/742623998.db2.gz WLCLWXHKVPTUTM-DAYGRLMNSA-N 2 1 323.456 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]32)CC1 ZINC001076604518 742819370 /nfs/dbraw/zinc/81/93/70/742819370.db2.gz KASBWHQBCGUWNI-ZWKOTPCHSA-N 2 1 315.461 1.274 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001102783167 743465139 /nfs/dbraw/zinc/46/51/39/743465139.db2.gz XQEIRZNKFVRLBS-YUELXQCFSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001102783167 743465147 /nfs/dbraw/zinc/46/51/47/743465147.db2.gz XQEIRZNKFVRLBS-YUELXQCFSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001102783167 743465154 /nfs/dbraw/zinc/46/51/54/743465154.db2.gz XQEIRZNKFVRLBS-YUELXQCFSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832871 743481996 /nfs/dbraw/zinc/48/19/96/743481996.db2.gz MTSJKLPBFVBYBG-OAHLLOKOSA-N 2 1 311.857 1.661 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001183249460 743809271 /nfs/dbraw/zinc/80/92/71/743809271.db2.gz JOKRMKBXBIVYGK-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185199173 744178495 /nfs/dbraw/zinc/17/84/95/744178495.db2.gz INWDSJBEMJFZGY-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088857472 744232619 /nfs/dbraw/zinc/23/26/19/744232619.db2.gz QBDUNDNWXHOPHC-XPKDYRNWSA-N 2 1 302.422 1.519 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088857472 744232620 /nfs/dbraw/zinc/23/26/20/744232620.db2.gz QBDUNDNWXHOPHC-XPKDYRNWSA-N 2 1 302.422 1.519 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H](C)F)[C@@H]2C)CC1 ZINC001089059644 744479818 /nfs/dbraw/zinc/47/98/18/744479818.db2.gz VCYHIFFKTAILLP-UXLLHSPISA-N 2 1 323.456 1.659 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117283 744821789 /nfs/dbraw/zinc/82/17/89/744821789.db2.gz GUOZWQYEAKYCJK-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117283 744821791 /nfs/dbraw/zinc/82/17/91/744821791.db2.gz GUOZWQYEAKYCJK-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117283 744821792 /nfs/dbraw/zinc/82/17/92/744821792.db2.gz GUOZWQYEAKYCJK-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(Cl)CN1CC[C@@]2(NC(=O)CN3CCCC3)CCC[C@@H]12 ZINC000992488248 744913897 /nfs/dbraw/zinc/91/38/97/744913897.db2.gz NEOQLASQRBJWAP-ZBFHGGJFSA-N 2 1 311.857 1.948 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3ccnc3C)CCC[C@H]12 ZINC000992500264 744921684 /nfs/dbraw/zinc/92/16/84/744921684.db2.gz JYXXGOUUYGPCKL-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992500264 744921686 /nfs/dbraw/zinc/92/16/86/744921686.db2.gz JYXXGOUUYGPCKL-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992500264 744921688 /nfs/dbraw/zinc/92/16/88/744921688.db2.gz JYXXGOUUYGPCKL-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221921 745144212 /nfs/dbraw/zinc/14/42/12/745144212.db2.gz SYKHWJPJNLQONR-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249853 745463970 /nfs/dbraw/zinc/46/39/70/745463970.db2.gz SSQPSAAZMUBMQU-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357697 745625744 /nfs/dbraw/zinc/62/57/44/745625744.db2.gz KDGMAWAFPKIPFR-ZACQAIPSSA-N 2 1 307.482 1.977 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191921338 745645454 /nfs/dbraw/zinc/64/54/54/745645454.db2.gz ALYUTGSIKMUCRL-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106435063 745698530 /nfs/dbraw/zinc/69/85/30/745698530.db2.gz HOYJYSBMXBMVIP-HUUCEWRRSA-N 2 1 316.449 1.632 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192142032 745709403 /nfs/dbraw/zinc/70/94/03/745709403.db2.gz GNYUSYVYTOWINO-INIZCTEOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001192342430 745758791 /nfs/dbraw/zinc/75/87/91/745758791.db2.gz DYLSQMHNCPBXED-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342430 745758794 /nfs/dbraw/zinc/75/87/94/745758794.db2.gz DYLSQMHNCPBXED-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192342430 745758799 /nfs/dbraw/zinc/75/87/99/745758799.db2.gz DYLSQMHNCPBXED-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607033 745782281 /nfs/dbraw/zinc/78/22/81/745782281.db2.gz HDSBLBWQWDHMQB-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607033 745782284 /nfs/dbraw/zinc/78/22/84/745782284.db2.gz HDSBLBWQWDHMQB-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607033 745782288 /nfs/dbraw/zinc/78/22/88/745782288.db2.gz HDSBLBWQWDHMQB-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607033 745782291 /nfs/dbraw/zinc/78/22/91/745782291.db2.gz HDSBLBWQWDHMQB-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192406840 745787199 /nfs/dbraw/zinc/78/71/99/745787199.db2.gz NMXYLZGPTRDFBN-GOSISDBHSA-N 2 1 313.445 1.327 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406840 745787203 /nfs/dbraw/zinc/78/72/03/745787203.db2.gz NMXYLZGPTRDFBN-GOSISDBHSA-N 2 1 313.445 1.327 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406840 745787207 /nfs/dbraw/zinc/78/72/07/745787207.db2.gz NMXYLZGPTRDFBN-GOSISDBHSA-N 2 1 313.445 1.327 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570859 745805272 /nfs/dbraw/zinc/80/52/72/745805272.db2.gz BXBVGVSHVPOQBB-FGTMMUONSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356518 745808445 /nfs/dbraw/zinc/80/84/45/745808445.db2.gz FVXIFHGHYJGKNA-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192845837 745914837 /nfs/dbraw/zinc/91/48/37/745914837.db2.gz JQBYBRJEVLIAOA-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192845837 745914840 /nfs/dbraw/zinc/91/48/40/745914840.db2.gz JQBYBRJEVLIAOA-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001194266644 746326547 /nfs/dbraw/zinc/32/65/47/746326547.db2.gz XNTSFSIZXJAXSV-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266644 746326552 /nfs/dbraw/zinc/32/65/52/746326552.db2.gz XNTSFSIZXJAXSV-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001194266644 746326558 /nfs/dbraw/zinc/32/65/58/746326558.db2.gz XNTSFSIZXJAXSV-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001007382399 752119174 /nfs/dbraw/zinc/11/91/74/752119174.db2.gz MOBOYYJSSPDLAN-HNNXBMFYSA-N 2 1 314.433 1.366 20 30 DDEDMP C#CCN1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641398 746914658 /nfs/dbraw/zinc/91/46/58/746914658.db2.gz DZTZHHAWZUSUOL-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC001196641398 746914666 /nfs/dbraw/zinc/91/46/66/746914666.db2.gz DZTZHHAWZUSUOL-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001196641398 746914674 /nfs/dbraw/zinc/91/46/74/746914674.db2.gz DZTZHHAWZUSUOL-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641398 746914676 /nfs/dbraw/zinc/91/46/76/746914676.db2.gz DZTZHHAWZUSUOL-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC001196641398 746914683 /nfs/dbraw/zinc/91/46/83/746914683.db2.gz DZTZHHAWZUSUOL-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477081 747036448 /nfs/dbraw/zinc/03/64/48/747036448.db2.gz LCAZBKRYDIAUDF-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477081 747036457 /nfs/dbraw/zinc/03/64/57/747036457.db2.gz LCAZBKRYDIAUDF-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477081 747036465 /nfs/dbraw/zinc/03/64/65/747036465.db2.gz LCAZBKRYDIAUDF-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001036092293 752153105 /nfs/dbraw/zinc/15/31/05/752153105.db2.gz COTSUNDGPYEVHC-HIFRSBDPSA-N 2 1 320.437 1.753 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089558242 747216776 /nfs/dbraw/zinc/21/67/76/747216776.db2.gz GCBIJCFFPRLLEE-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089558242 747216780 /nfs/dbraw/zinc/21/67/80/747216780.db2.gz GCBIJCFFPRLLEE-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089558242 747216784 /nfs/dbraw/zinc/21/67/84/747216784.db2.gz GCBIJCFFPRLLEE-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641511 747534718 /nfs/dbraw/zinc/53/47/18/747534718.db2.gz NVUIOGSSDROAOI-IAGOWNOFSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730209 747585226 /nfs/dbraw/zinc/58/52/26/747585226.db2.gz HDLZQIAFZOYBHK-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000998803638 752238536 /nfs/dbraw/zinc/23/85/36/752238536.db2.gz BANROCWGVDCJNC-SEEARECTSA-N 2 1 315.421 1.002 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000998803638 752238545 /nfs/dbraw/zinc/23/85/45/752238545.db2.gz BANROCWGVDCJNC-SEEARECTSA-N 2 1 315.421 1.002 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200688357 748310819 /nfs/dbraw/zinc/31/08/19/748310819.db2.gz NWDFAQSPEFXHKI-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201239807 748440386 /nfs/dbraw/zinc/44/03/86/748440386.db2.gz LEWLHGIKYDTODR-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033146126 748563492 /nfs/dbraw/zinc/56/34/92/748563492.db2.gz NRUMSSMRNAVRGU-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033146126 748563500 /nfs/dbraw/zinc/56/35/00/748563500.db2.gz NRUMSSMRNAVRGU-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033222564 748977036 /nfs/dbraw/zinc/97/70/36/748977036.db2.gz HGASAPDSDMVFEZ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033222564 748977042 /nfs/dbraw/zinc/97/70/42/748977042.db2.gz HGASAPDSDMVFEZ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001033222564 748977048 /nfs/dbraw/zinc/97/70/48/748977048.db2.gz HGASAPDSDMVFEZ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033222564 748977051 /nfs/dbraw/zinc/97/70/51/748977051.db2.gz HGASAPDSDMVFEZ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033222564 748977060 /nfs/dbraw/zinc/97/70/60/748977060.db2.gz HGASAPDSDMVFEZ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817311 749040725 /nfs/dbraw/zinc/04/07/25/749040725.db2.gz XSZGUBHZGWHHKW-OAGGEKHMSA-N 2 1 318.421 1.116 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817311 749040728 /nfs/dbraw/zinc/04/07/28/749040728.db2.gz XSZGUBHZGWHHKW-OAGGEKHMSA-N 2 1 318.421 1.116 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1[C@H]2C[N@@H+](CC/C=C\CC)C[C@@H]12 ZINC001114422287 749188564 /nfs/dbraw/zinc/18/85/64/749188564.db2.gz YLMMNAQZJOMGBM-JUVDXXQXSA-N 2 1 315.461 1.487 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1[C@H]2C[N@H+](CC/C=C\CC)C[C@@H]12 ZINC001114422287 749188568 /nfs/dbraw/zinc/18/85/68/749188568.db2.gz YLMMNAQZJOMGBM-JUVDXXQXSA-N 2 1 315.461 1.487 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1[C@H]2C[NH+](CC/C=C\CC)C[C@@H]12 ZINC001114422287 749188573 /nfs/dbraw/zinc/18/85/73/749188573.db2.gz YLMMNAQZJOMGBM-JUVDXXQXSA-N 2 1 315.461 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1[C@H]2C[NH+](CC/C=C\CC)C[C@@H]12 ZINC001114422287 749188577 /nfs/dbraw/zinc/18/85/77/749188577.db2.gz YLMMNAQZJOMGBM-JUVDXXQXSA-N 2 1 315.461 1.487 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1[C@H]2C[N@@H+](CC/C=C/CC)C[C@@H]12 ZINC001114422290 749188649 /nfs/dbraw/zinc/18/86/49/749188649.db2.gz YLMMNAQZJOMGBM-YTLFJSGRSA-N 2 1 315.461 1.487 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1[C@H]2C[N@H+](CC/C=C/CC)C[C@@H]12 ZINC001114422290 749188651 /nfs/dbraw/zinc/18/86/51/749188651.db2.gz YLMMNAQZJOMGBM-YTLFJSGRSA-N 2 1 315.461 1.487 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1[C@H]2C[NH+](CC/C=C/CC)C[C@@H]12 ZINC001114422290 749188653 /nfs/dbraw/zinc/18/86/53/749188653.db2.gz YLMMNAQZJOMGBM-YTLFJSGRSA-N 2 1 315.461 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1[C@H]2C[NH+](CC/C=C/CC)C[C@@H]12 ZINC001114422290 749188656 /nfs/dbraw/zinc/18/86/56/749188656.db2.gz YLMMNAQZJOMGBM-YTLFJSGRSA-N 2 1 315.461 1.487 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366893 749256480 /nfs/dbraw/zinc/25/64/80/749256480.db2.gz WYGGSMFABRMORM-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366893 749256486 /nfs/dbraw/zinc/25/64/86/749256486.db2.gz WYGGSMFABRMORM-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033548661 749503024 /nfs/dbraw/zinc/50/30/24/749503024.db2.gz SJTSWHHJCWSEAH-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001033865391 749992040 /nfs/dbraw/zinc/99/20/40/749992040.db2.gz RNBBHRZHDKYWLX-RRFJBIMHSA-N 2 1 300.406 1.459 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001033865391 749992047 /nfs/dbraw/zinc/99/20/47/749992047.db2.gz RNBBHRZHDKYWLX-RRFJBIMHSA-N 2 1 300.406 1.459 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001033865391 749992053 /nfs/dbraw/zinc/99/20/53/749992053.db2.gz RNBBHRZHDKYWLX-RRFJBIMHSA-N 2 1 300.406 1.459 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855153 749992988 /nfs/dbraw/zinc/99/29/88/749992988.db2.gz HRDKQUNJUYBPTJ-CVEARBPZSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855153 749992993 /nfs/dbraw/zinc/99/29/93/749992993.db2.gz HRDKQUNJUYBPTJ-CVEARBPZSA-N 2 1 314.433 1.707 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005494337 750224377 /nfs/dbraw/zinc/22/43/77/750224377.db2.gz VVNYSLLNZKDJFZ-QGZVFWFLSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111037380 750324231 /nfs/dbraw/zinc/32/42/31/750324231.db2.gz ZZJLGJATQGGDTB-VQHPVUNQSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001005502395 750359822 /nfs/dbraw/zinc/35/98/22/750359822.db2.gz DSXRYRALDFOWDI-SFHVURJKSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC#CC)C2)CC1 ZINC001034539137 750543095 /nfs/dbraw/zinc/54/30/95/750543095.db2.gz VXAWDAXQTMCBNH-GOSISDBHSA-N 2 1 315.461 1.326 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001034614067 750607992 /nfs/dbraw/zinc/60/79/92/750607992.db2.gz HLUGIQCROCEBHK-IHRRRGAJSA-N 2 1 315.845 1.087 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001034614067 750607996 /nfs/dbraw/zinc/60/79/96/750607996.db2.gz HLUGIQCROCEBHK-IHRRRGAJSA-N 2 1 315.845 1.087 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589454 750618551 /nfs/dbraw/zinc/61/85/51/750618551.db2.gz YVIDWECPIPSDGV-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000682558 762084877 /nfs/dbraw/zinc/08/48/77/762084877.db2.gz JQCSNYRGNWCVLB-QZTJIDSGSA-N 2 1 315.461 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000682558 762084888 /nfs/dbraw/zinc/08/48/88/762084888.db2.gz JQCSNYRGNWCVLB-QZTJIDSGSA-N 2 1 315.461 1.632 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001212368261 751131415 /nfs/dbraw/zinc/13/14/15/751131415.db2.gz IHHDJWQQWSSUMQ-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001212368261 751131416 /nfs/dbraw/zinc/13/14/16/751131416.db2.gz IHHDJWQQWSSUMQ-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001212368261 751131417 /nfs/dbraw/zinc/13/14/17/751131417.db2.gz IHHDJWQQWSSUMQ-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114827037 751155155 /nfs/dbraw/zinc/15/51/55/751155155.db2.gz VJILVZNWKKHNEC-LJISPDSOSA-N 2 1 313.873 1.906 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](CC)CC ZINC001114827037 751155159 /nfs/dbraw/zinc/15/51/59/751155159.db2.gz VJILVZNWKKHNEC-LJISPDSOSA-N 2 1 313.873 1.906 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035197562 751280593 /nfs/dbraw/zinc/28/05/93/751280593.db2.gz ZKUPXTQHNPVRAQ-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035227005 751306812 /nfs/dbraw/zinc/30/68/12/751306812.db2.gz MIKBGBOHDVUOLP-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227005 751306817 /nfs/dbraw/zinc/30/68/17/751306817.db2.gz MIKBGBOHDVUOLP-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227005 751306824 /nfs/dbraw/zinc/30/68/24/751306824.db2.gz MIKBGBOHDVUOLP-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997845636 751318974 /nfs/dbraw/zinc/31/89/74/751318974.db2.gz DBZIGOOZLLVZRU-YJBOKZPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032665046 752654292 /nfs/dbraw/zinc/65/42/92/752654292.db2.gz XLQLUIDTHABULW-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001032665046 752654297 /nfs/dbraw/zinc/65/42/97/752654297.db2.gz XLQLUIDTHABULW-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001000757465 762163384 /nfs/dbraw/zinc/16/33/84/762163384.db2.gz OPCWTTDFIXFFOY-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001000757465 762163385 /nfs/dbraw/zinc/16/33/85/762163385.db2.gz OPCWTTDFIXFFOY-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001000757465 762163388 /nfs/dbraw/zinc/16/33/88/762163388.db2.gz OPCWTTDFIXFFOY-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993396 753356315 /nfs/dbraw/zinc/35/63/15/753356315.db2.gz OYIKVRRGMGAZBT-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001006001487 753486683 /nfs/dbraw/zinc/48/66/83/753486683.db2.gz OEFCQRAFXCWUGB-GOSISDBHSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3ncc[nH]3)CC[C@H]21 ZINC001036703073 753499376 /nfs/dbraw/zinc/49/93/76/753499376.db2.gz WKUAHUHZHACQKJ-HUUCEWRRSA-N 2 1 300.406 1.288 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803484 754117443 /nfs/dbraw/zinc/11/74/43/754117443.db2.gz BFPZFCKASUHTNW-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844939 755606678 /nfs/dbraw/zinc/60/66/78/755606678.db2.gz HXGCKGVONQGPLZ-IXDOHACOSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844939 755606679 /nfs/dbraw/zinc/60/66/79/755606679.db2.gz HXGCKGVONQGPLZ-IXDOHACOSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844939 755606681 /nfs/dbraw/zinc/60/66/81/755606681.db2.gz HXGCKGVONQGPLZ-IXDOHACOSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441741 755919372 /nfs/dbraw/zinc/91/93/72/755919372.db2.gz XQPCMUWKJMRUOF-IIDMSEBBSA-N 2 1 323.456 1.659 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441741 755919375 /nfs/dbraw/zinc/91/93/75/755919375.db2.gz XQPCMUWKJMRUOF-IIDMSEBBSA-N 2 1 323.456 1.659 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080441741 755919377 /nfs/dbraw/zinc/91/93/77/755919377.db2.gz XQPCMUWKJMRUOF-IIDMSEBBSA-N 2 1 323.456 1.659 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080441741 755919379 /nfs/dbraw/zinc/91/93/79/755919379.db2.gz XQPCMUWKJMRUOF-IIDMSEBBSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015231867 756180618 /nfs/dbraw/zinc/18/06/18/756180618.db2.gz DXZTZQRDNAHXTK-AWEZNQCLSA-N 2 1 309.373 1.095 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040262621 762466860 /nfs/dbraw/zinc/46/68/60/762466860.db2.gz TVBVPUVVUHLDED-SJLPKXTDSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733130 756505170 /nfs/dbraw/zinc/50/51/70/756505170.db2.gz MSDFLSNWWMILGX-KURKYZTESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733130 756505176 /nfs/dbraw/zinc/50/51/76/756505176.db2.gz MSDFLSNWWMILGX-KURKYZTESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733130 756505177 /nfs/dbraw/zinc/50/51/77/756505177.db2.gz MSDFLSNWWMILGX-KURKYZTESA-N 2 1 313.445 1.708 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081979926 756584819 /nfs/dbraw/zinc/58/48/19/756584819.db2.gz HMYRBBXTNWLHPC-ZACQAIPSSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082052604 756607500 /nfs/dbraw/zinc/60/75/00/756607500.db2.gz IGEQLWMFBAVADL-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052604 756607506 /nfs/dbraw/zinc/60/75/06/756607506.db2.gz IGEQLWMFBAVADL-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052604 756607508 /nfs/dbraw/zinc/60/75/08/756607508.db2.gz IGEQLWMFBAVADL-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040295864 762479803 /nfs/dbraw/zinc/47/98/03/762479803.db2.gz IXESSUMUWGMWLA-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040295864 762479809 /nfs/dbraw/zinc/47/98/09/762479809.db2.gz IXESSUMUWGMWLA-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001015976621 756691449 /nfs/dbraw/zinc/69/14/49/756691449.db2.gz OHKWZWQWSZFOGD-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015976621 756691451 /nfs/dbraw/zinc/69/14/51/756691451.db2.gz OHKWZWQWSZFOGD-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015976621 756691453 /nfs/dbraw/zinc/69/14/53/756691453.db2.gz OHKWZWQWSZFOGD-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015976621 756691455 /nfs/dbraw/zinc/69/14/55/756691455.db2.gz OHKWZWQWSZFOGD-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2 ZINC001016669212 757253030 /nfs/dbraw/zinc/25/30/30/757253030.db2.gz GAQREFXTUYZSNL-JKSUJKDBSA-N 2 1 321.440 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCF)CC2 ZINC001016669212 757253035 /nfs/dbraw/zinc/25/30/35/757253035.db2.gz GAQREFXTUYZSNL-JKSUJKDBSA-N 2 1 321.440 1.414 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347305 757505577 /nfs/dbraw/zinc/50/55/77/757505577.db2.gz MQRCQNBFPHLLIN-IXDOHACOSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853407 757982479 /nfs/dbraw/zinc/98/24/79/757982479.db2.gz NICCTPBMBMVQCF-BRWVUGGUSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017610268 758078263 /nfs/dbraw/zinc/07/82/63/758078263.db2.gz DQQFELOGSBFQCL-ZACQAIPSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610268 758078268 /nfs/dbraw/zinc/07/82/68/758078268.db2.gz DQQFELOGSBFQCL-ZACQAIPSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017610268 758078277 /nfs/dbraw/zinc/07/82/77/758078277.db2.gz DQQFELOGSBFQCL-ZACQAIPSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017610268 758078287 /nfs/dbraw/zinc/07/82/87/758078287.db2.gz DQQFELOGSBFQCL-ZACQAIPSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017610268 758078296 /nfs/dbraw/zinc/07/82/96/758078296.db2.gz DQQFELOGSBFQCL-ZACQAIPSSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001018304433 758714657 /nfs/dbraw/zinc/71/46/57/758714657.db2.gz FLFCCNWITXZVLC-WNKDZCFJSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001018304433 758714663 /nfs/dbraw/zinc/71/46/63/758714663.db2.gz FLFCCNWITXZVLC-WNKDZCFJSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018304433 758714667 /nfs/dbraw/zinc/71/46/67/758714667.db2.gz FLFCCNWITXZVLC-WNKDZCFJSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001018304433 758714673 /nfs/dbraw/zinc/71/46/73/758714673.db2.gz FLFCCNWITXZVLC-WNKDZCFJSA-N 2 1 303.450 1.558 20 30 DDEDMP C=CCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822089 758850837 /nfs/dbraw/zinc/85/08/37/758850837.db2.gz GALBCIICKDKVGU-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822089 758850863 /nfs/dbraw/zinc/85/08/63/758850863.db2.gz GALBCIICKDKVGU-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001246241 762693056 /nfs/dbraw/zinc/69/30/56/762693056.db2.gz UCKABSMMTHNQKS-IRXDYDNUSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001246241 762693063 /nfs/dbraw/zinc/69/30/63/762693063.db2.gz UCKABSMMTHNQKS-IRXDYDNUSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001246241 762693066 /nfs/dbraw/zinc/69/30/66/762693066.db2.gz UCKABSMMTHNQKS-IRXDYDNUSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054142366 759218586 /nfs/dbraw/zinc/21/85/86/759218586.db2.gz BJIWJGPYFHLNQB-QGZVFWFLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085308949 759252672 /nfs/dbraw/zinc/25/26/72/759252672.db2.gz QQUHMGXODWYEKZ-BZUAXINKSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085308949 759252679 /nfs/dbraw/zinc/25/26/79/759252679.db2.gz QQUHMGXODWYEKZ-BZUAXINKSA-N 2 1 309.454 1.299 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001019570966 760075214 /nfs/dbraw/zinc/07/52/14/760075214.db2.gz FJMDJCGWDPRQGN-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CC2)CC1 ZINC001085986751 760657346 /nfs/dbraw/zinc/65/73/46/760657346.db2.gz MENWHWQMSXRHMI-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(=C)C)C2)CC1 ZINC001046849866 767982676 /nfs/dbraw/zinc/98/26/76/767982676.db2.gz LBTWHPKAWQAJBZ-GOSISDBHSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863057 767992722 /nfs/dbraw/zinc/99/27/22/767992722.db2.gz BQJNZXHFRHQGHR-GOSISDBHSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863057 767992728 /nfs/dbraw/zinc/99/27/28/767992728.db2.gz BQJNZXHFRHQGHR-GOSISDBHSA-N 2 1 317.433 1.949 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000198146 761569772 /nfs/dbraw/zinc/56/97/72/761569772.db2.gz KQBKWTHSIBXFTE-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000261758 761607240 /nfs/dbraw/zinc/60/72/40/761607240.db2.gz VIEKJTPEUORTBS-HOCLYGCPSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128711 761765123 /nfs/dbraw/zinc/76/51/23/761765123.db2.gz YKOTXYLYOQJZQG-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128711 761765128 /nfs/dbraw/zinc/76/51/28/761765128.db2.gz YKOTXYLYOQJZQG-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128711 761765133 /nfs/dbraw/zinc/76/51/33/761765133.db2.gz YKOTXYLYOQJZQG-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114527 761805278 /nfs/dbraw/zinc/80/52/78/761805278.db2.gz PEGHYVDLSVHTTC-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(Cl)CN1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001417985 762846726 /nfs/dbraw/zinc/84/67/26/762846726.db2.gz KCVNWHGQFNRWPS-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001417985 762846732 /nfs/dbraw/zinc/84/67/32/762846732.db2.gz KCVNWHGQFNRWPS-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001001417985 762846741 /nfs/dbraw/zinc/84/67/41/762846741.db2.gz KCVNWHGQFNRWPS-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804296 762954188 /nfs/dbraw/zinc/95/41/88/762954188.db2.gz NIOCKMUTEQXVNL-BBWFWOEESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050046427 763059019 /nfs/dbraw/zinc/05/90/19/763059019.db2.gz CVVWYURLCAMZSA-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046427 763059023 /nfs/dbraw/zinc/05/90/23/763059023.db2.gz CVVWYURLCAMZSA-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046427 763059026 /nfs/dbraw/zinc/05/90/26/763059026.db2.gz CVVWYURLCAMZSA-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050184599 763282407 /nfs/dbraw/zinc/28/24/07/763282407.db2.gz MUBOHNCENUYRPM-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046926806 768122885 /nfs/dbraw/zinc/12/28/85/768122885.db2.gz WDVONHBEPZMZMO-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926806 768122890 /nfs/dbraw/zinc/12/28/90/768122890.db2.gz WDVONHBEPZMZMO-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926806 768122894 /nfs/dbraw/zinc/12/28/94/768122894.db2.gz WDVONHBEPZMZMO-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041784990 763325327 /nfs/dbraw/zinc/32/53/27/763325327.db2.gz BCVOPWFYRKFOAC-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041784990 763325336 /nfs/dbraw/zinc/32/53/36/763325336.db2.gz BCVOPWFYRKFOAC-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041784990 763325342 /nfs/dbraw/zinc/32/53/42/763325342.db2.gz BCVOPWFYRKFOAC-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785192 763325594 /nfs/dbraw/zinc/32/55/94/763325594.db2.gz CHKVATKLJJDKOA-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785192 763325604 /nfs/dbraw/zinc/32/56/04/763325604.db2.gz CHKVATKLJJDKOA-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785192 763325612 /nfs/dbraw/zinc/32/56/12/763325612.db2.gz CHKVATKLJJDKOA-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041832230 763384752 /nfs/dbraw/zinc/38/47/52/763384752.db2.gz UWGHWYBTEFALNH-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041832230 763384760 /nfs/dbraw/zinc/38/47/60/763384760.db2.gz UWGHWYBTEFALNH-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041832230 763384769 /nfs/dbraw/zinc/38/47/69/763384769.db2.gz UWGHWYBTEFALNH-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095005 763642551 /nfs/dbraw/zinc/64/25/51/763642551.db2.gz FHFOQGAJAIVRRI-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042095005 763642553 /nfs/dbraw/zinc/64/25/53/763642553.db2.gz FHFOQGAJAIVRRI-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001042095005 763642556 /nfs/dbraw/zinc/64/25/56/763642556.db2.gz FHFOQGAJAIVRRI-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252578 763820918 /nfs/dbraw/zinc/82/09/18/763820918.db2.gz KWVOMQAXBIZKPI-CVEARBPZSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001042252578 763820930 /nfs/dbraw/zinc/82/09/30/763820930.db2.gz KWVOMQAXBIZKPI-CVEARBPZSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256969 763828369 /nfs/dbraw/zinc/82/83/69/763828369.db2.gz BPZYLNQRXGWGRK-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)CC1 ZINC001050631983 763842194 /nfs/dbraw/zinc/84/21/94/763842194.db2.gz BJFXVGIHKFGKLI-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664945 763890386 /nfs/dbraw/zinc/89/03/86/763890386.db2.gz TULIUNGZABBMEW-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001043888351 765151835 /nfs/dbraw/zinc/15/18/35/765151835.db2.gz UYBUQAUONWESLU-QGZVFWFLSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001043888351 765151837 /nfs/dbraw/zinc/15/18/37/765151837.db2.gz UYBUQAUONWESLU-QGZVFWFLSA-N 2 1 311.445 1.918 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001044679357 765748294 /nfs/dbraw/zinc/74/82/94/765748294.db2.gz ACHSUGPKZBLPGK-GXTWGEPZSA-N 2 1 310.829 1.913 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395585 765785010 /nfs/dbraw/zinc/78/50/10/765785010.db2.gz VLEKMNQALWQLIS-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395585 765785015 /nfs/dbraw/zinc/78/50/15/765785015.db2.gz VLEKMNQALWQLIS-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395585 765785021 /nfs/dbraw/zinc/78/50/21/765785021.db2.gz VLEKMNQALWQLIS-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045476118 766333152 /nfs/dbraw/zinc/33/31/52/766333152.db2.gz ZWNFGEKEJMWQMP-SJORKVTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045479180 766336829 /nfs/dbraw/zinc/33/68/29/766336829.db2.gz VRISPIQULHHCRO-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001114304510 766867303 /nfs/dbraw/zinc/86/73/03/766867303.db2.gz SCRBHFOVNBRCGT-FIDHJVLJSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114304510 766867313 /nfs/dbraw/zinc/86/73/13/766867313.db2.gz SCRBHFOVNBRCGT-FIDHJVLJSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001114304510 766867323 /nfs/dbraw/zinc/86/73/23/766867323.db2.gz SCRBHFOVNBRCGT-FIDHJVLJSA-N 2 1 305.466 1.729 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046574946 767704131 /nfs/dbraw/zinc/70/41/31/767704131.db2.gz MBHZGHMHYHVKJQ-CRAIPNDOSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046574946 767704133 /nfs/dbraw/zinc/70/41/33/767704133.db2.gz MBHZGHMHYHVKJQ-CRAIPNDOSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046619959 767745323 /nfs/dbraw/zinc/74/53/23/767745323.db2.gz FMAQWULUYKKREU-YOEHRIQHSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046619959 767745326 /nfs/dbraw/zinc/74/53/26/767745326.db2.gz FMAQWULUYKKREU-YOEHRIQHSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132364929 768778670 /nfs/dbraw/zinc/77/86/70/768778670.db2.gz GXUNXCHVRPAQBJ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132364929 768778674 /nfs/dbraw/zinc/77/86/74/768778674.db2.gz GXUNXCHVRPAQBJ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132488935 768921886 /nfs/dbraw/zinc/92/18/86/768921886.db2.gz DGIXDLZECNTHAH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001048556485 769528763 /nfs/dbraw/zinc/52/87/63/769528763.db2.gz IUETWHAPAPKBRE-TXTZMMAHSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556485 769528772 /nfs/dbraw/zinc/52/87/72/769528772.db2.gz IUETWHAPAPKBRE-TXTZMMAHSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001048556485 769528776 /nfs/dbraw/zinc/52/87/76/769528776.db2.gz IUETWHAPAPKBRE-TXTZMMAHSA-N 2 1 317.477 1.709 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048815452 769934128 /nfs/dbraw/zinc/93/41/28/769934128.db2.gz MCPVCCZDMNVSEG-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048815452 769934142 /nfs/dbraw/zinc/93/41/42/769934142.db2.gz MCPVCCZDMNVSEG-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048815452 769934152 /nfs/dbraw/zinc/93/41/52/769934152.db2.gz MCPVCCZDMNVSEG-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC001048870068 770020620 /nfs/dbraw/zinc/02/06/20/770020620.db2.gz NTAPIQNZSDERMM-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCC3)C[C@@H]2C1 ZINC001048870068 770020630 /nfs/dbraw/zinc/02/06/30/770020630.db2.gz NTAPIQNZSDERMM-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001048870068 770020637 /nfs/dbraw/zinc/02/06/37/770020637.db2.gz NTAPIQNZSDERMM-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001048870068 770020651 /nfs/dbraw/zinc/02/06/51/770020651.db2.gz NTAPIQNZSDERMM-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001048869903 770021209 /nfs/dbraw/zinc/02/12/09/770021209.db2.gz GXBJQFGLFUHMGQ-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001048869903 770021220 /nfs/dbraw/zinc/02/12/20/770021220.db2.gz GXBJQFGLFUHMGQ-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001048869903 770021230 /nfs/dbraw/zinc/02/12/30/770021230.db2.gz GXBJQFGLFUHMGQ-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001048869903 770021240 /nfs/dbraw/zinc/02/12/40/770021240.db2.gz GXBJQFGLFUHMGQ-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071919388 770289369 /nfs/dbraw/zinc/28/93/69/770289369.db2.gz ATUCMLFJKXKPTR-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049132592 770434328 /nfs/dbraw/zinc/43/43/28/770434328.db2.gz UTWPEGCUSIPKFF-CALCHBBNSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718396 771111670 /nfs/dbraw/zinc/11/16/70/771111670.db2.gz MALCKGMVOBEZED-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718396 771111672 /nfs/dbraw/zinc/11/16/72/771111672.db2.gz MALCKGMVOBEZED-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718396 771111673 /nfs/dbraw/zinc/11/16/73/771111673.db2.gz MALCKGMVOBEZED-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789825 771159564 /nfs/dbraw/zinc/15/95/64/771159564.db2.gz HLPVXSODTFNGHM-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789825 771159566 /nfs/dbraw/zinc/15/95/66/771159566.db2.gz HLPVXSODTFNGHM-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049842764 771200034 /nfs/dbraw/zinc/20/00/34/771200034.db2.gz YAOQRIPDEKLVDA-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049842764 771200036 /nfs/dbraw/zinc/20/00/36/771200036.db2.gz YAOQRIPDEKLVDA-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049842764 771200041 /nfs/dbraw/zinc/20/00/41/771200041.db2.gz YAOQRIPDEKLVDA-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049917872 771257916 /nfs/dbraw/zinc/25/79/16/771257916.db2.gz IUXJYLRKDSJBAI-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCF)CC1 ZINC001049917995 771258857 /nfs/dbraw/zinc/25/88/57/771258857.db2.gz JMFYRKYICORGFS-DLBZAZTESA-N 2 1 321.440 1.366 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049919772 771261390 /nfs/dbraw/zinc/26/13/90/771261390.db2.gz PNKDDXUVIPAPCV-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919772 771261395 /nfs/dbraw/zinc/26/13/95/771261395.db2.gz PNKDDXUVIPAPCV-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919772 771261398 /nfs/dbraw/zinc/26/13/98/771261398.db2.gz PNKDDXUVIPAPCV-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC)CC1 ZINC001049920309 771261868 /nfs/dbraw/zinc/26/18/68/771261868.db2.gz RXPMTDRNSFHZLR-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481710 771529782 /nfs/dbraw/zinc/52/97/82/771529782.db2.gz WGHGFTYRPMLFQX-SJORKVTESA-N 2 1 315.461 1.667 20 30 DDEDMP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135693115 771658046 /nfs/dbraw/zinc/65/80/46/771658046.db2.gz XMXZVCDVNPIKAN-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=C)Cl)C1 ZINC001091075740 772510205 /nfs/dbraw/zinc/51/02/05/772510205.db2.gz WZNMQEKYGPRYLN-NRXISQOPSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=C)Cl)C1 ZINC001091075740 772510208 /nfs/dbraw/zinc/51/02/08/772510208.db2.gz WZNMQEKYGPRYLN-NRXISQOPSA-N 2 1 309.841 1.321 20 30 DDEDMP C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001171225229 772628396 /nfs/dbraw/zinc/62/83/96/772628396.db2.gz YWHIXVMAPPQEKH-INIZCTEOSA-N 2 1 300.450 1.668 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248458 772710394 /nfs/dbraw/zinc/71/03/94/772710394.db2.gz VMYLCCCODDPDFA-LSDHHAIUSA-N 2 1 302.422 1.658 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284837 773432368 /nfs/dbraw/zinc/43/23/68/773432368.db2.gz HFRRCNYANSRSQF-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148655896 773552682 /nfs/dbraw/zinc/55/26/82/773552682.db2.gz NYBRCSQGLXFBMV-AWEZNQCLSA-N 2 1 301.394 1.372 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1C ZINC001092689673 774233754 /nfs/dbraw/zinc/23/37/54/774233754.db2.gz POSIIZVDGWKFRU-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=C)C)C[C@H]1C ZINC001092689673 774233757 /nfs/dbraw/zinc/23/37/57/774233757.db2.gz POSIIZVDGWKFRU-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=C)C)C[C@H]1C ZINC001092689673 774233761 /nfs/dbraw/zinc/23/37/61/774233761.db2.gz POSIIZVDGWKFRU-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=C)C)C[C@H]1C ZINC001092689673 774233765 /nfs/dbraw/zinc/23/37/65/774233765.db2.gz POSIIZVDGWKFRU-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036855549 774966683 /nfs/dbraw/zinc/96/66/83/774966683.db2.gz CUQNYSHHRPSQAM-RDJZCZTQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013854 775568595 /nfs/dbraw/zinc/56/85/95/775568595.db2.gz UAXQGUVCNSXMBW-GJZGRUSLSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013854 775568603 /nfs/dbraw/zinc/56/86/03/775568603.db2.gz UAXQGUVCNSXMBW-GJZGRUSLSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013854 775568610 /nfs/dbraw/zinc/56/86/10/775568610.db2.gz UAXQGUVCNSXMBW-GJZGRUSLSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036895942 776007541 /nfs/dbraw/zinc/00/75/41/776007541.db2.gz GYKSTHTYPZKXAD-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036895942 776007549 /nfs/dbraw/zinc/00/75/49/776007549.db2.gz GYKSTHTYPZKXAD-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903523 776079708 /nfs/dbraw/zinc/07/97/08/776079708.db2.gz BSYRXRKUJMYUMF-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100415424 776122139 /nfs/dbraw/zinc/12/21/39/776122139.db2.gz PXRRXBRRIWDWKT-JCYILVPMSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC=C(C)C)C1 ZINC001100415424 776122142 /nfs/dbraw/zinc/12/21/42/776122142.db2.gz PXRRXBRRIWDWKT-JCYILVPMSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100757738 776506187 /nfs/dbraw/zinc/50/61/87/776506187.db2.gz HRMXTCZGZDQDAS-UHFFFAOYSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257847 777016476 /nfs/dbraw/zinc/01/64/76/777016476.db2.gz PDYLWGVWGCBCGE-NUJGCVRESA-N 2 1 323.456 1.470 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432257 777136366 /nfs/dbraw/zinc/13/63/66/777136366.db2.gz JKAXBBXZGGMXMJ-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102613407 778239873 /nfs/dbraw/zinc/23/98/73/778239873.db2.gz ZZLZXHBKBLHCRA-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103379063 778830897 /nfs/dbraw/zinc/83/08/97/778830897.db2.gz YIZHHVQQLMNFLE-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001178815350 779201255 /nfs/dbraw/zinc/20/12/55/779201255.db2.gz AGXXVQZJXCRLLH-DLBZAZTESA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001178815353 779201924 /nfs/dbraw/zinc/20/19/24/779201924.db2.gz AGXXVQZJXCRLLH-IRXDYDNUSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891362 779212386 /nfs/dbraw/zinc/21/23/86/779212386.db2.gz PRJMIBYYFCROOA-SOUVJXGZSA-N 2 1 300.406 1.363 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905489 779551092 /nfs/dbraw/zinc/55/10/92/779551092.db2.gz FCZFPKWPIHUWQN-WMZOPIPTSA-N 2 1 321.465 1.256 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905489 779551093 /nfs/dbraw/zinc/55/10/93/779551093.db2.gz FCZFPKWPIHUWQN-WMZOPIPTSA-N 2 1 321.465 1.256 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCCCCC[NH2+]CC#CCOC ZINC001180123662 779631162 /nfs/dbraw/zinc/63/11/62/779631162.db2.gz KCKZGELMLKNDTA-UHFFFAOYSA-N 2 1 311.470 1.244 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205915 779648253 /nfs/dbraw/zinc/64/82/53/779648253.db2.gz DNTZEYMHXYNBIL-JHJVBQTASA-N 2 1 319.371 1.493 20 30 DDEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267145032 837412739 /nfs/dbraw/zinc/41/27/39/837412739.db2.gz LSRFFORVVJRORW-RHSMWYFYSA-N 2 1 311.445 1.707 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267179059 837477368 /nfs/dbraw/zinc/47/73/68/837477368.db2.gz JYKDKFROJOCJNT-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267179059 837477376 /nfs/dbraw/zinc/47/73/76/837477376.db2.gz JYKDKFROJOCJNT-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267179059 837477384 /nfs/dbraw/zinc/47/73/84/837477384.db2.gz JYKDKFROJOCJNT-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250124 837669455 /nfs/dbraw/zinc/66/94/55/837669455.db2.gz FQBQHGMKEZYDEQ-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250124 837669462 /nfs/dbraw/zinc/66/94/62/837669462.db2.gz FQBQHGMKEZYDEQ-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP C=C(C)C[NH2+][C@H](CNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001266417473 836227205 /nfs/dbraw/zinc/22/72/05/836227205.db2.gz FNAIPAGPIJTPBD-OAHLLOKOSA-N 2 1 306.410 1.410 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC/C=C\CC)C1 ZINC001266517939 836401184 /nfs/dbraw/zinc/40/11/84/836401184.db2.gz QCKMWAQPHVHHPN-SLXDBMQSSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001266517939 836401190 /nfs/dbraw/zinc/40/11/90/836401190.db2.gz QCKMWAQPHVHHPN-SLXDBMQSSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC/C=C\CC)C1 ZINC001266517939 836401196 /nfs/dbraw/zinc/40/11/96/836401196.db2.gz QCKMWAQPHVHHPN-SLXDBMQSSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC/C=C\CC)C1 ZINC001266517939 836401200 /nfs/dbraw/zinc/40/12/00/836401200.db2.gz QCKMWAQPHVHHPN-SLXDBMQSSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC1CCCC1)C1CC1 ZINC001266597021 836514243 /nfs/dbraw/zinc/51/42/43/836514243.db2.gz SFGNXZONJIYCNN-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC1CCCC1)C1CC1 ZINC001266597021 836514247 /nfs/dbraw/zinc/51/42/47/836514247.db2.gz SFGNXZONJIYCNN-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCC1)C1CC1 ZINC001266597021 836514252 /nfs/dbraw/zinc/51/42/52/836514252.db2.gz SFGNXZONJIYCNN-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CCCC1)C1CC1 ZINC001266597021 836514259 /nfs/dbraw/zinc/51/42/59/836514259.db2.gz SFGNXZONJIYCNN-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1 ZINC001266939414 837086297 /nfs/dbraw/zinc/08/62/97/837086297.db2.gz HOIHNSSDDVRNRH-JFIYKMOQSA-N 2 1 313.445 1.473 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001271966531 844246783 /nfs/dbraw/zinc/24/67/83/844246783.db2.gz XIRNCSOWYZEUIN-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001271966531 844246789 /nfs/dbraw/zinc/24/67/89/844246789.db2.gz XIRNCSOWYZEUIN-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001271966531 844246801 /nfs/dbraw/zinc/24/68/01/844246801.db2.gz XIRNCSOWYZEUIN-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267061282 837272716 /nfs/dbraw/zinc/27/27/16/837272716.db2.gz NGOKEMSHOMASBS-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267596881 838395174 /nfs/dbraw/zinc/39/51/74/838395174.db2.gz RBALCNMCMZAZHW-KRWDZBQOSA-N 2 1 313.445 1.775 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001267790920 838984623 /nfs/dbraw/zinc/98/46/23/838984623.db2.gz PYEGIYPCDVSVJX-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001268015389 839375147 /nfs/dbraw/zinc/37/51/47/839375147.db2.gz LJHXOTLCQICXON-MRXNPFEDSA-N 2 1 301.434 1.484 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268015389 839375161 /nfs/dbraw/zinc/37/51/61/839375161.db2.gz LJHXOTLCQICXON-MRXNPFEDSA-N 2 1 301.434 1.484 20 30 DDEDMP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268498180 840309245 /nfs/dbraw/zinc/30/92/45/840309245.db2.gz VAUJTVXNNAEWSR-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268584287 840488049 /nfs/dbraw/zinc/48/80/49/840488049.db2.gz YFQKNCWIGVDAMZ-LLYBFZRZSA-N 2 1 302.422 1.592 20 30 DDEDMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269564599 841771058 /nfs/dbraw/zinc/77/10/58/841771058.db2.gz FVUOMERRMZCZSK-AJYUKVHDSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001270151086 842336650 /nfs/dbraw/zinc/33/66/50/842336650.db2.gz SFHLFVFSIMSONE-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001270364173 842517733 /nfs/dbraw/zinc/51/77/33/842517733.db2.gz NBZSNFDVAWJRCS-CVEARBPZSA-N 2 1 323.456 1.612 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001326436008 861367852 /nfs/dbraw/zinc/36/78/52/861367852.db2.gz AVRZPLPWTKFDIH-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001326436008 861367862 /nfs/dbraw/zinc/36/78/62/861367862.db2.gz AVRZPLPWTKFDIH-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001271551248 843690137 /nfs/dbraw/zinc/69/01/37/843690137.db2.gz KADLSZVZCUCSGA-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001409471270 845145134 /nfs/dbraw/zinc/14/51/34/845145134.db2.gz NIMCKQJZSDAATH-CABCVRRESA-N 2 1 316.449 1.881 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCC1 ZINC001326875640 861679617 /nfs/dbraw/zinc/67/96/17/861679617.db2.gz QFVILBSUAVWJHJ-OAHLLOKOSA-N 2 1 316.449 1.959 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC=C(C)C)CC1 ZINC001005518446 848069385 /nfs/dbraw/zinc/06/93/85/848069385.db2.gz KQXSGRREXFEUFP-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC=C(C)C)CC1 ZINC001005518446 848069391 /nfs/dbraw/zinc/06/93/91/848069391.db2.gz KQXSGRREXFEUFP-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001410471708 849376555 /nfs/dbraw/zinc/37/65/55/849376555.db2.gz IAADXKURSDDNQK-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001273316483 849420257 /nfs/dbraw/zinc/42/02/57/849420257.db2.gz SURSUNQYZQMPBY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CO2 ZINC001327412219 862153009 /nfs/dbraw/zinc/15/30/09/862153009.db2.gz KGRYCTHMNBFAII-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)CCO1 ZINC001280658895 851908545 /nfs/dbraw/zinc/90/85/45/851908545.db2.gz GKLLSPGVHXXSKD-CYBMUJFWSA-N 2 1 306.410 1.080 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275134841 852829797 /nfs/dbraw/zinc/82/97/97/852829797.db2.gz CCGHHWUTAYDNMJ-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275134841 852829804 /nfs/dbraw/zinc/82/98/04/852829804.db2.gz CCGHHWUTAYDNMJ-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275134841 852829809 /nfs/dbraw/zinc/82/98/09/852829809.db2.gz CCGHHWUTAYDNMJ-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275310090 852970105 /nfs/dbraw/zinc/97/01/05/852970105.db2.gz ZLFQAXDPRSLAAM-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CCCC2)CC1 ZINC001275730738 853642817 /nfs/dbraw/zinc/64/28/17/853642817.db2.gz XBPFQIRUHUBFPU-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001275883113 853905600 /nfs/dbraw/zinc/90/56/00/853905600.db2.gz YBWLWHGULUWZFH-CQSZACIVSA-N 2 1 311.389 1.341 20 30 DDEDMP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001275915758 853934192 /nfs/dbraw/zinc/93/41/92/853934192.db2.gz QIIIWBUUCVWCKH-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1CC#N)C2 ZINC001276241917 855033641 /nfs/dbraw/zinc/03/36/41/855033641.db2.gz BMRUKAGUCGPWCW-APWZRJJASA-N 2 1 312.461 1.820 20 30 DDEDMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001276290707 855093246 /nfs/dbraw/zinc/09/32/46/855093246.db2.gz SICOACZILDZHCK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001276290707 855093250 /nfs/dbraw/zinc/09/32/50/855093250.db2.gz SICOACZILDZHCK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276290707 855093255 /nfs/dbraw/zinc/09/32/55/855093255.db2.gz SICOACZILDZHCK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276290707 855093259 /nfs/dbraw/zinc/09/32/59/855093259.db2.gz SICOACZILDZHCK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001328128939 862711049 /nfs/dbraw/zinc/71/10/49/862711049.db2.gz RXOGFYJLEVHAJA-UHFFFAOYSA-N 2 1 322.497 1.121 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072735585 857654381 /nfs/dbraw/zinc/65/43/81/857654381.db2.gz ILFQQFOCRWHTMA-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072835359 857773467 /nfs/dbraw/zinc/77/34/67/857773467.db2.gz BBZDKRHCDRYGGL-AWEZNQCLSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072835359 857773470 /nfs/dbraw/zinc/77/34/70/857773470.db2.gz BBZDKRHCDRYGGL-AWEZNQCLSA-N 2 1 313.873 1.859 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073099569 858099593 /nfs/dbraw/zinc/09/95/93/858099593.db2.gz BIPZACIOAVTGQT-UHFFFAOYSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374939 862985278 /nfs/dbraw/zinc/98/52/78/862985278.db2.gz YSTSSLCLGQRJIG-CVEARBPZSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374939 862985285 /nfs/dbraw/zinc/98/52/85/862985285.db2.gz YSTSSLCLGQRJIG-CVEARBPZSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374939 862985291 /nfs/dbraw/zinc/98/52/91/862985291.db2.gz YSTSSLCLGQRJIG-CVEARBPZSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125947 858120993 /nfs/dbraw/zinc/12/09/93/858120993.db2.gz PNMDKYHWKZCATE-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157965163 864314002 /nfs/dbraw/zinc/31/40/02/864314002.db2.gz QMTUJAGKOTYTAZ-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157973623 864320345 /nfs/dbraw/zinc/32/03/45/864320345.db2.gz LJQGBVQZYGKAFV-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001330935844 864717524 /nfs/dbraw/zinc/71/75/24/864717524.db2.gz SIVIQGFNSZAZLW-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001330935844 864717530 /nfs/dbraw/zinc/71/75/30/864717530.db2.gz SIVIQGFNSZAZLW-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001330935844 864717541 /nfs/dbraw/zinc/71/75/41/864717541.db2.gz SIVIQGFNSZAZLW-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001330935844 864717552 /nfs/dbraw/zinc/71/75/52/864717552.db2.gz SIVIQGFNSZAZLW-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001332024041 865511490 /nfs/dbraw/zinc/51/14/90/865511490.db2.gz BORISYXHGIRSNW-HZPDHXFCSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001332097919 865575866 /nfs/dbraw/zinc/57/58/66/865575866.db2.gz UXOVLJKVVOGDMH-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1 ZINC001332097919 865575873 /nfs/dbraw/zinc/57/58/73/865575873.db2.gz UXOVLJKVVOGDMH-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360277 865798667 /nfs/dbraw/zinc/79/86/67/865798667.db2.gz MSXNSIKQNGZYCY-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP N#Cc1ccc2ncnc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)c2c1 ZINC001160512012 865894566 /nfs/dbraw/zinc/89/45/66/865894566.db2.gz RFYGRNBNXMNWKJ-QGZVFWFLSA-N 2 1 308.389 1.336 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001332664926 866043439 /nfs/dbraw/zinc/04/34/39/866043439.db2.gz OBQWTESYQTVUPL-IAGOWNOFSA-N 2 1 323.481 1.025 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001160957784 866220756 /nfs/dbraw/zinc/22/07/56/866220756.db2.gz TYQHKXHSYJIFPM-HNNXBMFYSA-N 2 1 316.453 1.291 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1ccnc(N2CC[NH+](C)CC2)n1 ZINC001160957784 866220768 /nfs/dbraw/zinc/22/07/68/866220768.db2.gz TYQHKXHSYJIFPM-HNNXBMFYSA-N 2 1 316.453 1.291 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C1CC1 ZINC001323063372 866308850 /nfs/dbraw/zinc/30/88/50/866308850.db2.gz MCCOMORWRVFBPR-INIZCTEOSA-N 2 1 318.421 1.554 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001333355179 866662840 /nfs/dbraw/zinc/66/28/40/866662840.db2.gz YVDHTKXBFXNIAK-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001333355179 866662856 /nfs/dbraw/zinc/66/28/56/866662856.db2.gz YVDHTKXBFXNIAK-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001333355179 866662866 /nfs/dbraw/zinc/66/28/66/866662866.db2.gz YVDHTKXBFXNIAK-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001323642547 866744145 /nfs/dbraw/zinc/74/41/45/866744145.db2.gz NQFRDTUDUBICPD-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CCCCCC1 ZINC001323721033 866796032 /nfs/dbraw/zinc/79/60/32/866796032.db2.gz CHTVQYNCROZCJA-UHFFFAOYSA-N 2 1 305.466 1.856 20 30 DDEDMP CC#CC[NH2+]C/C=C/CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001321177237 867377472 /nfs/dbraw/zinc/37/74/72/867377472.db2.gz YCYTWEABMGZTCW-CMDGGOBGSA-N 2 1 305.466 1.926 20 30 DDEDMP C=C(C)C[NH2+]CCCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001322516801 868217151 /nfs/dbraw/zinc/21/71/51/868217151.db2.gz KLDYVMFSORFTAB-MRXNPFEDSA-N 2 1 319.453 1.804 20 30 DDEDMP C=C(C)C[NH2+]CCCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001322516801 868217159 /nfs/dbraw/zinc/21/71/59/868217159.db2.gz KLDYVMFSORFTAB-MRXNPFEDSA-N 2 1 319.453 1.804 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001337884656 869668969 /nfs/dbraw/zinc/66/89/69/869668969.db2.gz KCUWUGKLFPMMJT-HZMVEIRTSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001337884656 869668972 /nfs/dbraw/zinc/66/89/72/869668972.db2.gz KCUWUGKLFPMMJT-HZMVEIRTSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001166205691 869901927 /nfs/dbraw/zinc/90/19/27/869901927.db2.gz VXGQNXQMPCQGQY-UHFFFAOYSA-N 2 1 316.449 1.824 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736439 870208985 /nfs/dbraw/zinc/20/89/85/870208985.db2.gz LHCSKIMKGUHSBR-UHFFFAOYSA-N 2 1 304.394 1.003 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001317321919 870638502 /nfs/dbraw/zinc/63/85/02/870638502.db2.gz KUMMFKULUDSGPI-JKSUJKDBSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001276440060 870930806 /nfs/dbraw/zinc/93/08/06/870930806.db2.gz PBPCMNCJUHKSOW-AWEZNQCLSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001317601618 871178380 /nfs/dbraw/zinc/17/83/80/871178380.db2.gz ZRNBHNYVXQVUQL-LBPRGKRZSA-N 2 1 318.259 1.427 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](F)CC)CC1 ZINC001205479306 871574377 /nfs/dbraw/zinc/57/43/77/871574377.db2.gz FYTDWJCQGNQPTG-IRXDYDNUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H](F)CC)CC1 ZINC001205479306 871574395 /nfs/dbraw/zinc/57/43/95/871574395.db2.gz FYTDWJCQGNQPTG-IRXDYDNUSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001317869847 871607340 /nfs/dbraw/zinc/60/73/40/871607340.db2.gz ZBJWBOPLCJFMNU-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001317869847 871607349 /nfs/dbraw/zinc/60/73/49/871607349.db2.gz ZBJWBOPLCJFMNU-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001317869847 871607362 /nfs/dbraw/zinc/60/73/62/871607362.db2.gz ZBJWBOPLCJFMNU-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001317869847 871607372 /nfs/dbraw/zinc/60/73/72/871607372.db2.gz ZBJWBOPLCJFMNU-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001318803511 872278160 /nfs/dbraw/zinc/27/81/60/872278160.db2.gz GDSBGFGNTVZZBG-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001319248714 872519703 /nfs/dbraw/zinc/51/97/03/872519703.db2.gz AWHNIAQMKKOGDS-SJORKVTESA-N 2 1 323.481 1.241 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226859964 882692524 /nfs/dbraw/zinc/69/25/24/882692524.db2.gz FCGYDANZLCSKHG-PCXNWDQESA-N 2 1 323.868 1.854 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl ZINC001226859964 882692532 /nfs/dbraw/zinc/69/25/32/882692532.db2.gz FCGYDANZLCSKHG-PCXNWDQESA-N 2 1 323.868 1.854 20 30 DDEDMP C=CCOCc1nn(C)c2c1C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207396569 873230518 /nfs/dbraw/zinc/23/05/18/873230518.db2.gz MBMVUOBNLPPPBY-UHFFFAOYSA-N 2 1 318.465 1.823 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208091913 873829008 /nfs/dbraw/zinc/82/90/08/873829008.db2.gz GYFDGDWMZRBIPU-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334495 874023446 /nfs/dbraw/zinc/02/34/46/874023446.db2.gz JDSMUTUDQRSIJD-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCCC[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001209160964 874700034 /nfs/dbraw/zinc/70/00/34/874700034.db2.gz FFXGYEONDFFYBF-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](Cc3cnccc3N)C2)C1=O ZINC001209724401 875078514 /nfs/dbraw/zinc/07/85/14/875078514.db2.gz AFIVCSBXHROCQC-QGZVFWFLSA-N 2 1 300.406 1.495 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001209724401 875078521 /nfs/dbraw/zinc/07/85/21/875078521.db2.gz AFIVCSBXHROCQC-QGZVFWFLSA-N 2 1 300.406 1.495 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001209724401 875078528 /nfs/dbraw/zinc/07/85/28/875078528.db2.gz AFIVCSBXHROCQC-QGZVFWFLSA-N 2 1 300.406 1.495 20 30 DDEDMP N#Cc1cccc(C#N)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210266667 875302246 /nfs/dbraw/zinc/30/22/46/875302246.db2.gz PLCKACPSNSWMIW-UHFFFAOYSA-N 2 1 304.357 1.978 20 30 DDEDMP C#CC[NH+]1CCC(OC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001349770332 875359370 /nfs/dbraw/zinc/35/93/70/875359370.db2.gz MEANDEJSSXJCJF-KRWDZBQOSA-N 2 1 310.413 1.840 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588570 875986933 /nfs/dbraw/zinc/98/69/33/875986933.db2.gz LGUHWMVPBAVOOY-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588570 875986957 /nfs/dbraw/zinc/98/69/57/875986957.db2.gz LGUHWMVPBAVOOY-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588570 875986974 /nfs/dbraw/zinc/98/69/74/875986974.db2.gz LGUHWMVPBAVOOY-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588570 875986994 /nfs/dbraw/zinc/98/69/94/875986994.db2.gz LGUHWMVPBAVOOY-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001214666090 876432121 /nfs/dbraw/zinc/43/21/21/876432121.db2.gz UFZPESDUJIWTTL-YYIAUSFCSA-N 2 1 323.481 1.356 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410337 876702167 /nfs/dbraw/zinc/70/21/67/876702167.db2.gz QZVCVASQJVMXLZ-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)[C@@H](O)C1 ZINC001219864193 878552353 /nfs/dbraw/zinc/55/23/53/878552353.db2.gz JXCKSLMQDUERTE-CABCVRRESA-N 2 1 320.437 1.054 20 30 DDEDMP C[N@H+]1C[C@@]23CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@]2(C1)CCCC3 ZINC001356189127 878913888 /nfs/dbraw/zinc/91/38/88/878913888.db2.gz OEMDPMRRCUDYLJ-BHYGNILZSA-N 2 1 304.438 1.342 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001223258440 880889380 /nfs/dbraw/zinc/88/93/80/880889380.db2.gz JGTJDAYBDBPDBF-OAHLLOKOSA-N 2 1 316.449 1.858 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001223466168 880971298 /nfs/dbraw/zinc/97/12/98/880971298.db2.gz NXIBXYCIZJHZTQ-OAHLLOKOSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001229468315 883997948 /nfs/dbraw/zinc/99/79/48/883997948.db2.gz DVBVCJMYFSRCLX-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP C=CCCC[N@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001235269906 888519672 /nfs/dbraw/zinc/51/96/72/888519672.db2.gz DUIFIJODYWEJGS-ZIAGYGMSSA-N 2 1 320.355 1.970 20 30 DDEDMP C=CCCC[N@@H+]1C[C@]2(C(F)(F)F)C[NH2+]C[C@]2(C(=O)OCC)C1 ZINC001235269906 888519685 /nfs/dbraw/zinc/51/96/85/888519685.db2.gz DUIFIJODYWEJGS-ZIAGYGMSSA-N 2 1 320.355 1.970 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001277938079 888569607 /nfs/dbraw/zinc/56/96/07/888569607.db2.gz NZEADVWSMKCKSQ-KRWDZBQOSA-N 2 1 315.461 1.621 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277941262 888601123 /nfs/dbraw/zinc/60/11/23/888601123.db2.gz NAHUUBZPAQSDFJ-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)C1 ZINC001278146180 889845859 /nfs/dbraw/zinc/84/58/59/889845859.db2.gz DTFNMDPKXJFFMD-QILLFSRXSA-N 2 1 316.449 1.165 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)C1 ZINC001278146180 889845863 /nfs/dbraw/zinc/84/58/63/889845863.db2.gz DTFNMDPKXJFFMD-QILLFSRXSA-N 2 1 316.449 1.165 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)C1 ZINC001278146180 889845870 /nfs/dbraw/zinc/84/58/70/889845870.db2.gz DTFNMDPKXJFFMD-QILLFSRXSA-N 2 1 316.449 1.165 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)C1 ZINC001278146180 889845878 /nfs/dbraw/zinc/84/58/78/889845878.db2.gz DTFNMDPKXJFFMD-QILLFSRXSA-N 2 1 316.449 1.165 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278388906 891921046 /nfs/dbraw/zinc/92/10/46/891921046.db2.gz NZPGZQOUEDGSRF-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278388906 891921059 /nfs/dbraw/zinc/92/10/59/891921059.db2.gz NZPGZQOUEDGSRF-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278388906 891921073 /nfs/dbraw/zinc/92/10/73/891921073.db2.gz NZPGZQOUEDGSRF-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246303104 892526934 /nfs/dbraw/zinc/52/69/34/892526934.db2.gz GWUHVJMFSORKDE-BQFCYCMXSA-N 3 1 323.481 1.725 20 30 DDEDMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001366564290 894055437 /nfs/dbraw/zinc/05/54/37/894055437.db2.gz JHPBKPIEOFUPRV-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278550285 894193888 /nfs/dbraw/zinc/19/38/88/894193888.db2.gz OJBYQKWJXGFLJC-WMZOPIPTSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001252494616 895213815 /nfs/dbraw/zinc/21/38/15/895213815.db2.gz ZXBXVJHUSYLYRM-IBGZPJMESA-N 2 1 318.461 1.847 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001252557489 895278839 /nfs/dbraw/zinc/27/88/39/895278839.db2.gz MLIQMQRBKMWVIM-RHSMWYFYSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001252557489 895278851 /nfs/dbraw/zinc/27/88/51/895278851.db2.gz MLIQMQRBKMWVIM-RHSMWYFYSA-N 2 1 310.438 1.273 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001252595137 895299262 /nfs/dbraw/zinc/29/92/62/895299262.db2.gz DZFQTPNUGKGPQJ-QRVBRYPASA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCC[C@@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252595137 895299271 /nfs/dbraw/zinc/29/92/71/895299271.db2.gz DZFQTPNUGKGPQJ-QRVBRYPASA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252595137 895299280 /nfs/dbraw/zinc/29/92/80/895299280.db2.gz DZFQTPNUGKGPQJ-QRVBRYPASA-N 2 1 322.493 1.994 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253575852 895898719 /nfs/dbraw/zinc/89/87/19/895898719.db2.gz GGOJFEGAOFJADW-ZBFHGGJFSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253575852 895898730 /nfs/dbraw/zinc/89/87/30/895898730.db2.gz GGOJFEGAOFJADW-ZBFHGGJFSA-N 2 1 310.438 1.273 20 30 DDEDMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)C(C)C ZINC001278918545 897304842 /nfs/dbraw/zinc/30/48/42/897304842.db2.gz RHXKHTBBCAMGDN-HUUCEWRRSA-N 2 1 304.438 1.878 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[NH+]1C ZINC001367788502 897793564 /nfs/dbraw/zinc/79/35/64/897793564.db2.gz OJIMPHLWPUSSOH-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367788502 897793569 /nfs/dbraw/zinc/79/35/69/897793569.db2.gz OJIMPHLWPUSSOH-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367788502 897793577 /nfs/dbraw/zinc/79/35/77/897793577.db2.gz OJIMPHLWPUSSOH-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001263816348 900729595 /nfs/dbraw/zinc/72/95/95/900729595.db2.gz AIHAVRYGYHRYIU-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001264197955 901017913 /nfs/dbraw/zinc/01/79/13/901017913.db2.gz BSFMAAVWALNLMG-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001264197955 901017921 /nfs/dbraw/zinc/01/79/21/901017921.db2.gz BSFMAAVWALNLMG-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001264197955 901017928 /nfs/dbraw/zinc/01/79/28/901017928.db2.gz BSFMAAVWALNLMG-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001264412136 901099345 /nfs/dbraw/zinc/09/93/45/901099345.db2.gz XYOUPNWBKJGEFB-HDICACEKSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001264412136 901099355 /nfs/dbraw/zinc/09/93/55/901099355.db2.gz XYOUPNWBKJGEFB-HDICACEKSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001264559534 901183117 /nfs/dbraw/zinc/18/31/17/901183117.db2.gz ISNLACFJCNXBRE-CVEARBPZSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001265523884 902091564 /nfs/dbraw/zinc/09/15/64/902091564.db2.gz QNYPFYKGGKZWAN-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(=C)C)C1 ZINC001265613088 902202363 /nfs/dbraw/zinc/20/23/63/902202363.db2.gz IFWNHJOGZFYWHH-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(=C)C)C1 ZINC001265613088 902202369 /nfs/dbraw/zinc/20/23/69/902202369.db2.gz IFWNHJOGZFYWHH-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC/C=C/CC)C1 ZINC001265987122 902713680 /nfs/dbraw/zinc/71/36/80/902713680.db2.gz UFUGHKBDXHBNHF-VGRIIWOTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC/C=C/CC)C1 ZINC001265987122 902713685 /nfs/dbraw/zinc/71/36/85/902713685.db2.gz UFUGHKBDXHBNHF-VGRIIWOTSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001279372515 903241098 /nfs/dbraw/zinc/24/10/98/903241098.db2.gz XSLDKVCEAZYRLM-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001370779287 903726574 /nfs/dbraw/zinc/72/65/74/903726574.db2.gz GUUCJOSSWQWDLL-ZDUSSCGKSA-N 2 1 310.829 1.543 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cncn2C)C1 ZINC001370779287 903726578 /nfs/dbraw/zinc/72/65/78/903726578.db2.gz GUUCJOSSWQWDLL-ZDUSSCGKSA-N 2 1 310.829 1.543 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001280758629 903998387 /nfs/dbraw/zinc/99/83/87/903998387.db2.gz DDZXBHCKCPEQCZ-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001280918829 904186134 /nfs/dbraw/zinc/18/61/34/904186134.db2.gz INKYLRVASQPDRI-UHFFFAOYSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001280918829 904186141 /nfs/dbraw/zinc/18/61/41/904186141.db2.gz INKYLRVASQPDRI-UHFFFAOYSA-N 2 1 309.454 1.206 20 30 DDEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392505579 904300284 /nfs/dbraw/zinc/30/02/84/904300284.db2.gz SIEQZQOGKLYFFA-PBHICJAKSA-N 2 1 314.433 1.637 20 30 DDEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001281489305 904930095 /nfs/dbraw/zinc/93/00/95/904930095.db2.gz CTSVBFCDRHKCID-MRXNPFEDSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281612879 905091168 /nfs/dbraw/zinc/09/11/68/905091168.db2.gz HSYWHDGFYFOFPG-MRXNPFEDSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCC1 ZINC001282402926 905747712 /nfs/dbraw/zinc/74/77/12/905747712.db2.gz RYAILRKBJGMNNI-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCC1 ZINC001282402926 905747722 /nfs/dbraw/zinc/74/77/22/905747722.db2.gz RYAILRKBJGMNNI-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1 ZINC001282402926 905747733 /nfs/dbraw/zinc/74/77/33/905747733.db2.gz RYAILRKBJGMNNI-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001282402926 905747751 /nfs/dbraw/zinc/74/77/51/905747751.db2.gz RYAILRKBJGMNNI-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001282677911 905939498 /nfs/dbraw/zinc/93/94/98/905939498.db2.gz KECZQRXURNTSNE-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001282677911 905939513 /nfs/dbraw/zinc/93/95/13/905939513.db2.gz KECZQRXURNTSNE-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC001282810978 906060496 /nfs/dbraw/zinc/06/04/96/906060496.db2.gz LQICKKCIKGQZSN-OAGGEKHMSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001282810978 906060506 /nfs/dbraw/zinc/06/05/06/906060506.db2.gz LQICKKCIKGQZSN-OAGGEKHMSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001282810978 906060531 /nfs/dbraw/zinc/06/05/31/906060531.db2.gz LQICKKCIKGQZSN-OAGGEKHMSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001282879827 906145413 /nfs/dbraw/zinc/14/54/13/906145413.db2.gz XTOFRQTVJWMRER-QKDCVEJESA-N 2 1 302.422 1.487 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001282879827 906145421 /nfs/dbraw/zinc/14/54/21/906145421.db2.gz XTOFRQTVJWMRER-QKDCVEJESA-N 2 1 302.422 1.487 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001284072320 908428961 /nfs/dbraw/zinc/42/89/61/908428961.db2.gz RAVLBGMWSJVSBI-PKOBYXMFSA-N 2 1 317.477 1.999 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001377408887 921798015 /nfs/dbraw/zinc/79/80/15/921798015.db2.gz HIEIPMMPYXRWDS-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)CN1CC[NH+](C)CC1)C(C)C ZINC000081396283 539166421 /nfs/dbraw/zinc/16/64/21/539166421.db2.gz PQYKICVKMTWTCP-KRWDZBQOSA-N 2 1 322.497 1.049 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000272722741 210128042 /nfs/dbraw/zinc/12/80/42/210128042.db2.gz JGUMHKNSDXWZDI-AWEZNQCLSA-N 2 1 306.454 1.586 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000277145269 213324937 /nfs/dbraw/zinc/32/49/37/213324937.db2.gz JINPOKLMYUJKQD-DLBZAZTESA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000277145269 213324939 /nfs/dbraw/zinc/32/49/39/213324939.db2.gz JINPOKLMYUJKQD-DLBZAZTESA-N 2 1 317.433 1.714 20 30 DDEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000591729609 355373915 /nfs/dbraw/zinc/37/39/15/355373915.db2.gz DYGIJVVENJGJHZ-SJORKVTESA-N 2 1 317.433 1.619 20 30 DDEDMP N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593730240 355978291 /nfs/dbraw/zinc/97/82/91/355978291.db2.gz MOOFYUGZHVSXBK-BBWFWOEESA-N 2 1 300.406 1.814 20 30 DDEDMP N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000593730240 355978293 /nfs/dbraw/zinc/97/82/93/355978293.db2.gz MOOFYUGZHVSXBK-BBWFWOEESA-N 2 1 300.406 1.814 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(CC#N)CC1 ZINC000596586533 356925677 /nfs/dbraw/zinc/92/56/77/356925677.db2.gz CTTWDMSRNGQNLG-AWEZNQCLSA-N 2 1 309.458 1.251 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(CC#N)CC1 ZINC000596586533 356925679 /nfs/dbraw/zinc/92/56/79/356925679.db2.gz CTTWDMSRNGQNLG-AWEZNQCLSA-N 2 1 309.458 1.251 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C#N)CCC1 ZINC000596631279 356937136 /nfs/dbraw/zinc/93/71/36/356937136.db2.gz DFRRHKCUGJJISH-AWEZNQCLSA-N 2 1 309.458 1.251 20 30 DDEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599303131 357884552 /nfs/dbraw/zinc/88/45/52/357884552.db2.gz MABHZWNKDVPBTP-SJORKVTESA-N 2 1 323.481 1.721 20 30 DDEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000609133460 360264242 /nfs/dbraw/zinc/26/42/42/360264242.db2.gz JXPIOLHTYMWHOT-OAHLLOKOSA-N 2 1 308.470 1.799 20 30 DDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000609224140 360275181 /nfs/dbraw/zinc/27/51/81/360275181.db2.gz JNSQWEAUXQHJET-QGZVFWFLSA-N 2 1 314.433 1.400 20 30 DDEDMP C=CC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000093359266 193237030 /nfs/dbraw/zinc/23/70/30/193237030.db2.gz XLBCGVMPHRILML-UHFFFAOYSA-N 2 1 301.438 1.626 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000104162805 407348582 /nfs/dbraw/zinc/34/85/82/407348582.db2.gz HFLWJBZMIVHBHO-UHFFFAOYSA-N 2 1 315.465 1.414 20 30 DDEDMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000105897033 407357613 /nfs/dbraw/zinc/35/76/13/407357613.db2.gz GSZWEVUQYMOCDQ-LSDHHAIUSA-N 2 1 317.437 1.843 20 30 DDEDMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000105897033 407357614 /nfs/dbraw/zinc/35/76/14/407357614.db2.gz GSZWEVUQYMOCDQ-LSDHHAIUSA-N 2 1 317.437 1.843 20 30 DDEDMP C=CCCS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000131085306 407720471 /nfs/dbraw/zinc/72/04/71/407720471.db2.gz XNAZINUSIIRREN-OAHLLOKOSA-N 2 1 317.499 1.240 20 30 DDEDMP C=CCCS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000131085306 407720476 /nfs/dbraw/zinc/72/04/76/407720476.db2.gz XNAZINUSIIRREN-OAHLLOKOSA-N 2 1 317.499 1.240 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(Cl)nc1 ZINC000268464883 408055228 /nfs/dbraw/zinc/05/52/28/408055228.db2.gz WEATXUQAAQHDMK-CYBMUJFWSA-N 2 1 309.845 1.666 20 30 DDEDMP COCCNC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000304072369 409572043 /nfs/dbraw/zinc/57/20/43/409572043.db2.gz VSPQVXHMXOSLGB-UHFFFAOYSA-N 2 1 323.441 1.054 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000304806722 409644203 /nfs/dbraw/zinc/64/42/03/409644203.db2.gz SKPLPGVAXIZKMC-CVEARBPZSA-N 2 1 308.470 1.582 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000304806724 409645949 /nfs/dbraw/zinc/64/59/49/409645949.db2.gz SKPLPGVAXIZKMC-HZPDHXFCSA-N 2 1 308.470 1.582 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000328030627 409930345 /nfs/dbraw/zinc/93/03/45/409930345.db2.gz VDZWLEDPIHLJIM-UHFFFAOYSA-N 2 1 309.454 1.931 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000328030627 409930353 /nfs/dbraw/zinc/93/03/53/409930353.db2.gz VDZWLEDPIHLJIM-UHFFFAOYSA-N 2 1 309.454 1.931 20 30 DDEDMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCn3ccnc3C2)C[C@H]1C ZINC000330194164 410583313 /nfs/dbraw/zinc/58/33/13/410583313.db2.gz OOUSLZNTSNBQRK-HZSPNIEDSA-N 2 1 305.426 1.526 20 30 DDEDMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCn3ccnc3C2)C[C@H]1C ZINC000330194164 410583319 /nfs/dbraw/zinc/58/33/19/410583319.db2.gz OOUSLZNTSNBQRK-HZSPNIEDSA-N 2 1 305.426 1.526 20 30 DDEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N(C)C3CC3)CC2)oc1C ZINC000262246489 222273541 /nfs/dbraw/zinc/27/35/41/222273541.db2.gz OVGDDBNFALTGTC-UHFFFAOYSA-N 2 1 319.453 1.912 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn2ccccc12 ZINC000262471822 222283008 /nfs/dbraw/zinc/28/30/08/222283008.db2.gz BFYJNMJMHNCNGZ-AWEZNQCLSA-N 2 1 300.410 1.223 20 30 DDEDMP CN1CC[NH+]=C1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000262682567 222289605 /nfs/dbraw/zinc/28/96/05/222289605.db2.gz WYDRNJXEQAAWKR-INIZCTEOSA-N 2 1 302.422 1.169 20 30 DDEDMP C[C@@H]1C[NH+]=C(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)N1 ZINC000262677288 222290076 /nfs/dbraw/zinc/29/00/76/222290076.db2.gz ULOARXRDKOFTRP-ZBFHGGJFSA-N 2 1 302.422 1.215 20 30 DDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262764780 222292556 /nfs/dbraw/zinc/29/25/56/222292556.db2.gz FRIHLNWBCBXPSG-ZBFHGGJFSA-N 2 1 308.470 1.329 20 30 DDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262764780 222292559 /nfs/dbraw/zinc/29/25/59/222292559.db2.gz FRIHLNWBCBXPSG-ZBFHGGJFSA-N 2 1 308.470 1.329 20 30 DDEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262809891 222295838 /nfs/dbraw/zinc/29/58/38/222295838.db2.gz TZPIYQZJPZSBRQ-AHIWAGSCSA-N 2 1 320.437 1.277 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NCCCn1cc[nH+]c1C ZINC000264073081 222313205 /nfs/dbraw/zinc/31/32/05/222313205.db2.gz DTVFINVVFDQUII-UHFFFAOYSA-N 2 1 301.394 1.695 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccccc1 ZINC000264083141 222315922 /nfs/dbraw/zinc/31/59/22/222315922.db2.gz IWSAVLUCQYVHSR-JKSUJKDBSA-N 2 1 304.438 1.763 20 30 DDEDMP CO[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000367464942 418601027 /nfs/dbraw/zinc/60/10/27/418601027.db2.gz WRIFUZUCUZNPJO-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CO[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000367464942 418601031 /nfs/dbraw/zinc/60/10/31/418601031.db2.gz WRIFUZUCUZNPJO-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CO[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000367464942 418601033 /nfs/dbraw/zinc/60/10/33/418601033.db2.gz WRIFUZUCUZNPJO-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424137574 228233424 /nfs/dbraw/zinc/23/34/24/228233424.db2.gz CCMNHHADRDNEAJ-CQSZACIVSA-N 2 1 317.393 1.146 20 30 DDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424156697 228237744 /nfs/dbraw/zinc/23/77/44/228237744.db2.gz OPDFCQDKMMEAGX-RHSMWYFYSA-N 2 1 314.433 1.571 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000430718573 420181895 /nfs/dbraw/zinc/18/18/95/420181895.db2.gz CRHMCAVRIVXKCW-INIZCTEOSA-N 2 1 303.406 1.462 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000491689205 421202241 /nfs/dbraw/zinc/20/22/41/421202241.db2.gz HHPMFBKWOYQPPA-HOTGVXAUSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000491689205 421202243 /nfs/dbraw/zinc/20/22/43/421202243.db2.gz HHPMFBKWOYQPPA-HOTGVXAUSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000491689205 421202245 /nfs/dbraw/zinc/20/22/45/421202245.db2.gz HHPMFBKWOYQPPA-HOTGVXAUSA-N 2 1 308.470 1.361 20 30 DDEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc(C#N)cs2)C[C@H](C)O1 ZINC000352795419 267047046 /nfs/dbraw/zinc/04/70/46/267047046.db2.gz JOGYMFXCAGCFJT-BETUJISGSA-N 2 1 308.451 1.994 20 30 DDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000447532745 288944643 /nfs/dbraw/zinc/94/46/43/288944643.db2.gz XGUJAJXMSYKAMP-HOCLYGCPSA-N 2 1 306.454 1.601 20 30 DDEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424142195 534133157 /nfs/dbraw/zinc/13/31/57/534133157.db2.gz DLFJLRXCJMWAAV-PVAVHDDUSA-N 2 1 314.433 1.959 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000491496471 526940948 /nfs/dbraw/zinc/94/09/48/526940948.db2.gz QPDBIZXIPDEDCW-PBHICJAKSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000491496471 526940951 /nfs/dbraw/zinc/94/09/51/526940951.db2.gz QPDBIZXIPDEDCW-PBHICJAKSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491496471 526940955 /nfs/dbraw/zinc/94/09/55/526940955.db2.gz QPDBIZXIPDEDCW-PBHICJAKSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491496471 526940959 /nfs/dbraw/zinc/94/09/59/526940959.db2.gz QPDBIZXIPDEDCW-PBHICJAKSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216837 696710451 /nfs/dbraw/zinc/71/04/51/696710451.db2.gz RQUTUUYIPOPWMS-BBWFWOEESA-N 2 1 315.461 1.322 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294990 695208748 /nfs/dbraw/zinc/20/87/48/695208748.db2.gz PXNDUEKYVVCGQS-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972294990 695208751 /nfs/dbraw/zinc/20/87/51/695208751.db2.gz PXNDUEKYVVCGQS-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972294990 695208753 /nfs/dbraw/zinc/20/87/53/695208753.db2.gz PXNDUEKYVVCGQS-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537836 695276099 /nfs/dbraw/zinc/27/60/99/695276099.db2.gz KWCKTYMGAYRHKV-SJLPKXTDSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974655725 695705344 /nfs/dbraw/zinc/70/53/44/695705344.db2.gz YAYSTBCLZBUXIZ-CVEARBPZSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655725 695705346 /nfs/dbraw/zinc/70/53/46/695705346.db2.gz YAYSTBCLZBUXIZ-CVEARBPZSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655725 695705348 /nfs/dbraw/zinc/70/53/48/695705348.db2.gz YAYSTBCLZBUXIZ-CVEARBPZSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877845 695751899 /nfs/dbraw/zinc/75/18/99/695751899.db2.gz UMADZKDIGIPEOR-HOTGVXAUSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877845 695751900 /nfs/dbraw/zinc/75/19/00/695751900.db2.gz UMADZKDIGIPEOR-HOTGVXAUSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972920 695770876 /nfs/dbraw/zinc/77/08/76/695770876.db2.gz QFKWESIWLKTDEG-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972920 695770878 /nfs/dbraw/zinc/77/08/78/695770878.db2.gz QFKWESIWLKTDEG-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972920 695770879 /nfs/dbraw/zinc/77/08/79/695770879.db2.gz QFKWESIWLKTDEG-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972920 695770880 /nfs/dbraw/zinc/77/08/80/695770880.db2.gz QFKWESIWLKTDEG-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977613118 696234484 /nfs/dbraw/zinc/23/44/84/696234484.db2.gz IDXROGMKSMBGDO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977613118 696234486 /nfs/dbraw/zinc/23/44/86/696234486.db2.gz IDXROGMKSMBGDO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977613118 696234487 /nfs/dbraw/zinc/23/44/87/696234487.db2.gz IDXROGMKSMBGDO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977613118 696234489 /nfs/dbraw/zinc/23/44/89/696234489.db2.gz IDXROGMKSMBGDO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980154151 696695192 /nfs/dbraw/zinc/69/51/92/696695192.db2.gz ZKGIDDFSXQAJGF-HRCADAONSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980154151 696695194 /nfs/dbraw/zinc/69/51/94/696695194.db2.gz ZKGIDDFSXQAJGF-HRCADAONSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980167881 696698206 /nfs/dbraw/zinc/69/82/06/696698206.db2.gz GEARITBZFZOHKV-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981665753 696865657 /nfs/dbraw/zinc/86/56/57/696865657.db2.gz FYCFNFBXXGIINP-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981665753 696865659 /nfs/dbraw/zinc/86/56/59/696865659.db2.gz FYCFNFBXXGIINP-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000981665753 696865663 /nfs/dbraw/zinc/86/56/63/696865663.db2.gz FYCFNFBXXGIINP-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000981665753 696865667 /nfs/dbraw/zinc/86/56/67/696865667.db2.gz FYCFNFBXXGIINP-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981991670 696996640 /nfs/dbraw/zinc/99/66/40/696996640.db2.gz LULCPHCVFUEOGS-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982084784 697025718 /nfs/dbraw/zinc/02/57/18/697025718.db2.gz ZKVPBNNBJPNALU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982084784 697025721 /nfs/dbraw/zinc/02/57/21/697025721.db2.gz ZKVPBNNBJPNALU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982084784 697025725 /nfs/dbraw/zinc/02/57/25/697025725.db2.gz ZKVPBNNBJPNALU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000982084784 697025728 /nfs/dbraw/zinc/02/57/28/697025728.db2.gz ZKVPBNNBJPNALU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324390 697066485 /nfs/dbraw/zinc/06/64/85/697066485.db2.gz JVNGMLAHTYSNDC-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324390 697066488 /nfs/dbraw/zinc/06/64/88/697066488.db2.gz JVNGMLAHTYSNDC-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324390 697066490 /nfs/dbraw/zinc/06/64/90/697066490.db2.gz JVNGMLAHTYSNDC-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981324390 697066493 /nfs/dbraw/zinc/06/64/93/697066493.db2.gz JVNGMLAHTYSNDC-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981525504 697118653 /nfs/dbraw/zinc/11/86/53/697118653.db2.gz NRAQQOGGGXRERO-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981525504 697118654 /nfs/dbraw/zinc/11/86/54/697118654.db2.gz NRAQQOGGGXRERO-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981525504 697118655 /nfs/dbraw/zinc/11/86/55/697118655.db2.gz NRAQQOGGGXRERO-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981525504 697118656 /nfs/dbraw/zinc/11/86/56/697118656.db2.gz NRAQQOGGGXRERO-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982556525 697149709 /nfs/dbraw/zinc/14/97/09/697149709.db2.gz HBBBAPDLLCFILX-UOVPBQLFSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982556525 697149710 /nfs/dbraw/zinc/14/97/10/697149710.db2.gz HBBBAPDLLCFILX-UOVPBQLFSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982556525 697149712 /nfs/dbraw/zinc/14/97/12/697149712.db2.gz HBBBAPDLLCFILX-UOVPBQLFSA-N 2 1 305.466 1.541 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554531 697149776 /nfs/dbraw/zinc/14/97/76/697149776.db2.gz YSXKTWNNQKRHPN-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554531 697149777 /nfs/dbraw/zinc/14/97/77/697149777.db2.gz YSXKTWNNQKRHPN-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982554531 697149779 /nfs/dbraw/zinc/14/97/79/697149779.db2.gz YSXKTWNNQKRHPN-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000985470284 697516352 /nfs/dbraw/zinc/51/63/52/697516352.db2.gz OEKBBYRIBJEEMY-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985470284 697516353 /nfs/dbraw/zinc/51/63/53/697516353.db2.gz OEKBBYRIBJEEMY-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000985470284 697516355 /nfs/dbraw/zinc/51/63/55/697516355.db2.gz OEKBBYRIBJEEMY-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000985789157 697573760 /nfs/dbraw/zinc/57/37/60/697573760.db2.gz ITIVNCSEWHQIHC-UHFFFAOYSA-N 2 1 310.829 1.867 20 30 DDEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000985789157 697573761 /nfs/dbraw/zinc/57/37/61/697573761.db2.gz ITIVNCSEWHQIHC-UHFFFAOYSA-N 2 1 310.829 1.867 20 30 DDEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000237573851 697810867 /nfs/dbraw/zinc/81/08/67/697810867.db2.gz GPLQAZOMNZNGNZ-GDBMZVCRSA-N 2 1 303.406 1.524 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)=[NH+]C ZINC000261613213 698429237 /nfs/dbraw/zinc/42/92/37/698429237.db2.gz GFCLPNIRWJESTH-QXSJWSMHSA-N 2 1 320.481 1.593 20 30 DDEDMP CC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779805018 698469000 /nfs/dbraw/zinc/46/90/00/698469000.db2.gz IQMPWRQPFARCBS-CJNGLKHVSA-N 2 1 315.421 1.201 20 30 DDEDMP CC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779805018 698469003 /nfs/dbraw/zinc/46/90/03/698469003.db2.gz IQMPWRQPFARCBS-CJNGLKHVSA-N 2 1 315.421 1.201 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262435491 698469852 /nfs/dbraw/zinc/46/98/52/698469852.db2.gz TVJLYEKQCRCVMR-BVUBDWEXSA-N 2 1 320.481 1.592 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262435491 698469854 /nfs/dbraw/zinc/46/98/54/698469854.db2.gz TVJLYEKQCRCVMR-BVUBDWEXSA-N 2 1 320.481 1.592 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1C ZINC000303891869 698610011 /nfs/dbraw/zinc/61/00/11/698610011.db2.gz QYWYJLAHVGIFIT-OAHLLOKOSA-N 2 1 304.438 1.762 20 30 DDEDMP [NH2+]=C(NCCCC1CCCCC1)NCCC[NH+]1CCOCC1 ZINC000303903971 698611207 /nfs/dbraw/zinc/61/12/07/698611207.db2.gz UPIOWXSOLLFHNW-UHFFFAOYSA-N 2 1 310.486 1.974 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989452271 698627469 /nfs/dbraw/zinc/62/74/69/698627469.db2.gz XSNIQQRFYMPJRT-ZIAGYGMSSA-N 2 1 318.421 1.649 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@H]12 ZINC000991047470 699216092 /nfs/dbraw/zinc/21/60/92/699216092.db2.gz YUWYOFZFBXZWOQ-JENIJYKNSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991047470 699216094 /nfs/dbraw/zinc/21/60/94/699216094.db2.gz YUWYOFZFBXZWOQ-JENIJYKNSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@H]12 ZINC000991047470 699216096 /nfs/dbraw/zinc/21/60/96/699216096.db2.gz YUWYOFZFBXZWOQ-JENIJYKNSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000734464424 699652427 /nfs/dbraw/zinc/65/24/27/699652427.db2.gz TYZUKMHZGFUDGX-ABHNRTSZSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000734464424 699652428 /nfs/dbraw/zinc/65/24/28/699652428.db2.gz TYZUKMHZGFUDGX-ABHNRTSZSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868221198 702007690 /nfs/dbraw/zinc/00/76/90/702007690.db2.gz CFWRYSIWWKRPTL-WBVHZDCISA-N 2 1 320.481 1.763 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000818982020 704041714 /nfs/dbraw/zinc/04/17/14/704041714.db2.gz CEWAMVMENIYGJX-SFHVURJKSA-N 2 1 313.445 1.628 20 30 DDEDMP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876973608 705944768 /nfs/dbraw/zinc/94/47/68/705944768.db2.gz LTVXIZPVPIZUNM-DOTOQJQBSA-N 2 1 312.417 1.346 20 30 DDEDMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876973608 705944770 /nfs/dbraw/zinc/94/47/70/705944770.db2.gz LTVXIZPVPIZUNM-DOTOQJQBSA-N 2 1 312.417 1.346 20 30 DDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863552315 705955926 /nfs/dbraw/zinc/95/59/26/705955926.db2.gz XDQVBPAOXOLCPV-OAHLLOKOSA-N 2 1 311.389 1.720 20 30 DDEDMP C#CCSCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872204112 707326258 /nfs/dbraw/zinc/32/62/58/707326258.db2.gz IISQHQHKYDLCRD-QGZVFWFLSA-N 2 1 304.459 1.579 20 30 DDEDMP C#CCSCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872204112 707326262 /nfs/dbraw/zinc/32/62/62/707326262.db2.gz IISQHQHKYDLCRD-QGZVFWFLSA-N 2 1 304.459 1.579 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884179913 708174834 /nfs/dbraw/zinc/17/48/34/708174834.db2.gz FXWPVYNTOJMTLR-JBCIKUTRSA-N 2 1 318.465 1.506 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000884399418 708280986 /nfs/dbraw/zinc/28/09/86/708280986.db2.gz DOEJJCJNVRYKDT-MRXNPFEDSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000884399418 708280988 /nfs/dbraw/zinc/28/09/88/708280988.db2.gz DOEJJCJNVRYKDT-MRXNPFEDSA-N 2 1 318.465 1.400 20 30 DDEDMP COCC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)CC1CC[NH+](C)CC1 ZINC000886303823 708738837 /nfs/dbraw/zinc/73/88/37/708738837.db2.gz HBZSLWFNGZJQHH-KRWDZBQOSA-N 2 1 323.481 1.721 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000890367728 709841029 /nfs/dbraw/zinc/84/10/29/709841029.db2.gz SJHMSXJQUORIIV-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000890367728 709841031 /nfs/dbraw/zinc/84/10/31/709841031.db2.gz SJHMSXJQUORIIV-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892223564 710398015 /nfs/dbraw/zinc/39/80/15/710398015.db2.gz JWAFSCXIRKXBRI-CQSZACIVSA-N 2 1 314.437 1.201 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000895056342 711390102 /nfs/dbraw/zinc/39/01/02/711390102.db2.gz HMRMWUPHCUBQGT-MRXNPFEDSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963789498 717907206 /nfs/dbraw/zinc/90/72/06/717907206.db2.gz ZZUZWUNSAFALCI-LMBQMVEXSA-N 2 1 303.450 1.509 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108387 717954890 /nfs/dbraw/zinc/95/48/90/717954890.db2.gz XNFKIQZQHMBXHB-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108387 717954895 /nfs/dbraw/zinc/95/48/95/717954895.db2.gz XNFKIQZQHMBXHB-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000926241289 715034445 /nfs/dbraw/zinc/03/44/45/715034445.db2.gz CRXHYTUAHBTCTP-CBZIJGRNSA-N 2 1 323.481 1.090 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517195 715937425 /nfs/dbraw/zinc/93/74/25/715937425.db2.gz MLJKRZOBRMOMSF-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940647208 716895161 /nfs/dbraw/zinc/89/51/61/716895161.db2.gz NPQMWVZKSFUMAZ-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940647208 716895165 /nfs/dbraw/zinc/89/51/65/716895165.db2.gz NPQMWVZKSFUMAZ-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647208 716895168 /nfs/dbraw/zinc/89/51/68/716895168.db2.gz NPQMWVZKSFUMAZ-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647208 716895170 /nfs/dbraw/zinc/89/51/70/716895170.db2.gz NPQMWVZKSFUMAZ-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961350508 716919963 /nfs/dbraw/zinc/91/99/63/716919963.db2.gz XQHSTQXCLADGSW-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941231757 717135049 /nfs/dbraw/zinc/13/50/49/717135049.db2.gz WCCTZGAAVOEVMO-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231757 717135050 /nfs/dbraw/zinc/13/50/50/717135050.db2.gz WCCTZGAAVOEVMO-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231757 717135051 /nfs/dbraw/zinc/13/50/51/717135051.db2.gz WCCTZGAAVOEVMO-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231757 717135053 /nfs/dbraw/zinc/13/50/53/717135053.db2.gz WCCTZGAAVOEVMO-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231757 717135054 /nfs/dbraw/zinc/13/50/54/717135054.db2.gz WCCTZGAAVOEVMO-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961917782 717249640 /nfs/dbraw/zinc/24/96/40/717249640.db2.gz BAMCQCMXJSVCOW-FOLVSLTJSA-N 2 1 300.406 1.076 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961917782 717249643 /nfs/dbraw/zinc/24/96/43/717249643.db2.gz BAMCQCMXJSVCOW-FOLVSLTJSA-N 2 1 300.406 1.076 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942171523 717521857 /nfs/dbraw/zinc/52/18/57/717521857.db2.gz BFCLCUDWQIOOPJ-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558174 717744388 /nfs/dbraw/zinc/74/43/88/717744388.db2.gz SLUFRPYUXDGHNT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582070 717762249 /nfs/dbraw/zinc/76/22/49/717762249.db2.gz RORAOFZBHHCQFU-ZFWWWQNUSA-N 2 1 303.406 1.415 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000963386316 717771316 /nfs/dbraw/zinc/77/13/16/717771316.db2.gz UTNCXDSUZOSPGR-OFLPRAFFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169737 718265260 /nfs/dbraw/zinc/26/52/60/718265260.db2.gz QXOIEGKFNMLJPE-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434369 719497384 /nfs/dbraw/zinc/49/73/84/719497384.db2.gz BPZFPQRVNDELSI-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434369 719497388 /nfs/dbraw/zinc/49/73/88/719497388.db2.gz BPZFPQRVNDELSI-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434369 719497392 /nfs/dbraw/zinc/49/73/92/719497392.db2.gz BPZFPQRVNDELSI-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919806 719869640 /nfs/dbraw/zinc/86/96/40/719869640.db2.gz LBFWQTBTGVTWSU-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968919806 719869644 /nfs/dbraw/zinc/86/96/44/719869644.db2.gz LBFWQTBTGVTWSU-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968919806 719869648 /nfs/dbraw/zinc/86/96/48/719869648.db2.gz LBFWQTBTGVTWSU-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968919806 719869652 /nfs/dbraw/zinc/86/96/52/719869652.db2.gz LBFWQTBTGVTWSU-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000969022660 719928317 /nfs/dbraw/zinc/92/83/17/719928317.db2.gz GWVJCCPZWSCVHF-GJZGRUSLSA-N 2 1 314.433 1.824 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000950090201 720486274 /nfs/dbraw/zinc/48/62/74/720486274.db2.gz YUWZOYMXHPSRDM-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000950090201 720486276 /nfs/dbraw/zinc/48/62/76/720486276.db2.gz YUWZOYMXHPSRDM-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571870 721360322 /nfs/dbraw/zinc/36/03/22/721360322.db2.gz ZRIIZZODKISANB-CJNGLKHVSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571870 721360325 /nfs/dbraw/zinc/36/03/25/721360325.db2.gz ZRIIZZODKISANB-CJNGLKHVSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000971571870 721360328 /nfs/dbraw/zinc/36/03/28/721360328.db2.gz ZRIIZZODKISANB-CJNGLKHVSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000971571870 721360332 /nfs/dbraw/zinc/36/03/32/721360332.db2.gz ZRIIZZODKISANB-CJNGLKHVSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023758390 735442958 /nfs/dbraw/zinc/44/29/58/735442958.db2.gz VPEQBUWHNWTDMR-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023758390 735442959 /nfs/dbraw/zinc/44/29/59/735442959.db2.gz VPEQBUWHNWTDMR-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023758390 735442960 /nfs/dbraw/zinc/44/29/60/735442960.db2.gz VPEQBUWHNWTDMR-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023758390 735442961 /nfs/dbraw/zinc/44/29/61/735442961.db2.gz VPEQBUWHNWTDMR-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCF)C1 ZINC001104306022 733420347 /nfs/dbraw/zinc/42/03/47/733420347.db2.gz GPUMGKZXHFLPHP-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCF)C1 ZINC001104306022 733420350 /nfs/dbraw/zinc/42/03/50/733420350.db2.gz GPUMGKZXHFLPHP-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104306108 733420505 /nfs/dbraw/zinc/42/05/05/733420505.db2.gz LDWZMLAABBWTAG-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CC2)C1 ZINC001104306108 733420508 /nfs/dbraw/zinc/42/05/08/733420508.db2.gz LDWZMLAABBWTAG-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737515 733498221 /nfs/dbraw/zinc/49/82/21/733498221.db2.gz VBGJWYIFAABSHT-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737515 733498227 /nfs/dbraw/zinc/49/82/27/733498227.db2.gz VBGJWYIFAABSHT-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC)CC[C@H]32)CC1 ZINC001021739643 733500528 /nfs/dbraw/zinc/50/05/28/733500528.db2.gz KTVPREYCGOPRMH-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420262 738739269 /nfs/dbraw/zinc/73/92/69/738739269.db2.gz RRUODWLVNXKWTM-CABCVRRESA-N 2 1 305.466 1.615 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873001 734592954 /nfs/dbraw/zinc/59/29/54/734592954.db2.gz DMYKMWYWZGDYKG-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873001 734592956 /nfs/dbraw/zinc/59/29/56/734592956.db2.gz DMYKMWYWZGDYKG-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111873001 734592958 /nfs/dbraw/zinc/59/29/58/734592958.db2.gz DMYKMWYWZGDYKG-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022589529 734624564 /nfs/dbraw/zinc/62/45/64/734624564.db2.gz YVLOFBSGEPAEHY-UXLLHSPISA-N 2 1 303.450 1.654 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC#CCOC)CC1 ZINC001167812699 738851128 /nfs/dbraw/zinc/85/11/28/738851128.db2.gz UTTHCKHPQPVECU-UHFFFAOYSA-N 2 1 323.481 1.244 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027965644 738875337 /nfs/dbraw/zinc/87/53/37/738875337.db2.gz ZPVPONQZAKKFAS-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001023421826 735225255 /nfs/dbraw/zinc/22/52/55/735225255.db2.gz IGFBENQTQCDWIW-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001023421826 735225257 /nfs/dbraw/zinc/22/52/57/735225257.db2.gz IGFBENQTQCDWIW-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)C)C1 ZINC001023421826 735225259 /nfs/dbraw/zinc/22/52/59/735225259.db2.gz IGFBENQTQCDWIW-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC(C)C)C1 ZINC001023421826 735225261 /nfs/dbraw/zinc/22/52/61/735225261.db2.gz IGFBENQTQCDWIW-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023452131 735247209 /nfs/dbraw/zinc/24/72/09/735247209.db2.gz RGLPASQWFPPDQI-CVEARBPZSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001023451942 735247537 /nfs/dbraw/zinc/24/75/37/735247537.db2.gz ORNQAUCWDNVIDU-GJZGRUSLSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516396 735894255 /nfs/dbraw/zinc/89/42/55/735894255.db2.gz JYNYCJQHPBTUEI-CABCVRRESA-N 2 1 302.422 1.602 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624365 735990097 /nfs/dbraw/zinc/99/00/97/735990097.db2.gz QJWUPXJHAFRGBO-INIZCTEOSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624365 735990099 /nfs/dbraw/zinc/99/00/99/735990099.db2.gz QJWUPXJHAFRGBO-INIZCTEOSA-N 2 1 317.433 1.949 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350553 736313207 /nfs/dbraw/zinc/31/32/07/736313207.db2.gz QVJTYOCRDGBJFQ-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293165 736410678 /nfs/dbraw/zinc/41/06/78/736410678.db2.gz AYYVMRVIKVJDIZ-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525628 736737777 /nfs/dbraw/zinc/73/77/77/736737777.db2.gz QJERENALOYQSLR-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596328 736775588 /nfs/dbraw/zinc/77/55/88/736775588.db2.gz APWRFAPLIDAISD-HUUCEWRRSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001032581370 751389649 /nfs/dbraw/zinc/38/96/49/751389649.db2.gz SEAPFUOKUMACDB-ULQDDVLXSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001032581370 751389653 /nfs/dbraw/zinc/38/96/53/751389653.db2.gz SEAPFUOKUMACDB-ULQDDVLXSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067321 737500190 /nfs/dbraw/zinc/50/01/90/737500190.db2.gz WWVOEQZJRCETAN-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066950 737500813 /nfs/dbraw/zinc/50/08/13/737500813.db2.gz HGZXWIRTGCIFBB-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001026549488 737654092 /nfs/dbraw/zinc/65/40/92/737654092.db2.gz SCZTUAKZOUXJKX-GPANFISMSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001026549488 737654096 /nfs/dbraw/zinc/65/40/96/737654096.db2.gz SCZTUAKZOUXJKX-GPANFISMSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CCN1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008541857 737823939 /nfs/dbraw/zinc/82/39/39/737823939.db2.gz SDSMTZOGQFFNFI-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008541857 737823940 /nfs/dbraw/zinc/82/39/40/737823940.db2.gz SDSMTZOGQFFNFI-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008541857 737823946 /nfs/dbraw/zinc/82/39/46/737823946.db2.gz SDSMTZOGQFFNFI-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008541857 737823948 /nfs/dbraw/zinc/82/39/48/737823948.db2.gz SDSMTZOGQFFNFI-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCC2CC2)C1 ZINC001027446639 738301942 /nfs/dbraw/zinc/30/19/42/738301942.db2.gz PUVABHDFDPJNKP-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027446639 738301945 /nfs/dbraw/zinc/30/19/45/738301945.db2.gz PUVABHDFDPJNKP-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CC2)C1 ZINC001027446639 738301950 /nfs/dbraw/zinc/30/19/50/738301950.db2.gz PUVABHDFDPJNKP-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC2CC2)C1 ZINC001027446639 738301953 /nfs/dbraw/zinc/30/19/53/738301953.db2.gz PUVABHDFDPJNKP-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1CC ZINC001087749437 740733568 /nfs/dbraw/zinc/73/35/68/740733568.db2.gz LCZBKXQWYQHVFB-YESZJQIVSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836784 740776850 /nfs/dbraw/zinc/77/68/50/740776850.db2.gz IHWBACKNDYFKCA-XHSDSOJGSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836784 740776854 /nfs/dbraw/zinc/77/68/54/740776854.db2.gz IHWBACKNDYFKCA-XHSDSOJGSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836784 740776860 /nfs/dbraw/zinc/77/68/60/740776860.db2.gz IHWBACKNDYFKCA-XHSDSOJGSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836784 740776863 /nfs/dbraw/zinc/77/68/63/740776863.db2.gz IHWBACKNDYFKCA-XHSDSOJGSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087971940 740899706 /nfs/dbraw/zinc/89/97/06/740899706.db2.gz AYJLBEUAHZMMBZ-VSZNYVQBSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087971940 740899707 /nfs/dbraw/zinc/89/97/07/740899707.db2.gz AYJLBEUAHZMMBZ-VSZNYVQBSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087971940 740899709 /nfs/dbraw/zinc/89/97/09/740899709.db2.gz AYJLBEUAHZMMBZ-VSZNYVQBSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064856 740979157 /nfs/dbraw/zinc/97/91/57/740979157.db2.gz YSKAMCIMPINIFQ-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC)C1 ZINC001088329511 741392808 /nfs/dbraw/zinc/39/28/08/741392808.db2.gz ZPYMWEVSBNGYKT-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC)C1 ZINC001088329511 741392811 /nfs/dbraw/zinc/39/28/11/741392811.db2.gz ZPYMWEVSBNGYKT-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569029 741843990 /nfs/dbraw/zinc/84/39/90/741843990.db2.gz DWQFBFKGODNPIV-RYRKJORJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569029 741843994 /nfs/dbraw/zinc/84/39/94/741843994.db2.gz DWQFBFKGODNPIV-RYRKJORJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569029 741843999 /nfs/dbraw/zinc/84/39/99/741843999.db2.gz DWQFBFKGODNPIV-RYRKJORJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240791 742167774 /nfs/dbraw/zinc/16/77/74/742167774.db2.gz JNEOUFWQJHVINX-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240791 742167777 /nfs/dbraw/zinc/16/77/77/742167777.db2.gz JNEOUFWQJHVINX-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035794956 751882382 /nfs/dbraw/zinc/88/23/82/751882382.db2.gz NTDZVBUMEIWQKR-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035794222 751882595 /nfs/dbraw/zinc/88/25/95/751882595.db2.gz AOUDAGLQKJNKEY-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184712227 744085940 /nfs/dbraw/zinc/08/59/40/744085940.db2.gz KWNZJQBEYDVOII-JKSUJKDBSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185307846 744202024 /nfs/dbraw/zinc/20/20/24/744202024.db2.gz RTBGPYBWEMAULX-DOTOQJQBSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045965414 744522483 /nfs/dbraw/zinc/52/24/83/744522483.db2.gz HAHUUOKHTRTNQV-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045965414 744522485 /nfs/dbraw/zinc/52/24/85/744522485.db2.gz HAHUUOKHTRTNQV-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045965414 744522487 /nfs/dbraw/zinc/52/24/87/744522487.db2.gz HAHUUOKHTRTNQV-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107466 744660908 /nfs/dbraw/zinc/66/09/08/744660908.db2.gz QLQGIWJWELURSA-ARFHVFGLSA-N 2 1 309.429 1.222 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189110487 744820659 /nfs/dbraw/zinc/82/06/59/744820659.db2.gz PWIJKNMNPUWCQP-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC)CC2 ZINC001040731092 744890645 /nfs/dbraw/zinc/89/06/45/744890645.db2.gz DPAZUSJSNVFVIS-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC)CC2 ZINC001040731092 744890648 /nfs/dbraw/zinc/89/06/48/744890648.db2.gz DPAZUSJSNVFVIS-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(CC)CCO3)CCC[C@H]12 ZINC000992491398 744914109 /nfs/dbraw/zinc/91/41/09/744914109.db2.gz FJERWGJRXIQCIG-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992491398 744914111 /nfs/dbraw/zinc/91/41/11/744914111.db2.gz FJERWGJRXIQCIG-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992491398 744914112 /nfs/dbraw/zinc/91/41/12/744914112.db2.gz FJERWGJRXIQCIG-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992491398 744914114 /nfs/dbraw/zinc/91/41/14/744914114.db2.gz FJERWGJRXIQCIG-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992491398 744914116 /nfs/dbraw/zinc/91/41/16/744914116.db2.gz FJERWGJRXIQCIG-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190656356 745287109 /nfs/dbraw/zinc/28/71/09/745287109.db2.gz SJASUVNFVBKNJH-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190656356 745287113 /nfs/dbraw/zinc/28/71/13/745287113.db2.gz SJASUVNFVBKNJH-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190656356 745287117 /nfs/dbraw/zinc/28/71/17/745287117.db2.gz SJASUVNFVBKNJH-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900077 745355179 /nfs/dbraw/zinc/35/51/79/745355179.db2.gz NSLVJKHDUWDHGY-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900077 745355185 /nfs/dbraw/zinc/35/51/85/745355185.db2.gz NSLVJKHDUWDHGY-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900077 745355192 /nfs/dbraw/zinc/35/51/92/745355192.db2.gz NSLVJKHDUWDHGY-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900077 745355198 /nfs/dbraw/zinc/35/51/98/745355198.db2.gz NSLVJKHDUWDHGY-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001190947602 745378626 /nfs/dbraw/zinc/37/86/26/745378626.db2.gz RCSPLJQYVMTHBN-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001190947602 745378632 /nfs/dbraw/zinc/37/86/32/745378632.db2.gz RCSPLJQYVMTHBN-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001190947602 745378638 /nfs/dbraw/zinc/37/86/38/745378638.db2.gz RCSPLJQYVMTHBN-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271527 745505457 /nfs/dbraw/zinc/50/54/57/745505457.db2.gz HMJJPXFVFFVQHU-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561745 745549757 /nfs/dbraw/zinc/54/97/57/745549757.db2.gz SVQUECLNUMROJJ-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106665832 745885063 /nfs/dbraw/zinc/88/50/63/745885063.db2.gz DDIVKSNJTMFXEM-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449586 746375346 /nfs/dbraw/zinc/37/53/46/746375346.db2.gz UXRWLGJWRHZRPL-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449586 746375350 /nfs/dbraw/zinc/37/53/50/746375350.db2.gz UXRWLGJWRHZRPL-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449586 746375355 /nfs/dbraw/zinc/37/53/55/746375355.db2.gz UXRWLGJWRHZRPL-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449586 746375361 /nfs/dbraw/zinc/37/53/61/746375361.db2.gz UXRWLGJWRHZRPL-GOSISDBHSA-N 2 1 313.445 1.674 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926965 746504875 /nfs/dbraw/zinc/50/48/75/746504875.db2.gz WOZGMCIHBUOOAF-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926965 746504878 /nfs/dbraw/zinc/50/48/78/746504878.db2.gz WOZGMCIHBUOOAF-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046926965 746504881 /nfs/dbraw/zinc/50/48/81/746504881.db2.gz WOZGMCIHBUOOAF-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046926965 746504884 /nfs/dbraw/zinc/50/48/84/746504884.db2.gz WOZGMCIHBUOOAF-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197196419 747100057 /nfs/dbraw/zinc/10/00/57/747100057.db2.gz SFESLNQFSDLHOT-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007497156 752175622 /nfs/dbraw/zinc/17/56/22/752175622.db2.gz AZKAYRCEFLGDRC-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007497156 752175626 /nfs/dbraw/zinc/17/56/26/752175626.db2.gz AZKAYRCEFLGDRC-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007497156 752175632 /nfs/dbraw/zinc/17/56/32/752175632.db2.gz AZKAYRCEFLGDRC-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664007 747611965 /nfs/dbraw/zinc/61/19/65/747611965.db2.gz CFOADNYLWSJZMJ-INIZCTEOSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664007 747611972 /nfs/dbraw/zinc/61/19/72/747611972.db2.gz CFOADNYLWSJZMJ-INIZCTEOSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031917577 748203520 /nfs/dbraw/zinc/20/35/20/748203520.db2.gz AUEZJQGOIOQMJO-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200506611 748262089 /nfs/dbraw/zinc/26/20/89/748262089.db2.gz FVRKMKZDPDAURD-QGZVFWFLSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004366295 748367089 /nfs/dbraw/zinc/36/70/89/748367089.db2.gz BJEKMSNNRVKHSA-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004366295 748367095 /nfs/dbraw/zinc/36/70/95/748367095.db2.gz BJEKMSNNRVKHSA-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004366295 748367101 /nfs/dbraw/zinc/36/71/01/748367101.db2.gz BJEKMSNNRVKHSA-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004546080 748538949 /nfs/dbraw/zinc/53/89/49/748538949.db2.gz GETOHXFRDMZMBT-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004546080 748538950 /nfs/dbraw/zinc/53/89/50/748538950.db2.gz GETOHXFRDMZMBT-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202164505 748701837 /nfs/dbraw/zinc/70/18/37/748701837.db2.gz QBQAPHFKZUMHAC-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202164505 748701843 /nfs/dbraw/zinc/70/18/43/748701843.db2.gz QBQAPHFKZUMHAC-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039313733 761926635 /nfs/dbraw/zinc/92/66/35/761926635.db2.gz NANRAKGSEJRYJK-HQSKLWIPSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001000555571 761931358 /nfs/dbraw/zinc/93/13/58/761931358.db2.gz CTUBFBCUNSGODF-HNNXBMFYSA-N 2 1 309.373 1.095 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005392124 749961373 /nfs/dbraw/zinc/96/13/73/749961373.db2.gz WVVNNTADOXSZHX-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554448 750127104 /nfs/dbraw/zinc/12/71/04/750127104.db2.gz ATBMLMIWNSVWGI-LZLYRXPVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428423 762024754 /nfs/dbraw/zinc/02/47/54/762024754.db2.gz MFMPIKBRLBEUMY-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147323 750391266 /nfs/dbraw/zinc/39/12/66/750391266.db2.gz VVAOJXANRDFIKI-ZACQAIPSSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147323 750391272 /nfs/dbraw/zinc/39/12/72/750391272.db2.gz VVAOJXANRDFIKI-ZACQAIPSSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404701 750596496 /nfs/dbraw/zinc/59/64/96/750596496.db2.gz UJLORFRDHXGQNI-HOTGVXAUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001032404701 750596502 /nfs/dbraw/zinc/59/65/02/750596502.db2.gz UJLORFRDHXGQNI-HOTGVXAUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997597792 751143714 /nfs/dbraw/zinc/14/37/14/751143714.db2.gz ZVAQVDXMLLTAAE-RYQLBKOJSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032513977 751152782 /nfs/dbraw/zinc/15/27/82/751152782.db2.gz HBROJAWTDAIYQH-HOTGVXAUSA-N 2 1 323.400 1.742 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653423 751183634 /nfs/dbraw/zinc/18/36/34/751183634.db2.gz LUICICNPORJKME-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C ZINC001114839980 751193535 /nfs/dbraw/zinc/19/35/35/751193535.db2.gz HRMZFRLZGJPMEF-QLPKVWCKSA-N 2 1 323.481 1.213 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114839980 751193540 /nfs/dbraw/zinc/19/35/40/751193540.db2.gz HRMZFRLZGJPMEF-QLPKVWCKSA-N 2 1 323.481 1.213 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114839980 751193544 /nfs/dbraw/zinc/19/35/44/751193544.db2.gz HRMZFRLZGJPMEF-QLPKVWCKSA-N 2 1 323.481 1.213 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035259193 751336968 /nfs/dbraw/zinc/33/69/68/751336968.db2.gz VXDBAZWYNVFKTF-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035259193 751336972 /nfs/dbraw/zinc/33/69/72/751336972.db2.gz VXDBAZWYNVFKTF-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035259193 751336976 /nfs/dbraw/zinc/33/69/76/751336976.db2.gz VXDBAZWYNVFKTF-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000709524 762117695 /nfs/dbraw/zinc/11/76/95/762117695.db2.gz XJXQSOMJUNHOJT-QGZVFWFLSA-N 2 1 301.434 1.100 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008536058 752788771 /nfs/dbraw/zinc/78/87/71/752788771.db2.gz WDJGVORQLUQRNE-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008536058 752788774 /nfs/dbraw/zinc/78/87/74/752788774.db2.gz WDJGVORQLUQRNE-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999999913 753306358 /nfs/dbraw/zinc/30/63/58/753306358.db2.gz OSYKTESSVJOOJL-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999999913 753306361 /nfs/dbraw/zinc/30/63/61/753306361.db2.gz OSYKTESSVJOOJL-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107997983 753394750 /nfs/dbraw/zinc/39/47/50/753394750.db2.gz GJIJBKDMZOUKOT-WMZOPIPTSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006117719 753611126 /nfs/dbraw/zinc/61/11/26/753611126.db2.gz ZKIJVUSFEHYNOG-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001000865449 762280443 /nfs/dbraw/zinc/28/04/43/762280443.db2.gz BLSCNMYPGRVWCX-OAHLLOKOSA-N 2 1 312.417 1.205 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001000865449 762280450 /nfs/dbraw/zinc/28/04/50/762280450.db2.gz BLSCNMYPGRVWCX-OAHLLOKOSA-N 2 1 312.417 1.205 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310735 755843468 /nfs/dbraw/zinc/84/34/68/755843468.db2.gz CLIBBPKWQHEPSO-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310735 755843476 /nfs/dbraw/zinc/84/34/76/755843476.db2.gz CLIBBPKWQHEPSO-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001080310735 755843483 /nfs/dbraw/zinc/84/34/83/755843483.db2.gz CLIBBPKWQHEPSO-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342119 755858221 /nfs/dbraw/zinc/85/82/21/755858221.db2.gz IKLLIPARLXFVDH-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342119 755858226 /nfs/dbraw/zinc/85/82/26/755858226.db2.gz IKLLIPARLXFVDH-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799493 756483830 /nfs/dbraw/zinc/48/38/30/756483830.db2.gz SCISIEZXRWNBSY-IXDOHACOSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799493 756483834 /nfs/dbraw/zinc/48/38/34/756483834.db2.gz SCISIEZXRWNBSY-IXDOHACOSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799493 756483836 /nfs/dbraw/zinc/48/38/36/756483836.db2.gz SCISIEZXRWNBSY-IXDOHACOSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799493 756483838 /nfs/dbraw/zinc/48/38/38/756483838.db2.gz SCISIEZXRWNBSY-IXDOHACOSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001082019961 756598076 /nfs/dbraw/zinc/59/80/76/756598076.db2.gz WOCYKWKGVRAQCG-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703314 756898254 /nfs/dbraw/zinc/89/82/54/756898254.db2.gz LAKZHVGHGXIOMD-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703314 756898261 /nfs/dbraw/zinc/89/82/61/756898261.db2.gz LAKZHVGHGXIOMD-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001016330165 756931839 /nfs/dbraw/zinc/93/18/39/756931839.db2.gz QMSOVLPAZHOYKC-QGZVFWFLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315268 757085564 /nfs/dbraw/zinc/08/55/64/757085564.db2.gz RUIBHHXBZSFJQO-OAGGEKHMSA-N 2 1 303.450 1.770 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631148 757220606 /nfs/dbraw/zinc/22/06/06/757220606.db2.gz OCDQCEAAUJDUHP-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405354 757562089 /nfs/dbraw/zinc/56/20/89/757562089.db2.gz JAZWPEGJHLIADS-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405354 757562095 /nfs/dbraw/zinc/56/20/95/757562095.db2.gz JAZWPEGJHLIADS-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405354 757562102 /nfs/dbraw/zinc/56/21/02/757562102.db2.gz JAZWPEGJHLIADS-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090398695 757646908 /nfs/dbraw/zinc/64/69/08/757646908.db2.gz HJEDSGMEKVDDMJ-CVEARBPZSA-N 2 1 314.389 1.075 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090399285 757733088 /nfs/dbraw/zinc/73/30/88/757733088.db2.gz MUNMDTFSEJTSNS-HZPDHXFCSA-N 2 1 314.389 1.075 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661341 757748320 /nfs/dbraw/zinc/74/83/20/757748320.db2.gz PULLBTLVAFOGDI-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661341 757748328 /nfs/dbraw/zinc/74/83/28/757748328.db2.gz PULLBTLVAFOGDI-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001084661341 757748337 /nfs/dbraw/zinc/74/83/37/757748337.db2.gz PULLBTLVAFOGDI-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084780008 757908344 /nfs/dbraw/zinc/90/83/44/757908344.db2.gz LHHHILARUHIFTF-RHSMWYFYSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084780008 757908352 /nfs/dbraw/zinc/90/83/52/757908352.db2.gz LHHHILARUHIFTF-RHSMWYFYSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017659151 758127770 /nfs/dbraw/zinc/12/77/70/758127770.db2.gz PIHRWVJSZIPOPB-NXOAAHMSSA-N 2 1 303.450 1.865 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001017943769 758412824 /nfs/dbraw/zinc/41/28/24/758412824.db2.gz IFMBZVWBKZIHPX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001017943769 758412831 /nfs/dbraw/zinc/41/28/31/758412831.db2.gz IFMBZVWBKZIHPX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001017943769 758412835 /nfs/dbraw/zinc/41/28/35/758412835.db2.gz IFMBZVWBKZIHPX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001040729671 762663305 /nfs/dbraw/zinc/66/33/05/762663305.db2.gz LIBGDLUOLAUKSC-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CC[NH+](C)CC1)CO2 ZINC001053945316 758981499 /nfs/dbraw/zinc/98/14/99/758981499.db2.gz SOQNMENONPJJSM-INIZCTEOSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054144728 759222527 /nfs/dbraw/zinc/22/25/27/759222527.db2.gz COGSRUFFAQXQKQ-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054144728 759222533 /nfs/dbraw/zinc/22/25/33/759222533.db2.gz COGSRUFFAQXQKQ-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054144728 759222541 /nfs/dbraw/zinc/22/25/41/759222541.db2.gz COGSRUFFAQXQKQ-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165122 759247069 /nfs/dbraw/zinc/24/70/69/759247069.db2.gz ADYCGVDYQCXQCA-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165122 759247073 /nfs/dbraw/zinc/24/70/73/759247073.db2.gz ADYCGVDYQCXQCA-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085312990 759253659 /nfs/dbraw/zinc/25/36/59/759253659.db2.gz FILRBOFWEGVLBF-DJIMGWMZSA-N 2 1 316.449 1.957 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197925 759284012 /nfs/dbraw/zinc/28/40/12/759284012.db2.gz LVILBLLPWUBTIS-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197925 759284017 /nfs/dbraw/zinc/28/40/17/759284017.db2.gz LVILBLLPWUBTIS-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197925 759284022 /nfs/dbraw/zinc/28/40/22/759284022.db2.gz LVILBLLPWUBTIS-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054241076 759333188 /nfs/dbraw/zinc/33/31/88/759333188.db2.gz JPSLEJAUUBMACT-SFHVURJKSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001054244948 759336875 /nfs/dbraw/zinc/33/68/75/759336875.db2.gz LXKDMJRGWRYDNU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244948 759336886 /nfs/dbraw/zinc/33/68/86/759336886.db2.gz LXKDMJRGWRYDNU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001054244948 759336893 /nfs/dbraw/zinc/33/68/93/759336893.db2.gz LXKDMJRGWRYDNU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020250510 760722983 /nfs/dbraw/zinc/72/29/83/760722983.db2.gz GUDFKMAXVFRCTE-BZSNNMDCSA-N 2 1 315.461 1.821 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001020250510 760722989 /nfs/dbraw/zinc/72/29/89/760722989.db2.gz GUDFKMAXVFRCTE-BZSNNMDCSA-N 2 1 315.461 1.821 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086176050 761112861 /nfs/dbraw/zinc/11/28/61/761112861.db2.gz ZCAFWYUBWSBLMX-SOLBZPMBSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086197567 761158256 /nfs/dbraw/zinc/15/82/56/761158256.db2.gz OQJIEHQHCVEEJK-HRCADAONSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038703897 761304534 /nfs/dbraw/zinc/30/45/34/761304534.db2.gz KWCHGVABOQVRAD-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP N#Cc1cccc(C[N@H+]2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001038912866 761538547 /nfs/dbraw/zinc/53/85/47/761538547.db2.gz GZAOFLOUSQGVGB-KRWDZBQOSA-N 2 1 324.428 1.345 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)c1 ZINC001038912866 761538551 /nfs/dbraw/zinc/53/85/51/761538551.db2.gz GZAOFLOUSQGVGB-KRWDZBQOSA-N 2 1 324.428 1.345 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001001279823 762723893 /nfs/dbraw/zinc/72/38/93/762723893.db2.gz SNZZZIACTDLCFQ-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001001279823 762723896 /nfs/dbraw/zinc/72/38/96/762723896.db2.gz SNZZZIACTDLCFQ-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050065447 763080819 /nfs/dbraw/zinc/08/08/19/763080819.db2.gz ABUDFIKNHFQDHL-HRCADAONSA-N 2 1 314.433 1.869 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050065447 763080822 /nfs/dbraw/zinc/08/08/22/763080822.db2.gz ABUDFIKNHFQDHL-HRCADAONSA-N 2 1 314.433 1.869 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041724828 763256355 /nfs/dbraw/zinc/25/63/55/763256355.db2.gz FXBHESBQBYAVQE-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050184602 763282588 /nfs/dbraw/zinc/28/25/88/763282588.db2.gz MUSRHLPBVHBLOT-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050462508 763624677 /nfs/dbraw/zinc/62/46/77/763624677.db2.gz UGOPCVUQXZRIJL-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042122015 763675982 /nfs/dbraw/zinc/67/59/82/763675982.db2.gz KYTVDFBARALHMD-CRAIPNDOSA-N 2 1 322.412 1.812 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156972 763722415 /nfs/dbraw/zinc/72/24/15/763722415.db2.gz LNIHPEOKYXRWSA-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156972 763722417 /nfs/dbraw/zinc/72/24/17/763722417.db2.gz LNIHPEOKYXRWSA-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042158515 763723340 /nfs/dbraw/zinc/72/33/40/763723340.db2.gz YNZBKJWCFXMRPM-WMLDXEAASA-N 2 1 308.385 1.504 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042187796 763755562 /nfs/dbraw/zinc/75/55/62/763755562.db2.gz OKNCLUOITKTLOI-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC=C)[C@@H]3C2)CC1 ZINC001042368943 763972511 /nfs/dbraw/zinc/97/25/11/763972511.db2.gz TVJQIWKZALGSQQ-SJLPKXTDSA-N 2 1 315.461 1.440 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109898834 764181786 /nfs/dbraw/zinc/18/17/86/764181786.db2.gz FMWFLUDKOYVTBD-PVAVHDDUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131683551 768260016 /nfs/dbraw/zinc/26/00/16/768260016.db2.gz ZGWMCIUIEBKJML-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704692 768273543 /nfs/dbraw/zinc/27/35/43/768273543.db2.gz YNVOIYDVAUTHEN-RDJZCZTQSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704692 768273546 /nfs/dbraw/zinc/27/35/46/768273546.db2.gz YNVOIYDVAUTHEN-RDJZCZTQSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704692 768273549 /nfs/dbraw/zinc/27/35/49/768273549.db2.gz YNVOIYDVAUTHEN-RDJZCZTQSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131696891 768277798 /nfs/dbraw/zinc/27/77/98/768277798.db2.gz CJROFDDXIKAEPS-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696891 768277802 /nfs/dbraw/zinc/27/78/02/768277802.db2.gz CJROFDDXIKAEPS-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696891 768277805 /nfs/dbraw/zinc/27/78/05/768277805.db2.gz CJROFDDXIKAEPS-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001113536458 765820613 /nfs/dbraw/zinc/82/06/13/765820613.db2.gz RENOMULRBQMHCR-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590418 765977419 /nfs/dbraw/zinc/97/74/19/765977419.db2.gz AMVQJCMSJGIESH-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438373 766306838 /nfs/dbraw/zinc/30/68/38/766306838.db2.gz RMHRFTNETTYHIM-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046568146 767695406 /nfs/dbraw/zinc/69/54/06/767695406.db2.gz NOMWGBFFHYYTQF-WBVHZDCISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046568146 767695410 /nfs/dbraw/zinc/69/54/10/767695410.db2.gz NOMWGBFFHYYTQF-WBVHZDCISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568146 767695412 /nfs/dbraw/zinc/69/54/12/767695412.db2.gz NOMWGBFFHYYTQF-WBVHZDCISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568146 767695416 /nfs/dbraw/zinc/69/54/16/767695416.db2.gz NOMWGBFFHYYTQF-WBVHZDCISA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525682 768946263 /nfs/dbraw/zinc/94/62/63/768946263.db2.gz UJIZIUPVFCFQIO-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241552 769182978 /nfs/dbraw/zinc/18/29/78/769182978.db2.gz WRUNDXNOXNQEAF-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888332 769290005 /nfs/dbraw/zinc/29/00/05/769290005.db2.gz MHKJAXYOPXZUQW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132887219 769290541 /nfs/dbraw/zinc/29/05/41/769290541.db2.gz CZCFVCDGKAVMAS-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133117847 769509566 /nfs/dbraw/zinc/50/95/66/769509566.db2.gz PAYTYQFFRWVEDN-CVEARBPZSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133263102 769642347 /nfs/dbraw/zinc/64/23/47/769642347.db2.gz PIIISRAJFWACEQ-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133917892 770455089 /nfs/dbraw/zinc/45/50/89/770455089.db2.gz KLMBMPGWWATRMX-UHFFFAOYSA-N 2 1 319.449 1.069 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072098682 770540933 /nfs/dbraw/zinc/54/09/33/770540933.db2.gz DVKSALDMGHJDNS-WBVHZDCISA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049524254 770973678 /nfs/dbraw/zinc/97/36/78/770973678.db2.gz JWBBWUDVMUCOTE-ZACQAIPSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049724904 771115439 /nfs/dbraw/zinc/11/54/39/771115439.db2.gz UQYZHMNSRPITEM-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724904 771115441 /nfs/dbraw/zinc/11/54/41/771115441.db2.gz UQYZHMNSRPITEM-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724904 771115442 /nfs/dbraw/zinc/11/54/42/771115442.db2.gz UQYZHMNSRPITEM-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134808607 771186861 /nfs/dbraw/zinc/18/68/61/771186861.db2.gz KGACEZKGWKLSDO-CHWSQXEVSA-N 2 1 306.410 1.246 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899974 771244297 /nfs/dbraw/zinc/24/42/97/771244297.db2.gz HUUAEDKNMSOJRW-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899974 771244300 /nfs/dbraw/zinc/24/43/00/771244300.db2.gz HUUAEDKNMSOJRW-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135323510 771439092 /nfs/dbraw/zinc/43/90/92/771439092.db2.gz UGHBZFRXRZSSAR-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086803102 771773964 /nfs/dbraw/zinc/77/39/64/771773964.db2.gz PUXZGRYNTHWDHZ-HRCADAONSA-N 2 1 316.449 1.814 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090674357 772095707 /nfs/dbraw/zinc/09/57/07/772095707.db2.gz STFMJECICKYBND-IRXDYDNUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073748167 773371481 /nfs/dbraw/zinc/37/14/81/773371481.db2.gz BUMLXGXBDZAPJG-HNNXBMFYSA-N 2 1 321.421 1.348 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148754996 773593307 /nfs/dbraw/zinc/59/33/07/773593307.db2.gz MHWOBRCLTSAJJA-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148754996 773593310 /nfs/dbraw/zinc/59/33/10/773593310.db2.gz MHWOBRCLTSAJJA-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086941878 773732374 /nfs/dbraw/zinc/73/23/74/773732374.db2.gz CJQNJCXJHNBEFC-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956795 773744403 /nfs/dbraw/zinc/74/44/03/773744403.db2.gz XRUUQYRNENRECQ-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809325 773813026 /nfs/dbraw/zinc/81/30/26/773813026.db2.gz BSSJPJFBPNMBIZ-LMMKCTJWSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809325 773813030 /nfs/dbraw/zinc/81/30/30/773813030.db2.gz BSSJPJFBPNMBIZ-LMMKCTJWSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809325 773813035 /nfs/dbraw/zinc/81/30/35/773813035.db2.gz BSSJPJFBPNMBIZ-LMMKCTJWSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092603312 774185334 /nfs/dbraw/zinc/18/53/34/774185334.db2.gz YBRIKRNONOQDPY-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092603312 774185335 /nfs/dbraw/zinc/18/53/35/774185335.db2.gz YBRIKRNONOQDPY-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092603312 774185336 /nfs/dbraw/zinc/18/53/36/774185336.db2.gz YBRIKRNONOQDPY-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092907092 774314347 /nfs/dbraw/zinc/31/43/47/774314347.db2.gz RQHCKYTZVLBJPB-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907092 774314355 /nfs/dbraw/zinc/31/43/55/774314355.db2.gz RQHCKYTZVLBJPB-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907092 774314361 /nfs/dbraw/zinc/31/43/61/774314361.db2.gz RQHCKYTZVLBJPB-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036832410 774802035 /nfs/dbraw/zinc/80/20/35/774802035.db2.gz BAJRUFVQWQDBAW-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036832410 774802041 /nfs/dbraw/zinc/80/20/41/774802041.db2.gz BAJRUFVQWQDBAW-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110939 774840550 /nfs/dbraw/zinc/84/05/50/774840550.db2.gz MJOBPSJOGAUHJH-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110939 774840558 /nfs/dbraw/zinc/84/05/58/774840558.db2.gz MJOBPSJOGAUHJH-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110939 774840566 /nfs/dbraw/zinc/84/05/66/774840566.db2.gz MJOBPSJOGAUHJH-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099309835 774941928 /nfs/dbraw/zinc/94/19/28/774941928.db2.gz FZFFLGDRPVBVAX-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099309835 774941932 /nfs/dbraw/zinc/94/19/32/774941932.db2.gz FZFFLGDRPVBVAX-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099309835 774941934 /nfs/dbraw/zinc/94/19/34/774941934.db2.gz FZFFLGDRPVBVAX-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521792 775015353 /nfs/dbraw/zinc/01/53/53/775015353.db2.gz TXHSODFPEIUZQK-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450553 775888063 /nfs/dbraw/zinc/88/80/63/775888063.db2.gz UMZOIWMTAFUVER-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450553 775888072 /nfs/dbraw/zinc/88/80/72/775888072.db2.gz UMZOIWMTAFUVER-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450553 775888079 /nfs/dbraw/zinc/88/80/79/775888079.db2.gz UMZOIWMTAFUVER-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503749 775940218 /nfs/dbraw/zinc/94/02/18/775940218.db2.gz QXMRIXYYSSACMT-IEBWSBKVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC)C2)CC1 ZINC001036903489 776078464 /nfs/dbraw/zinc/07/84/64/776078464.db2.gz BADGBFVRZDNVTA-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471125 776200089 /nfs/dbraw/zinc/20/00/89/776200089.db2.gz PZUDIMHDCUZZGM-JCYILVPMSA-N 2 1 305.466 1.615 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171817184 776461502 /nfs/dbraw/zinc/46/15/02/776461502.db2.gz SNMFJPCTBKTPEF-OAHLLOKOSA-N 2 1 320.437 1.106 20 30 DDEDMP C[C@H](C[NH3+])C[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429052 777190104 /nfs/dbraw/zinc/19/01/04/777190104.db2.gz ZXBGXYNJYKSUNM-CQSZACIVSA-N 2 1 314.433 1.689 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108678 777878782 /nfs/dbraw/zinc/87/87/82/777878782.db2.gz XHFYDKIWROAHKM-HZPDHXFCSA-N 2 1 314.433 1.225 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)CCCC[NH2+]CC#CCOC ZINC001176024875 778003358 /nfs/dbraw/zinc/00/33/58/778003358.db2.gz SSYSWTYILZHGEO-INIZCTEOSA-N 2 1 311.470 1.243 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCC=C)C[C@H]1C ZINC001103099237 778638233 /nfs/dbraw/zinc/63/82/33/778638233.db2.gz GAAFMYBXBBVNHF-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCC=C)C[C@H]1C ZINC001103099237 778638237 /nfs/dbraw/zinc/63/82/37/778638237.db2.gz GAAFMYBXBBVNHF-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC=C)C[C@H]1C ZINC001103099237 778638239 /nfs/dbraw/zinc/63/82/39/778638239.db2.gz GAAFMYBXBBVNHF-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCC=C)C[C@H]1C ZINC001103099237 778638243 /nfs/dbraw/zinc/63/82/43/778638243.db2.gz GAAFMYBXBBVNHF-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103099461 778638255 /nfs/dbraw/zinc/63/82/55/778638255.db2.gz MLUQDYQYRSEEHV-ZACQAIPSSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001103099461 778638259 /nfs/dbraw/zinc/63/82/59/778638259.db2.gz MLUQDYQYRSEEHV-ZACQAIPSSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCF)C[C@H]1C ZINC001103099461 778638263 /nfs/dbraw/zinc/63/82/63/778638263.db2.gz MLUQDYQYRSEEHV-ZACQAIPSSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCF)C[C@H]1C ZINC001103099461 778638268 /nfs/dbraw/zinc/63/82/68/778638268.db2.gz MLUQDYQYRSEEHV-ZACQAIPSSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103592 778639951 /nfs/dbraw/zinc/63/99/51/778639951.db2.gz OTOSGVKQBQHWFM-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103592 778639959 /nfs/dbraw/zinc/63/99/59/778639959.db2.gz OTOSGVKQBQHWFM-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103592 778639964 /nfs/dbraw/zinc/63/99/64/778639964.db2.gz OTOSGVKQBQHWFM-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497673 778901727 /nfs/dbraw/zinc/90/17/27/778901727.db2.gz SBOSQCUZZOYFDK-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC001103752592 779030079 /nfs/dbraw/zinc/03/00/79/779030079.db2.gz OFIKDVGYTUITTP-NVXWUHKLSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546398 780227532 /nfs/dbraw/zinc/22/75/32/780227532.db2.gz KKAFTMAYICFKJR-HZPDHXFCSA-N 2 1 321.465 1.444 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266321646 836117370 /nfs/dbraw/zinc/11/73/70/836117370.db2.gz SWPATSKMSUZRMH-CABCVRRESA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266321646 836117372 /nfs/dbraw/zinc/11/73/72/836117372.db2.gz SWPATSKMSUZRMH-CABCVRRESA-N 2 1 302.422 1.610 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001266338846 836139291 /nfs/dbraw/zinc/13/92/91/836139291.db2.gz DTZBQTJCKCSLLH-KRWDZBQOSA-N 2 1 317.408 1.319 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001266338846 836139298 /nfs/dbraw/zinc/13/92/98/836139298.db2.gz DTZBQTJCKCSLLH-KRWDZBQOSA-N 2 1 317.408 1.319 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266619853 836548559 /nfs/dbraw/zinc/54/85/59/836548559.db2.gz COKQNYJALXEIJH-ZQIUZPCESA-N 2 1 309.429 1.459 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001279222828 836566813 /nfs/dbraw/zinc/56/68/13/836566813.db2.gz WAJQVRKOPHPQBE-FJIDUMEYSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001279222828 836566825 /nfs/dbraw/zinc/56/68/25/836566825.db2.gz WAJQVRKOPHPQBE-FJIDUMEYSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001279222828 836566838 /nfs/dbraw/zinc/56/68/38/836566838.db2.gz WAJQVRKOPHPQBE-FJIDUMEYSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267531416 838259556 /nfs/dbraw/zinc/25/95/56/838259556.db2.gz RNAFBUBAEJBBNM-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267531416 838259562 /nfs/dbraw/zinc/25/95/62/838259562.db2.gz RNAFBUBAEJBBNM-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267531416 838259572 /nfs/dbraw/zinc/25/95/72/838259572.db2.gz RNAFBUBAEJBBNM-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267549477 838288184 /nfs/dbraw/zinc/28/81/84/838288184.db2.gz XICARSMZUSKDRF-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267549477 838288196 /nfs/dbraw/zinc/28/81/96/838288196.db2.gz XICARSMZUSKDRF-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267549477 838288207 /nfs/dbraw/zinc/28/82/07/838288207.db2.gz XICARSMZUSKDRF-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001267604443 838421518 /nfs/dbraw/zinc/42/15/18/838421518.db2.gz QLEVZCBTHXLIRN-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267776471 838951619 /nfs/dbraw/zinc/95/16/19/838951619.db2.gz AYZJFIGMUPRDIA-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267823310 839035315 /nfs/dbraw/zinc/03/53/15/839035315.db2.gz GEUHNSDTTRYIBH-OAHLLOKOSA-N 2 1 311.389 1.389 20 30 DDEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268110534 839700248 /nfs/dbraw/zinc/70/02/48/839700248.db2.gz GNZUOHRXAQGMBS-HOTGVXAUSA-N 2 1 316.449 1.508 20 30 DDEDMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268250659 839896184 /nfs/dbraw/zinc/89/61/84/839896184.db2.gz FQKUMKUAEDSAES-HNNXBMFYSA-N 2 1 302.422 1.167 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268250659 839896192 /nfs/dbraw/zinc/89/61/92/839896192.db2.gz FQKUMKUAEDSAES-HNNXBMFYSA-N 2 1 302.422 1.167 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1 ZINC001268372773 840076137 /nfs/dbraw/zinc/07/61/37/840076137.db2.gz HWQOTYMMBUVJEO-WMZOPIPTSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1 ZINC001268372773 840076145 /nfs/dbraw/zinc/07/61/45/840076145.db2.gz HWQOTYMMBUVJEO-WMZOPIPTSA-N 2 1 313.445 1.769 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268797491 840825087 /nfs/dbraw/zinc/82/50/87/840825087.db2.gz PVHXQZUOEKYMIX-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001269203758 841338206 /nfs/dbraw/zinc/33/82/06/841338206.db2.gz YWKBTTGUYPIILW-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269203758 841338218 /nfs/dbraw/zinc/33/82/18/841338218.db2.gz YWKBTTGUYPIILW-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269203758 841338233 /nfs/dbraw/zinc/33/82/33/841338233.db2.gz YWKBTTGUYPIILW-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001269203758 841338253 /nfs/dbraw/zinc/33/82/53/841338253.db2.gz YWKBTTGUYPIILW-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cncs1 ZINC001270997003 843119624 /nfs/dbraw/zinc/11/96/24/843119624.db2.gz ZCBRHTRJNFGRAT-HIFRSBDPSA-N 2 1 320.462 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cncs1 ZINC001270997003 843119627 /nfs/dbraw/zinc/11/96/27/843119627.db2.gz ZCBRHTRJNFGRAT-HIFRSBDPSA-N 2 1 320.462 1.177 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001328808479 863245647 /nfs/dbraw/zinc/24/56/47/863245647.db2.gz PIWGHUKGWMJAQK-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001154875586 861531485 /nfs/dbraw/zinc/53/14/85/861531485.db2.gz CSHSRYGGKJFOIH-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154875586 861531498 /nfs/dbraw/zinc/53/14/98/861531498.db2.gz CSHSRYGGKJFOIH-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001272688630 846624293 /nfs/dbraw/zinc/62/42/93/846624293.db2.gz OSIZRXUBIHCBLX-YOEHRIQHSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000996934534 846888985 /nfs/dbraw/zinc/88/89/85/846888985.db2.gz LTJFTTLZDSPIEB-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997078063 847291809 /nfs/dbraw/zinc/29/18/09/847291809.db2.gz DFQBLQMRKLJKEH-NVXWUHKLSA-N 2 1 305.466 1.709 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC#CCOC ZINC001273010368 847776703 /nfs/dbraw/zinc/77/67/03/847776703.db2.gz JOPIJRGZNUWMNT-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C=CCN1CC[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273100735 847910014 /nfs/dbraw/zinc/91/00/14/847910014.db2.gz CWADDDWWJHUNHG-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145024 848569550 /nfs/dbraw/zinc/56/95/50/848569550.db2.gz UJZYEFNAEDQOGJ-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273145024 848569558 /nfs/dbraw/zinc/56/95/58/848569558.db2.gz UJZYEFNAEDQOGJ-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273145024 848569563 /nfs/dbraw/zinc/56/95/63/848569563.db2.gz UJZYEFNAEDQOGJ-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001327257138 862002374 /nfs/dbraw/zinc/00/23/74/862002374.db2.gz CIGHOCGJHNHQGZ-KRWDZBQOSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001327257138 862002386 /nfs/dbraw/zinc/00/23/86/862002386.db2.gz CIGHOCGJHNHQGZ-KRWDZBQOSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001327257138 862002399 /nfs/dbraw/zinc/00/23/99/862002399.db2.gz CIGHOCGJHNHQGZ-KRWDZBQOSA-N 2 1 311.445 1.612 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150385456 862213770 /nfs/dbraw/zinc/21/37/70/862213770.db2.gz AZADUVAQRXPCEI-HNNXBMFYSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150385456 862213786 /nfs/dbraw/zinc/21/37/86/862213786.db2.gz AZADUVAQRXPCEI-HNNXBMFYSA-N 2 1 320.437 1.400 20 30 DDEDMP C[NH+](C)CCC[NH+]1CCC2(C[C@@H]2C(=O)NCCCC#N)CC1 ZINC001273712106 851257555 /nfs/dbraw/zinc/25/75/55/851257555.db2.gz PBZTUHKCPDJERC-OAHLLOKOSA-N 2 1 306.454 1.460 20 30 DDEDMP C=CC[NH2+]C1(CC)CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001273769769 851322261 /nfs/dbraw/zinc/32/22/61/851322261.db2.gz KDZIDNDWSKHMHU-UHFFFAOYSA-N 2 1 320.437 1.897 20 30 DDEDMP C[NH+](C)CCN1CCC12C[NH+](Cc1c[nH]c3ccc(C#N)cc13)C2 ZINC001275949890 854004025 /nfs/dbraw/zinc/00/40/25/854004025.db2.gz NEEFDMIPKCQJKX-UHFFFAOYSA-N 2 1 323.444 1.861 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001006430972 855402053 /nfs/dbraw/zinc/40/20/53/855402053.db2.gz IMMWIRIAAHCJPQ-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006430972 855402059 /nfs/dbraw/zinc/40/20/59/855402059.db2.gz IMMWIRIAAHCJPQ-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812155 857738519 /nfs/dbraw/zinc/73/85/19/857738519.db2.gz UOBWFEHLBMSUPP-MRXNPFEDSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605126 858478550 /nfs/dbraw/zinc/47/85/50/858478550.db2.gz BGBGXHOPPFVTCG-IAGOWNOFSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001121767542 858591984 /nfs/dbraw/zinc/59/19/84/858591984.db2.gz GPMNKEMUUOCDGM-XOGYLQAWSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001121903504 858626839 /nfs/dbraw/zinc/62/68/39/858626839.db2.gz HQXOBISKFJBJTH-MRXNPFEDSA-N 2 1 313.445 1.758 20 30 DDEDMP C#CCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001276979822 881438760 /nfs/dbraw/zinc/43/87/60/881438760.db2.gz NWFBHBFVKRKTLU-CRAIPNDOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001203108469 860822936 /nfs/dbraw/zinc/82/29/36/860822936.db2.gz LYTYGARHWPEJJT-UHFFFAOYSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001329763922 863837385 /nfs/dbraw/zinc/83/73/85/863837385.db2.gz BJBMDOPAEUEDKY-DLBZAZTESA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153387455 863864278 /nfs/dbraw/zinc/86/42/78/863864278.db2.gz BNIOYBKBNORGIO-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153387455 863864294 /nfs/dbraw/zinc/86/42/94/863864294.db2.gz BNIOYBKBNORGIO-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153824039 864133554 /nfs/dbraw/zinc/13/35/54/864133554.db2.gz IIGZGOCFSYXFJB-CABCVRRESA-N 2 1 302.422 1.610 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153824039 864133557 /nfs/dbraw/zinc/13/35/57/864133557.db2.gz IIGZGOCFSYXFJB-CABCVRRESA-N 2 1 302.422 1.610 20 30 DDEDMP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330447979 864355591 /nfs/dbraw/zinc/35/55/91/864355591.db2.gz WFOREHXGUXGOQA-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330447978 864356921 /nfs/dbraw/zinc/35/69/21/864356921.db2.gz WFOREHXGUXGOQA-HOTGVXAUSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001330898595 864687822 /nfs/dbraw/zinc/68/78/22/864687822.db2.gz HMMPBEQLOIIRJS-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001160209815 865729965 /nfs/dbraw/zinc/72/99/65/865729965.db2.gz XLVQWISLRYSOCM-WMZOPIPTSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC001160209815 865729969 /nfs/dbraw/zinc/72/99/69/865729969.db2.gz XLVQWISLRYSOCM-WMZOPIPTSA-N 2 1 313.445 1.941 20 30 DDEDMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001319817916 866312659 /nfs/dbraw/zinc/31/26/59/866312659.db2.gz OSEMLXFDVCECCL-CVEARBPZSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001319885206 866365193 /nfs/dbraw/zinc/36/51/93/866365193.db2.gz IXOZAPQXEIHURY-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001333070092 866391475 /nfs/dbraw/zinc/39/14/75/866391475.db2.gz CBVCXQAQPIDHGY-FHERZECASA-N 2 1 316.449 1.999 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001320149741 866514375 /nfs/dbraw/zinc/51/43/75/866514375.db2.gz YELYMJMQUBMEPN-HIFRSBDPSA-N 2 1 320.437 1.800 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001324078347 867055148 /nfs/dbraw/zinc/05/51/48/867055148.db2.gz ZWRNQZOVSXFSLZ-ZIAGYGMSSA-N 2 1 320.437 1.895 20 30 DDEDMP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001324827744 867556447 /nfs/dbraw/zinc/55/64/47/867556447.db2.gz XGQDQGSLPXKGDV-KRWDZBQOSA-N 2 1 320.437 1.222 20 30 DDEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001322668675 868314597 /nfs/dbraw/zinc/31/45/97/868314597.db2.gz RUHSNZBPETUDSI-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP C=C(CC)CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335570109 868391263 /nfs/dbraw/zinc/39/12/63/868391263.db2.gz MTVOHOGQLORPIM-IYBDPMFKSA-N 2 1 306.454 1.563 20 30 DDEDMP C#CCNC(=O)CC[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC001336740716 869118340 /nfs/dbraw/zinc/11/83/40/869118340.db2.gz YVCHPFFALVDMKW-UHFFFAOYSA-N 2 1 301.434 1.756 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001165333593 869523274 /nfs/dbraw/zinc/52/32/74/869523274.db2.gz QGYKDKNUQWBUDR-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814978 870270321 /nfs/dbraw/zinc/27/03/21/870270321.db2.gz WPXISEILMNNZGY-MRXNPFEDSA-N 2 1 323.481 1.548 20 30 DDEDMP C#CC[NH2+]CC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001340057011 870867523 /nfs/dbraw/zinc/86/75/23/870867523.db2.gz RTPORKAHLBWSOP-SJLPKXTDSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001317176203 870946878 /nfs/dbraw/zinc/94/68/78/870946878.db2.gz LDOXNNBMCLJAOW-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001317188221 870955537 /nfs/dbraw/zinc/95/55/37/870955537.db2.gz DAHFWWOMDMKWRS-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCF ZINC001317188221 870955541 /nfs/dbraw/zinc/95/55/41/870955541.db2.gz DAHFWWOMDMKWRS-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1scnc1C ZINC001317597235 871168202 /nfs/dbraw/zinc/16/82/02/871168202.db2.gz TUHNHLUJRRHODK-AWEZNQCLSA-N 2 1 320.462 1.097 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1scnc1C ZINC001317597235 871168215 /nfs/dbraw/zinc/16/82/15/871168215.db2.gz TUHNHLUJRRHODK-AWEZNQCLSA-N 2 1 320.462 1.097 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001205339694 871503030 /nfs/dbraw/zinc/50/30/30/871503030.db2.gz KDFBKEFMGCFDHN-HNNXBMFYSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317810892 871537690 /nfs/dbraw/zinc/53/76/90/871537690.db2.gz GXRPTUGJOYXXOZ-KRWDZBQOSA-N 2 1 305.466 1.714 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC1CC[NH+](CC#CCOC)CC1 ZINC001319039673 872408815 /nfs/dbraw/zinc/40/88/15/872408815.db2.gz KUVUKJBRNGMNKU-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001316951155 872454405 /nfs/dbraw/zinc/45/44/05/872454405.db2.gz YXPSYKXESYXILM-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207001185 872910451 /nfs/dbraw/zinc/91/04/51/872910451.db2.gz SGWWUESCRWNTNO-RBSFLKMASA-N 2 1 302.422 1.466 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207001185 872910467 /nfs/dbraw/zinc/91/04/67/872910467.db2.gz SGWWUESCRWNTNO-RBSFLKMASA-N 2 1 302.422 1.466 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001207858909 873617937 /nfs/dbraw/zinc/61/79/37/873617937.db2.gz BVTMQVGHBWAEAC-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334733 874023060 /nfs/dbraw/zinc/02/30/60/874023060.db2.gz LIWZWVSUZZLZQI-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCC)C1 ZINC001208356456 874053192 /nfs/dbraw/zinc/05/31/92/874053192.db2.gz RGHRRQFABNNVLZ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCC)C1 ZINC001208356456 874053207 /nfs/dbraw/zinc/05/32/07/874053207.db2.gz RGHRRQFABNNVLZ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C[N@@H+](CCCc1cccc(C#N)c1)CCN1CC[NH+](C)CC1 ZINC001208850903 874484232 /nfs/dbraw/zinc/48/42/32/874484232.db2.gz NKKYCKAJCNFPPF-UHFFFAOYSA-N 2 1 300.450 1.670 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209499272 874922634 /nfs/dbraw/zinc/92/26/34/874922634.db2.gz TXTASSLNMQGHQU-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209499272 874922647 /nfs/dbraw/zinc/92/26/47/874922647.db2.gz TXTASSLNMQGHQU-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378852205 875773282 /nfs/dbraw/zinc/77/32/82/875773282.db2.gz KQUWXZXZWIKGSB-YOEHRIQHSA-N 2 1 314.433 1.446 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890368 876495677 /nfs/dbraw/zinc/49/56/77/876495677.db2.gz WVKUTUISHTUTJO-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219055022 877893784 /nfs/dbraw/zinc/89/37/84/877893784.db2.gz SEOOLMQSMNFMGV-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055022 877893798 /nfs/dbraw/zinc/89/37/98/877893798.db2.gz SEOOLMQSMNFMGV-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055022 877893817 /nfs/dbraw/zinc/89/38/17/877893817.db2.gz SEOOLMQSMNFMGV-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001357599736 880079566 /nfs/dbraw/zinc/07/95/66/880079566.db2.gz FUZNWMGLPRWADD-AWEZNQCLSA-N 2 1 305.426 1.189 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016356 880185599 /nfs/dbraw/zinc/18/55/99/880185599.db2.gz DQJJFUXVQGMYGD-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953098 883252890 /nfs/dbraw/zinc/25/28/90/883252890.db2.gz AQSFVVYPLNFDFZ-ZMSDIMECSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953098 883252907 /nfs/dbraw/zinc/25/29/07/883252907.db2.gz AQSFVVYPLNFDFZ-ZMSDIMECSA-N 2 1 323.481 1.641 20 30 DDEDMP COCC#CC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230334388 884434235 /nfs/dbraw/zinc/43/42/35/884434235.db2.gz USPLSFKGCQXTPT-IYBDPMFKSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234401064 887939319 /nfs/dbraw/zinc/93/93/19/887939319.db2.gz ANIMUYYWTJEUFH-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234401064 887939336 /nfs/dbraw/zinc/93/93/36/887939336.db2.gz ANIMUYYWTJEUFH-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001277865810 888104676 /nfs/dbraw/zinc/10/46/76/888104676.db2.gz JCSDEFHGJJUBPP-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235339787 888568603 /nfs/dbraw/zinc/56/86/03/888568603.db2.gz YRIZQXFUKHAEBD-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339787 888568612 /nfs/dbraw/zinc/56/86/12/888568612.db2.gz YRIZQXFUKHAEBD-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339787 888568621 /nfs/dbraw/zinc/56/86/21/888568621.db2.gz YRIZQXFUKHAEBD-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP N#CCCC[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001277945243 888643011 /nfs/dbraw/zinc/64/30/11/888643011.db2.gz SJOIJRZGEGKDIT-CALCHBBNSA-N 2 1 301.438 1.831 20 30 DDEDMP N#CCCC[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001277945243 888643017 /nfs/dbraw/zinc/64/30/17/888643017.db2.gz SJOIJRZGEGKDIT-CALCHBBNSA-N 2 1 301.438 1.831 20 30 DDEDMP N#CCCC[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001277945243 888643021 /nfs/dbraw/zinc/64/30/21/888643021.db2.gz SJOIJRZGEGKDIT-CALCHBBNSA-N 3 1 301.438 1.831 20 30 DDEDMP COCC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001280884332 889588260 /nfs/dbraw/zinc/58/82/60/889588260.db2.gz ZSDWUJYILHUSCT-CALCHBBNSA-N 2 1 323.481 1.289 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@@H]2C[NH2+]CCN2)CC1 ZINC001246490845 892654687 /nfs/dbraw/zinc/65/46/87/892654687.db2.gz QTVQHWQARFMLMY-ADKAHSJRSA-N 2 1 316.424 1.681 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CCN3CCOCC3)CCC[C@H]12 ZINC001278466800 892911807 /nfs/dbraw/zinc/91/18/07/892911807.db2.gz LDPGFLOQMVQPLK-FUHWJXTLSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001278466800 892911816 /nfs/dbraw/zinc/91/18/16/892911816.db2.gz LDPGFLOQMVQPLK-FUHWJXTLSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001278466800 892911826 /nfs/dbraw/zinc/91/18/26/892911826.db2.gz LDPGFLOQMVQPLK-FUHWJXTLSA-N 2 1 321.465 1.398 20 30 DDEDMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001366452305 893606929 /nfs/dbraw/zinc/60/69/29/893606929.db2.gz MUDMEZLJSKXKSD-PBHICJAKSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)Cn1c[nH+]cc1C)Cc1ccccc1 ZINC001278532355 894112371 /nfs/dbraw/zinc/11/23/71/894112371.db2.gz CDFYQRWVRVRIMN-GOSISDBHSA-N 2 1 324.428 1.532 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001251907224 894882702 /nfs/dbraw/zinc/88/27/02/894882702.db2.gz WQRWNACAGXRFDI-BHIYHBOVSA-N 2 1 316.445 1.497 20 30 DDEDMP CC[C@@H](CC#N)[N@@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001255168635 896767187 /nfs/dbraw/zinc/76/71/87/896767187.db2.gz UJNWWLRDQGSRIK-INIZCTEOSA-N 2 1 316.449 1.503 20 30 DDEDMP CC[C@@H](CC#N)[N@H+]1CCc2ccc(=O)n(CC[NH+](C)C)c2CC1 ZINC001255168635 896767195 /nfs/dbraw/zinc/76/71/95/896767195.db2.gz UJNWWLRDQGSRIK-INIZCTEOSA-N 2 1 316.449 1.503 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367772827 897736747 /nfs/dbraw/zinc/73/67/47/897736747.db2.gz VFGGAKNJZJJXAP-NWDGAFQWSA-N 2 1 306.435 1.166 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H](C)CCC(=O)OC)CC1 ZINC001258380103 898174598 /nfs/dbraw/zinc/17/45/98/898174598.db2.gz VTQMPASRVICREE-QGZVFWFLSA-N 2 1 323.481 1.620 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001263190736 900526732 /nfs/dbraw/zinc/52/67/32/900526732.db2.gz PLEIAIITXRQFPT-IXDOHACOSA-N 3 1 320.481 1.097 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001263190736 900526743 /nfs/dbraw/zinc/52/67/43/900526743.db2.gz PLEIAIITXRQFPT-IXDOHACOSA-N 2 1 320.481 1.097 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccnc(NCC)c2)C1 ZINC001263747625 900691492 /nfs/dbraw/zinc/69/14/92/900691492.db2.gz WBUSRKXEIZBPHX-OAHLLOKOSA-N 2 1 315.421 1.410 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccnc(NCC)c2)C1 ZINC001263747625 900691499 /nfs/dbraw/zinc/69/14/99/900691499.db2.gz WBUSRKXEIZBPHX-OAHLLOKOSA-N 2 1 315.421 1.410 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264125679 900961862 /nfs/dbraw/zinc/96/18/62/900961862.db2.gz OSSTXQJMWOMNQE-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001264521255 901167046 /nfs/dbraw/zinc/16/70/46/901167046.db2.gz XDIVYAYQLCVWBK-RDJZCZTQSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001264645930 901247255 /nfs/dbraw/zinc/24/72/55/901247255.db2.gz XQJFRQAYGZTCRP-OWCLPIDISA-N 2 1 309.429 1.080 20 30 DDEDMP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265027248 901455446 /nfs/dbraw/zinc/45/54/46/901455446.db2.gz KDPQMKGRPJQDAP-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265027248 901455452 /nfs/dbraw/zinc/45/54/52/901455452.db2.gz KDPQMKGRPJQDAP-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265914161 902588251 /nfs/dbraw/zinc/58/82/51/902588251.db2.gz FMJHWBALIPELKW-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391960625 902990018 /nfs/dbraw/zinc/99/00/18/902990018.db2.gz LDSXQDWONAPGIV-YOEHRIQHSA-N 2 1 314.433 1.352 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266206895 903108983 /nfs/dbraw/zinc/10/89/83/903108983.db2.gz BSCQMVKGVTUNIU-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266206895 903108994 /nfs/dbraw/zinc/10/89/94/903108994.db2.gz BSCQMVKGVTUNIU-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266206895 903108998 /nfs/dbraw/zinc/10/89/98/903108998.db2.gz BSCQMVKGVTUNIU-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266206895 903109007 /nfs/dbraw/zinc/10/90/07/903109007.db2.gz BSCQMVKGVTUNIU-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001392331615 903915280 /nfs/dbraw/zinc/91/52/80/903915280.db2.gz DKBJLICHDSSINR-UHFFFAOYSA-N 2 1 316.449 1.789 20 30 DDEDMP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC001392331615 903915285 /nfs/dbraw/zinc/91/52/85/903915285.db2.gz DKBJLICHDSSINR-UHFFFAOYSA-N 2 1 316.449 1.789 20 30 DDEDMP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001392331615 903915294 /nfs/dbraw/zinc/91/52/94/903915294.db2.gz DKBJLICHDSSINR-UHFFFAOYSA-N 2 1 316.449 1.789 20 30 DDEDMP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392512105 904318545 /nfs/dbraw/zinc/31/85/45/904318545.db2.gz NZPHJRSKKMQSTJ-CMPLNLGQSA-N 2 1 318.259 1.331 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001281193337 904549143 /nfs/dbraw/zinc/54/91/43/904549143.db2.gz RNXAOJOJHTVYEB-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[NH+]1C ZINC001392679540 904863933 /nfs/dbraw/zinc/86/39/33/904863933.db2.gz WMTHEGGPXXXUJN-IUODEOHRSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[NH+]1C ZINC001392679540 904863958 /nfs/dbraw/zinc/86/39/58/904863958.db2.gz WMTHEGGPXXXUJN-IUODEOHRSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392679540 904863974 /nfs/dbraw/zinc/86/39/74/904863974.db2.gz WMTHEGGPXXXUJN-IUODEOHRSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392679540 904863993 /nfs/dbraw/zinc/86/39/93/904863993.db2.gz WMTHEGGPXXXUJN-IUODEOHRSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001371419050 904938387 /nfs/dbraw/zinc/93/83/87/904938387.db2.gz AATKQGMESKWOPT-LSDHHAIUSA-N 2 1 314.433 1.494 20 30 DDEDMP COCC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282663865 905930727 /nfs/dbraw/zinc/93/07/27/905930727.db2.gz YEKFGXIMRCVUDW-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001282663865 905930738 /nfs/dbraw/zinc/93/07/38/905930738.db2.gz YEKFGXIMRCVUDW-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001282663865 905930750 /nfs/dbraw/zinc/93/07/50/905930750.db2.gz YEKFGXIMRCVUDW-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001284100136 908474023 /nfs/dbraw/zinc/47/40/23/908474023.db2.gz DIHKMANJLGTZTO-GVDBMIGSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001394322304 909337849 /nfs/dbraw/zinc/33/78/49/909337849.db2.gz CSNNJAGTQGDPLS-KGLIPLIRSA-N 2 1 317.861 1.286 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC000424144312 529890879 /nfs/dbraw/zinc/89/08/79/529890879.db2.gz XEHVLKCUBBEVRL-INIZCTEOSA-N 2 1 302.422 1.646 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000068081088 353086491 /nfs/dbraw/zinc/08/64/91/353086491.db2.gz UXSZBPLPWWZDCX-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000068085291 353086868 /nfs/dbraw/zinc/08/68/68/353086868.db2.gz YOOGTCPKMFFYRA-CALCHBBNSA-N 2 1 319.493 1.816 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081592133 353683758 /nfs/dbraw/zinc/68/37/58/353683758.db2.gz PFPWKPWYCAAUPC-JKSUJKDBSA-N 2 1 306.454 1.555 20 30 DDEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)CCC#N ZINC000185735043 354282241 /nfs/dbraw/zinc/28/22/41/354282241.db2.gz ACNIMEUWRCXKFE-HRCADAONSA-N 2 1 320.481 1.990 20 30 DDEDMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)CCC#N ZINC000185735043 354282244 /nfs/dbraw/zinc/28/22/44/354282244.db2.gz ACNIMEUWRCXKFE-HRCADAONSA-N 2 1 320.481 1.990 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591733885 355373677 /nfs/dbraw/zinc/37/36/77/355373677.db2.gz ISHFMQNOCGITGF-QGZVFWFLSA-N 2 1 315.417 1.538 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492613 355599227 /nfs/dbraw/zinc/59/92/27/355599227.db2.gz BSLDDQFHRAJIKA-SOUVJXGZSA-N 2 1 322.453 1.098 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cscc1C#N ZINC000597941833 357391835 /nfs/dbraw/zinc/39/18/35/357391835.db2.gz DKWLCSMSGSULSS-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cscc1C#N ZINC000597941833 357391837 /nfs/dbraw/zinc/39/18/37/357391837.db2.gz DKWLCSMSGSULSS-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598620980 357657382 /nfs/dbraw/zinc/65/73/82/357657382.db2.gz QOQIYVXNPWQPHP-OAHLLOKOSA-N 2 1 311.470 1.360 20 30 DDEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1C ZINC000599313697 357888859 /nfs/dbraw/zinc/88/88/59/357888859.db2.gz FOUGXQVCAGEHAL-IXDOHACOSA-N 2 1 323.481 1.862 20 30 DDEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1C ZINC000599313697 357888864 /nfs/dbraw/zinc/88/88/64/357888864.db2.gz FOUGXQVCAGEHAL-IXDOHACOSA-N 2 1 323.481 1.862 20 30 DDEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1C ZINC000599313697 357888870 /nfs/dbraw/zinc/88/88/70/357888870.db2.gz FOUGXQVCAGEHAL-IXDOHACOSA-N 2 1 323.481 1.862 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599335806 357899051 /nfs/dbraw/zinc/89/90/51/357899051.db2.gz YBIHIVGHQPIQRU-MRXNPFEDSA-N 2 1 320.437 1.585 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599335806 357899052 /nfs/dbraw/zinc/89/90/52/357899052.db2.gz YBIHIVGHQPIQRU-MRXNPFEDSA-N 2 1 320.437 1.585 20 30 DDEDMP N#CC1(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)CCCC1 ZINC000600969578 358362608 /nfs/dbraw/zinc/36/26/08/358362608.db2.gz IOVFVZUYWPTOEF-UHFFFAOYSA-N 2 1 302.426 1.328 20 30 DDEDMP O=C(C[N@@H+]1CC[C@@H](Oc2ccncc2)C1)NC1CCOCC1 ZINC000330282361 223098675 /nfs/dbraw/zinc/09/86/75/223098675.db2.gz VHWUECNRVIFGFE-OAHLLOKOSA-N 2 1 305.378 1.670 20 30 DDEDMP O=C(C[N@H+]1CC[C@@H](Oc2ccncc2)C1)NC1CCOCC1 ZINC000330282361 223098677 /nfs/dbraw/zinc/09/86/77/223098677.db2.gz VHWUECNRVIFGFE-OAHLLOKOSA-N 2 1 305.378 1.670 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120450068 781951239 /nfs/dbraw/zinc/95/12/39/781951239.db2.gz SBLQWQQAUREJKE-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C[C@@H]1C[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344157659 223331608 /nfs/dbraw/zinc/33/16/08/223331608.db2.gz WCPQLZYPXYKWOE-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1C[C@H](CO)CC[N@H+]1CC#CC[NH+]1CC[C@@H](CO)C[C@@H]1C ZINC000344157659 223331611 /nfs/dbraw/zinc/33/16/11/223331611.db2.gz WCPQLZYPXYKWOE-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC#CC[NH+]1CC[C@@H](CO)C[C@@H]1C ZINC000344157659 223331614 /nfs/dbraw/zinc/33/16/14/223331614.db2.gz WCPQLZYPXYKWOE-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000171729484 407751543 /nfs/dbraw/zinc/75/15/43/407751543.db2.gz NCLRTQZYWXFHDM-CQSZACIVSA-N 2 1 319.453 1.777 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1cccs1 ZINC000267430296 407843851 /nfs/dbraw/zinc/84/38/51/407843851.db2.gz MIZLIIDDWWXKHU-DOMZBBRYSA-N 2 1 310.467 1.344 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(F)cc1 ZINC000278263168 409077765 /nfs/dbraw/zinc/07/77/65/409077765.db2.gz NSSWMDGEOUYQRM-LSDHHAIUSA-N 2 1 308.401 1.248 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000293941165 409211241 /nfs/dbraw/zinc/21/12/41/409211241.db2.gz IYVJDVCRLCEEBH-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000293941165 409211244 /nfs/dbraw/zinc/21/12/44/409211244.db2.gz IYVJDVCRLCEEBH-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000293941165 409211247 /nfs/dbraw/zinc/21/12/47/409211247.db2.gz IYVJDVCRLCEEBH-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)C(C)C ZINC000285040852 409392846 /nfs/dbraw/zinc/39/28/46/409392846.db2.gz WDBWNKHURXDOLE-PMPSAXMXSA-N 2 1 309.454 1.178 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000328257432 409929464 /nfs/dbraw/zinc/92/94/64/409929464.db2.gz KPDINAMYLHCTTI-INIZCTEOSA-N 2 1 306.406 1.282 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)c1cc(OC)ccc1OC ZINC000328257432 409929471 /nfs/dbraw/zinc/92/94/71/409929471.db2.gz KPDINAMYLHCTTI-INIZCTEOSA-N 2 1 306.406 1.282 20 30 DDEDMP Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329267639 410202652 /nfs/dbraw/zinc/20/26/52/410202652.db2.gz GCDIXHHZSQLEBL-VNQPRFMTSA-N 2 1 319.453 1.768 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329267639 410202656 /nfs/dbraw/zinc/20/26/56/410202656.db2.gz GCDIXHHZSQLEBL-VNQPRFMTSA-N 2 1 319.453 1.768 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000650077414 423039255 /nfs/dbraw/zinc/03/92/55/423039255.db2.gz AGFWHUULXLJRQR-KSZLIROESA-N 2 1 304.434 1.803 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000650077414 423039260 /nfs/dbraw/zinc/03/92/60/423039260.db2.gz AGFWHUULXLJRQR-KSZLIROESA-N 2 1 304.434 1.803 20 30 DDEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261942715 222262447 /nfs/dbraw/zinc/26/24/47/222262447.db2.gz DXWMIXMEFYUTSH-JYJNAYRXSA-N 2 1 320.485 1.682 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc2ccccc2[nH]1 ZINC000264132026 222324021 /nfs/dbraw/zinc/32/40/21/222324021.db2.gz UGNXMCZUGNTFMP-ZDUSSCGKSA-N 2 1 314.437 1.494 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000367508680 418606654 /nfs/dbraw/zinc/60/66/54/418606654.db2.gz BAWDHUQLWXMAKQ-OWCLPIDISA-N 2 1 304.438 1.165 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367508680 418606657 /nfs/dbraw/zinc/60/66/57/418606657.db2.gz BAWDHUQLWXMAKQ-OWCLPIDISA-N 2 1 304.438 1.165 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000367508680 418606658 /nfs/dbraw/zinc/60/66/58/418606658.db2.gz BAWDHUQLWXMAKQ-OWCLPIDISA-N 2 1 304.438 1.165 20 30 DDEDMP COc1ccccc1[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCCC1 ZINC000262683717 222290207 /nfs/dbraw/zinc/29/02/07/222290207.db2.gz XMWMEJQWBZQUEG-DZGCQCFKSA-N 2 1 302.422 1.769 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000361813427 418713815 /nfs/dbraw/zinc/71/38/15/418713815.db2.gz MBSWJWWNTDDSLQ-IAGOWNOFSA-N 2 1 316.449 1.557 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000377894381 418717033 /nfs/dbraw/zinc/71/70/33/418717033.db2.gz AKHXMBYJYRIYPP-CQSZACIVSA-N 2 1 302.422 1.521 20 30 DDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758323 418758475 /nfs/dbraw/zinc/75/84/75/418758475.db2.gz VWHFDVSHEHKZEW-FUHWJXTLSA-N 2 1 315.417 1.326 20 30 DDEDMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758323 418758477 /nfs/dbraw/zinc/75/84/77/418758477.db2.gz VWHFDVSHEHKZEW-FUHWJXTLSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758323 418758479 /nfs/dbraw/zinc/75/84/79/418758479.db2.gz VWHFDVSHEHKZEW-FUHWJXTLSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758323 418758481 /nfs/dbraw/zinc/75/84/81/418758481.db2.gz VWHFDVSHEHKZEW-FUHWJXTLSA-N 2 1 315.417 1.326 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000365630114 418884529 /nfs/dbraw/zinc/88/45/29/418884529.db2.gz JUWKKHQGFSJNCN-ALOPSCKCSA-N 2 1 303.450 1.463 20 30 DDEDMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424136229 228233837 /nfs/dbraw/zinc/23/38/37/228233837.db2.gz QODMXIVXCHFXEH-QLFBSQMISA-N 2 1 310.442 1.013 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423552605 420079878 /nfs/dbraw/zinc/07/98/78/420079878.db2.gz GQJXJYCVJQWPKZ-SFHVURJKSA-N 2 1 314.433 1.101 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000491778124 421203673 /nfs/dbraw/zinc/20/36/73/421203673.db2.gz HRAIVCCZPQFWHR-INIZCTEOSA-N 2 1 306.454 1.211 20 30 DDEDMP CC[C@@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640035522 424101014 /nfs/dbraw/zinc/10/10/14/424101014.db2.gz KSHYINWLWWQVCJ-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP CC[C@@]1(O)CCC[N@@H+](CC#CC[NH+]2CCC[C@@](O)(CC)C2)C1 ZINC000640035522 424101022 /nfs/dbraw/zinc/10/10/22/424101022.db2.gz KSHYINWLWWQVCJ-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP CC[C@@]1(O)CCC[N@H+](CC#CC[NH+]2CCC[C@@](O)(CC)C2)C1 ZINC000640035522 424101029 /nfs/dbraw/zinc/10/10/29/424101029.db2.gz KSHYINWLWWQVCJ-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338363 424580034 /nfs/dbraw/zinc/58/00/34/424580034.db2.gz QZZXHYWJKNZRPW-OAHLLOKOSA-N 2 1 303.454 1.965 20 30 DDEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000162710639 298201340 /nfs/dbraw/zinc/20/13/40/298201340.db2.gz JRTBWNQKQYQWEE-UHFFFAOYSA-N 2 1 315.425 1.713 20 30 DDEDMP Cc1[nH+]ccn1CCCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000162710639 298201343 /nfs/dbraw/zinc/20/13/43/298201343.db2.gz JRTBWNQKQYQWEE-UHFFFAOYSA-N 2 1 315.425 1.713 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N1CCOCC1 ZINC000262536026 303219448 /nfs/dbraw/zinc/21/94/48/303219448.db2.gz PUOZCMPAFATQCZ-INIZCTEOSA-N 2 1 308.470 1.678 20 30 DDEDMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000569468154 308144714 /nfs/dbraw/zinc/14/47/14/308144714.db2.gz ANRALZNNOHFQHV-MRXNPFEDSA-N 2 1 311.389 1.773 20 30 DDEDMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000569468154 308144715 /nfs/dbraw/zinc/14/47/15/308144715.db2.gz ANRALZNNOHFQHV-MRXNPFEDSA-N 2 1 311.389 1.773 20 30 DDEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N)C[C@@H](C)O1 ZINC000424144388 534436634 /nfs/dbraw/zinc/43/66/34/534436634.db2.gz XKIFCONSNDUZJV-MGPQQGTHSA-N 2 1 310.442 1.012 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000341663903 526596237 /nfs/dbraw/zinc/59/62/37/526596237.db2.gz IORRMIXQJCUWII-PBHICJAKSA-N 2 1 320.481 1.809 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000491637648 526813166 /nfs/dbraw/zinc/81/31/66/526813166.db2.gz WIADQVDTPHEDFZ-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000491637648 526813172 /nfs/dbraw/zinc/81/31/72/526813172.db2.gz WIADQVDTPHEDFZ-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000491637648 526813180 /nfs/dbraw/zinc/81/31/80/526813180.db2.gz WIADQVDTPHEDFZ-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000491789705 526816680 /nfs/dbraw/zinc/81/66/80/526816680.db2.gz ZVNMCEKTFDIXPU-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000491789705 526816682 /nfs/dbraw/zinc/81/66/82/526816682.db2.gz ZVNMCEKTFDIXPU-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000491789705 526816686 /nfs/dbraw/zinc/81/66/86/526816686.db2.gz ZVNMCEKTFDIXPU-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330220800 529003055 /nfs/dbraw/zinc/00/30/55/529003055.db2.gz LBXXTHSBKNMYRK-OAHLLOKOSA-N 2 1 309.454 1.805 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978145371 696330735 /nfs/dbraw/zinc/33/07/35/696330735.db2.gz LOWHMCUVYVZGFH-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978145371 696330736 /nfs/dbraw/zinc/33/07/36/696330736.db2.gz LOWHMCUVYVZGFH-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978145371 696330737 /nfs/dbraw/zinc/33/07/37/696330737.db2.gz LOWHMCUVYVZGFH-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978178510 696336309 /nfs/dbraw/zinc/33/63/09/696336309.db2.gz KFHMFFYWOOCPTP-NNPSNHGLSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978178510 696336312 /nfs/dbraw/zinc/33/63/12/696336312.db2.gz KFHMFFYWOOCPTP-NNPSNHGLSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978178510 696336315 /nfs/dbraw/zinc/33/63/15/696336315.db2.gz KFHMFFYWOOCPTP-NNPSNHGLSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978638950 696430398 /nfs/dbraw/zinc/43/03/98/696430398.db2.gz ICNLXPKBQGOYNZ-PHZGNYQRSA-N 2 1 317.433 1.825 20 30 DDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131071 696551648 /nfs/dbraw/zinc/55/16/48/696551648.db2.gz MHIUQZZWKTYLKA-LLVKDONJSA-N 2 1 318.450 1.298 20 30 DDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131071 696551649 /nfs/dbraw/zinc/55/16/49/696551649.db2.gz MHIUQZZWKTYLKA-LLVKDONJSA-N 2 1 318.450 1.298 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138464 696689928 /nfs/dbraw/zinc/68/99/28/696689928.db2.gz CXXCVIGOPAFUDM-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138464 696689929 /nfs/dbraw/zinc/68/99/29/696689929.db2.gz CXXCVIGOPAFUDM-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980154144 696695174 /nfs/dbraw/zinc/69/51/74/696695174.db2.gz ZKBJJNWLEQVKNZ-JYJNAYRXSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980154144 696695175 /nfs/dbraw/zinc/69/51/75/696695175.db2.gz ZKBJJNWLEQVKNZ-JYJNAYRXSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981683571 696873255 /nfs/dbraw/zinc/87/32/55/696873255.db2.gz YPZXFYIHGBQLGX-UHFFFAOYSA-N 2 1 313.445 1.572 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000981683571 696873260 /nfs/dbraw/zinc/87/32/60/696873260.db2.gz YPZXFYIHGBQLGX-UHFFFAOYSA-N 2 1 313.445 1.572 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822122 696932153 /nfs/dbraw/zinc/93/21/53/696932153.db2.gz HHZNGOJPDUNIRY-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822122 696932155 /nfs/dbraw/zinc/93/21/55/696932155.db2.gz HHZNGOJPDUNIRY-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000981822122 696932158 /nfs/dbraw/zinc/93/21/58/696932158.db2.gz HHZNGOJPDUNIRY-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981366191 697076863 /nfs/dbraw/zinc/07/68/63/697076863.db2.gz XSINVRLLWOKECK-CABCVRRESA-N 2 1 302.422 1.657 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982737239 697174691 /nfs/dbraw/zinc/17/46/91/697174691.db2.gz YZXJSCROXCESFD-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982737239 697174693 /nfs/dbraw/zinc/17/46/93/697174693.db2.gz YZXJSCROXCESFD-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982737239 697174694 /nfs/dbraw/zinc/17/46/94/697174694.db2.gz YZXJSCROXCESFD-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000985430083 697509704 /nfs/dbraw/zinc/50/97/04/697509704.db2.gz VODOTGHCQUMLRW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000985430083 697509706 /nfs/dbraw/zinc/50/97/06/697509706.db2.gz VODOTGHCQUMLRW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000985430083 697509709 /nfs/dbraw/zinc/50/97/09/697509709.db2.gz VODOTGHCQUMLRW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000985519274 697524447 /nfs/dbraw/zinc/52/44/47/697524447.db2.gz SXWLMJHGXYQPHX-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985519274 697524449 /nfs/dbraw/zinc/52/44/49/697524449.db2.gz SXWLMJHGXYQPHX-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000985519274 697524452 /nfs/dbraw/zinc/52/44/52/697524452.db2.gz SXWLMJHGXYQPHX-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985652668 697550464 /nfs/dbraw/zinc/55/04/64/697550464.db2.gz GCCFNBHVTISAKX-HNNXBMFYSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985652668 697550466 /nfs/dbraw/zinc/55/04/66/697550466.db2.gz GCCFNBHVTISAKX-HNNXBMFYSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000987271717 698067053 /nfs/dbraw/zinc/06/70/53/698067053.db2.gz ZYOUEJUSIGEZHN-BBRMVZONSA-N 2 1 309.373 1.093 20 30 DDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC(C)C)CC1 ZINC000303902888 698610565 /nfs/dbraw/zinc/61/05/65/698610565.db2.gz UHAUPUQVEDDTQB-UHFFFAOYSA-N 2 1 317.481 1.637 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCC[C@H](C)C1 ZINC000303911519 698611124 /nfs/dbraw/zinc/61/11/24/698611124.db2.gz ZRCRITDBGOQSPS-IRXDYDNUSA-N 3 1 323.529 1.887 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000303911519 698611125 /nfs/dbraw/zinc/61/11/25/698611125.db2.gz ZRCRITDBGOQSPS-IRXDYDNUSA-N 3 1 323.529 1.887 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000303911519 698611126 /nfs/dbraw/zinc/61/11/26/698611126.db2.gz ZRCRITDBGOQSPS-IRXDYDNUSA-N 3 1 323.529 1.887 20 30 DDEDMP COCC[N@H+]1CCC[C@H]1C[NH+]=C(NCc1ccccc1)N(C)C ZINC000303976994 698611718 /nfs/dbraw/zinc/61/17/18/698611718.db2.gz KPXFOVZVWWJKFT-KRWDZBQOSA-N 2 1 318.465 1.805 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305818175 698657300 /nfs/dbraw/zinc/65/73/00/698657300.db2.gz NKNJZFUZASZSQJ-HNNXBMFYSA-N 3 1 309.502 1.497 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724023838 699323802 /nfs/dbraw/zinc/32/38/02/699323802.db2.gz OZMLNPUMYFVLRX-SNVBAGLBSA-N 2 1 302.287 1.480 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724023838 699323804 /nfs/dbraw/zinc/32/38/04/699323804.db2.gz OZMLNPUMYFVLRX-SNVBAGLBSA-N 2 1 302.287 1.480 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991859639 699425621 /nfs/dbraw/zinc/42/56/21/699425621.db2.gz JKOIQCZAFGXSSY-NVXWUHKLSA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991859639 699425624 /nfs/dbraw/zinc/42/56/24/699425624.db2.gz JKOIQCZAFGXSSY-NVXWUHKLSA-N 2 1 302.422 1.881 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NNC2=[NH+]CCN2)c1C ZINC000841660330 702522687 /nfs/dbraw/zinc/52/26/87/702522687.db2.gz XDESXFQYHBGPCG-MRXNPFEDSA-N 2 1 316.453 1.472 20 30 DDEDMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3sccc3C#N)CC[C@@H]21 ZINC000879569210 706720822 /nfs/dbraw/zinc/72/08/22/706720822.db2.gz LDIYHTBYTARPGH-KBPBESRZSA-N 2 1 318.446 1.974 20 30 DDEDMP CC(C)C[N@H+](CC(=O)NC1(C#N)CCC1)CC1CC[NH+](C)CC1 ZINC000879703326 706765004 /nfs/dbraw/zinc/76/50/04/706765004.db2.gz IHWFWBIRXIZVOI-UHFFFAOYSA-N 2 1 320.481 1.849 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000869801107 703855008 /nfs/dbraw/zinc/85/50/08/703855008.db2.gz OGQPXKXLQLTXJA-QAPCUYQASA-N 2 1 315.461 1.989 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000858492841 704718011 /nfs/dbraw/zinc/71/80/11/704718011.db2.gz DOJCIOZUHZQIEK-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858492841 704718012 /nfs/dbraw/zinc/71/80/12/704718012.db2.gz DOJCIOZUHZQIEK-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858492841 704718013 /nfs/dbraw/zinc/71/80/13/704718013.db2.gz DOJCIOZUHZQIEK-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000876890458 705911211 /nfs/dbraw/zinc/91/12/11/705911211.db2.gz ZOCVBYDMJIJCNO-ZDUSSCGKSA-N 2 1 317.861 1.273 20 30 DDEDMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000878427500 706384103 /nfs/dbraw/zinc/38/41/03/706384103.db2.gz MKOLCADNWZMWST-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C[NH+](C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1cccc(Cl)c1 ZINC000834484430 707066358 /nfs/dbraw/zinc/06/63/58/707066358.db2.gz ITVBNWANFMMSDC-UBHSHLNASA-N 2 1 306.797 1.170 20 30 DDEDMP C#CC[C@H](COC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872216595 707333355 /nfs/dbraw/zinc/33/33/55/707333355.db2.gz XZHHFRRWGKEPEG-QZTJIDSGSA-N 2 1 302.418 1.251 20 30 DDEDMP C#CC[C@H](COC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872216595 707333361 /nfs/dbraw/zinc/33/33/61/707333361.db2.gz XZHHFRRWGKEPEG-QZTJIDSGSA-N 2 1 302.418 1.251 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000836306007 707436381 /nfs/dbraw/zinc/43/63/81/707436381.db2.gz YHIJPQVPTOYOPI-KRWDZBQOSA-N 2 1 322.497 1.751 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000884396815 708279492 /nfs/dbraw/zinc/27/94/92/708279492.db2.gz NWJGEOMXNHJOHT-WZYMTQMTSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000884396815 708279494 /nfs/dbraw/zinc/27/94/94/708279494.db2.gz NWJGEOMXNHJOHT-WZYMTQMTSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000884396815 708279497 /nfs/dbraw/zinc/27/94/97/708279497.db2.gz NWJGEOMXNHJOHT-WZYMTQMTSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000884396815 708279499 /nfs/dbraw/zinc/27/94/99/708279499.db2.gz NWJGEOMXNHJOHT-WZYMTQMTSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000886575715 708779831 /nfs/dbraw/zinc/77/98/31/708779831.db2.gz HIZDTIDMLBWPIB-GOSISDBHSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000890368902 709842554 /nfs/dbraw/zinc/84/25/54/709842554.db2.gz NZKVKZPKMGDSFK-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000890368902 709842560 /nfs/dbraw/zinc/84/25/60/709842560.db2.gz NZKVKZPKMGDSFK-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP Cc1cc(NC[C@H]2CC[N@@H+]2C)c(C#N)c(NC[C@@H]2CC[NH+]2C)n1 ZINC000895769943 711601376 /nfs/dbraw/zinc/60/13/76/711601376.db2.gz WNOMWGKSCYMXQP-KGLIPLIRSA-N 2 1 314.437 1.494 20 30 DDEDMP Cc1cc(NC[C@H]2CC[NH+]2C)c(C#N)c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895769943 711601378 /nfs/dbraw/zinc/60/13/78/711601378.db2.gz WNOMWGKSCYMXQP-KGLIPLIRSA-N 2 1 314.437 1.494 20 30 DDEDMP Cc1cc(NC[C@H]2CC[NH+]2C)c(C#N)c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895769943 711601379 /nfs/dbraw/zinc/60/13/79/711601379.db2.gz WNOMWGKSCYMXQP-KGLIPLIRSA-N 2 1 314.437 1.494 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000913687496 713282122 /nfs/dbraw/zinc/28/21/22/713282122.db2.gz LKZNYODCKKJHNT-ROUUACIJSA-N 2 1 313.445 1.980 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000921407023 713759007 /nfs/dbraw/zinc/75/90/07/713759007.db2.gz SKJPNEWNTIRTPV-GDBMZVCRSA-N 2 1 306.454 1.066 20 30 DDEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921692764 713845721 /nfs/dbraw/zinc/84/57/21/713845721.db2.gz SZQBLASPLCFAEM-UHFFFAOYSA-N 2 1 306.479 1.983 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000966167744 717993093 /nfs/dbraw/zinc/99/30/93/717993093.db2.gz PQEGLHLNBMGREU-GDBMZVCRSA-N 2 1 319.453 1.071 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]([NH3+])C34CCC4)C2=O)cc1 ZINC000925631322 714903730 /nfs/dbraw/zinc/90/37/30/714903730.db2.gz HJMXMHSXJATICU-ULQDDVLXSA-N 2 1 324.428 1.913 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960148215 716431883 /nfs/dbraw/zinc/43/18/83/716431883.db2.gz JOLPEIBIYKULCH-WDNDVIMCSA-N 2 1 305.447 1.656 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798271 716964798 /nfs/dbraw/zinc/96/47/98/716964798.db2.gz FLCHZJIQOYDTCW-DLBZAZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840404 716984859 /nfs/dbraw/zinc/98/48/59/716984859.db2.gz VRRFEIWBYSLCGV-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840404 716984864 /nfs/dbraw/zinc/98/48/64/716984864.db2.gz VRRFEIWBYSLCGV-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840404 716984866 /nfs/dbraw/zinc/98/48/66/716984866.db2.gz VRRFEIWBYSLCGV-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940840404 716984872 /nfs/dbraw/zinc/98/48/72/716984872.db2.gz VRRFEIWBYSLCGV-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857670 716996797 /nfs/dbraw/zinc/99/67/97/716996797.db2.gz ASKHUYIRRLXYPD-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857670 716996800 /nfs/dbraw/zinc/99/68/00/716996800.db2.gz ASKHUYIRRLXYPD-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857670 716996802 /nfs/dbraw/zinc/99/68/02/716996802.db2.gz ASKHUYIRRLXYPD-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961762386 717197840 /nfs/dbraw/zinc/19/78/40/717197840.db2.gz HVOLGFSHQSCJMW-BORJPKMPSA-N 2 1 323.456 1.821 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961762386 717197844 /nfs/dbraw/zinc/19/78/44/717197844.db2.gz HVOLGFSHQSCJMW-BORJPKMPSA-N 2 1 323.456 1.821 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961762386 717197847 /nfs/dbraw/zinc/19/78/47/717197847.db2.gz HVOLGFSHQSCJMW-BORJPKMPSA-N 2 1 323.456 1.821 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357428 717757351 /nfs/dbraw/zinc/75/73/51/717757351.db2.gz KEDKQYCPVZJXIR-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943332638 718082093 /nfs/dbraw/zinc/08/20/93/718082093.db2.gz DKQXLPSXLQMJOY-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169738 718265232 /nfs/dbraw/zinc/26/52/32/718265232.db2.gz QXOIEGKFNMLJPE-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967086137 718761266 /nfs/dbraw/zinc/76/12/66/718761266.db2.gz LPKBLGKBKLYAQP-SUMWQHHRSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967086137 718761270 /nfs/dbraw/zinc/76/12/70/718761270.db2.gz LPKBLGKBKLYAQP-SUMWQHHRSA-N 2 1 310.401 1.716 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946893015 718937442 /nfs/dbraw/zinc/93/74/42/718937442.db2.gz WPRNDGCKUFSSGY-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946893015 718937441 /nfs/dbraw/zinc/93/74/41/718937441.db2.gz WPRNDGCKUFSSGY-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946893015 718937444 /nfs/dbraw/zinc/93/74/44/718937444.db2.gz WPRNDGCKUFSSGY-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946899785 718939406 /nfs/dbraw/zinc/93/94/06/718939406.db2.gz PBGIQRXJVHEDTR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946899785 718939407 /nfs/dbraw/zinc/93/94/07/718939407.db2.gz PBGIQRXJVHEDTR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946899785 718939410 /nfs/dbraw/zinc/93/94/10/718939410.db2.gz PBGIQRXJVHEDTR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946899785 718939413 /nfs/dbraw/zinc/93/94/13/718939413.db2.gz PBGIQRXJVHEDTR-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C[C@@H]1C ZINC000947771455 719265641 /nfs/dbraw/zinc/26/56/41/719265641.db2.gz LSIIYLJZBOYCEO-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771455 719265643 /nfs/dbraw/zinc/26/56/43/719265643.db2.gz LSIIYLJZBOYCEO-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947776629 719267097 /nfs/dbraw/zinc/26/70/97/719267097.db2.gz XJNPVADHHZDRSB-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC000947908159 719304834 /nfs/dbraw/zinc/30/48/34/719304834.db2.gz PFZILJPFLXQYSU-MAUKXSAKSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC000948448856 719504051 /nfs/dbraw/zinc/50/40/51/719504051.db2.gz INCDSRLNPAXOPZ-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC000948448856 719504055 /nfs/dbraw/zinc/50/40/55/719504055.db2.gz INCDSRLNPAXOPZ-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000948448856 719504057 /nfs/dbraw/zinc/50/40/57/719504057.db2.gz INCDSRLNPAXOPZ-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC000948448856 719504061 /nfs/dbraw/zinc/50/40/61/719504061.db2.gz INCDSRLNPAXOPZ-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CCN1CC[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000968331925 719512797 /nfs/dbraw/zinc/51/27/97/719512797.db2.gz RXROACLYPJCZCW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331925 719512802 /nfs/dbraw/zinc/51/28/02/719512802.db2.gz RXROACLYPJCZCW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331925 719512806 /nfs/dbraw/zinc/51/28/06/719512806.db2.gz RXROACLYPJCZCW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000968331925 719512811 /nfs/dbraw/zinc/51/28/11/719512811.db2.gz RXROACLYPJCZCW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC000969154159 719979752 /nfs/dbraw/zinc/97/97/52/719979752.db2.gz YWJLLXBTYZCYRW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969154159 719979753 /nfs/dbraw/zinc/97/97/53/719979753.db2.gz YWJLLXBTYZCYRW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969154159 719979756 /nfs/dbraw/zinc/97/97/56/719979756.db2.gz YWJLLXBTYZCYRW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969154159 719979758 /nfs/dbraw/zinc/97/97/58/719979758.db2.gz YWJLLXBTYZCYRW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969154159 719979759 /nfs/dbraw/zinc/97/97/59/719979759.db2.gz YWJLLXBTYZCYRW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000949526392 720140470 /nfs/dbraw/zinc/14/04/70/720140470.db2.gz RYSSRTPBGCBPEW-UHFFFAOYSA-N 2 1 321.465 1.352 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000969962336 720578170 /nfs/dbraw/zinc/57/81/70/720578170.db2.gz LLVPHDLYXNBDPJ-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023550747 735306122 /nfs/dbraw/zinc/30/61/22/735306122.db2.gz LARGGRPNZDMAJV-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550747 735306128 /nfs/dbraw/zinc/30/61/28/735306128.db2.gz LARGGRPNZDMAJV-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550747 735306132 /nfs/dbraw/zinc/30/61/32/735306132.db2.gz LARGGRPNZDMAJV-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707020 735408637 /nfs/dbraw/zinc/40/86/37/735408637.db2.gz GWDHRHDWAVKMKQ-CQSZACIVSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707020 735408640 /nfs/dbraw/zinc/40/86/40/735408640.db2.gz GWDHRHDWAVKMKQ-CQSZACIVSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001023762012 735450273 /nfs/dbraw/zinc/45/02/73/735450273.db2.gz OYOFPWZJPJVDJM-QGZVFWFLSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694811 738558638 /nfs/dbraw/zinc/55/86/38/738558638.db2.gz JCSHGBYYKPJWLC-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604073 733362160 /nfs/dbraw/zinc/36/21/60/733362160.db2.gz ASNXGVPJOQOKMH-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604073 733362162 /nfs/dbraw/zinc/36/21/62/733362162.db2.gz ASNXGVPJOQOKMH-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604073 733362165 /nfs/dbraw/zinc/36/21/65/733362165.db2.gz ASNXGVPJOQOKMH-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001114988673 734385717 /nfs/dbraw/zinc/38/57/17/734385717.db2.gz JTDSZUCAGOBRSV-LTIDMASMSA-N 2 1 307.482 1.975 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001022597787 734630229 /nfs/dbraw/zinc/63/02/29/734630229.db2.gz PSJYQUCSPZTCIS-MJBXVCDLSA-N 2 1 315.845 1.085 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001022597787 734630230 /nfs/dbraw/zinc/63/02/30/734630230.db2.gz PSJYQUCSPZTCIS-MJBXVCDLSA-N 2 1 315.845 1.085 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024377017 735794788 /nfs/dbraw/zinc/79/47/88/735794788.db2.gz HQPVRDBAYWNJFM-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024377017 735794789 /nfs/dbraw/zinc/79/47/89/735794789.db2.gz HQPVRDBAYWNJFM-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024377017 735794790 /nfs/dbraw/zinc/79/47/90/735794790.db2.gz HQPVRDBAYWNJFM-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024377017 735794791 /nfs/dbraw/zinc/79/47/91/735794791.db2.gz HQPVRDBAYWNJFM-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027981324 738903178 /nfs/dbraw/zinc/90/31/78/738903178.db2.gz MAHMULADDXKMCF-HUUCEWRRSA-N 2 1 300.406 1.049 20 30 DDEDMP CC#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027981324 738903180 /nfs/dbraw/zinc/90/31/80/738903180.db2.gz MAHMULADDXKMCF-HUUCEWRRSA-N 2 1 300.406 1.049 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296558 735970358 /nfs/dbraw/zinc/97/03/58/735970358.db2.gz BGLPRCFELOQGRH-OIISXLGYSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296558 735970361 /nfs/dbraw/zinc/97/03/61/735970361.db2.gz BGLPRCFELOQGRH-OIISXLGYSA-N 2 1 316.449 1.983 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@@H]21 ZINC001087313022 736051266 /nfs/dbraw/zinc/05/12/66/736051266.db2.gz NVUPQTHNJGCWEO-BZUAXINKSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139820 737140141 /nfs/dbraw/zinc/14/01/41/737140141.db2.gz URQWIDXDDZNVQQ-SMLCLMEVSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008317832 737508668 /nfs/dbraw/zinc/50/86/68/737508668.db2.gz XKYFTIFQRLGXAY-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008317832 737508670 /nfs/dbraw/zinc/50/86/70/737508670.db2.gz XKYFTIFQRLGXAY-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001026559778 737662063 /nfs/dbraw/zinc/66/20/63/737662063.db2.gz SMBYTEFUTDDQHO-QQFBHYJXSA-N 2 1 314.433 1.404 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001026608900 737693534 /nfs/dbraw/zinc/69/35/34/737693534.db2.gz OWHHHCLNRKWUMU-GPANFISMSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001026608900 737693535 /nfs/dbraw/zinc/69/35/35/737693535.db2.gz OWHHHCLNRKWUMU-GPANFISMSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027460920 738315182 /nfs/dbraw/zinc/31/51/82/738315182.db2.gz RLALNWFWVZHRJN-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041372900 739111657 /nfs/dbraw/zinc/11/16/57/739111657.db2.gz SJBDYSZLEZXEEO-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041372900 739111658 /nfs/dbraw/zinc/11/16/58/739111658.db2.gz SJBDYSZLEZXEEO-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041372900 739111659 /nfs/dbraw/zinc/11/16/59/739111659.db2.gz SJBDYSZLEZXEEO-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028334170 739369974 /nfs/dbraw/zinc/36/99/74/739369974.db2.gz VVTISPBALMZQML-KRWDZBQOSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587240 739701727 /nfs/dbraw/zinc/70/17/27/739701727.db2.gz HXBPAENMHRKZKV-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587240 739701732 /nfs/dbraw/zinc/70/17/32/739701732.db2.gz HXBPAENMHRKZKV-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587240 739701737 /nfs/dbraw/zinc/70/17/37/739701737.db2.gz HXBPAENMHRKZKV-SJORKVTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590550 739719169 /nfs/dbraw/zinc/71/91/69/739719169.db2.gz AEECLYKLNYCDSP-HUUCEWRRSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590550 739719172 /nfs/dbraw/zinc/71/91/72/739719172.db2.gz AEECLYKLNYCDSP-HUUCEWRRSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595314 739764053 /nfs/dbraw/zinc/76/40/53/739764053.db2.gz XNGGKIWULIUOOY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595314 739764054 /nfs/dbraw/zinc/76/40/54/739764054.db2.gz XNGGKIWULIUOOY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595314 739764056 /nfs/dbraw/zinc/76/40/56/739764056.db2.gz XNGGKIWULIUOOY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758796 739999991 /nfs/dbraw/zinc/99/99/91/739999991.db2.gz XCJRFYQBPYOIOV-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758796 739999994 /nfs/dbraw/zinc/99/99/94/739999994.db2.gz XCJRFYQBPYOIOV-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758796 739999996 /nfs/dbraw/zinc/99/99/96/739999996.db2.gz XCJRFYQBPYOIOV-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896102 740151445 /nfs/dbraw/zinc/15/14/45/740151445.db2.gz IWNXZVFFYXGCMM-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896102 740151446 /nfs/dbraw/zinc/15/14/46/740151446.db2.gz IWNXZVFFYXGCMM-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC(=C)Cl)C2)CC1 ZINC001029002314 740247589 /nfs/dbraw/zinc/24/75/89/740247589.db2.gz ODAVZNUUVMNSGQ-HNNXBMFYSA-N 2 1 323.868 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001029002314 740247590 /nfs/dbraw/zinc/24/75/90/740247590.db2.gz ODAVZNUUVMNSGQ-HNNXBMFYSA-N 2 1 323.868 1.522 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035478294 751533048 /nfs/dbraw/zinc/53/30/48/751533048.db2.gz MVSAWLMCTMPNTJ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001035478294 751533053 /nfs/dbraw/zinc/53/30/53/751533053.db2.gz MVSAWLMCTMPNTJ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035478294 751533058 /nfs/dbraw/zinc/53/30/58/751533058.db2.gz MVSAWLMCTMPNTJ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001035478294 751533061 /nfs/dbraw/zinc/53/30/61/751533061.db2.gz MVSAWLMCTMPNTJ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037927142 751565947 /nfs/dbraw/zinc/56/59/47/751565947.db2.gz PFVOEDKTVGQVSD-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704928 740713560 /nfs/dbraw/zinc/71/35/60/740713560.db2.gz NSNQAFAZBXKRID-JKSUJKDBSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1CC ZINC001087704928 740713564 /nfs/dbraw/zinc/71/35/64/740713564.db2.gz NSNQAFAZBXKRID-JKSUJKDBSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC#CC)CC1 ZINC001029596845 741131156 /nfs/dbraw/zinc/13/11/56/741131156.db2.gz BEMYVGPUPRGZTO-HDICACEKSA-N 2 1 313.445 1.030 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC#CC)CC1 ZINC001029596845 741131157 /nfs/dbraw/zinc/13/11/57/741131157.db2.gz BEMYVGPUPRGZTO-HDICACEKSA-N 2 1 313.445 1.030 20 30 DDEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001032628598 751725230 /nfs/dbraw/zinc/72/52/30/751725230.db2.gz IRCHNUGYIQYQAX-XIRDDKMYSA-N 2 1 312.417 1.062 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161976 742580331 /nfs/dbraw/zinc/58/03/31/742580331.db2.gz XNRPTQVJLBKLLQ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161976 742580335 /nfs/dbraw/zinc/58/03/35/742580335.db2.gz XNRPTQVJLBKLLQ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161976 742580337 /nfs/dbraw/zinc/58/03/37/742580337.db2.gz XNRPTQVJLBKLLQ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309526 742657760 /nfs/dbraw/zinc/65/77/60/742657760.db2.gz WETINCIXJXYALG-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076309526 742657764 /nfs/dbraw/zinc/65/77/64/742657764.db2.gz WETINCIXJXYALG-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720477 743307814 /nfs/dbraw/zinc/30/78/14/743307814.db2.gz GIRJOZKTSMJDLG-ZIFCJYIRSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517163 743846152 /nfs/dbraw/zinc/84/61/52/743846152.db2.gz RYWBYEWWYRQTGA-ZIFCJYIRSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168912 744169995 /nfs/dbraw/zinc/16/99/95/744169995.db2.gz KHZCUMQVEOJAOS-JKSUJKDBSA-N 2 1 307.482 1.672 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185669061 744271994 /nfs/dbraw/zinc/27/19/94/744271994.db2.gz NHTOHRVZVPPKIM-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067846 744331237 /nfs/dbraw/zinc/33/12/37/744331237.db2.gz ZTMYMPAOZKIGJV-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169412 744656047 /nfs/dbraw/zinc/65/60/47/744656047.db2.gz GESBSASDXOYEOS-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169412 744656050 /nfs/dbraw/zinc/65/60/50/744656050.db2.gz GESBSASDXOYEOS-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992194825 744678370 /nfs/dbraw/zinc/67/83/70/744678370.db2.gz YADDOJXATJQUJU-SOLBZPMBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992194825 744678372 /nfs/dbraw/zinc/67/83/72/744678372.db2.gz YADDOJXATJQUJU-SOLBZPMBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480582 745221166 /nfs/dbraw/zinc/22/11/66/745221166.db2.gz DLNPGOWEQCVFHV-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190890387 745368936 /nfs/dbraw/zinc/36/89/36/745368936.db2.gz QPLDCLMVELAYIQ-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001106266745 745499576 /nfs/dbraw/zinc/49/95/76/745499576.db2.gz ZZAXAMAJFQTXKY-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C)C1 ZINC001106266745 745499578 /nfs/dbraw/zinc/49/95/78/745499578.db2.gz ZZAXAMAJFQTXKY-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917759 745928209 /nfs/dbraw/zinc/92/82/09/745928209.db2.gz SRMVGPDALOIDEE-IAGOWNOFSA-N 2 1 307.482 1.909 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500114 746114404 /nfs/dbraw/zinc/11/44/04/746114404.db2.gz PMGRLNOZKFBXKS-CQSZACIVSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCC=C)C2)CC1 ZINC001194246725 746319628 /nfs/dbraw/zinc/31/96/28/746319628.db2.gz QMQAOPVUMBAXHS-QGZVFWFLSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994167088 746470934 /nfs/dbraw/zinc/47/09/34/746470934.db2.gz LOTOEMOWWGMPJC-MAUKXSAKSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001002994408 746889613 /nfs/dbraw/zinc/88/96/13/746889613.db2.gz HIXJOBCIQWKKHG-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP COc1ccc(C#N)cc1C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439446 747455777 /nfs/dbraw/zinc/45/57/77/747455777.db2.gz MQZUDWUCPAUWHB-UHFFFAOYSA-N 2 1 318.421 1.113 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730842 747587955 /nfs/dbraw/zinc/58/79/55/747587955.db2.gz ZQZUECPIZZCSRJ-QGZVFWFLSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730842 747587963 /nfs/dbraw/zinc/58/79/63/747587963.db2.gz ZQZUECPIZZCSRJ-QGZVFWFLSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001031730841 747588549 /nfs/dbraw/zinc/58/85/49/747588549.db2.gz ZQZUECPIZZCSRJ-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730841 747588552 /nfs/dbraw/zinc/58/85/52/747588552.db2.gz ZQZUECPIZZCSRJ-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001127695469 748203408 /nfs/dbraw/zinc/20/34/08/748203408.db2.gz MXCIBCVSKZKPNA-DLBZAZTESA-N 2 1 314.433 1.494 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634607 748298113 /nfs/dbraw/zinc/29/81/13/748298113.db2.gz HDLHHWCBTHDYHR-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC(=C)C)CC1 ZINC001201094223 748408681 /nfs/dbraw/zinc/40/86/81/748408681.db2.gz OYFHRVADGDUVRS-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC(=C)C)CC1 ZINC001201094223 748408684 /nfs/dbraw/zinc/40/86/84/748408684.db2.gz OYFHRVADGDUVRS-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144973 748559505 /nfs/dbraw/zinc/55/95/05/748559505.db2.gz DBYQGNGOXIGUSV-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144973 748559510 /nfs/dbraw/zinc/55/95/10/748559510.db2.gz DBYQGNGOXIGUSV-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033144973 748559515 /nfs/dbraw/zinc/55/95/15/748559515.db2.gz DBYQGNGOXIGUSV-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033144973 748559519 /nfs/dbraw/zinc/55/95/19/748559519.db2.gz DBYQGNGOXIGUSV-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004623218 748589936 /nfs/dbraw/zinc/58/99/36/748589936.db2.gz QQVPWXXGTMJYDL-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004623218 748589943 /nfs/dbraw/zinc/58/99/43/748589943.db2.gz QQVPWXXGTMJYDL-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004623218 748589946 /nfs/dbraw/zinc/58/99/46/748589946.db2.gz QQVPWXXGTMJYDL-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864402 748614299 /nfs/dbraw/zinc/61/42/99/748614299.db2.gz WJXVUTDUDQKULM-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114353048 749104589 /nfs/dbraw/zinc/10/45/89/749104589.db2.gz LOXFZRJBRJZMRF-XUWVNRHRSA-N 2 1 311.445 1.679 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995895722 749279224 /nfs/dbraw/zinc/27/92/24/749279224.db2.gz MIFXLCPNJFZUHZ-CVEARBPZSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1(C)C ZINC000996042826 749350252 /nfs/dbraw/zinc/35/02/52/749350252.db2.gz MVOHGDKUXNLKKH-MRXNPFEDSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001089894942 749412897 /nfs/dbraw/zinc/41/28/97/749412897.db2.gz YIWXFASANDFWPT-QAETUUGQSA-N 2 1 315.461 1.437 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996302125 749497880 /nfs/dbraw/zinc/49/78/80/749497880.db2.gz WDNGBRXJLJGLPS-GXTWGEPZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033837142 749960806 /nfs/dbraw/zinc/96/08/06/749960806.db2.gz KOAUHYVNGYJSGR-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001111408370 750622576 /nfs/dbraw/zinc/62/25/76/750622576.db2.gz VKXJKKHEBLKIGI-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408370 750622579 /nfs/dbraw/zinc/62/25/79/750622579.db2.gz VKXJKKHEBLKIGI-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001111408370 750622581 /nfs/dbraw/zinc/62/25/81/750622581.db2.gz VKXJKKHEBLKIGI-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034663834 750635786 /nfs/dbraw/zinc/63/57/86/750635786.db2.gz LUVNKWGJIIENET-ULQDDVLXSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001034663834 750635791 /nfs/dbraw/zinc/63/57/91/750635791.db2.gz LUVNKWGJIIENET-ULQDDVLXSA-N 2 1 303.450 1.511 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416868 750645528 /nfs/dbraw/zinc/64/55/28/750645528.db2.gz ULFCFOSIEZLTEH-KURKYZTESA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001005586853 750671325 /nfs/dbraw/zinc/67/13/25/750671325.db2.gz ZFDOAYGQGRFUFT-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531079 750691614 /nfs/dbraw/zinc/69/16/14/750691614.db2.gz CXBWOSYPIRVQAR-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163512 750918303 /nfs/dbraw/zinc/91/83/03/750918303.db2.gz KMEDCDYKZRWTDV-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008279863 752650343 /nfs/dbraw/zinc/65/03/43/752650343.db2.gz KDFCHKMPKUODEM-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008279863 752650347 /nfs/dbraw/zinc/65/03/47/752650347.db2.gz KDFCHKMPKUODEM-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279863 752650350 /nfs/dbraw/zinc/65/03/50/752650350.db2.gz KDFCHKMPKUODEM-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279863 752650355 /nfs/dbraw/zinc/65/03/55/752650355.db2.gz KDFCHKMPKUODEM-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999498484 752952492 /nfs/dbraw/zinc/95/24/92/752952492.db2.gz VHFUKQKYVGADPE-MGPQQGTHSA-N 2 1 315.845 1.039 20 30 DDEDMP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001010370406 753823230 /nfs/dbraw/zinc/82/32/30/753823230.db2.gz WLXOFPDNAAJJME-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001010370406 753823237 /nfs/dbraw/zinc/82/32/37/753823237.db2.gz WLXOFPDNAAJJME-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001010370406 753823244 /nfs/dbraw/zinc/82/32/44/753823244.db2.gz WLXOFPDNAAJJME-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001010370406 753823253 /nfs/dbraw/zinc/82/32/53/753823253.db2.gz WLXOFPDNAAJJME-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757792 754495957 /nfs/dbraw/zinc/49/59/57/754495957.db2.gz XPNQROIUPFTXIL-QGZVFWFLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014466275 755747499 /nfs/dbraw/zinc/74/74/99/755747499.db2.gz CAVPNKMWJMDPEC-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080345842 755860040 /nfs/dbraw/zinc/86/00/40/755860040.db2.gz BLKGATMEUQXYPY-UKRRQHHQSA-N 2 1 305.422 1.967 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080345842 755860045 /nfs/dbraw/zinc/86/00/45/755860045.db2.gz BLKGATMEUQXYPY-UKRRQHHQSA-N 2 1 305.422 1.967 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001040202428 762437142 /nfs/dbraw/zinc/43/71/42/762437142.db2.gz RKDBIWWIMGISNF-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202428 762437144 /nfs/dbraw/zinc/43/71/44/762437144.db2.gz RKDBIWWIMGISNF-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001040202428 762437150 /nfs/dbraw/zinc/43/71/50/762437150.db2.gz RKDBIWWIMGISNF-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081097924 756205813 /nfs/dbraw/zinc/20/58/13/756205813.db2.gz MDVOVCHNKUIGOB-KSZLIROESA-N 2 1 313.445 1.851 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699160 756453976 /nfs/dbraw/zinc/45/39/76/756453976.db2.gz GSZAQSIBWXZIIE-YLFCFFPRSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699160 756453979 /nfs/dbraw/zinc/45/39/79/756453979.db2.gz GSZAQSIBWXZIIE-YLFCFFPRSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699160 756453982 /nfs/dbraw/zinc/45/39/82/756453982.db2.gz GSZAQSIBWXZIIE-YLFCFFPRSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015696168 756472621 /nfs/dbraw/zinc/47/26/21/756472621.db2.gz WFJIFNNHOVOLOV-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015696168 756472622 /nfs/dbraw/zinc/47/26/22/756472622.db2.gz WFJIFNNHOVOLOV-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015696168 756472624 /nfs/dbraw/zinc/47/26/24/756472624.db2.gz WFJIFNNHOVOLOV-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911922 756645034 /nfs/dbraw/zinc/64/50/34/756645034.db2.gz WPAHNUYKCVZWCV-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911922 756645035 /nfs/dbraw/zinc/64/50/35/756645035.db2.gz WPAHNUYKCVZWCV-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219257 756987955 /nfs/dbraw/zinc/98/79/55/756987955.db2.gz YHVBLHFNKRUSRP-ZJPYXAASSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001097219257 756987965 /nfs/dbraw/zinc/98/79/65/756987965.db2.gz YHVBLHFNKRUSRP-ZJPYXAASSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001097219257 756987974 /nfs/dbraw/zinc/98/79/74/756987974.db2.gz YHVBLHFNKRUSRP-ZJPYXAASSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001097219257 756987980 /nfs/dbraw/zinc/98/79/80/756987980.db2.gz YHVBLHFNKRUSRP-ZJPYXAASSA-N 2 1 315.461 1.748 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016554114 757154884 /nfs/dbraw/zinc/15/48/84/757154884.db2.gz VZERMJDXBOELRL-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016554114 757154889 /nfs/dbraw/zinc/15/48/89/757154889.db2.gz VZERMJDXBOELRL-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016664920 757248972 /nfs/dbraw/zinc/24/89/72/757248972.db2.gz ZVBBIDBMGFPGRN-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC)CC2 ZINC001016670757 757252245 /nfs/dbraw/zinc/25/22/45/757252245.db2.gz SFVIUOSJYRLPMH-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC)CC2 ZINC001016670757 757252251 /nfs/dbraw/zinc/25/22/51/757252251.db2.gz SFVIUOSJYRLPMH-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338604 757499402 /nfs/dbraw/zinc/49/94/02/757499402.db2.gz YIJYOPJCJCZABJ-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338604 757499405 /nfs/dbraw/zinc/49/94/05/757499405.db2.gz YIJYOPJCJCZABJ-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338604 757499407 /nfs/dbraw/zinc/49/94/07/757499407.db2.gz YIJYOPJCJCZABJ-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084471788 757590199 /nfs/dbraw/zinc/59/01/99/757590199.db2.gz MDTINLIWKNGXMN-CRAIPNDOSA-N 2 1 322.412 1.812 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084471788 757590204 /nfs/dbraw/zinc/59/02/04/757590204.db2.gz MDTINLIWKNGXMN-CRAIPNDOSA-N 2 1 322.412 1.812 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484415 757605992 /nfs/dbraw/zinc/60/59/92/757605992.db2.gz ULYXIXSXHCUWNZ-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(C)C)C[C@H]32)CC1 ZINC001084850360 757980662 /nfs/dbraw/zinc/98/06/62/757980662.db2.gz YJHYOGQNTMOAPG-QZTJIDSGSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953522 758093526 /nfs/dbraw/zinc/09/35/26/758093526.db2.gz RTBQOUOMBOTKOF-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953522 758093538 /nfs/dbraw/zinc/09/35/38/758093538.db2.gz RTBQOUOMBOTKOF-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953522 758093550 /nfs/dbraw/zinc/09/35/50/758093550.db2.gz RTBQOUOMBOTKOF-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO2 ZINC001053296217 758352421 /nfs/dbraw/zinc/35/24/21/758352421.db2.gz FCRGLZWRRODZSH-INIZCTEOSA-N 2 1 323.481 1.452 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054144602 759222434 /nfs/dbraw/zinc/22/24/34/759222434.db2.gz ALAQXYOQKMPZKP-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001054146220 759223812 /nfs/dbraw/zinc/22/38/12/759223812.db2.gz AOQYHLYKJYUEIT-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146220 759223819 /nfs/dbraw/zinc/22/38/19/759223819.db2.gz AOQYHLYKJYUEIT-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001054146220 759223826 /nfs/dbraw/zinc/22/38/26/759223826.db2.gz AOQYHLYKJYUEIT-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCF)C2)C1 ZINC001054147080 759226168 /nfs/dbraw/zinc/22/61/68/759226168.db2.gz JIDBBFCAAUUSEZ-FUHWJXTLSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001054147080 759226174 /nfs/dbraw/zinc/22/61/74/759226174.db2.gz JIDBBFCAAUUSEZ-FUHWJXTLSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCF)C2)C1 ZINC001054147080 759226177 /nfs/dbraw/zinc/22/61/77/759226177.db2.gz JIDBBFCAAUUSEZ-FUHWJXTLSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCF)C2)C1 ZINC001054147080 759226185 /nfs/dbraw/zinc/22/61/85/759226185.db2.gz JIDBBFCAAUUSEZ-FUHWJXTLSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197932 759282903 /nfs/dbraw/zinc/28/29/03/759282903.db2.gz LXPXVQHMRMDAMD-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197932 759282909 /nfs/dbraw/zinc/28/29/09/759282909.db2.gz LXPXVQHMRMDAMD-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197932 759282918 /nfs/dbraw/zinc/28/29/18/759282918.db2.gz LXPXVQHMRMDAMD-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054227315 759316849 /nfs/dbraw/zinc/31/68/49/759316849.db2.gz GUSOBTCFSSOVMV-QGZVFWFLSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639105 759911266 /nfs/dbraw/zinc/91/12/66/759911266.db2.gz IADMHNDZOSCPFD-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639105 759911272 /nfs/dbraw/zinc/91/12/72/759911272.db2.gz IADMHNDZOSCPFD-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085669128 759964057 /nfs/dbraw/zinc/96/40/57/759964057.db2.gz RQNYOURWXREBMD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086106939 760991639 /nfs/dbraw/zinc/99/16/39/760991639.db2.gz DQDRKYHLSZCTEN-HZSPNIEDSA-N 2 1 322.840 1.997 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001086199590 761159223 /nfs/dbraw/zinc/15/92/23/761159223.db2.gz JAYXTPBVJWJNBC-OKILXGFUSA-N 2 1 316.405 1.002 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000104536 761511905 /nfs/dbraw/zinc/51/19/05/761511905.db2.gz JIHFEKQPWQZXFA-MRXNPFEDSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001039116161 761753126 /nfs/dbraw/zinc/75/31/26/761753126.db2.gz MKTZUOGAIMLXOO-IRXDYDNUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001039116161 761753130 /nfs/dbraw/zinc/75/31/30/761753130.db2.gz MKTZUOGAIMLXOO-IRXDYDNUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039116161 761753134 /nfs/dbraw/zinc/75/31/34/761753134.db2.gz MKTZUOGAIMLXOO-IRXDYDNUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039116161 761753138 /nfs/dbraw/zinc/75/31/38/761753138.db2.gz MKTZUOGAIMLXOO-IRXDYDNUSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001001348248 762781576 /nfs/dbraw/zinc/78/15/76/762781576.db2.gz BFZDAJLFPDDJCJ-UHFFFAOYSA-N 2 1 315.461 1.490 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041274758 762925703 /nfs/dbraw/zinc/92/57/03/762925703.db2.gz BGJOJKJBIGCUOK-WMZOPIPTSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274758 762925706 /nfs/dbraw/zinc/92/57/06/762925706.db2.gz BGJOJKJBIGCUOK-WMZOPIPTSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274758 762925710 /nfs/dbraw/zinc/92/57/10/762925710.db2.gz BGJOJKJBIGCUOK-WMZOPIPTSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041286325 762934269 /nfs/dbraw/zinc/93/42/69/762934269.db2.gz JUJMEXYOFBEUNI-HKUYNNGSSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364540 762943673 /nfs/dbraw/zinc/94/36/73/762943673.db2.gz WNZFDSWYMXXLSK-RDJZCZTQSA-N 2 1 323.481 1.690 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041357828 762978479 /nfs/dbraw/zinc/97/84/79/762978479.db2.gz JDHSDYNTFWHBGS-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041357828 762978483 /nfs/dbraw/zinc/97/84/83/762978483.db2.gz JDHSDYNTFWHBGS-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041357828 762978489 /nfs/dbraw/zinc/97/84/89/762978489.db2.gz JDHSDYNTFWHBGS-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139497 763202244 /nfs/dbraw/zinc/20/22/44/763202244.db2.gz DBHUUVGIBDFLEL-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139497 763202254 /nfs/dbraw/zinc/20/22/54/763202254.db2.gz DBHUUVGIBDFLEL-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139497 763202261 /nfs/dbraw/zinc/20/22/61/763202261.db2.gz DBHUUVGIBDFLEL-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041784986 763325776 /nfs/dbraw/zinc/32/57/76/763325776.db2.gz BCVOPWFYRKFOAC-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041784986 763325786 /nfs/dbraw/zinc/32/57/86/763325786.db2.gz BCVOPWFYRKFOAC-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041784986 763325793 /nfs/dbraw/zinc/32/57/93/763325793.db2.gz BCVOPWFYRKFOAC-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041832232 763384591 /nfs/dbraw/zinc/38/45/91/763384591.db2.gz UWGHWYBTEFALNH-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041832232 763384600 /nfs/dbraw/zinc/38/46/00/763384600.db2.gz UWGHWYBTEFALNH-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041832232 763384610 /nfs/dbraw/zinc/38/46/10/763384610.db2.gz UWGHWYBTEFALNH-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156414 763720230 /nfs/dbraw/zinc/72/02/30/763720230.db2.gz IJNGJTGVQDERSK-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156414 763720234 /nfs/dbraw/zinc/72/02/34/763720234.db2.gz IJNGJTGVQDERSK-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233537 763793336 /nfs/dbraw/zinc/79/33/36/763793336.db2.gz FZYCZODHKZHIBY-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233537 763793343 /nfs/dbraw/zinc/79/33/43/763793343.db2.gz FZYCZODHKZHIBY-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233537 763793348 /nfs/dbraw/zinc/79/33/48/763793348.db2.gz FZYCZODHKZHIBY-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]cnc3C)C[C@@H]21 ZINC001042335725 763933674 /nfs/dbraw/zinc/93/36/74/763933674.db2.gz NEEZXTAIQLBQBK-HOCLYGCPSA-N 2 1 300.406 1.207 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046992774 768176315 /nfs/dbraw/zinc/17/63/15/768176315.db2.gz CINOLRVYEQALPB-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992774 768176317 /nfs/dbraw/zinc/17/63/17/768176317.db2.gz CINOLRVYEQALPB-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992774 768176320 /nfs/dbraw/zinc/17/63/20/768176320.db2.gz CINOLRVYEQALPB-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979052 764251058 /nfs/dbraw/zinc/25/10/58/764251058.db2.gz QRIMKFOWZHYRGO-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043462594 764919215 /nfs/dbraw/zinc/91/92/15/764919215.db2.gz BOBYUUPDZOCHAT-KRWDZBQOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131696999 768278779 /nfs/dbraw/zinc/27/87/79/768278779.db2.gz FLOCDLHQOHVCSZ-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696999 768278782 /nfs/dbraw/zinc/27/87/82/768278782.db2.gz FLOCDLHQOHVCSZ-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696999 768278783 /nfs/dbraw/zinc/27/87/83/768278783.db2.gz FLOCDLHQOHVCSZ-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001052457874 765847280 /nfs/dbraw/zinc/84/72/80/765847280.db2.gz WHTKCUIWZMJSRX-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001052457874 765847289 /nfs/dbraw/zinc/84/72/89/765847289.db2.gz WHTKCUIWZMJSRX-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052457874 765847299 /nfs/dbraw/zinc/84/72/99/765847299.db2.gz WHTKCUIWZMJSRX-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001052457874 765847307 /nfs/dbraw/zinc/84/73/07/765847307.db2.gz WHTKCUIWZMJSRX-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052511688 765905600 /nfs/dbraw/zinc/90/56/00/765905600.db2.gz DCTYAEWFOKGDLL-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052511688 765905603 /nfs/dbraw/zinc/90/56/03/765905603.db2.gz DCTYAEWFOKGDLL-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052658205 766046041 /nfs/dbraw/zinc/04/60/41/766046041.db2.gz HLYURYXHMRFVKL-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052658205 766046046 /nfs/dbraw/zinc/04/60/46/766046046.db2.gz HLYURYXHMRFVKL-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658205 766046054 /nfs/dbraw/zinc/04/60/54/766046054.db2.gz HLYURYXHMRFVKL-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658205 766046062 /nfs/dbraw/zinc/04/60/62/766046062.db2.gz HLYURYXHMRFVKL-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663693 766051793 /nfs/dbraw/zinc/05/17/93/766051793.db2.gz WSSKILHRAXBLBD-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663693 766051802 /nfs/dbraw/zinc/05/18/02/766051802.db2.gz WSSKILHRAXBLBD-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045984321 766760230 /nfs/dbraw/zinc/76/02/30/766760230.db2.gz XKWNTVHQDIVWOB-GOSISDBHSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304710 766868364 /nfs/dbraw/zinc/86/83/64/766868364.db2.gz XKEMZVYIAQMYME-OIPACUDHSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304710 766868375 /nfs/dbraw/zinc/86/83/75/766868375.db2.gz XKEMZVYIAQMYME-OIPACUDHSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001129770122 766998503 /nfs/dbraw/zinc/99/85/03/766998503.db2.gz BGTQZOIZCYEOQK-KRWDZBQOSA-N 2 1 317.477 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC2(CC2)CC1 ZINC001129770122 766998506 /nfs/dbraw/zinc/99/85/06/766998506.db2.gz BGTQZOIZCYEOQK-KRWDZBQOSA-N 2 1 317.477 1.760 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001130418950 767522276 /nfs/dbraw/zinc/52/22/76/767522276.db2.gz DHKCUKAMLSXPLL-UHFFFAOYSA-N 2 1 308.451 1.556 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001047547476 768559726 /nfs/dbraw/zinc/55/97/26/768559726.db2.gz SGHYUHQUGATMNL-GJZGRUSLSA-N 2 1 320.437 1.086 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001047547476 768559730 /nfs/dbraw/zinc/55/97/30/768559730.db2.gz SGHYUHQUGATMNL-GJZGRUSLSA-N 2 1 320.437 1.086 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517803 768931410 /nfs/dbraw/zinc/93/14/10/768931410.db2.gz GXAQCVCLMIUNAC-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848653 769259461 /nfs/dbraw/zinc/25/94/61/769259461.db2.gz NWSZUXFJOWEAQW-MRXNPFEDSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001048524816 769492671 /nfs/dbraw/zinc/49/26/71/769492671.db2.gz AMHQQIBYICLUEA-MHORFTMASA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133142109 769525667 /nfs/dbraw/zinc/52/56/67/769525667.db2.gz KNWDFZLXYMXHBP-CVEARBPZSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818422 769937917 /nfs/dbraw/zinc/93/79/17/769937917.db2.gz JGYOJTOCQRZZKB-BDXSIMOUSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818422 769937926 /nfs/dbraw/zinc/93/79/26/769937926.db2.gz JGYOJTOCQRZZKB-BDXSIMOUSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818422 769937933 /nfs/dbraw/zinc/93/79/33/769937933.db2.gz JGYOJTOCQRZZKB-BDXSIMOUSA-N 2 1 315.461 1.274 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823945 769947516 /nfs/dbraw/zinc/94/75/16/769947516.db2.gz NLVDVHZHGJNBAQ-OWCLPIDISA-N 2 1 323.868 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001048863382 770007896 /nfs/dbraw/zinc/00/78/96/770007896.db2.gz VMSDQJMGZMEUFO-OKILXGFUSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048863382 770007904 /nfs/dbraw/zinc/00/79/04/770007904.db2.gz VMSDQJMGZMEUFO-OKILXGFUSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048863382 770007916 /nfs/dbraw/zinc/00/79/16/770007916.db2.gz VMSDQJMGZMEUFO-OKILXGFUSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048871929 770027587 /nfs/dbraw/zinc/02/75/87/770027587.db2.gz SORNXUOXPRABLV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871929 770027601 /nfs/dbraw/zinc/02/76/01/770027601.db2.gz SORNXUOXPRABLV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871929 770027616 /nfs/dbraw/zinc/02/76/16/770027616.db2.gz SORNXUOXPRABLV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048974976 770197186 /nfs/dbraw/zinc/19/71/86/770197186.db2.gz LWDWKHKDZYRYFG-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049234422 770581373 /nfs/dbraw/zinc/58/13/73/770581373.db2.gz GDGWMENFKMYGNH-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049515415 770958169 /nfs/dbraw/zinc/95/81/69/770958169.db2.gz OVVKZHIRWCNOGX-RCCFBDPRSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049515415 770958173 /nfs/dbraw/zinc/95/81/73/770958173.db2.gz OVVKZHIRWCNOGX-RCCFBDPRSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049515415 770958180 /nfs/dbraw/zinc/95/81/80/770958180.db2.gz OVVKZHIRWCNOGX-RCCFBDPRSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049767552 771145158 /nfs/dbraw/zinc/14/51/58/771145158.db2.gz POGXTZQXSSPZDC-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767552 771145161 /nfs/dbraw/zinc/14/51/61/771145161.db2.gz POGXTZQXSSPZDC-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767552 771145164 /nfs/dbraw/zinc/14/51/64/771145164.db2.gz POGXTZQXSSPZDC-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049767555 771145400 /nfs/dbraw/zinc/14/54/00/771145400.db2.gz POGXTZQXSSPZDC-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767555 771145401 /nfs/dbraw/zinc/14/54/01/771145401.db2.gz POGXTZQXSSPZDC-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767555 771145402 /nfs/dbraw/zinc/14/54/02/771145402.db2.gz POGXTZQXSSPZDC-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC=C)CC1 ZINC001049918819 771259648 /nfs/dbraw/zinc/25/96/48/771259648.db2.gz MUFJWXJJNSTXQB-QZTJIDSGSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091666789 773267925 /nfs/dbraw/zinc/26/79/25/773267925.db2.gz GBTNKUOFBJTPOB-LMMKCTJWSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986298 773322630 /nfs/dbraw/zinc/32/26/30/773322630.db2.gz RGJFNRXTFHRBHQ-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001148638677 773561790 /nfs/dbraw/zinc/56/17/90/773561790.db2.gz MWMXEAGQCZAKEQ-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910074 773857056 /nfs/dbraw/zinc/85/70/56/773857056.db2.gz GZKRCOLUIXBVJT-APWZRJJASA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001099026937 774779262 /nfs/dbraw/zinc/77/92/62/774779262.db2.gz IHVAJBYXBZODRS-RYRKJORJSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099026937 774779265 /nfs/dbraw/zinc/77/92/65/774779265.db2.gz IHVAJBYXBZODRS-RYRKJORJSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099026937 774779266 /nfs/dbraw/zinc/77/92/66/774779266.db2.gz IHVAJBYXBZODRS-RYRKJORJSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001099119187 774847937 /nfs/dbraw/zinc/84/79/37/774847937.db2.gz JTQLMIKHODKJNV-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099119187 774847945 /nfs/dbraw/zinc/84/79/45/774847945.db2.gz JTQLMIKHODKJNV-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099119187 774847951 /nfs/dbraw/zinc/84/79/51/774847951.db2.gz JTQLMIKHODKJNV-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036855550 774966692 /nfs/dbraw/zinc/96/66/92/774966692.db2.gz CUQNYSHHRPSQAM-WBVHZDCISA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100437911 776155797 /nfs/dbraw/zinc/15/57/97/776155797.db2.gz GVNNOVLRBSWYMJ-PRLABOORSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100437911 776155808 /nfs/dbraw/zinc/15/58/08/776155808.db2.gz GVNNOVLRBSWYMJ-PRLABOORSA-N 2 1 309.454 1.156 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001100729836 776478417 /nfs/dbraw/zinc/47/84/17/776478417.db2.gz RTNSKRXVGQPNDR-JCYILVPMSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368954 777100782 /nfs/dbraw/zinc/10/07/82/777100782.db2.gz VZEGBMBWJMIQCC-QAPCUYQASA-N 2 1 305.466 1.378 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368954 777100786 /nfs/dbraw/zinc/10/07/86/777100786.db2.gz VZEGBMBWJMIQCC-QAPCUYQASA-N 2 1 305.466 1.378 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368954 777100788 /nfs/dbraw/zinc/10/07/88/777100788.db2.gz VZEGBMBWJMIQCC-QAPCUYQASA-N 2 1 305.466 1.378 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046283 777829465 /nfs/dbraw/zinc/82/94/65/777829465.db2.gz WCVDXDIVJRPTFQ-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001176023837 778003721 /nfs/dbraw/zinc/00/37/21/778003721.db2.gz JSTSUTNMXPUBOF-INIZCTEOSA-N 2 1 313.486 1.795 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103446 778640608 /nfs/dbraw/zinc/64/06/08/778640608.db2.gz JJVBKYAGJPZENU-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103446 778640612 /nfs/dbraw/zinc/64/06/12/778640612.db2.gz JJVBKYAGJPZENU-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103446 778640617 /nfs/dbraw/zinc/64/06/17/778640617.db2.gz JJVBKYAGJPZENU-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782645 779478681 /nfs/dbraw/zinc/47/86/81/779478681.db2.gz ROXGSRZGJMQFNG-JZXOWHBKSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782645 779478684 /nfs/dbraw/zinc/47/86/84/779478684.db2.gz ROXGSRZGJMQFNG-JZXOWHBKSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782645 779478688 /nfs/dbraw/zinc/47/86/88/779478688.db2.gz ROXGSRZGJMQFNG-JZXOWHBKSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114971850 779795262 /nfs/dbraw/zinc/79/52/62/779795262.db2.gz AJTJXYRCGZCNMH-VQFNDLOPSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114971850 779795267 /nfs/dbraw/zinc/79/52/67/779795267.db2.gz AJTJXYRCGZCNMH-VQFNDLOPSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979687 779800719 /nfs/dbraw/zinc/80/07/19/779800719.db2.gz BRUZNYVDCFTKIQ-CBZIJGRNSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979687 779800723 /nfs/dbraw/zinc/80/07/23/779800723.db2.gz BRUZNYVDCFTKIQ-CBZIJGRNSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241551 779971630 /nfs/dbraw/zinc/97/16/30/779971630.db2.gz KHQAWWRKWDRNAF-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001115533945 780219138 /nfs/dbraw/zinc/21/91/38/780219138.db2.gz ZCPKISXWXNIEBB-INIZCTEOSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266471995 836313283 /nfs/dbraw/zinc/31/32/83/836313283.db2.gz ABXMCPXUSWSYFY-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266471995 836313291 /nfs/dbraw/zinc/31/32/91/836313291.db2.gz ABXMCPXUSWSYFY-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266471995 836313305 /nfs/dbraw/zinc/31/33/05/836313305.db2.gz ABXMCPXUSWSYFY-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266487189 836334968 /nfs/dbraw/zinc/33/49/68/836334968.db2.gz VMWHGVKVCJRYPK-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001266488742 836339415 /nfs/dbraw/zinc/33/94/15/836339415.db2.gz OROBRSNUIMUVAV-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001266488742 836339429 /nfs/dbraw/zinc/33/94/29/836339429.db2.gz OROBRSNUIMUVAV-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001266488742 836339440 /nfs/dbraw/zinc/33/94/40/836339440.db2.gz OROBRSNUIMUVAV-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266879066 836989150 /nfs/dbraw/zinc/98/91/50/836989150.db2.gz OCSNAYQQPUZTNJ-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001267495980 838179129 /nfs/dbraw/zinc/17/91/29/838179129.db2.gz JKWXZSAICMHDLK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267535723 838263866 /nfs/dbraw/zinc/26/38/66/838263866.db2.gz DSJFXHBMBVSNBY-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267535723 838263877 /nfs/dbraw/zinc/26/38/77/838263877.db2.gz DSJFXHBMBVSNBY-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267535723 838263888 /nfs/dbraw/zinc/26/38/88/838263888.db2.gz DSJFXHBMBVSNBY-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001267687117 838639741 /nfs/dbraw/zinc/63/97/41/838639741.db2.gz XAZYUOGTUVSZFA-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267767570 838914113 /nfs/dbraw/zinc/91/41/13/838914113.db2.gz HUUOPUKDFFLFLZ-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268152394 839761447 /nfs/dbraw/zinc/76/14/47/839761447.db2.gz AWEBFORNAGJBNI-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001269080317 841180005 /nfs/dbraw/zinc/18/00/05/841180005.db2.gz ZGRNKTZUXWVWFH-ROUUACIJSA-N 2 1 317.477 1.901 20 30 DDEDMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001269579406 841779177 /nfs/dbraw/zinc/77/91/77/841779177.db2.gz JUBNTASDIBLMKV-XYTVBORESA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001005518490 848069599 /nfs/dbraw/zinc/06/95/99/848069599.db2.gz MRYXLURXXNPYEH-RDJZCZTQSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001005518490 848069605 /nfs/dbraw/zinc/06/96/05/848069605.db2.gz MRYXLURXXNPYEH-RDJZCZTQSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001034283247 848250450 /nfs/dbraw/zinc/25/04/50/848250450.db2.gz TXTCECIRTBLWLV-HUUCEWRRSA-N 2 1 300.406 1.049 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149842316 861937089 /nfs/dbraw/zinc/93/70/89/861937089.db2.gz RHAYILHRLPAOBV-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001273267684 849273417 /nfs/dbraw/zinc/27/34/17/849273417.db2.gz IMFRXLKXMPZQJK-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150297790 862173068 /nfs/dbraw/zinc/17/30/68/862173068.db2.gz CSZZBVHOQAUDFH-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001273492409 851026260 /nfs/dbraw/zinc/02/62/60/851026260.db2.gz QBXRASYCNMVLDY-QGZVFWFLSA-N 2 1 318.421 1.190 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417785 862231376 /nfs/dbraw/zinc/23/13/76/862231376.db2.gz RXBQKXIGGOYGJG-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001274318815 852154397 /nfs/dbraw/zinc/15/43/97/852154397.db2.gz SSCHIEDEBUTRRE-YIEVGGLXSA-N 2 1 316.449 1.982 20 30 DDEDMP C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001274945457 852704747 /nfs/dbraw/zinc/70/47/47/852704747.db2.gz LWTCDDIKUYYDDH-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001274945457 852704744 /nfs/dbraw/zinc/70/47/44/852704744.db2.gz LWTCDDIKUYYDDH-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001274945457 852704749 /nfs/dbraw/zinc/70/47/49/852704749.db2.gz LWTCDDIKUYYDDH-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[NH+](CC)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001274945457 852704751 /nfs/dbraw/zinc/70/47/51/852704751.db2.gz LWTCDDIKUYYDDH-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001275135508 852831880 /nfs/dbraw/zinc/83/18/80/852831880.db2.gz KADJSGVXUXNEKF-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001275135508 852831885 /nfs/dbraw/zinc/83/18/85/852831885.db2.gz KADJSGVXUXNEKF-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCOCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001276237901 855026940 /nfs/dbraw/zinc/02/69/40/855026940.db2.gz XLTZSPAJZHEFDX-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001049563476 856978892 /nfs/dbraw/zinc/97/88/92/856978892.db2.gz BXFNKPSVHFSJSA-KSZLIROESA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077276 858073446 /nfs/dbraw/zinc/07/34/46/858073446.db2.gz OUFXPXCLSFKROQ-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433569 858333057 /nfs/dbraw/zinc/33/30/57/858333057.db2.gz DFGVBFJYIHWEOU-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3ccccc3C[NH+](C)C)C2)C1 ZINC001073458979 858355769 /nfs/dbraw/zinc/35/57/69/858355769.db2.gz DXFHJBUFNAIBKZ-UHFFFAOYSA-N 2 1 311.429 1.529 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001152145608 863186723 /nfs/dbraw/zinc/18/67/23/863186723.db2.gz CKQLITFXSQOUTD-GASCZTMLSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(C)CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001328927919 863344321 /nfs/dbraw/zinc/34/43/21/863344321.db2.gz URFKRCCJTNJKIK-UHFFFAOYSA-N 2 1 309.454 1.159 20 30 DDEDMP Cc1[nH+]c(N)ccc1CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001156974324 863488891 /nfs/dbraw/zinc/48/88/91/863488891.db2.gz IAONGFHNWGFYEW-UHFFFAOYSA-N 2 1 308.389 1.887 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCn1ccnc1C ZINC001329940596 863960623 /nfs/dbraw/zinc/96/06/23/863960623.db2.gz YYSCUBCLPVAUCH-QGZVFWFLSA-N 2 1 316.449 1.966 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001329940596 863960638 /nfs/dbraw/zinc/96/06/38/863960638.db2.gz YYSCUBCLPVAUCH-QGZVFWFLSA-N 2 1 316.449 1.966 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CC(C)C1 ZINC001153867783 864180503 /nfs/dbraw/zinc/18/05/03/864180503.db2.gz FMMVVNAQRRRMON-FPQWYMTMSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001153867783 864180513 /nfs/dbraw/zinc/18/05/13/864180513.db2.gz FMMVVNAQRRRMON-FPQWYMTMSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)C1 ZINC001153867783 864180520 /nfs/dbraw/zinc/18/05/20/864180520.db2.gz FMMVVNAQRRRMON-FPQWYMTMSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CC(C)C1 ZINC001153867783 864180527 /nfs/dbraw/zinc/18/05/27/864180527.db2.gz FMMVVNAQRRRMON-FPQWYMTMSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001330474860 864385833 /nfs/dbraw/zinc/38/58/33/864385833.db2.gz JKWRRZRSBOIVGE-KSZLIROESA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124708 864445933 /nfs/dbraw/zinc/44/59/33/864445933.db2.gz SIGLZSBGGOHZMM-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124708 864445937 /nfs/dbraw/zinc/44/59/37/864445937.db2.gz SIGLZSBGGOHZMM-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124708 864445940 /nfs/dbraw/zinc/44/59/40/864445940.db2.gz SIGLZSBGGOHZMM-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124708 864445943 /nfs/dbraw/zinc/44/59/43/864445943.db2.gz SIGLZSBGGOHZMM-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605101 864756523 /nfs/dbraw/zinc/75/65/23/864756523.db2.gz MJKNBFOOVDLXPE-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605101 864756526 /nfs/dbraw/zinc/75/65/26/864756526.db2.gz MJKNBFOOVDLXPE-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001331215443 864946641 /nfs/dbraw/zinc/94/66/41/864946641.db2.gz YRTPGLGLQIMGRP-DOTOQJQBSA-N 2 1 316.449 1.508 20 30 DDEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159726475 865486747 /nfs/dbraw/zinc/48/67/47/865486747.db2.gz XUGITFGJFGXYPZ-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159726475 865486753 /nfs/dbraw/zinc/48/67/53/865486753.db2.gz XUGITFGJFGXYPZ-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159726475 865486759 /nfs/dbraw/zinc/48/67/59/865486759.db2.gz XUGITFGJFGXYPZ-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159726475 865486767 /nfs/dbraw/zinc/48/67/67/865486767.db2.gz XUGITFGJFGXYPZ-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869286 865574954 /nfs/dbraw/zinc/57/49/54/865574954.db2.gz YACDOBAZMJIKDB-INIZCTEOSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001332202541 865661127 /nfs/dbraw/zinc/66/11/27/865661127.db2.gz BXQMSKJDHHNTJB-DOTOQJQBSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001160209376 865730211 /nfs/dbraw/zinc/73/02/11/865730211.db2.gz KBDGCZVUEJVAGZ-INIZCTEOSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1CC(C)(C)C1 ZINC001160209376 865730216 /nfs/dbraw/zinc/73/02/16/865730216.db2.gz KBDGCZVUEJVAGZ-INIZCTEOSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001160386147 865808148 /nfs/dbraw/zinc/80/81/48/865808148.db2.gz JNKFBAKQFHOQAV-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001160386147 865808166 /nfs/dbraw/zinc/80/81/66/865808166.db2.gz JNKFBAKQFHOQAV-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C(C)C)CC1 ZINC001160386147 865808180 /nfs/dbraw/zinc/80/81/80/865808180.db2.gz JNKFBAKQFHOQAV-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](C(C)C)CC1 ZINC001160386147 865808191 /nfs/dbraw/zinc/80/81/91/865808191.db2.gz JNKFBAKQFHOQAV-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCCCF)C1 ZINC001333082427 866405512 /nfs/dbraw/zinc/40/55/12/866405512.db2.gz OCDQCUGQCMMJIO-JCYILVPMSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCCCF)C1 ZINC001333082427 866405519 /nfs/dbraw/zinc/40/55/19/866405519.db2.gz OCDQCUGQCMMJIO-JCYILVPMSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001320144661 866508303 /nfs/dbraw/zinc/50/83/03/866508303.db2.gz DUGOJIIALBGUFH-ZFWWWQNUSA-N 2 1 320.437 1.800 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001320241021 866584087 /nfs/dbraw/zinc/58/40/87/866584087.db2.gz DLAPDVFQZGUZEQ-HNNXBMFYSA-N 2 1 311.470 1.282 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171598 867314972 /nfs/dbraw/zinc/31/49/72/867314972.db2.gz QZFYXZXBTLRMBM-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)(COC)CC1 ZINC001162585400 867661888 /nfs/dbraw/zinc/66/18/88/867661888.db2.gz IXFCPRULMVSCQW-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)CN(C)Cc1cccnc1 ZINC001322178784 868029434 /nfs/dbraw/zinc/02/94/34/868029434.db2.gz ZWHISICZVOKANN-RDJZCZTQSA-N 2 1 314.433 1.116 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001325630895 868197594 /nfs/dbraw/zinc/19/75/94/868197594.db2.gz YGRWMAMQOQBWFD-YYIAUSFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165492336 869618206 /nfs/dbraw/zinc/61/82/06/869618206.db2.gz QTVKGEGMDPIIAG-INIZCTEOSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317049364 870164938 /nfs/dbraw/zinc/16/49/38/870164938.db2.gz QRTGBBQDWKIGJH-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317049364 870164943 /nfs/dbraw/zinc/16/49/43/870164943.db2.gz QRTGBBQDWKIGJH-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001317049364 870164950 /nfs/dbraw/zinc/16/49/50/870164950.db2.gz QRTGBBQDWKIGJH-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001317049364 870164955 /nfs/dbraw/zinc/16/49/55/870164955.db2.gz QRTGBBQDWKIGJH-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP COCC#CC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317257116 870545005 /nfs/dbraw/zinc/54/50/05/870545005.db2.gz SFMLVWJPFNVUBM-OAHLLOKOSA-N 2 1 323.481 1.384 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317297555 870594579 /nfs/dbraw/zinc/59/45/79/870594579.db2.gz XVNVUGRROPPNTE-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317297555 870594594 /nfs/dbraw/zinc/59/45/94/870594594.db2.gz XVNVUGRROPPNTE-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317382599 870746176 /nfs/dbraw/zinc/74/61/76/870746176.db2.gz SXFGAMMHGQBTIP-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317382599 870746192 /nfs/dbraw/zinc/74/61/92/870746192.db2.gz SXFGAMMHGQBTIP-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CCC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001317561610 871078711 /nfs/dbraw/zinc/07/87/11/871078711.db2.gz NNZWHNZCRGHPGB-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204798714 871239035 /nfs/dbraw/zinc/23/90/35/871239035.db2.gz MJZGNXNJOJUCTI-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317804696 871530678 /nfs/dbraw/zinc/53/06/78/871530678.db2.gz DPWWPSIIPUOPKK-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205590699 871646649 /nfs/dbraw/zinc/64/66/49/871646649.db2.gz OKJWWAAAAWCXNA-UHFFFAOYSA-N 2 1 320.437 1.754 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001206947566 872829394 /nfs/dbraw/zinc/82/93/94/872829394.db2.gz AYLNXYWQUYYEOF-IYBDPMFKSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001346252081 873668692 /nfs/dbraw/zinc/66/86/92/873668692.db2.gz REFROSBACRVFRO-KRWDZBQOSA-N 2 1 317.389 1.706 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276586868 874451195 /nfs/dbraw/zinc/45/11/95/874451195.db2.gz QVUPZFPPEOTVEO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001276586868 874451203 /nfs/dbraw/zinc/45/12/03/874451203.db2.gz QVUPZFPPEOTVEO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001276586868 874451211 /nfs/dbraw/zinc/45/12/11/874451211.db2.gz QVUPZFPPEOTVEO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001213925986 876102640 /nfs/dbraw/zinc/10/26/40/876102640.db2.gz ZVUMLMWGALGMKY-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001213925986 876102647 /nfs/dbraw/zinc/10/26/47/876102647.db2.gz ZVUMLMWGALGMKY-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001213925986 876102652 /nfs/dbraw/zinc/10/26/52/876102652.db2.gz ZVUMLMWGALGMKY-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001353316071 877247735 /nfs/dbraw/zinc/24/77/35/877247735.db2.gz MEBDILYCBHVKMJ-QGZVFWFLSA-N 2 1 319.449 1.135 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001220205445 878816699 /nfs/dbraw/zinc/81/66/99/878816699.db2.gz AIIZDIWGUDNWGN-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001220205445 878816711 /nfs/dbraw/zinc/81/67/11/878816711.db2.gz AIIZDIWGUDNWGN-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001220205445 878816722 /nfs/dbraw/zinc/81/67/22/878816722.db2.gz AIIZDIWGUDNWGN-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP N#Cc1ccc2c(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)c[nH]c2c1 ZINC001222502695 880519266 /nfs/dbraw/zinc/51/92/66/880519266.db2.gz PUFLTRGVMUAELA-WMZOPIPTSA-N 2 1 309.417 1.565 20 30 DDEDMP N#Cc1ccc2c(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c[nH]c2c1 ZINC001222502695 880519270 /nfs/dbraw/zinc/51/92/70/880519270.db2.gz PUFLTRGVMUAELA-WMZOPIPTSA-N 2 1 309.417 1.565 20 30 DDEDMP N#Cc1ccc2c(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c[nH]c2c1 ZINC001222502695 880519276 /nfs/dbraw/zinc/51/92/76/880519276.db2.gz PUFLTRGVMUAELA-WMZOPIPTSA-N 2 1 309.417 1.565 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387883 880942392 /nfs/dbraw/zinc/94/23/92/880942392.db2.gz OTPHMQQCFJREFM-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001277502047 885451370 /nfs/dbraw/zinc/45/13/70/885451370.db2.gz ZLOFHHZHBMEDBU-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001277502047 885451386 /nfs/dbraw/zinc/45/13/86/885451386.db2.gz ZLOFHHZHBMEDBU-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001277502047 885451400 /nfs/dbraw/zinc/45/14/00/885451400.db2.gz ZLOFHHZHBMEDBU-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001277655628 886339924 /nfs/dbraw/zinc/33/99/24/886339924.db2.gz QQFJZTDFKHUCOK-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234401482 887937912 /nfs/dbraw/zinc/93/79/12/887937912.db2.gz FKBVELLPPCHEHJ-OWCLPIDISA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401482 887937921 /nfs/dbraw/zinc/93/79/21/887937921.db2.gz FKBVELLPPCHEHJ-OWCLPIDISA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401482 887937933 /nfs/dbraw/zinc/93/79/33/887937933.db2.gz FKBVELLPPCHEHJ-OWCLPIDISA-N 2 1 309.454 1.062 20 30 DDEDMP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCN(CCF)CC1 ZINC001278157198 889915411 /nfs/dbraw/zinc/91/54/11/889915411.db2.gz CZVKKVUOCPQTFX-INIZCTEOSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCF)CC1 ZINC001278157198 889915419 /nfs/dbraw/zinc/91/54/19/889915419.db2.gz CZVKKVUOCPQTFX-INIZCTEOSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCF)CC1 ZINC001278157198 889915425 /nfs/dbraw/zinc/91/54/25/889915425.db2.gz CZVKKVUOCPQTFX-INIZCTEOSA-N 2 1 323.456 1.757 20 30 DDEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H](C)CCCC#N)C[C@H]1C2 ZINC001246856446 892945598 /nfs/dbraw/zinc/94/55/98/892945598.db2.gz DYHBNPDKJDNBOP-GAGVYUBLSA-N 2 1 305.422 1.399 20 30 DDEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]1C2 ZINC001246876343 892962837 /nfs/dbraw/zinc/96/28/37/892962837.db2.gz ZAJAKCQTWMKVBE-YXJUNQHRSA-N 2 1 303.406 1.009 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001366521884 893850289 /nfs/dbraw/zinc/85/02/89/893850289.db2.gz VYKJLGQCHHBERZ-MRXNPFEDSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001366521884 893850313 /nfs/dbraw/zinc/85/03/13/893850313.db2.gz VYKJLGQCHHBERZ-MRXNPFEDSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001366521884 893850326 /nfs/dbraw/zinc/85/03/26/893850326.db2.gz VYKJLGQCHHBERZ-MRXNPFEDSA-N 2 1 318.396 1.340 20 30 DDEDMP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001366538496 893937717 /nfs/dbraw/zinc/93/77/17/893937717.db2.gz GLGKUVLKSNOQMI-MRXNPFEDSA-N 2 1 320.412 1.586 20 30 DDEDMP C=C[C@](C)(O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001252552068 895269418 /nfs/dbraw/zinc/26/94/18/895269418.db2.gz SKWLAPCQBCWBSH-KRWDZBQOSA-N 2 1 322.453 1.104 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001253577511 895905725 /nfs/dbraw/zinc/90/57/25/895905725.db2.gz VXCUQEXCYSIDDP-HNNXBMFYSA-N 2 1 322.474 1.962 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001253577511 895905730 /nfs/dbraw/zinc/90/57/30/895905730.db2.gz VXCUQEXCYSIDDP-HNNXBMFYSA-N 2 1 322.474 1.962 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001390883956 900436895 /nfs/dbraw/zinc/43/68/95/900436895.db2.gz CZMFHIRWGTVPEO-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001390883956 900436902 /nfs/dbraw/zinc/43/69/02/900436902.db2.gz CZMFHIRWGTVPEO-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001390883956 900436905 /nfs/dbraw/zinc/43/69/05/900436905.db2.gz CZMFHIRWGTVPEO-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC001391022223 900705834 /nfs/dbraw/zinc/70/58/34/900705834.db2.gz LBQVMEJDWRKIJH-UHFFFAOYSA-N 2 1 314.433 1.592 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001263872601 900789047 /nfs/dbraw/zinc/78/90/47/900789047.db2.gz QBULBQFTILKPHX-BZUAXINKSA-N 2 1 314.433 1.262 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264078377 900914247 /nfs/dbraw/zinc/91/42/47/900914247.db2.gz JBWKYDILTFAXLW-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001264380805 901066386 /nfs/dbraw/zinc/06/63/86/901066386.db2.gz REKZBYCLIQCFHQ-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001265175613 901665558 /nfs/dbraw/zinc/66/55/58/901665558.db2.gz JORDISOZTCLUSH-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001265175613 901665569 /nfs/dbraw/zinc/66/55/69/901665569.db2.gz JORDISOZTCLUSH-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265391101 901959537 /nfs/dbraw/zinc/95/95/37/901959537.db2.gz UAVVIAUBJYPEJJ-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265391101 901959547 /nfs/dbraw/zinc/95/95/47/901959547.db2.gz UAVVIAUBJYPEJJ-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265391101 901959559 /nfs/dbraw/zinc/95/95/59/901959559.db2.gz UAVVIAUBJYPEJJ-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265591634 902171264 /nfs/dbraw/zinc/17/12/64/902171264.db2.gz YIERNRKNYJHSJJ-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265591634 902171280 /nfs/dbraw/zinc/17/12/80/902171280.db2.gz YIERNRKNYJHSJJ-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265591634 902171293 /nfs/dbraw/zinc/17/12/93/902171293.db2.gz YIERNRKNYJHSJJ-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001265647544 902246960 /nfs/dbraw/zinc/24/69/60/902246960.db2.gz QBWPDEYZUQPVPG-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265647544 902246969 /nfs/dbraw/zinc/24/69/69/902246969.db2.gz QBWPDEYZUQPVPG-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001265647544 902246976 /nfs/dbraw/zinc/24/69/76/902246976.db2.gz QBWPDEYZUQPVPG-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001280072966 903504741 /nfs/dbraw/zinc/50/47/41/903504741.db2.gz KNRVRIHKKAUTRG-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CC[N@@H+](C)CCC)CO2 ZINC001280961303 904246901 /nfs/dbraw/zinc/24/69/01/904246901.db2.gz DIFUFAIHINNUMW-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CC[N@H+](C)CCC)CO2 ZINC001280961303 904246913 /nfs/dbraw/zinc/24/69/13/904246913.db2.gz DIFUFAIHINNUMW-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC001371212893 904497465 /nfs/dbraw/zinc/49/74/65/904497465.db2.gz OBVRTIJBAXSQRX-CQSZACIVSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001281808164 905234999 /nfs/dbraw/zinc/23/49/99/905234999.db2.gz FYEUUWZMRSGWGR-UHFFFAOYSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCCC[NH+]1CCC(CO)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001281809476 905238656 /nfs/dbraw/zinc/23/86/56/905238656.db2.gz ZGKXWXUEASULSE-UHFFFAOYSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001281900699 905300415 /nfs/dbraw/zinc/30/04/15/905300415.db2.gz ABXGFCRDYJDRNA-FGTMMUONSA-N 2 1 311.429 1.476 20 30 DDEDMP C#CCC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001281975413 905382063 /nfs/dbraw/zinc/38/20/63/905382063.db2.gz MYHNNGDQZULLSJ-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281975413 905382081 /nfs/dbraw/zinc/38/20/81/905382081.db2.gz MYHNNGDQZULLSJ-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281975413 905382096 /nfs/dbraw/zinc/38/20/96/905382096.db2.gz MYHNNGDQZULLSJ-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001282463666 905801353 /nfs/dbraw/zinc/80/13/53/905801353.db2.gz AXHJVSHVSUCKJI-CQSZACIVSA-N 2 1 307.442 1.071 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001283078828 906586244 /nfs/dbraw/zinc/58/62/44/906586244.db2.gz URFKRCCJTNJKIK-WKILWMFISA-N 2 1 309.454 1.159 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001283079224 906586975 /nfs/dbraw/zinc/58/69/75/906586975.db2.gz GDDJTLPYEBGGED-JYJNAYRXSA-N 2 1 316.449 1.814 20 30 DDEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001283250147 906993205 /nfs/dbraw/zinc/99/32/05/906993205.db2.gz UTISYJUCACJAJP-OAHLLOKOSA-N 2 1 304.438 1.904 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001284072317 908428036 /nfs/dbraw/zinc/42/80/36/908428036.db2.gz RAVLBGMWSJVSBI-HKUYNNGSSA-N 2 1 317.477 1.999 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001394008037 908520426 /nfs/dbraw/zinc/52/04/26/908520426.db2.gz ZJWCHHBXXJJFTC-NWDGAFQWSA-N 2 1 320.275 1.720 20 30 DDEDMP CCC[N@@H+](CC)CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000083052901 353705461 /nfs/dbraw/zinc/70/54/61/353705461.db2.gz VSHNKYYDNITQQD-UHFFFAOYSA-N 2 1 322.453 1.840 20 30 DDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594446965 356220010 /nfs/dbraw/zinc/22/00/10/356220010.db2.gz BUXDSBIOUMTKNU-APIJFGDWSA-N 2 1 310.442 1.012 20 30 DDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594446965 356220011 /nfs/dbraw/zinc/22/00/11/356220011.db2.gz BUXDSBIOUMTKNU-APIJFGDWSA-N 2 1 310.442 1.012 20 30 DDEDMP C[N@H+](CCCO)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595319965 356448694 /nfs/dbraw/zinc/44/86/94/356448694.db2.gz DYWRLWROYBOMJT-UHFFFAOYSA-N 2 1 301.434 1.879 20 30 DDEDMP C[N@@H+](CCCO)C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595319965 356448698 /nfs/dbraw/zinc/44/86/98/356448698.db2.gz DYWRLWROYBOMJT-UHFFFAOYSA-N 2 1 301.434 1.879 20 30 DDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595615411 356577694 /nfs/dbraw/zinc/57/76/94/356577694.db2.gz QSCWTJPDWYATKS-OAHLLOKOSA-N 2 1 306.454 1.601 20 30 DDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595615411 356577698 /nfs/dbraw/zinc/57/76/98/356577698.db2.gz QSCWTJPDWYATKS-OAHLLOKOSA-N 2 1 306.454 1.601 20 30 DDEDMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599315487 357890369 /nfs/dbraw/zinc/89/03/69/357890369.db2.gz ILLBOOUXAIYQLW-MRXNPFEDSA-N 2 1 309.454 1.474 20 30 DDEDMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599315487 357890373 /nfs/dbraw/zinc/89/03/73/357890373.db2.gz ILLBOOUXAIYQLW-MRXNPFEDSA-N 2 1 309.454 1.474 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCn1cc(-c2ccc(C#N)cc2)nn1 ZINC000600975978 358366423 /nfs/dbraw/zinc/36/64/23/358366423.db2.gz GVVLJGDWGNZWFG-UHFFFAOYSA-N 2 1 312.421 1.700 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCn1cc(-c2ccc(C#N)cc2)nn1 ZINC000600975978 358366430 /nfs/dbraw/zinc/36/64/30/358366430.db2.gz GVVLJGDWGNZWFG-UHFFFAOYSA-N 2 1 312.421 1.700 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878980 359262283 /nfs/dbraw/zinc/26/22/83/359262283.db2.gz XJICCEQONKLMAH-AWEZNQCLSA-N 2 1 304.438 1.355 20 30 DDEDMP C[C@H]([NH+]=C([O-])NC[C@@H]1CCc2nccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958008 223053682 /nfs/dbraw/zinc/05/36/82/223053682.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 1 317.437 1.600 20 30 DDEDMP C[C@H](NC(=O)NC[C@@H]1CCc2nccn2C1)C1=CC[N@H+](C)CC1 ZINC000329958008 223053686 /nfs/dbraw/zinc/05/36/86/223053686.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 1 317.437 1.600 20 30 DDEDMP C[C@H](NC(=O)NC[C@@H]1CCc2nccn2C1)C1=CC[N@@H+](C)CC1 ZINC000329958008 223053689 /nfs/dbraw/zinc/05/36/89/223053689.db2.gz PTQRPYIOXHNGBU-KBPBESRZSA-N 2 1 317.437 1.600 20 30 DDEDMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1C#N ZINC000281573891 216393776 /nfs/dbraw/zinc/39/37/76/216393776.db2.gz CSMQXZPKCPXAFK-QGZVFWFLSA-N 2 1 317.433 1.893 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NC(C)=O)cc1 ZINC000170909900 285284333 /nfs/dbraw/zinc/28/43/33/285284333.db2.gz IQUOTJWNHVXOBD-INIZCTEOSA-N 2 1 317.437 1.534 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247224404 408432072 /nfs/dbraw/zinc/43/20/72/408432072.db2.gz MLABFVDUKJOACL-JKSUJKDBSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247224404 408432078 /nfs/dbraw/zinc/43/20/78/408432078.db2.gz MLABFVDUKJOACL-JKSUJKDBSA-N 2 1 303.406 1.181 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC000289466254 409277920 /nfs/dbraw/zinc/27/79/20/409277920.db2.gz OYXFDQPAJKOLQA-QGZVFWFLSA-N 2 1 317.481 1.745 20 30 DDEDMP C[C@@H]1[C@H](C)[NH+](C)CCN1CC#CCN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000341911062 411083979 /nfs/dbraw/zinc/08/39/79/411083979.db2.gz SOTSONDKHDEUHO-FZDBZEDMSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC#CCN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000341911062 411083985 /nfs/dbraw/zinc/08/39/85/411083985.db2.gz SOTSONDKHDEUHO-FZDBZEDMSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC#CCN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000341911062 411083990 /nfs/dbraw/zinc/08/39/90/411083990.db2.gz SOTSONDKHDEUHO-FZDBZEDMSA-N 2 1 306.498 1.039 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346089 422968599 /nfs/dbraw/zinc/96/85/99/422968599.db2.gz TYEPUQMJHVHRON-ULQDDVLXSA-N 2 1 321.465 1.405 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367308000 418583520 /nfs/dbraw/zinc/58/35/20/418583520.db2.gz BBHGEPDSAMSESE-LSDHHAIUSA-N 2 1 305.466 1.873 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261998954 222267554 /nfs/dbraw/zinc/26/75/54/222267554.db2.gz TVPXMQMSSLSDHG-CWRNSKLLSA-N 2 1 308.470 1.593 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NCc1sc(C)nc1C ZINC000262358244 222277354 /nfs/dbraw/zinc/27/73/54/222277354.db2.gz GHDOYBKMVHEEKY-UHFFFAOYSA-N 2 1 306.439 1.630 20 30 DDEDMP COCCNC(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000264108419 222320198 /nfs/dbraw/zinc/32/01/98/222320198.db2.gz QABLYBJMMUEOME-UHFFFAOYSA-N 2 1 304.438 1.374 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000368016525 418674771 /nfs/dbraw/zinc/67/47/71/418674771.db2.gz CFIQSTLBGDWTGV-RDJZCZTQSA-N 2 1 320.481 1.763 20 30 DDEDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C#N)c(F)c2)CC1(C)C ZINC000421352657 419577854 /nfs/dbraw/zinc/57/78/54/419577854.db2.gz DMWXLFHPOFYATO-UHFFFAOYSA-N 2 1 304.413 1.813 20 30 DDEDMP C=CC[C@@H](CO)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720527 422588306 /nfs/dbraw/zinc/58/83/06/422588306.db2.gz LEAJQEDJOZEDDS-MSOLQXFVSA-N 2 1 304.434 1.398 20 30 DDEDMP C=CC[C@@H](CO)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720527 422588308 /nfs/dbraw/zinc/58/83/08/422588308.db2.gz LEAJQEDJOZEDDS-MSOLQXFVSA-N 2 1 304.434 1.398 20 30 DDEDMP C=CCCn1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)nn1 ZINC000657437035 424346180 /nfs/dbraw/zinc/34/61/80/424346180.db2.gz OJPYSAXTSCNTNK-UHFFFAOYSA-N 2 1 320.485 1.360 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1c2ccccc2O[C@@H]1C ZINC000262274731 276371249 /nfs/dbraw/zinc/37/12/49/276371249.db2.gz JDSFIBTVYVHVAT-IOASZLSFSA-N 2 1 302.422 1.897 20 30 DDEDMP C[C@@H](CC[NH2+]Cc1cnc2c(C#N)cnn2c1)[NH+]1CCCCC1 ZINC000582003253 325951796 /nfs/dbraw/zinc/95/17/96/325951796.db2.gz CGHYQQHOHCXUJW-AWEZNQCLSA-N 2 1 312.421 1.955 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000491710243 526809062 /nfs/dbraw/zinc/80/90/62/526809062.db2.gz RESGRNUCPFGVSN-IXDOHACOSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000491710243 526809073 /nfs/dbraw/zinc/80/90/73/526809073.db2.gz RESGRNUCPFGVSN-IXDOHACOSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000491710243 526809081 /nfs/dbraw/zinc/80/90/81/526809081.db2.gz RESGRNUCPFGVSN-IXDOHACOSA-N 2 1 320.481 1.313 20 30 DDEDMP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329945513 529086130 /nfs/dbraw/zinc/08/61/30/529086130.db2.gz JCHJICVGVAEBIK-KBPBESRZSA-N 2 1 305.426 1.433 20 30 DDEDMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329945513 529086137 /nfs/dbraw/zinc/08/61/37/529086137.db2.gz JCHJICVGVAEBIK-KBPBESRZSA-N 2 1 305.426 1.433 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000972006394 695138115 /nfs/dbraw/zinc/13/81/15/695138115.db2.gz SFIASYDAUYJUGS-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339107 695220613 /nfs/dbraw/zinc/22/06/13/695220613.db2.gz LDBIUQOZSIYQHD-PBHICJAKSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972339107 695220615 /nfs/dbraw/zinc/22/06/15/695220615.db2.gz LDBIUQOZSIYQHD-PBHICJAKSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972339107 695220617 /nfs/dbraw/zinc/22/06/17/695220617.db2.gz LDBIUQOZSIYQHD-PBHICJAKSA-N 2 1 311.445 1.918 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974655181 695705033 /nfs/dbraw/zinc/70/50/33/695705033.db2.gz JFJMGGJQSFEUQG-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974655181 695705035 /nfs/dbraw/zinc/70/50/35/695705035.db2.gz JFJMGGJQSFEUQG-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974655181 695705037 /nfs/dbraw/zinc/70/50/37/695705037.db2.gz JFJMGGJQSFEUQG-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974655181 695705039 /nfs/dbraw/zinc/70/50/39/695705039.db2.gz JFJMGGJQSFEUQG-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981687884 696876003 /nfs/dbraw/zinc/87/60/03/696876003.db2.gz RWCDNSKASMUFKB-QGZVFWFLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CCOC)CCCC1 ZINC000156932363 696970389 /nfs/dbraw/zinc/97/03/89/696970389.db2.gz PNHNSRKRPRRQLC-HNNXBMFYSA-N 2 1 310.486 1.972 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981153361 697019926 /nfs/dbraw/zinc/01/99/26/697019926.db2.gz XZFOSJDDNLTVOO-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153361 697019928 /nfs/dbraw/zinc/01/99/28/697019928.db2.gz XZFOSJDDNLTVOO-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981153361 697019930 /nfs/dbraw/zinc/01/99/30/697019930.db2.gz XZFOSJDDNLTVOO-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000981176204 697025932 /nfs/dbraw/zinc/02/59/32/697025932.db2.gz PFQMFKJLJHOCOA-QGZVFWFLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982117031 697034675 /nfs/dbraw/zinc/03/46/75/697034675.db2.gz XOWXOZLQHRSONU-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982117031 697034676 /nfs/dbraw/zinc/03/46/76/697034676.db2.gz XOWXOZLQHRSONU-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982117031 697034678 /nfs/dbraw/zinc/03/46/78/697034678.db2.gz XOWXOZLQHRSONU-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245227 697071829 /nfs/dbraw/zinc/07/18/29/697071829.db2.gz FZQQKLLVAKYYLQ-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245227 697071831 /nfs/dbraw/zinc/07/18/31/697071831.db2.gz FZQQKLLVAKYYLQ-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245227 697071833 /nfs/dbraw/zinc/07/18/33/697071833.db2.gz FZQQKLLVAKYYLQ-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245227 697071834 /nfs/dbraw/zinc/07/18/34/697071834.db2.gz FZQQKLLVAKYYLQ-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000981482705 697107937 /nfs/dbraw/zinc/10/79/37/697107937.db2.gz AHWGLXDJRBFKOX-OAHLLOKOSA-N 2 1 314.433 1.381 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000981482705 697107939 /nfs/dbraw/zinc/10/79/39/697107939.db2.gz AHWGLXDJRBFKOX-OAHLLOKOSA-N 2 1 314.433 1.381 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982556521 697149739 /nfs/dbraw/zinc/14/97/39/697149739.db2.gz HBBBAPDLLCFILX-ATLSCFEFSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982556521 697149741 /nfs/dbraw/zinc/14/97/41/697149741.db2.gz HBBBAPDLLCFILX-ATLSCFEFSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982556521 697149742 /nfs/dbraw/zinc/14/97/42/697149742.db2.gz HBBBAPDLLCFILX-ATLSCFEFSA-N 2 1 305.466 1.541 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC1=CCCCCC1 ZINC000184816552 697508776 /nfs/dbraw/zinc/50/87/76/697508776.db2.gz XTRMBZINWSOLLT-UHFFFAOYSA-N 2 1 308.470 1.894 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@](C)(O)c1ccccc1 ZINC000186890820 697539203 /nfs/dbraw/zinc/53/92/03/697539203.db2.gz GIMVRTFRVXKLKM-AEFFLSMTSA-N 2 1 318.465 1.673 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000987271726 698067438 /nfs/dbraw/zinc/06/74/38/698067438.db2.gz ZYOUEJUSIGEZHN-XJKSGUPXSA-N 2 1 309.373 1.093 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1c(C)noc1C ZINC000269694841 698524438 /nfs/dbraw/zinc/52/44/38/698524438.db2.gz KPWVHTVEJNZKLD-SMDDNHRTSA-N 2 1 307.442 1.784 20 30 DDEDMP CCOc1ncccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000303877527 698608565 /nfs/dbraw/zinc/60/85/65/698608565.db2.gz FLCWULWLEGENGI-CQSZACIVSA-N 2 1 305.426 1.369 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000303891857 698609753 /nfs/dbraw/zinc/60/97/53/698609753.db2.gz QYMBUMGTZXNCAT-JFIYKMOQSA-N 3 1 323.529 1.886 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000303891858 698610026 /nfs/dbraw/zinc/61/00/26/698610026.db2.gz QYMBUMGTZXNCAT-JZXOWHBKSA-N 3 1 323.529 1.886 20 30 DDEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000398144935 699119051 /nfs/dbraw/zinc/11/90/51/699119051.db2.gz NQBLYVGNZDOXLZ-DOTOQJQBSA-N 2 1 314.433 1.516 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000398144935 699119053 /nfs/dbraw/zinc/11/90/53/699119053.db2.gz NQBLYVGNZDOXLZ-DOTOQJQBSA-N 2 1 314.433 1.516 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000764660325 700981277 /nfs/dbraw/zinc/98/12/77/700981277.db2.gz RKGKKPCKOOHMDN-YOEHRIQHSA-N 2 1 301.434 1.741 20 30 DDEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852870066 704155391 /nfs/dbraw/zinc/15/53/91/704155391.db2.gz OXZZQGJIPPYOQN-KRWDZBQOSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000836206935 707416432 /nfs/dbraw/zinc/41/64/32/707416432.db2.gz NGJNTCNZTYEBBK-UHFFFAOYSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000836206935 707416453 /nfs/dbraw/zinc/41/64/53/707416453.db2.gz NGJNTCNZTYEBBK-UHFFFAOYSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000836206935 707416457 /nfs/dbraw/zinc/41/64/57/707416457.db2.gz NGJNTCNZTYEBBK-UHFFFAOYSA-N 2 1 322.497 1.895 20 30 DDEDMP COCC[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)CCOC)c1 ZINC000877982785 706257785 /nfs/dbraw/zinc/25/77/85/706257785.db2.gz CPTHUTKGKORDNQ-UHFFFAOYSA-N 2 1 305.422 1.715 20 30 DDEDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884316283 708240692 /nfs/dbraw/zinc/24/06/92/708240692.db2.gz OETDPQJGLJRWNG-SWOOZJHCSA-N 2 1 316.449 1.068 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC[NH+](C)CC1 ZINC000886575583 708779734 /nfs/dbraw/zinc/77/97/34/708779734.db2.gz ARGYEVBKMFWATB-OAHLLOKOSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCN(C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000886582534 708782173 /nfs/dbraw/zinc/78/21/73/708782173.db2.gz YLXGUDWFUXMLJO-OWCLPIDISA-N 2 1 305.466 1.804 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000886593055 708785380 /nfs/dbraw/zinc/78/53/80/708785380.db2.gz HJGCNULJOSBRKN-KRWDZBQOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCN(C(=S)NC[C@H]1CCC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000899614109 709126638 /nfs/dbraw/zinc/12/66/38/709126638.db2.gz XJXLEWWPROTVHW-MRXNPFEDSA-N 2 1 322.522 1.375 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000890364198 709838017 /nfs/dbraw/zinc/83/80/17/709838017.db2.gz XWCZAQMNFAAWJD-HOTGVXAUSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000890364198 709838027 /nfs/dbraw/zinc/83/80/27/709838027.db2.gz XWCZAQMNFAAWJD-HOTGVXAUSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000890364198 709838032 /nfs/dbraw/zinc/83/80/32/709838032.db2.gz XWCZAQMNFAAWJD-HOTGVXAUSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000890364198 709838036 /nfs/dbraw/zinc/83/80/36/709838036.db2.gz XWCZAQMNFAAWJD-HOTGVXAUSA-N 2 1 306.454 1.208 20 30 DDEDMP N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000903454334 711131999 /nfs/dbraw/zinc/13/19/99/711131999.db2.gz YCDQTYSYCJWOFY-MRXNPFEDSA-N 2 1 304.825 1.691 20 30 DDEDMP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000903454334 711132003 /nfs/dbraw/zinc/13/20/03/711132003.db2.gz YCDQTYSYCJWOFY-MRXNPFEDSA-N 2 1 304.825 1.691 20 30 DDEDMP N#CCc1cccc2c1CC[N@@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903776863 711276434 /nfs/dbraw/zinc/27/64/34/711276434.db2.gz XFMLHWPAOKYFEZ-IEBWSBKVSA-N 2 1 311.429 1.879 20 30 DDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@@H+](C)CC(C)(C)C)c1C#N ZINC000895597030 711553845 /nfs/dbraw/zinc/55/38/45/711553845.db2.gz CKEHMCDLHDJZPU-UHFFFAOYSA-N 2 1 320.441 1.350 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000914150194 713348817 /nfs/dbraw/zinc/34/88/17/713348817.db2.gz MFFBLAUTTFDPAQ-HZPDHXFCSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000923188429 714265265 /nfs/dbraw/zinc/26/52/65/714265265.db2.gz BLTJGEBVFQMKGS-HNNXBMFYSA-N 2 1 306.454 1.256 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923328367 714316116 /nfs/dbraw/zinc/31/61/16/714316116.db2.gz SHYGBWJASWONOA-INIZCTEOSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923354240 714324613 /nfs/dbraw/zinc/32/46/13/714324613.db2.gz BANDJDXLPKNVCR-AEFFLSMTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923354240 714324615 /nfs/dbraw/zinc/32/46/15/714324615.db2.gz BANDJDXLPKNVCR-AEFFLSMTSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)(C)C ZINC000932463345 714337354 /nfs/dbraw/zinc/33/73/54/714337354.db2.gz BJIRTXOIJKJVDH-MRXNPFEDSA-N 2 1 323.481 1.193 20 30 DDEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000923409197 714346390 /nfs/dbraw/zinc/34/63/90/714346390.db2.gz LBDQDQKVNBQRFQ-NXHRZFHOSA-N 2 1 315.417 1.229 20 30 DDEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000923409197 714346394 /nfs/dbraw/zinc/34/63/94/714346394.db2.gz LBDQDQKVNBQRFQ-NXHRZFHOSA-N 2 1 315.417 1.229 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000923564621 714406691 /nfs/dbraw/zinc/40/66/91/714406691.db2.gz ALNAWISBDIZVMF-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000923564621 714406694 /nfs/dbraw/zinc/40/66/94/714406694.db2.gz ALNAWISBDIZVMF-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000923564621 714406697 /nfs/dbraw/zinc/40/66/97/714406697.db2.gz ALNAWISBDIZVMF-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000923564621 714406699 /nfs/dbraw/zinc/40/66/99/714406699.db2.gz ALNAWISBDIZVMF-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000925020093 714729520 /nfs/dbraw/zinc/72/95/20/714729520.db2.gz NTSQFOWPIBDOLU-CQSZACIVSA-N 2 1 308.470 1.847 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000926125524 715009624 /nfs/dbraw/zinc/00/96/24/715009624.db2.gz JRABHAWXUMFIDG-AWEZNQCLSA-N 2 1 310.463 2.000 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000959852030 716319499 /nfs/dbraw/zinc/31/94/99/716319499.db2.gz UUVRIXASXAKOSZ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959852030 716319502 /nfs/dbraw/zinc/31/95/02/716319502.db2.gz UUVRIXASXAKOSZ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959852030 716319507 /nfs/dbraw/zinc/31/95/07/716319507.db2.gz UUVRIXASXAKOSZ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959873003 716329499 /nfs/dbraw/zinc/32/94/99/716329499.db2.gz OFOBOSWUCXBGQW-ZSHCYNCHSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960775464 716684491 /nfs/dbraw/zinc/68/44/91/716684491.db2.gz PELRUNVIEBOIQD-WDNDVIMCSA-N 2 1 309.841 1.414 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960775464 716684493 /nfs/dbraw/zinc/68/44/93/716684493.db2.gz PELRUNVIEBOIQD-WDNDVIMCSA-N 2 1 309.841 1.414 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940747920 716943030 /nfs/dbraw/zinc/94/30/30/716943030.db2.gz RSGIDWQAZXOJFB-DLBZAZTESA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756598 716946383 /nfs/dbraw/zinc/94/63/83/716946383.db2.gz CTYQPCKWUFNBEW-GVDBMIGSSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756598 716946386 /nfs/dbraw/zinc/94/63/86/716946386.db2.gz CTYQPCKWUFNBEW-GVDBMIGSSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756598 716946390 /nfs/dbraw/zinc/94/63/90/716946390.db2.gz CTYQPCKWUFNBEW-GVDBMIGSSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C(C)(C)C1 ZINC000940808107 716969875 /nfs/dbraw/zinc/96/98/75/716969875.db2.gz YTSRDUMOPQSIJN-DLBZAZTESA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)C(C)(C)C1 ZINC000940808107 716969879 /nfs/dbraw/zinc/96/98/79/716969879.db2.gz YTSRDUMOPQSIJN-DLBZAZTESA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C(C)(C)C1 ZINC000940808107 716969883 /nfs/dbraw/zinc/96/98/83/716969883.db2.gz YTSRDUMOPQSIJN-DLBZAZTESA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C(C)(C)C1 ZINC000940808107 716969887 /nfs/dbraw/zinc/96/98/87/716969887.db2.gz YTSRDUMOPQSIJN-DLBZAZTESA-N 2 1 315.461 1.324 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843158 716986567 /nfs/dbraw/zinc/98/65/67/716986567.db2.gz XYWOVTVAQIATCI-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843158 716986570 /nfs/dbraw/zinc/98/65/70/716986570.db2.gz XYWOVTVAQIATCI-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843158 716986572 /nfs/dbraw/zinc/98/65/72/716986572.db2.gz XYWOVTVAQIATCI-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC000962551587 717506918 /nfs/dbraw/zinc/50/69/18/717506918.db2.gz HVDHMLHRPQIMDI-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC000962551587 717506924 /nfs/dbraw/zinc/50/69/24/717506924.db2.gz HVDHMLHRPQIMDI-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC000962551587 717506929 /nfs/dbraw/zinc/50/69/29/717506929.db2.gz HVDHMLHRPQIMDI-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCC)C[C@H]32)CC1 ZINC000962773659 717582855 /nfs/dbraw/zinc/58/28/55/717582855.db2.gz JUNCLHXZWQESCQ-FVQHAEBGSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942444163 717678604 /nfs/dbraw/zinc/67/86/04/717678604.db2.gz LVKVFACDGNRQQP-HOCLYGCPSA-N 2 1 323.400 1.341 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943289966 718069008 /nfs/dbraw/zinc/06/90/08/718069008.db2.gz ULBMNLDQMMFVMH-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943289966 718069010 /nfs/dbraw/zinc/06/90/10/718069010.db2.gz ULBMNLDQMMFVMH-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@H]2C)CC1 ZINC000945176987 718414706 /nfs/dbraw/zinc/41/47/06/718414706.db2.gz AFQDDUKCXMZGDW-WBVHZDCISA-N 2 1 323.456 1.518 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903344 718702928 /nfs/dbraw/zinc/70/29/28/718702928.db2.gz FIQIWKJDFIQEEF-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947471327 719176317 /nfs/dbraw/zinc/17/63/17/719176317.db2.gz ARQINBHJUGJVTI-UKRRQHHQSA-N 2 1 310.401 1.859 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947497574 719187517 /nfs/dbraw/zinc/18/75/17/719187517.db2.gz JPUVQQZQKLXMIE-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647163 719616129 /nfs/dbraw/zinc/61/61/29/719616129.db2.gz FCJHSNQCPBMQPZ-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914540 719864772 /nfs/dbraw/zinc/86/47/72/719864772.db2.gz WQDRTGRFLFDTMI-KRWDZBQOSA-N 2 1 317.477 1.856 20 30 DDEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968914625 719865592 /nfs/dbraw/zinc/86/55/92/719865592.db2.gz XZRISMUFLHYOTB-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968914625 719865599 /nfs/dbraw/zinc/86/55/99/719865599.db2.gz XZRISMUFLHYOTB-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968914625 719865606 /nfs/dbraw/zinc/86/56/06/719865606.db2.gz XZRISMUFLHYOTB-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968914625 719865613 /nfs/dbraw/zinc/86/56/13/719865613.db2.gz XZRISMUFLHYOTB-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998188 719917590 /nfs/dbraw/zinc/91/75/90/719917590.db2.gz OIUZRXYAQDAWCT-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969829152 720313843 /nfs/dbraw/zinc/31/38/43/720313843.db2.gz AFGOYIMASJSYAS-QAPCUYQASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970026551 720602921 /nfs/dbraw/zinc/60/29/21/720602921.db2.gz GHWBHCRTVGFDQI-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338359 720717996 /nfs/dbraw/zinc/71/79/96/720717996.db2.gz LNFMQQIVHVXXSG-UKRRQHHQSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338977 720719238 /nfs/dbraw/zinc/71/92/38/720719238.db2.gz QDEDDBFKOLMIBE-ZFWWWQNUSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970419627 720754753 /nfs/dbraw/zinc/75/47/53/720754753.db2.gz FRWRZLBXXZDBMW-DZGCQCFKSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571871 721359958 /nfs/dbraw/zinc/35/99/58/721359958.db2.gz ZRIIZZODKISANB-CZUORRHYSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571871 721359962 /nfs/dbraw/zinc/35/99/62/721359962.db2.gz ZRIIZZODKISANB-CZUORRHYSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000971571871 721359966 /nfs/dbraw/zinc/35/99/66/721359966.db2.gz ZRIIZZODKISANB-CZUORRHYSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000971571871 721359970 /nfs/dbraw/zinc/35/99/70/721359970.db2.gz ZRIIZZODKISANB-CZUORRHYSA-N 2 1 317.437 1.509 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694813 735402136 /nfs/dbraw/zinc/40/21/36/735402136.db2.gz LSOHMGINOZGBGB-QGZVFWFLSA-N 2 1 317.477 1.570 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001020517793 732457066 /nfs/dbraw/zinc/45/70/66/732457066.db2.gz NWAHDHFIQLPFIT-MGPQQGTHSA-N 2 1 322.840 1.743 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)C)CC1 ZINC001039042523 732493650 /nfs/dbraw/zinc/49/36/50/732493650.db2.gz SISAASUMKUDEDH-QGZVFWFLSA-N 2 1 305.466 1.568 20 30 DDEDMP N#Cc1ccccc1CN[C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001020635122 732582104 /nfs/dbraw/zinc/58/21/04/732582104.db2.gz GEZUCYUZCNNXMH-SHTZXODSSA-N 2 1 309.373 1.261 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167096078 732587547 /nfs/dbraw/zinc/58/75/47/732587547.db2.gz SJBGZURPTKHXRF-MSOLQXFVSA-N 2 1 313.445 1.451 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167458570 733626947 /nfs/dbraw/zinc/62/69/47/733626947.db2.gz GPSGYSWMNXAPHA-UHFFFAOYSA-N 2 1 302.422 1.481 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474710 734568920 /nfs/dbraw/zinc/56/89/20/734568920.db2.gz WCKDDVJGERVBAF-MSOLQXFVSA-N 2 1 317.477 1.951 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001098571940 734872076 /nfs/dbraw/zinc/87/20/76/734872076.db2.gz ZGAJUVMRTMCKEA-HOTGVXAUSA-N 2 1 323.481 1.331 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC=C)C1 ZINC001023421831 735224919 /nfs/dbraw/zinc/22/49/19/735224919.db2.gz IHIWPLWLJGKNPQ-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC=C)C1 ZINC001023421831 735224923 /nfs/dbraw/zinc/22/49/23/735224923.db2.gz IHIWPLWLJGKNPQ-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC=C)C1 ZINC001023421831 735224929 /nfs/dbraw/zinc/22/49/29/735224929.db2.gz IHIWPLWLJGKNPQ-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC=C)C1 ZINC001023421831 735224935 /nfs/dbraw/zinc/22/49/35/735224935.db2.gz IHIWPLWLJGKNPQ-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501624 735880850 /nfs/dbraw/zinc/88/08/50/735880850.db2.gz GFWAPJAPADEOAR-KRWDZBQOSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCF)CC1 ZINC001024813344 736108721 /nfs/dbraw/zinc/10/87/21/736108721.db2.gz ZTCKKWNPOPERNL-QGZVFWFLSA-N 2 1 323.456 1.662 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525625 736737579 /nfs/dbraw/zinc/73/75/79/736737579.db2.gz QJERENALOYQSLR-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001019771595 736918995 /nfs/dbraw/zinc/91/89/95/736918995.db2.gz UABWTAAVUARLLV-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026140047 737139802 /nfs/dbraw/zinc/13/98/02/737139802.db2.gz BQIOJZNNYGFRKT-MTSZKFMLSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001027494121 738350180 /nfs/dbraw/zinc/35/01/80/738350180.db2.gz VLMOIDGXKDPDDV-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001027494121 738350184 /nfs/dbraw/zinc/35/01/84/738350184.db2.gz VLMOIDGXKDPDDV-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001028234541 739207532 /nfs/dbraw/zinc/20/75/32/739207532.db2.gz BESBRPAEYHLIIX-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(=C)C)C1 ZINC001028602205 739779922 /nfs/dbraw/zinc/77/99/22/739779922.db2.gz ZTGMYTBLXJSTHM-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001028602205 739779923 /nfs/dbraw/zinc/77/99/23/739779923.db2.gz ZTGMYTBLXJSTHM-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(=C)C)C1 ZINC001028602205 739779924 /nfs/dbraw/zinc/77/99/24/739779924.db2.gz ZTGMYTBLXJSTHM-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(=C)C)C1 ZINC001028602205 739779925 /nfs/dbraw/zinc/77/99/25/739779925.db2.gz ZTGMYTBLXJSTHM-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(=C)C)C1 ZINC001028602205 739779926 /nfs/dbraw/zinc/77/99/26/739779926.db2.gz ZTGMYTBLXJSTHM-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028625617 739800115 /nfs/dbraw/zinc/80/01/15/739800115.db2.gz VWXGEZSVTKREFY-INIZCTEOSA-N 2 1 303.450 1.324 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035417189 751498354 /nfs/dbraw/zinc/49/83/54/751498354.db2.gz RUELEAMTCILGFI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035417189 751498357 /nfs/dbraw/zinc/49/83/57/751498357.db2.gz RUELEAMTCILGFI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035417189 751498359 /nfs/dbraw/zinc/49/83/59/751498359.db2.gz RUELEAMTCILGFI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799552 740055849 /nfs/dbraw/zinc/05/58/49/740055849.db2.gz CRBAIGIGCMTHNU-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799552 740055854 /nfs/dbraw/zinc/05/58/54/740055854.db2.gz CRBAIGIGCMTHNU-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602509 740672808 /nfs/dbraw/zinc/67/28/08/740672808.db2.gz SIVHVRFGHXXSKD-RCCFBDPRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602509 740672811 /nfs/dbraw/zinc/67/28/11/740672811.db2.gz SIVHVRFGHXXSKD-RCCFBDPRSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140253 741058154 /nfs/dbraw/zinc/05/81/54/741058154.db2.gz BOCMESACMWSZEC-SJORKVTESA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140253 741058156 /nfs/dbraw/zinc/05/81/56/741058156.db2.gz BOCMESACMWSZEC-SJORKVTESA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208154 741108478 /nfs/dbraw/zinc/10/84/78/741108478.db2.gz OBYAZLNUHQRFNZ-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208154 741108480 /nfs/dbraw/zinc/10/84/80/741108480.db2.gz OBYAZLNUHQRFNZ-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208154 741108481 /nfs/dbraw/zinc/10/84/81/741108481.db2.gz OBYAZLNUHQRFNZ-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208154 741108484 /nfs/dbraw/zinc/10/84/84/741108484.db2.gz OBYAZLNUHQRFNZ-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208154 741108486 /nfs/dbraw/zinc/10/84/86/741108486.db2.gz OBYAZLNUHQRFNZ-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001076999378 743157911 /nfs/dbraw/zinc/15/79/11/743157911.db2.gz PCPZAHAMOUMHFW-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181670802 743295603 /nfs/dbraw/zinc/29/56/03/743295603.db2.gz GLTQTOUICNUWED-ZIFCJYIRSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC(=O)OC)cc1 ZINC001182108432 743478799 /nfs/dbraw/zinc/47/87/99/743478799.db2.gz CQAIPZLJFKNFCF-UHFFFAOYSA-N 2 1 304.390 1.283 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCC(=O)OC)cc1 ZINC001182108432 743478805 /nfs/dbraw/zinc/47/88/05/743478805.db2.gz CQAIPZLJFKNFCF-UHFFFAOYSA-N 2 1 304.390 1.283 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629943 743675828 /nfs/dbraw/zinc/67/58/28/743675828.db2.gz QCBNHLAEIDSEJX-JFIYKMOQSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185548854 744245077 /nfs/dbraw/zinc/24/50/77/744245077.db2.gz OUOGIRVKXCIOGF-DLBZAZTESA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185659061 744264941 /nfs/dbraw/zinc/26/49/41/744264941.db2.gz CSTDIGQYMFNPBA-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185681909 744266537 /nfs/dbraw/zinc/26/65/37/744266537.db2.gz NILPSMQACJSYFL-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185679262 744274129 /nfs/dbraw/zinc/27/41/29/744274129.db2.gz BCPDJCOKYLFAQK-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCN1CC2(C1)CCN(C(=O)C[C@@H](C)n1ccnc1)CC2 ZINC001035806898 751910331 /nfs/dbraw/zinc/91/03/31/751910331.db2.gz DFPRPAJFHUUCFK-OAHLLOKOSA-N 2 1 300.406 1.392 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCF)[C@@H]2C)CC1 ZINC001089059480 744479294 /nfs/dbraw/zinc/47/92/94/744479294.db2.gz NXFJUUSPNLXCCX-ZBFHGGJFSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@@H]12 ZINC000991998667 744519640 /nfs/dbraw/zinc/51/96/40/744519640.db2.gz YZWPASZDIHRKRO-ZHALLVOQSA-N 2 1 315.461 1.607 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107773 744660889 /nfs/dbraw/zinc/66/08/89/744660889.db2.gz YJCLPLCQBMXAJB-HRCADAONSA-N 2 1 311.445 1.775 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801406 745000926 /nfs/dbraw/zinc/00/09/26/745000926.db2.gz FGOVHYSXYIHKDE-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570934 745804437 /nfs/dbraw/zinc/80/44/37/745804437.db2.gz FMAKDMKCGXZHBL-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001192778134 745888034 /nfs/dbraw/zinc/88/80/34/745888034.db2.gz JKTWLULKSBREJK-HOCLYGCPSA-N 2 1 320.437 1.324 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001192778134 745888038 /nfs/dbraw/zinc/88/80/38/745888038.db2.gz JKTWLULKSBREJK-HOCLYGCPSA-N 2 1 320.437 1.324 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001193434027 746107327 /nfs/dbraw/zinc/10/73/27/746107327.db2.gz XDGBNRRPLNVKDU-MRXNPFEDSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273919 746313159 /nfs/dbraw/zinc/31/31/59/746313159.db2.gz BUKIRBJIFQGXIG-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273919 746313167 /nfs/dbraw/zinc/31/31/67/746313167.db2.gz BUKIRBJIFQGXIG-MSOLQXFVSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196191963 746787776 /nfs/dbraw/zinc/78/77/76/746787776.db2.gz ROJVTZMQKNKLOM-KRWDZBQOSA-N 2 1 323.456 1.758 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001196191963 746787778 /nfs/dbraw/zinc/78/77/78/746787778.db2.gz ROJVTZMQKNKLOM-KRWDZBQOSA-N 2 1 323.456 1.758 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCCF)CC1 ZINC001196191963 746787780 /nfs/dbraw/zinc/78/77/80/746787780.db2.gz ROJVTZMQKNKLOM-KRWDZBQOSA-N 2 1 323.456 1.758 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCCF)CC1 ZINC001196191963 746787781 /nfs/dbraw/zinc/78/77/81/746787781.db2.gz ROJVTZMQKNKLOM-KRWDZBQOSA-N 2 1 323.456 1.758 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196519981 746883671 /nfs/dbraw/zinc/88/36/71/746883671.db2.gz YNVBKRNYHQWLBO-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001196519981 746883677 /nfs/dbraw/zinc/88/36/77/746883677.db2.gz YNVBKRNYHQWLBO-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001197453199 747177083 /nfs/dbraw/zinc/17/70/83/747177083.db2.gz AEZMSMZUZVAWGE-UHFFFAOYSA-N 2 1 309.454 1.209 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001197453199 747177085 /nfs/dbraw/zinc/17/70/85/747177085.db2.gz AEZMSMZUZVAWGE-UHFFFAOYSA-N 2 1 309.454 1.209 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723077 747250870 /nfs/dbraw/zinc/25/08/70/747250870.db2.gz DJDQCSOTAYIGIJ-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723077 747250874 /nfs/dbraw/zinc/25/08/74/747250874.db2.gz DJDQCSOTAYIGIJ-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089838187 748031558 /nfs/dbraw/zinc/03/15/58/748031558.db2.gz JJFFAZCFMCKCPV-YVSFHVDLSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089838187 748031568 /nfs/dbraw/zinc/03/15/68/748031568.db2.gz JJFFAZCFMCKCPV-YVSFHVDLSA-N 2 1 314.433 1.546 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033095657 748245129 /nfs/dbraw/zinc/24/51/29/748245129.db2.gz CONNNYXJCZGJSS-INIZCTEOSA-N 2 1 314.433 1.318 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CCCO1 ZINC001200687403 748313105 /nfs/dbraw/zinc/31/31/05/748313105.db2.gz APOANYSWQRLARB-GJZGRUSLSA-N 2 1 318.421 1.154 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004369947 748372221 /nfs/dbraw/zinc/37/22/21/748372221.db2.gz GQTBNHRDPYDMQL-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004369947 748372229 /nfs/dbraw/zinc/37/22/29/748372229.db2.gz GQTBNHRDPYDMQL-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004369947 748372233 /nfs/dbraw/zinc/37/22/33/748372233.db2.gz GQTBNHRDPYDMQL-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986360 748484373 /nfs/dbraw/zinc/48/43/73/748484373.db2.gz LRRYJAWIPUGRBX-GDBMZVCRSA-N 2 1 320.437 1.078 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033213286 748950561 /nfs/dbraw/zinc/95/05/61/748950561.db2.gz ZESKBKGHYBHDHH-UONOGXRCSA-N 2 1 302.422 1.542 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033213286 748950567 /nfs/dbraw/zinc/95/05/67/748950567.db2.gz ZESKBKGHYBHDHH-UONOGXRCSA-N 2 1 302.422 1.542 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033213287 748950656 /nfs/dbraw/zinc/95/06/56/748950656.db2.gz ZESKBKGHYBHDHH-ZIAGYGMSSA-N 2 1 302.422 1.542 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033213287 748950661 /nfs/dbraw/zinc/95/06/61/748950661.db2.gz ZESKBKGHYBHDHH-ZIAGYGMSSA-N 2 1 302.422 1.542 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033414778 749312151 /nfs/dbraw/zinc/31/21/51/749312151.db2.gz FBVBNSIGVOBBTO-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033414778 749312159 /nfs/dbraw/zinc/31/21/59/749312159.db2.gz FBVBNSIGVOBBTO-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033414778 749312162 /nfs/dbraw/zinc/31/21/62/749312162.db2.gz FBVBNSIGVOBBTO-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1(C)C ZINC000996042252 749349165 /nfs/dbraw/zinc/34/91/65/749349165.db2.gz LHELYDSWUHUKLB-INIZCTEOSA-N 2 1 314.433 1.222 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108357090 761977833 /nfs/dbraw/zinc/97/78/33/761977833.db2.gz XNWGDKYLIUTXSA-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357090 761977841 /nfs/dbraw/zinc/97/78/41/761977841.db2.gz XNWGDKYLIUTXSA-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357090 761977843 /nfs/dbraw/zinc/97/78/43/761977843.db2.gz XNWGDKYLIUTXSA-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406192 762005004 /nfs/dbraw/zinc/00/50/04/762005004.db2.gz ICRWZFHFGKFIGO-WBVHZDCISA-N 2 1 308.385 1.646 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001039406192 762005011 /nfs/dbraw/zinc/00/50/11/762005011.db2.gz ICRWZFHFGKFIGO-WBVHZDCISA-N 2 1 308.385 1.646 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932914 750155393 /nfs/dbraw/zinc/15/53/93/750155393.db2.gz UMJDLNPFRYODJH-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001110994003 750289122 /nfs/dbraw/zinc/28/91/22/750289122.db2.gz JWHYPYBQEVYPDD-WCXIOVBPSA-N 2 1 323.481 1.497 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111020781 750311051 /nfs/dbraw/zinc/31/10/51/750311051.db2.gz JISAUPFCZABIDB-HZMVEIRTSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111020781 750311060 /nfs/dbraw/zinc/31/10/60/750311060.db2.gz JISAUPFCZABIDB-HZMVEIRTSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111020781 750311068 /nfs/dbraw/zinc/31/10/68/750311068.db2.gz JISAUPFCZABIDB-HZMVEIRTSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034475956 750464365 /nfs/dbraw/zinc/46/43/65/750464365.db2.gz ACVFYBGRDJFDOA-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034488981 750495581 /nfs/dbraw/zinc/49/55/81/750495581.db2.gz ZAAMUBWROTWEPQ-AWEZNQCLSA-N 2 1 311.857 1.805 20 30 DDEDMP C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034488981 750495584 /nfs/dbraw/zinc/49/55/84/750495584.db2.gz ZAAMUBWROTWEPQ-AWEZNQCLSA-N 2 1 311.857 1.805 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997175099 750660022 /nfs/dbraw/zinc/66/00/22/750660022.db2.gz ACPRQBRCQFNWIM-BFYDXBDKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997175099 750660025 /nfs/dbraw/zinc/66/00/25/750660025.db2.gz ACPRQBRCQFNWIM-BFYDXBDKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001034793524 750889278 /nfs/dbraw/zinc/88/92/78/750889278.db2.gz GVGDVYUPIWZDGP-HDJSIYSDSA-N 2 1 310.829 1.961 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703467 752760929 /nfs/dbraw/zinc/76/09/29/752760929.db2.gz VYWCGBYQPOOCOS-IRXDYDNUSA-N 2 1 323.400 1.742 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001032703467 752760934 /nfs/dbraw/zinc/76/09/34/752760934.db2.gz VYWCGBYQPOOCOS-IRXDYDNUSA-N 2 1 323.400 1.742 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000999402608 752891771 /nfs/dbraw/zinc/89/17/71/752891771.db2.gz VKBKWIXOXCPXQH-WLYUNCDWSA-N 2 1 302.422 1.519 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090263235 753248499 /nfs/dbraw/zinc/24/84/99/753248499.db2.gz VRUPUUFJEURBJA-JKSUJKDBSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](OC)C1 ZINC001212426348 753377727 /nfs/dbraw/zinc/37/77/27/753377727.db2.gz XCFWBUFRJKRDAH-RRCSTGOVSA-N 2 1 318.421 1.295 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H](OC)C1 ZINC001212426348 753377731 /nfs/dbraw/zinc/37/77/31/753377731.db2.gz XCFWBUFRJKRDAH-RRCSTGOVSA-N 2 1 318.421 1.295 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739431 754357701 /nfs/dbraw/zinc/35/77/01/754357701.db2.gz OMZCHURCWWHCQP-CABCVRRESA-N 2 1 314.433 1.657 20 30 DDEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040138900 762404665 /nfs/dbraw/zinc/40/46/65/762404665.db2.gz WGIXPDOYMAROOS-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040138900 762404666 /nfs/dbraw/zinc/40/46/66/762404666.db2.gz WGIXPDOYMAROOS-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040138900 762404667 /nfs/dbraw/zinc/40/46/67/762404667.db2.gz WGIXPDOYMAROOS-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040138900 762404668 /nfs/dbraw/zinc/40/46/68/762404668.db2.gz WGIXPDOYMAROOS-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844891 755606815 /nfs/dbraw/zinc/60/68/15/755606815.db2.gz GGACUFWVLGNTQZ-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844891 755606817 /nfs/dbraw/zinc/60/68/17/755606817.db2.gz GGACUFWVLGNTQZ-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079844891 755606818 /nfs/dbraw/zinc/60/68/18/755606818.db2.gz GGACUFWVLGNTQZ-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298881 762428950 /nfs/dbraw/zinc/42/89/50/762428950.db2.gz ZKGKZXYTSSBQDJ-VQFNDLOPSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001080554475 755977323 /nfs/dbraw/zinc/97/73/23/755977323.db2.gz RFHGNIYBSJXBRV-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015378617 756272778 /nfs/dbraw/zinc/27/27/78/756272778.db2.gz SHSVYWDPTHNTSV-INIZCTEOSA-N 2 1 301.434 1.781 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015973904 756689190 /nfs/dbraw/zinc/68/91/90/756689190.db2.gz UREHQSHXGFWYOB-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015973904 756689191 /nfs/dbraw/zinc/68/91/91/756689191.db2.gz UREHQSHXGFWYOB-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001015973904 756689197 /nfs/dbraw/zinc/68/91/97/756689197.db2.gz UREHQSHXGFWYOB-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256241 756876042 /nfs/dbraw/zinc/87/60/42/756876042.db2.gz QZBGTISYZVZDJJ-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256241 756876050 /nfs/dbraw/zinc/87/60/50/756876050.db2.gz QZBGTISYZVZDJJ-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256241 756876056 /nfs/dbraw/zinc/87/60/56/756876056.db2.gz QZBGTISYZVZDJJ-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=C)C)CC2 ZINC001016670712 757253129 /nfs/dbraw/zinc/25/31/29/757253129.db2.gz RGWXOICQWRWOAO-IRXDYDNUSA-N 2 1 315.461 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(=C)C)CC2 ZINC001016670712 757253131 /nfs/dbraw/zinc/25/31/31/757253131.db2.gz RGWXOICQWRWOAO-IRXDYDNUSA-N 2 1 315.461 1.631 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694880 757374657 /nfs/dbraw/zinc/37/46/57/757374657.db2.gz IOQCOQMKZGVORS-MLHJIOFPSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694880 757374670 /nfs/dbraw/zinc/37/46/70/757374670.db2.gz IOQCOQMKZGVORS-MLHJIOFPSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694880 757374681 /nfs/dbraw/zinc/37/46/81/757374681.db2.gz IOQCOQMKZGVORS-MLHJIOFPSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016829756 757389021 /nfs/dbraw/zinc/38/90/21/757389021.db2.gz NLVLILAXBHOUEQ-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442891 757600744 /nfs/dbraw/zinc/60/07/44/757600744.db2.gz VDPLXGTVIJARSO-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545928 762587860 /nfs/dbraw/zinc/58/78/60/762587860.db2.gz YPVSDXRQNCUMCC-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545928 762587867 /nfs/dbraw/zinc/58/78/67/762587867.db2.gz YPVSDXRQNCUMCC-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545928 762587873 /nfs/dbraw/zinc/58/78/73/762587873.db2.gz YPVSDXRQNCUMCC-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833939 757960753 /nfs/dbraw/zinc/96/07/53/757960753.db2.gz CLHPSGYQPQEKLY-BRWVUGGUSA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956550 758009885 /nfs/dbraw/zinc/00/98/85/758009885.db2.gz USZUVJLRRAIJER-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956550 758009897 /nfs/dbraw/zinc/00/98/97/758009897.db2.gz USZUVJLRRAIJER-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956550 758009907 /nfs/dbraw/zinc/00/99/07/758009907.db2.gz USZUVJLRRAIJER-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001017633362 758101456 /nfs/dbraw/zinc/10/14/56/758101456.db2.gz VPKSMGGPBURWAU-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001017633362 758101462 /nfs/dbraw/zinc/10/14/62/758101462.db2.gz VPKSMGGPBURWAU-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001017633362 758101469 /nfs/dbraw/zinc/10/14/69/758101469.db2.gz VPKSMGGPBURWAU-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001017633362 758101477 /nfs/dbraw/zinc/10/14/77/758101477.db2.gz VPKSMGGPBURWAU-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429258 758455614 /nfs/dbraw/zinc/45/56/14/758455614.db2.gz JSJWMGMURTZTPP-JKSUJKDBSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429258 758455622 /nfs/dbraw/zinc/45/56/22/758455622.db2.gz JSJWMGMURTZTPP-JKSUJKDBSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001053698430 758707232 /nfs/dbraw/zinc/70/72/32/758707232.db2.gz LCKMXGJWAPIDJA-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053927217 758963633 /nfs/dbraw/zinc/96/36/33/758963633.db2.gz VWXNZVHCIJAFEJ-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053927217 758963639 /nfs/dbraw/zinc/96/36/39/758963639.db2.gz VWXNZVHCIJAFEJ-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153636 759235716 /nfs/dbraw/zinc/23/57/16/759235716.db2.gz VHKNVDNDIOZDBS-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153636 759235718 /nfs/dbraw/zinc/23/57/18/759235718.db2.gz VHKNVDNDIOZDBS-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153636 759235722 /nfs/dbraw/zinc/23/57/22/759235722.db2.gz VHKNVDNDIOZDBS-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054228724 759318965 /nfs/dbraw/zinc/31/89/65/759318965.db2.gz XZUKBBOQUSYNDF-KRWDZBQOSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259344 759359342 /nfs/dbraw/zinc/35/93/42/759359342.db2.gz VPMMKOWARWEWIK-SFHVURJKSA-N 2 1 311.429 1.736 20 30 DDEDMP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259344 759359354 /nfs/dbraw/zinc/35/93/54/759359354.db2.gz VPMMKOWARWEWIK-SFHVURJKSA-N 2 1 311.429 1.736 20 30 DDEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001054259344 759359363 /nfs/dbraw/zinc/35/93/63/759359363.db2.gz VPMMKOWARWEWIK-SFHVURJKSA-N 2 1 311.429 1.736 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086085411 760939064 /nfs/dbraw/zinc/93/90/64/760939064.db2.gz DEABNVMHHJIPQW-NXOAAHMSSA-N 2 1 305.466 1.921 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001039014928 761649698 /nfs/dbraw/zinc/64/96/98/761649698.db2.gz GVLPYZRTWAQEEB-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001039014928 761649701 /nfs/dbraw/zinc/64/97/01/761649701.db2.gz GVLPYZRTWAQEEB-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001039014928 761649704 /nfs/dbraw/zinc/64/97/04/761649704.db2.gz GVLPYZRTWAQEEB-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001039014928 761649707 /nfs/dbraw/zinc/64/97/07/761649707.db2.gz GVLPYZRTWAQEEB-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241897 761878447 /nfs/dbraw/zinc/87/84/47/761878447.db2.gz KBKBSNVXBBQDTI-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001372339 762799482 /nfs/dbraw/zinc/79/94/82/762799482.db2.gz UNAQVFHGGBAJNO-DLBZAZTESA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404181 762831887 /nfs/dbraw/zinc/83/18/87/762831887.db2.gz HCZDEUQCIJVDHC-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041287430 762934976 /nfs/dbraw/zinc/93/49/76/762934976.db2.gz QRLKPABFPVQCMH-HKUYNNGSSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001001568692 762968390 /nfs/dbraw/zinc/96/83/90/762968390.db2.gz DXWMMDIZNQYEFM-UHFFFAOYSA-N 2 1 306.410 1.364 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785252 763325066 /nfs/dbraw/zinc/32/50/66/763325066.db2.gz DNDWKXSPJQCUPG-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785252 763325073 /nfs/dbraw/zinc/32/50/73/763325073.db2.gz DNDWKXSPJQCUPG-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785252 763325082 /nfs/dbraw/zinc/32/50/82/763325082.db2.gz DNDWKXSPJQCUPG-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCF)C3)C2)CC1 ZINC001041844276 763400208 /nfs/dbraw/zinc/40/02/08/763400208.db2.gz FXGPCLYYUQVCRB-GOSISDBHSA-N 2 1 321.440 1.226 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846165 763402938 /nfs/dbraw/zinc/40/29/38/763402938.db2.gz YHTDCVOQLVHJGL-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846165 763402940 /nfs/dbraw/zinc/40/29/40/763402940.db2.gz YHTDCVOQLVHJGL-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846165 763402942 /nfs/dbraw/zinc/40/29/42/763402942.db2.gz YHTDCVOQLVHJGL-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846059 763403350 /nfs/dbraw/zinc/40/33/50/763403350.db2.gz WGCNKSUYVVZFKE-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846059 763403361 /nfs/dbraw/zinc/40/33/61/763403361.db2.gz WGCNKSUYVVZFKE-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846059 763403367 /nfs/dbraw/zinc/40/33/67/763403367.db2.gz WGCNKSUYVVZFKE-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001050333598 763476506 /nfs/dbraw/zinc/47/65/06/763476506.db2.gz WEANMVSSPSSUMO-ULQDDVLXSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001050333598 763476515 /nfs/dbraw/zinc/47/65/15/763476515.db2.gz WEANMVSSPSSUMO-ULQDDVLXSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042114313 763667377 /nfs/dbraw/zinc/66/73/77/763667377.db2.gz JORYBXPRVWWZSK-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968949 768159214 /nfs/dbraw/zinc/15/92/14/768159214.db2.gz RIWZJLPIKCPQCJ-CQSZACIVSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968949 768159218 /nfs/dbraw/zinc/15/92/18/768159218.db2.gz RIWZJLPIKCPQCJ-CQSZACIVSA-N 2 1 313.392 1.035 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050562948 763756262 /nfs/dbraw/zinc/75/62/62/763756262.db2.gz HBNRUGHLFIZKRY-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050562948 763756271 /nfs/dbraw/zinc/75/62/71/763756271.db2.gz HBNRUGHLFIZKRY-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050575792 763770222 /nfs/dbraw/zinc/77/02/22/763770222.db2.gz HJSLAOCVCXYGCG-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050761326 764015277 /nfs/dbraw/zinc/01/52/77/764015277.db2.gz KVWXIDLFTCKVEW-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050761326 764015282 /nfs/dbraw/zinc/01/52/82/764015282.db2.gz KVWXIDLFTCKVEW-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557479 764401466 /nfs/dbraw/zinc/40/14/66/764401466.db2.gz INLAKLRPJHXBRO-WMZOPIPTSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131682025 768259069 /nfs/dbraw/zinc/25/90/69/768259069.db2.gz LPSRBSVXKJVXST-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131696892 768278212 /nfs/dbraw/zinc/27/82/12/768278212.db2.gz CJROFDDXIKAEPS-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696892 768278218 /nfs/dbraw/zinc/27/82/18/768278218.db2.gz CJROFDDXIKAEPS-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696892 768278224 /nfs/dbraw/zinc/27/82/24/768278224.db2.gz CJROFDDXIKAEPS-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052275459 765663304 /nfs/dbraw/zinc/66/33/04/765663304.db2.gz LWDXXMLSAXANEQ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275459 765663310 /nfs/dbraw/zinc/66/33/10/765663310.db2.gz LWDXXMLSAXANEQ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275459 765663314 /nfs/dbraw/zinc/66/33/14/765663314.db2.gz LWDXXMLSAXANEQ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275459 765663319 /nfs/dbraw/zinc/66/33/19/765663319.db2.gz LWDXXMLSAXANEQ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651851 766038545 /nfs/dbraw/zinc/03/85/45/766038545.db2.gz NQUNQFJRBOMZBH-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651851 766038549 /nfs/dbraw/zinc/03/85/49/766038549.db2.gz NQUNQFJRBOMZBH-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651851 766038555 /nfs/dbraw/zinc/03/85/55/766038555.db2.gz NQUNQFJRBOMZBH-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461817 766323367 /nfs/dbraw/zinc/32/33/67/766323367.db2.gz PADDPKNHDCHMTG-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985354 766762335 /nfs/dbraw/zinc/76/23/35/766762335.db2.gz RYXWGZJXKXUSPL-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985354 766762339 /nfs/dbraw/zinc/76/23/39/766762339.db2.gz RYXWGZJXKXUSPL-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001098479244 768961307 /nfs/dbraw/zinc/96/13/07/768961307.db2.gz YFOUXAQICVZLCI-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098479244 768961309 /nfs/dbraw/zinc/96/13/09/768961309.db2.gz YFOUXAQICVZLCI-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098479244 768961311 /nfs/dbraw/zinc/96/13/11/768961311.db2.gz YFOUXAQICVZLCI-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC#C ZINC001048533263 769503652 /nfs/dbraw/zinc/50/36/52/769503652.db2.gz WWZFCGVCWFFBJJ-MHORFTMASA-N 2 1 313.445 1.076 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#C ZINC001048533263 769503661 /nfs/dbraw/zinc/50/36/61/769503661.db2.gz WWZFCGVCWFFBJJ-MHORFTMASA-N 2 1 313.445 1.076 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC#C)C2 ZINC001048533263 769503669 /nfs/dbraw/zinc/50/36/69/769503669.db2.gz WWZFCGVCWFFBJJ-MHORFTMASA-N 2 1 313.445 1.076 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1CC#C)C2 ZINC001048533263 769503680 /nfs/dbraw/zinc/50/36/80/769503680.db2.gz WWZFCGVCWFFBJJ-MHORFTMASA-N 2 1 313.445 1.076 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133320131 769690171 /nfs/dbraw/zinc/69/01/71/769690171.db2.gz ZANVQNQNDMFRFT-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914766 770102963 /nfs/dbraw/zinc/10/29/63/770102963.db2.gz ZOILFDDGQIVWAF-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048914766 770102969 /nfs/dbraw/zinc/10/29/69/770102969.db2.gz ZOILFDDGQIVWAF-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048914766 770102972 /nfs/dbraw/zinc/10/29/72/770102972.db2.gz ZOILFDDGQIVWAF-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049526504 770977260 /nfs/dbraw/zinc/97/72/60/770977260.db2.gz VFLDTQBYFOCKNU-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526504 770977265 /nfs/dbraw/zinc/97/72/65/770977265.db2.gz VFLDTQBYFOCKNU-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526504 770977272 /nfs/dbraw/zinc/97/72/72/770977272.db2.gz VFLDTQBYFOCKNU-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049636396 771038661 /nfs/dbraw/zinc/03/86/61/771038661.db2.gz BYDMJZYOTBPECD-HZPDHXFCSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688208 771087647 /nfs/dbraw/zinc/08/76/47/771087647.db2.gz SIBYITQYGCHMKI-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767169 771144316 /nfs/dbraw/zinc/14/43/16/771144316.db2.gz OJHVILFFIIPHGT-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828431 771191813 /nfs/dbraw/zinc/19/18/13/771191813.db2.gz OFOHKIAFABVUCH-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899989 771244593 /nfs/dbraw/zinc/24/45/93/771244593.db2.gz HYPJICAMKOIPRD-JKSUJKDBSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899989 771244597 /nfs/dbraw/zinc/24/45/97/771244597.db2.gz HYPJICAMKOIPRD-JKSUJKDBSA-N 2 1 302.422 1.833 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001146718703 772926078 /nfs/dbraw/zinc/92/60/78/772926078.db2.gz FUUROZKTYCASIZ-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147212056 773070661 /nfs/dbraw/zinc/07/06/61/773070661.db2.gz MFPHECJKJDOPFN-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212056 773070665 /nfs/dbraw/zinc/07/06/65/773070665.db2.gz MFPHECJKJDOPFN-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147212056 773070670 /nfs/dbraw/zinc/07/06/70/773070670.db2.gz MFPHECJKJDOPFN-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147788128 773246231 /nfs/dbraw/zinc/24/62/31/773246231.db2.gz WPDSFDKTGGDENI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147788128 773246235 /nfs/dbraw/zinc/24/62/35/773246235.db2.gz WPDSFDKTGGDENI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147788128 773246241 /nfs/dbraw/zinc/24/62/41/773246241.db2.gz WPDSFDKTGGDENI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001147878422 773283586 /nfs/dbraw/zinc/28/35/86/773283586.db2.gz YMRQNWAKHUQRRS-MRXNPFEDSA-N 2 1 300.406 1.106 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160870 773377898 /nfs/dbraw/zinc/37/78/98/773377898.db2.gz NBXLWRZYKOXZSO-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899472 773510681 /nfs/dbraw/zinc/51/06/81/773510681.db2.gz UWSBURALKYGABK-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899472 773510685 /nfs/dbraw/zinc/51/06/85/773510685.db2.gz UWSBURALKYGABK-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899472 773510687 /nfs/dbraw/zinc/51/06/87/773510687.db2.gz UWSBURALKYGABK-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605323 773532742 /nfs/dbraw/zinc/53/27/42/773532742.db2.gz NMRIAWUONRIOCU-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856683 773840953 /nfs/dbraw/zinc/84/09/53/773840953.db2.gz YHTFKWMBEJRQBG-APWZRJJASA-N 2 1 322.412 1.752 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953101 773892351 /nfs/dbraw/zinc/89/23/51/773892351.db2.gz ACMVEQMBRBACKY-BMFAXAFESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953101 773892357 /nfs/dbraw/zinc/89/23/57/773892357.db2.gz ACMVEQMBRBACKY-BMFAXAFESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953101 773892363 /nfs/dbraw/zinc/89/23/63/773892363.db2.gz ACMVEQMBRBACKY-BMFAXAFESA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001074829632 774172285 /nfs/dbraw/zinc/17/22/85/774172285.db2.gz HOYJMLIYNIHOOP-JYJNAYRXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001074829632 774172287 /nfs/dbraw/zinc/17/22/87/774172287.db2.gz HOYJMLIYNIHOOP-JYJNAYRXSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846392 774692672 /nfs/dbraw/zinc/69/26/72/774692672.db2.gz HDLKGAAFHJRTBA-CUSZFKRNSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846392 774692675 /nfs/dbraw/zinc/69/26/75/774692675.db2.gz HDLKGAAFHJRTBA-CUSZFKRNSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846392 774692677 /nfs/dbraw/zinc/69/26/77/774692677.db2.gz HDLKGAAFHJRTBA-CUSZFKRNSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198440 774895632 /nfs/dbraw/zinc/89/56/32/774895632.db2.gz AUXPAWQWIZDMDA-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001099298996 774937529 /nfs/dbraw/zinc/93/75/29/774937529.db2.gz QECMGZXYYDMMBS-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099298996 774937532 /nfs/dbraw/zinc/93/75/32/774937532.db2.gz QECMGZXYYDMMBS-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001099298996 774937534 /nfs/dbraw/zinc/93/75/34/774937534.db2.gz QECMGZXYYDMMBS-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC)C1 ZINC001099448439 774995437 /nfs/dbraw/zinc/99/54/37/774995437.db2.gz MZEFDUWYOHHXDC-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC)C1 ZINC001099448439 774995439 /nfs/dbraw/zinc/99/54/39/774995439.db2.gz MZEFDUWYOHHXDC-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544192 775022842 /nfs/dbraw/zinc/02/28/42/775022842.db2.gz MNPNALRJJIPNCT-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544192 775022849 /nfs/dbraw/zinc/02/28/49/775022849.db2.gz MNPNALRJJIPNCT-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544192 775022858 /nfs/dbraw/zinc/02/28/58/775022858.db2.gz MNPNALRJJIPNCT-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099544314 775023015 /nfs/dbraw/zinc/02/30/15/775023015.db2.gz NSBHKSFUMQVKFI-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895912 776007312 /nfs/dbraw/zinc/00/73/12/776007312.db2.gz GKYGLAUKLDEBFJ-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403661 776105069 /nfs/dbraw/zinc/10/50/69/776105069.db2.gz VDJUCAOJKOSBKI-AQFXKWCLSA-N 2 1 305.466 1.472 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001171756934 776445434 /nfs/dbraw/zinc/44/54/34/776445434.db2.gz BZMFAKMLELDVOP-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171821284 776464556 /nfs/dbraw/zinc/46/45/56/776464556.db2.gz KZHGPDMRNCPVJL-OAHLLOKOSA-N 2 1 322.453 1.659 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341642 777084441 /nfs/dbraw/zinc/08/44/41/777084441.db2.gz NMBIMVTZSYRBCZ-WBVHZDCISA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001101575222 777265594 /nfs/dbraw/zinc/26/55/94/777265594.db2.gz YWUYMTMARPXGED-INIZCTEOSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101594908 777285926 /nfs/dbraw/zinc/28/59/26/777285926.db2.gz WJLMJCFZXAISGI-OAHLLOKOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001101595313 777287169 /nfs/dbraw/zinc/28/71/69/777287169.db2.gz BFZZQWHXLRDMDS-UHFFFAOYSA-N 2 1 316.449 1.679 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176125829 778055649 /nfs/dbraw/zinc/05/56/49/778055649.db2.gz LONMNXNAGLXAJG-UHFFFAOYSA-N 2 1 315.215 1.196 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102358153 778093239 /nfs/dbraw/zinc/09/32/39/778093239.db2.gz YHVXIKRFFPYGNB-ZACQAIPSSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102428890 778132690 /nfs/dbraw/zinc/13/26/90/778132690.db2.gz XSTGMCUAMNBUIU-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102601523 778233646 /nfs/dbraw/zinc/23/36/46/778233646.db2.gz HADHUVRURPEDIW-KBAYOESNSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102601523 778233652 /nfs/dbraw/zinc/23/36/52/778233652.db2.gz HADHUVRURPEDIW-KBAYOESNSA-N 2 1 313.445 1.607 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C ZINC001176980282 778364489 /nfs/dbraw/zinc/36/44/89/778364489.db2.gz AKZNCJOBYBHRNN-UHFFFAOYSA-N 2 1 306.248 1.331 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001177157099 778464930 /nfs/dbraw/zinc/46/49/30/778464930.db2.gz QMRIJTNGVUPSRB-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001177157099 778464934 /nfs/dbraw/zinc/46/49/34/778464934.db2.gz QMRIJTNGVUPSRB-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157099 778464939 /nfs/dbraw/zinc/46/49/39/778464939.db2.gz QMRIJTNGVUPSRB-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157099 778464942 /nfs/dbraw/zinc/46/49/42/778464942.db2.gz QMRIJTNGVUPSRB-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)CCC ZINC001177466873 778600393 /nfs/dbraw/zinc/60/03/93/778600393.db2.gz HALCNIMFYNUOKN-UHFFFAOYSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103644480 778978201 /nfs/dbraw/zinc/97/82/01/778978201.db2.gz BHJCLOVQXPCQHC-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103644480 778978208 /nfs/dbraw/zinc/97/82/08/778978208.db2.gz BHJCLOVQXPCQHC-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103644480 778978211 /nfs/dbraw/zinc/97/82/11/778978211.db2.gz BHJCLOVQXPCQHC-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC001115573416 780243909 /nfs/dbraw/zinc/24/39/09/780243909.db2.gz QWRSUJWIHILXAN-HNNXBMFYSA-N 2 1 314.433 1.802 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001267179281 837479319 /nfs/dbraw/zinc/47/93/19/837479319.db2.gz NXFIPESDZKCTER-AEFFLSMTSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001267179281 837479325 /nfs/dbraw/zinc/47/93/25/837479325.db2.gz NXFIPESDZKCTER-AEFFLSMTSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001267179281 837479330 /nfs/dbraw/zinc/47/93/30/837479330.db2.gz NXFIPESDZKCTER-AEFFLSMTSA-N 2 1 303.450 1.466 20 30 DDEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266288341 836059402 /nfs/dbraw/zinc/05/94/02/836059402.db2.gz GCZPIBJOOVDUDR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266288341 836059412 /nfs/dbraw/zinc/05/94/12/836059412.db2.gz GCZPIBJOOVDUDR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266288341 836059424 /nfs/dbraw/zinc/05/94/24/836059424.db2.gz GCZPIBJOOVDUDR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001266527033 836417692 /nfs/dbraw/zinc/41/76/92/836417692.db2.gz CGJGYLKWASSFIN-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001266527033 836417696 /nfs/dbraw/zinc/41/76/96/836417696.db2.gz CGJGYLKWASSFIN-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001266716139 836716710 /nfs/dbraw/zinc/71/67/10/836716710.db2.gz DHSCNGUUENZWPP-TWMKSMIVSA-N 2 1 321.465 1.443 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266879068 836988478 /nfs/dbraw/zinc/98/84/78/836988478.db2.gz OCSNAYQQPUZTNJ-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266896436 837018985 /nfs/dbraw/zinc/01/89/85/837018985.db2.gz ATNBAFRKXKYBOY-ZBFHGGJFSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266896436 837018992 /nfs/dbraw/zinc/01/89/92/837018992.db2.gz ATNBAFRKXKYBOY-ZBFHGGJFSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001266984055 837148847 /nfs/dbraw/zinc/14/88/47/837148847.db2.gz UDPKSUZWCDTKDP-RDJZCZTQSA-N 2 1 301.434 1.797 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001267522133 838243106 /nfs/dbraw/zinc/24/31/06/838243106.db2.gz ZFYQOXVGNPADBD-OIISXLGYSA-N 2 1 301.434 1.960 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001267571925 838331977 /nfs/dbraw/zinc/33/19/77/838331977.db2.gz UVGCYQBEUJJYCB-INIZCTEOSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCCC[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001267692615 838659493 /nfs/dbraw/zinc/65/94/93/838659493.db2.gz ITICZGLYVZBDIL-MRXNPFEDSA-N 2 1 316.449 1.768 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267703041 838679133 /nfs/dbraw/zinc/67/91/33/838679133.db2.gz LAMFRKJJVKHURM-DLBZAZTESA-N 2 1 323.481 1.003 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001268035034 839506621 /nfs/dbraw/zinc/50/66/21/839506621.db2.gz FVEBXGIBGUNYAL-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001268038104 839518711 /nfs/dbraw/zinc/51/87/11/839518711.db2.gz OXQKPVWIXKOCTP-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001268729916 840724261 /nfs/dbraw/zinc/72/42/61/840724261.db2.gz GKRDJMPLJQDRKR-CQSZACIVSA-N 2 1 307.442 1.071 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001269331933 841529017 /nfs/dbraw/zinc/52/90/17/841529017.db2.gz PMFUIIHDNAQMHY-HOTGVXAUSA-N 2 1 311.445 1.612 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001269331933 841529029 /nfs/dbraw/zinc/52/90/29/841529029.db2.gz PMFUIIHDNAQMHY-HOTGVXAUSA-N 2 1 311.445 1.612 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001269737694 841989658 /nfs/dbraw/zinc/98/96/58/841989658.db2.gz LKEYCQARDGEYKJ-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001272311588 846024278 /nfs/dbraw/zinc/02/42/78/846024278.db2.gz MMUPSWBMOQSCIW-HOTGVXAUSA-N 2 1 316.449 1.904 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=C)C)CC1 ZINC001005519658 848083467 /nfs/dbraw/zinc/08/34/67/848083467.db2.gz YBPCVWDMCIODLX-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=C)C)CC1 ZINC001005519658 848083475 /nfs/dbraw/zinc/08/34/75/848083475.db2.gz YBPCVWDMCIODLX-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244652 861890695 /nfs/dbraw/zinc/89/06/95/861890695.db2.gz XEVSRRVWMLVLKI-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244652 861890719 /nfs/dbraw/zinc/89/07/19/861890719.db2.gz XEVSRRVWMLVLKI-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149841356 861934436 /nfs/dbraw/zinc/93/44/36/861934436.db2.gz CZDBOLJETSHTTH-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149891597 861964322 /nfs/dbraw/zinc/96/43/22/861964322.db2.gz YOCDNWNWIWAGTC-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150394826 862218816 /nfs/dbraw/zinc/21/88/16/862218816.db2.gz MLVUIKFSCYLLQC-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451934 862246808 /nfs/dbraw/zinc/24/68/08/862246808.db2.gz CEKFGDVQCWONCH-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451934 862246827 /nfs/dbraw/zinc/24/68/27/862246827.db2.gz CEKFGDVQCWONCH-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001274786572 852602761 /nfs/dbraw/zinc/60/27/61/852602761.db2.gz TXTDGDDEOCYNLT-AWEZNQCLSA-N 2 1 320.437 1.945 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275492304 853217232 /nfs/dbraw/zinc/21/72/32/853217232.db2.gz MKKMJFUUPTUILQ-LSDHHAIUSA-N 2 1 311.470 1.097 20 30 DDEDMP CC#CC[NH2+][C@@H](CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001276122525 854782539 /nfs/dbraw/zinc/78/25/39/854782539.db2.gz FJFDHLMYCDYQTI-KRWDZBQOSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001151327463 862728409 /nfs/dbraw/zinc/72/84/09/862728409.db2.gz WOHIHTSEEXLFQU-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569316 856990293 /nfs/dbraw/zinc/99/02/93/856990293.db2.gz YKWMNQHSGVAFCC-HOTGVXAUSA-N 2 1 303.450 1.866 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850207 857797840 /nfs/dbraw/zinc/79/78/40/857797840.db2.gz SKBKCQIEHBDMPU-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850207 857797845 /nfs/dbraw/zinc/79/78/45/857797845.db2.gz SKBKCQIEHBDMPU-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850207 857797851 /nfs/dbraw/zinc/79/78/51/857797851.db2.gz SKBKCQIEHBDMPU-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC001072870496 857824126 /nfs/dbraw/zinc/82/41/26/857824126.db2.gz LCWCLGVZESUEGP-OAHLLOKOSA-N 2 1 312.417 1.003 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050412 858047858 /nfs/dbraw/zinc/04/78/58/858047858.db2.gz YWLCFJQKJIPHAJ-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050412 858047866 /nfs/dbraw/zinc/04/78/66/858047866.db2.gz YWLCFJQKJIPHAJ-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050412 858047874 /nfs/dbraw/zinc/04/78/74/858047874.db2.gz YWLCFJQKJIPHAJ-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231742 858720915 /nfs/dbraw/zinc/72/09/15/858720915.db2.gz WDCXDFLODCHFMN-WLOQGADPSA-N 2 1 317.477 1.900 20 30 DDEDMP C=CCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772585 860181676 /nfs/dbraw/zinc/18/16/76/860181676.db2.gz RSPXDNKLCQXKLH-UHFFFAOYSA-N 2 1 303.450 1.931 20 30 DDEDMP C=CC[NH+]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139257340 860337933 /nfs/dbraw/zinc/33/79/33/860337933.db2.gz XWKYFRWFERETOB-UHFFFAOYSA-N 2 1 319.449 1.766 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104052 860808669 /nfs/dbraw/zinc/80/86/69/860808669.db2.gz PYMXMUWWTJXNHE-LSDHHAIUSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154385478 861062393 /nfs/dbraw/zinc/06/23/93/861062393.db2.gz LCBXQGQGRXPTCH-CTMQZQKCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154385478 861062413 /nfs/dbraw/zinc/06/24/13/861062413.db2.gz LCBXQGQGRXPTCH-CTMQZQKCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154385478 861062431 /nfs/dbraw/zinc/06/24/31/861062431.db2.gz LCBXQGQGRXPTCH-CTMQZQKCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387454 863865718 /nfs/dbraw/zinc/86/57/18/863865718.db2.gz BNIOYBKBNORGIO-HIFRSBDPSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387454 863865737 /nfs/dbraw/zinc/86/57/37/863865737.db2.gz BNIOYBKBNORGIO-HIFRSBDPSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC(=C)C ZINC001153891299 864197633 /nfs/dbraw/zinc/19/76/33/864197633.db2.gz VXFHGHQSNWFHJM-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001153891299 864197641 /nfs/dbraw/zinc/19/76/41/864197641.db2.gz VXFHGHQSNWFHJM-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(=C)C ZINC001153891299 864197650 /nfs/dbraw/zinc/19/76/50/864197650.db2.gz VXFHGHQSNWFHJM-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC(=C)C ZINC001153891299 864197656 /nfs/dbraw/zinc/19/76/56/864197656.db2.gz VXFHGHQSNWFHJM-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2nccn21 ZINC001158060167 864394771 /nfs/dbraw/zinc/39/47/71/864394771.db2.gz HSEFWBIHOHGHSS-CVEARBPZSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001158060167 864394796 /nfs/dbraw/zinc/39/47/96/864394796.db2.gz HSEFWBIHOHGHSS-CVEARBPZSA-N 2 1 314.433 1.707 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083145 864396195 /nfs/dbraw/zinc/39/61/95/864396195.db2.gz IZSGHBUGTFKQKJ-MRXNPFEDSA-N 2 1 316.449 1.758 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505595 864694691 /nfs/dbraw/zinc/69/46/91/864694691.db2.gz CPOBCVZNYMABSM-DLBZAZTESA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001160198169 865723329 /nfs/dbraw/zinc/72/33/29/865723329.db2.gz VLXWINDHLIBDRI-SFHVURJKSA-N 2 1 313.445 1.689 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C ZINC001160198169 865723334 /nfs/dbraw/zinc/72/33/34/865723334.db2.gz VLXWINDHLIBDRI-SFHVURJKSA-N 2 1 313.445 1.689 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001322998738 866254536 /nfs/dbraw/zinc/25/45/36/866254536.db2.gz CROHGAQTXVVITI-AEFFLSMTSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001319749373 866269418 /nfs/dbraw/zinc/26/94/18/866269418.db2.gz FAYLNGPKLBSHTM-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001319769111 866279131 /nfs/dbraw/zinc/27/91/31/866279131.db2.gz JTUZFOMSXHIYRD-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC#CCOC ZINC001319787003 866290176 /nfs/dbraw/zinc/29/01/76/866290176.db2.gz CNAKECJARCWKSL-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319820754 866315914 /nfs/dbraw/zinc/31/59/14/866315914.db2.gz OYYBKVPMJWHORE-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001323733312 866802523 /nfs/dbraw/zinc/80/25/23/866802523.db2.gz FBOMLYMWEUZWTQ-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001321391553 867555707 /nfs/dbraw/zinc/55/57/07/867555707.db2.gz GLWQRAMXXXTWBS-KYVUIXNKSA-N 2 1 312.417 1.272 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001162626881 867688224 /nfs/dbraw/zinc/68/82/24/867688224.db2.gz CQRGLWWYYKZXFJ-UHFFFAOYSA-N 2 1 311.389 1.359 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001325140444 867814701 /nfs/dbraw/zinc/81/47/01/867814701.db2.gz HHIWSUIPTHLPQK-KRWDZBQOSA-N 2 1 320.437 1.101 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001325140444 867814711 /nfs/dbraw/zinc/81/47/11/867814711.db2.gz HHIWSUIPTHLPQK-KRWDZBQOSA-N 2 1 320.437 1.101 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872180 867889788 /nfs/dbraw/zinc/88/97/88/867889788.db2.gz JOTGHCHTWATDLQ-JBCIKUTRSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001325286707 867914196 /nfs/dbraw/zinc/91/41/96/867914196.db2.gz YYYHXHAYGYUCSE-HOTGVXAUSA-N 2 1 321.465 1.132 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001325286707 867914217 /nfs/dbraw/zinc/91/42/17/867914217.db2.gz YYYHXHAYGYUCSE-HOTGVXAUSA-N 2 1 321.465 1.132 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001325740577 868311563 /nfs/dbraw/zinc/31/15/63/868311563.db2.gz MOJDLDGPPMGYDF-KSZLIROESA-N 2 1 317.477 1.685 20 30 DDEDMP C[N@@H+]1CC=C(C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC001335968977 868649569 /nfs/dbraw/zinc/64/95/69/868649569.db2.gz MQHAGRMJRMCOAH-KRWDZBQOSA-N 2 1 315.417 1.344 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001317014992 870120873 /nfs/dbraw/zinc/12/08/73/870120873.db2.gz DWNJHXVJBDOSPO-NCKMRVBPSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001317014992 870120877 /nfs/dbraw/zinc/12/08/77/870120877.db2.gz DWNJHXVJBDOSPO-NCKMRVBPSA-N 2 1 309.841 1.321 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699609 870166252 /nfs/dbraw/zinc/16/62/52/870166252.db2.gz SHJIHNFFFMXJNU-CYBMUJFWSA-N 2 1 310.829 1.602 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793618 870254114 /nfs/dbraw/zinc/25/41/14/870254114.db2.gz WHDVFDZKLSDMRN-MRXNPFEDSA-N 2 1 305.466 1.618 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814885 870271343 /nfs/dbraw/zinc/27/13/43/870271343.db2.gz SNQFUGUQNJKREW-MRXNPFEDSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001317175236 870417707 /nfs/dbraw/zinc/41/77/07/870417707.db2.gz ZATIGPTVDBRSRY-HOTGVXAUSA-N 2 1 311.445 1.660 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001317175236 870417710 /nfs/dbraw/zinc/41/77/10/870417710.db2.gz ZATIGPTVDBRSRY-HOTGVXAUSA-N 2 1 311.445 1.660 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203490611 870588234 /nfs/dbraw/zinc/58/82/34/870588234.db2.gz DBTPRSJUKGCELW-HOTGVXAUSA-N 2 1 314.433 1.622 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317178109 870948954 /nfs/dbraw/zinc/94/89/54/870948954.db2.gz ABCSFEFMRAHQBG-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317178109 870948962 /nfs/dbraw/zinc/94/89/62/870948962.db2.gz ABCSFEFMRAHQBG-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]CC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340240412 870978099 /nfs/dbraw/zinc/97/80/99/870978099.db2.gz ISKCAWLFTWXUOM-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876096 871274102 /nfs/dbraw/zinc/27/41/02/871274102.db2.gz MZBVBTDDYNBTKF-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876096 871274123 /nfs/dbraw/zinc/27/41/23/871274123.db2.gz MZBVBTDDYNBTKF-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001340820514 871371900 /nfs/dbraw/zinc/37/19/00/871371900.db2.gz GXLJRRSGFTWTBL-OWCLPIDISA-N 2 1 311.470 1.676 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316756802 871997973 /nfs/dbraw/zinc/99/79/73/871997973.db2.gz GLDWNIWVSBCJBY-SJORKVTESA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316756802 871997983 /nfs/dbraw/zinc/99/79/83/871997983.db2.gz GLDWNIWVSBCJBY-SJORKVTESA-N 2 1 314.433 1.385 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316880284 872194383 /nfs/dbraw/zinc/19/43/83/872194383.db2.gz LOZKKLGVCFZMQP-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208279018 873956166 /nfs/dbraw/zinc/95/61/66/873956166.db2.gz FVWKMZDQJVNCNC-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208333964 874024824 /nfs/dbraw/zinc/02/48/24/874024824.db2.gz BGFWTKDBHULZBR-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOC(C)C)C1 ZINC001208356152 874050802 /nfs/dbraw/zinc/05/08/02/874050802.db2.gz MJYNLIDNYRABKC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOC(C)C)C1 ZINC001208356152 874050818 /nfs/dbraw/zinc/05/08/18/874050818.db2.gz MJYNLIDNYRABKC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001378090240 874124112 /nfs/dbraw/zinc/12/41/12/874124112.db2.gz VGIDBYDLFMLXIS-ZDUSSCGKSA-N 2 1 320.462 1.650 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001378090240 874124118 /nfs/dbraw/zinc/12/41/18/874124118.db2.gz VGIDBYDLFMLXIS-ZDUSSCGKSA-N 2 1 320.462 1.650 20 30 DDEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001378090240 874124121 /nfs/dbraw/zinc/12/41/21/874124121.db2.gz VGIDBYDLFMLXIS-ZDUSSCGKSA-N 2 1 320.462 1.650 20 30 DDEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001378090240 874124126 /nfs/dbraw/zinc/12/41/26/874124126.db2.gz VGIDBYDLFMLXIS-ZDUSSCGKSA-N 2 1 320.462 1.650 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453253 874155512 /nfs/dbraw/zinc/15/55/12/874155512.db2.gz CHWBTFFWCOBWQP-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758917 874444587 /nfs/dbraw/zinc/44/45/87/874444587.db2.gz OIDXTMOMJHBFBD-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001348359226 874510772 /nfs/dbraw/zinc/51/07/72/874510772.db2.gz PAEMWFMMTJQMCJ-BFYDXBDKSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209206109 874729741 /nfs/dbraw/zinc/72/97/41/874729741.db2.gz XQQXJNWARXMKFZ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001378410625 874831275 /nfs/dbraw/zinc/83/12/75/874831275.db2.gz IGFASQCIXYLYGM-BBRMVZONSA-N 2 1 313.873 1.955 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954299 875178521 /nfs/dbraw/zinc/17/85/21/875178521.db2.gz WKADPXVOYZRYAW-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]([NH3+])CCCC#N ZINC001349458017 875184462 /nfs/dbraw/zinc/18/44/62/875184462.db2.gz NOPOOEGJATUJTJ-CQSZACIVSA-N 2 1 312.377 1.213 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210132461 875237499 /nfs/dbraw/zinc/23/74/99/875237499.db2.gz BUTFXKMVTJGGPF-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162833 876592446 /nfs/dbraw/zinc/59/24/46/876592446.db2.gz YDTXVNLQOMPERE-GDBMZVCRSA-N 2 1 314.433 1.222 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162485 876593349 /nfs/dbraw/zinc/59/33/49/876593349.db2.gz RYWGZOIVUSMGES-GDBMZVCRSA-N 2 1 314.433 1.222 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001219928258 878603462 /nfs/dbraw/zinc/60/34/62/878603462.db2.gz WSQULTVMOBICII-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219928258 878603467 /nfs/dbraw/zinc/60/34/67/878603467.db2.gz WSQULTVMOBICII-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001219928258 878603469 /nfs/dbraw/zinc/60/34/69/878603469.db2.gz WSQULTVMOBICII-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C[N@H+]1C[C@@]23CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@]2(C1)CCCC3 ZINC001356189129 878912914 /nfs/dbraw/zinc/91/29/14/878912914.db2.gz OEMDPMRRCUDYLJ-OIISXLGYSA-N 2 1 304.438 1.342 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355472 878948921 /nfs/dbraw/zinc/94/89/21/878948921.db2.gz QXZVHYHRCVRASH-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355472 878948929 /nfs/dbraw/zinc/94/89/29/878948929.db2.gz QXZVHYHRCVRASH-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355472 878948937 /nfs/dbraw/zinc/94/89/37/878948937.db2.gz QXZVHYHRCVRASH-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755234 879231543 /nfs/dbraw/zinc/23/15/43/879231543.db2.gz ICVPSOXWLMAJNK-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755234 879231554 /nfs/dbraw/zinc/23/15/54/879231554.db2.gz ICVPSOXWLMAJNK-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755234 879231567 /nfs/dbraw/zinc/23/15/67/879231567.db2.gz ICVPSOXWLMAJNK-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP N#Cc1ccc(Cl)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222502033 880516782 /nfs/dbraw/zinc/51/67/82/880516782.db2.gz CQYYXAAVHKTACF-HOTGVXAUSA-N 2 1 304.825 1.737 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228166903 883370124 /nfs/dbraw/zinc/37/01/24/883370124.db2.gz CYRPRNHUSIKUGA-ZACQAIPSSA-N 2 1 321.465 1.136 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228166903 883370144 /nfs/dbraw/zinc/37/01/44/883370144.db2.gz CYRPRNHUSIKUGA-ZACQAIPSSA-N 2 1 321.465 1.136 20 30 DDEDMP CN(CCC#N)c1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1 ZINC001234986793 888301108 /nfs/dbraw/zinc/30/11/08/888301108.db2.gz FFICCTUFHDLMHE-SFHVURJKSA-N 2 1 313.449 1.174 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587102 888775871 /nfs/dbraw/zinc/77/58/71/888775871.db2.gz BWNGLMXSBDRMAV-HOTGVXAUSA-N 2 1 311.470 1.308 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587102 888775875 /nfs/dbraw/zinc/77/58/75/888775875.db2.gz BWNGLMXSBDRMAV-HOTGVXAUSA-N 2 1 311.470 1.308 20 30 DDEDMP C[C@H](CO)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277998934 889311144 /nfs/dbraw/zinc/31/11/44/889311144.db2.gz URTCFCWJXVEAHK-HNNXBMFYSA-N 2 1 316.449 1.423 20 30 DDEDMP C[N@H+]1CCc2ncnc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2C1 ZINC001240346839 890907198 /nfs/dbraw/zinc/90/71/98/890907198.db2.gz ZXYKXDKXUKOBIK-UHFFFAOYSA-N 2 1 305.385 1.690 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246301182 892526109 /nfs/dbraw/zinc/52/61/09/892526109.db2.gz WHELTNYOELLRNW-LZEOREFUSA-N 2 1 317.408 1.700 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246579387 892711627 /nfs/dbraw/zinc/71/16/27/892711627.db2.gz IZWCPTQLZDFZOX-LZEOREFUSA-N 2 1 317.408 1.781 20 30 DDEDMP N#C[C@@H]1C[C@H]([N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)CCN1 ZINC001246687303 892787240 /nfs/dbraw/zinc/78/72/40/892787240.db2.gz WGLQCTOWCCWKJM-HAGHYFMRSA-N 2 1 324.472 1.884 20 30 DDEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]1C2 ZINC001246876339 892965458 /nfs/dbraw/zinc/96/54/58/892965458.db2.gz ZAJAKCQTWMKVBE-QKEJGYSESA-N 2 1 303.406 1.009 20 30 DDEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251835977 894835776 /nfs/dbraw/zinc/83/57/76/894835776.db2.gz SAYXFSPYVXGOAW-XHSDSOJGSA-N 2 1 320.458 1.122 20 30 DDEDMP C#CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251835977 894835789 /nfs/dbraw/zinc/83/57/89/894835789.db2.gz SAYXFSPYVXGOAW-XHSDSOJGSA-N 2 1 320.458 1.122 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001251835977 894835796 /nfs/dbraw/zinc/83/57/96/894835796.db2.gz SAYXFSPYVXGOAW-XHSDSOJGSA-N 2 1 320.458 1.122 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001251835977 894835802 /nfs/dbraw/zinc/83/58/02/894835802.db2.gz SAYXFSPYVXGOAW-XHSDSOJGSA-N 2 1 320.458 1.122 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001252552585 895272136 /nfs/dbraw/zinc/27/21/36/895272136.db2.gz KOZGOXFAXYWXAK-SQNIBIBYSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252552585 895272152 /nfs/dbraw/zinc/27/21/52/895272152.db2.gz KOZGOXFAXYWXAK-SQNIBIBYSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252552585 895272167 /nfs/dbraw/zinc/27/21/67/895272167.db2.gz KOZGOXFAXYWXAK-SQNIBIBYSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253575849 895899779 /nfs/dbraw/zinc/89/97/79/895899779.db2.gz GGOJFEGAOFJADW-GDBMZVCRSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001253575849 895899788 /nfs/dbraw/zinc/89/97/88/895899788.db2.gz GGOJFEGAOFJADW-GDBMZVCRSA-N 2 1 310.438 1.273 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001279044346 897946960 /nfs/dbraw/zinc/94/69/60/897946960.db2.gz HOHBYLCEZRVKSN-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001279044346 897946976 /nfs/dbraw/zinc/94/69/76/897946976.db2.gz HOHBYLCEZRVKSN-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)CCOC ZINC001279044346 897946984 /nfs/dbraw/zinc/94/69/84/897946984.db2.gz HOHBYLCEZRVKSN-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)CCOC ZINC001279044346 897946997 /nfs/dbraw/zinc/94/69/97/897946997.db2.gz HOHBYLCEZRVKSN-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001264004716 900869263 /nfs/dbraw/zinc/86/92/63/900869263.db2.gz BAKLADLXWGREQC-IKGGRYGDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1CC ZINC001264055927 900897386 /nfs/dbraw/zinc/89/73/86/900897386.db2.gz UJMHAMLXRMGYRF-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391878618 902788632 /nfs/dbraw/zinc/78/86/32/902788632.db2.gz JDHUNORAQDYVDZ-RHSMWYFYSA-N 2 1 314.433 1.494 20 30 DDEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138460 903004184 /nfs/dbraw/zinc/00/41/84/903004184.db2.gz HSPHRHFJXFRXKK-KRWDZBQOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001279587890 903339739 /nfs/dbraw/zinc/33/97/39/903339739.db2.gz OQVSNUOWVWUOGF-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001280408681 903644166 /nfs/dbraw/zinc/64/41/66/903644166.db2.gz HBMZXJFJPVYZFP-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001280408681 903644175 /nfs/dbraw/zinc/64/41/75/903644175.db2.gz HBMZXJFJPVYZFP-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001280408681 903644182 /nfs/dbraw/zinc/64/41/82/903644182.db2.gz HBMZXJFJPVYZFP-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001280408681 903644192 /nfs/dbraw/zinc/64/41/92/903644192.db2.gz HBMZXJFJPVYZFP-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001281484629 904923411 /nfs/dbraw/zinc/92/34/11/904923411.db2.gz GSHODUBFAQQLCQ-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001282477778 905819414 /nfs/dbraw/zinc/81/94/14/905819414.db2.gz MKQFVUSIGPAXNM-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001282677607 905940396 /nfs/dbraw/zinc/94/03/96/905940396.db2.gz CLCQHARIJTYDLV-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001282677607 905940408 /nfs/dbraw/zinc/94/04/08/905940408.db2.gz CLCQHARIJTYDLV-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001283533049 907554113 /nfs/dbraw/zinc/55/41/13/907554113.db2.gz RVDYJBGFGBYFBM-RDJZCZTQSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000068085006 353087071 /nfs/dbraw/zinc/08/70/71/353087071.db2.gz OANBAHWNFVVIOO-QGZVFWFLSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC000073640462 353263686 /nfs/dbraw/zinc/26/36/86/353263686.db2.gz MZUNMGFROQDLMH-IRXDYDNUSA-N 2 1 323.481 1.522 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC000073640462 353263688 /nfs/dbraw/zinc/26/36/88/353263688.db2.gz MZUNMGFROQDLMH-IRXDYDNUSA-N 2 1 323.481 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074325643 353307397 /nfs/dbraw/zinc/30/73/97/353307397.db2.gz STIAUJQREAZTCF-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)CC23CCCCC3)CC1 ZINC000081801820 353693415 /nfs/dbraw/zinc/69/34/15/353693415.db2.gz FHIXLYVIXFBBQB-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP N#CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000595614748 356578493 /nfs/dbraw/zinc/57/84/93/356578493.db2.gz NJRLZEOZEHEIRE-AWEZNQCLSA-N 2 1 304.438 1.355 20 30 DDEDMP N#CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000595614748 356578496 /nfs/dbraw/zinc/57/84/96/356578496.db2.gz NJRLZEOZEHEIRE-AWEZNQCLSA-N 2 1 304.438 1.355 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C#N)CCCC1 ZINC000596643750 356940311 /nfs/dbraw/zinc/94/03/11/356940311.db2.gz JPWWQPACQIJNLL-HNNXBMFYSA-N 2 1 323.485 1.642 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC1(C#N)CCCC1 ZINC000596643750 356940314 /nfs/dbraw/zinc/94/03/14/356940314.db2.gz JPWWQPACQIJNLL-HNNXBMFYSA-N 2 1 323.485 1.642 20 30 DDEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000598721074 357702945 /nfs/dbraw/zinc/70/29/45/357702945.db2.gz RMVIBPTZEHSIHS-OAHLLOKOSA-N 2 1 309.454 1.522 20 30 DDEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000599298511 357881781 /nfs/dbraw/zinc/88/17/81/357881781.db2.gz ULUMSEQSYGJOIP-DLBZAZTESA-N 2 1 321.465 1.475 20 30 DDEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000599298513 357882071 /nfs/dbraw/zinc/88/20/71/357882071.db2.gz ULUMSEQSYGJOIP-IRXDYDNUSA-N 2 1 321.465 1.475 20 30 DDEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600721371 358295159 /nfs/dbraw/zinc/29/51/59/358295159.db2.gz LNOSLGVWBHQGCR-HOTGVXAUSA-N 2 1 309.454 1.379 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000602551497 359041252 /nfs/dbraw/zinc/04/12/52/359041252.db2.gz OROYMFXNPHGYIC-IAGOWNOFSA-N 2 1 323.481 1.912 20 30 DDEDMP N#Cc1ccc(CCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000603249558 359514705 /nfs/dbraw/zinc/51/47/05/359514705.db2.gz YOVLCNCDQQEDQE-UHFFFAOYSA-N 2 1 324.432 1.358 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000106339278 194198314 /nfs/dbraw/zinc/19/83/14/194198314.db2.gz RZMDIPYPTXEURY-CQSZACIVSA-N 2 1 308.470 1.809 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000104168683 407348513 /nfs/dbraw/zinc/34/85/13/407348513.db2.gz STFVWXTUEHUWPW-AWEZNQCLSA-N 2 1 304.438 1.374 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(C)=O)c1 ZINC000104161864 407348746 /nfs/dbraw/zinc/34/87/46/407348746.db2.gz IYYFZRHUMJSQHA-INIZCTEOSA-N 2 1 317.437 1.534 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000154169443 407987376 /nfs/dbraw/zinc/98/73/76/407987376.db2.gz IRCUVJLNHXCEMH-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP COc1ccc(C#N)cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182965263 408294894 /nfs/dbraw/zinc/29/48/94/408294894.db2.gz AHXOOOYANBKORR-UHFFFAOYSA-N 2 1 316.449 1.636 20 30 DDEDMP COCC1=CCN(CC#CC[N@@H+]2CC=C(COC)CC2)CC1 ZINC000284119357 409279836 /nfs/dbraw/zinc/27/98/36/409279836.db2.gz NNLUHYBOOJDLAR-UHFFFAOYSA-N 2 1 304.434 1.547 20 30 DDEDMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000304343760 409611560 /nfs/dbraw/zinc/61/15/60/409611560.db2.gz ZTMNHBHJBJLHAJ-IAGOWNOFSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000304343760 409611566 /nfs/dbraw/zinc/61/15/66/409611566.db2.gz ZTMNHBHJBJLHAJ-IAGOWNOFSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000304343760 409611572 /nfs/dbraw/zinc/61/15/72/409611572.db2.gz ZTMNHBHJBJLHAJ-IAGOWNOFSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000304343760 409611580 /nfs/dbraw/zinc/61/15/80/409611580.db2.gz ZTMNHBHJBJLHAJ-IAGOWNOFSA-N 2 1 317.433 1.572 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000328288449 409930510 /nfs/dbraw/zinc/93/05/10/409930510.db2.gz QWDNRQGWAJNVKZ-CQSZACIVSA-N 2 1 310.825 1.624 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000328288449 409930518 /nfs/dbraw/zinc/93/05/18/409930518.db2.gz QWDNRQGWAJNVKZ-CQSZACIVSA-N 2 1 310.825 1.624 20 30 DDEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21 ZINC000360790512 418519283 /nfs/dbraw/zinc/51/92/83/418519283.db2.gz AWIIYVPJLLTMDF-TWMKSMIVSA-N 2 1 309.454 1.784 20 30 DDEDMP C(#CC[N@H+]1CCC[C@]12CCOC2)C[NH+]1CCC[C@]12CCOC2 ZINC000366948093 418541179 /nfs/dbraw/zinc/54/11/79/418541179.db2.gz VLHVTBONHKEARV-QZTJIDSGSA-N 2 1 304.434 1.500 20 30 DDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367307999 418582974 /nfs/dbraw/zinc/58/29/74/418582974.db2.gz BBHGEPDSAMSESE-HUUCEWRRSA-N 2 1 305.466 1.873 20 30 DDEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261985814 222265824 /nfs/dbraw/zinc/26/58/24/222265824.db2.gz QACMHBDNWPSLPM-GOEBONIOSA-N 3 1 318.469 1.436 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261985814 222265827 /nfs/dbraw/zinc/26/58/27/222265827.db2.gz QACMHBDNWPSLPM-GOEBONIOSA-N 2 1 318.469 1.436 20 30 DDEDMP CCc1cnc(CNC(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)=[NH+]C)s1 ZINC000261994388 222267844 /nfs/dbraw/zinc/26/78/44/222267844.db2.gz SBSDPVDEPKWWMM-FZMZJTMJSA-N 2 1 321.494 1.853 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)Cc1cc(Cl)cn1C ZINC000261730568 222255873 /nfs/dbraw/zinc/25/58/73/222255873.db2.gz JKEFPFYGYHYYDV-ZDUSSCGKSA-N 2 1 311.861 1.780 20 30 DDEDMP CC[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261947014 222263368 /nfs/dbraw/zinc/26/33/68/222263368.db2.gz GEWJWGQXVHTZGY-BLLLJJGKSA-N 2 1 316.453 1.323 20 30 DDEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262376409 222278022 /nfs/dbraw/zinc/27/80/22/222278022.db2.gz JPHKKDJJULWZJV-SLBVQIDZSA-N 2 1 320.481 1.592 20 30 DDEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262376409 222278024 /nfs/dbraw/zinc/27/80/24/222278024.db2.gz JPHKKDJJULWZJV-SLBVQIDZSA-N 2 1 320.481 1.592 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262444400 222281084 /nfs/dbraw/zinc/28/10/84/222281084.db2.gz VCIWVQPDZMGUTK-BEAPCOKYSA-N 2 1 306.454 1.202 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262444400 222281090 /nfs/dbraw/zinc/28/10/90/222281090.db2.gz VCIWVQPDZMGUTK-BEAPCOKYSA-N 2 1 306.454 1.202 20 30 DDEDMP COc1ccccc1[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCC1 ZINC000262683719 222289705 /nfs/dbraw/zinc/28/97/05/222289705.db2.gz XMWMEJQWBZQUEG-HIFRSBDPSA-N 2 1 302.422 1.769 20 30 DDEDMP COc1ccccc1[C@@H](CNC1=[NH+]CCN1C)[NH+]1CCCC1 ZINC000262683128 222290203 /nfs/dbraw/zinc/29/02/03/222290203.db2.gz XEOWTWRPEJMVPN-OAHLLOKOSA-N 2 1 302.422 1.723 20 30 DDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)C1 ZINC000264073744 222313871 /nfs/dbraw/zinc/31/38/71/222313871.db2.gz FAIDOIVOXVRBKD-AWEZNQCLSA-N 2 1 320.437 1.450 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCn2cc[nH+]c2C)cc1OC ZINC000264083117 222314568 /nfs/dbraw/zinc/31/45/68/222314568.db2.gz ICQBEIJXUHGTHQ-UHFFFAOYSA-N 2 1 303.366 1.636 20 30 DDEDMP C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000375461320 418642593 /nfs/dbraw/zinc/64/25/93/418642593.db2.gz FJEIZZAOLIXDSS-QGZVFWFLSA-N 2 1 316.424 1.909 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000368016523 418675294 /nfs/dbraw/zinc/67/52/94/418675294.db2.gz CFIQSTLBGDWTGV-DOTOQJQBSA-N 2 1 320.481 1.763 20 30 DDEDMP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000425536881 420410736 /nfs/dbraw/zinc/41/07/36/420410736.db2.gz PMXVHZPWDWFBLB-HNNXBMFYSA-N 2 1 314.433 1.715 20 30 DDEDMP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000425536881 420410742 /nfs/dbraw/zinc/41/07/42/420410742.db2.gz PMXVHZPWDWFBLB-HNNXBMFYSA-N 2 1 314.433 1.715 20 30 DDEDMP C[N@@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C[C@@H]1c1ccccc1 ZINC000559855213 421228219 /nfs/dbraw/zinc/22/82/19/421228219.db2.gz MPSVKMMXMFADJF-JKSUJKDBSA-N 2 1 310.405 1.575 20 30 DDEDMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C[C@@H]1c1ccccc1 ZINC000559855213 421228222 /nfs/dbraw/zinc/22/82/22/421228222.db2.gz MPSVKMMXMFADJF-JKSUJKDBSA-N 2 1 310.405 1.575 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000491658344 421200943 /nfs/dbraw/zinc/20/09/43/421200943.db2.gz VZNUMRMCUKNFRS-INIZCTEOSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000491658344 421200944 /nfs/dbraw/zinc/20/09/44/421200944.db2.gz VZNUMRMCUKNFRS-INIZCTEOSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000491658344 421200946 /nfs/dbraw/zinc/20/09/46/421200946.db2.gz VZNUMRMCUKNFRS-INIZCTEOSA-N 2 1 308.470 1.457 20 30 DDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000557874807 421793061 /nfs/dbraw/zinc/79/30/61/421793061.db2.gz CIBOXJPEDZNWIY-CRAIPNDOSA-N 2 1 312.417 1.786 20 30 DDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000557874807 421793065 /nfs/dbraw/zinc/79/30/65/421793065.db2.gz CIBOXJPEDZNWIY-CRAIPNDOSA-N 2 1 312.417 1.786 20 30 DDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103616 423336398 /nfs/dbraw/zinc/33/63/98/423336398.db2.gz KVKSYKJTHVYLNH-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103616 423336404 /nfs/dbraw/zinc/33/64/04/423336404.db2.gz KVKSYKJTHVYLNH-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000567463971 308081096 /nfs/dbraw/zinc/08/10/96/308081096.db2.gz AFYYWGNOHSUXEU-MRXNPFEDSA-N 2 1 314.389 1.483 20 30 DDEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424144389 534436050 /nfs/dbraw/zinc/43/60/50/534436050.db2.gz XKIFCONSNDUZJV-MJBXVCDLSA-N 2 1 310.442 1.012 20 30 DDEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424144389 534436064 /nfs/dbraw/zinc/43/60/64/534436064.db2.gz XKIFCONSNDUZJV-MJBXVCDLSA-N 2 1 310.442 1.012 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000491297256 526812270 /nfs/dbraw/zinc/81/22/70/526812270.db2.gz PMBVNJGBLJXXDT-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000491785536 526827708 /nfs/dbraw/zinc/82/77/08/526827708.db2.gz SKLOSXGZJISDLA-HNNXBMFYSA-N 2 1 315.417 1.452 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000491785536 526827711 /nfs/dbraw/zinc/82/77/11/526827711.db2.gz SKLOSXGZJISDLA-HNNXBMFYSA-N 2 1 315.417 1.452 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000490781078 526924432 /nfs/dbraw/zinc/92/44/32/526924432.db2.gz VNDJFUUELQHCDW-UHFFFAOYSA-N 2 1 300.406 1.263 20 30 DDEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861059 695111513 /nfs/dbraw/zinc/11/15/13/695111513.db2.gz HSFNGEHJUDGQEF-CQSZACIVSA-N 2 1 311.857 1.900 20 30 DDEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861059 695111514 /nfs/dbraw/zinc/11/15/14/695111514.db2.gz HSFNGEHJUDGQEF-CQSZACIVSA-N 2 1 311.857 1.900 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974680484 695710730 /nfs/dbraw/zinc/71/07/30/695710730.db2.gz IQMRSXUVFKPCOV-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974680484 695710732 /nfs/dbraw/zinc/71/07/32/695710732.db2.gz IQMRSXUVFKPCOV-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974680484 695710733 /nfs/dbraw/zinc/71/07/33/695710733.db2.gz IQMRSXUVFKPCOV-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C(C)(C)C1 ZINC000977656319 696246283 /nfs/dbraw/zinc/24/62/83/696246283.db2.gz POAKHKXZOXUKJW-KRWDZBQOSA-N 2 1 315.461 1.182 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978141846 696330388 /nfs/dbraw/zinc/33/03/88/696330388.db2.gz JSOGKUVSBWFFCA-FPCVCCKLSA-N 2 1 323.868 1.375 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978224607 696345255 /nfs/dbraw/zinc/34/52/55/696345255.db2.gz ADFMFISKNZOSKK-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978224607 696345256 /nfs/dbraw/zinc/34/52/56/696345256.db2.gz ADFMFISKNZOSKK-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978224607 696345260 /nfs/dbraw/zinc/34/52/60/696345260.db2.gz ADFMFISKNZOSKK-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978235968 696347507 /nfs/dbraw/zinc/34/75/07/696347507.db2.gz VXVQICAEYLGEQI-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978235968 696347510 /nfs/dbraw/zinc/34/75/10/696347510.db2.gz VXVQICAEYLGEQI-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978235968 696347511 /nfs/dbraw/zinc/34/75/11/696347511.db2.gz VXVQICAEYLGEQI-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083131074 696551669 /nfs/dbraw/zinc/55/16/69/696551669.db2.gz MHIUQZZWKTYLKA-NSHDSACASA-N 2 1 318.450 1.298 20 30 DDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083131074 696551670 /nfs/dbraw/zinc/55/16/70/696551670.db2.gz MHIUQZZWKTYLKA-NSHDSACASA-N 2 1 318.450 1.298 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980141056 696690665 /nfs/dbraw/zinc/69/06/65/696690665.db2.gz LTJOKLAOOGFFRC-GVDBMIGSSA-N 2 1 322.412 1.798 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772043 696910357 /nfs/dbraw/zinc/91/03/57/696910357.db2.gz KZKWFDJUHOFCMQ-KRWDZBQOSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC=C)C2 ZINC000981818793 696930304 /nfs/dbraw/zinc/93/03/04/696930304.db2.gz DJHPEMBOIYCMST-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC=C)C2 ZINC000981818793 696930306 /nfs/dbraw/zinc/93/03/06/696930306.db2.gz DJHPEMBOIYCMST-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC=C)C2 ZINC000981818793 696930308 /nfs/dbraw/zinc/93/03/08/696930308.db2.gz DJHPEMBOIYCMST-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC=C)C2 ZINC000981818793 696930309 /nfs/dbraw/zinc/93/03/09/696930309.db2.gz DJHPEMBOIYCMST-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982084958 697025801 /nfs/dbraw/zinc/02/58/01/697025801.db2.gz UIXKZDRQJTUMPF-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982084255 697026081 /nfs/dbraw/zinc/02/60/81/697026081.db2.gz IHVUYJCADRQBRO-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981229617 697040866 /nfs/dbraw/zinc/04/08/66/697040866.db2.gz BXTQXUFFBDLMEW-GJZGRUSLSA-N 2 1 314.433 1.412 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000985495761 697519655 /nfs/dbraw/zinc/51/96/55/697519655.db2.gz KJDASNOBPGYACM-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000985495761 697519656 /nfs/dbraw/zinc/51/96/56/697519656.db2.gz KJDASNOBPGYACM-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000985495761 697519657 /nfs/dbraw/zinc/51/96/57/697519657.db2.gz KJDASNOBPGYACM-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000985729134 697564335 /nfs/dbraw/zinc/56/43/35/697564335.db2.gz IAUONTSAQWONTB-UHFFFAOYSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000985729134 697564336 /nfs/dbraw/zinc/56/43/36/697564336.db2.gz IAUONTSAQWONTB-UHFFFAOYSA-N 2 1 323.400 1.437 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000303881805 698609151 /nfs/dbraw/zinc/60/91/51/698609151.db2.gz LDKNESXZVNADSU-NEPJUHHUSA-N 2 1 321.391 1.012 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303892698 698609793 /nfs/dbraw/zinc/60/97/93/698609793.db2.gz RJZLMTCWHWVBNF-HZPDHXFCSA-N 3 1 309.502 1.497 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)C[NH+]1CCOCC1 ZINC000304756540 698624088 /nfs/dbraw/zinc/62/40/88/698624088.db2.gz NTFXOXZXEKTDER-HNNXBMFYSA-N 2 1 304.438 1.102 20 30 DDEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NCC1CCC1 ZINC000305827820 698658175 /nfs/dbraw/zinc/65/81/75/698658175.db2.gz RUIUGTCZJBTKAU-QGZVFWFLSA-N 2 1 316.449 1.458 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989732125 698744798 /nfs/dbraw/zinc/74/47/98/698744798.db2.gz DEXIRQFDHANEDS-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989732125 698744801 /nfs/dbraw/zinc/74/48/01/698744801.db2.gz DEXIRQFDHANEDS-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990685103 699131470 /nfs/dbraw/zinc/13/14/70/699131470.db2.gz MHMVOOKNYICQIS-YQVWRLOYSA-N 2 1 315.461 1.465 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000764614151 700978862 /nfs/dbraw/zinc/97/88/62/700978862.db2.gz SWCYAYWUFUMPEZ-UHFFFAOYSA-N 2 1 317.437 1.296 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817922516 702522782 /nfs/dbraw/zinc/52/27/82/702522782.db2.gz XNKQCXASSDYWPF-SOUVJXGZSA-N 2 1 300.468 1.488 20 30 DDEDMP C#CCOc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000854230968 704368860 /nfs/dbraw/zinc/36/88/60/704368860.db2.gz FURCOORHBQEJFU-LBPRGKRZSA-N 2 1 312.373 1.504 20 30 DDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857235255 704568109 /nfs/dbraw/zinc/56/81/09/704568109.db2.gz PZXOGJFPBGZNSW-HNNXBMFYSA-N 2 1 313.405 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000862629929 705758445 /nfs/dbraw/zinc/75/84/45/705758445.db2.gz DJLPAPYKZNNVCF-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876782634 705875228 /nfs/dbraw/zinc/87/52/28/705875228.db2.gz RDIJNOVYAKEFGQ-OCBCSQNSSA-N 2 1 324.428 1.344 20 30 DDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876782634 705875229 /nfs/dbraw/zinc/87/52/29/705875229.db2.gz RDIJNOVYAKEFGQ-OCBCSQNSSA-N 2 1 324.428 1.344 20 30 DDEDMP C#CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000829784478 706395634 /nfs/dbraw/zinc/39/56/34/706395634.db2.gz KQLANMMMMYKDBW-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000884195074 708182566 /nfs/dbraw/zinc/18/25/66/708182566.db2.gz ATSMMMSHIYGYLI-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000884195074 708182569 /nfs/dbraw/zinc/18/25/69/708182569.db2.gz ATSMMMSHIYGYLI-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884195396 708182580 /nfs/dbraw/zinc/18/25/80/708182580.db2.gz LNPSYCRJCPVBCX-IDSHBHDBSA-N 2 1 315.421 1.083 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000899911854 709235095 /nfs/dbraw/zinc/23/50/95/709235095.db2.gz ZWMYDZOOWOINRT-MRXNPFEDSA-N 2 1 315.417 1.468 20 30 DDEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894376126 711094910 /nfs/dbraw/zinc/09/49/10/711094910.db2.gz PLVZICFHTZRUAP-KRWDZBQOSA-N 2 1 322.497 1.703 20 30 DDEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCc1ccoc1 ZINC000912499671 711353340 /nfs/dbraw/zinc/35/33/40/711353340.db2.gz XXQBKRZXSAOLMQ-UHFFFAOYSA-N 2 1 322.453 1.836 20 30 DDEDMP COCC[NH+]=C(NC[C@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000912509301 711357650 /nfs/dbraw/zinc/35/76/50/711357650.db2.gz ARWHDIXFJZPXLI-CQSZACIVSA-N 2 1 314.474 1.077 20 30 DDEDMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309515 714306512 /nfs/dbraw/zinc/30/65/12/714306512.db2.gz QVTOLFKTUCXHRN-INIZCTEOSA-N 2 1 317.389 1.961 20 30 DDEDMP N#Cc1sccc1N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923387159 714337696 /nfs/dbraw/zinc/33/76/96/714337696.db2.gz VHRNNGOLUBSBEW-ZDUSSCGKSA-N 2 1 318.446 1.120 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000964030349 717970873 /nfs/dbraw/zinc/97/08/73/717970873.db2.gz JUSODTVAYDSWLB-VIIJNVHASA-N 2 1 315.461 1.654 20 30 DDEDMP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)nc1 ZINC000925892477 714957442 /nfs/dbraw/zinc/95/74/42/714957442.db2.gz BNTSAFBJAQITGN-XHSDSOJGSA-N 2 1 315.421 1.112 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960277401 716477856 /nfs/dbraw/zinc/47/78/56/716477856.db2.gz CSAWMAJPJCGSMD-CBZIJGRNSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960277401 716477857 /nfs/dbraw/zinc/47/78/57/716477857.db2.gz CSAWMAJPJCGSMD-CBZIJGRNSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC000960277401 716477860 /nfs/dbraw/zinc/47/78/60/716477860.db2.gz CSAWMAJPJCGSMD-CBZIJGRNSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960285988 716480313 /nfs/dbraw/zinc/48/03/13/716480313.db2.gz DHVXBUCBWLOMQW-LISAXSMJSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960285988 716480315 /nfs/dbraw/zinc/48/03/15/716480315.db2.gz DHVXBUCBWLOMQW-LISAXSMJSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960285988 716480319 /nfs/dbraw/zinc/48/03/19/716480319.db2.gz DHVXBUCBWLOMQW-LISAXSMJSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC2)CC1 ZINC000961029712 716767996 /nfs/dbraw/zinc/76/79/96/716767996.db2.gz XELRFMSNYFIYTP-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555981 717741827 /nfs/dbraw/zinc/74/18/27/717741827.db2.gz SPCXAXOYJWWEKK-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000965912322 717811079 /nfs/dbraw/zinc/81/10/79/717811079.db2.gz LSHZNTDQHGUATL-BAYAOMGESA-N 2 1 311.857 1.708 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C[C@@H]2C)CC1 ZINC000945183748 718416906 /nfs/dbraw/zinc/41/69/06/718416906.db2.gz SHWTUGSWOUFPSU-FUHWJXTLSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895200 718938082 /nfs/dbraw/zinc/93/80/82/718938082.db2.gz RLGZRSYHMBVVEV-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895200 718938085 /nfs/dbraw/zinc/93/80/85/718938085.db2.gz RLGZRSYHMBVVEV-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902709 718939849 /nfs/dbraw/zinc/93/98/49/718939849.db2.gz WIFXYWYUZZRFER-XLAORIBOSA-N 2 1 317.477 1.663 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000967926429 719091668 /nfs/dbraw/zinc/09/16/68/719091668.db2.gz VBHYSBKWNIBHGA-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417225 719572693 /nfs/dbraw/zinc/57/26/93/719572693.db2.gz DMYUIYNFECKCNY-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417225 719572699 /nfs/dbraw/zinc/57/26/99/719572699.db2.gz DMYUIYNFECKCNY-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706311 719659564 /nfs/dbraw/zinc/65/95/64/719659564.db2.gz ZSHVGRYULFSKMV-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706311 719659568 /nfs/dbraw/zinc/65/95/68/719659568.db2.gz ZSHVGRYULFSKMV-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706311 719659570 /nfs/dbraw/zinc/65/95/70/719659570.db2.gz ZSHVGRYULFSKMV-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706311 719659572 /nfs/dbraw/zinc/65/95/72/719659572.db2.gz ZSHVGRYULFSKMV-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970955156 721008831 /nfs/dbraw/zinc/00/88/31/721008831.db2.gz SRUUQZNKTYEMAZ-AWEZNQCLSA-N 2 1 317.433 1.805 20 30 DDEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971553831 721353161 /nfs/dbraw/zinc/35/31/61/721353161.db2.gz VJERYULFRVTASX-HUUCEWRRSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971553831 721353164 /nfs/dbraw/zinc/35/31/64/721353164.db2.gz VJERYULFRVTASX-HUUCEWRRSA-N 2 1 311.857 1.613 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001023557250 735309067 /nfs/dbraw/zinc/30/90/67/735309067.db2.gz VAJYUAYVSLLQEP-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557250 735309070 /nfs/dbraw/zinc/30/90/70/735309070.db2.gz VAJYUAYVSLLQEP-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560690 735311596 /nfs/dbraw/zinc/31/15/96/735311596.db2.gz UKVIYWWBSVEOTN-HNNXBMFYSA-N 2 1 317.433 1.806 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694810 738558663 /nfs/dbraw/zinc/55/86/63/738558663.db2.gz JCSHGBYYKPJWLC-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC#CCOC)CC1 ZINC001206889234 732814350 /nfs/dbraw/zinc/81/43/50/732814350.db2.gz HLIJUWMHUCEHOT-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039133197 732842975 /nfs/dbraw/zinc/84/29/75/732842975.db2.gz RAAXXLSXGFMDPU-BPQIPLTHSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039133197 732842978 /nfs/dbraw/zinc/84/29/78/732842978.db2.gz RAAXXLSXGFMDPU-BPQIPLTHSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039133197 732842983 /nfs/dbraw/zinc/84/29/83/732842983.db2.gz RAAXXLSXGFMDPU-BPQIPLTHSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022082139 734377581 /nfs/dbraw/zinc/37/75/81/734377581.db2.gz WSHXMNFEBWPFDJ-OAGGEKHMSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023402175 735210653 /nfs/dbraw/zinc/21/06/53/735210653.db2.gz HKKHTYFQYZBCDH-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402175 735210656 /nfs/dbraw/zinc/21/06/56/735210656.db2.gz HKKHTYFQYZBCDH-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448815 735834053 /nfs/dbraw/zinc/83/40/53/735834053.db2.gz ZFAOYAPWYBHSOO-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448815 735834056 /nfs/dbraw/zinc/83/40/56/735834056.db2.gz ZFAOYAPWYBHSOO-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448815 735834061 /nfs/dbraw/zinc/83/40/61/735834061.db2.gz ZFAOYAPWYBHSOO-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024477093 735854975 /nfs/dbraw/zinc/85/49/75/735854975.db2.gz IHBHWIDSXSEJJK-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024477093 735854981 /nfs/dbraw/zinc/85/49/81/735854981.db2.gz IHBHWIDSXSEJJK-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024522869 735898650 /nfs/dbraw/zinc/89/86/50/735898650.db2.gz KJBBJSNBHXETJA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024522869 735898653 /nfs/dbraw/zinc/89/86/53/735898653.db2.gz KJBBJSNBHXETJA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024522869 735898657 /nfs/dbraw/zinc/89/86/57/735898657.db2.gz KJBBJSNBHXETJA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024522869 735898661 /nfs/dbraw/zinc/89/86/61/735898661.db2.gz KJBBJSNBHXETJA-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561638 735939785 /nfs/dbraw/zinc/93/97/85/735939785.db2.gz UEBDZQMVHVNCQL-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561638 735939787 /nfs/dbraw/zinc/93/97/87/735939787.db2.gz UEBDZQMVHVNCQL-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561638 735939790 /nfs/dbraw/zinc/93/97/90/735939790.db2.gz UEBDZQMVHVNCQL-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596327 736775732 /nfs/dbraw/zinc/77/57/32/736775732.db2.gz APWRFAPLIDAISD-GJZGRUSLSA-N 2 1 314.433 1.611 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026100111 737118073 /nfs/dbraw/zinc/11/80/73/737118073.db2.gz WNMPGUBPHZWORU-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026100111 737118076 /nfs/dbraw/zinc/11/80/76/737118076.db2.gz WNMPGUBPHZWORU-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026100111 737118078 /nfs/dbraw/zinc/11/80/78/737118078.db2.gz WNMPGUBPHZWORU-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008050773 737366003 /nfs/dbraw/zinc/36/60/03/737366003.db2.gz DHBLIFIGJCPFEW-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066993 737500856 /nfs/dbraw/zinc/50/08/56/737500856.db2.gz IHUJBIJLUSNXBT-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]12 ZINC001026421892 737521316 /nfs/dbraw/zinc/52/13/16/737521316.db2.gz XWTDXVLQLOEZDO-RBSFLKMASA-N 2 1 322.840 1.771 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417429 738021666 /nfs/dbraw/zinc/02/16/66/738021666.db2.gz ACNZZNCXOXMINO-JKSUJKDBSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001027416919 738275887 /nfs/dbraw/zinc/27/58/87/738275887.db2.gz PHVFSOSHNIGJDS-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001027416919 738275890 /nfs/dbraw/zinc/27/58/90/738275890.db2.gz PHVFSOSHNIGJDS-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000997976827 751436115 /nfs/dbraw/zinc/43/61/15/751436115.db2.gz OGMLHIRSMZRDQM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573065 739669724 /nfs/dbraw/zinc/66/97/24/739669724.db2.gz IIYXMDAMSHXEPJ-AWEZNQCLSA-N 2 1 319.474 1.885 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035376079 751472440 /nfs/dbraw/zinc/47/24/40/751472440.db2.gz OLYWWTYSHXOYHH-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028764673 740008795 /nfs/dbraw/zinc/00/87/95/740008795.db2.gz AQZBWOYUDGJUAC-AWEZNQCLSA-N 2 1 303.406 1.416 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998191266 751583500 /nfs/dbraw/zinc/58/35/00/751583500.db2.gz UGCZXCNDESFXQG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998191266 751583504 /nfs/dbraw/zinc/58/35/04/751583504.db2.gz UGCZXCNDESFXQG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998191266 751583508 /nfs/dbraw/zinc/58/35/08/751583508.db2.gz UGCZXCNDESFXQG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998191266 751583511 /nfs/dbraw/zinc/58/35/11/751583511.db2.gz UGCZXCNDESFXQG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCF)CC[C@@H]2C1 ZINC001087997971 740939469 /nfs/dbraw/zinc/93/94/69/740939469.db2.gz KDIYYUVFCOLUES-IKGGRYGDSA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCF)CC[C@@H]2C1 ZINC001087997971 740939471 /nfs/dbraw/zinc/93/94/71/740939471.db2.gz KDIYYUVFCOLUES-IKGGRYGDSA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCF)CC[C@@H]2C1 ZINC001087997971 740939472 /nfs/dbraw/zinc/93/94/72/740939472.db2.gz KDIYYUVFCOLUES-IKGGRYGDSA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCF)CC[C@@H]2C1 ZINC001087997971 740939473 /nfs/dbraw/zinc/93/94/73/740939473.db2.gz KDIYYUVFCOLUES-IKGGRYGDSA-N 2 1 321.440 1.224 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026143 740957022 /nfs/dbraw/zinc/95/70/22/740957022.db2.gz UNRMBHFFAWPQML-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107981608 751631818 /nfs/dbraw/zinc/63/18/18/751631818.db2.gz AVHVARQFGQNWAW-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107981608 751631821 /nfs/dbraw/zinc/63/18/21/751631821.db2.gz AVHVARQFGQNWAW-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107981608 751631825 /nfs/dbraw/zinc/63/18/25/751631825.db2.gz AVHVARQFGQNWAW-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107981608 751631830 /nfs/dbraw/zinc/63/18/30/751631830.db2.gz AVHVARQFGQNWAW-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883330 741660657 /nfs/dbraw/zinc/66/06/57/741660657.db2.gz YQQMAIMYLKSJAB-HRCADAONSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883330 741660661 /nfs/dbraw/zinc/66/06/61/741660661.db2.gz YQQMAIMYLKSJAB-HRCADAONSA-N 2 1 312.417 1.317 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CN(CC)CCO3)C2)C1 ZINC001040539880 742930882 /nfs/dbraw/zinc/93/08/82/742930882.db2.gz SDCHFNNCBKICPI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040539880 742930889 /nfs/dbraw/zinc/93/08/89/742930889.db2.gz SDCHFNNCBKICPI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040539880 742930895 /nfs/dbraw/zinc/93/08/95/742930895.db2.gz SDCHFNNCBKICPI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040539880 742930901 /nfs/dbraw/zinc/93/09/01/742930901.db2.gz SDCHFNNCBKICPI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040539880 742930906 /nfs/dbraw/zinc/93/09/06/742930906.db2.gz SDCHFNNCBKICPI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717494 751805071 /nfs/dbraw/zinc/80/50/71/751805071.db2.gz KJUIPPIXOALLKT-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001181728863 743312470 /nfs/dbraw/zinc/31/24/70/743312470.db2.gz RCSQOPRFUZFINV-IIDMSEBBSA-N 2 1 314.433 1.468 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629303 743675650 /nfs/dbraw/zinc/67/56/50/743675650.db2.gz BYMIPUNNRUPDDG-JFIYKMOQSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001182692533 743699022 /nfs/dbraw/zinc/69/90/22/743699022.db2.gz MMUPFVLIOHNIBT-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035795136 751881237 /nfs/dbraw/zinc/88/12/37/751881237.db2.gz QIZISNNRVSZWCN-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)CC2 ZINC001035799203 751888693 /nfs/dbraw/zinc/88/86/93/751888693.db2.gz WDEFRGBILQKZQF-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000991998663 744519484 /nfs/dbraw/zinc/51/94/84/744519484.db2.gz YZWPASZDIHRKRO-JENIJYKNSA-N 2 1 315.461 1.607 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001121915142 744914162 /nfs/dbraw/zinc/91/41/62/744914162.db2.gz DDEYRPBAEITUQH-UHFFFAOYSA-N 2 1 321.465 1.302 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190444225 745209399 /nfs/dbraw/zinc/20/93/99/745209399.db2.gz PUCRMELCFZZCNS-OAHLLOKOSA-N 2 1 319.474 1.979 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652836 745284809 /nfs/dbraw/zinc/28/48/09/745284809.db2.gz BHBNVSWJDYUEDU-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190652836 745284813 /nfs/dbraw/zinc/28/48/13/745284813.db2.gz BHBNVSWJDYUEDU-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190652836 745284815 /nfs/dbraw/zinc/28/48/15/745284815.db2.gz BHBNVSWJDYUEDU-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989123 745658799 /nfs/dbraw/zinc/65/87/99/745658799.db2.gz QHPGRFBMILZNNC-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989123 745658800 /nfs/dbraw/zinc/65/88/00/745658800.db2.gz QHPGRFBMILZNNC-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581557 745810789 /nfs/dbraw/zinc/81/07/89/745810789.db2.gz ICPKGONLROTMEP-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099240631 745845803 /nfs/dbraw/zinc/84/58/03/745845803.db2.gz UDRYEYSZLHNWIA-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099240631 745845809 /nfs/dbraw/zinc/84/58/09/745845809.db2.gz UDRYEYSZLHNWIA-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715200 745956935 /nfs/dbraw/zinc/95/69/35/745956935.db2.gz BHONVFUNXFSONA-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488251 746117651 /nfs/dbraw/zinc/11/76/51/746117651.db2.gz NSWFGAHMELFJRU-HOTGVXAUSA-N 2 1 311.470 1.452 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203175238 746848449 /nfs/dbraw/zinc/84/84/49/746848449.db2.gz BTBGEXKOZAUXEG-HUUCEWRRSA-N 2 1 300.406 1.232 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196638530 746919501 /nfs/dbraw/zinc/91/95/01/746919501.db2.gz VFQMYRNROXUFFK-DJIMGWMZSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001196636616 746919643 /nfs/dbraw/zinc/91/96/43/746919643.db2.gz DQLQAVPCBNHYNO-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001197724330 747250796 /nfs/dbraw/zinc/25/07/96/747250796.db2.gz RMYJNRAJFIFKBW-BRWVUGGUSA-N 2 1 317.433 1.027 20 30 DDEDMP C=CCN1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)N(C)CC)C1 ZINC001197724330 747250798 /nfs/dbraw/zinc/25/07/98/747250798.db2.gz RMYJNRAJFIFKBW-BRWVUGGUSA-N 2 1 317.433 1.027 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953204 747658763 /nfs/dbraw/zinc/65/87/63/747658763.db2.gz MEEDDXPBIMEZOW-MRXNPFEDSA-N 2 1 319.449 1.970 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200688411 748311969 /nfs/dbraw/zinc/31/19/69/748311969.db2.gz PKFXSMRQOBMJPW-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC=C)CC1 ZINC001201094762 748409516 /nfs/dbraw/zinc/40/95/16/748409516.db2.gz VSWQNILNHPATBT-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCC=C)CC1 ZINC001201094762 748409520 /nfs/dbraw/zinc/40/95/20/748409520.db2.gz VSWQNILNHPATBT-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986564 748485102 /nfs/dbraw/zinc/48/51/02/748485102.db2.gz VTRYHTCYBPQHLV-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201557769 748545083 /nfs/dbraw/zinc/54/50/83/748545083.db2.gz KHZVJXVRRMYSFX-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004622442 748588926 /nfs/dbraw/zinc/58/89/26/748588926.db2.gz NALMLMAZYOGMAV-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004622442 748588929 /nfs/dbraw/zinc/58/89/29/748588929.db2.gz NALMLMAZYOGMAV-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004622442 748588936 /nfs/dbraw/zinc/58/89/36/748588936.db2.gz NALMLMAZYOGMAV-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202165689 748702675 /nfs/dbraw/zinc/70/26/75/748702675.db2.gz SNYKPNVCIUMFIE-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033201449 748909707 /nfs/dbraw/zinc/90/97/07/748909707.db2.gz DACHBVHICLFJDM-GDBMZVCRSA-N 2 1 300.406 1.002 20 30 DDEDMP CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033201449 748909712 /nfs/dbraw/zinc/90/97/12/748909712.db2.gz DACHBVHICLFJDM-GDBMZVCRSA-N 2 1 300.406 1.002 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153827954 749284367 /nfs/dbraw/zinc/28/43/67/749284367.db2.gz COMANJWIDVAZJA-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423574 749341054 /nfs/dbraw/zinc/34/10/54/749341054.db2.gz SACWMAYPUWWYMF-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343518 761958051 /nfs/dbraw/zinc/95/80/51/761958051.db2.gz UIWUJTFVOGXRGK-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343518 761958056 /nfs/dbraw/zinc/95/80/56/761958056.db2.gz UIWUJTFVOGXRGK-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343518 761958064 /nfs/dbraw/zinc/95/80/64/761958064.db2.gz UIWUJTFVOGXRGK-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnccc2N(C)C)C1 ZINC001033584942 749590135 /nfs/dbraw/zinc/59/01/35/749590135.db2.gz CHTAYASACITJAJ-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033584942 749590142 /nfs/dbraw/zinc/59/01/42/749590142.db2.gz CHTAYASACITJAJ-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001033682318 749710189 /nfs/dbraw/zinc/71/01/89/749710189.db2.gz BISXGFYUPMWGNT-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856676 749995741 /nfs/dbraw/zinc/99/57/41/749995741.db2.gz VEFDROCLDTYYIB-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856676 749995745 /nfs/dbraw/zinc/99/57/45/749995745.db2.gz VEFDROCLDTYYIB-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856676 749995748 /nfs/dbraw/zinc/99/57/48/749995748.db2.gz VEFDROCLDTYYIB-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033935872 750167235 /nfs/dbraw/zinc/16/72/35/750167235.db2.gz JYXLNBLWGHDETC-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033935872 750167239 /nfs/dbraw/zinc/16/72/39/750167239.db2.gz JYXLNBLWGHDETC-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033935872 750167241 /nfs/dbraw/zinc/16/72/41/750167241.db2.gz JYXLNBLWGHDETC-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609155 750234395 /nfs/dbraw/zinc/23/43/95/750234395.db2.gz FLKMXBCOFMXCLG-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609155 750234400 /nfs/dbraw/zinc/23/44/00/750234400.db2.gz FLKMXBCOFMXCLG-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609155 750234409 /nfs/dbraw/zinc/23/44/09/750234409.db2.gz FLKMXBCOFMXCLG-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646545 750308107 /nfs/dbraw/zinc/30/81/07/750308107.db2.gz JSEOBDORBHPNSM-SJLPKXTDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997162324 750641178 /nfs/dbraw/zinc/64/11/78/750641178.db2.gz ITELHGFIAZNRRC-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001039474403 762062594 /nfs/dbraw/zinc/06/25/94/762062594.db2.gz GNEYTNUWHXDODO-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039474403 762062601 /nfs/dbraw/zinc/06/26/01/762062601.db2.gz GNEYTNUWHXDODO-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039474403 762062607 /nfs/dbraw/zinc/06/26/07/762062607.db2.gz GNEYTNUWHXDODO-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039474403 762062617 /nfs/dbraw/zinc/06/26/17/762062617.db2.gz GNEYTNUWHXDODO-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001032443275 750856532 /nfs/dbraw/zinc/85/65/32/750856532.db2.gz PZLKQLWMFCOALW-ULQDDVLXSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443275 750856538 /nfs/dbraw/zinc/85/65/38/750856538.db2.gz PZLKQLWMFCOALW-ULQDDVLXSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001032443275 750856546 /nfs/dbraw/zinc/85/65/46/750856546.db2.gz PZLKQLWMFCOALW-ULQDDVLXSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001032444560 750857670 /nfs/dbraw/zinc/85/76/70/750857670.db2.gz CYAJVWBUUJBHPN-KKUMJFAQSA-N 2 1 300.406 1.622 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001032444560 750857680 /nfs/dbraw/zinc/85/76/80/750857680.db2.gz CYAJVWBUUJBHPN-KKUMJFAQSA-N 2 1 300.406 1.622 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001000681028 762084070 /nfs/dbraw/zinc/08/40/70/762084070.db2.gz YFINCUFUXNFXEW-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000681028 762084057 /nfs/dbraw/zinc/08/40/57/762084057.db2.gz YFINCUFUXNFXEW-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001000681028 762084067 /nfs/dbraw/zinc/08/40/67/762084067.db2.gz YFINCUFUXNFXEW-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006117720 753611240 /nfs/dbraw/zinc/61/12/40/753611240.db2.gz ZKIJVUSFEHYNOG-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CC2)CC1 ZINC001032800262 754056055 /nfs/dbraw/zinc/05/60/55/754056055.db2.gz DMBUYVNHBJSTQH-ROUUACIJSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(Cl)CN1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001000852883 762268459 /nfs/dbraw/zinc/26/84/59/762268459.db2.gz VIVLTQBSCKDVOG-HNNXBMFYSA-N 2 1 311.857 1.972 20 30 DDEDMP C=C(Cl)CN1CC=C(CNC(=O)[C@@H]2CCCCN2C)CC1 ZINC001000852883 762268464 /nfs/dbraw/zinc/26/84/64/762268464.db2.gz VIVLTQBSCKDVOG-HNNXBMFYSA-N 2 1 311.857 1.972 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C2 ZINC001169221787 762286559 /nfs/dbraw/zinc/28/65/59/762286559.db2.gz MAVYTGZIJQBQED-QGZVFWFLSA-N 2 1 315.461 1.966 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832502 754543532 /nfs/dbraw/zinc/54/35/32/754543532.db2.gz GZOALPMMWMNKNO-INIZCTEOSA-N 2 1 316.449 1.768 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014730896 755911545 /nfs/dbraw/zinc/91/15/45/755911545.db2.gz XVXMAKKOJKXRNT-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014730896 755911547 /nfs/dbraw/zinc/91/15/47/755911547.db2.gz XVXMAKKOJKXRNT-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014730896 755911548 /nfs/dbraw/zinc/91/15/48/755911548.db2.gz XVXMAKKOJKXRNT-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014730896 755911549 /nfs/dbraw/zinc/91/15/49/755911549.db2.gz XVXMAKKOJKXRNT-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)CN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200176 756674151 /nfs/dbraw/zinc/67/41/51/756674151.db2.gz UVSYHZLRTYYYQL-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200176 756674152 /nfs/dbraw/zinc/67/41/52/756674152.db2.gz UVSYHZLRTYYYQL-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082200176 756674155 /nfs/dbraw/zinc/67/41/55/756674155.db2.gz UVSYHZLRTYYYQL-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200176 756674159 /nfs/dbraw/zinc/67/41/59/756674159.db2.gz UVSYHZLRTYYYQL-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001082329999 756734418 /nfs/dbraw/zinc/73/44/18/756734418.db2.gz WWMCFPCKTJGSQW-GDBMZVCRSA-N 2 1 318.421 1.153 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](OC)C1 ZINC001082329999 756734421 /nfs/dbraw/zinc/73/44/21/756734421.db2.gz WWMCFPCKTJGSQW-GDBMZVCRSA-N 2 1 318.421 1.153 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513392 756836213 /nfs/dbraw/zinc/83/62/13/756836213.db2.gz MPYMZMKCGXVHDZ-SOLBZPMBSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001016337680 756935752 /nfs/dbraw/zinc/93/57/52/756935752.db2.gz TUDWJYYJDOTBLN-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087504 757128317 /nfs/dbraw/zinc/12/83/17/757128317.db2.gz NEGUQMKGTKQSFS-VVLHAWIVSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087504 757128319 /nfs/dbraw/zinc/12/83/19/757128319.db2.gz NEGUQMKGTKQSFS-VVLHAWIVSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087504 757128320 /nfs/dbraw/zinc/12/83/20/757128320.db2.gz NEGUQMKGTKQSFS-VVLHAWIVSA-N 2 1 321.465 1.204 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396540 762523690 /nfs/dbraw/zinc/52/36/90/762523690.db2.gz VFSZIAJFICLCKB-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396540 762523693 /nfs/dbraw/zinc/52/36/93/762523693.db2.gz VFSZIAJFICLCKB-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396540 762523696 /nfs/dbraw/zinc/52/36/96/762523696.db2.gz VFSZIAJFICLCKB-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083175434 757179022 /nfs/dbraw/zinc/17/90/22/757179022.db2.gz WUTNRXCLFXAWPD-LUKYLMHMSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083175434 757179024 /nfs/dbraw/zinc/17/90/24/757179024.db2.gz WUTNRXCLFXAWPD-LUKYLMHMSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083175434 757179028 /nfs/dbraw/zinc/17/90/28/757179028.db2.gz WUTNRXCLFXAWPD-LUKYLMHMSA-N 2 1 321.465 1.204 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016929223 757483576 /nfs/dbraw/zinc/48/35/76/757483576.db2.gz CHWCAPWOQSRKOY-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016929220 757484316 /nfs/dbraw/zinc/48/43/16/757484316.db2.gz CHWCAPWOQSRKOY-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016931718 757486627 /nfs/dbraw/zinc/48/66/27/757486627.db2.gz VQCFAMXPVYEUPC-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001017147633 757672127 /nfs/dbraw/zinc/67/21/27/757672127.db2.gz CGVWZMOJNFIMPN-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001017147633 757672133 /nfs/dbraw/zinc/67/21/33/757672133.db2.gz CGVWZMOJNFIMPN-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001017147633 757672134 /nfs/dbraw/zinc/67/21/34/757672134.db2.gz CGVWZMOJNFIMPN-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)C(C)C)C1 ZINC001017147633 757672142 /nfs/dbraw/zinc/67/21/42/757672142.db2.gz CGVWZMOJNFIMPN-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)C(C)C)C1 ZINC001017147633 757672149 /nfs/dbraw/zinc/67/21/49/757672149.db2.gz CGVWZMOJNFIMPN-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530309 762579856 /nfs/dbraw/zinc/57/98/56/762579856.db2.gz VXQBAHCYQOSXER-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040530309 762579863 /nfs/dbraw/zinc/57/98/63/762579863.db2.gz VXQBAHCYQOSXER-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143304 762587184 /nfs/dbraw/zinc/58/71/84/762587184.db2.gz DZGLTTJOVZKEST-MRXNPFEDSA-N 2 1 312.417 1.135 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143304 762587190 /nfs/dbraw/zinc/58/71/90/762587190.db2.gz DZGLTTJOVZKEST-MRXNPFEDSA-N 2 1 312.417 1.135 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017789868 758242817 /nfs/dbraw/zinc/24/28/17/758242817.db2.gz BLUSSCCMOSKQBS-IYBDPMFKSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001017789868 758242824 /nfs/dbraw/zinc/24/28/24/758242824.db2.gz BLUSSCCMOSKQBS-IYBDPMFKSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145331 759222267 /nfs/dbraw/zinc/22/22/67/759222267.db2.gz NMXRLPQJYNWKAP-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001253143 762699317 /nfs/dbraw/zinc/69/93/17/762699317.db2.gz QSOSPYUJBVCXNR-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001253143 762699320 /nfs/dbraw/zinc/69/93/20/762699320.db2.gz QSOSPYUJBVCXNR-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001253143 762699325 /nfs/dbraw/zinc/69/93/25/762699325.db2.gz QSOSPYUJBVCXNR-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097958242 760021612 /nfs/dbraw/zinc/02/16/12/760021612.db2.gz GGHGLHIBSYMYGE-OAGGEKHMSA-N 2 1 314.433 1.751 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097958242 760021622 /nfs/dbraw/zinc/02/16/22/760021622.db2.gz GGHGLHIBSYMYGE-OAGGEKHMSA-N 2 1 314.433 1.751 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001054827888 760115811 /nfs/dbraw/zinc/11/58/11/760115811.db2.gz YPIVLJGEJDWPTP-ZBFHGGJFSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001098393791 760228009 /nfs/dbraw/zinc/22/80/09/760228009.db2.gz MGCHWEKPKBTOND-UHFFFAOYSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098393791 760228015 /nfs/dbraw/zinc/22/80/15/760228015.db2.gz MGCHWEKPKBTOND-UHFFFAOYSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098393791 760228020 /nfs/dbraw/zinc/22/80/20/760228020.db2.gz MGCHWEKPKBTOND-UHFFFAOYSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213987 760387802 /nfs/dbraw/zinc/38/78/02/760387802.db2.gz WCUMGMFCZCMSFM-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213987 760387813 /nfs/dbraw/zinc/38/78/13/760387813.db2.gz WCUMGMFCZCMSFM-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213987 760387823 /nfs/dbraw/zinc/38/78/23/760387823.db2.gz WCUMGMFCZCMSFM-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085929883 760558070 /nfs/dbraw/zinc/55/80/70/760558070.db2.gz IVUKCRFQZZDGHQ-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC001085929883 760558071 /nfs/dbraw/zinc/55/80/71/760558071.db2.gz IVUKCRFQZZDGHQ-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038357413 761044352 /nfs/dbraw/zinc/04/43/52/761044352.db2.gz OTMIJTJBFYCAAI-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038357413 761044361 /nfs/dbraw/zinc/04/43/61/761044361.db2.gz OTMIJTJBFYCAAI-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000159481 761547694 /nfs/dbraw/zinc/54/76/94/761547694.db2.gz AUIJLOMTKREPOP-GDBMZVCRSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000204021 761572322 /nfs/dbraw/zinc/57/23/22/761572322.db2.gz YLMKJFUTBVPAFR-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000331103 761647898 /nfs/dbraw/zinc/64/78/98/761647898.db2.gz AMFDNYCJTKBHJU-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040936963 762738192 /nfs/dbraw/zinc/73/81/92/762738192.db2.gz RKCQUJKIHGUMIB-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cncc3C)C2)C1 ZINC001041475022 763060155 /nfs/dbraw/zinc/06/01/55/763060155.db2.gz HDVLUROKHWZZBF-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041475022 763060158 /nfs/dbraw/zinc/06/01/58/763060158.db2.gz HDVLUROKHWZZBF-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041475022 763060163 /nfs/dbraw/zinc/06/01/63/763060163.db2.gz HDVLUROKHWZZBF-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050159348 763237219 /nfs/dbraw/zinc/23/72/19/763237219.db2.gz NZLPHPZFVRVYBK-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042132032 763688708 /nfs/dbraw/zinc/68/87/08/763688708.db2.gz CBIWGMMBRSQHDG-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314667 763904238 /nfs/dbraw/zinc/90/42/38/763904238.db2.gz USBYZDGKEWNEMH-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042367670 763970329 /nfs/dbraw/zinc/97/03/29/763970329.db2.gz JWKDTUOGKJDNOA-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847850 764129516 /nfs/dbraw/zinc/12/95/16/764129516.db2.gz KCCTZJGMCXKJTG-PMPSAXMXSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847850 764129520 /nfs/dbraw/zinc/12/95/20/764129520.db2.gz KCCTZJGMCXKJTG-PMPSAXMXSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447831 765838727 /nfs/dbraw/zinc/83/87/27/765838727.db2.gz NHFCSJBWSVIDBN-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447831 765838732 /nfs/dbraw/zinc/83/87/32/765838732.db2.gz NHFCSJBWSVIDBN-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052489948 765879411 /nfs/dbraw/zinc/87/94/11/765879411.db2.gz RVAHSMZXBOPWGV-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052489948 765879417 /nfs/dbraw/zinc/87/94/17/765879417.db2.gz RVAHSMZXBOPWGV-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489948 765879421 /nfs/dbraw/zinc/87/94/21/765879421.db2.gz RVAHSMZXBOPWGV-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489948 765879428 /nfs/dbraw/zinc/87/94/28/765879428.db2.gz RVAHSMZXBOPWGV-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001052514433 765908510 /nfs/dbraw/zinc/90/85/10/765908510.db2.gz QQXFCKCYZUWNDM-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045437891 766307544 /nfs/dbraw/zinc/30/75/44/766307544.db2.gz HJVHSHBJRKZPFK-INIZCTEOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461359 766322727 /nfs/dbraw/zinc/32/27/27/766322727.db2.gz VWEINHOGPWOULT-AWEZNQCLSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046617063 767742928 /nfs/dbraw/zinc/74/29/28/767742928.db2.gz AJRWPHUJLCNALA-MAUKXSAKSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046617063 767742931 /nfs/dbraw/zinc/74/29/31/767742931.db2.gz AJRWPHUJLCNALA-MAUKXSAKSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132361219 768786874 /nfs/dbraw/zinc/78/68/74/768786874.db2.gz ZUWHRWRGJXIIMF-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132361219 768786879 /nfs/dbraw/zinc/78/68/79/768786879.db2.gz ZUWHRWRGJXIIMF-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132518138 768930624 /nfs/dbraw/zinc/93/06/24/768930624.db2.gz IXMGFLYZJOBMAW-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864307 770012334 /nfs/dbraw/zinc/01/23/34/770012334.db2.gz WRDGYKZWBKTHEK-XHSDSOJGSA-N 2 1 314.433 1.727 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864307 770012343 /nfs/dbraw/zinc/01/23/43/770012343.db2.gz WRDGYKZWBKTHEK-XHSDSOJGSA-N 2 1 314.433 1.727 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001048917781 770107600 /nfs/dbraw/zinc/10/76/00/770107600.db2.gz QVXRZKGISDFISC-CALCHBBNSA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008840 770245489 /nfs/dbraw/zinc/24/54/89/770245489.db2.gz RTPKPVIHAVFOCC-LUKYLMHMSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008840 770245480 /nfs/dbraw/zinc/24/54/80/770245480.db2.gz RTPKPVIHAVFOCC-LUKYLMHMSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008840 770245486 /nfs/dbraw/zinc/24/54/86/770245486.db2.gz RTPKPVIHAVFOCC-LUKYLMHMSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481701 771529365 /nfs/dbraw/zinc/52/93/65/771529365.db2.gz WGHGFTYRPMLFQX-DLBZAZTESA-N 2 1 315.461 1.667 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090615811 772043635 /nfs/dbraw/zinc/04/36/35/772043635.db2.gz KHKPOYWAJIDPND-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090615811 772043638 /nfs/dbraw/zinc/04/36/38/772043638.db2.gz KHKPOYWAJIDPND-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnc(C)s1 ZINC001160198232 772084238 /nfs/dbraw/zinc/08/42/38/772084238.db2.gz YCIXUWNBJRPVPY-HNNXBMFYSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnc(C)s1 ZINC001160198232 772084243 /nfs/dbraw/zinc/08/42/43/772084243.db2.gz YCIXUWNBJRPVPY-HNNXBMFYSA-N 2 1 320.462 1.145 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001091068420 772502736 /nfs/dbraw/zinc/50/27/36/772502736.db2.gz MZNZJTLQWMKZPT-NRXISQOPSA-N 2 1 302.422 1.821 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091564987 772884599 /nfs/dbraw/zinc/88/45/99/772884599.db2.gz BSCBXNUHADHNGI-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091564987 772884600 /nfs/dbraw/zinc/88/46/00/772884600.db2.gz BSCBXNUHADHNGI-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091564987 772884603 /nfs/dbraw/zinc/88/46/03/772884603.db2.gz BSCBXNUHADHNGI-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091564987 772884604 /nfs/dbraw/zinc/88/46/04/772884604.db2.gz BSCBXNUHADHNGI-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001146719685 772925948 /nfs/dbraw/zinc/92/59/48/772925948.db2.gz UJSBMOSTKLXSEC-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001171306788 773149239 /nfs/dbraw/zinc/14/92/39/773149239.db2.gz BBVMWAAWLBPUPX-HOTGVXAUSA-N 2 1 311.445 1.708 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCCF ZINC001171306788 773149244 /nfs/dbraw/zinc/14/92/44/773149244.db2.gz BBVMWAAWLBPUPX-HOTGVXAUSA-N 2 1 311.445 1.708 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627203 773235822 /nfs/dbraw/zinc/23/58/22/773235822.db2.gz HUFIDHKWYLDUKB-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627203 773235823 /nfs/dbraw/zinc/23/58/23/773235823.db2.gz HUFIDHKWYLDUKB-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627203 773235826 /nfs/dbraw/zinc/23/58/26/773235826.db2.gz HUFIDHKWYLDUKB-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073663380 773278280 /nfs/dbraw/zinc/27/82/80/773278280.db2.gz ZPSYMFDYLLIONB-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073663380 773278286 /nfs/dbraw/zinc/27/82/86/773278286.db2.gz ZPSYMFDYLLIONB-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073663380 773278292 /nfs/dbraw/zinc/27/82/92/773278292.db2.gz ZPSYMFDYLLIONB-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697557 773320120 /nfs/dbraw/zinc/32/01/20/773320120.db2.gz MUHQHJZOCSYVKC-MRXNPFEDSA-N 2 1 314.389 1.341 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001148286182 773433101 /nfs/dbraw/zinc/43/31/01/773433101.db2.gz URDJJOOYCWBUFJ-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148286182 773433105 /nfs/dbraw/zinc/43/31/05/773433105.db2.gz URDJJOOYCWBUFJ-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148286182 773433108 /nfs/dbraw/zinc/43/31/08/773433108.db2.gz URDJJOOYCWBUFJ-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445190 773487360 /nfs/dbraw/zinc/48/73/60/773487360.db2.gz NQNZDIIXHCJIMK-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445190 773487363 /nfs/dbraw/zinc/48/73/63/773487363.db2.gz NQNZDIIXHCJIMK-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899276 773509243 /nfs/dbraw/zinc/50/92/43/773509243.db2.gz PLWLUQQXXIBQLG-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899276 773509248 /nfs/dbraw/zinc/50/92/48/773509248.db2.gz PLWLUQQXXIBQLG-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899276 773509252 /nfs/dbraw/zinc/50/92/52/773509252.db2.gz PLWLUQQXXIBQLG-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3cncn3C)C2)C1 ZINC001148604322 773531859 /nfs/dbraw/zinc/53/18/59/773531859.db2.gz CPTKKRIUKILZCI-HNNXBMFYSA-N 2 1 316.449 1.852 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093098524 774389661 /nfs/dbraw/zinc/38/96/61/774389661.db2.gz XKJPSCZALMOYRS-SJLPKXTDSA-N 2 1 319.493 1.814 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036736484 774430076 /nfs/dbraw/zinc/43/00/76/774430076.db2.gz AHRCRZRFYQEKRR-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036736484 774430077 /nfs/dbraw/zinc/43/00/77/774430077.db2.gz AHRCRZRFYQEKRR-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036736484 774430078 /nfs/dbraw/zinc/43/00/78/774430078.db2.gz AHRCRZRFYQEKRR-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801242 774653890 /nfs/dbraw/zinc/65/38/90/774653890.db2.gz INEILWWEBPNBFD-ZBFHGGJFSA-N 2 1 315.417 1.511 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801242 774653892 /nfs/dbraw/zinc/65/38/92/774653892.db2.gz INEILWWEBPNBFD-ZBFHGGJFSA-N 2 1 315.417 1.511 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099121609 774851716 /nfs/dbraw/zinc/85/17/16/774851716.db2.gz DUXUTXOUUQIDAH-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001099121609 774851726 /nfs/dbraw/zinc/85/17/26/774851726.db2.gz DUXUTXOUUQIDAH-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099121609 774851736 /nfs/dbraw/zinc/85/17/36/774851736.db2.gz DUXUTXOUUQIDAH-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099542588 775022234 /nfs/dbraw/zinc/02/22/34/775022234.db2.gz CCROVBZBUXLQRL-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930901 775437513 /nfs/dbraw/zinc/43/75/13/775437513.db2.gz NZLFWYVOIZJRBL-IRXDYDNUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930901 775437515 /nfs/dbraw/zinc/43/75/15/775437515.db2.gz NZLFWYVOIZJRBL-IRXDYDNUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930901 775437517 /nfs/dbraw/zinc/43/75/17/775437517.db2.gz NZLFWYVOIZJRBL-IRXDYDNUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001100046846 775616512 /nfs/dbraw/zinc/61/65/12/775616512.db2.gz TWDBPLIACNRFLW-IAGOWNOFSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036895911 776006422 /nfs/dbraw/zinc/00/64/22/776006422.db2.gz GKYGLAUKLDEBFJ-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001171757021 776446309 /nfs/dbraw/zinc/44/63/09/776446309.db2.gz FIBJOYYXDMGHFW-UHFFFAOYSA-N 2 1 308.451 1.557 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101393960 777115281 /nfs/dbraw/zinc/11/52/81/777115281.db2.gz NNWCPNFGVFCXQT-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101393960 777115287 /nfs/dbraw/zinc/11/52/87/777115287.db2.gz NNWCPNFGVFCXQT-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369835 778101527 /nfs/dbraw/zinc/10/15/27/778101527.db2.gz IGSGCDJJCTUVKN-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369835 778101532 /nfs/dbraw/zinc/10/15/32/778101532.db2.gz IGSGCDJJCTUVKN-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369835 778101536 /nfs/dbraw/zinc/10/15/36/778101536.db2.gz IGSGCDJJCTUVKN-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102385129 778110479 /nfs/dbraw/zinc/11/04/79/778110479.db2.gz UECXORGTRPGBDH-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430462 778134030 /nfs/dbraw/zinc/13/40/30/778134030.db2.gz RHYFNACPTAFDBR-FGTMMUONSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176685597 778211743 /nfs/dbraw/zinc/21/17/43/778211743.db2.gz GEBLFEBFBAPHHR-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176685597 778211747 /nfs/dbraw/zinc/21/17/47/778211747.db2.gz GEBLFEBFBAPHHR-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177124771 778437912 /nfs/dbraw/zinc/43/79/12/778437912.db2.gz LHLHITCMBXJSRH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124771 778437916 /nfs/dbraw/zinc/43/79/16/778437916.db2.gz LHLHITCMBXJSRH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124771 778437919 /nfs/dbraw/zinc/43/79/19/778437919.db2.gz LHLHITCMBXJSRH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124771 778437921 /nfs/dbraw/zinc/43/79/21/778437921.db2.gz LHLHITCMBXJSRH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178106669 778874640 /nfs/dbraw/zinc/87/46/40/778874640.db2.gz HZBHESHERXHNKV-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178106669 778874646 /nfs/dbraw/zinc/87/46/46/778874646.db2.gz HZBHESHERXHNKV-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103644479 778978548 /nfs/dbraw/zinc/97/85/48/778978548.db2.gz BHJCLOVQXPCQHC-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103644479 778978551 /nfs/dbraw/zinc/97/85/51/778978551.db2.gz BHJCLOVQXPCQHC-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103644479 778978555 /nfs/dbraw/zinc/97/85/55/778978555.db2.gz BHJCLOVQXPCQHC-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484354 779069402 /nfs/dbraw/zinc/06/94/02/779069402.db2.gz TWLGGQBHWFRTFI-IRXDYDNUSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178535022 779083184 /nfs/dbraw/zinc/08/31/84/779083184.db2.gz FNZQDPOEJLRBKK-IRXDYDNUSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178536234 779083390 /nfs/dbraw/zinc/08/33/90/779083390.db2.gz RSCOGAOJHQDTSJ-CVEARBPZSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185291 779359056 /nfs/dbraw/zinc/35/90/56/779359056.db2.gz BVZWGXMTXJNEHY-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001119298906 781398614 /nfs/dbraw/zinc/39/86/14/781398614.db2.gz HLCZBEOQCPCNOX-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001119298906 781398623 /nfs/dbraw/zinc/39/86/23/781398623.db2.gz HLCZBEOQCPCNOX-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001271785936 844109576 /nfs/dbraw/zinc/10/95/76/844109576.db2.gz XTELDVZJTXBPAL-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266288340 836058805 /nfs/dbraw/zinc/05/88/05/836058805.db2.gz GCZPIBJOOVDUDR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266288340 836058814 /nfs/dbraw/zinc/05/88/14/836058814.db2.gz GCZPIBJOOVDUDR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266288340 836058826 /nfs/dbraw/zinc/05/88/26/836058826.db2.gz GCZPIBJOOVDUDR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266336336 836136320 /nfs/dbraw/zinc/13/63/20/836136320.db2.gz NNFNZDXFPFWRFU-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001266336336 836136326 /nfs/dbraw/zinc/13/63/26/836136326.db2.gz NNFNZDXFPFWRFU-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001266336336 836136330 /nfs/dbraw/zinc/13/63/30/836136330.db2.gz NNFNZDXFPFWRFU-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266514635 836393955 /nfs/dbraw/zinc/39/39/55/836393955.db2.gz UAAGSAZRJOFYCJ-HUUCEWRRSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266514635 836393969 /nfs/dbraw/zinc/39/39/69/836393969.db2.gz UAAGSAZRJOFYCJ-HUUCEWRRSA-N 2 1 302.422 1.468 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001271880727 844178050 /nfs/dbraw/zinc/17/80/50/844178050.db2.gz WZIGBQJQFPUCGM-IXDOHACOSA-N 2 1 307.482 1.929 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266888965 836998754 /nfs/dbraw/zinc/99/87/54/836998754.db2.gz ABSLPEZEQMCDPZ-CVEARBPZSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266888965 836998759 /nfs/dbraw/zinc/99/87/59/836998759.db2.gz ABSLPEZEQMCDPZ-CVEARBPZSA-N 2 1 302.422 1.432 20 30 DDEDMP COCC#CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001267338092 837854909 /nfs/dbraw/zinc/85/49/09/837854909.db2.gz OZPPXYUHWLHMNT-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001267338092 837854924 /nfs/dbraw/zinc/85/49/24/837854924.db2.gz OZPPXYUHWLHMNT-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001267357963 837903871 /nfs/dbraw/zinc/90/38/71/837903871.db2.gz VDUOBTHOKYHELO-DLBZAZTESA-N 2 1 317.433 1.340 20 30 DDEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001267357963 837903879 /nfs/dbraw/zinc/90/38/79/837903879.db2.gz VDUOBTHOKYHELO-DLBZAZTESA-N 2 1 317.433 1.340 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F ZINC001267451479 838065726 /nfs/dbraw/zinc/06/57/26/838065726.db2.gz FVUUCHWDOJSYEH-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267583302 838363465 /nfs/dbraw/zinc/36/34/65/838363465.db2.gz LMRRTLBTYQDCOV-OAHLLOKOSA-N 2 1 319.453 1.073 20 30 DDEDMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001267598676 838399688 /nfs/dbraw/zinc/39/96/88/838399688.db2.gz MMNXHOQTCMWTNO-MRXNPFEDSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001267598676 838399697 /nfs/dbraw/zinc/39/96/97/838399697.db2.gz MMNXHOQTCMWTNO-MRXNPFEDSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001267598676 838399704 /nfs/dbraw/zinc/39/97/04/838399704.db2.gz MMNXHOQTCMWTNO-MRXNPFEDSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001267598676 838399712 /nfs/dbraw/zinc/39/97/12/838399712.db2.gz MMNXHOQTCMWTNO-MRXNPFEDSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267670772 838615528 /nfs/dbraw/zinc/61/55/28/838615528.db2.gz PIDATRGXNRZZEJ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001268247035 839889072 /nfs/dbraw/zinc/88/90/72/839889072.db2.gz FYGKSOITSJXVQG-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001268247035 839889080 /nfs/dbraw/zinc/88/90/80/839889080.db2.gz FYGKSOITSJXVQG-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268247035 839889086 /nfs/dbraw/zinc/88/90/86/839889086.db2.gz FYGKSOITSJXVQG-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268247035 839889093 /nfs/dbraw/zinc/88/90/93/839889093.db2.gz FYGKSOITSJXVQG-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268322425 839998569 /nfs/dbraw/zinc/99/85/69/839998569.db2.gz DWBZSBIJEDDNTH-HZPDHXFCSA-N 2 1 311.470 1.282 20 30 DDEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001268419329 840158550 /nfs/dbraw/zinc/15/85/50/840158550.db2.gz ZKUPCRSCNDZEGH-RDJZCZTQSA-N 2 1 301.434 1.797 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001268729915 840723150 /nfs/dbraw/zinc/72/31/50/840723150.db2.gz GKRDJMPLJQDRKR-AWEZNQCLSA-N 2 1 307.442 1.071 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001270188265 842365367 /nfs/dbraw/zinc/36/53/67/842365367.db2.gz ONWOWFXFFINYAQ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001270517438 842636866 /nfs/dbraw/zinc/63/68/66/842636866.db2.gz PWKHWBKGFIPDCA-HIFRSBDPSA-N 2 1 304.438 1.672 20 30 DDEDMP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271007263 843127843 /nfs/dbraw/zinc/12/78/43/843127843.db2.gz LMWLHMKCXGFLDU-WMZOPIPTSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001271678755 843777751 /nfs/dbraw/zinc/77/77/51/843777751.db2.gz STAKEPQXASTQTH-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001272435014 846135824 /nfs/dbraw/zinc/13/58/24/846135824.db2.gz NEIAOCMVYLVTOS-HOTGVXAUSA-N 2 1 309.454 1.036 20 30 DDEDMP C=CCNC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273145499 848576695 /nfs/dbraw/zinc/57/66/95/848576695.db2.gz WXXUREJTZDDTAN-HZPDHXFCSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001273322305 849511589 /nfs/dbraw/zinc/51/15/89/849511589.db2.gz DWQYMTMLZYHOOR-HNNXBMFYSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)CC[N@H+](C)CC)CO2 ZINC001327412538 862152718 /nfs/dbraw/zinc/15/27/18/862152718.db2.gz MRHFVOTVXSLERP-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001276035800 854197051 /nfs/dbraw/zinc/19/70/51/854197051.db2.gz KVFXXQZFLBJIRP-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506417 855346807 /nfs/dbraw/zinc/34/68/07/855346807.db2.gz VQTYTGVKTBEVQK-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001151403525 862756110 /nfs/dbraw/zinc/75/61/10/862756110.db2.gz XXFFNVXTZPHKQE-UHFFFAOYSA-N 2 1 323.481 1.339 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072813473 857743386 /nfs/dbraw/zinc/74/33/86/857743386.db2.gz SSHSFGPMFHPBEQ-CQSZACIVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072813473 857743390 /nfs/dbraw/zinc/74/33/90/857743390.db2.gz SSHSFGPMFHPBEQ-CQSZACIVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC001072870499 857823845 /nfs/dbraw/zinc/82/38/45/857823845.db2.gz LFPQXCVUYLAVDU-HNNXBMFYSA-N 2 1 314.433 1.556 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001202940015 860418252 /nfs/dbraw/zinc/41/82/52/860418252.db2.gz LNZWOVJBMXEQIW-UHFFFAOYSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCO[C@@H]1CC[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001330655099 864512411 /nfs/dbraw/zinc/51/24/11/864512411.db2.gz NKYSKCPOAICSIN-MOPGFXCFSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@@H]1CC[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001330655099 864512417 /nfs/dbraw/zinc/51/24/17/864512417.db2.gz NKYSKCPOAICSIN-MOPGFXCFSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@@H]1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001330655099 864512424 /nfs/dbraw/zinc/51/24/24/864512424.db2.gz NKYSKCPOAICSIN-MOPGFXCFSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@@H]1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001330655099 864512429 /nfs/dbraw/zinc/51/24/29/864512429.db2.gz NKYSKCPOAICSIN-MOPGFXCFSA-N 2 1 316.445 1.900 20 30 DDEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001330852223 864655620 /nfs/dbraw/zinc/65/56/20/864655620.db2.gz QXLYYGNSJASUBC-ZDUSSCGKSA-N 2 1 306.410 1.248 20 30 DDEDMP C=CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001319869801 866360285 /nfs/dbraw/zinc/36/02/85/866360285.db2.gz QFHXVKMGQMAMBI-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001319888875 866367698 /nfs/dbraw/zinc/36/76/98/866367698.db2.gz QYVUHPWYULGPNM-UHFFFAOYSA-N 2 1 316.449 1.844 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001320241022 866584928 /nfs/dbraw/zinc/58/49/28/866584928.db2.gz DLAPDVFQZGUZEQ-OAHLLOKOSA-N 2 1 311.470 1.282 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879824 867065213 /nfs/dbraw/zinc/06/52/13/867065213.db2.gz VGYDWLDAAGSHES-MRXNPFEDSA-N 2 1 321.465 1.279 20 30 DDEDMP C#CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCF)CC1 ZINC001324441486 867278816 /nfs/dbraw/zinc/27/88/16/867278816.db2.gz OPFZFNQIPQYHON-IYBDPMFKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CCF)CC1 ZINC001324441486 867278833 /nfs/dbraw/zinc/27/88/33/867278833.db2.gz OPFZFNQIPQYHON-IYBDPMFKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001324656121 867431543 /nfs/dbraw/zinc/43/15/43/867431543.db2.gz KLEZZELSGBWIRB-AEFFLSMTSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001324727807 867482161 /nfs/dbraw/zinc/48/21/61/867482161.db2.gz METXMTJNOLURGY-LZLYRXPVSA-N 2 1 305.466 1.568 20 30 DDEDMP N#Cc1ccccc1C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001321405591 867566093 /nfs/dbraw/zinc/56/60/93/867566093.db2.gz SWLCQZAPRHIJAI-ONEGZZNKSA-N 2 1 312.417 1.416 20 30 DDEDMP C[N@H+]1CCC[C@H]1CNC(NC[C@@H]1CCCCO1)=[NH+]C(C)(C)C ZINC001335284016 868200377 /nfs/dbraw/zinc/20/03/77/868200377.db2.gz MVMORNZVVDCUMP-GJZGRUSLSA-N 2 1 310.486 1.983 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596943 869316185 /nfs/dbraw/zinc/31/61/85/869316185.db2.gz UEDWETPXRAJLJR-HZPDHXFCSA-N 2 1 321.465 1.302 20 30 DDEDMP N#CCCN1CCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001165056973 869354780 /nfs/dbraw/zinc/35/47/80/869354780.db2.gz RZZJKKOGHPPURN-UHFFFAOYSA-N 2 1 314.437 1.045 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)C1CC1 ZINC001317027779 870134890 /nfs/dbraw/zinc/13/48/90/870134890.db2.gz INHWWUWNTZBIPR-INIZCTEOSA-N 2 1 318.421 1.554 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001317193371 870446972 /nfs/dbraw/zinc/44/69/72/870446972.db2.gz PVFYQYVVEDZICV-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420680 870554153 /nfs/dbraw/zinc/55/41/53/870554153.db2.gz VYQJSJZUXIONRC-JKSUJKDBSA-N 2 1 317.477 1.759 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001317382896 870745317 /nfs/dbraw/zinc/74/53/17/870745317.db2.gz WZDXJLQLAGLICF-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317424908 870808871 /nfs/dbraw/zinc/80/88/71/870808871.db2.gz XLFKDAKUVSQWLB-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317424911 870810208 /nfs/dbraw/zinc/81/02/08/870810208.db2.gz XLFKDAKUVSQWLB-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@H+](CC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317488869 870909196 /nfs/dbraw/zinc/90/91/96/870909196.db2.gz YVOFJGCFAHZCGI-UHFFFAOYSA-N 2 1 313.405 1.895 20 30 DDEDMP C=C(C)C[N@@H+](CC)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317488869 870909210 /nfs/dbraw/zinc/90/92/10/870909210.db2.gz YVOFJGCFAHZCGI-UHFFFAOYSA-N 2 1 313.405 1.895 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317178125 870949259 /nfs/dbraw/zinc/94/92/59/870949259.db2.gz ABCSFEFMRAHQBG-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317178125 870949272 /nfs/dbraw/zinc/94/92/72/870949272.db2.gz ABCSFEFMRAHQBG-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317508279 870949481 /nfs/dbraw/zinc/94/94/81/870949481.db2.gz HTAHUVFXNGJJFD-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317508279 870949498 /nfs/dbraw/zinc/94/94/98/870949498.db2.gz HTAHUVFXNGJJFD-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317508279 870949508 /nfs/dbraw/zinc/94/95/08/870949508.db2.gz HTAHUVFXNGJJFD-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420521 871545481 /nfs/dbraw/zinc/54/54/81/871545481.db2.gz YQVVTRJJVQQCLR-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)C)CC1 ZINC001205479496 871575132 /nfs/dbraw/zinc/57/51/32/871575132.db2.gz OQPMGIKFEVBGCY-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(C)C)CC1 ZINC001205479496 871575134 /nfs/dbraw/zinc/57/51/34/871575134.db2.gz OQPMGIKFEVBGCY-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518845 871603554 /nfs/dbraw/zinc/60/35/54/871603554.db2.gz MSCAURFGXKAWIB-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518845 871603564 /nfs/dbraw/zinc/60/35/64/871603564.db2.gz MSCAURFGXKAWIB-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205519146 871603909 /nfs/dbraw/zinc/60/39/09/871603909.db2.gz WZLVDXFQKBUDGW-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC001341673079 871768249 /nfs/dbraw/zinc/76/82/49/871768249.db2.gz VYIRLVNMIFEHJE-OAHLLOKOSA-N 2 1 313.405 1.876 20 30 DDEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001316746525 871986047 /nfs/dbraw/zinc/98/60/47/871986047.db2.gz RACFMYUELJXJAK-IAGOWNOFSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001316746525 871986062 /nfs/dbraw/zinc/98/60/62/871986062.db2.gz RACFMYUELJXJAK-IAGOWNOFSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001316746525 871986082 /nfs/dbraw/zinc/98/60/82/871986082.db2.gz RACFMYUELJXJAK-IAGOWNOFSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001316747517 871990574 /nfs/dbraw/zinc/99/05/74/871990574.db2.gz WLCRGJWGYQPQDA-SJORKVTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001316747517 871990577 /nfs/dbraw/zinc/99/05/77/871990577.db2.gz WLCRGJWGYQPQDA-SJORKVTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001316747517 871990580 /nfs/dbraw/zinc/99/05/80/871990580.db2.gz WLCRGJWGYQPQDA-SJORKVTESA-N 2 1 323.481 1.190 20 30 DDEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165266 872104104 /nfs/dbraw/zinc/10/41/04/872104104.db2.gz NBSDXGRPGOJZIU-LSDHHAIUSA-N 2 1 306.381 1.968 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cc1OC ZINC001206165266 872104111 /nfs/dbraw/zinc/10/41/11/872104111.db2.gz NBSDXGRPGOJZIU-LSDHHAIUSA-N 2 1 306.381 1.968 20 30 DDEDMP C#CCC[N@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC001316825546 872122213 /nfs/dbraw/zinc/12/22/13/872122213.db2.gz KVAKVLXBMZIVQI-UHFFFAOYSA-N 2 1 307.463 1.885 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001318946462 872358956 /nfs/dbraw/zinc/35/89/56/872358956.db2.gz BYMYOQBEVSYJFD-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001318946462 872358944 /nfs/dbraw/zinc/35/89/44/872358944.db2.gz BYMYOQBEVSYJFD-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001316932789 872408379 /nfs/dbraw/zinc/40/83/79/872408379.db2.gz CTXMNGXXNWVFCG-UHFFFAOYSA-N 2 1 316.449 1.918 20 30 DDEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001319542171 872681830 /nfs/dbraw/zinc/68/18/30/872681830.db2.gz ZEVMWAAOVZVDOW-HNNXBMFYSA-N 2 1 320.437 1.093 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001208355438 874052745 /nfs/dbraw/zinc/05/27/45/874052745.db2.gz BJJMENLPPIAXCV-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(C)C)C1 ZINC001208355438 874052756 /nfs/dbraw/zinc/05/27/56/874052756.db2.gz BJJMENLPPIAXCV-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892437 875159037 /nfs/dbraw/zinc/15/90/37/875159037.db2.gz SNWVQAQORVRCLN-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209951396 875176022 /nfs/dbraw/zinc/17/60/22/875176022.db2.gz KSRAHVVJACDGBM-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243571 875285713 /nfs/dbraw/zinc/28/57/13/875285713.db2.gz NKXAVHJUTCSVKK-NXHRZFHOSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243571 875285722 /nfs/dbraw/zinc/28/57/22/875285722.db2.gz NKXAVHJUTCSVKK-NXHRZFHOSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243571 875285730 /nfs/dbraw/zinc/28/57/30/875285730.db2.gz NKXAVHJUTCSVKK-NXHRZFHOSA-N 2 1 313.445 1.749 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210477642 875402392 /nfs/dbraw/zinc/40/23/92/875402392.db2.gz YTQYTKMLQGHBKU-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210477642 875402393 /nfs/dbraw/zinc/40/23/93/875402393.db2.gz YTQYTKMLQGHBKU-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210477642 875402396 /nfs/dbraw/zinc/40/23/96/875402396.db2.gz YTQYTKMLQGHBKU-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210477642 875402398 /nfs/dbraw/zinc/40/23/98/875402398.db2.gz YTQYTKMLQGHBKU-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211176525 875696322 /nfs/dbraw/zinc/69/63/22/875696322.db2.gz LPBKGTHPGSAXCJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176525 875696334 /nfs/dbraw/zinc/69/63/34/875696334.db2.gz LPBKGTHPGSAXCJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)CCN(C)Cc1ccccc1C#N ZINC001379116533 876442873 /nfs/dbraw/zinc/44/28/73/876442873.db2.gz KUBJFZQENZYMQZ-UHFFFAOYSA-N 2 1 316.449 1.790 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001219880065 878564299 /nfs/dbraw/zinc/56/42/99/878564299.db2.gz XETIZNFREFGDTR-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001219880065 878564310 /nfs/dbraw/zinc/56/43/10/878564310.db2.gz XETIZNFREFGDTR-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219880065 878564312 /nfs/dbraw/zinc/56/43/12/878564312.db2.gz XETIZNFREFGDTR-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001219880065 878564323 /nfs/dbraw/zinc/56/43/23/878564323.db2.gz XETIZNFREFGDTR-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001220868455 879331020 /nfs/dbraw/zinc/33/10/20/879331020.db2.gz KLDJQRYCLDTNDV-BQFCYCMXSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235339789 888570014 /nfs/dbraw/zinc/57/00/14/888570014.db2.gz YRIZQXFUKHAEBD-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339789 888570028 /nfs/dbraw/zinc/57/00/28/888570028.db2.gz YRIZQXFUKHAEBD-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339789 888570038 /nfs/dbraw/zinc/57/00/38/888570038.db2.gz YRIZQXFUKHAEBD-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C[N@H+]1CCC[C@H](CN2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146724 889847365 /nfs/dbraw/zinc/84/73/65/889847365.db2.gz GVMLYSOJJLOVRP-GJZGRUSLSA-N 2 1 316.449 1.213 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146724 889847382 /nfs/dbraw/zinc/84/73/82/889847382.db2.gz GVMLYSOJJLOVRP-GJZGRUSLSA-N 2 1 316.449 1.213 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146724 889847389 /nfs/dbraw/zinc/84/73/89/889847389.db2.gz GVMLYSOJJLOVRP-GJZGRUSLSA-N 2 1 316.449 1.213 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC2)CC1 ZINC001278169216 889939823 /nfs/dbraw/zinc/93/98/23/889939823.db2.gz KZCKVJJKPRXHMQ-QGZVFWFLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CCCC)CC1 ZINC001278200590 890125104 /nfs/dbraw/zinc/12/51/04/890125104.db2.gz NRZQNYOWJMKWSV-UHFFFAOYSA-N 2 1 316.449 1.918 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001278350557 891467864 /nfs/dbraw/zinc/46/78/64/891467864.db2.gz YFUNYSZZRLRLKP-QGZVFWFLSA-N 2 1 322.497 1.123 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001278350557 891467868 /nfs/dbraw/zinc/46/78/68/891467868.db2.gz YFUNYSZZRLRLKP-QGZVFWFLSA-N 2 1 322.497 1.123 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001278350557 891467873 /nfs/dbraw/zinc/46/78/73/891467873.db2.gz YFUNYSZZRLRLKP-QGZVFWFLSA-N 2 1 322.497 1.123 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001245998878 892314853 /nfs/dbraw/zinc/31/48/53/892314853.db2.gz GQSNTGVFVVUQLV-JKSUJKDBSA-N 2 1 324.396 1.676 20 30 DDEDMP C=C[C@@H](O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246010593 892327895 /nfs/dbraw/zinc/32/78/95/892327895.db2.gz BNDYPFUBKRVXRS-HZPDHXFCSA-N 2 1 306.406 1.364 20 30 DDEDMP COC(=O)[C@@H]1C[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C[NH2+]1 ZINC001246322526 892539190 /nfs/dbraw/zinc/53/91/90/892539190.db2.gz AECNOYSFRFPLPH-HIFRSBDPSA-N 2 1 312.373 1.090 20 30 DDEDMP N#C[C@@H]1C[C@@H]([N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)CCN1 ZINC001246670404 892779122 /nfs/dbraw/zinc/77/91/22/892779122.db2.gz CIGSBRMUAXCBIG-INDMIFKZSA-N 2 1 310.445 1.710 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001252553315 895276403 /nfs/dbraw/zinc/27/64/03/895276403.db2.gz WEWHWICNCAXTEJ-KZNAEPCWSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001252553315 895276415 /nfs/dbraw/zinc/27/64/15/895276415.db2.gz WEWHWICNCAXTEJ-KZNAEPCWSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001252553315 895276428 /nfs/dbraw/zinc/27/64/28/895276428.db2.gz WEWHWICNCAXTEJ-KZNAEPCWSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@H](O)C[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001253603684 895923329 /nfs/dbraw/zinc/92/33/29/895923329.db2.gz AGAGXNGTJQHNIX-CQSZACIVSA-N 2 1 315.458 1.360 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278787098 896465656 /nfs/dbraw/zinc/46/56/56/896465656.db2.gz NOFABOWSVSKJCH-QAPCUYQASA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278787098 896465662 /nfs/dbraw/zinc/46/56/62/896465662.db2.gz NOFABOWSVSKJCH-QAPCUYQASA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278787098 896465667 /nfs/dbraw/zinc/46/56/67/896465667.db2.gz NOFABOWSVSKJCH-QAPCUYQASA-N 2 1 323.481 1.378 20 30 DDEDMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257010706 897670684 /nfs/dbraw/zinc/67/06/84/897670684.db2.gz GFCKRFYQHGPPLP-AQFXKWCLSA-N 2 1 315.417 1.922 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001374903193 914295616 /nfs/dbraw/zinc/29/56/16/914295616.db2.gz CBEALOVWXNBHEB-UONOGXRCSA-N 2 1 301.862 1.954 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001263728595 900687200 /nfs/dbraw/zinc/68/72/00/900687200.db2.gz WTVHORLPCXRZET-ZMSDIMECSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001369270324 900928104 /nfs/dbraw/zinc/92/81/04/900928104.db2.gz GGSAXXZZHOGFLS-TZMCWYRMSA-N 2 1 324.856 1.943 20 30 DDEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001264468977 901139402 /nfs/dbraw/zinc/13/94/02/901139402.db2.gz PERUJESEUWDWGR-UONOGXRCSA-N 2 1 318.421 1.248 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265615973 902206760 /nfs/dbraw/zinc/20/67/60/902206760.db2.gz SDTAZJRAOXAOKV-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001370048152 902452147 /nfs/dbraw/zinc/45/21/47/902452147.db2.gz RCTVSPIBQJUGEE-SWLSCSKDSA-N 2 1 320.462 1.650 20 30 DDEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001370048152 902452155 /nfs/dbraw/zinc/45/21/55/902452155.db2.gz RCTVSPIBQJUGEE-SWLSCSKDSA-N 2 1 320.462 1.650 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001279237323 903201028 /nfs/dbraw/zinc/20/10/28/903201028.db2.gz URHFUISBCZOYSX-BJWYYQGGSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)CCC)O2 ZINC001280930838 904201089 /nfs/dbraw/zinc/20/10/89/904201089.db2.gz FEDPQHUIXSHGJC-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001280930651 904202645 /nfs/dbraw/zinc/20/26/45/904202645.db2.gz AVMUTBGBXZDTMP-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001371141826 904336213 /nfs/dbraw/zinc/33/62/13/904336213.db2.gz QBJNRFLDDQGWHI-WDEREUQCSA-N 2 1 304.232 1.084 20 30 DDEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001282557870 905868502 /nfs/dbraw/zinc/86/85/02/905868502.db2.gz JUYNZGSSUANRAC-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001282964533 906349399 /nfs/dbraw/zinc/34/93/99/906349399.db2.gz IFPWTMBPTZXHOW-INIZCTEOSA-N 2 1 323.456 1.614 20 30 DDEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001283681317 907784259 /nfs/dbraw/zinc/78/42/59/907784259.db2.gz SUUUDWCNNPEHPG-NXHRZFHOSA-N 2 1 315.461 1.954 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1cccc(C#N)c1 ZINC001394136790 908937688 /nfs/dbraw/zinc/93/76/88/908937688.db2.gz OHXVSIGUPWXYMH-PBHICJAKSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001394136790 908937702 /nfs/dbraw/zinc/93/77/02/908937702.db2.gz OHXVSIGUPWXYMH-PBHICJAKSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001394136790 908937722 /nfs/dbraw/zinc/93/77/22/908937722.db2.gz OHXVSIGUPWXYMH-PBHICJAKSA-N 2 1 314.433 1.446 20 30 DDEDMP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)C(C)C ZINC001284545547 909166356 /nfs/dbraw/zinc/16/63/56/909166356.db2.gz VXLHHXKHBILQTK-HZPDHXFCSA-N 2 1 316.449 1.716 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001376158618 917838617 /nfs/dbraw/zinc/83/86/17/917838617.db2.gz YVBUBLOGNQERCQ-HNNXBMFYSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001376158618 917838626 /nfs/dbraw/zinc/83/86/26/917838626.db2.gz YVBUBLOGNQERCQ-HNNXBMFYSA-N 2 1 318.396 1.340 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000092797701 353870753 /nfs/dbraw/zinc/87/07/53/353870753.db2.gz BAWDHUQLWXMAKQ-BZUAXINKSA-N 2 1 304.438 1.165 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000092797701 353870755 /nfs/dbraw/zinc/87/07/55/353870755.db2.gz BAWDHUQLWXMAKQ-BZUAXINKSA-N 2 1 304.438 1.165 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000092797701 353870758 /nfs/dbraw/zinc/87/07/58/353870758.db2.gz BAWDHUQLWXMAKQ-BZUAXINKSA-N 2 1 304.438 1.165 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731527 354282497 /nfs/dbraw/zinc/28/24/97/354282497.db2.gz RKAWGKAZPSFRHR-KGLIPLIRSA-N 2 1 322.453 1.241 20 30 DDEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)CCC#N ZINC000185735081 354282274 /nfs/dbraw/zinc/28/22/74/354282274.db2.gz ACNIMEUWRCXKFE-JYJNAYRXSA-N 2 1 320.481 1.990 20 30 DDEDMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)CCC#N ZINC000185735081 354282275 /nfs/dbraw/zinc/28/22/75/354282275.db2.gz ACNIMEUWRCXKFE-JYJNAYRXSA-N 2 1 320.481 1.990 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185731527 354282492 /nfs/dbraw/zinc/28/24/92/354282492.db2.gz RKAWGKAZPSFRHR-KGLIPLIRSA-N 2 1 322.453 1.241 20 30 DDEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436997 356213460 /nfs/dbraw/zinc/21/34/60/356213460.db2.gz HIKASUDWHGWQOQ-XUWVNRHRSA-N 2 1 308.470 1.880 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC000600718152 358294578 /nfs/dbraw/zinc/29/45/78/358294578.db2.gz VUZYKXMYBUMDRC-XHSDSOJGSA-N 2 1 307.438 1.274 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCOCC1 ZINC000600718152 358294579 /nfs/dbraw/zinc/29/45/79/358294579.db2.gz VUZYKXMYBUMDRC-XHSDSOJGSA-N 2 1 307.438 1.274 20 30 DDEDMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cccc(C#N)n2)ccn1 ZINC000602603211 359066573 /nfs/dbraw/zinc/06/65/73/359066573.db2.gz NDMLMPWBOYZWMW-UHFFFAOYSA-N 2 1 311.389 1.578 20 30 DDEDMP CO[C@H]1C[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342138048 223302232 /nfs/dbraw/zinc/30/22/32/223302232.db2.gz SGNFGUMJKCUAQH-XLAORIBOSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@H]1C[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342138048 223302235 /nfs/dbraw/zinc/30/22/35/223302235.db2.gz SGNFGUMJKCUAQH-XLAORIBOSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@H]1C[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342138048 223302238 /nfs/dbraw/zinc/30/22/38/223302238.db2.gz SGNFGUMJKCUAQH-XLAORIBOSA-N 2 1 308.466 1.703 20 30 DDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC000110056737 194307064 /nfs/dbraw/zinc/30/70/64/194307064.db2.gz KVIVWRHFEHARCW-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+](C)C ZINC000424134601 532972311 /nfs/dbraw/zinc/97/23/11/532972311.db2.gz KWDLWCMTBZVBCJ-LSDHHAIUSA-N 2 1 318.421 1.435 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N(C)C ZINC000264146032 285284388 /nfs/dbraw/zinc/28/43/88/285284388.db2.gz XWFJWARCJJKDIM-IRXDYDNUSA-N 2 1 317.481 1.678 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCOCC2)cc1OC ZINC000187856073 407899569 /nfs/dbraw/zinc/89/95/69/407899569.db2.gz ORYJXWBGXNTNPD-UHFFFAOYSA-N 2 1 322.409 1.153 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CCCOCC2)cc1OC ZINC000187856073 407899571 /nfs/dbraw/zinc/89/95/71/407899571.db2.gz ORYJXWBGXNTNPD-UHFFFAOYSA-N 2 1 322.409 1.153 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(Cl)nc1 ZINC000268464885 408055428 /nfs/dbraw/zinc/05/54/28/408055428.db2.gz WEATXUQAAQHDMK-ZDUSSCGKSA-N 2 1 309.845 1.666 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000182957995 408291852 /nfs/dbraw/zinc/29/18/52/408291852.db2.gz ZSUVIEFYRWTLSL-SFHVURJKSA-N 2 1 316.449 1.161 20 30 DDEDMP O=C(NCCc1cn2ccccc2n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329281899 410210837 /nfs/dbraw/zinc/21/08/37/410210837.db2.gz FEWHCBGBKXJRHJ-AWEZNQCLSA-N 2 1 313.405 1.617 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)nc(C2CC2)n1 ZINC000601193561 416621719 /nfs/dbraw/zinc/62/17/19/416621719.db2.gz KODWQKHCLOHGHB-UHFFFAOYSA-N 2 1 302.426 1.521 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)nc(C2CC2)n1 ZINC000601193561 416621723 /nfs/dbraw/zinc/62/17/23/416621723.db2.gz KODWQKHCLOHGHB-UHFFFAOYSA-N 2 1 302.426 1.521 20 30 DDEDMP CC[NH+]=C(NCC1(C)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261694879 222255057 /nfs/dbraw/zinc/25/50/57/222255057.db2.gz ISRFZOZQINCVLH-OAHLLOKOSA-N 2 1 308.470 1.406 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CC[C@]2(CCOC2)C1 ZINC000262025127 222271121 /nfs/dbraw/zinc/27/11/21/222271121.db2.gz ZNMBTSOTHGAVJA-BQFCYCMXSA-N 2 1 322.497 1.937 20 30 DDEDMP COc1ccccc1[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000264059782 222310929 /nfs/dbraw/zinc/31/09/29/222310929.db2.gz CHKPJNRYAIBVLO-HNNXBMFYSA-N 2 1 302.422 1.899 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)Cc1ccccc1 ZINC000264114737 222319398 /nfs/dbraw/zinc/31/93/98/222319398.db2.gz SBESXJLPMDEDAQ-KRWDZBQOSA-N 2 1 317.481 1.507 20 30 DDEDMP CC(C)CCNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264119512 222321381 /nfs/dbraw/zinc/32/13/81/222321381.db2.gz ULKWTLVRXPFPAY-QGZVFWFLSA-N 2 1 318.465 1.356 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370077091 418740640 /nfs/dbraw/zinc/74/06/40/418740640.db2.gz JFJLKORAUZHEMY-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370077091 418740643 /nfs/dbraw/zinc/74/06/43/418740643.db2.gz JFJLKORAUZHEMY-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000364900663 418821648 /nfs/dbraw/zinc/82/16/48/418821648.db2.gz NSXCVCWIAGCFCA-INIZCTEOSA-N 2 1 304.438 1.864 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000424167413 420313015 /nfs/dbraw/zinc/31/30/15/420313015.db2.gz DQPDRALJIOWEJH-VNQPRFMTSA-N 2 1 304.438 1.483 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000491783534 421203748 /nfs/dbraw/zinc/20/37/48/421203748.db2.gz PLPBBNANGCYZFY-QGZVFWFLSA-N 2 1 320.481 1.601 20 30 DDEDMP C=CC[C@@]1(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662671319 424730448 /nfs/dbraw/zinc/73/04/48/424730448.db2.gz NEFLGMJEWNNYEH-DAYGRLMNSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662671319 424730449 /nfs/dbraw/zinc/73/04/49/424730449.db2.gz NEFLGMJEWNNYEH-DAYGRLMNSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CC[C@]1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000662749579 424755860 /nfs/dbraw/zinc/75/58/60/424755860.db2.gz JUAFEZZZQVSEMB-SJLPKXTDSA-N 2 1 305.466 1.875 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000161651193 274392060 /nfs/dbraw/zinc/39/20/60/274392060.db2.gz FSWRCWBVAHZKIO-PBHICJAKSA-N 2 1 313.449 1.994 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000161651193 274392062 /nfs/dbraw/zinc/39/20/62/274392062.db2.gz FSWRCWBVAHZKIO-PBHICJAKSA-N 2 1 313.449 1.994 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412092607 289033336 /nfs/dbraw/zinc/03/33/36/289033336.db2.gz RINKVUROXUQFAT-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[N@H+]1CC#CC[NH+]1CCC[C@H](CO)[C@@H]1C ZINC000412092607 289033340 /nfs/dbraw/zinc/03/33/40/289033340.db2.gz RINKVUROXUQFAT-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[N@@H+]1CC#CC[NH+]1CCC[C@H](CO)[C@@H]1C ZINC000412092607 289033342 /nfs/dbraw/zinc/03/33/42/289033342.db2.gz RINKVUROXUQFAT-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000527299603 332671531 /nfs/dbraw/zinc/67/15/31/332671531.db2.gz AMRKDJVWGFEHBF-HNNXBMFYSA-N 2 1 318.465 1.745 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000174776947 340395858 /nfs/dbraw/zinc/39/58/58/340395858.db2.gz JUUUMGQOIBGZCC-ZBFHGGJFSA-N 2 1 308.470 1.761 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542763549 341019604 /nfs/dbraw/zinc/01/96/04/341019604.db2.gz TZDHTLVEFRUSLV-UHFFFAOYSA-N 2 1 317.437 1.456 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000490594690 526925182 /nfs/dbraw/zinc/92/51/82/526925182.db2.gz UXSZBPLPWWZDCX-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000491682188 527377381 /nfs/dbraw/zinc/37/73/81/527377381.db2.gz QHDQBWDEVKKQRI-INIZCTEOSA-N 2 1 318.396 1.336 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980218638 696710560 /nfs/dbraw/zinc/71/05/60/696710560.db2.gz VLIZPOLLLHSNME-BBWFWOEESA-N 2 1 317.477 1.875 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972552259 695280089 /nfs/dbraw/zinc/28/00/89/695280089.db2.gz MDVVZIHIMLYDNI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972552259 695280090 /nfs/dbraw/zinc/28/00/90/695280090.db2.gz MDVVZIHIMLYDNI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972552259 695280091 /nfs/dbraw/zinc/28/00/91/695280091.db2.gz MDVVZIHIMLYDNI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974759792 695728401 /nfs/dbraw/zinc/72/84/01/695728401.db2.gz OYMIYVXTIPMDOT-HOTGVXAUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974759792 695728403 /nfs/dbraw/zinc/72/84/03/695728403.db2.gz OYMIYVXTIPMDOT-HOTGVXAUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974759792 695728405 /nfs/dbraw/zinc/72/84/05/695728405.db2.gz OYMIYVXTIPMDOT-HOTGVXAUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974759792 695728406 /nfs/dbraw/zinc/72/84/06/695728406.db2.gz OYMIYVXTIPMDOT-HOTGVXAUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112226 695797417 /nfs/dbraw/zinc/79/74/17/695797417.db2.gz RFPGDYCVHYDCLI-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112226 695797418 /nfs/dbraw/zinc/79/74/18/695797418.db2.gz RFPGDYCVHYDCLI-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978418143 696379394 /nfs/dbraw/zinc/37/93/94/696379394.db2.gz SODHTIRYUVFMJG-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978418143 696379396 /nfs/dbraw/zinc/37/93/96/696379396.db2.gz SODHTIRYUVFMJG-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC000978418143 696379398 /nfs/dbraw/zinc/37/93/98/696379398.db2.gz SODHTIRYUVFMJG-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NCCc1ccccc1)CN1CC[NH+](C)CC1 ZINC000104174548 696619412 /nfs/dbraw/zinc/61/94/12/696619412.db2.gz JLRGTDGUQMWVEC-INIZCTEOSA-N 2 1 317.481 1.017 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCCC)C2 ZINC000981818995 696929893 /nfs/dbraw/zinc/92/98/93/696929893.db2.gz IRWPFPFWMYGIFM-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCCC)C2 ZINC000981818995 696929897 /nfs/dbraw/zinc/92/98/97/696929897.db2.gz IRWPFPFWMYGIFM-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCC)C2 ZINC000981818995 696929898 /nfs/dbraw/zinc/92/98/98/696929898.db2.gz IRWPFPFWMYGIFM-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCCC)C2 ZINC000981818995 696929902 /nfs/dbraw/zinc/92/99/02/696929902.db2.gz IRWPFPFWMYGIFM-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982081531 697024638 /nfs/dbraw/zinc/02/46/38/697024638.db2.gz UGVJTNFECCRTBS-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081531 697024639 /nfs/dbraw/zinc/02/46/39/697024639.db2.gz UGVJTNFECCRTBS-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081531 697024642 /nfs/dbraw/zinc/02/46/42/697024642.db2.gz UGVJTNFECCRTBS-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282882 697082403 /nfs/dbraw/zinc/08/24/03/697082403.db2.gz JEGUBLIHHIZAQO-RWQQGDIJSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282882 697082405 /nfs/dbraw/zinc/08/24/05/697082405.db2.gz JEGUBLIHHIZAQO-RWQQGDIJSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982282882 697082408 /nfs/dbraw/zinc/08/24/08/697082408.db2.gz JEGUBLIHHIZAQO-RWQQGDIJSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982519608 697143976 /nfs/dbraw/zinc/14/39/76/697143976.db2.gz GGPNLNZLJJTSDD-QRQLOZEOSA-N 2 1 319.493 1.766 20 30 DDEDMP CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779805022 698469241 /nfs/dbraw/zinc/46/92/41/698469241.db2.gz IQMPWRQPFARCBS-XJKSGUPXSA-N 2 1 315.421 1.201 20 30 DDEDMP CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779805022 698469243 /nfs/dbraw/zinc/46/92/43/698469243.db2.gz IQMPWRQPFARCBS-XJKSGUPXSA-N 2 1 315.421 1.201 20 30 DDEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262782180 698480175 /nfs/dbraw/zinc/48/01/75/698480175.db2.gz LMXOBKRBFOZJLW-HFTRVMKXSA-N 2 1 322.497 1.719 20 30 DDEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262782180 698480178 /nfs/dbraw/zinc/48/01/78/698480178.db2.gz LMXOBKRBFOZJLW-HFTRVMKXSA-N 2 1 322.497 1.719 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303883620 698609080 /nfs/dbraw/zinc/60/90/80/698609080.db2.gz IRMJXFVAMRZJHU-BRWVUGGUSA-N 3 1 323.529 1.743 20 30 DDEDMP CCCCCCNC(=[NH2+])NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000303881870 698609158 /nfs/dbraw/zinc/60/91/58/698609158.db2.gz LDTLXZACBCCDFS-MRXNPFEDSA-N 2 1 311.518 1.745 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NCCc1cccs1)C[NH+]1CCOCC1 ZINC000304738019 698623542 /nfs/dbraw/zinc/62/35/42/698623542.db2.gz AQBUKYAUCJBCTC-ZDUSSCGKSA-N 2 1 310.467 1.163 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)CCC[C@@H]12 ZINC000991047472 699216035 /nfs/dbraw/zinc/21/60/35/699216035.db2.gz YUWYOFZFBXZWOQ-YQVWRLOYSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991047472 699216039 /nfs/dbraw/zinc/21/60/39/699216039.db2.gz YUWYOFZFBXZWOQ-YQVWRLOYSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](CC(C)C)C3)CCC[C@@H]12 ZINC000991047472 699216041 /nfs/dbraw/zinc/21/60/41/699216041.db2.gz YUWYOFZFBXZWOQ-YQVWRLOYSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000730277833 699505935 /nfs/dbraw/zinc/50/59/35/699505935.db2.gz DDADJUPQACOBAL-BDXSIMOUSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000730277833 699505937 /nfs/dbraw/zinc/50/59/37/699505937.db2.gz DDADJUPQACOBAL-BDXSIMOUSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730277800 699505980 /nfs/dbraw/zinc/50/59/80/699505980.db2.gz DWSQBSZOCIDFQG-KSZLIROESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730277800 699505982 /nfs/dbraw/zinc/50/59/82/699505982.db2.gz DWSQBSZOCIDFQG-KSZLIROESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730277800 699505984 /nfs/dbraw/zinc/50/59/84/699505984.db2.gz DWSQBSZOCIDFQG-KSZLIROESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730277800 699505986 /nfs/dbraw/zinc/50/59/86/699505986.db2.gz DWSQBSZOCIDFQG-KSZLIROESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000764015179 700958107 /nfs/dbraw/zinc/95/81/07/700958107.db2.gz ZKRJZNXFSSGNJL-UHFFFAOYSA-N 2 1 301.434 1.839 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000807261544 701471698 /nfs/dbraw/zinc/47/16/98/701471698.db2.gz DDDCOKDMIRJRJF-RYQLBKOJSA-N 2 1 313.445 1.892 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000807261544 701471699 /nfs/dbraw/zinc/47/16/99/701471699.db2.gz DDDCOKDMIRJRJF-RYQLBKOJSA-N 2 1 313.445 1.892 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(C#N)cs2)C1 ZINC000842039609 702662250 /nfs/dbraw/zinc/66/22/50/702662250.db2.gz PTHHGEPWSCYUCM-NSHDSACASA-N 2 1 309.395 1.122 20 30 DDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(C#N)cs2)C1 ZINC000842039609 702662252 /nfs/dbraw/zinc/66/22/52/702662252.db2.gz PTHHGEPWSCYUCM-NSHDSACASA-N 2 1 309.395 1.122 20 30 DDEDMP C#CC[C@@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000842628263 702745607 /nfs/dbraw/zinc/74/56/07/702745607.db2.gz ABZSODMTGAFBAC-QAPCUYQASA-N 2 1 317.433 1.596 20 30 DDEDMP C#CC[C@@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000842628263 702745610 /nfs/dbraw/zinc/74/56/10/702745610.db2.gz ABZSODMTGAFBAC-QAPCUYQASA-N 2 1 317.433 1.596 20 30 DDEDMP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000843106225 702819861 /nfs/dbraw/zinc/81/98/61/702819861.db2.gz YUMOXQYRTGECPH-SJORKVTESA-N 2 1 305.422 1.274 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000879575622 706724136 /nfs/dbraw/zinc/72/41/36/706724136.db2.gz NLJGLJNBQBDTCO-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000879575622 706724139 /nfs/dbraw/zinc/72/41/39/706724139.db2.gz NLJGLJNBQBDTCO-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000879575622 706724140 /nfs/dbraw/zinc/72/41/40/706724140.db2.gz NLJGLJNBQBDTCO-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000879575622 706724143 /nfs/dbraw/zinc/72/41/43/706724143.db2.gz NLJGLJNBQBDTCO-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000847380132 703410830 /nfs/dbraw/zinc/41/08/30/703410830.db2.gz YDPUMENWSFIOGO-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847380132 703410832 /nfs/dbraw/zinc/41/08/32/703410832.db2.gz YDPUMENWSFIOGO-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847380132 703410834 /nfs/dbraw/zinc/41/08/34/703410834.db2.gz YDPUMENWSFIOGO-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000820087529 704218926 /nfs/dbraw/zinc/21/89/26/704218926.db2.gz XAVZRGPQAREOEC-LSDHHAIUSA-N 2 1 310.486 1.606 20 30 DDEDMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000820087529 704218928 /nfs/dbraw/zinc/21/89/28/704218928.db2.gz XAVZRGPQAREOEC-LSDHHAIUSA-N 2 1 310.486 1.606 20 30 DDEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000857235016 704567912 /nfs/dbraw/zinc/56/79/12/704567912.db2.gz WTMIULMIHKIPCF-HZPDHXFCSA-N 2 1 309.454 1.520 20 30 DDEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995165 705065628 /nfs/dbraw/zinc/06/56/28/705065628.db2.gz MYDFHBPZTLQWFN-HNNXBMFYSA-N 2 1 301.434 1.708 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000876733657 705846662 /nfs/dbraw/zinc/84/66/62/705846662.db2.gz DTWGWKQXEINVPT-ZDUSSCGKSA-N 2 1 319.796 1.662 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000880614180 707042201 /nfs/dbraw/zinc/04/22/01/707042201.db2.gz RMYQQQAFGSYTCN-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2C1 ZINC000884212731 708192891 /nfs/dbraw/zinc/19/28/91/708192891.db2.gz LQQYZWSVIROXIG-WUJZJPHMSA-N 2 1 324.428 1.604 20 30 DDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)c2ccccc2C1 ZINC000884212731 708192892 /nfs/dbraw/zinc/19/28/92/708192892.db2.gz LQQYZWSVIROXIG-WUJZJPHMSA-N 2 1 324.428 1.604 20 30 DDEDMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886229513 708720207 /nfs/dbraw/zinc/72/02/07/708720207.db2.gz QMWPAHSZLNXAMW-INIZCTEOSA-N 2 1 323.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000887634443 709087554 /nfs/dbraw/zinc/08/75/54/709087554.db2.gz RKTJFVJOFFMHHQ-SJORKVTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000887634443 709087557 /nfs/dbraw/zinc/08/75/57/709087557.db2.gz RKTJFVJOFFMHHQ-SJORKVTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000887634443 709087560 /nfs/dbraw/zinc/08/75/60/709087560.db2.gz RKTJFVJOFFMHHQ-SJORKVTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000887634443 709087563 /nfs/dbraw/zinc/08/75/63/709087563.db2.gz RKTJFVJOFFMHHQ-SJORKVTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000890371679 709843723 /nfs/dbraw/zinc/84/37/23/709843723.db2.gz ANNCMAQHPNMKRJ-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000890371679 709843727 /nfs/dbraw/zinc/84/37/27/709843727.db2.gz ANNCMAQHPNMKRJ-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000890371679 709843730 /nfs/dbraw/zinc/84/37/30/709843730.db2.gz ANNCMAQHPNMKRJ-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000890371679 709843735 /nfs/dbraw/zinc/84/37/35/709843735.db2.gz ANNCMAQHPNMKRJ-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000900956374 709847079 /nfs/dbraw/zinc/84/70/79/709847079.db2.gz VDPLGDOBAKBGHF-UHFFFAOYSA-N 2 1 307.413 1.882 20 30 DDEDMP C#CCN(C(=O)NCC[N@H+](CC)C(C)C)C1CC[NH+](C)CC1 ZINC000916161623 713445699 /nfs/dbraw/zinc/44/56/99/713445699.db2.gz VQERDVFNGAWLBA-UHFFFAOYSA-N 2 1 308.470 1.456 20 30 DDEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1csc(C#N)c1 ZINC000921655437 713832687 /nfs/dbraw/zinc/83/26/87/713832687.db2.gz ZZNMINHKTIUKDK-OAHLLOKOSA-N 2 1 320.462 1.652 20 30 DDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCc1csc(C#N)c1 ZINC000921655437 713832690 /nfs/dbraw/zinc/83/26/90/713832690.db2.gz ZZNMINHKTIUKDK-OAHLLOKOSA-N 2 1 320.462 1.652 20 30 DDEDMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000923413730 714348098 /nfs/dbraw/zinc/34/80/98/714348098.db2.gz HKEUYKWQGFMPNB-OAHLLOKOSA-N 2 1 303.406 1.372 20 30 DDEDMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000923413730 714348099 /nfs/dbraw/zinc/34/80/99/714348099.db2.gz HKEUYKWQGFMPNB-OAHLLOKOSA-N 2 1 303.406 1.372 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)C2=O)cc1 ZINC000925631324 714903886 /nfs/dbraw/zinc/90/38/86/714903886.db2.gz HJMXMHSXJATICU-YESZJQIVSA-N 2 1 324.428 1.913 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926489286 715075603 /nfs/dbraw/zinc/07/56/03/715075603.db2.gz GAKSMNGNQZTWGB-SJLPKXTDSA-N 2 1 302.466 1.984 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926489286 715075605 /nfs/dbraw/zinc/07/56/05/715075605.db2.gz GAKSMNGNQZTWGB-SJLPKXTDSA-N 2 1 302.466 1.984 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CCCF)C2)CC1 ZINC000957422340 715895813 /nfs/dbraw/zinc/89/58/13/715895813.db2.gz UUDAJWXCUIHSCF-UHFFFAOYSA-N 2 1 309.429 1.224 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957642519 715981117 /nfs/dbraw/zinc/98/11/17/715981117.db2.gz SNGGFOCDEFIWEE-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960269620 716474400 /nfs/dbraw/zinc/47/44/00/716474400.db2.gz RQSQPLSUVFLUPI-KNCOVGOOSA-N 2 1 300.406 1.383 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960269620 716474403 /nfs/dbraw/zinc/47/44/03/716474403.db2.gz RQSQPLSUVFLUPI-KNCOVGOOSA-N 2 1 300.406 1.383 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960272097 716474712 /nfs/dbraw/zinc/47/47/12/716474712.db2.gz YKQAHVBMXQSKRU-MWDXBVQZSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960272097 716474716 /nfs/dbraw/zinc/47/47/16/716474716.db2.gz YKQAHVBMXQSKRU-MWDXBVQZSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960272097 716474721 /nfs/dbraw/zinc/47/47/21/716474721.db2.gz YKQAHVBMXQSKRU-MWDXBVQZSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960325342 716491338 /nfs/dbraw/zinc/49/13/38/716491338.db2.gz XSAWPQYYQOUSCU-LSBZLQRGSA-N 2 1 313.445 1.886 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961278369 716892280 /nfs/dbraw/zinc/89/22/80/716892280.db2.gz CAGVSINYOQMISX-QZTJIDSGSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798272 716964825 /nfs/dbraw/zinc/96/48/25/716964825.db2.gz FLCHZJIQOYDTCW-IAGOWNOFSA-N 2 1 319.493 1.814 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000965063079 717522910 /nfs/dbraw/zinc/52/29/10/717522910.db2.gz JTNZVYIGVJIVGL-JFPDKAJLSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205488 717547409 /nfs/dbraw/zinc/54/74/09/717547409.db2.gz UDFHRSMIEZFDCI-GUYCJALGSA-N 2 1 310.401 1.716 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708361 718976014 /nfs/dbraw/zinc/97/60/14/718976014.db2.gz RHHSUYSKXHELEV-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708361 718976015 /nfs/dbraw/zinc/97/60/15/718976015.db2.gz RHHSUYSKXHELEV-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C[C@@H]1C ZINC000948069046 719348984 /nfs/dbraw/zinc/34/89/84/719348984.db2.gz AYTKPSVGKRNHRU-FUHWJXTLSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948071576 719350202 /nfs/dbraw/zinc/35/02/02/719350202.db2.gz ZAOUHAZVIQCOBH-DOTOQJQBSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCF)CC1 ZINC000948449680 719505602 /nfs/dbraw/zinc/50/56/02/719505602.db2.gz UVFFEFIHOMJHHP-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCF)CC1 ZINC000948449680 719505603 /nfs/dbraw/zinc/50/56/03/719505603.db2.gz UVFFEFIHOMJHHP-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCF)CC1 ZINC000948449680 719505604 /nfs/dbraw/zinc/50/56/04/719505604.db2.gz UVFFEFIHOMJHHP-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCF)CC1 ZINC000948449680 719505606 /nfs/dbraw/zinc/50/56/06/719505606.db2.gz UVFFEFIHOMJHHP-HOTGVXAUSA-N 2 1 309.429 1.366 20 30 DDEDMP CC#CCN1CC[C@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000968331926 719512888 /nfs/dbraw/zinc/51/28/88/719512888.db2.gz RXROACLYPJCZCW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331926 719512893 /nfs/dbraw/zinc/51/28/93/719512893.db2.gz RXROACLYPJCZCW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331926 719512896 /nfs/dbraw/zinc/51/28/96/719512896.db2.gz RXROACLYPJCZCW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000968331926 719512898 /nfs/dbraw/zinc/51/28/98/719512898.db2.gz RXROACLYPJCZCW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948767474 719696434 /nfs/dbraw/zinc/69/64/34/719696434.db2.gz XENONNAUPLJNHP-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767474 719696437 /nfs/dbraw/zinc/69/64/37/719696437.db2.gz XENONNAUPLJNHP-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767474 719696439 /nfs/dbraw/zinc/69/64/39/719696439.db2.gz XENONNAUPLJNHP-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775719 719701017 /nfs/dbraw/zinc/70/10/17/719701017.db2.gz PIAFRWLNFDUCMK-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775719 719701019 /nfs/dbraw/zinc/70/10/19/719701019.db2.gz PIAFRWLNFDUCMK-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775719 719701020 /nfs/dbraw/zinc/70/10/20/719701020.db2.gz PIAFRWLNFDUCMK-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000968915104 719865852 /nfs/dbraw/zinc/86/58/52/719865852.db2.gz CIELZKWCNNQVBM-CHWSQXEVSA-N 2 1 308.813 1.704 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970317820 720706059 /nfs/dbraw/zinc/70/60/59/720706059.db2.gz LNTQMCKUGNRGCP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678189 735391895 /nfs/dbraw/zinc/39/18/95/735391895.db2.gz RBEYPZGPIDRSGY-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972672832 735456956 /nfs/dbraw/zinc/45/69/56/735456956.db2.gz AWFDIFQFQBTFMO-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972672832 735456959 /nfs/dbraw/zinc/45/69/59/735456959.db2.gz AWFDIFQFQBTFMO-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025601842 736779575 /nfs/dbraw/zinc/77/95/75/736779575.db2.gz VOAVTBQDQYTPFS-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001039115987 732761058 /nfs/dbraw/zinc/76/10/58/732761058.db2.gz PIPIRKHYJIPLIT-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021637267 733391020 /nfs/dbraw/zinc/39/10/20/733391020.db2.gz ZVEPKBHEPLBLQS-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021637267 733391022 /nfs/dbraw/zinc/39/10/22/733391022.db2.gz ZVEPKBHEPLBLQS-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021741001 733501622 /nfs/dbraw/zinc/50/16/22/733501622.db2.gz XXZCHYNUYYBBOV-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167581020 734760561 /nfs/dbraw/zinc/76/05/61/734760561.db2.gz OXNIPSFLIWPMIC-UHFFFAOYSA-N 2 1 322.453 1.695 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023457224 735248076 /nfs/dbraw/zinc/24/80/76/735248076.db2.gz KGADNHVAWANOFU-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457224 735248079 /nfs/dbraw/zinc/24/80/79/735248079.db2.gz KGADNHVAWANOFU-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457224 735248081 /nfs/dbraw/zinc/24/80/81/735248081.db2.gz KGADNHVAWANOFU-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438667 735828223 /nfs/dbraw/zinc/82/82/23/735828223.db2.gz UIUNEYAZJIEFLL-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479420 735855876 /nfs/dbraw/zinc/85/58/76/735855876.db2.gz HIQBMUCOAUIACI-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479420 735855879 /nfs/dbraw/zinc/85/58/79/735855879.db2.gz HIQBMUCOAUIACI-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479420 735855881 /nfs/dbraw/zinc/85/58/81/735855881.db2.gz HIQBMUCOAUIACI-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479420 735855883 /nfs/dbraw/zinc/85/58/83/735855883.db2.gz HIQBMUCOAUIACI-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520111 736738513 /nfs/dbraw/zinc/73/85/13/736738513.db2.gz AUXNYGFZCKCDES-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC=C)C2)CC1 ZINC001025629030 736795534 /nfs/dbraw/zinc/79/55/34/736795534.db2.gz ZBXIAQSPGYPTRB-SJLPKXTDSA-N 2 1 317.477 1.734 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001025817999 736869454 /nfs/dbraw/zinc/86/94/54/736869454.db2.gz KIBMIBDWVOJUKZ-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025817999 736869455 /nfs/dbraw/zinc/86/94/55/736869455.db2.gz KIBMIBDWVOJUKZ-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025817999 736869457 /nfs/dbraw/zinc/86/94/57/736869457.db2.gz KIBMIBDWVOJUKZ-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035395559 751465872 /nfs/dbraw/zinc/46/58/72/751465872.db2.gz XSSRVEBGNDESJP-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035395559 751465875 /nfs/dbraw/zinc/46/58/75/751465875.db2.gz XSSRVEBGNDESJP-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395559 751465880 /nfs/dbraw/zinc/46/58/80/751465880.db2.gz XSSRVEBGNDESJP-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395559 751465885 /nfs/dbraw/zinc/46/58/85/751465885.db2.gz XSSRVEBGNDESJP-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766383 740011337 /nfs/dbraw/zinc/01/13/37/740011337.db2.gz QUHYOQOSNMSCCY-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766383 740011339 /nfs/dbraw/zinc/01/13/39/740011339.db2.gz QUHYOQOSNMSCCY-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001035453862 751501726 /nfs/dbraw/zinc/50/17/26/751501726.db2.gz ZWXQTAIWBSCBTG-MRXNPFEDSA-N 2 1 314.389 1.341 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001035453862 751501731 /nfs/dbraw/zinc/50/17/31/751501731.db2.gz ZWXQTAIWBSCBTG-MRXNPFEDSA-N 2 1 314.389 1.341 20 30 DDEDMP C=C(C)CN1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035482900 751536680 /nfs/dbraw/zinc/53/66/80/751536680.db2.gz FGPUEYLJJCYXMH-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642405 740689207 /nfs/dbraw/zinc/68/92/07/740689207.db2.gz NGHNPMOCNVMZGA-DLBZAZTESA-N 2 1 310.401 1.940 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967680 740895277 /nfs/dbraw/zinc/89/52/77/740895277.db2.gz GUHAVAZKWJVFMO-FGTMMUONSA-N 2 1 317.477 1.685 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088063906 740978215 /nfs/dbraw/zinc/97/82/15/740978215.db2.gz BXEJJAPGALJCIL-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075875736 741443129 /nfs/dbraw/zinc/44/31/29/741443129.db2.gz GYPPPBLCXQVHCE-GVDBMIGSSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001088399869 741462662 /nfs/dbraw/zinc/46/26/62/741462662.db2.gz WSLBESXHNPNDOU-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H]1C ZINC001088582271 741898718 /nfs/dbraw/zinc/89/87/18/741898718.db2.gz GUEQISDBIKKOOA-WWGRRREGSA-N 2 1 315.421 1.002 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H]1C ZINC001088582271 741898722 /nfs/dbraw/zinc/89/87/22/741898722.db2.gz GUEQISDBIKKOOA-WWGRRREGSA-N 2 1 315.421 1.002 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001088654105 742052979 /nfs/dbraw/zinc/05/29/79/742052979.db2.gz YWRLCBLKPZWVOX-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014432303 742178493 /nfs/dbraw/zinc/17/84/93/742178493.db2.gz IHFIZNJWEZYLHY-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014432303 742178498 /nfs/dbraw/zinc/17/84/98/742178498.db2.gz IHFIZNJWEZYLHY-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014432303 742178503 /nfs/dbraw/zinc/17/85/03/742178503.db2.gz IHFIZNJWEZYLHY-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821906 742460025 /nfs/dbraw/zinc/46/00/25/742460025.db2.gz SNZLQCGRWXHRJK-INWMFGNUSA-N 2 1 302.422 1.519 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821906 742460027 /nfs/dbraw/zinc/46/00/27/742460027.db2.gz SNZLQCGRWXHRJK-INWMFGNUSA-N 2 1 302.422 1.519 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088823862 742465081 /nfs/dbraw/zinc/46/50/81/742465081.db2.gz GOZBBDSGCIDITK-KMFMINBZSA-N 2 1 314.433 1.356 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088823862 742465083 /nfs/dbraw/zinc/46/50/83/742465083.db2.gz GOZBBDSGCIDITK-KMFMINBZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001016331050 743410886 /nfs/dbraw/zinc/41/08/86/743410886.db2.gz JBJWKONQRVSARH-NKPGBKMFSA-N 2 1 309.841 1.275 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002876371 743542446 /nfs/dbraw/zinc/54/24/46/743542446.db2.gz YDQXPFDIBVCQFL-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168392132 743812752 /nfs/dbraw/zinc/81/27/52/743812752.db2.gz VUHBNHXBRDOFCB-UHFFFAOYSA-N 2 1 317.861 1.337 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035750488 751863762 /nfs/dbraw/zinc/86/37/62/751863762.db2.gz PCXDFCSAGMUNOD-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC(C)(C)C1)CC2 ZINC001035798457 751886831 /nfs/dbraw/zinc/88/68/31/751886831.db2.gz NNXWZNBOODUFLJ-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)[C@H]1C ZINC001088984507 744428484 /nfs/dbraw/zinc/42/84/84/744428484.db2.gz DXDPOYGGZKMRII-HIFRSBDPSA-N 2 1 302.422 1.916 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088984507 744428486 /nfs/dbraw/zinc/42/84/86/744428486.db2.gz DXDPOYGGZKMRII-HIFRSBDPSA-N 2 1 302.422 1.916 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185751 744670745 /nfs/dbraw/zinc/67/07/45/744670745.db2.gz CNNHLDQXSNPXNM-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185751 744670747 /nfs/dbraw/zinc/67/07/47/744670747.db2.gz CNNHLDQXSNPXNM-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC000992185751 744670749 /nfs/dbraw/zinc/67/07/49/744670749.db2.gz CNNHLDQXSNPXNM-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658878 744738041 /nfs/dbraw/zinc/73/80/41/744738041.db2.gz PEBMGEMQJPGUEV-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658878 744738044 /nfs/dbraw/zinc/73/80/44/744738044.db2.gz PEBMGEMQJPGUEV-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188658878 744738046 /nfs/dbraw/zinc/73/80/46/744738046.db2.gz PEBMGEMQJPGUEV-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(C[NH+](CCF)C3)CC2)CC1 ZINC001035857340 751953298 /nfs/dbraw/zinc/95/32/98/751953298.db2.gz RIEYPTSCVRSUDI-UHFFFAOYSA-N 2 1 321.440 1.226 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106152159 745129135 /nfs/dbraw/zinc/12/91/35/745129135.db2.gz HJKNWSVSHXOMCW-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191544027 745538411 /nfs/dbraw/zinc/53/84/11/745538411.db2.gz WKWITAAOQXWUBV-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431982 745695569 /nfs/dbraw/zinc/69/55/69/745695569.db2.gz OSENTBURUKBMJZ-BXUZGUMPSA-N 2 1 310.829 1.628 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106665293 745885078 /nfs/dbraw/zinc/88/50/78/745885078.db2.gz QSKKZFYZCYGNIL-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192918015 745928339 /nfs/dbraw/zinc/92/83/39/745928339.db2.gz VHBHSEVXLNPLJV-IRXDYDNUSA-N 2 1 307.482 1.909 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994130361 746455954 /nfs/dbraw/zinc/45/59/54/746455954.db2.gz XKAISRHIKRYUDW-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCF)[C@@H]2C)CC1 ZINC000994501326 746697933 /nfs/dbraw/zinc/69/79/33/746697933.db2.gz SVBCVSLMEXQIEN-GDBMZVCRSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCF)[C@@H]2C)CC1 ZINC000994501326 746697935 /nfs/dbraw/zinc/69/79/35/746697935.db2.gz SVBCVSLMEXQIEN-GDBMZVCRSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527595 747158507 /nfs/dbraw/zinc/15/85/07/747158507.db2.gz QSODTFMVCFHCFU-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001106927331 748165346 /nfs/dbraw/zinc/16/53/46/748165346.db2.gz KGGJRXVMPYWKMQ-NUJGCVRESA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658839 748319241 /nfs/dbraw/zinc/31/92/41/748319241.db2.gz WRGZITYMFKKPMI-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704660 748324341 /nfs/dbraw/zinc/32/43/41/748324341.db2.gz OMCAVKAFCAGLAV-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP COc1nc(NC(=N)N2CCN(C)CC2)c(C#N)c(C)c1Cl ZINC001168735675 748434302 /nfs/dbraw/zinc/43/43/02/748434302.db2.gz CSPFSXNVNPTRTD-UHFFFAOYSA-N 2 1 322.800 1.518 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201422316 748510821 /nfs/dbraw/zinc/51/08/21/748510821.db2.gz ZLIAINSMPZVZEV-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143883 748536236 /nfs/dbraw/zinc/53/62/36/748536236.db2.gz NEVROIIHDMWEEK-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143883 748536240 /nfs/dbraw/zinc/53/62/40/748536240.db2.gz NEVROIIHDMWEEK-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143883 748536242 /nfs/dbraw/zinc/53/62/42/748536242.db2.gz NEVROIIHDMWEEK-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145303 748554215 /nfs/dbraw/zinc/55/42/15/748554215.db2.gz HEHCGFZZGZPRRB-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145303 748554216 /nfs/dbraw/zinc/55/42/16/748554216.db2.gz HEHCGFZZGZPRRB-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145303 748554219 /nfs/dbraw/zinc/55/42/19/748554219.db2.gz HEHCGFZZGZPRRB-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)CCCO1 ZINC001201612239 748559403 /nfs/dbraw/zinc/55/94/03/748559403.db2.gz NPULJMMNAWNCHD-ZBFHGGJFSA-N 2 1 320.437 1.372 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599070 748577181 /nfs/dbraw/zinc/57/71/81/748577181.db2.gz BVWJMBMTXVUNSL-KRWDZBQOSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202164492 748702097 /nfs/dbraw/zinc/70/20/97/748702097.db2.gz PTORIWNHFVOLDI-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202164492 748702101 /nfs/dbraw/zinc/70/21/01/748702101.db2.gz PTORIWNHFVOLDI-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077582664 749034415 /nfs/dbraw/zinc/03/44/15/749034415.db2.gz OGTBWWHXUXGWEL-HUUCEWRRSA-N 2 1 321.421 1.082 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077582664 749034418 /nfs/dbraw/zinc/03/44/18/749034418.db2.gz OGTBWWHXUXGWEL-HUUCEWRRSA-N 2 1 321.421 1.082 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995918680 749289107 /nfs/dbraw/zinc/28/91/07/749289107.db2.gz OYKGMAYOBCYJRL-KBPBESRZSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC000995982424 749314773 /nfs/dbraw/zinc/31/47/73/749314773.db2.gz AMWUUVDJXZTPTD-AWEZNQCLSA-N 2 1 306.410 1.362 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996300213 749496900 /nfs/dbraw/zinc/49/69/00/749496900.db2.gz KJGODJNUYZFAFB-KBXCAEBGSA-N 2 1 323.456 1.659 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000996624582 749784890 /nfs/dbraw/zinc/78/48/90/749784890.db2.gz YTRGVAAROGTWKR-MRXNPFEDSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000996624582 749784895 /nfs/dbraw/zinc/78/48/95/749784895.db2.gz YTRGVAAROGTWKR-MRXNPFEDSA-N 2 1 317.437 1.557 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039386306 761986086 /nfs/dbraw/zinc/98/60/86/761986086.db2.gz IIOBNYMQUOQCHE-CVEARBPZSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039386306 761986088 /nfs/dbraw/zinc/98/60/88/761986088.db2.gz IIOBNYMQUOQCHE-CVEARBPZSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001039425044 762022706 /nfs/dbraw/zinc/02/27/06/762022706.db2.gz QIOIFPSKVHOLMF-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001039425044 762022716 /nfs/dbraw/zinc/02/27/16/762022716.db2.gz QIOIFPSKVHOLMF-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001039425044 762022725 /nfs/dbraw/zinc/02/27/25/762022725.db2.gz QIOIFPSKVHOLMF-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001039425044 762022735 /nfs/dbraw/zinc/02/27/35/762022735.db2.gz QIOIFPSKVHOLMF-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034535548 750537200 /nfs/dbraw/zinc/53/72/00/750537200.db2.gz SGXJJLOPEDYQTK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535548 750537204 /nfs/dbraw/zinc/53/72/04/750537204.db2.gz SGXJJLOPEDYQTK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535548 750537206 /nfs/dbraw/zinc/53/72/06/750537206.db2.gz SGXJJLOPEDYQTK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535548 750537210 /nfs/dbraw/zinc/53/72/10/750537210.db2.gz SGXJJLOPEDYQTK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001034653711 750632875 /nfs/dbraw/zinc/63/28/75/750632875.db2.gz QQSNJFFSEHTLGT-LUKYLMHMSA-N 2 1 321.465 1.443 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114502712 750665353 /nfs/dbraw/zinc/66/53/53/750665353.db2.gz ZVFSZQGLPOROIQ-FVQHAEBGSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502712 750665355 /nfs/dbraw/zinc/66/53/55/750665355.db2.gz ZVFSZQGLPOROIQ-FVQHAEBGSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114502712 750665358 /nfs/dbraw/zinc/66/53/58/750665358.db2.gz ZVFSZQGLPOROIQ-FVQHAEBGSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001005586145 750669770 /nfs/dbraw/zinc/66/97/70/750669770.db2.gz VJZRHGVPRPCKMV-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271850 750726033 /nfs/dbraw/zinc/72/60/33/750726033.db2.gz OGEUTIOEFXOGAG-NVXWUHKLSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271850 750726037 /nfs/dbraw/zinc/72/60/37/750726037.db2.gz OGEUTIOEFXOGAG-NVXWUHKLSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000682083 762085242 /nfs/dbraw/zinc/08/52/42/762085242.db2.gz HPRFUKPDERHNEN-QZTJIDSGSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000682083 762085251 /nfs/dbraw/zinc/08/52/51/762085251.db2.gz HPRFUKPDERHNEN-QZTJIDSGSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000682083 762085262 /nfs/dbraw/zinc/08/52/62/762085262.db2.gz HPRFUKPDERHNEN-QZTJIDSGSA-N 2 1 315.461 1.632 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035226710 751304701 /nfs/dbraw/zinc/30/47/01/751304701.db2.gz KPCTXRZZSXHDRY-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035226710 751304706 /nfs/dbraw/zinc/30/47/06/751304706.db2.gz KPCTXRZZSXHDRY-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)CC2 ZINC001035226710 751304713 /nfs/dbraw/zinc/30/47/13/751304713.db2.gz KPCTXRZZSXHDRY-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035227998 751306450 /nfs/dbraw/zinc/30/64/50/751306450.db2.gz DDIZZVWTMPUEOE-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035227998 751306455 /nfs/dbraw/zinc/30/64/55/751306455.db2.gz DDIZZVWTMPUEOE-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035227998 751306460 /nfs/dbraw/zinc/30/64/60/751306460.db2.gz DDIZZVWTMPUEOE-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008279855 752650734 /nfs/dbraw/zinc/65/07/34/752650734.db2.gz KDFCHKMPKUODEM-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008279855 752650740 /nfs/dbraw/zinc/65/07/40/752650740.db2.gz KDFCHKMPKUODEM-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279855 752650745 /nfs/dbraw/zinc/65/07/45/752650745.db2.gz KDFCHKMPKUODEM-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279855 752650747 /nfs/dbraw/zinc/65/07/47/752650747.db2.gz KDFCHKMPKUODEM-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001000791116 762205749 /nfs/dbraw/zinc/20/57/49/762205749.db2.gz MAYIMTACAJSXKJ-WBVHZDCISA-N 2 1 321.440 1.580 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001000791116 762205752 /nfs/dbraw/zinc/20/57/52/762205752.db2.gz MAYIMTACAJSXKJ-WBVHZDCISA-N 2 1 321.440 1.580 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC[C@@H](C)F)CC1 ZINC001000791116 762205754 /nfs/dbraw/zinc/20/57/54/762205754.db2.gz MAYIMTACAJSXKJ-WBVHZDCISA-N 2 1 321.440 1.580 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC[C@@H](C)F)CC1 ZINC001000791116 762205757 /nfs/dbraw/zinc/20/57/57/762205757.db2.gz MAYIMTACAJSXKJ-WBVHZDCISA-N 2 1 321.440 1.580 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107992999 753354582 /nfs/dbraw/zinc/35/45/82/753354582.db2.gz GEBNNZDRUIEWEI-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC=C(C)C)CC1 ZINC001032800599 754040584 /nfs/dbraw/zinc/04/05/84/754040584.db2.gz PYJGGHCULYHACH-ROUUACIJSA-N 2 1 315.461 1.583 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951625 755650215 /nfs/dbraw/zinc/65/02/15/755650215.db2.gz YJBFBBJXFLWVCU-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001079951625 755650220 /nfs/dbraw/zinc/65/02/20/755650220.db2.gz YJBFBBJXFLWVCU-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001079951625 755650222 /nfs/dbraw/zinc/65/02/22/755650222.db2.gz YJBFBBJXFLWVCU-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001079951625 755650226 /nfs/dbraw/zinc/65/02/26/755650226.db2.gz YJBFBBJXFLWVCU-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015213895 756172944 /nfs/dbraw/zinc/17/29/44/756172944.db2.gz AMZNFIUNPDYAIP-CQSZACIVSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001081098127 756206035 /nfs/dbraw/zinc/20/60/35/756206035.db2.gz WILANZQWMGZKIS-RCCFBDPRSA-N 2 1 311.429 1.298 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237113 762451825 /nfs/dbraw/zinc/45/18/25/762451825.db2.gz QPVOKKBSTPXEBS-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC=C)C2 ZINC001040244069 762455830 /nfs/dbraw/zinc/45/58/30/762455830.db2.gz GVWWJDWWSCMILX-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC=C)C2 ZINC001040244069 762455832 /nfs/dbraw/zinc/45/58/32/762455832.db2.gz GVWWJDWWSCMILX-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C)C2 ZINC001040244069 762455835 /nfs/dbraw/zinc/45/58/35/762455835.db2.gz GVWWJDWWSCMILX-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC=C)C2 ZINC001040244069 762455837 /nfs/dbraw/zinc/45/58/37/762455837.db2.gz GVWWJDWWSCMILX-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788208 756458992 /nfs/dbraw/zinc/45/89/92/756458992.db2.gz ISOJTNNNFQXZTQ-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788208 756458994 /nfs/dbraw/zinc/45/89/94/756458994.db2.gz ISOJTNNNFQXZTQ-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788208 756458996 /nfs/dbraw/zinc/45/89/96/756458996.db2.gz ISOJTNNNFQXZTQ-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110558 757117243 /nfs/dbraw/zinc/11/72/43/757117243.db2.gz JTYKLRTWYSTROT-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110558 757117245 /nfs/dbraw/zinc/11/72/45/757117245.db2.gz JTYKLRTWYSTROT-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110558 757117248 /nfs/dbraw/zinc/11/72/48/757117248.db2.gz JTYKLRTWYSTROT-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016618175 757209135 /nfs/dbraw/zinc/20/91/35/757209135.db2.gz QDYOTGMQAJRFRB-HZPDHXFCSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016662070 757245933 /nfs/dbraw/zinc/24/59/33/757245933.db2.gz HSPDPXUFQOMKQI-CABCVRRESA-N 2 1 314.433 1.917 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001016671251 757254074 /nfs/dbraw/zinc/25/40/74/757254074.db2.gz VWFANSFYAKPYDU-IRXDYDNUSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001016671251 757254082 /nfs/dbraw/zinc/25/40/82/757254082.db2.gz VWFANSFYAKPYDU-IRXDYDNUSA-N 2 1 313.445 1.078 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001086377 762539229 /nfs/dbraw/zinc/53/92/29/762539229.db2.gz LHNVJWCVVGKHMO-INIZCTEOSA-N 2 1 314.433 1.688 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001086377 762539235 /nfs/dbraw/zinc/53/92/35/762539235.db2.gz LHNVJWCVVGKHMO-INIZCTEOSA-N 2 1 314.433 1.688 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405723 757561328 /nfs/dbraw/zinc/56/13/28/757561328.db2.gz ZRAVJPSVXSADEJ-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405723 757561336 /nfs/dbraw/zinc/56/13/36/757561336.db2.gz ZRAVJPSVXSADEJ-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405723 757561342 /nfs/dbraw/zinc/56/13/42/757561342.db2.gz ZRAVJPSVXSADEJ-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947522 757994347 /nfs/dbraw/zinc/99/43/47/757994347.db2.gz RVSCLZUWIKSYCR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947522 757994355 /nfs/dbraw/zinc/99/43/55/757994355.db2.gz RVSCLZUWIKSYCR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947522 757994365 /nfs/dbraw/zinc/99/43/65/757994365.db2.gz RVSCLZUWIKSYCR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947522 757994371 /nfs/dbraw/zinc/99/43/71/757994371.db2.gz RVSCLZUWIKSYCR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569447 758039467 /nfs/dbraw/zinc/03/94/67/758039467.db2.gz MEAUMTYEQPQEIX-TWMKSMIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017569447 758039473 /nfs/dbraw/zinc/03/94/73/758039473.db2.gz MEAUMTYEQPQEIX-TWMKSMIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017569447 758039479 /nfs/dbraw/zinc/03/94/79/758039479.db2.gz MEAUMTYEQPQEIX-TWMKSMIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001018290074 758702688 /nfs/dbraw/zinc/70/26/88/758702688.db2.gz VJBXLENBSOTVPS-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001018290074 758702692 /nfs/dbraw/zinc/70/26/92/758702692.db2.gz VJBXLENBSOTVPS-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001018290074 758702695 /nfs/dbraw/zinc/70/26/95/758702695.db2.gz VJBXLENBSOTVPS-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001018290074 758702702 /nfs/dbraw/zinc/70/27/02/758702702.db2.gz VJBXLENBSOTVPS-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040747788 762670412 /nfs/dbraw/zinc/67/04/12/762670412.db2.gz WAOWCZNWTQNRBD-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001245646 762693420 /nfs/dbraw/zinc/69/34/20/762693420.db2.gz QBUBOJIMIGXGQJ-IRXDYDNUSA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001245646 762693424 /nfs/dbraw/zinc/69/34/24/762693424.db2.gz QBUBOJIMIGXGQJ-IRXDYDNUSA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001245646 762693426 /nfs/dbraw/zinc/69/34/26/762693426.db2.gz QBUBOJIMIGXGQJ-IRXDYDNUSA-N 2 1 303.450 1.938 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197714 759282854 /nfs/dbraw/zinc/28/28/54/759282854.db2.gz HBBSLAMWSCXPNF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197714 759282862 /nfs/dbraw/zinc/28/28/62/759282862.db2.gz HBBSLAMWSCXPNF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197714 759282872 /nfs/dbraw/zinc/28/28/72/759282872.db2.gz HBBSLAMWSCXPNF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054228769 759317333 /nfs/dbraw/zinc/31/73/33/759317333.db2.gz ZJMHDZDBHHOTGU-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228769 759317343 /nfs/dbraw/zinc/31/73/43/759317343.db2.gz ZJMHDZDBHHOTGU-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228769 759317356 /nfs/dbraw/zinc/31/73/56/759317356.db2.gz ZJMHDZDBHHOTGU-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730819 767861224 /nfs/dbraw/zinc/86/12/24/767861224.db2.gz GIRGUOVDIWOBTG-KRWDZBQOSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046730819 767861232 /nfs/dbraw/zinc/86/12/32/767861232.db2.gz GIRGUOVDIWOBTG-KRWDZBQOSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001018985910 759478981 /nfs/dbraw/zinc/47/89/81/759478981.db2.gz LUOJHCIYNJFMLL-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001018985910 759478988 /nfs/dbraw/zinc/47/89/88/759478988.db2.gz LUOJHCIYNJFMLL-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001038694912 761296702 /nfs/dbraw/zinc/29/67/02/761296702.db2.gz AXEXTLIPHOMWIC-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001038694912 761296708 /nfs/dbraw/zinc/29/67/08/761296708.db2.gz AXEXTLIPHOMWIC-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000332736 761649291 /nfs/dbraw/zinc/64/92/91/761649291.db2.gz JVGRZKMCRPJWAX-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001086478971 761683965 /nfs/dbraw/zinc/68/39/65/761683965.db2.gz JAYXTPBVJWJNBC-HDJSIYSDSA-N 2 1 316.405 1.002 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243310 761880989 /nfs/dbraw/zinc/88/09/89/761880989.db2.gz UINJIEVKBQDLTK-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001001479465 762902507 /nfs/dbraw/zinc/90/25/07/762902507.db2.gz PRMPDTUVKUJEFM-MRXNPFEDSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339420 762966442 /nfs/dbraw/zinc/96/64/42/762966442.db2.gz OACQONQLDARPOF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339420 762966445 /nfs/dbraw/zinc/96/64/45/762966445.db2.gz OACQONQLDARPOF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339420 762966447 /nfs/dbraw/zinc/96/64/47/762966447.db2.gz OACQONQLDARPOF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404727 763008301 /nfs/dbraw/zinc/00/83/01/763008301.db2.gz VMDHCMPNYPRDJR-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404727 763008305 /nfs/dbraw/zinc/00/83/05/763008305.db2.gz VMDHCMPNYPRDJR-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404727 763008308 /nfs/dbraw/zinc/00/83/08/763008308.db2.gz VMDHCMPNYPRDJR-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404727 763008312 /nfs/dbraw/zinc/00/83/12/763008312.db2.gz VMDHCMPNYPRDJR-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cncc3C)C2)C1 ZINC001041475024 763060235 /nfs/dbraw/zinc/06/02/35/763060235.db2.gz HDVLUROKHWZZBF-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041475024 763060240 /nfs/dbraw/zinc/06/02/40/763060240.db2.gz HDVLUROKHWZZBF-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041475024 763060245 /nfs/dbraw/zinc/06/02/45/763060245.db2.gz HDVLUROKHWZZBF-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046953195 768147323 /nfs/dbraw/zinc/14/73/23/768147323.db2.gz HBOKKHBTILJBNI-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046953195 768147325 /nfs/dbraw/zinc/14/73/25/768147325.db2.gz HBOKKHBTILJBNI-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046953195 768147329 /nfs/dbraw/zinc/14/73/29/768147329.db2.gz HBOKKHBTILJBNI-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046953195 768147331 /nfs/dbraw/zinc/14/73/31/768147331.db2.gz HBOKKHBTILJBNI-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042158531 763723999 /nfs/dbraw/zinc/72/39/99/763723999.db2.gz YTDMMAKCUOUPKD-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042158531 763724003 /nfs/dbraw/zinc/72/40/03/763724003.db2.gz YTDMMAKCUOUPKD-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565408 763824150 /nfs/dbraw/zinc/82/41/50/763824150.db2.gz NSNQDVDCWAJCGB-IKGGRYGDSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042287393 763863354 /nfs/dbraw/zinc/86/33/54/763863354.db2.gz ILRNNYBKILENRV-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586179 764427730 /nfs/dbraw/zinc/42/77/30/764427730.db2.gz LCSRFNRVDNXPMI-WMZOPIPTSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447008 765836910 /nfs/dbraw/zinc/83/69/10/765836910.db2.gz VLHNOQHDXQZGEF-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447008 765836916 /nfs/dbraw/zinc/83/69/16/765836916.db2.gz VLHNOQHDXQZGEF-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447008 765836922 /nfs/dbraw/zinc/83/69/22/765836922.db2.gz VLHNOQHDXQZGEF-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527799 765923460 /nfs/dbraw/zinc/92/34/60/765923460.db2.gz IHPIHRUCCKRWSD-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702465 766168957 /nfs/dbraw/zinc/16/89/57/766168957.db2.gz UCQQPVXDOXCLOC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157702465 766168962 /nfs/dbraw/zinc/16/89/62/766168962.db2.gz UCQQPVXDOXCLOC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157702465 766168966 /nfs/dbraw/zinc/16/89/66/766168966.db2.gz UCQQPVXDOXCLOC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304580 766867821 /nfs/dbraw/zinc/86/78/21/766867821.db2.gz UKAOWEKQEMHSNC-SZOQZIPDSA-N 2 1 302.422 1.629 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304580 766867829 /nfs/dbraw/zinc/86/78/29/766867829.db2.gz UKAOWEKQEMHSNC-SZOQZIPDSA-N 2 1 302.422 1.629 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csc(C)c1 ZINC001129771472 766999931 /nfs/dbraw/zinc/99/99/31/766999931.db2.gz YAQKLYPZFOEJPT-HNNXBMFYSA-N 2 1 305.447 1.360 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csc(C)c1 ZINC001129771472 766999942 /nfs/dbraw/zinc/99/99/42/766999942.db2.gz YAQKLYPZFOEJPT-HNNXBMFYSA-N 2 1 305.447 1.360 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318504 767416564 /nfs/dbraw/zinc/41/65/64/767416564.db2.gz MENIYCDJCOBIDY-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046318504 767416566 /nfs/dbraw/zinc/41/65/66/767416566.db2.gz MENIYCDJCOBIDY-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046318504 767416569 /nfs/dbraw/zinc/41/65/69/767416569.db2.gz MENIYCDJCOBIDY-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132364932 768778832 /nfs/dbraw/zinc/77/88/32/768778832.db2.gz GXUNXCHVRPAQBJ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132364932 768778835 /nfs/dbraw/zinc/77/88/35/768778835.db2.gz GXUNXCHVRPAQBJ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001048511348 769471530 /nfs/dbraw/zinc/47/15/30/769471530.db2.gz AUMSMRUAEYAGQJ-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001048511348 769471534 /nfs/dbraw/zinc/47/15/34/769471534.db2.gz AUMSMRUAEYAGQJ-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001048511348 769471543 /nfs/dbraw/zinc/47/15/43/769471543.db2.gz AUMSMRUAEYAGQJ-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048511348 769471552 /nfs/dbraw/zinc/47/15/52/769471552.db2.gz AUMSMRUAEYAGQJ-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048511348 769471559 /nfs/dbraw/zinc/47/15/59/769471559.db2.gz AUMSMRUAEYAGQJ-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071644957 769781488 /nfs/dbraw/zinc/78/14/88/769781488.db2.gz DXWXWRSFLHKXCW-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071644957 769781495 /nfs/dbraw/zinc/78/14/95/769781495.db2.gz DXWXWRSFLHKXCW-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071689309 769885363 /nfs/dbraw/zinc/88/53/63/769885363.db2.gz INNNCUWKRIOQGQ-HOCLYGCPSA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048894978 770067984 /nfs/dbraw/zinc/06/79/84/770067984.db2.gz KJJCVRNEMSZCGV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048894978 770067997 /nfs/dbraw/zinc/06/79/97/770067997.db2.gz KJJCVRNEMSZCGV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048894978 770068010 /nfs/dbraw/zinc/06/80/10/770068010.db2.gz KJJCVRNEMSZCGV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071871705 770204722 /nfs/dbraw/zinc/20/47/22/770204722.db2.gz JQFRAAREFSKKIS-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716859 771110014 /nfs/dbraw/zinc/11/00/14/771110014.db2.gz GYBMMIFRYZDCPP-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716859 771110018 /nfs/dbraw/zinc/11/00/18/771110018.db2.gz GYBMMIFRYZDCPP-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716859 771110021 /nfs/dbraw/zinc/11/00/21/771110021.db2.gz GYBMMIFRYZDCPP-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049720654 771113445 /nfs/dbraw/zinc/11/34/45/771113445.db2.gz SBIHHAOBTRVZIT-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049720654 771113448 /nfs/dbraw/zinc/11/34/48/771113448.db2.gz SBIHHAOBTRVZIT-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049720654 771113452 /nfs/dbraw/zinc/11/34/52/771113452.db2.gz SBIHHAOBTRVZIT-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806016 771175272 /nfs/dbraw/zinc/17/52/72/771175272.db2.gz LXNSLWFVHCFIMN-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001096609143 771293437 /nfs/dbraw/zinc/29/34/37/771293437.db2.gz KEACVZSQUDRBDM-NJAFHUGGSA-N 2 1 311.429 1.717 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583771 771587547 /nfs/dbraw/zinc/58/75/47/771587547.db2.gz FDZDYFBZDILXGU-LSDHHAIUSA-N 2 1 304.438 1.903 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147646936 773189629 /nfs/dbraw/zinc/18/96/29/773189629.db2.gz KDSMUCNVZJQABE-OAHLLOKOSA-N 2 1 309.429 1.224 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001099895970 773679609 /nfs/dbraw/zinc/67/96/09/773679609.db2.gz CEJVEARHRGVBHO-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001099895970 773679612 /nfs/dbraw/zinc/67/96/12/773679612.db2.gz CEJVEARHRGVBHO-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001099895970 773679614 /nfs/dbraw/zinc/67/96/14/773679614.db2.gz CEJVEARHRGVBHO-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092200254 774002169 /nfs/dbraw/zinc/00/21/69/774002169.db2.gz GOXKQXVXBLQTPL-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092200254 774002173 /nfs/dbraw/zinc/00/21/73/774002173.db2.gz GOXKQXVXBLQTPL-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092200254 774002179 /nfs/dbraw/zinc/00/21/79/774002179.db2.gz GOXKQXVXBLQTPL-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092287166 774061795 /nfs/dbraw/zinc/06/17/95/774061795.db2.gz WGWOZXAWTBBGCE-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092287166 774061799 /nfs/dbraw/zinc/06/17/99/774061799.db2.gz WGWOZXAWTBBGCE-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092287166 774061804 /nfs/dbraw/zinc/06/18/04/774061804.db2.gz WGWOZXAWTBBGCE-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092287166 774061810 /nfs/dbraw/zinc/06/18/10/774061810.db2.gz WGWOZXAWTBBGCE-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092286726 774062182 /nfs/dbraw/zinc/06/21/82/774062182.db2.gz JXTJKUOSKZRDOB-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092286726 774062186 /nfs/dbraw/zinc/06/21/86/774062186.db2.gz JXTJKUOSKZRDOB-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092286726 774062188 /nfs/dbraw/zinc/06/21/88/774062188.db2.gz JXTJKUOSKZRDOB-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092286726 774062193 /nfs/dbraw/zinc/06/21/93/774062193.db2.gz JXTJKUOSKZRDOB-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001092829728 774284455 /nfs/dbraw/zinc/28/44/55/774284455.db2.gz CQFWADGJYLPUGM-GDBMZVCRSA-N 2 1 310.401 1.655 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093226183 774536728 /nfs/dbraw/zinc/53/67/28/774536728.db2.gz XWZHJUXQDUMTGP-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093226183 774536731 /nfs/dbraw/zinc/53/67/31/774536731.db2.gz XWZHJUXQDUMTGP-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093226183 774536737 /nfs/dbraw/zinc/53/67/37/774536737.db2.gz XWZHJUXQDUMTGP-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099009126 774770577 /nfs/dbraw/zinc/77/05/77/774770577.db2.gz SJOZDFLCWTUXLL-WMZOPIPTSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099271692 774927641 /nfs/dbraw/zinc/92/76/41/774927641.db2.gz ZWLSFQMNWCYYDV-JHJVBQTASA-N 2 1 317.355 1.083 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099271692 774927646 /nfs/dbraw/zinc/92/76/46/774927646.db2.gz ZWLSFQMNWCYYDV-JHJVBQTASA-N 2 1 317.355 1.083 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001099307208 774940568 /nfs/dbraw/zinc/94/05/68/774940568.db2.gz IUSSJJFPVDCTNJ-JHJVBQTASA-N 2 1 319.371 1.493 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099311146 774942013 /nfs/dbraw/zinc/94/20/13/774942013.db2.gz YJWBBYXWHPMHLK-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099311146 774942017 /nfs/dbraw/zinc/94/20/17/774942017.db2.gz YJWBBYXWHPMHLK-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099311146 774942019 /nfs/dbraw/zinc/94/20/19/774942019.db2.gz YJWBBYXWHPMHLK-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036870572 775007239 /nfs/dbraw/zinc/00/72/39/775007239.db2.gz XPXPBPWTOWHFAY-GJZGRUSLSA-N 2 1 323.868 1.758 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099585429 775049670 /nfs/dbraw/zinc/04/96/70/775049670.db2.gz UCKKAWBCCAKNRM-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930902 775436647 /nfs/dbraw/zinc/43/66/47/775436647.db2.gz NZLFWYVOIZJRBL-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930902 775436657 /nfs/dbraw/zinc/43/66/57/775436657.db2.gz NZLFWYVOIZJRBL-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001099930902 775436667 /nfs/dbraw/zinc/43/66/67/775436667.db2.gz NZLFWYVOIZJRBL-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001100382956 776079529 /nfs/dbraw/zinc/07/95/29/776079529.db2.gz FBFLCMPODQRSCD-OFLPRAFFSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599298 776350562 /nfs/dbraw/zinc/35/05/62/776350562.db2.gz RFRFOBWDDIBOMN-AQFXKWCLSA-N 2 1 305.466 1.616 20 30 DDEDMP C[C@H](CCCC#N)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001172504566 776805812 /nfs/dbraw/zinc/80/58/12/776805812.db2.gz HADCEXHIUHPKCC-OAHLLOKOSA-N 2 1 306.454 1.555 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101066714 776873959 /nfs/dbraw/zinc/87/39/59/776873959.db2.gz DZSCWSODXDQCGH-UHFFFAOYSA-N 2 1 301.434 1.789 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101066714 776873965 /nfs/dbraw/zinc/87/39/65/776873965.db2.gz DZSCWSODXDQCGH-UHFFFAOYSA-N 2 1 301.434 1.789 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001150318574 777404116 /nfs/dbraw/zinc/40/41/16/777404116.db2.gz RTFRFMXJLROCSR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150318574 777404118 /nfs/dbraw/zinc/40/41/18/777404118.db2.gz RTFRFMXJLROCSR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150318574 777404123 /nfs/dbraw/zinc/40/41/23/777404123.db2.gz RTFRFMXJLROCSR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753323 778244025 /nfs/dbraw/zinc/24/40/25/778244025.db2.gz FYPABUKSSSSHLG-MRXNPFEDSA-N 2 1 313.486 1.794 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177089918 778443123 /nfs/dbraw/zinc/44/31/23/778443123.db2.gz WQPIUOCIAHNHFO-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177089918 778443124 /nfs/dbraw/zinc/44/31/24/778443124.db2.gz WQPIUOCIAHNHFO-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994085 778540312 /nfs/dbraw/zinc/54/03/12/778540312.db2.gz OQEXZQJFFKMKGW-NXHRZFHOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646914 778979369 /nfs/dbraw/zinc/97/93/69/778979369.db2.gz MADYBGWKNOOWSF-HZPDHXFCSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150795114 779010983 /nfs/dbraw/zinc/01/09/83/779010983.db2.gz NQHIVYPUILAUAB-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150795114 779010988 /nfs/dbraw/zinc/01/09/88/779010988.db2.gz NQHIVYPUILAUAB-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150795114 779011001 /nfs/dbraw/zinc/01/10/01/779011001.db2.gz NQHIVYPUILAUAB-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001118029321 780996092 /nfs/dbraw/zinc/99/60/92/780996092.db2.gz UDRCGEMTHITEPR-UHFFFAOYSA-N 2 1 306.454 1.117 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266459024 836288545 /nfs/dbraw/zinc/28/85/45/836288545.db2.gz IKBSRQGSWZNBOT-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266459024 836288558 /nfs/dbraw/zinc/28/85/58/836288558.db2.gz IKBSRQGSWZNBOT-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266459024 836288573 /nfs/dbraw/zinc/28/85/73/836288573.db2.gz IKBSRQGSWZNBOT-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](CCNC(=O)c1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC001267333419 837846814 /nfs/dbraw/zinc/84/68/14/837846814.db2.gz ZPJQHGWGXZGMLR-UHFFFAOYSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267495377 838179156 /nfs/dbraw/zinc/17/91/56/838179156.db2.gz CARDVVHPXKSKAF-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267495377 838179161 /nfs/dbraw/zinc/17/91/61/838179161.db2.gz CARDVVHPXKSKAF-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267570714 838330424 /nfs/dbraw/zinc/33/04/24/838330424.db2.gz RGUHILHCEPFKBM-DLBZAZTESA-N 2 1 323.481 1.051 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267585858 838369577 /nfs/dbraw/zinc/36/95/77/838369577.db2.gz DZJBBNQRXNHDSI-CQSZACIVSA-N 2 1 320.437 1.706 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267585858 838369581 /nfs/dbraw/zinc/36/95/81/838369581.db2.gz DZJBBNQRXNHDSI-CQSZACIVSA-N 2 1 320.437 1.706 20 30 DDEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001267730344 838769644 /nfs/dbraw/zinc/76/96/44/838769644.db2.gz SDCCKIARTKFEJR-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001267730344 838769650 /nfs/dbraw/zinc/76/96/50/838769650.db2.gz SDCCKIARTKFEJR-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001267730344 838769657 /nfs/dbraw/zinc/76/96/57/838769657.db2.gz SDCCKIARTKFEJR-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001268027149 839432408 /nfs/dbraw/zinc/43/24/08/839432408.db2.gz ZPOFLAPFIJUADI-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268027149 839432413 /nfs/dbraw/zinc/43/24/13/839432413.db2.gz ZPOFLAPFIJUADI-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268027149 839432417 /nfs/dbraw/zinc/43/24/17/839432417.db2.gz ZPOFLAPFIJUADI-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269239474 841404867 /nfs/dbraw/zinc/40/48/67/841404867.db2.gz AEFXQWUIWZPQFJ-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001269601990 841807573 /nfs/dbraw/zinc/80/75/73/841807573.db2.gz QYSHTWIQFNBYLI-MSOLQXFVSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001269951528 842178219 /nfs/dbraw/zinc/17/82/19/842178219.db2.gz YQKPBYIFJLVHPE-UONOGXRCSA-N 2 1 318.421 1.342 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001270263004 842435647 /nfs/dbraw/zinc/43/56/47/842435647.db2.gz BMIGSPDTGMVHDF-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001270274267 842445767 /nfs/dbraw/zinc/44/57/67/842445767.db2.gz VOZUTMRBMUELBM-INIZCTEOSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001270959137 843090910 /nfs/dbraw/zinc/09/09/10/843090910.db2.gz SRWAUZDZMKMZMV-PKOBYXMFSA-N 2 1 317.477 1.570 20 30 DDEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001272152059 844664524 /nfs/dbraw/zinc/66/45/24/844664524.db2.gz NOMLQPLQDZSVSR-SJORKVTESA-N 2 1 323.481 1.147 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272673118 846565079 /nfs/dbraw/zinc/56/50/79/846565079.db2.gz MDRCXFYRJPIOEC-SFHVURJKSA-N 2 1 308.385 1.763 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272673118 846565091 /nfs/dbraw/zinc/56/50/91/846565091.db2.gz MDRCXFYRJPIOEC-SFHVURJKSA-N 2 1 308.385 1.763 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149715529 861843552 /nfs/dbraw/zinc/84/35/52/861843552.db2.gz UCQFDJBIGVDHCJ-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149715529 861843573 /nfs/dbraw/zinc/84/35/73/861843573.db2.gz UCQFDJBIGVDHCJ-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC=C)CC1 ZINC001005518919 848069025 /nfs/dbraw/zinc/06/90/25/848069025.db2.gz NUNOXRGPJALXIM-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC=C)CC1 ZINC001005518919 848069029 /nfs/dbraw/zinc/06/90/29/848069029.db2.gz NUNOXRGPJALXIM-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001005518449 848069071 /nfs/dbraw/zinc/06/90/71/848069071.db2.gz KWPHWAOCGNLAAV-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001005518449 848069078 /nfs/dbraw/zinc/06/90/78/848069078.db2.gz KWPHWAOCGNLAAV-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001155238033 861885092 /nfs/dbraw/zinc/88/50/92/861885092.db2.gz VZRWENHFLDZYON-RHSMWYFYSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001155238033 861885106 /nfs/dbraw/zinc/88/51/06/861885106.db2.gz VZRWENHFLDZYON-RHSMWYFYSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001155238033 861885127 /nfs/dbraw/zinc/88/51/27/861885127.db2.gz VZRWENHFLDZYON-RHSMWYFYSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCNC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273144386 848565757 /nfs/dbraw/zinc/56/57/57/848565757.db2.gz PQJNEIYJNVTEAE-JKSUJKDBSA-N 2 1 303.450 1.180 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001273183391 848648360 /nfs/dbraw/zinc/64/83/60/848648360.db2.gz KGDXENXPLZKPGF-MRXNPFEDSA-N 2 1 324.428 1.728 20 30 DDEDMP Cc1cnc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c(/C=N/O)c1 ZINC001155378435 862013136 /nfs/dbraw/zinc/01/31/36/862013136.db2.gz YXNJHPCOUHGXGN-UZSVJVCZSA-N 2 1 303.410 1.057 20 30 DDEDMP N#Cc1cc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)nc2ccccc12 ZINC001155384463 862021843 /nfs/dbraw/zinc/02/18/43/862021843.db2.gz VIYGTPLCAUBGPB-INIZCTEOSA-N 2 1 321.428 1.966 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)O2 ZINC001273669138 851204475 /nfs/dbraw/zinc/20/44/75/851204475.db2.gz NRMNIVKTFHZALK-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C[NH+](C)CCC[N@H+]1CCC[C@@]2(CCN(CCCC#N)C2=O)CC1 ZINC001273711830 851256541 /nfs/dbraw/zinc/25/65/41/851256541.db2.gz KOUTUWCYTKMEGF-SFHVURJKSA-N 2 1 320.481 1.946 20 30 DDEDMP C#CCC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001327639357 862340238 /nfs/dbraw/zinc/34/02/38/862340238.db2.gz QDBWHSUSTMFSAK-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150620347 862362895 /nfs/dbraw/zinc/36/28/95/862362895.db2.gz OBJUASMWDXMSMX-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620347 862362912 /nfs/dbraw/zinc/36/29/12/862362912.db2.gz OBJUASMWDXMSMX-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620347 862362932 /nfs/dbraw/zinc/36/29/32/862362932.db2.gz OBJUASMWDXMSMX-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP COCC[N@H+]1CCC[C@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274981555 852727750 /nfs/dbraw/zinc/72/77/50/852727750.db2.gz MJJMWIUZPPPVFY-SFHVURJKSA-N 2 1 316.449 1.831 20 30 DDEDMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)CCC ZINC001275080377 852790911 /nfs/dbraw/zinc/79/09/11/852790911.db2.gz FGSNHWBVYAYOPO-IEBWSBKVSA-N 2 1 313.445 1.723 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001275115809 852816837 /nfs/dbraw/zinc/81/68/37/852816837.db2.gz RFZUASFGYLHABD-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001275115809 852816841 /nfs/dbraw/zinc/81/68/41/852816841.db2.gz RFZUASFGYLHABD-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001275115809 852816846 /nfs/dbraw/zinc/81/68/46/852816846.db2.gz RFZUASFGYLHABD-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001280710304 853123290 /nfs/dbraw/zinc/12/32/90/853123290.db2.gz QRGZJSWIQBCEKS-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280710304 853123295 /nfs/dbraw/zinc/12/32/95/853123295.db2.gz QRGZJSWIQBCEKS-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280710304 853123299 /nfs/dbraw/zinc/12/32/99/853123299.db2.gz QRGZJSWIQBCEKS-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275779523 853733498 /nfs/dbraw/zinc/73/34/98/853733498.db2.gz FQZOVQZLKCMVCP-JKSUJKDBSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001328098834 862694357 /nfs/dbraw/zinc/69/43/57/862694357.db2.gz QONAHACAYYNSMR-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001328278039 862852132 /nfs/dbraw/zinc/85/21/32/862852132.db2.gz GSWNRONRIQKCMH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001328278039 862852150 /nfs/dbraw/zinc/85/21/50/862852150.db2.gz GSWNRONRIQKCMH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732790 857650755 /nfs/dbraw/zinc/65/07/55/857650755.db2.gz YEDSYYIYXLQYHP-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732790 857650760 /nfs/dbraw/zinc/65/07/60/857650760.db2.gz YEDSYYIYXLQYHP-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732790 857650763 /nfs/dbraw/zinc/65/07/63/857650763.db2.gz YEDSYYIYXLQYHP-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC001072870329 857825678 /nfs/dbraw/zinc/82/56/78/857825678.db2.gz FNXHPGDMQRNOBR-HNNXBMFYSA-N 2 1 314.433 1.556 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072955248 857935565 /nfs/dbraw/zinc/93/55/65/857935565.db2.gz BBZDKRHCDRYGGL-CQSZACIVSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001072955248 857935582 /nfs/dbraw/zinc/93/55/82/857935582.db2.gz BBZDKRHCDRYGGL-CQSZACIVSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073130204 858127360 /nfs/dbraw/zinc/12/73/60/858127360.db2.gz ODJOKTIFUHLKRO-UHFFFAOYSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073462111 858357198 /nfs/dbraw/zinc/35/71/98/858357198.db2.gz MFCUFQZFRVBXJU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073462111 858357199 /nfs/dbraw/zinc/35/71/99/858357199.db2.gz MFCUFQZFRVBXJU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073462111 858357201 /nfs/dbraw/zinc/35/72/01/858357201.db2.gz MFCUFQZFRVBXJU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOc1ccccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001139027098 860257008 /nfs/dbraw/zinc/25/70/08/860257008.db2.gz KHJPDPYSVOWRHZ-UHFFFAOYSA-N 2 1 303.450 1.931 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202946907 860430528 /nfs/dbraw/zinc/43/05/28/860430528.db2.gz DECSTCAOHQDPNU-UHFFFAOYSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001328586436 863089256 /nfs/dbraw/zinc/08/92/56/863089256.db2.gz BTPRXUZNUCFMLR-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001329515466 863706784 /nfs/dbraw/zinc/70/67/84/863706784.db2.gz NFIOATNFRRPFLU-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001329515466 863706791 /nfs/dbraw/zinc/70/67/91/863706791.db2.gz NFIOATNFRRPFLU-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001329515466 863706798 /nfs/dbraw/zinc/70/67/98/863706798.db2.gz NFIOATNFRRPFLU-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329623259 863756887 /nfs/dbraw/zinc/75/68/87/863756887.db2.gz IVZIHURJCRFKCS-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001381433348 881753901 /nfs/dbraw/zinc/75/39/01/881753901.db2.gz CHRKDNKTFHPNIK-LSDHHAIUSA-N 2 1 316.449 1.883 20 30 DDEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001330655187 864513720 /nfs/dbraw/zinc/51/37/20/864513720.db2.gz CWFWGATXXHRJFP-JYJNAYRXSA-N 2 1 314.433 1.262 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419025 864640848 /nfs/dbraw/zinc/64/08/48/864640848.db2.gz GQAQPGSCHVJEQK-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001331029093 864786822 /nfs/dbraw/zinc/78/68/22/864786822.db2.gz MTTHZSNTQNIOHG-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001331029093 864786828 /nfs/dbraw/zinc/78/68/28/864786828.db2.gz MTTHZSNTQNIOHG-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001331029093 864786830 /nfs/dbraw/zinc/78/68/30/864786830.db2.gz MTTHZSNTQNIOHG-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001332114949 865587541 /nfs/dbraw/zinc/58/75/41/865587541.db2.gz ZXSLNHVNUYLFSE-MAUKXSAKSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001319710159 866239456 /nfs/dbraw/zinc/23/94/56/866239456.db2.gz SAITZWANQFNQQD-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001320149743 866515669 /nfs/dbraw/zinc/51/56/69/866515669.db2.gz YELYMJMQUBMEPN-ZFWWWQNUSA-N 2 1 320.437 1.800 20 30 DDEDMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001323669713 866759617 /nfs/dbraw/zinc/75/96/17/866759617.db2.gz KJQKIDKSSVSNMX-ALOPSCKCSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001324092153 867062556 /nfs/dbraw/zinc/06/25/56/867062556.db2.gz YXHCVAWJMJMZQK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001324705075 867462884 /nfs/dbraw/zinc/46/28/84/867462884.db2.gz BFVFSSBMAYBKDT-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001324705075 867462888 /nfs/dbraw/zinc/46/28/88/867462888.db2.gz BFVFSSBMAYBKDT-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001322230753 868066587 /nfs/dbraw/zinc/06/65/87/868066587.db2.gz NIBKIIRERZDAQA-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001322230753 868066603 /nfs/dbraw/zinc/06/66/03/868066603.db2.gz NIBKIIRERZDAQA-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163822091 868736986 /nfs/dbraw/zinc/73/69/86/868736986.db2.gz RYNDDSFMEYHQHI-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001317449532 870857898 /nfs/dbraw/zinc/85/78/98/870857898.db2.gz CVBDJKMRTLOWHT-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001317449532 870857907 /nfs/dbraw/zinc/85/79/07/870857907.db2.gz CVBDJKMRTLOWHT-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CC2(CCC2)C1 ZINC001317449532 870857915 /nfs/dbraw/zinc/85/79/15/870857915.db2.gz CVBDJKMRTLOWHT-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CC2(CCC2)C1 ZINC001317449532 870857925 /nfs/dbraw/zinc/85/79/25/870857925.db2.gz CVBDJKMRTLOWHT-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001340089933 870888886 /nfs/dbraw/zinc/88/88/86/870888886.db2.gz HTKJEEXLAGLTBJ-XHSDSOJGSA-N 2 1 309.454 1.430 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC001340154799 870925775 /nfs/dbraw/zinc/92/57/75/870925775.db2.gz LFLQIECSMGFSET-UHFFFAOYSA-N 2 1 303.406 1.569 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317508278 870950648 /nfs/dbraw/zinc/95/06/48/870950648.db2.gz HTAHUVFXNGJJFD-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317508278 870950655 /nfs/dbraw/zinc/95/06/55/870950655.db2.gz HTAHUVFXNGJJFD-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317508278 870950663 /nfs/dbraw/zinc/95/06/63/870950663.db2.gz HTAHUVFXNGJJFD-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284225 871484117 /nfs/dbraw/zinc/48/41/17/871484117.db2.gz KKOQXOKMPPUTRB-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001341382873 871631688 /nfs/dbraw/zinc/63/16/88/871631688.db2.gz KLCPQMBFGVUAOW-IAGOWNOFSA-N 2 1 322.497 1.297 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001341382873 871631699 /nfs/dbraw/zinc/63/16/99/871631699.db2.gz KLCPQMBFGVUAOW-IAGOWNOFSA-N 2 1 322.497 1.297 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001206031819 872003234 /nfs/dbraw/zinc/00/32/34/872003234.db2.gz XHJCQWGQLHXFFM-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001206943472 872820639 /nfs/dbraw/zinc/82/06/39/872820639.db2.gz SKHHZPXQFWDRDM-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206943472 872820649 /nfs/dbraw/zinc/82/06/49/872820649.db2.gz SKHHZPXQFWDRDM-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(OC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001345673342 873471633 /nfs/dbraw/zinc/47/16/33/873471633.db2.gz MBFNISMFVQCPJH-UHFFFAOYSA-N 2 1 310.357 1.522 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331399 874020389 /nfs/dbraw/zinc/02/03/89/874020389.db2.gz ROWHDTQCFSFZHP-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209565625 874976358 /nfs/dbraw/zinc/97/63/58/874976358.db2.gz DQFDMFMDIBAGLN-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209565625 874976371 /nfs/dbraw/zinc/97/63/71/874976371.db2.gz DQFDMFMDIBAGLN-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211377292 875779509 /nfs/dbraw/zinc/77/95/09/875779509.db2.gz WETANMJTWZXGCK-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001378970379 876035899 /nfs/dbraw/zinc/03/58/99/876035899.db2.gz VBAHYAJBDWXEEK-KBPBESRZSA-N 2 1 301.862 1.954 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001276712642 876393127 /nfs/dbraw/zinc/39/31/27/876393127.db2.gz YUGXAZJBMYGPTI-MSOLQXFVSA-N 2 1 313.445 1.797 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1nc(C)cs1 ZINC000303970758 876473112 /nfs/dbraw/zinc/47/31/12/876473112.db2.gz CULQIILMKBVMBA-ZDUSSCGKSA-N 2 1 309.483 1.773 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001215162155 876593082 /nfs/dbraw/zinc/59/30/82/876593082.db2.gz MGDKCUZHDCIUNR-GDBMZVCRSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217932455 877356077 /nfs/dbraw/zinc/35/60/77/877356077.db2.gz JBSDZLNFHRYMPZ-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217932455 877356082 /nfs/dbraw/zinc/35/60/82/877356082.db2.gz JBSDZLNFHRYMPZ-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217932455 877356090 /nfs/dbraw/zinc/35/60/90/877356090.db2.gz JBSDZLNFHRYMPZ-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP N#Cc1c2c(sc1NC(=O)[C@@H]([NH3+])c1cccnc1)C[NH2+]CC2 ZINC001218551407 877560081 /nfs/dbraw/zinc/56/00/81/877560081.db2.gz NENSVCCVCRDZOY-ZDUSSCGKSA-N 2 1 313.386 1.299 20 30 DDEDMP N#Cc1c(NC(=O)c2coc3c2C[NH2+]C3)sc2c1CC[NH2+]C2 ZINC001218556179 877564737 /nfs/dbraw/zinc/56/47/37/877564737.db2.gz QZBIUNPNAIYCRT-UHFFFAOYSA-N 2 1 314.370 1.714 20 30 DDEDMP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001380131111 878855564 /nfs/dbraw/zinc/85/55/64/878855564.db2.gz JPGNFLDISZRQQT-UHFFFAOYSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740459 879221213 /nfs/dbraw/zinc/22/12/13/879221213.db2.gz JGCQAYTTXPHTED-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001380352807 879427240 /nfs/dbraw/zinc/42/72/40/879427240.db2.gz HEFASASBVFNGFU-SFHVURJKSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046664 880199223 /nfs/dbraw/zinc/19/92/23/880199223.db2.gz PITVAASGJQKASG-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC001277403685 884079295 /nfs/dbraw/zinc/07/92/95/884079295.db2.gz LWDZWRCKHHLLTH-RDTXFTJFSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC001277403685 884079310 /nfs/dbraw/zinc/07/93/10/884079310.db2.gz LWDZWRCKHHLLTH-RDTXFTJFSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C/C=C/Cl)CC1 ZINC001277403685 884079323 /nfs/dbraw/zinc/07/93/23/884079323.db2.gz LWDZWRCKHHLLTH-RDTXFTJFSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C/C=C/Cl)CC1 ZINC001277403685 884079341 /nfs/dbraw/zinc/07/93/41/884079341.db2.gz LWDZWRCKHHLLTH-RDTXFTJFSA-N 2 1 323.868 1.759 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284387 884409201 /nfs/dbraw/zinc/40/92/01/884409201.db2.gz CATNVWJNBVKTHP-HZPDHXFCSA-N 2 1 311.470 1.546 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001277496412 885374661 /nfs/dbraw/zinc/37/46/61/885374661.db2.gz VDORSFRARQSZCB-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001277501696 885442590 /nfs/dbraw/zinc/44/25/90/885442590.db2.gz UUSBLLLSTRVCQZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001277501696 885442598 /nfs/dbraw/zinc/44/25/98/885442598.db2.gz UUSBLLLSTRVCQZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001277501696 885442604 /nfs/dbraw/zinc/44/26/04/885442604.db2.gz UUSBLLLSTRVCQZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277684727 886479877 /nfs/dbraw/zinc/47/98/77/886479877.db2.gz OKDUAFSEWJNMNL-WBVHZDCISA-N 2 1 314.433 1.214 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339766 888569051 /nfs/dbraw/zinc/56/90/51/888569051.db2.gz YNSAIETZIAXYKC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339766 888569065 /nfs/dbraw/zinc/56/90/65/888569065.db2.gz YNSAIETZIAXYKC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001235339766 888569072 /nfs/dbraw/zinc/56/90/72/888569072.db2.gz YNSAIETZIAXYKC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235339766 888569081 /nfs/dbraw/zinc/56/90/81/888569081.db2.gz YNSAIETZIAXYKC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH+](CCC#N)C[C@H]3CC2)cc1C#N ZINC001277938665 888571794 /nfs/dbraw/zinc/57/17/94/888571794.db2.gz CXNLXHJVVZBXNY-CALCHBBNSA-N 2 1 311.433 1.954 20 30 DDEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@@H+](CCC#N)C[C@H]3CC2)cc1C#N ZINC001277938665 888571804 /nfs/dbraw/zinc/57/18/04/888571804.db2.gz CXNLXHJVVZBXNY-CALCHBBNSA-N 2 1 311.433 1.954 20 30 DDEDMP Cn1cc(C[NH+]2CC[C@H]3C[N@H+](CCC#N)C[C@H]3CC2)cc1C#N ZINC001277938665 888571811 /nfs/dbraw/zinc/57/18/11/888571811.db2.gz CXNLXHJVVZBXNY-CALCHBBNSA-N 2 1 311.433 1.954 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354263 888583923 /nfs/dbraw/zinc/58/39/23/888583923.db2.gz LBCVRUAKYGQTSP-CVEARBPZSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354263 888583929 /nfs/dbraw/zinc/58/39/29/888583929.db2.gz LBCVRUAKYGQTSP-CVEARBPZSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)OC ZINC001236157287 889121188 /nfs/dbraw/zinc/12/11/88/889121188.db2.gz DICGHDIWKQYQFA-QGZVFWFLSA-N 2 1 317.433 1.121 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(=O)OC ZINC001236157287 889121194 /nfs/dbraw/zinc/12/11/94/889121194.db2.gz DICGHDIWKQYQFA-QGZVFWFLSA-N 2 1 317.433 1.121 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001365973242 892095893 /nfs/dbraw/zinc/09/58/93/892095893.db2.gz FSOPKEGCGSHTIM-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001365973242 892095913 /nfs/dbraw/zinc/09/59/13/892095913.db2.gz FSOPKEGCGSHTIM-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001365982827 892124305 /nfs/dbraw/zinc/12/43/05/892124305.db2.gz LBNATPLIVVHVFQ-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001365982827 892124313 /nfs/dbraw/zinc/12/43/13/892124313.db2.gz LBNATPLIVVHVFQ-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP CCCCCCC[C@H](C)[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001246100272 892414123 /nfs/dbraw/zinc/41/41/23/892414123.db2.gz MFCNBFFMGSGMJO-HNNXBMFYSA-N 2 1 319.515 1.560 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001278653955 895041782 /nfs/dbraw/zinc/04/17/82/895041782.db2.gz QCLZJQYXHKWPMO-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001278653955 895041800 /nfs/dbraw/zinc/04/18/00/895041800.db2.gz QCLZJQYXHKWPMO-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278653955 895041821 /nfs/dbraw/zinc/04/18/21/895041821.db2.gz QCLZJQYXHKWPMO-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278653955 895041840 /nfs/dbraw/zinc/04/18/40/895041840.db2.gz QCLZJQYXHKWPMO-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252463036 895172978 /nfs/dbraw/zinc/17/29/78/895172978.db2.gz KZKAMSLHFDGUTJ-HRCADAONSA-N 2 1 322.474 1.675 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001278752333 896187994 /nfs/dbraw/zinc/18/79/94/896187994.db2.gz CXXLAQDMKWHUII-ZDUSSCGKSA-N 2 1 301.381 1.342 20 30 DDEDMP C=CCCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001278798672 896534434 /nfs/dbraw/zinc/53/44/34/896534434.db2.gz RSIQBKLAXBWUOD-HRCADAONSA-N 2 1 311.470 1.092 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCC)CC[NH+](CC)CC)C1 ZINC001255364920 896865296 /nfs/dbraw/zinc/86/52/96/896865296.db2.gz TXYBTAVCCAHHPE-QGZVFWFLSA-N 2 1 322.497 1.847 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCC)CC[NH+](CC)CC)C1 ZINC001255364920 896865308 /nfs/dbraw/zinc/86/53/08/896865308.db2.gz TXYBTAVCCAHHPE-QGZVFWFLSA-N 2 1 322.497 1.847 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001264054491 900896588 /nfs/dbraw/zinc/89/65/88/900896588.db2.gz PXVSHYDGUCKTGA-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001369301866 901015377 /nfs/dbraw/zinc/01/53/77/901015377.db2.gz BFMVZPHSYCSVPU-OAHLLOKOSA-N 2 1 316.449 1.835 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001265704144 902317480 /nfs/dbraw/zinc/31/74/80/902317480.db2.gz ZHRGSNZTLSBXRW-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001265704144 902317490 /nfs/dbraw/zinc/31/74/90/902317490.db2.gz ZHRGSNZTLSBXRW-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265704144 902317506 /nfs/dbraw/zinc/31/75/06/902317506.db2.gz ZHRGSNZTLSBXRW-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC/C=C\CC)C1 ZINC001265987123 902714277 /nfs/dbraw/zinc/71/42/77/902714277.db2.gz UFUGHKBDXHBNHF-WIJVFFIESA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC/C=C\CC)C1 ZINC001265987123 902714285 /nfs/dbraw/zinc/71/42/85/902714285.db2.gz UFUGHKBDXHBNHF-WIJVFFIESA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266059577 902861679 /nfs/dbraw/zinc/86/16/79/902861679.db2.gz KTXFBTNYCHVRMU-KGLIPLIRSA-N 2 1 318.421 1.390 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266223011 903142133 /nfs/dbraw/zinc/14/21/33/903142133.db2.gz HWDISHRLLCFQLF-QGZVFWFLSA-N 2 1 317.477 1.856 20 30 DDEDMP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC#CCOC)[NH+](C)C ZINC001279589295 903341176 /nfs/dbraw/zinc/34/11/76/903341176.db2.gz XJBFKFVMWPSXDY-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001371474750 905057816 /nfs/dbraw/zinc/05/78/16/905057816.db2.gz QUNKNQKJJJBQOP-ZDUSSCGKSA-N 2 1 311.389 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001281980793 905385816 /nfs/dbraw/zinc/38/58/16/905385816.db2.gz LHPLGMCRGQEEGB-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001377975524 923564503 /nfs/dbraw/zinc/56/45/03/923564503.db2.gz YBXKIQWAPDYVFP-ZDUSSCGKSA-N 2 1 301.862 1.765 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000068085007 353086915 /nfs/dbraw/zinc/08/69/15/353086915.db2.gz OANBAHWNFVVIOO-KRWDZBQOSA-N 2 1 319.493 1.960 20 30 DDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318297 357890532 /nfs/dbraw/zinc/89/05/32/357890532.db2.gz WONPXMHHMZMOFX-HZPDHXFCSA-N 2 1 309.454 1.331 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318297 357890538 /nfs/dbraw/zinc/89/05/38/357890538.db2.gz WONPXMHHMZMOFX-HZPDHXFCSA-N 2 1 309.454 1.331 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318297 357890540 /nfs/dbraw/zinc/89/05/40/357890540.db2.gz WONPXMHHMZMOFX-HZPDHXFCSA-N 2 1 309.454 1.331 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC000600718150 358294609 /nfs/dbraw/zinc/29/46/09/358294609.db2.gz VUZYKXMYBUMDRC-HRCADAONSA-N 2 1 307.438 1.274 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCOCC1 ZINC000600718150 358294612 /nfs/dbraw/zinc/29/46/12/358294612.db2.gz VUZYKXMYBUMDRC-HRCADAONSA-N 2 1 307.438 1.274 20 30 DDEDMP C[C@H](CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C[NH+]1CCCC1 ZINC000329924357 223047994 /nfs/dbraw/zinc/04/79/94/223047994.db2.gz UYFRBUMAZADKHL-CABCVRRESA-N 2 1 319.453 1.681 20 30 DDEDMP N#CCCn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccncc2)n1 ZINC000619071010 363883839 /nfs/dbraw/zinc/88/38/39/363883839.db2.gz OQCWHOPDANLBPV-IYBDPMFKSA-N 2 1 322.416 1.510 20 30 DDEDMP N#CCCn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccncc2)n1 ZINC000619071010 363883841 /nfs/dbraw/zinc/88/38/41/363883841.db2.gz OQCWHOPDANLBPV-IYBDPMFKSA-N 2 1 322.416 1.510 20 30 DDEDMP N#Cc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000105475260 194106703 /nfs/dbraw/zinc/10/67/03/194106703.db2.gz PSBLCCFPCGBZEB-MRXNPFEDSA-N 2 1 300.406 1.235 20 30 DDEDMP N#Cc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000105475260 194106707 /nfs/dbraw/zinc/10/67/07/194106707.db2.gz PSBLCCFPCGBZEB-MRXNPFEDSA-N 2 1 300.406 1.235 20 30 DDEDMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567888384 304252255 /nfs/dbraw/zinc/25/22/55/304252255.db2.gz CUVFHEAZVJOXOO-UHFFFAOYSA-N 2 1 309.377 1.676 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(C)c1 ZINC000268988609 408223258 /nfs/dbraw/zinc/22/32/58/408223258.db2.gz UDLJYHGIRHDBGD-JKSUJKDBSA-N 2 1 304.438 1.417 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227157 409734632 /nfs/dbraw/zinc/73/46/32/409734632.db2.gz ZLEGWPXUIXSGKS-HOTGVXAUSA-N 2 1 319.453 1.447 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000355395565 410492269 /nfs/dbraw/zinc/49/22/69/410492269.db2.gz DTICAFCJKBCTJM-HNNXBMFYSA-N 2 1 308.470 1.763 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCCO1 ZINC000261712906 222255390 /nfs/dbraw/zinc/25/53/90/222255390.db2.gz DVMSEYBTZDWJAU-INIZCTEOSA-N 2 1 302.422 1.128 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@@H]1CCCO1 ZINC000261712906 222255392 /nfs/dbraw/zinc/25/53/92/222255392.db2.gz DVMSEYBTZDWJAU-INIZCTEOSA-N 2 1 302.422 1.128 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(c2cccs2)CC1 ZINC000261856304 222260257 /nfs/dbraw/zinc/26/02/57/222260257.db2.gz YRMCTWXZBKSIKH-CQSZACIVSA-N 2 1 321.494 1.397 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261990033 222268338 /nfs/dbraw/zinc/26/83/38/222268338.db2.gz RBOOLGFILLQHBU-XJKSGUPXSA-N 2 1 301.438 1.538 20 30 DDEDMP C=CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCc1ccccc1 ZINC000262263201 222274420 /nfs/dbraw/zinc/27/44/20/222274420.db2.gz XTHJVKDAEQPHSZ-UHFFFAOYSA-N 2 1 301.434 1.539 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)N1 ZINC000262673097 222288980 /nfs/dbraw/zinc/28/89/80/222288980.db2.gz SBEKVSBFYVOWFY-CQSZACIVSA-N 2 1 308.470 1.737 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)N1 ZINC000262673097 222288981 /nfs/dbraw/zinc/28/89/81/222288981.db2.gz SBEKVSBFYVOWFY-CQSZACIVSA-N 2 1 308.470 1.737 20 30 DDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262764778 222292691 /nfs/dbraw/zinc/29/26/91/222292691.db2.gz FRIHLNWBCBXPSG-HOCLYGCPSA-N 2 1 308.470 1.329 20 30 DDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262764778 222292693 /nfs/dbraw/zinc/29/26/93/222292693.db2.gz FRIHLNWBCBXPSG-HOCLYGCPSA-N 2 1 308.470 1.329 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000264057981 222311329 /nfs/dbraw/zinc/31/13/29/222311329.db2.gz BPYNATUNZUANSW-ZDUSSCGKSA-N 2 1 305.382 1.483 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC1 ZINC000264070555 222312663 /nfs/dbraw/zinc/31/26/63/222312663.db2.gz RUEAPJIWTRZCOT-INIZCTEOSA-N 2 1 300.450 1.878 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375808917 418688683 /nfs/dbraw/zinc/68/86/83/418688683.db2.gz DPAUMBWDELBMNX-HUUCEWRRSA-N 2 1 302.422 1.781 20 30 DDEDMP C#CCNC(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375808917 418688685 /nfs/dbraw/zinc/68/86/85/418688685.db2.gz DPAUMBWDELBMNX-HUUCEWRRSA-N 2 1 302.422 1.781 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000376736746 418700745 /nfs/dbraw/zinc/70/07/45/418700745.db2.gz UADSLAMDQDRAKF-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000376736746 418700747 /nfs/dbraw/zinc/70/07/47/418700747.db2.gz UADSLAMDQDRAKF-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000491339980 421196513 /nfs/dbraw/zinc/19/65/13/421196513.db2.gz UPAOXFCCZJMUDB-OAHLLOKOSA-N 2 1 301.434 1.994 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000491339980 421196515 /nfs/dbraw/zinc/19/65/15/421196515.db2.gz UPAOXFCCZJMUDB-OAHLLOKOSA-N 2 1 301.434 1.994 20 30 DDEDMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000570624593 421658182 /nfs/dbraw/zinc/65/81/82/421658182.db2.gz JSPNRFODFLBULA-XBMUEBEBSA-N 2 1 312.461 1.884 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000641782335 423974463 /nfs/dbraw/zinc/97/44/63/423974463.db2.gz CDZDFTYNQLSAAO-UHFFFAOYSA-N 2 1 308.470 1.763 20 30 DDEDMP C=CC[C@@]1(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CCC[NH2+]1 ZINC000662815254 424777267 /nfs/dbraw/zinc/77/72/67/424777267.db2.gz QIRCBQAXDKCAMV-HTWSVDAQSA-N 2 1 320.481 1.017 20 30 DDEDMP C=CC[C@@]1(C(=O)NCC2CCN(CC[NH+](C)C)CC2)CCC[NH2+]1 ZINC000662696325 424738221 /nfs/dbraw/zinc/73/82/21/424738221.db2.gz WZJXNEMEXSFNNX-SFHVURJKSA-N 2 1 322.497 1.075 20 30 DDEDMP CCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264063783 276145395 /nfs/dbraw/zinc/14/53/95/276145395.db2.gz AIAWLBLBMZAZAI-MRXNPFEDSA-N 2 1 303.454 1.289 20 30 DDEDMP CCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000264063783 276145396 /nfs/dbraw/zinc/14/53/96/276145396.db2.gz AIAWLBLBMZAZAI-MRXNPFEDSA-N 2 1 303.454 1.289 20 30 DDEDMP CCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000264063783 276145397 /nfs/dbraw/zinc/14/53/97/276145397.db2.gz AIAWLBLBMZAZAI-MRXNPFEDSA-N 2 1 303.454 1.289 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171714482 337088781 /nfs/dbraw/zinc/08/87/81/337088781.db2.gz CUHIFULIPUMFGT-UHFFFAOYSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000171714482 337088782 /nfs/dbraw/zinc/08/87/82/337088782.db2.gz CUHIFULIPUMFGT-UHFFFAOYSA-N 2 1 301.434 1.885 20 30 DDEDMP CC#CCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000681538575 486449323 /nfs/dbraw/zinc/44/93/23/486449323.db2.gz BAQLAEZSOPOCCP-MRXNPFEDSA-N 2 1 308.470 1.457 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424131589 533795231 /nfs/dbraw/zinc/79/52/31/533795231.db2.gz JCMGUYFLTOPEHK-OWCLPIDISA-N 2 1 308.470 1.882 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000746197326 700010664 /nfs/dbraw/zinc/01/06/64/700010664.db2.gz NZZMCYFHJNXNHV-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000746197326 700010666 /nfs/dbraw/zinc/01/06/66/700010666.db2.gz NZZMCYFHJNXNHV-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000746197326 700010668 /nfs/dbraw/zinc/01/06/68/700010668.db2.gz NZZMCYFHJNXNHV-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000746197326 700010670 /nfs/dbraw/zinc/01/06/70/700010670.db2.gz NZZMCYFHJNXNHV-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974657512 695705705 /nfs/dbraw/zinc/70/57/05/695705705.db2.gz OUIPHNAIQAINAO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974657512 695705706 /nfs/dbraw/zinc/70/57/06/695705706.db2.gz OUIPHNAIQAINAO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974657512 695705707 /nfs/dbraw/zinc/70/57/07/695705707.db2.gz OUIPHNAIQAINAO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974674699 695709743 /nfs/dbraw/zinc/70/97/43/695709743.db2.gz ROZYNZVYALSMRQ-LSDHHAIUSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974674699 695709745 /nfs/dbraw/zinc/70/97/45/695709745.db2.gz ROZYNZVYALSMRQ-LSDHHAIUSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000746648264 700034984 /nfs/dbraw/zinc/03/49/84/700034984.db2.gz LYYWMPJYVYOOIU-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000746648264 700034985 /nfs/dbraw/zinc/03/49/85/700034985.db2.gz LYYWMPJYVYOOIU-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978424073 696380405 /nfs/dbraw/zinc/38/04/05/696380405.db2.gz GLOKWDCQANJGHL-OSYLJGHBSA-N 2 1 308.385 1.265 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980154146 696695043 /nfs/dbraw/zinc/69/50/43/696695043.db2.gz ZKBJJNWLEQVKNZ-XHSDSOJGSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980154146 696695044 /nfs/dbraw/zinc/69/50/44/696695044.db2.gz ZKBJJNWLEQVKNZ-XHSDSOJGSA-N 2 1 302.422 1.594 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2c(cccc2C)[nH]1 ZINC000120455124 696695534 /nfs/dbraw/zinc/69/55/34/696695534.db2.gz ALZJRRFDGNMTSX-ZDUSSCGKSA-N 2 1 314.437 1.760 20 30 DDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2cccc(C)c2[nH]1 ZINC000120455124 696695536 /nfs/dbraw/zinc/69/55/36/696695536.db2.gz ALZJRRFDGNMTSX-ZDUSSCGKSA-N 2 1 314.437 1.760 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764739 696907076 /nfs/dbraw/zinc/90/70/76/696907076.db2.gz AYXBYKZQUUQMKY-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764739 696907080 /nfs/dbraw/zinc/90/70/80/696907080.db2.gz AYXBYKZQUUQMKY-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764739 696907082 /nfs/dbraw/zinc/90/70/82/696907082.db2.gz AYXBYKZQUUQMKY-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822466 696931963 /nfs/dbraw/zinc/93/19/63/696931963.db2.gz LCJQJFIVRKCDEW-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822466 696931965 /nfs/dbraw/zinc/93/19/65/696931965.db2.gz LCJQJFIVRKCDEW-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822466 696931967 /nfs/dbraw/zinc/93/19/67/696931967.db2.gz LCJQJFIVRKCDEW-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848046 696941096 /nfs/dbraw/zinc/94/10/96/696941096.db2.gz HUDDABDESTZEMA-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981848046 696941098 /nfs/dbraw/zinc/94/10/98/696941098.db2.gz HUDDABDESTZEMA-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981848046 696941100 /nfs/dbraw/zinc/94/11/00/696941100.db2.gz HUDDABDESTZEMA-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981872313 696949382 /nfs/dbraw/zinc/94/93/82/696949382.db2.gz QCVGTULVGDNXQW-UHFFFAOYSA-N 2 1 322.412 1.896 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981915147 696967286 /nfs/dbraw/zinc/96/72/86/696967286.db2.gz WUOYNKGQOXAPEM-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981183921 697028454 /nfs/dbraw/zinc/02/84/54/697028454.db2.gz HPUCVSNFENMYTI-KBPBESRZSA-N 2 1 320.437 1.943 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981209974 697035455 /nfs/dbraw/zinc/03/54/55/697035455.db2.gz MZZNMLCBVSXFMM-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981209974 697035456 /nfs/dbraw/zinc/03/54/56/697035456.db2.gz MZZNMLCBVSXFMM-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981209974 697035457 /nfs/dbraw/zinc/03/54/57/697035457.db2.gz MZZNMLCBVSXFMM-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982160688 697045610 /nfs/dbraw/zinc/04/56/10/697045610.db2.gz BLMRLLZBWKPTET-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982160688 697045613 /nfs/dbraw/zinc/04/56/13/697045613.db2.gz BLMRLLZBWKPTET-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982160688 697045614 /nfs/dbraw/zinc/04/56/14/697045614.db2.gz BLMRLLZBWKPTET-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331626 697067947 /nfs/dbraw/zinc/06/79/47/697067947.db2.gz NTAZAWDUZKQEPA-OAHLLOKOSA-N 2 1 300.406 1.318 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331626 697067950 /nfs/dbraw/zinc/06/79/50/697067950.db2.gz NTAZAWDUZKQEPA-OAHLLOKOSA-N 2 1 300.406 1.318 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(C)C)CC1 ZINC000985472961 697516885 /nfs/dbraw/zinc/51/68/85/697516885.db2.gz CFGSZLMAQWHHBJ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC(C)C)CC1 ZINC000985472961 697516886 /nfs/dbraw/zinc/51/68/86/697516886.db2.gz CFGSZLMAQWHHBJ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(C)C)CC1 ZINC000985472961 697516888 /nfs/dbraw/zinc/51/68/88/697516888.db2.gz CFGSZLMAQWHHBJ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(C)C)CC1 ZINC000985472961 697516889 /nfs/dbraw/zinc/51/68/89/697516889.db2.gz CFGSZLMAQWHHBJ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CC2)CC1 ZINC000985477065 697517162 /nfs/dbraw/zinc/51/71/62/697517162.db2.gz ZKQJUBCDPGHIQY-KRWDZBQOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CC2)CC1 ZINC000985477065 697517164 /nfs/dbraw/zinc/51/71/64/697517164.db2.gz ZKQJUBCDPGHIQY-KRWDZBQOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CC2)CC1 ZINC000985477065 697517167 /nfs/dbraw/zinc/51/71/67/697517167.db2.gz ZKQJUBCDPGHIQY-KRWDZBQOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CC2)CC1 ZINC000985477065 697517169 /nfs/dbraw/zinc/51/71/69/697517169.db2.gz ZKQJUBCDPGHIQY-KRWDZBQOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn2ccccc2n1 ZINC000303785467 698606734 /nfs/dbraw/zinc/60/67/34/698606734.db2.gz QLVJKEANYGAPDN-OAHLLOKOSA-N 2 1 314.437 1.265 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)nc1 ZINC000303907966 698611155 /nfs/dbraw/zinc/61/11/55/698611155.db2.gz XGXSNMMWJXDRBP-OAHLLOKOSA-N 2 1 319.453 1.757 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(F)ccc1F ZINC000304504037 698621680 /nfs/dbraw/zinc/62/16/80/698621680.db2.gz QHEZURBFTRWIKT-AWEZNQCLSA-N 2 1 310.392 1.896 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H](OC)C1(CC)CC ZINC000305061229 698629535 /nfs/dbraw/zinc/62/95/35/698629535.db2.gz GFTJGSAOBDOZIC-QLFBSQMISA-N 2 1 310.486 1.969 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305839801 698658601 /nfs/dbraw/zinc/65/86/01/698658601.db2.gz YQCYKZVSPJBQCV-JKSUJKDBSA-N 3 1 309.502 1.640 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990761182 699152566 /nfs/dbraw/zinc/15/25/66/699152566.db2.gz IBSMPYPTDGFIPW-DODZYUBVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990761182 699152568 /nfs/dbraw/zinc/15/25/68/699152568.db2.gz IBSMPYPTDGFIPW-DODZYUBVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990761182 699152569 /nfs/dbraw/zinc/15/25/69/699152569.db2.gz IBSMPYPTDGFIPW-DODZYUBVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990761187 699152811 /nfs/dbraw/zinc/15/28/11/699152811.db2.gz IBSMPYPTDGFIPW-MJQMVNBJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990761187 699152813 /nfs/dbraw/zinc/15/28/13/699152813.db2.gz IBSMPYPTDGFIPW-MJQMVNBJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990761187 699152814 /nfs/dbraw/zinc/15/28/14/699152814.db2.gz IBSMPYPTDGFIPW-MJQMVNBJSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841910943 702615986 /nfs/dbraw/zinc/61/59/86/702615986.db2.gz VRFUGDBQCRWLMP-SJORKVTESA-N 2 1 320.481 1.363 20 30 DDEDMP C[N@@H+](CCCNC(=O)C#CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000852855602 704149707 /nfs/dbraw/zinc/14/97/07/704149707.db2.gz KDFFCBHCYJWUPK-UHFFFAOYSA-N 2 1 313.445 1.628 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000856416883 704527929 /nfs/dbraw/zinc/52/79/29/704527929.db2.gz ZOYDFZWQLLJZND-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000856416883 704527930 /nfs/dbraw/zinc/52/79/30/704527930.db2.gz ZOYDFZWQLLJZND-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP Cc1nccnc1[C@@H](C)NCC#CC[NH2+][C@H](C)c1nccnc1C ZINC000880109235 706880172 /nfs/dbraw/zinc/88/01/72/706880172.db2.gz UFYAKEJDKSXUAH-ZIAGYGMSSA-N 2 1 324.432 1.888 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000884140578 708157522 /nfs/dbraw/zinc/15/75/22/708157522.db2.gz XVEOSBFWOYPOJH-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000884140578 708157524 /nfs/dbraw/zinc/15/75/24/708157524.db2.gz XVEOSBFWOYPOJH-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000884140578 708157525 /nfs/dbraw/zinc/15/75/25/708157525.db2.gz XVEOSBFWOYPOJH-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000884140578 708157526 /nfs/dbraw/zinc/15/75/26/708157526.db2.gz XVEOSBFWOYPOJH-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000884204619 708188732 /nfs/dbraw/zinc/18/87/32/708188732.db2.gz ZXMVMHVLWRQMDU-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000884204619 708188734 /nfs/dbraw/zinc/18/87/34/708188734.db2.gz ZXMVMHVLWRQMDU-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000884298572 708232042 /nfs/dbraw/zinc/23/20/42/708232042.db2.gz WIXRUOVDWRLIEG-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000884298572 708232046 /nfs/dbraw/zinc/23/20/46/708232046.db2.gz WIXRUOVDWRLIEG-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000884298572 708232048 /nfs/dbraw/zinc/23/20/48/708232048.db2.gz WIXRUOVDWRLIEG-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000884298572 708232051 /nfs/dbraw/zinc/23/20/51/708232051.db2.gz WIXRUOVDWRLIEG-RDJZCZTQSA-N 2 1 318.465 1.400 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC[C@@H]21 ZINC000884328121 708247211 /nfs/dbraw/zinc/24/72/11/708247211.db2.gz JGOPRDRHHSJKMZ-HCBPCCMXSA-N 2 1 316.449 1.068 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000884424015 708292027 /nfs/dbraw/zinc/29/20/27/708292027.db2.gz LQIPZJQFJHTGSJ-PCKAHOCUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000884424015 708292031 /nfs/dbraw/zinc/29/20/31/708292031.db2.gz LQIPZJQFJHTGSJ-PCKAHOCUSA-N 2 1 306.454 1.256 20 30 DDEDMP C=CCN1CC[C@@H]([NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)C1=O ZINC000886663339 708809266 /nfs/dbraw/zinc/80/92/66/708809266.db2.gz YPNOCNBUIKHRQU-OAHLLOKOSA-N 2 1 302.422 1.993 20 30 DDEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000887133234 708967607 /nfs/dbraw/zinc/96/76/07/708967607.db2.gz WUQXCNBVAPTRAY-HNNXBMFYSA-N 2 1 315.421 1.354 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1=O ZINC000887134068 708967634 /nfs/dbraw/zinc/96/76/34/708967634.db2.gz BHRRSKOPFZVADV-GOEBONIOSA-N 2 1 300.406 1.379 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1=O ZINC000887134068 708967635 /nfs/dbraw/zinc/96/76/35/708967635.db2.gz BHRRSKOPFZVADV-GOEBONIOSA-N 2 1 300.406 1.379 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000901160746 709951539 /nfs/dbraw/zinc/95/15/39/709951539.db2.gz YUYCILMZKMVFHZ-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)C2 ZINC000922391811 714038995 /nfs/dbraw/zinc/03/89/95/714038995.db2.gz ZXHGPMYVERNUHN-RRCSTGOVSA-N 2 1 320.462 1.584 20 30 DDEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)C2 ZINC000922391811 714038998 /nfs/dbraw/zinc/03/89/98/714038998.db2.gz ZXHGPMYVERNUHN-RRCSTGOVSA-N 2 1 320.462 1.584 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC[C@@H]1C[NH3+] ZINC000923492802 714376398 /nfs/dbraw/zinc/37/63/98/714376398.db2.gz OVPNVPLAPMMILE-FMKPAKJESA-N 2 1 303.406 1.215 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925635642 714904828 /nfs/dbraw/zinc/90/48/28/714904828.db2.gz SZWHMCRCDIBXRR-HUUCEWRRSA-N 2 1 300.468 1.345 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517643 715938096 /nfs/dbraw/zinc/93/80/96/715938096.db2.gz ZUOCEAYVNFNFDG-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000960703435 716662057 /nfs/dbraw/zinc/66/20/57/716662057.db2.gz ZBLGECKPVFFPRP-FOLVSLTJSA-N 2 1 318.421 1.362 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC000960703435 716662061 /nfs/dbraw/zinc/66/20/61/716662061.db2.gz ZBLGECKPVFFPRP-FOLVSLTJSA-N 2 1 318.421 1.362 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000961267105 716888749 /nfs/dbraw/zinc/88/87/49/716888749.db2.gz XLHGGUMUVYELPH-GJZGRUSLSA-N 2 1 300.406 1.146 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961339918 716916572 /nfs/dbraw/zinc/91/65/72/716916572.db2.gz FDQUXMLKNZSBCL-FXUDXRNXSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961339918 716916576 /nfs/dbraw/zinc/91/65/76/716916576.db2.gz FDQUXMLKNZSBCL-FXUDXRNXSA-N 2 1 323.868 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC)CC1(C)C ZINC000940811268 716970766 /nfs/dbraw/zinc/97/07/66/716970766.db2.gz FDGGGYZJGHEJQT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC000940811268 716970768 /nfs/dbraw/zinc/97/07/68/716970768.db2.gz FDGGGYZJGHEJQT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)CC1(C)C ZINC000940811268 716970770 /nfs/dbraw/zinc/97/07/70/716970770.db2.gz FDGGGYZJGHEJQT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC)CC1(C)C ZINC000940811268 716970772 /nfs/dbraw/zinc/97/07/72/716970772.db2.gz FDGGGYZJGHEJQT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000965065490 717523859 /nfs/dbraw/zinc/52/38/59/717523859.db2.gz XVZZLRXAGCCTBD-UHFFFAOYSA-N 2 1 305.466 1.921 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942207242 717548739 /nfs/dbraw/zinc/54/87/39/717548739.db2.gz KHJQTQLUSVCKQZ-DZGCQCFKSA-N 2 1 320.437 1.753 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942207242 717548741 /nfs/dbraw/zinc/54/87/41/717548741.db2.gz KHJQTQLUSVCKQZ-DZGCQCFKSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436422 719162663 /nfs/dbraw/zinc/16/26/63/719162663.db2.gz IQINFCDEXZOHAC-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968864380 719830443 /nfs/dbraw/zinc/83/04/43/719830443.db2.gz UXGQQYOKEYHJKR-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968864380 719830449 /nfs/dbraw/zinc/83/04/49/719830449.db2.gz UXGQQYOKEYHJKR-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968864380 719830456 /nfs/dbraw/zinc/83/04/56/719830456.db2.gz UXGQQYOKEYHJKR-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969834343 720525920 /nfs/dbraw/zinc/52/59/20/720525920.db2.gz XYAFWIZDPKWIKN-HOTGVXAUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338975 720718999 /nfs/dbraw/zinc/71/89/99/720718999.db2.gz QDEDDBFKOLMIBE-HIFRSBDPSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640301 735369180 /nfs/dbraw/zinc/36/91/80/735369180.db2.gz CTIQVQOEIJVMQJ-OAHLLOKOSA-N 2 1 319.453 1.073 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972627303 735375905 /nfs/dbraw/zinc/37/59/05/735375905.db2.gz FAFNVFVHEBANSO-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498678 736365263 /nfs/dbraw/zinc/36/52/63/736365263.db2.gz LOAHRFARQYDZDE-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498678 736365266 /nfs/dbraw/zinc/36/52/66/736365266.db2.gz LOAHRFARQYDZDE-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498678 736365270 /nfs/dbraw/zinc/36/52/70/736365270.db2.gz LOAHRFARQYDZDE-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498678 736365273 /nfs/dbraw/zinc/36/52/73/736365273.db2.gz LOAHRFARQYDZDE-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001020593916 732545451 /nfs/dbraw/zinc/54/54/51/732545451.db2.gz CAQKPOPVLPJPBJ-JOCQHMNTSA-N 2 1 304.394 1.307 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001039165714 732990339 /nfs/dbraw/zinc/99/03/39/732990339.db2.gz RMMNMVQNJDMXJD-SJLPKXTDSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021644239 733397913 /nfs/dbraw/zinc/39/79/13/733397913.db2.gz FKSCOEZDIQXWFY-HZPDHXFCSA-N 2 1 302.422 1.772 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167426094 733448627 /nfs/dbraw/zinc/44/86/27/733448627.db2.gz PTRNPVCSJVDKSB-SJORKVTESA-N 2 1 317.477 1.903 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716108 733479914 /nfs/dbraw/zinc/47/99/14/733479914.db2.gz JQALKNDSIZVNJS-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736652 733495946 /nfs/dbraw/zinc/49/59/46/733495946.db2.gz NUINTBZSWHZBJB-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736652 733495949 /nfs/dbraw/zinc/49/59/49/733495949.db2.gz NUINTBZSWHZBJB-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736959 733497186 /nfs/dbraw/zinc/49/71/86/733497186.db2.gz PTHRXAKQSATBOA-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736959 733497188 /nfs/dbraw/zinc/49/71/88/733497188.db2.gz PTHRXAKQSATBOA-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121193526 782403338 /nfs/dbraw/zinc/40/33/38/782403338.db2.gz DNXIDFJUCYUSFT-RFSHTEQGSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC000972339825 734797232 /nfs/dbraw/zinc/79/72/32/734797232.db2.gz OTPRQRZVZOOKRT-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339825 734797235 /nfs/dbraw/zinc/79/72/35/734797235.db2.gz OTPRQRZVZOOKRT-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339825 734797239 /nfs/dbraw/zinc/79/72/39/734797239.db2.gz OTPRQRZVZOOKRT-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001023291440 735138184 /nfs/dbraw/zinc/13/81/84/735138184.db2.gz HDPXSPQIHHYCCY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001023291440 735138187 /nfs/dbraw/zinc/13/81/87/735138187.db2.gz HDPXSPQIHHYCCY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291440 735138190 /nfs/dbraw/zinc/13/81/90/735138190.db2.gz HDPXSPQIHHYCCY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001023291440 735138195 /nfs/dbraw/zinc/13/81/95/735138195.db2.gz HDPXSPQIHHYCCY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453889 735245628 /nfs/dbraw/zinc/24/56/28/735245628.db2.gz KCSHJGFSLMRSKM-AWEZNQCLSA-N 2 1 320.437 1.754 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453889 735245632 /nfs/dbraw/zinc/24/56/32/735245632.db2.gz KCSHJGFSLMRSKM-AWEZNQCLSA-N 2 1 320.437 1.754 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448399 735825545 /nfs/dbraw/zinc/82/55/45/735825545.db2.gz MOIMPYGINRHAAU-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448399 735825548 /nfs/dbraw/zinc/82/55/48/735825548.db2.gz MOIMPYGINRHAAU-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448399 735825551 /nfs/dbraw/zinc/82/55/51/735825551.db2.gz MOIMPYGINRHAAU-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438653 735827296 /nfs/dbraw/zinc/82/72/96/735827296.db2.gz UDSHIKMPZFKTBV-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679935 735902612 /nfs/dbraw/zinc/90/26/12/735902612.db2.gz WIDUSYKYJHRSFA-JTTJXQCZSA-N 2 1 323.456 1.707 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001007350558 736313827 /nfs/dbraw/zinc/31/38/27/736313827.db2.gz QVJTYOCRDGBJFQ-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001025817998 736868995 /nfs/dbraw/zinc/86/89/95/736868995.db2.gz KIBMIBDWVOJUKZ-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025817998 736868997 /nfs/dbraw/zinc/86/89/97/736868997.db2.gz KIBMIBDWVOJUKZ-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025817998 736868998 /nfs/dbraw/zinc/86/89/98/736868998.db2.gz KIBMIBDWVOJUKZ-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001019772796 736920593 /nfs/dbraw/zinc/92/05/93/736920593.db2.gz RVBHELYYKAUDEU-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008050767 737365811 /nfs/dbraw/zinc/36/58/11/737365811.db2.gz DHBLIFIGJCPFEW-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036626 738956582 /nfs/dbraw/zinc/95/65/82/738956582.db2.gz FYQOBRUCURKGOF-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036626 738956583 /nfs/dbraw/zinc/95/65/83/738956583.db2.gz FYQOBRUCURKGOF-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]21 ZINC001026368056 737429171 /nfs/dbraw/zinc/42/91/71/737429171.db2.gz MSPFPIPEBMACGH-HRCADAONSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067320 737500364 /nfs/dbraw/zinc/50/03/64/737500364.db2.gz WWVOEQZJRCETAN-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026892749 737942560 /nfs/dbraw/zinc/94/25/60/737942560.db2.gz AZVGKXBRLHOKEP-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001026892749 737942563 /nfs/dbraw/zinc/94/25/63/737942563.db2.gz AZVGKXBRLHOKEP-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001038696637 738100104 /nfs/dbraw/zinc/10/01/04/738100104.db2.gz AEKPRVCGXWEDHU-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001038696637 738100106 /nfs/dbraw/zinc/10/01/06/738100106.db2.gz AEKPRVCGXWEDHU-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027444245 738298316 /nfs/dbraw/zinc/29/83/16/738298316.db2.gz QIRYLEUDSJGOES-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027444245 738298317 /nfs/dbraw/zinc/29/83/17/738298317.db2.gz QIRYLEUDSJGOES-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027444245 738298319 /nfs/dbraw/zinc/29/83/19/738298319.db2.gz QIRYLEUDSJGOES-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041412070 739202186 /nfs/dbraw/zinc/20/21/86/739202186.db2.gz FLIMPXPFKHVFJW-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041412070 739202188 /nfs/dbraw/zinc/20/21/88/739202188.db2.gz FLIMPXPFKHVFJW-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001041412070 739202192 /nfs/dbraw/zinc/20/21/92/739202192.db2.gz FLIMPXPFKHVFJW-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112124352 739683396 /nfs/dbraw/zinc/68/33/96/739683396.db2.gz GGWHCPZXZLOEBZ-VXGBXAGGSA-N 2 1 319.371 1.329 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587978 739703575 /nfs/dbraw/zinc/70/35/75/739703575.db2.gz UKTWQHQKFFFWIJ-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587978 739703580 /nfs/dbraw/zinc/70/35/80/739703580.db2.gz UKTWQHQKFFFWIJ-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028587978 739703583 /nfs/dbraw/zinc/70/35/83/739703583.db2.gz UKTWQHQKFFFWIJ-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647568 739847292 /nfs/dbraw/zinc/84/72/92/739847292.db2.gz KDBRDFBJCIQENY-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647568 739847283 /nfs/dbraw/zinc/84/72/83/739847283.db2.gz KDBRDFBJCIQENY-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647568 739847288 /nfs/dbraw/zinc/84/72/88/739847288.db2.gz KDBRDFBJCIQENY-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCC=C)C2)CC1 ZINC001029004027 740249348 /nfs/dbraw/zinc/24/93/48/740249348.db2.gz SCSDMDLMWHOVAO-INIZCTEOSA-N 2 1 303.450 1.346 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087621097 740680337 /nfs/dbraw/zinc/68/03/37/740680337.db2.gz IDOSAHYWFADXBX-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001088328862 741393467 /nfs/dbraw/zinc/39/34/67/741393467.db2.gz HKMWXLAWXHYRBP-SJORKVTESA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001088328862 741393469 /nfs/dbraw/zinc/39/34/69/741393469.db2.gz HKMWXLAWXHYRBP-SJORKVTESA-N 2 1 301.434 1.078 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240789 742167742 /nfs/dbraw/zinc/16/77/42/742167742.db2.gz JNEOUFWQJHVINX-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240789 742167743 /nfs/dbraw/zinc/16/77/43/742167743.db2.gz JNEOUFWQJHVINX-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717014 751802558 /nfs/dbraw/zinc/80/25/58/751802558.db2.gz DUXNWYNPFWICCQ-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181780857 743337752 /nfs/dbraw/zinc/33/77/52/743337752.db2.gz BSPJWANDSKBOCJ-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048745 743338133 /nfs/dbraw/zinc/33/81/33/743338133.db2.gz DFYCOVUFVDTQMM-QGZVFWFLSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048745 743338143 /nfs/dbraw/zinc/33/81/43/743338143.db2.gz DFYCOVUFVDTQMM-QGZVFWFLSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280571 743377240 /nfs/dbraw/zinc/37/72/40/743377240.db2.gz DJZWORCKEUFTBZ-BRWVUGGUSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280571 743377247 /nfs/dbraw/zinc/37/72/47/743377247.db2.gz DJZWORCKEUFTBZ-BRWVUGGUSA-N 2 1 323.481 1.234 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001035734147 751826687 /nfs/dbraw/zinc/82/66/87/751826687.db2.gz PGMPAXMEUUBKRT-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001183354128 743821951 /nfs/dbraw/zinc/82/19/51/743821951.db2.gz RAHHLPMTKFGDAA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001183354128 743821954 /nfs/dbraw/zinc/82/19/54/743821954.db2.gz RAHHLPMTKFGDAA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185761035 744282006 /nfs/dbraw/zinc/28/20/06/744282006.db2.gz FSCIYHUVWXHUMI-IAGOWNOFSA-N 2 1 323.481 1.051 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H]1C ZINC001088970788 744418478 /nfs/dbraw/zinc/41/84/78/744418478.db2.gz OHHXKGSHHLJCKM-IXDOHACOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H]1C ZINC001088970788 744418480 /nfs/dbraw/zinc/41/84/80/744418480.db2.gz OHHXKGSHHLJCKM-IXDOHACOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970788 744418483 /nfs/dbraw/zinc/41/84/83/744418483.db2.gz OHHXKGSHHLJCKM-IXDOHACOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H]1C ZINC001088970788 744418486 /nfs/dbraw/zinc/41/84/86/744418486.db2.gz OHHXKGSHHLJCKM-IXDOHACOSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(Cl)CN1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035851387 751922146 /nfs/dbraw/zinc/92/21/46/751922146.db2.gz FFGXWIKLSGOGNK-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC=C)CC3)CC1 ZINC000992512908 744929402 /nfs/dbraw/zinc/92/94/02/744929402.db2.gz TZDYWHVESVWDGH-PKOBYXMFSA-N 2 1 315.461 1.631 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210934 745394683 /nfs/dbraw/zinc/39/46/83/745394683.db2.gz IZPVRPYZACMQDY-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561968 745549882 /nfs/dbraw/zinc/54/98/82/745549882.db2.gz WKQONXZBSSCVTC-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223760 745662425 /nfs/dbraw/zinc/66/24/25/745662425.db2.gz XBBGWZFHWNCYKX-UPJWGTAASA-N 2 1 319.371 1.636 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334975 745783305 /nfs/dbraw/zinc/78/33/05/745783305.db2.gz LSCZTXRFIHCXSM-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334975 745783310 /nfs/dbraw/zinc/78/33/10/745783310.db2.gz LSCZTXRFIHCXSM-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334975 745783312 /nfs/dbraw/zinc/78/33/12/745783312.db2.gz LSCZTXRFIHCXSM-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192436125 745790639 /nfs/dbraw/zinc/79/06/39/745790639.db2.gz TXJFZLGWDDOKRC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099240990 745852931 /nfs/dbraw/zinc/85/29/31/745852931.db2.gz XDBROGITJJYYMK-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240990 745852937 /nfs/dbraw/zinc/85/29/37/745852937.db2.gz XDBROGITJJYYMK-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240990 745852942 /nfs/dbraw/zinc/85/29/42/745852942.db2.gz XDBROGITJJYYMK-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106669139 745889820 /nfs/dbraw/zinc/88/98/20/745889820.db2.gz YCMUUNQRRYZDNS-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993608446 746230291 /nfs/dbraw/zinc/23/02/91/746230291.db2.gz AMUJINTYATYDHR-WMLDXEAASA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993809395 746331242 /nfs/dbraw/zinc/33/12/42/746331242.db2.gz VXQDCBNUCNRYKR-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993809395 746331248 /nfs/dbraw/zinc/33/12/48/746331248.db2.gz VXQDCBNUCNRYKR-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993902739 746372226 /nfs/dbraw/zinc/37/22/26/746372226.db2.gz LHQNGLNMFFEBNO-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000993902739 746372231 /nfs/dbraw/zinc/37/22/31/746372231.db2.gz LHQNGLNMFFEBNO-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195874149 746727554 /nfs/dbraw/zinc/72/75/54/746727554.db2.gz RQAFZRCDOQAJLL-QGZVFWFLSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197187706 747080818 /nfs/dbraw/zinc/08/08/18/747080818.db2.gz KFPQPGXXODUWRW-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197187706 747080823 /nfs/dbraw/zinc/08/08/23/747080823.db2.gz KFPQPGXXODUWRW-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819975 747287724 /nfs/dbraw/zinc/28/77/24/747287724.db2.gz RKKNERVHYQYXCN-HZPDHXFCSA-N 2 1 323.481 1.214 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001007495415 752172212 /nfs/dbraw/zinc/17/22/12/752172212.db2.gz JMYWALAJCSHLMJ-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007495415 752172218 /nfs/dbraw/zinc/17/22/18/752172218.db2.gz JMYWALAJCSHLMJ-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003775115 747484911 /nfs/dbraw/zinc/48/49/11/747484911.db2.gz NMIUISSOMLSHGP-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723529 747701236 /nfs/dbraw/zinc/70/12/36/747701236.db2.gz LKYPSJRQRDDWEZ-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820523 747971315 /nfs/dbraw/zinc/97/13/15/747971315.db2.gz NLSBQEUILGDFQZ-NXOAAHMSSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033095658 748245948 /nfs/dbraw/zinc/24/59/48/748245948.db2.gz CONNNYXJCZGJSS-MRXNPFEDSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036204081 752257108 /nfs/dbraw/zinc/25/71/08/752257108.db2.gz DOBYGNKLVSWTPI-GJZGRUSLSA-N 2 1 302.422 1.466 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704175 748324087 /nfs/dbraw/zinc/32/40/87/748324087.db2.gz IKRRNFZAFQXHJI-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200808028 748352300 /nfs/dbraw/zinc/35/23/00/748352300.db2.gz XZLROCGXRDACTL-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033146124 748563734 /nfs/dbraw/zinc/56/37/34/748563734.db2.gz NRUMSSMRNAVRGU-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033146124 748563737 /nfs/dbraw/zinc/56/37/37/748563737.db2.gz NRUMSSMRNAVRGU-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033162546 748689121 /nfs/dbraw/zinc/68/91/21/748689121.db2.gz SCGNNLOIUCEHAU-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033162546 748689128 /nfs/dbraw/zinc/68/91/28/748689128.db2.gz SCGNNLOIUCEHAU-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033162546 748689131 /nfs/dbraw/zinc/68/91/31/748689131.db2.gz SCGNNLOIUCEHAU-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001033162546 748689138 /nfs/dbraw/zinc/68/91/38/748689138.db2.gz SCGNNLOIUCEHAU-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001202496774 748934780 /nfs/dbraw/zinc/93/47/80/748934780.db2.gz XVZQLNLYGPHPAD-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033213323 748950311 /nfs/dbraw/zinc/95/03/11/748950311.db2.gz ZRUOGQDUAXEXSY-GJZGRUSLSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033213323 748950315 /nfs/dbraw/zinc/95/03/15/748950315.db2.gz ZRUOGQDUAXEXSY-GJZGRUSLSA-N 2 1 316.449 1.932 20 30 DDEDMP C=C(Cl)CN[C@@H]1CN(C(=O)CCc2ncc[nH]2)CC1(C)C ZINC000995732465 749200032 /nfs/dbraw/zinc/20/00/32/749200032.db2.gz HFDTWZYIYJGEHV-GFCCVEGCSA-N 2 1 310.829 1.921 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712069 749228349 /nfs/dbraw/zinc/22/83/49/749228349.db2.gz QSUNPAWYDLSLIV-ZBFHGGJFSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014712069 749228356 /nfs/dbraw/zinc/22/83/56/749228356.db2.gz QSUNPAWYDLSLIV-ZBFHGGJFSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014712069 749228361 /nfs/dbraw/zinc/22/83/61/749228361.db2.gz QSUNPAWYDLSLIV-ZBFHGGJFSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191899 749423070 /nfs/dbraw/zinc/42/30/70/749423070.db2.gz WMEVSVLLCGBLGO-CABCVRRESA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191899 749423072 /nfs/dbraw/zinc/42/30/72/749423072.db2.gz WMEVSVLLCGBLGO-CABCVRRESA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001033684656 749714991 /nfs/dbraw/zinc/71/49/91/749714991.db2.gz PQLCMEAPHYYBPC-KRWDZBQOSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001039385247 761985532 /nfs/dbraw/zinc/98/55/32/761985532.db2.gz FAYGIBIDBJDNQY-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039385247 761985535 /nfs/dbraw/zinc/98/55/35/761985535.db2.gz FAYGIBIDBJDNQY-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039385247 761985539 /nfs/dbraw/zinc/98/55/39/761985539.db2.gz FAYGIBIDBJDNQY-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095425441 749886259 /nfs/dbraw/zinc/88/62/59/749886259.db2.gz QMXBKOVHSJPGCJ-NCOADZHNSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033932805 750154255 /nfs/dbraw/zinc/15/42/55/750154255.db2.gz SOVLLIDEOORPJI-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932805 750154259 /nfs/dbraw/zinc/15/42/59/750154259.db2.gz SOVLLIDEOORPJI-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932805 750154263 /nfs/dbraw/zinc/15/42/63/750154263.db2.gz SOVLLIDEOORPJI-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932805 750154270 /nfs/dbraw/zinc/15/42/70/750154270.db2.gz SOVLLIDEOORPJI-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107583268 750185607 /nfs/dbraw/zinc/18/56/07/750185607.db2.gz UABUDTDMQBQLPC-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001034691224 750720237 /nfs/dbraw/zinc/72/02/37/750720237.db2.gz IIPKHNBWRHNQIW-SHTZXODSSA-N 2 1 314.433 1.412 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)C(C)C)C2)CC1 ZINC001017266393 750770962 /nfs/dbraw/zinc/77/09/62/750770962.db2.gz KJSRYGXWLCQKAX-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032453683 750872648 /nfs/dbraw/zinc/87/26/48/750872648.db2.gz JUMZDQGFMUCKOX-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001032453683 750872659 /nfs/dbraw/zinc/87/26/59/750872659.db2.gz JUMZDQGFMUCKOX-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032453683 750872665 /nfs/dbraw/zinc/87/26/65/750872665.db2.gz JUMZDQGFMUCKOX-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032453683 750872669 /nfs/dbraw/zinc/87/26/69/750872669.db2.gz JUMZDQGFMUCKOX-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997586791 751134439 /nfs/dbraw/zinc/13/44/39/751134439.db2.gz PDJILXUKEHDSMX-BHYGNILZSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997862185 751327323 /nfs/dbraw/zinc/32/73/23/751327323.db2.gz ZLKXNWXOYYMLQK-ZFWWWQNUSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997862185 751327328 /nfs/dbraw/zinc/32/73/28/751327328.db2.gz ZLKXNWXOYYMLQK-ZFWWWQNUSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000999198888 752638488 /nfs/dbraw/zinc/63/84/88/752638488.db2.gz DGVIDICFFYAKEJ-LSDHHAIUSA-N 2 1 302.422 1.610 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999212223 752660201 /nfs/dbraw/zinc/66/02/01/752660201.db2.gz XOYSMMJCBPCUOV-CZUORRHYSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999212223 752660205 /nfs/dbraw/zinc/66/02/05/752660205.db2.gz XOYSMMJCBPCUOV-CZUORRHYSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032724413 753358318 /nfs/dbraw/zinc/35/83/18/753358318.db2.gz TUGMKFXBLRCTKV-IRXDYDNUSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032724413 753358323 /nfs/dbraw/zinc/35/83/23/753358323.db2.gz TUGMKFXBLRCTKV-IRXDYDNUSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040106800 762386750 /nfs/dbraw/zinc/38/67/50/762386750.db2.gz DENCZMUXERDKNX-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040106800 762386755 /nfs/dbraw/zinc/38/67/55/762386755.db2.gz DENCZMUXERDKNX-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040106800 762386761 /nfs/dbraw/zinc/38/67/61/762386761.db2.gz DENCZMUXERDKNX-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014731192 755911276 /nfs/dbraw/zinc/91/12/76/755911276.db2.gz ZXFAGSVWQQRPPN-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014731192 755911284 /nfs/dbraw/zinc/91/12/84/755911284.db2.gz ZXFAGSVWQQRPPN-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619714 756417294 /nfs/dbraw/zinc/41/72/94/756417294.db2.gz CJYGKSZBCKEBJP-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619714 756417295 /nfs/dbraw/zinc/41/72/95/756417295.db2.gz CJYGKSZBCKEBJP-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081895088 756543177 /nfs/dbraw/zinc/54/31/77/756543177.db2.gz ROMHNHRPYJMJCZ-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081981080 756584805 /nfs/dbraw/zinc/58/48/05/756584805.db2.gz SLSUOPVMKJRGQA-BRWVUGGUSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cnc(C)n3C1)C2 ZINC001095927701 756612839 /nfs/dbraw/zinc/61/28/39/756612839.db2.gz KGTODCXIUVZBRX-JHNDHUHGSA-N 2 1 312.417 1.109 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3cnc(C)n3C1)C2 ZINC001095927701 756612843 /nfs/dbraw/zinc/61/28/43/756612843.db2.gz KGTODCXIUVZBRX-JHNDHUHGSA-N 2 1 312.417 1.109 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082202377 756681089 /nfs/dbraw/zinc/68/10/89/756681089.db2.gz VRYIDGMGCHSTPN-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016618176 757208407 /nfs/dbraw/zinc/20/84/07/757208407.db2.gz QDYOTGMQAJRFRB-JKSUJKDBSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001085538 762537910 /nfs/dbraw/zinc/53/79/10/762537910.db2.gz GUAKFGDKDXSRFS-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001085538 762537916 /nfs/dbraw/zinc/53/79/16/762537916.db2.gz GUAKFGDKDXSRFS-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001085538 762537920 /nfs/dbraw/zinc/53/79/20/762537920.db2.gz GUAKFGDKDXSRFS-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CC3)C[C@H]21 ZINC001084418007 757539873 /nfs/dbraw/zinc/53/98/73/757539873.db2.gz QELHOHNEQMBNCS-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CC3)C[C@H]21 ZINC001084418007 757539878 /nfs/dbraw/zinc/53/98/78/757539878.db2.gz QELHOHNEQMBNCS-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CC3)C[C@H]21 ZINC001084418007 757539883 /nfs/dbraw/zinc/53/98/83/757539883.db2.gz QELHOHNEQMBNCS-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084418007 757539887 /nfs/dbraw/zinc/53/98/87/757539887.db2.gz QELHOHNEQMBNCS-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001052766392 757744524 /nfs/dbraw/zinc/74/45/24/757744524.db2.gz BRZIEOFPIFEWQG-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751454 757865426 /nfs/dbraw/zinc/86/54/26/757865426.db2.gz MKPPQCHDCQNQKC-IAGOWNOFSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569450 758039927 /nfs/dbraw/zinc/03/99/27/758039927.db2.gz MEAUMTYEQPQEIX-YVSFHVDLSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017569450 758039935 /nfs/dbraw/zinc/03/99/35/758039935.db2.gz MEAUMTYEQPQEIX-YVSFHVDLSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017569450 758039940 /nfs/dbraw/zinc/03/99/40/758039940.db2.gz MEAUMTYEQPQEIX-YVSFHVDLSA-N 2 1 319.449 1.101 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963414 758102020 /nfs/dbraw/zinc/10/20/20/758102020.db2.gz SXVBUTUESBCGJI-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963414 758102023 /nfs/dbraw/zinc/10/20/23/758102023.db2.gz SXVBUTUESBCGJI-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084963414 758102026 /nfs/dbraw/zinc/10/20/26/758102026.db2.gz SXVBUTUESBCGJI-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001017948752 758416695 /nfs/dbraw/zinc/41/66/95/758416695.db2.gz HIQJESJURJCRAI-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001017948752 758416700 /nfs/dbraw/zinc/41/67/00/758416700.db2.gz HIQJESJURJCRAI-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001017948752 758416703 /nfs/dbraw/zinc/41/67/03/758416703.db2.gz HIQJESJURJCRAI-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001017948752 758416708 /nfs/dbraw/zinc/41/67/08/758416708.db2.gz HIQJESJURJCRAI-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054100014 759163805 /nfs/dbraw/zinc/16/38/05/759163805.db2.gz UQAJWDDXTQFRDH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054100014 759163811 /nfs/dbraw/zinc/16/38/11/759163811.db2.gz UQAJWDDXTQFRDH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054100014 759163818 /nfs/dbraw/zinc/16/38/18/759163818.db2.gz UQAJWDDXTQFRDH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054240718 759330001 /nfs/dbraw/zinc/33/00/01/759330001.db2.gz ZTNBOJUYSUBVEB-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240718 759330011 /nfs/dbraw/zinc/33/00/11/759330011.db2.gz ZTNBOJUYSUBVEB-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240718 759330021 /nfs/dbraw/zinc/33/00/21/759330021.db2.gz ZTNBOJUYSUBVEB-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001019297978 759775769 /nfs/dbraw/zinc/77/57/69/759775769.db2.gz SYTDUOMBOVHHTR-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085687420 760015977 /nfs/dbraw/zinc/01/59/77/760015977.db2.gz ORDRQDZUHSDUPJ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687420 760015983 /nfs/dbraw/zinc/01/59/83/760015983.db2.gz ORDRQDZUHSDUPJ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687420 760015992 /nfs/dbraw/zinc/01/59/92/760015992.db2.gz ORDRQDZUHSDUPJ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001085778863 760211574 /nfs/dbraw/zinc/21/15/74/760211574.db2.gz IXXRBMHKKSPWLZ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778863 760211579 /nfs/dbraw/zinc/21/15/79/760211579.db2.gz IXXRBMHKKSPWLZ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778863 760211583 /nfs/dbraw/zinc/21/15/83/760211583.db2.gz IXXRBMHKKSPWLZ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778863 760211588 /nfs/dbraw/zinc/21/15/88/760211588.db2.gz IXXRBMHKKSPWLZ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108215743 760407802 /nfs/dbraw/zinc/40/78/02/760407802.db2.gz IDKPMFLZOZCSRE-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215743 760407811 /nfs/dbraw/zinc/40/78/11/760407811.db2.gz IDKPMFLZOZCSRE-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215743 760407816 /nfs/dbraw/zinc/40/78/16/760407816.db2.gz IDKPMFLZOZCSRE-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CCC3)C2)CC1 ZINC001046850276 767982662 /nfs/dbraw/zinc/98/26/62/767982662.db2.gz RBBQVFZIXLAUCL-LJQANCHMSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCCC)C2)C1 ZINC001041366786 762982654 /nfs/dbraw/zinc/98/26/54/762982654.db2.gz BUZVKKHPAJEYCQ-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001041366786 762982656 /nfs/dbraw/zinc/98/26/56/762982656.db2.gz BUZVKKHPAJEYCQ-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCC)C2)C1 ZINC001041366786 762982660 /nfs/dbraw/zinc/98/26/60/762982660.db2.gz BUZVKKHPAJEYCQ-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCC)C2)C1 ZINC001041366786 762982664 /nfs/dbraw/zinc/98/26/64/762982664.db2.gz BUZVKKHPAJEYCQ-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063183 763077624 /nfs/dbraw/zinc/07/76/24/763077624.db2.gz DTZUVHHMDKWJGL-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063183 763077627 /nfs/dbraw/zinc/07/76/27/763077627.db2.gz DTZUVHHMDKWJGL-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063183 763077629 /nfs/dbraw/zinc/07/76/29/763077629.db2.gz DTZUVHHMDKWJGL-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041679805 763218097 /nfs/dbraw/zinc/21/80/97/763218097.db2.gz ODEWHLDEEGEIGG-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679805 763218106 /nfs/dbraw/zinc/21/81/06/763218106.db2.gz ODEWHLDEEGEIGG-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679805 763218117 /nfs/dbraw/zinc/21/81/17/763218117.db2.gz ODEWHLDEEGEIGG-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050184620 763282602 /nfs/dbraw/zinc/28/26/02/763282602.db2.gz NQPPNQSYYJNUNS-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845713 763401800 /nfs/dbraw/zinc/40/18/00/763401800.db2.gz OGXPRNKFRGJNNK-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845713 763401801 /nfs/dbraw/zinc/40/18/01/763401801.db2.gz OGXPRNKFRGJNNK-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845713 763401802 /nfs/dbraw/zinc/40/18/02/763401802.db2.gz OGXPRNKFRGJNNK-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094929 763642754 /nfs/dbraw/zinc/64/27/54/763642754.db2.gz ZUOAPNHDKKNXDU-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095006 763643311 /nfs/dbraw/zinc/64/33/11/763643311.db2.gz FHFOQGAJAIVRRI-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042095006 763643318 /nfs/dbraw/zinc/64/33/18/763643318.db2.gz FHFOQGAJAIVRRI-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001042095006 763643327 /nfs/dbraw/zinc/64/33/27/763643327.db2.gz FHFOQGAJAIVRRI-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050524090 763705644 /nfs/dbraw/zinc/70/56/44/763705644.db2.gz SFSBXJMGQFIHDD-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042354368 763955123 /nfs/dbraw/zinc/95/51/23/763955123.db2.gz FRNBQVRELKJHLC-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042354368 763955128 /nfs/dbraw/zinc/95/51/28/763955128.db2.gz FRNBQVRELKJHLC-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050729893 763969564 /nfs/dbraw/zinc/96/95/64/763969564.db2.gz DOEHWGHQJGRNKG-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764514 764019551 /nfs/dbraw/zinc/01/95/51/764019551.db2.gz CBJGVWWHZPDSEH-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090437214 764400775 /nfs/dbraw/zinc/40/07/75/764400775.db2.gz ZQNPCXFRJFHVAE-CVEARBPZSA-N 2 1 314.389 1.075 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855400 764882580 /nfs/dbraw/zinc/88/25/80/764882580.db2.gz UXAYMVBCPNFADL-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001112855400 764882590 /nfs/dbraw/zinc/88/25/90/764882590.db2.gz UXAYMVBCPNFADL-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704734 768273972 /nfs/dbraw/zinc/27/39/72/768273972.db2.gz ZVOUEAZSQUOOSH-WMZOPIPTSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704734 768273976 /nfs/dbraw/zinc/27/39/76/768273976.db2.gz ZVOUEAZSQUOOSH-WMZOPIPTSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704734 768273979 /nfs/dbraw/zinc/27/39/79/768273979.db2.gz ZVOUEAZSQUOOSH-WMZOPIPTSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131696955 768279382 /nfs/dbraw/zinc/27/93/82/768279382.db2.gz DSPCOALLMGTMGP-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696955 768279387 /nfs/dbraw/zinc/27/93/87/768279387.db2.gz DSPCOALLMGTMGP-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696955 768279393 /nfs/dbraw/zinc/27/93/93/768279393.db2.gz DSPCOALLMGTMGP-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131693121 768275953 /nfs/dbraw/zinc/27/59/53/768275953.db2.gz NBIVZCUBXWFSHI-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131693121 768275955 /nfs/dbraw/zinc/27/59/55/768275955.db2.gz NBIVZCUBXWFSHI-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131693121 768275961 /nfs/dbraw/zinc/27/59/61/768275961.db2.gz NBIVZCUBXWFSHI-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131696794 768278352 /nfs/dbraw/zinc/27/83/52/768278352.db2.gz AMTLFTJKUAIIKN-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696794 768278355 /nfs/dbraw/zinc/27/83/55/768278355.db2.gz AMTLFTJKUAIIKN-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696794 768278361 /nfs/dbraw/zinc/27/83/61/768278361.db2.gz AMTLFTJKUAIIKN-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444368 766310749 /nfs/dbraw/zinc/31/07/49/766310749.db2.gz LFCFXKYGCOLGPK-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045458217 766321019 /nfs/dbraw/zinc/32/10/19/766321019.db2.gz BEBUCYPWWQRTSN-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526481 766915602 /nfs/dbraw/zinc/91/56/02/766915602.db2.gz IZMRYTPYOHPGQZ-UHFFFAOYSA-N 2 1 304.232 1.085 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470145 767604805 /nfs/dbraw/zinc/60/48/05/767604805.db2.gz GJFUDJCHDYMPLA-KRWDZBQOSA-N 2 1 311.389 1.648 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107500 768632656 /nfs/dbraw/zinc/63/26/56/768632656.db2.gz ZNOFIPWOALYJCA-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132107500 768632661 /nfs/dbraw/zinc/63/26/61/768632661.db2.gz ZNOFIPWOALYJCA-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107500 768632668 /nfs/dbraw/zinc/63/26/68/768632668.db2.gz ZNOFIPWOALYJCA-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132107500 768632676 /nfs/dbraw/zinc/63/26/76/768632676.db2.gz ZNOFIPWOALYJCA-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCc2nccn2C)CC[C@H]1C ZINC001132194889 768664848 /nfs/dbraw/zinc/66/48/48/768664848.db2.gz GJZJQIWLSXRGMD-HUUCEWRRSA-N 2 1 302.422 1.345 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132407112 768811427 /nfs/dbraw/zinc/81/14/27/768811427.db2.gz VEKQERVUVYTMQL-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437394 768862360 /nfs/dbraw/zinc/86/23/60/768862360.db2.gz TUUGWYUQRCLUPA-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437394 768862370 /nfs/dbraw/zinc/86/23/70/768862370.db2.gz TUUGWYUQRCLUPA-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479114 768911739 /nfs/dbraw/zinc/91/17/39/768911739.db2.gz SOJFWLKVEYQILW-DOTOQJQBSA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479114 768911745 /nfs/dbraw/zinc/91/17/45/768911745.db2.gz SOJFWLKVEYQILW-DOTOQJQBSA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479114 768911751 /nfs/dbraw/zinc/91/17/51/768911751.db2.gz SOJFWLKVEYQILW-DOTOQJQBSA-N 2 1 323.481 1.046 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132888333 769290117 /nfs/dbraw/zinc/29/01/17/769290117.db2.gz MHKJAXYOPXZUQW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582486 769557196 /nfs/dbraw/zinc/55/71/96/769557196.db2.gz OXZAMRJITBSRMQ-MUJYYYPQSA-N 2 1 303.450 1.627 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049131075 770430622 /nfs/dbraw/zinc/43/06/22/770430622.db2.gz FCIWPKCPSWJIHP-CALCHBBNSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC)C2)CC1 ZINC001072095535 770536264 /nfs/dbraw/zinc/53/62/64/770536264.db2.gz KDXAHSRDXMARQO-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCF)C2)CC1 ZINC001072096329 770537855 /nfs/dbraw/zinc/53/78/55/770537855.db2.gz XNANPCHPKAOYGV-HOCLYGCPSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCF)C2)CC1 ZINC001072096329 770537856 /nfs/dbraw/zinc/53/78/56/770537856.db2.gz XNANPCHPKAOYGV-HOCLYGCPSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC=C)C2)CC1 ZINC001072099714 770541446 /nfs/dbraw/zinc/54/14/46/770541446.db2.gz WJMHRAZGRBPLTE-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001149400342 772778746 /nfs/dbraw/zinc/77/87/46/772778746.db2.gz WUCPJKNVDAVECW-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400342 772778748 /nfs/dbraw/zinc/77/87/48/772778748.db2.gz WUCPJKNVDAVECW-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400342 772778749 /nfs/dbraw/zinc/77/87/49/772778749.db2.gz WUCPJKNVDAVECW-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001073841598 773461516 /nfs/dbraw/zinc/46/15/16/773461516.db2.gz OEVSDDYVPGHISA-QGZVFWFLSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001086957861 773744944 /nfs/dbraw/zinc/74/49/44/773744944.db2.gz XWHUBDGOGINLLS-HNNXBMFYSA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788064 773807283 /nfs/dbraw/zinc/80/72/83/773807283.db2.gz SCGHALMQOSZPCO-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091788064 773807290 /nfs/dbraw/zinc/80/72/90/773807290.db2.gz SCGHALMQOSZPCO-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091788064 773807296 /nfs/dbraw/zinc/80/72/96/773807296.db2.gz SCGHALMQOSZPCO-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001099027529 774780125 /nfs/dbraw/zinc/78/01/25/774780125.db2.gz MZPRXXXNDCLQES-RYRKJORJSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001099027529 774780126 /nfs/dbraw/zinc/78/01/26/774780126.db2.gz MZPRXXXNDCLQES-RYRKJORJSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001099027529 774780130 /nfs/dbraw/zinc/78/01/30/774780130.db2.gz MZPRXXXNDCLQES-RYRKJORJSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001099942098 775451008 /nfs/dbraw/zinc/45/10/08/775451008.db2.gz MDRSRWUAGTWIIF-JKSUJKDBSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100346226 776031105 /nfs/dbraw/zinc/03/11/05/776031105.db2.gz WZVMKCDUMUUMRQ-QQFBHYJXSA-N 2 1 316.449 1.904 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100678615 776430683 /nfs/dbraw/zinc/43/06/83/776430683.db2.gz QRLAGUMZCHMBHD-KVULBXGLSA-N 2 1 311.445 1.869 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193867 777208500 /nfs/dbraw/zinc/20/85/00/777208500.db2.gz QKASQWNIHFXJOK-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091046 777870004 /nfs/dbraw/zinc/87/00/04/777870004.db2.gz PHVKSDZRWGQZHM-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091046 777870012 /nfs/dbraw/zinc/87/00/12/777870012.db2.gz PHVKSDZRWGQZHM-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091046 777870026 /nfs/dbraw/zinc/87/00/26/777870026.db2.gz PHVKSDZRWGQZHM-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176126110 778056515 /nfs/dbraw/zinc/05/65/15/778056515.db2.gz VIGGCUCJJNYXFI-UHFFFAOYSA-N 2 1 310.401 1.339 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601619 778233495 /nfs/dbraw/zinc/23/34/95/778233495.db2.gz KMGVLHUDSYVDSP-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1c[nH+]cc1C ZINC001177368401 778551043 /nfs/dbraw/zinc/55/10/43/778551043.db2.gz FRTLTXXUYJELAF-UHFFFAOYSA-N 2 1 316.449 1.823 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103088694 778630616 /nfs/dbraw/zinc/63/06/16/778630616.db2.gz OGTQNYINUJYKHE-DJIMGWMZSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178535481 779083022 /nfs/dbraw/zinc/08/30/22/779083022.db2.gz JYJUCMKOAGPAKH-DLBZAZTESA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115342143 780053309 /nfs/dbraw/zinc/05/33/09/780053309.db2.gz RQYSIJDOEVNCOF-DZFIZOCASA-N 2 1 313.445 1.741 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115342143 780053315 /nfs/dbraw/zinc/05/33/15/780053315.db2.gz RQYSIJDOEVNCOF-DZFIZOCASA-N 2 1 313.445 1.741 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115342143 780053320 /nfs/dbraw/zinc/05/33/20/780053320.db2.gz RQYSIJDOEVNCOF-DZFIZOCASA-N 2 1 313.445 1.741 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115342143 780053327 /nfs/dbraw/zinc/05/33/27/780053327.db2.gz RQYSIJDOEVNCOF-DZFIZOCASA-N 2 1 313.445 1.741 20 30 DDEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1COCCN1C1CCCC1 ZINC001266411136 836221468 /nfs/dbraw/zinc/22/14/68/836221468.db2.gz NSNQFZWRENNYOM-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001279518028 836878563 /nfs/dbraw/zinc/87/85/63/836878563.db2.gz DFCIXEIYSIREJK-WMZOPIPTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001279518028 836878597 /nfs/dbraw/zinc/87/85/97/836878597.db2.gz DFCIXEIYSIREJK-WMZOPIPTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001279518028 836878607 /nfs/dbraw/zinc/87/86/07/836878607.db2.gz DFCIXEIYSIREJK-WMZOPIPTSA-N 2 1 323.481 1.238 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266898240 837020857 /nfs/dbraw/zinc/02/08/57/837020857.db2.gz UBWYNPYHBIMITF-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001271954120 844234566 /nfs/dbraw/zinc/23/45/66/844234566.db2.gz QLSKUOYWWMCNRX-UHFFFAOYSA-N 2 1 303.450 1.868 20 30 DDEDMP C=C(C)C[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001267375759 837941732 /nfs/dbraw/zinc/94/17/32/837941732.db2.gz UOQSUPQVILAXRY-HNNXBMFYSA-N 2 1 305.426 1.414 20 30 DDEDMP C=C(C)C[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001267375759 837941736 /nfs/dbraw/zinc/94/17/36/837941736.db2.gz UOQSUPQVILAXRY-HNNXBMFYSA-N 2 1 305.426 1.414 20 30 DDEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267721224 838729403 /nfs/dbraw/zinc/72/94/03/838729403.db2.gz ODAKAADHCDLUSE-HOTGVXAUSA-N 2 1 311.470 1.478 20 30 DDEDMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267721224 838729398 /nfs/dbraw/zinc/72/93/98/838729398.db2.gz ODAKAADHCDLUSE-HOTGVXAUSA-N 2 1 311.470 1.478 20 30 DDEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001267721224 838729407 /nfs/dbraw/zinc/72/94/07/838729407.db2.gz ODAKAADHCDLUSE-HOTGVXAUSA-N 2 1 311.470 1.478 20 30 DDEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267721224 838729412 /nfs/dbraw/zinc/72/94/12/838729412.db2.gz ODAKAADHCDLUSE-HOTGVXAUSA-N 2 1 311.470 1.478 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@H]1CCCCO1 ZINC001268238551 839876716 /nfs/dbraw/zinc/87/67/16/839876716.db2.gz HTEMZVKNRJJTPH-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@H]1CCCCO1 ZINC001268238551 839876723 /nfs/dbraw/zinc/87/67/23/839876723.db2.gz HTEMZVKNRJJTPH-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H]1CCCCO1 ZINC001268238551 839876732 /nfs/dbraw/zinc/87/67/32/839876732.db2.gz HTEMZVKNRJJTPH-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@H]1CCCCO1 ZINC001268238551 839876741 /nfs/dbraw/zinc/87/67/41/839876741.db2.gz HTEMZVKNRJJTPH-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[N@H+](CCOC)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001269644968 841894762 /nfs/dbraw/zinc/89/47/62/841894762.db2.gz VLIXKXMQHHUBHF-MRXNPFEDSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CCCC[C@H]1C ZINC001269675770 841925003 /nfs/dbraw/zinc/92/50/03/841925003.db2.gz CJMGAMYSPOSOBA-AEFFLSMTSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001326290560 861260191 /nfs/dbraw/zinc/26/01/91/861260191.db2.gz PLROOIDOIBXHSU-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001326290560 861260203 /nfs/dbraw/zinc/26/02/03/861260203.db2.gz PLROOIDOIBXHSU-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001269770816 842031925 /nfs/dbraw/zinc/03/19/25/842031925.db2.gz SYBOVVLINUSFBR-MRXNPFEDSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001270528016 842643103 /nfs/dbraw/zinc/64/31/03/842643103.db2.gz BESZDWSWKJMBOW-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001270528016 842643110 /nfs/dbraw/zinc/64/31/10/842643110.db2.gz BESZDWSWKJMBOW-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001270528016 842643113 /nfs/dbraw/zinc/64/31/13/842643113.db2.gz BESZDWSWKJMBOW-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001272225008 844772009 /nfs/dbraw/zinc/77/20/09/844772009.db2.gz OXYXKMQDDBOOCQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCCCN1CCOC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001326655682 861514485 /nfs/dbraw/zinc/51/44/85/861514485.db2.gz PEBOVJIZIOWCAO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273039035 847825874 /nfs/dbraw/zinc/82/58/74/847825874.db2.gz LLOHVTYPHAOILT-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034213383 848120840 /nfs/dbraw/zinc/12/08/40/848120840.db2.gz XFHMIFKQSOEVBR-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034239632 848167148 /nfs/dbraw/zinc/16/71/48/848167148.db2.gz ZUSYFWSEXNGGCN-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239632 848167153 /nfs/dbraw/zinc/16/71/53/848167153.db2.gz ZUSYFWSEXNGGCN-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239632 848167158 /nfs/dbraw/zinc/16/71/58/848167158.db2.gz ZUSYFWSEXNGGCN-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034239633 848168010 /nfs/dbraw/zinc/16/80/10/848168010.db2.gz ZUSYFWSEXNGGCN-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239633 848168016 /nfs/dbraw/zinc/16/80/16/848168016.db2.gz ZUSYFWSEXNGGCN-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239633 848168018 /nfs/dbraw/zinc/16/80/18/848168018.db2.gz ZUSYFWSEXNGGCN-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001034365281 848420331 /nfs/dbraw/zinc/42/03/31/848420331.db2.gz ZIXGCVNANUZIHV-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365281 848420336 /nfs/dbraw/zinc/42/03/36/848420336.db2.gz ZIXGCVNANUZIHV-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365281 848420339 /nfs/dbraw/zinc/42/03/39/848420339.db2.gz ZIXGCVNANUZIHV-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365281 848420344 /nfs/dbraw/zinc/42/03/44/848420344.db2.gz ZIXGCVNANUZIHV-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365281 848420349 /nfs/dbraw/zinc/42/03/49/848420349.db2.gz ZIXGCVNANUZIHV-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001034365278 848421857 /nfs/dbraw/zinc/42/18/57/848421857.db2.gz ZIXGCVNANUZIHV-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365278 848421860 /nfs/dbraw/zinc/42/18/60/848421860.db2.gz ZIXGCVNANUZIHV-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365278 848421864 /nfs/dbraw/zinc/42/18/64/848421864.db2.gz ZIXGCVNANUZIHV-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365278 848421867 /nfs/dbraw/zinc/42/18/67/848421867.db2.gz ZIXGCVNANUZIHV-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365278 848421871 /nfs/dbraw/zinc/42/18/71/848421871.db2.gz ZIXGCVNANUZIHV-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394174 848455643 /nfs/dbraw/zinc/45/56/43/848455643.db2.gz JTXCCPGAHPZVRS-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394174 848455647 /nfs/dbraw/zinc/45/56/47/848455647.db2.gz JTXCCPGAHPZVRS-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273144242 848564662 /nfs/dbraw/zinc/56/46/62/848564662.db2.gz OLUDVZCKYDZFCS-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273144242 848564669 /nfs/dbraw/zinc/56/46/69/848564669.db2.gz OLUDVZCKYDZFCS-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001273144242 848564678 /nfs/dbraw/zinc/56/46/78/848564678.db2.gz OLUDVZCKYDZFCS-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001273144242 848564685 /nfs/dbraw/zinc/56/46/85/848564685.db2.gz OLUDVZCKYDZFCS-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1CCC2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144603 848566685 /nfs/dbraw/zinc/56/66/85/848566685.db2.gz RTYBURHSRVDOQH-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273175864 848635338 /nfs/dbraw/zinc/63/53/38/848635338.db2.gz LOSXJQMLAQIUQF-NEPJUHHUSA-N 2 1 318.259 1.331 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155314339 861951654 /nfs/dbraw/zinc/95/16/54/861951654.db2.gz UTXWJCDUXZVCIV-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001273877161 851453540 /nfs/dbraw/zinc/45/35/40/851453540.db2.gz UJZOQTBTQZMBQL-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275071671 852786509 /nfs/dbraw/zinc/78/65/09/852786509.db2.gz GPSRBQDPVQYPSF-IEBWSBKVSA-N 2 1 322.412 1.587 20 30 DDEDMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001275081133 852792038 /nfs/dbraw/zinc/79/20/38/852792038.db2.gz QNBPEQPNYKSICH-IEBWSBKVSA-N 2 1 322.412 1.587 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001155789524 862451633 /nfs/dbraw/zinc/45/16/33/862451633.db2.gz DOXPFUAMABQNBH-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)ccc1C#N ZINC001275598310 853418522 /nfs/dbraw/zinc/41/85/22/853418522.db2.gz XUIDMCAOCNMAPB-ROUUACIJSA-N 2 1 316.424 1.908 20 30 DDEDMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(F)ccc1C#N ZINC001275598310 853418524 /nfs/dbraw/zinc/41/85/24/853418524.db2.gz XUIDMCAOCNMAPB-ROUUACIJSA-N 2 1 316.424 1.908 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001151147633 862651087 /nfs/dbraw/zinc/65/10/87/862651087.db2.gz SXRJMJGOHASOJF-UHFFFAOYSA-N 2 1 315.352 1.108 20 30 DDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001328127625 862711181 /nfs/dbraw/zinc/71/11/81/862711181.db2.gz DWFRDGIXGSVUJK-UHFFFAOYSA-N 2 1 322.497 1.123 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049567734 856986414 /nfs/dbraw/zinc/98/64/14/856986414.db2.gz OCDBZRKGNUPPHX-HOTGVXAUSA-N 2 1 301.434 1.313 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433568 858333009 /nfs/dbraw/zinc/33/30/09/858333009.db2.gz DFGVBFJYIHWEOU-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCOc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001138558034 860128712 /nfs/dbraw/zinc/12/87/12/860128712.db2.gz XMBJABCRGHPABA-UHFFFAOYSA-N 2 1 301.434 1.378 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287454 863713016 /nfs/dbraw/zinc/71/30/16/863713016.db2.gz XCBBNIASXQJBFP-QGZVFWFLSA-N 2 1 315.461 1.968 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287454 863713022 /nfs/dbraw/zinc/71/30/22/863713022.db2.gz XCBBNIASXQJBFP-QGZVFWFLSA-N 2 1 315.461 1.968 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287454 863713027 /nfs/dbraw/zinc/71/30/27/863713027.db2.gz XCBBNIASXQJBFP-QGZVFWFLSA-N 2 1 315.461 1.968 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287454 863713032 /nfs/dbraw/zinc/71/30/32/863713032.db2.gz XCBBNIASXQJBFP-QGZVFWFLSA-N 2 1 315.461 1.968 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001330511984 864418709 /nfs/dbraw/zinc/41/87/09/864418709.db2.gz IAIQDGOBXQLXKA-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC001330917848 864701705 /nfs/dbraw/zinc/70/17/05/864701705.db2.gz SILLKRAKJBCRNP-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC001330917848 864701717 /nfs/dbraw/zinc/70/17/17/864701717.db2.gz SILLKRAKJBCRNP-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001332010796 865501799 /nfs/dbraw/zinc/50/17/99/865501799.db2.gz DWFDMOLSBRQATA-WBVHZDCISA-N 2 1 314.433 1.913 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332031652 865518051 /nfs/dbraw/zinc/51/80/51/865518051.db2.gz LMDIXNKMDTUMCJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155499 865701845 /nfs/dbraw/zinc/70/18/45/865701845.db2.gz IQJUJERZUDYVLY-GOSISDBHSA-N 2 1 315.461 1.490 20 30 DDEDMP N#Cc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)nc2ccccc12 ZINC001160521282 865907059 /nfs/dbraw/zinc/90/70/59/865907059.db2.gz XTHHOKDQSHZTPS-SFHVURJKSA-N 2 1 307.401 1.941 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332901063 866234253 /nfs/dbraw/zinc/23/42/53/866234253.db2.gz XHPUWZAUVXBOKX-LSDHHAIUSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332901063 866234267 /nfs/dbraw/zinc/23/42/67/866234267.db2.gz XHPUWZAUVXBOKX-LSDHHAIUSA-N 2 1 311.470 1.404 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001323047467 866295152 /nfs/dbraw/zinc/29/51/52/866295152.db2.gz OPHDHHXIZCZXQT-IAGOWNOFSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161445475 866672053 /nfs/dbraw/zinc/67/20/53/866672053.db2.gz SHZPIFZAPRBLJK-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161445475 866672066 /nfs/dbraw/zinc/67/20/66/866672066.db2.gz SHZPIFZAPRBLJK-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161445475 866672072 /nfs/dbraw/zinc/67/20/72/866672072.db2.gz SHZPIFZAPRBLJK-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001323638877 866739101 /nfs/dbraw/zinc/73/91/01/866739101.db2.gz VZDMDKAJOSTMBE-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323638877 866739115 /nfs/dbraw/zinc/73/91/15/866739115.db2.gz VZDMDKAJOSTMBE-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323638877 866739120 /nfs/dbraw/zinc/73/91/20/866739120.db2.gz VZDMDKAJOSTMBE-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP N#Cc1ccccc1C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001321405589 867565510 /nfs/dbraw/zinc/56/55/10/867565510.db2.gz SWLCQZAPRHIJAI-ARJAWSKDSA-N 2 1 312.417 1.416 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001321693259 867742756 /nfs/dbraw/zinc/74/27/56/867742756.db2.gz LTYVDRBBFIJDND-OAHLLOKOSA-N 2 1 319.424 1.613 20 30 DDEDMP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001325421056 868016394 /nfs/dbraw/zinc/01/63/94/868016394.db2.gz YZXZWXVPZPNUBY-STQMWFEESA-N 2 1 306.410 1.362 20 30 DDEDMP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001322307989 868107858 /nfs/dbraw/zinc/10/78/58/868107858.db2.gz UZRXYUFPTIBHFF-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001322307989 868107868 /nfs/dbraw/zinc/10/78/68/868107868.db2.gz UZRXYUFPTIBHFF-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH2+]CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001163275182 868296077 /nfs/dbraw/zinc/29/60/77/868296077.db2.gz SHACLGHOGIFPTD-UHFFFAOYSA-N 2 1 323.481 1.387 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N(C)S(=O)(=O)CC[NH3+])cc1 ZINC001164300131 869101137 /nfs/dbraw/zinc/10/11/37/869101137.db2.gz HSSPRDOHHPJWAR-MRXNPFEDSA-N 2 1 323.462 1.734 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001340089930 870888389 /nfs/dbraw/zinc/88/83/89/870888389.db2.gz HTKJEEXLAGLTBJ-ARFHVFGLSA-N 2 1 309.454 1.430 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001317701854 871424221 /nfs/dbraw/zinc/42/42/21/871424221.db2.gz IUBDQRKKTRLNHG-INIZCTEOSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C(C)C ZINC001317701854 871424231 /nfs/dbraw/zinc/42/42/31/871424231.db2.gz IUBDQRKKTRLNHG-INIZCTEOSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001205479679 871574887 /nfs/dbraw/zinc/57/48/87/871574887.db2.gz SFPGQCQDDHNSNX-YCOJEUHLSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C/C=C/Cl)CC1 ZINC001205479679 871574900 /nfs/dbraw/zinc/57/49/00/871574900.db2.gz SFPGQCQDDHNSNX-YCOJEUHLSA-N 2 1 323.868 1.665 20 30 DDEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H]1C ZINC001316784238 872044053 /nfs/dbraw/zinc/04/40/53/872044053.db2.gz DVROYWCEQPZFOO-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H]1C ZINC001316784238 872044074 /nfs/dbraw/zinc/04/40/74/872044074.db2.gz DVROYWCEQPZFOO-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@@H]1C ZINC001316784238 872044096 /nfs/dbraw/zinc/04/40/96/872044096.db2.gz DVROYWCEQPZFOO-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@@H]1C ZINC001316784238 872044119 /nfs/dbraw/zinc/04/41/19/872044119.db2.gz DVROYWCEQPZFOO-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316953011 872455390 /nfs/dbraw/zinc/45/53/90/872455390.db2.gz JCLUWDHDAFNSHY-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001208355873 874051152 /nfs/dbraw/zinc/05/11/52/874051152.db2.gz IJEHSXWIUMVZBM-ZRJDUIELSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001208355873 874051164 /nfs/dbraw/zinc/05/11/64/874051164.db2.gz IJEHSXWIUMVZBM-ZRJDUIELSA-N 2 1 309.841 1.417 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242638 874753393 /nfs/dbraw/zinc/75/33/93/874753393.db2.gz NSIRIRSYNQVSDW-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242638 874753397 /nfs/dbraw/zinc/75/33/97/874753397.db2.gz NSIRIRSYNQVSDW-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210146302 875246561 /nfs/dbraw/zinc/24/65/61/875246561.db2.gz PCJGSCBWYOIDTJ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210634215 875466613 /nfs/dbraw/zinc/46/66/13/875466613.db2.gz LSANDXCXPUHIHX-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211176524 875696169 /nfs/dbraw/zinc/69/61/69/875696169.db2.gz LPBKGTHPGSAXCJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176524 875696178 /nfs/dbraw/zinc/69/61/78/875696178.db2.gz LPBKGTHPGSAXCJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855611 876482382 /nfs/dbraw/zinc/48/23/82/876482382.db2.gz IEMIZASBKBLXLU-KFWWJZLASA-N 2 1 302.422 1.773 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214850181 876482696 /nfs/dbraw/zinc/48/26/96/876482696.db2.gz QQVSIXTZXDODTG-IXDOHACOSA-N 2 1 305.466 1.424 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379347988 876883546 /nfs/dbraw/zinc/88/35/46/876883546.db2.gz LVRHYFMHCSYTJW-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC=C)C[C@H]21 ZINC001221626028 879972952 /nfs/dbraw/zinc/97/29/52/879972952.db2.gz MSZDAMCNGVSGGQ-FGTMMUONSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC=C)C[C@H]21 ZINC001221626028 879972962 /nfs/dbraw/zinc/97/29/62/879972962.db2.gz MSZDAMCNGVSGGQ-FGTMMUONSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC=C)C[C@H]21 ZINC001221626028 879972979 /nfs/dbraw/zinc/97/29/79/879972979.db2.gz MSZDAMCNGVSGGQ-FGTMMUONSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC=C)C[C@H]21 ZINC001221626028 879972995 /nfs/dbraw/zinc/97/29/95/879972995.db2.gz MSZDAMCNGVSGGQ-FGTMMUONSA-N 2 1 315.461 1.583 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001228853262 883699822 /nfs/dbraw/zinc/69/98/22/883699822.db2.gz QACCEOAEYCYSRE-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001277656292 886315319 /nfs/dbraw/zinc/31/53/19/886315319.db2.gz ZFLGLVGLSKCQAY-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277937228 888551595 /nfs/dbraw/zinc/55/15/95/888551595.db2.gz BOQJWDUJPUKXHT-PBHICJAKSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277937230 888553402 /nfs/dbraw/zinc/55/34/02/888553402.db2.gz BOQJWDUJPUKXHT-WMLDXEAASA-N 2 1 311.445 1.659 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001366174621 892653951 /nfs/dbraw/zinc/65/39/51/892653951.db2.gz YXLCBBXPNKPDSY-TXEJJXNPSA-N 2 1 318.259 1.474 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001278602241 894432089 /nfs/dbraw/zinc/43/20/89/894432089.db2.gz PQAJXFJTDQYQNQ-GDBMZVCRSA-N 2 1 323.400 1.389 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278663437 895114302 /nfs/dbraw/zinc/11/43/02/895114302.db2.gz KSTUJPLYXGWBNF-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C[C@@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252551154 895267767 /nfs/dbraw/zinc/26/77/67/895267767.db2.gz QVEALYAWDOQEKU-RCCFBDPRSA-N 2 1 308.466 1.746 20 30 DDEDMP C=C[C@@](C)(O)C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252551154 895267779 /nfs/dbraw/zinc/26/77/79/895267779.db2.gz QVEALYAWDOQEKU-RCCFBDPRSA-N 2 1 308.466 1.746 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252551154 895267792 /nfs/dbraw/zinc/26/77/92/895267792.db2.gz QVEALYAWDOQEKU-RCCFBDPRSA-N 2 1 308.466 1.746 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252551154 895267806 /nfs/dbraw/zinc/26/78/06/895267806.db2.gz QVEALYAWDOQEKU-RCCFBDPRSA-N 2 1 308.466 1.746 20 30 DDEDMP C=C[C@](C)(O)C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001252575901 895287443 /nfs/dbraw/zinc/28/74/43/895287443.db2.gz FSYILSDJSZFMCH-FHWLQOOXSA-N 2 1 321.509 1.852 20 30 DDEDMP C=CCC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001252615050 895317306 /nfs/dbraw/zinc/31/73/06/895317306.db2.gz UJAIBNDYGWOAJE-IBGZPJMESA-N 2 1 317.477 1.851 20 30 DDEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001278768303 896301551 /nfs/dbraw/zinc/30/15/51/896301551.db2.gz TXJFCUYIQVJKSB-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278787096 896465329 /nfs/dbraw/zinc/46/53/29/896465329.db2.gz NOFABOWSVSKJCH-CRAIPNDOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278787096 896465334 /nfs/dbraw/zinc/46/53/34/896465334.db2.gz NOFABOWSVSKJCH-CRAIPNDOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278787096 896465342 /nfs/dbraw/zinc/46/53/42/896465342.db2.gz NOFABOWSVSKJCH-CRAIPNDOSA-N 2 1 323.481 1.378 20 30 DDEDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254644576 896547269 /nfs/dbraw/zinc/54/72/69/896547269.db2.gz ZIYYUFIRLIJMHW-KBPBESRZSA-N 2 1 322.453 1.997 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001278978504 897640829 /nfs/dbraw/zinc/64/08/29/897640829.db2.gz JXYKQHSFQZPAFU-HOTGVXAUSA-N 2 1 307.482 1.861 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367856693 898046040 /nfs/dbraw/zinc/04/60/40/898046040.db2.gz NMNXXYXRIAZSCS-YOEHRIQHSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367856693 898046050 /nfs/dbraw/zinc/04/60/50/898046050.db2.gz NMNXXYXRIAZSCS-YOEHRIQHSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367856693 898046059 /nfs/dbraw/zinc/04/60/59/898046059.db2.gz NMNXXYXRIAZSCS-YOEHRIQHSA-N 2 1 314.433 1.446 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001263161033 900518916 /nfs/dbraw/zinc/51/89/16/900518916.db2.gz UJSRGXRJNBSJCO-BZUAXINKSA-N 2 1 321.465 1.430 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001263190735 900526773 /nfs/dbraw/zinc/52/67/73/900526773.db2.gz PLEIAIITXRQFPT-BBWFWOEESA-N 3 1 320.481 1.097 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC001263190735 900526782 /nfs/dbraw/zinc/52/67/82/900526782.db2.gz PLEIAIITXRQFPT-BBWFWOEESA-N 2 1 320.481 1.097 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC=C)C1 ZINC001263835459 900752260 /nfs/dbraw/zinc/75/22/60/900752260.db2.gz SXVIGRNBIICLGT-BBWFWOEESA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC=C)C1 ZINC001263835459 900752269 /nfs/dbraw/zinc/75/22/69/900752269.db2.gz SXVIGRNBIICLGT-BBWFWOEESA-N 2 1 303.450 1.535 20 30 DDEDMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001264108674 900940336 /nfs/dbraw/zinc/94/03/36/900940336.db2.gz QFCVOOWJAHINAI-HOTGVXAUSA-N 2 1 311.470 1.310 20 30 DDEDMP C=CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264108674 900940345 /nfs/dbraw/zinc/94/03/45/900940345.db2.gz QFCVOOWJAHINAI-HOTGVXAUSA-N 2 1 311.470 1.310 20 30 DDEDMP C=CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264108674 900940353 /nfs/dbraw/zinc/94/03/53/900940353.db2.gz QFCVOOWJAHINAI-HOTGVXAUSA-N 2 1 311.470 1.310 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001264195735 901014018 /nfs/dbraw/zinc/01/40/18/901014018.db2.gz YQZFLXQZSKQCJL-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001264645931 901247761 /nfs/dbraw/zinc/24/77/61/901247761.db2.gz XQJFRQAYGZTCRP-PMPSAXMXSA-N 2 1 309.429 1.080 20 30 DDEDMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001265813385 902430948 /nfs/dbraw/zinc/43/09/48/902430948.db2.gz PSMPWPRLWBMEOM-WBVHZDCISA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCC(C)C)CC1 ZINC001265978743 902694141 /nfs/dbraw/zinc/69/41/41/902694141.db2.gz WLQWBEZRHWXJOO-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266072531 902885010 /nfs/dbraw/zinc/88/50/10/902885010.db2.gz WTBIFYRGBYFJQP-IRXDYDNUSA-N 2 1 323.481 1.692 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391958951 902984716 /nfs/dbraw/zinc/98/47/16/902984716.db2.gz FWGZCBUVZOCLNJ-OAHLLOKOSA-N 2 1 316.449 1.740 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001316601941 903547736 /nfs/dbraw/zinc/54/77/36/903547736.db2.gz JXMNOJGHNRELSR-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001316601941 903547747 /nfs/dbraw/zinc/54/77/47/903547747.db2.gz JXMNOJGHNRELSR-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CO2 ZINC001280970165 904256362 /nfs/dbraw/zinc/25/63/62/904256362.db2.gz XPBLFPJLRPEKPN-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001281137012 904459473 /nfs/dbraw/zinc/45/94/73/904459473.db2.gz IBKAUUPLXUORPK-SJLPKXTDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001281529854 904979932 /nfs/dbraw/zinc/97/99/32/904979932.db2.gz BICJOIOSQUTVNU-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001281529854 904979946 /nfs/dbraw/zinc/97/99/46/904979946.db2.gz BICJOIOSQUTVNU-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001282780662 906030151 /nfs/dbraw/zinc/03/01/51/906030151.db2.gz CXYNKYPIPPYCRU-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001282780662 906030171 /nfs/dbraw/zinc/03/01/71/906030171.db2.gz CXYNKYPIPPYCRU-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001282780662 906030176 /nfs/dbraw/zinc/03/01/76/906030176.db2.gz CXYNKYPIPPYCRU-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001377221247 920678211 /nfs/dbraw/zinc/67/82/11/920678211.db2.gz GZYPTPUKUKQYGL-INIZCTEOSA-N 2 1 302.422 1.446 20 30 DDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083032215 353705044 /nfs/dbraw/zinc/70/50/44/353705044.db2.gz CCFGWHVUZBHEHT-OAHLLOKOSA-N 2 1 320.437 1.383 20 30 DDEDMP CN(CCC[N@@H+](C)CCc1ccc(C#N)cc1)CC[NH+](C)C ZINC000595489716 356515660 /nfs/dbraw/zinc/51/56/60/356515660.db2.gz NZDCGUQVZRMHPI-UHFFFAOYSA-N 2 1 302.466 1.916 20 30 DDEDMP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000598679729 357684221 /nfs/dbraw/zinc/68/42/21/357684221.db2.gz LRKWXSSVAJWQTK-MRXNPFEDSA-N 2 1 300.406 1.378 20 30 DDEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000598679729 357684225 /nfs/dbraw/zinc/68/42/25/357684225.db2.gz LRKWXSSVAJWQTK-MRXNPFEDSA-N 2 1 300.406 1.378 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000600719046 358294211 /nfs/dbraw/zinc/29/42/11/358294211.db2.gz BGHTZMZRXZKLSL-HNNXBMFYSA-N 2 1 307.438 1.276 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601664791 358644218 /nfs/dbraw/zinc/64/42/18/358644218.db2.gz QJZNBQGCWFVIFS-AWEZNQCLSA-N 2 1 306.454 1.459 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000601664791 358644221 /nfs/dbraw/zinc/64/42/21/358644221.db2.gz QJZNBQGCWFVIFS-AWEZNQCLSA-N 2 1 306.454 1.459 20 30 DDEDMP CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602334397 358935486 /nfs/dbraw/zinc/93/54/86/358935486.db2.gz RFWZNAJCPJDGRT-AEFFLSMTSA-N 2 1 314.433 1.469 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000602877827 359261177 /nfs/dbraw/zinc/26/11/77/359261177.db2.gz RUKSVDWMMSQVPW-INIZCTEOSA-N 2 1 304.438 1.213 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877840 359261403 /nfs/dbraw/zinc/26/14/03/359261403.db2.gz SNBYNAVBXMMOAV-MRXNPFEDSA-N 2 1 306.454 1.459 20 30 DDEDMP N#Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccn1 ZINC000610991816 360593813 /nfs/dbraw/zinc/59/38/13/360593813.db2.gz KQUFFHOIJCQWFT-UHFFFAOYSA-N 2 1 300.406 1.497 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000330177493 223083016 /nfs/dbraw/zinc/08/30/16/223083016.db2.gz KTFWWRBCMULYEF-ZIAGYGMSSA-N 2 1 305.426 1.576 20 30 DDEDMP OC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339745498 223272119 /nfs/dbraw/zinc/27/21/19/223272119.db2.gz FGUCUCBRHVYJFG-QZTJIDSGSA-N 2 1 308.466 1.179 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCCC(C)(C)C1 ZINC000262806136 285253757 /nfs/dbraw/zinc/25/37/57/285253757.db2.gz SEIOSRRXYDDQDF-PBHICJAKSA-N 2 1 310.486 1.706 20 30 DDEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCC#N ZINC000092821167 407192650 /nfs/dbraw/zinc/19/26/50/407192650.db2.gz RZOOFUAAGVABKT-UHFFFAOYSA-N 2 1 315.421 1.260 20 30 DDEDMP C=C(C)CS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000184414838 408610587 /nfs/dbraw/zinc/61/05/87/408610587.db2.gz VDNMOLCRDPETIF-HNNXBMFYSA-N 2 1 317.499 1.240 20 30 DDEDMP C=C(C)CS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000184414838 408610594 /nfs/dbraw/zinc/61/05/94/408610594.db2.gz VDNMOLCRDPETIF-HNNXBMFYSA-N 2 1 317.499 1.240 20 30 DDEDMP C#CCNC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292859920 409044015 /nfs/dbraw/zinc/04/40/15/409044015.db2.gz RKBTVPSNJVOBMK-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCNC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292859920 409044018 /nfs/dbraw/zinc/04/40/18/409044018.db2.gz RKBTVPSNJVOBMK-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCNC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292859920 409044021 /nfs/dbraw/zinc/04/40/21/409044021.db2.gz RKBTVPSNJVOBMK-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000295016594 409307369 /nfs/dbraw/zinc/30/73/69/409307369.db2.gz NECYTUXQCRGFDB-ZDUSSCGKSA-N 2 1 322.840 1.997 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000295016594 409307372 /nfs/dbraw/zinc/30/73/72/409307372.db2.gz NECYTUXQCRGFDB-ZDUSSCGKSA-N 2 1 322.840 1.997 20 30 DDEDMP CO[C@@H]1C[NH+](CC#CC[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000342138049 409566023 /nfs/dbraw/zinc/56/60/23/409566023.db2.gz SGNFGUMJKCUAQH-XMTFNYHQSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1C[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000342138049 409566031 /nfs/dbraw/zinc/56/60/31/409566031.db2.gz SGNFGUMJKCUAQH-XMTFNYHQSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1C[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000342138049 409566037 /nfs/dbraw/zinc/56/60/37/409566037.db2.gz SGNFGUMJKCUAQH-XMTFNYHQSA-N 2 1 308.466 1.703 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000246944525 222225671 /nfs/dbraw/zinc/22/56/71/222225671.db2.gz NRXWQDTVQPBBEB-DOTOQJQBSA-N 2 1 320.481 1.763 20 30 DDEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCOCC2)[C@H]1c1cccs1 ZINC000247078050 222227086 /nfs/dbraw/zinc/22/70/86/222227086.db2.gz PBIMRWWDCCVGDA-HIFRSBDPSA-N 2 1 322.478 1.778 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCSCC2)cn1 ZINC000261963656 222265479 /nfs/dbraw/zinc/26/54/79/222265479.db2.gz AHDWGYMXQKHAEY-UHFFFAOYSA-N 2 1 316.434 1.439 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262756590 222292312 /nfs/dbraw/zinc/29/23/12/222292312.db2.gz BRCLEPPOAJFFST-ARFHVFGLSA-N 2 1 322.497 1.839 20 30 DDEDMP C#C[C@@H](C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378065852 418718536 /nfs/dbraw/zinc/71/85/36/418718536.db2.gz DDSYCCVZVFEYHY-OAHLLOKOSA-N 2 1 320.481 1.504 20 30 DDEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)N(C)C ZINC000364249667 418774296 /nfs/dbraw/zinc/77/42/96/418774296.db2.gz HJUZHLSXXZYWRG-DZGCQCFKSA-N 2 1 306.458 1.282 20 30 DDEDMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CCOCC1 ZINC000373223785 418932617 /nfs/dbraw/zinc/93/26/17/418932617.db2.gz LEUWCCGRHMIYRK-VQHPVUNQSA-N 2 1 321.465 1.927 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424192491 420312459 /nfs/dbraw/zinc/31/24/59/420312459.db2.gz PATRFMDGMIAEEH-XUWVNRHRSA-N 2 1 306.454 1.871 20 30 DDEDMP C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527377477 421383750 /nfs/dbraw/zinc/38/37/50/421383750.db2.gz XBXMZWGABHCPEY-GJZGRUSLSA-N 2 1 318.465 1.791 20 30 DDEDMP C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000527377477 421383752 /nfs/dbraw/zinc/38/37/52/421383752.db2.gz XBXMZWGABHCPEY-GJZGRUSLSA-N 2 1 318.465 1.791 20 30 DDEDMP N#Cc1csc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000344272976 268320151 /nfs/dbraw/zinc/32/01/51/268320151.db2.gz JVKBZJSBSSDHCA-CYBMUJFWSA-N 2 1 306.435 1.297 20 30 DDEDMP N#Cc1csc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000344272976 268320152 /nfs/dbraw/zinc/32/01/52/268320152.db2.gz JVKBZJSBSSDHCA-CYBMUJFWSA-N 2 1 306.435 1.297 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2ccccc2n1C ZINC000264063441 276170709 /nfs/dbraw/zinc/17/07/09/276170709.db2.gz DHBQEKFISIRWAJ-CYBMUJFWSA-N 2 1 314.437 1.462 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267441000 277244407 /nfs/dbraw/zinc/24/44/07/277244407.db2.gz PDANOUJXCYDWDO-CYBMUJFWSA-N 2 1 304.438 1.025 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000341601370 526438828 /nfs/dbraw/zinc/43/88/28/526438828.db2.gz BSJPBBZFRBYSDM-XJKSGUPXSA-N 2 1 306.454 1.419 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000337198286 526482063 /nfs/dbraw/zinc/48/20/63/526482063.db2.gz YBJTYHDYHXCSKT-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000491654417 526811311 /nfs/dbraw/zinc/81/13/11/526811311.db2.gz FCYOWUMETFPFQB-QGZVFWFLSA-N 2 1 320.481 1.315 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000491210130 526826746 /nfs/dbraw/zinc/82/67/46/526826746.db2.gz QHLMTPDGQWQHJU-UHFFFAOYSA-N 2 1 300.450 1.591 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000491210130 526826751 /nfs/dbraw/zinc/82/67/51/526826751.db2.gz QHLMTPDGQWQHJU-UHFFFAOYSA-N 2 1 300.450 1.591 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000491727095 526830478 /nfs/dbraw/zinc/83/04/78/526830478.db2.gz KSUPXNCCIVJDFJ-KGLIPLIRSA-N 2 1 316.392 1.898 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000491727095 526830483 /nfs/dbraw/zinc/83/04/83/526830483.db2.gz KSUPXNCCIVJDFJ-KGLIPLIRSA-N 2 1 316.392 1.898 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977439503 696162643 /nfs/dbraw/zinc/16/26/43/696162643.db2.gz NCGGOJRIFSOQPJ-QGZVFWFLSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)CC2(C)C)CC1 ZINC000977654719 696245585 /nfs/dbraw/zinc/24/55/85/696245585.db2.gz MXKHWGNNIFHNJK-OAHLLOKOSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCF)CC2(C)C)CC1 ZINC000977654719 696245588 /nfs/dbraw/zinc/24/55/88/696245588.db2.gz MXKHWGNNIFHNJK-OAHLLOKOSA-N 2 1 309.429 1.128 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978611211 696423197 /nfs/dbraw/zinc/42/31/97/696423197.db2.gz CQYPHTIJDLGNCI-VQHPVUNQSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978611211 696423198 /nfs/dbraw/zinc/42/31/98/696423198.db2.gz CQYPHTIJDLGNCI-VQHPVUNQSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978611211 696423199 /nfs/dbraw/zinc/42/31/99/696423199.db2.gz CQYPHTIJDLGNCI-VQHPVUNQSA-N 2 1 305.466 1.588 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978640384 696431025 /nfs/dbraw/zinc/43/10/25/696431025.db2.gz LBEPINZINWTJCX-PHZGNYQRSA-N 2 1 317.433 1.825 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978803278 696461247 /nfs/dbraw/zinc/46/12/47/696461247.db2.gz YEWZAYPVLTUIAZ-FJIDUMEYSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978803278 696461248 /nfs/dbraw/zinc/46/12/48/696461248.db2.gz YEWZAYPVLTUIAZ-FJIDUMEYSA-N 2 1 317.477 1.567 20 30 DDEDMP C[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086883313 696566675 /nfs/dbraw/zinc/56/66/75/696566675.db2.gz GKLDFJVQGDDZAM-ZDUSSCGKSA-N 2 1 321.494 1.704 20 30 DDEDMP C[NH+]=C(NCCc1sc(C)nc1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000086883313 696566679 /nfs/dbraw/zinc/56/66/79/696566679.db2.gz GKLDFJVQGDDZAM-ZDUSSCGKSA-N 2 1 321.494 1.704 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980176909 696700914 /nfs/dbraw/zinc/70/09/14/696700914.db2.gz MIONMQSSOMMQDL-BBWFWOEESA-N 2 1 305.466 1.731 20 30 DDEDMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@]2(CCOC2)C1 ZINC000157945622 696983711 /nfs/dbraw/zinc/98/37/11/696983711.db2.gz FOLRMXJZXKMWKD-WMZOPIPTSA-N 2 1 322.497 1.939 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000981209965 697034765 /nfs/dbraw/zinc/03/47/65/697034765.db2.gz MZZNMLCBVSXFMM-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000981209965 697034768 /nfs/dbraw/zinc/03/47/68/697034768.db2.gz MZZNMLCBVSXFMM-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000981209965 697034770 /nfs/dbraw/zinc/03/47/70/697034770.db2.gz MZZNMLCBVSXFMM-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982148932 697042541 /nfs/dbraw/zinc/04/25/41/697042541.db2.gz CEIMMLBMXKPQDY-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982148932 697042543 /nfs/dbraw/zinc/04/25/43/697042543.db2.gz CEIMMLBMXKPQDY-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296069 697086010 /nfs/dbraw/zinc/08/60/10/697086010.db2.gz JDTKIISGSFVASQ-NXHRZFHOSA-N 2 1 303.450 1.130 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982797588 697180126 /nfs/dbraw/zinc/18/01/26/697180126.db2.gz GFQAYBQTVIEGGO-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982797588 697180128 /nfs/dbraw/zinc/18/01/28/697180128.db2.gz GFQAYBQTVIEGGO-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982797588 697180129 /nfs/dbraw/zinc/18/01/29/697180129.db2.gz GFQAYBQTVIEGGO-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982808832 697181393 /nfs/dbraw/zinc/18/13/93/697181393.db2.gz RRHZTBIJJFGXRA-CALCHBBNSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982808832 697181394 /nfs/dbraw/zinc/18/13/94/697181394.db2.gz RRHZTBIJJFGXRA-CALCHBBNSA-N 2 1 302.422 1.548 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985495755 697519868 /nfs/dbraw/zinc/51/98/68/697519868.db2.gz KJDASNOBPGYACM-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000985495755 697519869 /nfs/dbraw/zinc/51/98/69/697519869.db2.gz KJDASNOBPGYACM-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000985495755 697519871 /nfs/dbraw/zinc/51/98/71/697519871.db2.gz KJDASNOBPGYACM-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(Cl)CN(C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC000985770504 697570976 /nfs/dbraw/zinc/57/09/76/697570976.db2.gz TURIFLJNJFKPPU-UHFFFAOYSA-N 2 1 310.829 1.936 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000986960205 697960050 /nfs/dbraw/zinc/96/00/50/697960050.db2.gz OMUHDDYGAPNUTG-UKRRQHHQSA-N 2 1 318.421 1.649 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000987263534 698064868 /nfs/dbraw/zinc/06/48/68/698064868.db2.gz APBGOJSPVOBHFJ-CJNGLKHVSA-N 2 1 311.389 1.646 20 30 DDEDMP CCC[C@]1(C)CCCN(C(NC[C@H]2C[N@@H+](C)CCN2C)=[NH+]C)C1 ZINC000262045347 698452060 /nfs/dbraw/zinc/45/20/60/698452060.db2.gz YWEIOZJKZQDFTG-FUHWJXTLSA-N 2 1 323.529 1.710 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303769832 698605538 /nfs/dbraw/zinc/60/55/38/698605538.db2.gz BEZSSFPDODYNAU-HOTGVXAUSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cccc(C)c1 ZINC000303774961 698606352 /nfs/dbraw/zinc/60/63/52/698606352.db2.gz GLAGVNCQPRETOP-HNNXBMFYSA-N 2 1 304.438 1.762 20 30 DDEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])NCCc2cccs2)C[C@H](C)O1 ZINC000303785388 698606778 /nfs/dbraw/zinc/60/67/78/698606778.db2.gz QGDPDQRDCOKDAE-OKILXGFUSA-N 2 1 324.494 1.694 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991862023 699426271 /nfs/dbraw/zinc/42/62/71/699426271.db2.gz OFQYGQKGBCVVEZ-RDJZCZTQSA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991862023 699426273 /nfs/dbraw/zinc/42/62/73/699426273.db2.gz OFQYGQKGBCVVEZ-RDJZCZTQSA-N 2 1 302.422 1.881 20 30 DDEDMP COCC[N@@H+](Cc1ccncc1C#N)CC1CC[NH+](C)CC1 ZINC000879127359 706593915 /nfs/dbraw/zinc/59/39/15/706593915.db2.gz WNYSHQLSOHXLTQ-UHFFFAOYSA-N 2 1 302.422 1.743 20 30 DDEDMP COCC[N@H+](Cc1ccncc1C#N)CC1CC[NH+](C)CC1 ZINC000879127359 706593918 /nfs/dbraw/zinc/59/39/18/706593918.db2.gz WNYSHQLSOHXLTQ-UHFFFAOYSA-N 2 1 302.422 1.743 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000841387385 702432957 /nfs/dbraw/zinc/43/29/57/702432957.db2.gz SZKPYHGBWHSXFT-GOSISDBHSA-N 2 1 313.445 1.847 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cn1 ZINC000848408855 703547501 /nfs/dbraw/zinc/54/75/01/703547501.db2.gz CUAQJGAIIGKZCF-CQSZACIVSA-N 2 1 312.377 1.926 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664509 706757339 /nfs/dbraw/zinc/75/73/39/706757339.db2.gz FEKQEKNHPKLRNE-ZBFHGGJFSA-N 2 1 301.390 1.833 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000866664509 706757343 /nfs/dbraw/zinc/75/73/43/706757343.db2.gz FEKQEKNHPKLRNE-ZBFHGGJFSA-N 2 1 301.390 1.833 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000818612363 703941218 /nfs/dbraw/zinc/94/12/18/703941218.db2.gz XOHANZGMFVTFJN-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000818612363 703941220 /nfs/dbraw/zinc/94/12/20/703941220.db2.gz XOHANZGMFVTFJN-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000818612363 703941221 /nfs/dbraw/zinc/94/12/21/703941221.db2.gz XOHANZGMFVTFJN-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000818612363 703941223 /nfs/dbraw/zinc/94/12/23/703941223.db2.gz XOHANZGMFVTFJN-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876730018 705843992 /nfs/dbraw/zinc/84/39/92/705843992.db2.gz AMDHLOXANIJASW-MJBXVCDLSA-N 2 1 317.861 1.462 20 30 DDEDMP COCC[N@H+](Cc1cccc(C#N)n1)CC1CC[NH+](C)CC1 ZINC000877664847 706173603 /nfs/dbraw/zinc/17/36/03/706173603.db2.gz ZCGAEVNXGIHPKY-UHFFFAOYSA-N 2 1 302.422 1.743 20 30 DDEDMP N#Cc1ccc(C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)nc1 ZINC000879027350 706566341 /nfs/dbraw/zinc/56/63/41/706566341.db2.gz ZRYLZHZHQPXKDK-KRWDZBQOSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000838313483 707897681 /nfs/dbraw/zinc/89/76/81/707897681.db2.gz YSAHZZISVRFEIJ-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000883131576 707935526 /nfs/dbraw/zinc/93/55/26/707935526.db2.gz IYTMKQSMXBYURK-UHFFFAOYSA-N 2 1 319.424 1.707 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000883131576 707935530 /nfs/dbraw/zinc/93/55/30/707935530.db2.gz IYTMKQSMXBYURK-UHFFFAOYSA-N 2 1 319.424 1.707 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000912726324 713075862 /nfs/dbraw/zinc/07/58/62/713075862.db2.gz XQJWQZQMHYLICB-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000900050312 709276887 /nfs/dbraw/zinc/27/68/87/709276887.db2.gz DZYQQYPQWCTWNT-HUUCEWRRSA-N 2 1 311.470 1.498 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)CCC)C1 ZINC000890361531 709835216 /nfs/dbraw/zinc/83/52/16/709835216.db2.gz TXCLLXLGSBCJNM-OAHLLOKOSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC(C)(C)C[N@H+](C)CCC)C1 ZINC000890361531 709835219 /nfs/dbraw/zinc/83/52/19/709835219.db2.gz TXCLLXLGSBCJNM-OAHLLOKOSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+](C)CCC)C1 ZINC000890361531 709835224 /nfs/dbraw/zinc/83/52/24/709835224.db2.gz TXCLLXLGSBCJNM-OAHLLOKOSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+](C)CCC)C1 ZINC000890361531 709835226 /nfs/dbraw/zinc/83/52/26/709835226.db2.gz TXCLLXLGSBCJNM-OAHLLOKOSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000890370877 709843645 /nfs/dbraw/zinc/84/36/45/709843645.db2.gz IAXKPEPFPIVQNF-HRCADAONSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000890370877 709843649 /nfs/dbraw/zinc/84/36/49/709843649.db2.gz IAXKPEPFPIVQNF-HRCADAONSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000890370877 709843653 /nfs/dbraw/zinc/84/36/53/709843653.db2.gz IAXKPEPFPIVQNF-HRCADAONSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000890370877 709843656 /nfs/dbraw/zinc/84/36/56/709843656.db2.gz IAXKPEPFPIVQNF-HRCADAONSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)C2CC[NH+](CCC)CC2)C1 ZINC000890372382 709844749 /nfs/dbraw/zinc/84/47/49/709844749.db2.gz IJQDITCZYVNGNF-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)C2CC[NH+](CCC)CC2)C1 ZINC000890372382 709844754 /nfs/dbraw/zinc/84/47/54/709844754.db2.gz IJQDITCZYVNGNF-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)C2 ZINC000903776861 711276334 /nfs/dbraw/zinc/27/63/34/711276334.db2.gz XFMLHWPAOKYFEZ-HKUYNNGSSA-N 2 1 311.429 1.879 20 30 DDEDMP C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895160243 711436890 /nfs/dbraw/zinc/43/68/90/711436890.db2.gz LNAOGUOREPGOBR-UAGQMJEPSA-N 2 1 317.433 1.867 20 30 DDEDMP C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895160243 711436892 /nfs/dbraw/zinc/43/68/92/711436892.db2.gz LNAOGUOREPGOBR-UAGQMJEPSA-N 2 1 317.433 1.867 20 30 DDEDMP C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895160244 711436922 /nfs/dbraw/zinc/43/69/22/711436922.db2.gz LNAOGUOREPGOBR-USXIJHARSA-N 2 1 317.433 1.867 20 30 DDEDMP C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895160244 711436923 /nfs/dbraw/zinc/43/69/23/711436923.db2.gz LNAOGUOREPGOBR-USXIJHARSA-N 2 1 317.433 1.867 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000917889803 713518528 /nfs/dbraw/zinc/51/85/28/713518528.db2.gz HMRAPOYAESFEEO-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000921382839 713750340 /nfs/dbraw/zinc/75/03/40/713750340.db2.gz KRXUIVPKPHUROO-UKRRQHHQSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000963947748 717953324 /nfs/dbraw/zinc/95/33/24/717953324.db2.gz UKBGWBAJJSSIBW-LZZBAHKZSA-N 2 1 312.417 1.411 20 30 DDEDMP CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H]1CCC[NH2+]CC1 ZINC000923336073 714319534 /nfs/dbraw/zinc/31/95/34/714319534.db2.gz PVCIMTBEQPGWFA-SJORKVTESA-N 2 1 317.433 1.762 20 30 DDEDMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933748892 714662587 /nfs/dbraw/zinc/66/25/87/714662587.db2.gz WIUNXNDHMFCZKZ-RYRKJORJSA-N 2 1 315.417 1.181 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933748892 714662588 /nfs/dbraw/zinc/66/25/88/714662588.db2.gz WIUNXNDHMFCZKZ-RYRKJORJSA-N 2 1 315.417 1.181 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933748892 714662589 /nfs/dbraw/zinc/66/25/89/714662589.db2.gz WIUNXNDHMFCZKZ-RYRKJORJSA-N 2 1 315.417 1.181 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933748892 714662590 /nfs/dbraw/zinc/66/25/90/714662590.db2.gz WIUNXNDHMFCZKZ-RYRKJORJSA-N 2 1 315.417 1.181 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925635640 714904639 /nfs/dbraw/zinc/90/46/39/714904639.db2.gz SZWHMCRCDIBXRR-GJZGRUSLSA-N 2 1 300.468 1.345 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756522 716946558 /nfs/dbraw/zinc/94/65/58/716946558.db2.gz ADRWCJXJGHIJCK-GVDBMIGSSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756522 716946560 /nfs/dbraw/zinc/94/65/60/716946560.db2.gz ADRWCJXJGHIJCK-GVDBMIGSSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756522 716946561 /nfs/dbraw/zinc/94/65/61/716946561.db2.gz ADRWCJXJGHIJCK-GVDBMIGSSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026463 717079085 /nfs/dbraw/zinc/07/90/85/717079085.db2.gz KMAONTWSRPJBKP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026463 717079087 /nfs/dbraw/zinc/07/90/87/717079087.db2.gz KMAONTWSRPJBKP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026463 717079090 /nfs/dbraw/zinc/07/90/90/717079090.db2.gz KMAONTWSRPJBKP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000962277632 717385139 /nfs/dbraw/zinc/38/51/39/717385139.db2.gz ZIFLEOQVTKPCEJ-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962277632 717385143 /nfs/dbraw/zinc/38/51/43/717385143.db2.gz ZIFLEOQVTKPCEJ-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962277632 717385149 /nfs/dbraw/zinc/38/51/49/717385149.db2.gz ZIFLEOQVTKPCEJ-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947852448 719290228 /nfs/dbraw/zinc/29/02/28/719290228.db2.gz JRDIILMBGHKMIP-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)[C@H](C)C2)CC1 ZINC000948070370 719349435 /nfs/dbraw/zinc/34/94/35/719349435.db2.gz ORCHRTXPGUKKSC-SJLPKXTDSA-N 2 1 317.477 1.877 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968796233 719792171 /nfs/dbraw/zinc/79/21/71/719792171.db2.gz GICNLHQZKRZFDL-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968796233 719792179 /nfs/dbraw/zinc/79/21/79/719792179.db2.gz GICNLHQZKRZFDL-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796233 719792184 /nfs/dbraw/zinc/79/21/84/719792184.db2.gz GICNLHQZKRZFDL-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796233 719792189 /nfs/dbraw/zinc/79/21/89/719792189.db2.gz GICNLHQZKRZFDL-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153787 719980003 /nfs/dbraw/zinc/98/00/03/719980003.db2.gz OWPNPRDLEXRSJD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153787 719980005 /nfs/dbraw/zinc/98/00/05/719980005.db2.gz OWPNPRDLEXRSJD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153787 719980007 /nfs/dbraw/zinc/98/00/07/719980007.db2.gz OWPNPRDLEXRSJD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153787 719980010 /nfs/dbraw/zinc/98/00/10/719980010.db2.gz OWPNPRDLEXRSJD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCN1CC([C@@H](C)NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000969719244 720263540 /nfs/dbraw/zinc/26/35/40/720263540.db2.gz ZJTNNWHDFQMUMR-MLGOLLRUSA-N 2 1 317.437 1.413 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969864871 720540518 /nfs/dbraw/zinc/54/05/18/720540518.db2.gz HJRNZEUQXAHMLU-YOEHRIQHSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC2CC2)C1 ZINC000969864871 720540521 /nfs/dbraw/zinc/54/05/21/720540521.db2.gz HJRNZEUQXAHMLU-YOEHRIQHSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405824 732466131 /nfs/dbraw/zinc/46/61/31/732466131.db2.gz OFEPHFFMFRJXMP-HTWSVDAQSA-N 2 1 317.477 1.901 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001098533126 732836188 /nfs/dbraw/zinc/83/61/88/732836188.db2.gz UAGJPSWEFMZSJH-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533126 732836192 /nfs/dbraw/zinc/83/61/92/732836192.db2.gz UAGJPSWEFMZSJH-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001098533126 732836193 /nfs/dbraw/zinc/83/61/93/732836193.db2.gz UAGJPSWEFMZSJH-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167235927 732851144 /nfs/dbraw/zinc/85/11/44/732851144.db2.gz DGWZICXMTDTTCP-OAHLLOKOSA-N 2 1 314.433 1.263 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021053238 732918484 /nfs/dbraw/zinc/91/84/84/732918484.db2.gz KUTAAKAFFCIBOW-QAQDUYKDSA-N 2 1 323.400 1.500 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291631 733290951 /nfs/dbraw/zinc/29/09/51/733290951.db2.gz QOTLUWADLAALTH-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757518 733291702 /nfs/dbraw/zinc/29/17/02/733291702.db2.gz XUDLHUQZRQMFSH-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605453 733364238 /nfs/dbraw/zinc/36/42/38/733364238.db2.gz MCTJJZMWHZOXSM-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346939 733599736 /nfs/dbraw/zinc/59/97/36/733599736.db2.gz LVPQKVUNVUTACQ-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346939 733599738 /nfs/dbraw/zinc/59/97/38/733599738.db2.gz LVPQKVUNVUTACQ-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027889969 738777412 /nfs/dbraw/zinc/77/74/12/738777412.db2.gz LQBTUFWJTJOONN-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372555 735203210 /nfs/dbraw/zinc/20/32/10/735203210.db2.gz VEAIZVZBUASDNS-NVXWUHKLSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC001035254720 751361144 /nfs/dbraw/zinc/36/11/44/751361144.db2.gz CBTPTHIXUMEMSV-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035254720 751361151 /nfs/dbraw/zinc/36/11/51/751361151.db2.gz CBTPTHIXUMEMSV-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)CC2 ZINC001035254720 751361160 /nfs/dbraw/zinc/36/11/60/751361160.db2.gz CBTPTHIXUMEMSV-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)CC2 ZINC001035254720 751361168 /nfs/dbraw/zinc/36/11/68/751361168.db2.gz CBTPTHIXUMEMSV-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516397 735894686 /nfs/dbraw/zinc/89/46/86/735894686.db2.gz JYNYCJQHPBTUEI-GJZGRUSLSA-N 2 1 302.422 1.602 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557456 735933797 /nfs/dbraw/zinc/93/37/97/735933797.db2.gz UJOPKOPPODYXCS-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317100 736079911 /nfs/dbraw/zinc/07/99/11/736079911.db2.gz CQCRYXCRQZNVBQ-NXHRZFHOSA-N 2 1 317.477 1.711 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001020026232 736981551 /nfs/dbraw/zinc/98/15/51/736981551.db2.gz MHRQPMMPIZESJC-BRWVUGGUSA-N 2 1 312.417 1.389 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099854 737116661 /nfs/dbraw/zinc/11/66/61/737116661.db2.gz ITCVDEWZXKAXIR-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099854 737116663 /nfs/dbraw/zinc/11/66/63/737116663.db2.gz ITCVDEWZXKAXIR-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099854 737116665 /nfs/dbraw/zinc/11/66/65/737116665.db2.gz ITCVDEWZXKAXIR-UUAJXVIYSA-N 2 1 301.434 1.073 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001027468291 738321652 /nfs/dbraw/zinc/32/16/52/738321652.db2.gz AXSFMRWIPOHHSQ-LSDHHAIUSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027468291 738321655 /nfs/dbraw/zinc/32/16/55/738321655.db2.gz AXSFMRWIPOHHSQ-LSDHHAIUSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027468291 738321659 /nfs/dbraw/zinc/32/16/59/738321659.db2.gz AXSFMRWIPOHHSQ-LSDHHAIUSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587238 739701561 /nfs/dbraw/zinc/70/15/61/739701561.db2.gz HXBPAENMHRKZKV-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587238 739701563 /nfs/dbraw/zinc/70/15/63/739701563.db2.gz HXBPAENMHRKZKV-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587238 739701564 /nfs/dbraw/zinc/70/15/64/739701564.db2.gz HXBPAENMHRKZKV-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001029003624 740248630 /nfs/dbraw/zinc/24/86/30/740248630.db2.gz OISKGQCXFZSVMG-JKSUJKDBSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001029004433 740249786 /nfs/dbraw/zinc/24/97/86/740249786.db2.gz XHEDNCBOBWWMEH-NVXWUHKLSA-N 2 1 323.456 1.518 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035537067 751583050 /nfs/dbraw/zinc/58/30/50/751583050.db2.gz LCMNHYYZBFKYPQ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035537067 751583054 /nfs/dbraw/zinc/58/30/54/751583054.db2.gz LCMNHYYZBFKYPQ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537067 751583062 /nfs/dbraw/zinc/58/30/62/751583062.db2.gz LCMNHYYZBFKYPQ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537067 751583066 /nfs/dbraw/zinc/58/30/66/751583066.db2.gz LCMNHYYZBFKYPQ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087995224 740934767 /nfs/dbraw/zinc/93/47/67/740934767.db2.gz ZPUKXRASRQVMCT-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087995224 740934769 /nfs/dbraw/zinc/93/47/69/740934769.db2.gz ZPUKXRASRQVMCT-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087995224 740934770 /nfs/dbraw/zinc/93/47/70/740934770.db2.gz ZPUKXRASRQVMCT-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC001029597230 741131479 /nfs/dbraw/zinc/13/14/79/741131479.db2.gz NAVIUEHCARYHIW-CALCHBBNSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574719 741862268 /nfs/dbraw/zinc/86/22/68/741862268.db2.gz MAVJTXCEPRKRAB-CABCVRRESA-N 2 1 319.453 1.213 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040245572 742200364 /nfs/dbraw/zinc/20/03/64/742200364.db2.gz UNVLHSDGRKITBX-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040245572 742200367 /nfs/dbraw/zinc/20/03/67/742200367.db2.gz UNVLHSDGRKITBX-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040245572 742200369 /nfs/dbraw/zinc/20/03/69/742200369.db2.gz UNVLHSDGRKITBX-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040245572 742200374 /nfs/dbraw/zinc/20/03/74/742200374.db2.gz UNVLHSDGRKITBX-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040245572 742200378 /nfs/dbraw/zinc/20/03/78/742200378.db2.gz UNVLHSDGRKITBX-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244720 742624087 /nfs/dbraw/zinc/62/40/87/742624087.db2.gz WLCLWXHKVPTUTM-HDMKZQKVSA-N 2 1 323.456 1.918 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244720 742624088 /nfs/dbraw/zinc/62/40/88/742624088.db2.gz WLCLWXHKVPTUTM-HDMKZQKVSA-N 2 1 323.456 1.918 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001076365500 742689397 /nfs/dbraw/zinc/68/93/97/742689397.db2.gz AOTVTPOQAHUMGO-ZWKOTPCHSA-N 2 1 311.429 1.528 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576425 742799827 /nfs/dbraw/zinc/79/98/27/742799827.db2.gz KKMHHLAVXGZNPI-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576425 742799831 /nfs/dbraw/zinc/79/98/31/742799831.db2.gz KKMHHLAVXGZNPI-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035709199 751796390 /nfs/dbraw/zinc/79/63/90/751796390.db2.gz SESCBFGNNIHHNF-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181670466 743295497 /nfs/dbraw/zinc/29/54/97/743295497.db2.gz AIYJIKMRHJNZRW-ZHALLVOQSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035742387 751836112 /nfs/dbraw/zinc/83/61/12/751836112.db2.gz WMCVIRITGHLARN-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001151162275 743583831 /nfs/dbraw/zinc/58/38/31/743583831.db2.gz XOQANHJGHGERSE-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001182719039 743696870 /nfs/dbraw/zinc/69/68/70/743696870.db2.gz MFZWGSCZFOEESG-CZUORRHYSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001182719039 743696874 /nfs/dbraw/zinc/69/68/74/743696874.db2.gz MFZWGSCZFOEESG-CZUORRHYSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165129 743796522 /nfs/dbraw/zinc/79/65/22/743796522.db2.gz OEIRPHYCLSLHBI-SOLBZPMBSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035778137 751893817 /nfs/dbraw/zinc/89/38/17/751893817.db2.gz BLSAPVPKYXEODO-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188112913 744662134 /nfs/dbraw/zinc/66/21/34/744662134.db2.gz QROQMFIWYVBMKI-HRCADAONSA-N 2 1 311.445 1.775 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992429036 744871404 /nfs/dbraw/zinc/87/14/04/744871404.db2.gz MIDFWAIXKOKAIY-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992429036 744871407 /nfs/dbraw/zinc/87/14/07/744871407.db2.gz MIDFWAIXKOKAIY-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992429036 744871410 /nfs/dbraw/zinc/87/14/10/744871410.db2.gz MIDFWAIXKOKAIY-SOLBZPMBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675363 745293753 /nfs/dbraw/zinc/29/37/53/745293753.db2.gz LJNHOBJUZNDQSN-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675363 745293755 /nfs/dbraw/zinc/29/37/55/745293755.db2.gz LJNHOBJUZNDQSN-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675363 745293757 /nfs/dbraw/zinc/29/37/57/745293757.db2.gz LJNHOBJUZNDQSN-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192849261 745915730 /nfs/dbraw/zinc/91/57/30/745915730.db2.gz ZRXDLTSPUUMZSF-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001192977439 745953009 /nfs/dbraw/zinc/95/30/09/745953009.db2.gz GDYYJGXSSZZKJO-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077944 745970337 /nfs/dbraw/zinc/97/03/37/745970337.db2.gz PAHVXOJNIBSHQK-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194153088 746292756 /nfs/dbraw/zinc/29/27/56/746292756.db2.gz BALKXAPGJIXITM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194153088 746292760 /nfs/dbraw/zinc/29/27/60/746292760.db2.gz BALKXAPGJIXITM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194153088 746292764 /nfs/dbraw/zinc/29/27/64/746292764.db2.gz BALKXAPGJIXITM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194153088 746292767 /nfs/dbraw/zinc/29/27/67/746292767.db2.gz BALKXAPGJIXITM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194247315 746319708 /nfs/dbraw/zinc/31/97/08/746319708.db2.gz WKWCUFQWYLAPMA-KRWDZBQOSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001194246868 746320192 /nfs/dbraw/zinc/32/01/92/746320192.db2.gz SBGQOUYRVHXZLS-DLBZAZTESA-N 2 1 323.456 1.612 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994074002 746442045 /nfs/dbraw/zinc/44/20/45/746442045.db2.gz BCNZGDRYZGMLEF-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC#CC)[C@@H]2C)CC1 ZINC000994491976 746689820 /nfs/dbraw/zinc/68/98/20/746689820.db2.gz AZQZHKVIAZMOQV-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198004130 747332374 /nfs/dbraw/zinc/33/23/74/747332374.db2.gz VRKOSSQANDOVJC-BZUAXINKSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198004130 747332381 /nfs/dbraw/zinc/33/23/81/747332381.db2.gz VRKOSSQANDOVJC-BZUAXINKSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198004130 747332386 /nfs/dbraw/zinc/33/23/86/747332386.db2.gz VRKOSSQANDOVJC-BZUAXINKSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668829 747352065 /nfs/dbraw/zinc/35/20/65/747352065.db2.gz PSXDPFCAWUFRFT-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127674544 748111324 /nfs/dbraw/zinc/11/13/24/748111324.db2.gz JIUXZZQYPIYKBD-CQSZACIVSA-N 2 1 308.426 1.305 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115278 748127004 /nfs/dbraw/zinc/12/70/04/748127004.db2.gz KUTXGVXPHKVZMM-KGLIPLIRSA-N 2 1 315.845 1.040 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)CC[N@H+]1C ZINC001127685441 748145382 /nfs/dbraw/zinc/14/53/82/748145382.db2.gz OFLCWRGEFDVJLA-IUODEOHRSA-N 2 1 318.396 1.243 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)CC[N@H+]1C ZINC001127690561 748192968 /nfs/dbraw/zinc/19/29/68/748192968.db2.gz OIFGLFYUESEFSK-IUODEOHRSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053550 748408328 /nfs/dbraw/zinc/40/83/28/748408328.db2.gz SJYLJBDSIGFLFA-GOSISDBHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004548104 748539990 /nfs/dbraw/zinc/53/99/90/748539990.db2.gz PVQSQENWUDSDFN-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004548104 748539993 /nfs/dbraw/zinc/53/99/93/748539993.db2.gz PVQSQENWUDSDFN-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039011 748801320 /nfs/dbraw/zinc/80/13/20/748801320.db2.gz LIBQNOIXGUMSIX-KBAYOESNSA-N 2 1 313.445 1.607 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995918681 749289268 /nfs/dbraw/zinc/28/92/68/749289268.db2.gz OYKGMAYOBCYJRL-KGLIPLIRSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894938 749411661 /nfs/dbraw/zinc/41/16/61/749411661.db2.gz YIWXFASANDFWPT-HZMVEIRTSA-N 2 1 315.461 1.437 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518999 749651708 /nfs/dbraw/zinc/65/17/08/749651708.db2.gz MBFDLZQYHCKSQI-ZIAGYGMSSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCc3ncc[nH]3)CCC[C@@H]12 ZINC001107386198 749889790 /nfs/dbraw/zinc/88/97/90/749889790.db2.gz KCIUPVUUBJQFBZ-CRAIPNDOSA-N 2 1 314.433 1.726 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095529189 750013375 /nfs/dbraw/zinc/01/33/75/750013375.db2.gz HFPOBIDNGCUMAJ-NCOADZHNSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095529189 750013380 /nfs/dbraw/zinc/01/33/80/750013380.db2.gz HFPOBIDNGCUMAJ-NCOADZHNSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095529189 750013385 /nfs/dbraw/zinc/01/33/85/750013385.db2.gz HFPOBIDNGCUMAJ-NCOADZHNSA-N 2 1 305.466 1.872 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521347 750083618 /nfs/dbraw/zinc/08/36/18/750083618.db2.gz YLDZSCLYTDHBSA-SJLPKXTDSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048676 750316920 /nfs/dbraw/zinc/31/69/20/750316920.db2.gz RZKKJRYGYJISPT-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048676 750316928 /nfs/dbraw/zinc/31/69/28/750316928.db2.gz RZKKJRYGYJISPT-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048676 750316935 /nfs/dbraw/zinc/31/69/35/750316935.db2.gz RZKKJRYGYJISPT-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034048676 750316951 /nfs/dbraw/zinc/31/69/51/750316951.db2.gz RZKKJRYGYJISPT-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048676 750316955 /nfs/dbraw/zinc/31/69/55/750316955.db2.gz RZKKJRYGYJISPT-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C2 ZINC001111127486 750381611 /nfs/dbraw/zinc/38/16/11/750381611.db2.gz FNLXWGYFRDKJDA-XZDPQHSOSA-N 2 1 300.406 1.333 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034535004 750535648 /nfs/dbraw/zinc/53/56/48/750535648.db2.gz QTGJMXGVYZDFCI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535004 750535649 /nfs/dbraw/zinc/53/56/49/750535649.db2.gz QTGJMXGVYZDFCI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535004 750535657 /nfs/dbraw/zinc/53/56/57/750535657.db2.gz QTGJMXGVYZDFCI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535004 750535662 /nfs/dbraw/zinc/53/56/62/750535662.db2.gz QTGJMXGVYZDFCI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC2(CCOCC2)C1 ZINC001099594916 750824042 /nfs/dbraw/zinc/82/40/42/750824042.db2.gz NUJGFBFSRBLPJF-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC2(CCOCC2)C1 ZINC001099594916 750824044 /nfs/dbraw/zinc/82/40/44/750824044.db2.gz NUJGFBFSRBLPJF-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC2(CCOCC2)C1 ZINC001099594916 750824051 /nfs/dbraw/zinc/82/40/51/750824051.db2.gz NUJGFBFSRBLPJF-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107953381 750851097 /nfs/dbraw/zinc/85/10/97/750851097.db2.gz ZODBHWPSPPOSJE-JZXOWHBKSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953381 750851107 /nfs/dbraw/zinc/85/11/07/750851107.db2.gz ZODBHWPSPPOSJE-JZXOWHBKSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953381 750851115 /nfs/dbraw/zinc/85/11/15/750851115.db2.gz ZODBHWPSPPOSJE-JZXOWHBKSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997624596 751165129 /nfs/dbraw/zinc/16/51/29/751165129.db2.gz VRECFGRHYRNZBQ-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1 ZINC000997624596 751165133 /nfs/dbraw/zinc/16/51/33/751165133.db2.gz VRECFGRHYRNZBQ-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC1CC[NH+](C)CC1)CC2 ZINC001035233410 751317865 /nfs/dbraw/zinc/31/78/65/751317865.db2.gz CJRRBBVIJIZKIR-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001009631428 753289605 /nfs/dbraw/zinc/28/96/05/753289605.db2.gz YIZIBIDJRXHMNF-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107997982 753394387 /nfs/dbraw/zinc/39/43/87/753394387.db2.gz GJIJBKDMZOUKOT-SJLPKXTDSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108180192 753570759 /nfs/dbraw/zinc/57/07/59/753570759.db2.gz CICLHSJLXXTTPX-SFHVURJKSA-N 2 1 323.481 1.502 20 30 DDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1)C2 ZINC001169108039 762254520 /nfs/dbraw/zinc/25/45/20/762254520.db2.gz NBQJIBWQFZJDAQ-BTTYYORXSA-N 2 1 321.446 1.421 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040110672 762389304 /nfs/dbraw/zinc/38/93/04/762389304.db2.gz WIGRDJVDKMMMQN-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040110672 762389311 /nfs/dbraw/zinc/38/93/11/762389311.db2.gz WIGRDJVDKMMMQN-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001040110672 762389317 /nfs/dbraw/zinc/38/93/17/762389317.db2.gz WIGRDJVDKMMMQN-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789431 755574336 /nfs/dbraw/zinc/57/43/36/755574336.db2.gz DVEXWXVFHNPUBZ-UKRRQHHQSA-N 2 1 319.474 1.883 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001079789431 755574339 /nfs/dbraw/zinc/57/43/39/755574339.db2.gz DVEXWXVFHNPUBZ-UKRRQHHQSA-N 2 1 319.474 1.883 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241726 762454598 /nfs/dbraw/zinc/45/45/98/762454598.db2.gz RXFRDLNVYKTJCT-WMZOPIPTSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244246 762455788 /nfs/dbraw/zinc/45/57/88/762455788.db2.gz HYENBAIHYVEANP-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244246 762455790 /nfs/dbraw/zinc/45/57/90/762455790.db2.gz HYENBAIHYVEANP-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244246 762455792 /nfs/dbraw/zinc/45/57/92/762455792.db2.gz HYENBAIHYVEANP-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001016333842 756933480 /nfs/dbraw/zinc/93/34/80/756933480.db2.gz ZHWOMPFUPFGVNL-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380424 762516472 /nfs/dbraw/zinc/51/64/72/762516472.db2.gz QYZDYFORQTVKOI-AEFFLSMTSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040380425 762516942 /nfs/dbraw/zinc/51/69/42/762516942.db2.gz QYZDYFORQTVKOI-SJLPKXTDSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016735067 757307366 /nfs/dbraw/zinc/30/73/66/757307366.db2.gz ZWZFXAVQGJRJIW-OAHLLOKOSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097725659 757426128 /nfs/dbraw/zinc/42/61/28/757426128.db2.gz CQZODCBKWWMYRS-SRABZTEZSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097725659 757426135 /nfs/dbraw/zinc/42/61/35/757426135.db2.gz CQZODCBKWWMYRS-SRABZTEZSA-N 2 1 314.433 1.661 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CCC)[C@@H]2C1 ZINC001084389039 757547732 /nfs/dbraw/zinc/54/77/32/757547732.db2.gz PTWYKLWHUCFMLH-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084389039 757547741 /nfs/dbraw/zinc/54/77/41/757547741.db2.gz PTWYKLWHUCFMLH-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389039 757547745 /nfs/dbraw/zinc/54/77/45/757547745.db2.gz PTWYKLWHUCFMLH-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389039 757547753 /nfs/dbraw/zinc/54/77/53/757547753.db2.gz PTWYKLWHUCFMLH-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084389271 757548495 /nfs/dbraw/zinc/54/84/95/757548495.db2.gz ZQQRCXWKKNWVPP-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389271 757548502 /nfs/dbraw/zinc/54/85/02/757548502.db2.gz ZQQRCXWKKNWVPP-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389271 757548510 /nfs/dbraw/zinc/54/85/10/757548510.db2.gz ZQQRCXWKKNWVPP-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484431 757606703 /nfs/dbraw/zinc/60/67/03/757606703.db2.gz VBASOCFLKSTGLG-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001084484431 757606709 /nfs/dbraw/zinc/60/67/09/757606709.db2.gz VBASOCFLKSTGLG-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607276 757705641 /nfs/dbraw/zinc/70/56/41/757705641.db2.gz QOIKATABFGQIAD-BRWVUGGUSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607276 757705651 /nfs/dbraw/zinc/70/56/51/757705651.db2.gz QOIKATABFGQIAD-BRWVUGGUSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607276 757705658 /nfs/dbraw/zinc/70/56/58/757705658.db2.gz QOIKATABFGQIAD-BRWVUGGUSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607276 757705669 /nfs/dbraw/zinc/70/56/69/757705669.db2.gz QOIKATABFGQIAD-BRWVUGGUSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084739018 757851312 /nfs/dbraw/zinc/85/13/12/757851312.db2.gz NVFPZMKPIPVXDS-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040530133 762579694 /nfs/dbraw/zinc/57/96/94/762579694.db2.gz UTNIXYWOWXBYLQ-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040530133 762579696 /nfs/dbraw/zinc/57/96/96/762579696.db2.gz UTNIXYWOWXBYLQ-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040530133 762579701 /nfs/dbraw/zinc/57/97/01/762579701.db2.gz UTNIXYWOWXBYLQ-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040747712 762670640 /nfs/dbraw/zinc/67/06/40/762670640.db2.gz UWWDSURINNITMW-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145329 759221842 /nfs/dbraw/zinc/22/18/42/759221842.db2.gz NMXRLPQJYNWKAP-IEBWSBKVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153442 759235645 /nfs/dbraw/zinc/23/56/45/759235645.db2.gz QXVSCSCXMOZANS-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153442 759235651 /nfs/dbraw/zinc/23/56/51/759235651.db2.gz QXVSCSCXMOZANS-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153442 759235654 /nfs/dbraw/zinc/23/56/54/759235654.db2.gz QXVSCSCXMOZANS-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153671 759235826 /nfs/dbraw/zinc/23/58/26/759235826.db2.gz WILJYUMAIXEAJM-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153671 759235833 /nfs/dbraw/zinc/23/58/33/759235833.db2.gz WILJYUMAIXEAJM-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054153671 759235837 /nfs/dbraw/zinc/23/58/37/759235837.db2.gz WILJYUMAIXEAJM-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001252765 762698578 /nfs/dbraw/zinc/69/85/78/762698578.db2.gz OSPXGUNQPZAVLI-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001252765 762698582 /nfs/dbraw/zinc/69/85/82/762698582.db2.gz OSPXGUNQPZAVLI-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001252765 762698585 /nfs/dbraw/zinc/69/85/85/762698585.db2.gz OSPXGUNQPZAVLI-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191770 759277361 /nfs/dbraw/zinc/27/73/61/759277361.db2.gz MBEHZRBKYWXFIC-SJLPKXTDSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001019285369 759764352 /nfs/dbraw/zinc/76/43/52/759764352.db2.gz JVHJHXGXZAGTIK-UONOGXRCSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001019285369 759764359 /nfs/dbraw/zinc/76/43/59/759764359.db2.gz JVHJHXGXZAGTIK-UONOGXRCSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001054913026 760180622 /nfs/dbraw/zinc/18/06/22/760180622.db2.gz ZTVNTWSVTYOQOE-HOCLYGCPSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820230 760296316 /nfs/dbraw/zinc/29/63/16/760296316.db2.gz ULDPQSDPUFQFQX-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820230 760296326 /nfs/dbraw/zinc/29/63/26/760296326.db2.gz ULDPQSDPUFQFQX-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817361 760298201 /nfs/dbraw/zinc/29/82/01/760298201.db2.gz WEJJCJYYZZWROI-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817361 760298205 /nfs/dbraw/zinc/29/82/05/760298205.db2.gz WEJJCJYYZZWROI-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046851072 767983826 /nfs/dbraw/zinc/98/38/26/767983826.db2.gz CDUCJHHHFNWQML-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046851072 767983830 /nfs/dbraw/zinc/98/38/30/767983830.db2.gz CDUCJHHHFNWQML-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046851072 767983832 /nfs/dbraw/zinc/98/38/32/767983832.db2.gz CDUCJHHHFNWQML-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046851072 767983836 /nfs/dbraw/zinc/98/38/36/767983836.db2.gz CDUCJHHHFNWQML-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001086110078 760995727 /nfs/dbraw/zinc/99/57/27/760995727.db2.gz SLOJDTUQMISESP-BBWFWOEESA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001086110078 760995734 /nfs/dbraw/zinc/99/57/34/760995734.db2.gz SLOJDTUQMISESP-BBWFWOEESA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387096 761526972 /nfs/dbraw/zinc/52/69/72/761526972.db2.gz RMOAKIPIPIEELW-BFYDXBDKSA-N 2 1 303.450 1.511 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000258593 761606452 /nfs/dbraw/zinc/60/64/52/761606452.db2.gz CWXWPPTZUUYNSE-RDJZCZTQSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000262623 761607449 /nfs/dbraw/zinc/60/74/49/761607449.db2.gz ZWTCLAVUJYMULA-WBVHZDCISA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039126083 761763042 /nfs/dbraw/zinc/76/30/42/761763042.db2.gz IJYVXZYPJWPOBL-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039126083 761763045 /nfs/dbraw/zinc/76/30/45/761763045.db2.gz IJYVXZYPJWPOBL-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039126083 761763047 /nfs/dbraw/zinc/76/30/47/761763047.db2.gz IJYVXZYPJWPOBL-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040848266 762704280 /nfs/dbraw/zinc/70/42/80/762704280.db2.gz HFKUOVLZPAPUAM-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848840 762705193 /nfs/dbraw/zinc/70/51/93/762705193.db2.gz MGFKEFYGSUTHJZ-IRXDYDNUSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCCn1cc[nH+]c1C)C2 ZINC001108777840 762919905 /nfs/dbraw/zinc/91/99/05/762919905.db2.gz HFLUEZJNQCFZRJ-ULQDDVLXSA-N 2 1 314.433 1.574 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765084 762925460 /nfs/dbraw/zinc/92/54/60/762925460.db2.gz JSJFZWPYFOEIET-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041300820 762945209 /nfs/dbraw/zinc/94/52/09/762945209.db2.gz JUJZTPHMNRVUGF-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300820 762945211 /nfs/dbraw/zinc/94/52/11/762945211.db2.gz JUJZTPHMNRVUGF-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300820 762945214 /nfs/dbraw/zinc/94/52/14/762945214.db2.gz JUJZTPHMNRVUGF-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785254 763324912 /nfs/dbraw/zinc/32/49/12/763324912.db2.gz DNDWKXSPJQCUPG-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785254 763324922 /nfs/dbraw/zinc/32/49/22/763324922.db2.gz DNDWKXSPJQCUPG-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785254 763324929 /nfs/dbraw/zinc/32/49/29/763324929.db2.gz DNDWKXSPJQCUPG-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109361479 763603943 /nfs/dbraw/zinc/60/39/43/763603943.db2.gz XXMQTUUBLMTTJC-UGUYLWEFSA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCF)CC2 ZINC001050550171 763743286 /nfs/dbraw/zinc/74/32/86/763743286.db2.gz HTEYLMATSQYRRF-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCF)CC2 ZINC001050550171 763743291 /nfs/dbraw/zinc/74/32/91/763743291.db2.gz HTEYLMATSQYRRF-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042287212 763862423 /nfs/dbraw/zinc/86/24/23/763862423.db2.gz HFGDTYWYACGTGP-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001050662170 763884642 /nfs/dbraw/zinc/88/46/42/763884642.db2.gz FQEGWRGEBLVYJB-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042312734 763899515 /nfs/dbraw/zinc/89/95/15/763899515.db2.gz GBQDGYRXUXADOP-HOTGVXAUSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1ccnc1)C2 ZINC001109772434 764022016 /nfs/dbraw/zinc/02/20/16/764022016.db2.gz MLVTYLGUVHPMCJ-FZKCQIBNSA-N 2 1 300.406 1.579 20 30 DDEDMP C=C(C)C[NH+]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001113360708 765613296 /nfs/dbraw/zinc/61/32/96/765613296.db2.gz FEIKEQDEIORWIP-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001044654363 765728554 /nfs/dbraw/zinc/72/85/54/765728554.db2.gz LYYGUPIIAZLEMO-CHWSQXEVSA-N 2 1 306.410 1.505 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044765163 765797214 /nfs/dbraw/zinc/79/72/14/765797214.db2.gz GNWWFCCMWTZVIT-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658266 766046100 /nfs/dbraw/zinc/04/61/00/766046100.db2.gz JWIZVRKPZXMNAF-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658266 766046108 /nfs/dbraw/zinc/04/61/08/766046108.db2.gz JWIZVRKPZXMNAF-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658266 766046115 /nfs/dbraw/zinc/04/61/15/766046115.db2.gz JWIZVRKPZXMNAF-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045437501 766305574 /nfs/dbraw/zinc/30/55/74/766305574.db2.gz APJXTMXNIMVGAY-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001045925629 766708874 /nfs/dbraw/zinc/70/88/74/766708874.db2.gz UJZCBYSRQIGHNH-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001045925629 766708876 /nfs/dbraw/zinc/70/88/76/766708876.db2.gz UJZCBYSRQIGHNH-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001045925629 766708878 /nfs/dbraw/zinc/70/88/78/766708878.db2.gz UJZCBYSRQIGHNH-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001045925629 766708880 /nfs/dbraw/zinc/70/88/80/766708880.db2.gz UJZCBYSRQIGHNH-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045980124 766757249 /nfs/dbraw/zinc/75/72/49/766757249.db2.gz RREQTWQAKGZFPH-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980124 766757254 /nfs/dbraw/zinc/75/72/54/766757254.db2.gz RREQTWQAKGZFPH-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980124 766757258 /nfs/dbraw/zinc/75/72/58/766757258.db2.gz RREQTWQAKGZFPH-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045984408 766761304 /nfs/dbraw/zinc/76/13/04/766761304.db2.gz ZFQRBHLKAZQYRG-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001129770529 766998348 /nfs/dbraw/zinc/99/83/48/766998348.db2.gz HIOBQCVZXYRVPO-MSOLQXFVSA-N 2 1 311.429 1.477 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCc2ccccc21 ZINC001129770529 766998353 /nfs/dbraw/zinc/99/83/53/766998353.db2.gz HIOBQCVZXYRVPO-MSOLQXFVSA-N 2 1 311.429 1.477 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001129770242 766998542 /nfs/dbraw/zinc/99/85/42/766998542.db2.gz DADMIFRCDYMHCG-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCC1CCCC1 ZINC001129770242 766998549 /nfs/dbraw/zinc/99/85/49/766998549.db2.gz DADMIFRCDYMHCG-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001130298008 767418865 /nfs/dbraw/zinc/41/88/65/767418865.db2.gz VOFDIGYPTBQHNJ-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419420 767523527 /nfs/dbraw/zinc/52/35/27/767523527.db2.gz ZWHWCMGRQOEWOO-UHFFFAOYSA-N 2 1 306.248 1.331 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132426302 768843954 /nfs/dbraw/zinc/84/39/54/768843954.db2.gz VKKGNJFADZCAHH-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001098479076 768885371 /nfs/dbraw/zinc/88/53/71/768885371.db2.gz QYKIJVUCNCMZPF-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098479076 768885383 /nfs/dbraw/zinc/88/53/83/768885383.db2.gz QYKIJVUCNCMZPF-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098479076 768885397 /nfs/dbraw/zinc/88/53/97/768885397.db2.gz QYKIJVUCNCMZPF-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132931722 769332263 /nfs/dbraw/zinc/33/22/63/769332263.db2.gz CMVYTKUWPABXDH-UONOGXRCSA-N 2 1 320.437 1.610 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849289 769983935 /nfs/dbraw/zinc/98/39/35/769983935.db2.gz FDMVPHRNUDACAN-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849289 769983941 /nfs/dbraw/zinc/98/39/41/769983941.db2.gz FDMVPHRNUDACAN-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849289 769983943 /nfs/dbraw/zinc/98/39/43/769983943.db2.gz FDMVPHRNUDACAN-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049464739 770885397 /nfs/dbraw/zinc/88/53/97/770885397.db2.gz OIVUCVWKDQEQKJ-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049464739 770885410 /nfs/dbraw/zinc/88/54/10/770885410.db2.gz OIVUCVWKDQEQKJ-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049464739 770885421 /nfs/dbraw/zinc/88/54/21/770885421.db2.gz OIVUCVWKDQEQKJ-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049842768 771200653 /nfs/dbraw/zinc/20/06/53/771200653.db2.gz YAOQRIPDEKLVDA-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049842768 771200655 /nfs/dbraw/zinc/20/06/55/771200655.db2.gz YAOQRIPDEKLVDA-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049842768 771200657 /nfs/dbraw/zinc/20/06/57/771200657.db2.gz YAOQRIPDEKLVDA-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049917873 771258142 /nfs/dbraw/zinc/25/81/42/771258142.db2.gz IUXJYLRKDSJBAI-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC)CC1 ZINC001049920301 771262112 /nfs/dbraw/zinc/26/21/12/771262112.db2.gz RXPMTDRNSFHZLR-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC)CC1 ZINC001096605283 771284562 /nfs/dbraw/zinc/28/45/62/771284562.db2.gz HLDBGQNBNPGKLK-IKGGRYGDSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001096914267 771509487 /nfs/dbraw/zinc/50/94/87/771509487.db2.gz NAAXXRIRGZOLQQ-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001096914267 771509489 /nfs/dbraw/zinc/50/94/89/771509489.db2.gz NAAXXRIRGZOLQQ-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096914267 771509491 /nfs/dbraw/zinc/50/94/91/771509491.db2.gz NAAXXRIRGZOLQQ-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001096914267 771509492 /nfs/dbraw/zinc/50/94/92/771509492.db2.gz NAAXXRIRGZOLQQ-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583768 771587535 /nfs/dbraw/zinc/58/75/35/771587535.db2.gz FDZDYFBZDILXGU-CABCVRRESA-N 2 1 304.438 1.903 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135995327 771825271 /nfs/dbraw/zinc/82/52/71/771825271.db2.gz CWUHLEZOIZOUBY-HOTGVXAUSA-N 2 1 311.470 1.241 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC001090828976 772248163 /nfs/dbraw/zinc/24/81/63/772248163.db2.gz VSNLVQNHTGJZNM-IAGOWNOFSA-N 2 1 317.433 1.099 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001147359006 773120253 /nfs/dbraw/zinc/12/02/53/773120253.db2.gz LCLSXWKBYLBEDP-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001147457673 773140674 /nfs/dbraw/zinc/14/06/74/773140674.db2.gz IFRBPMVGUOGSQM-QGZVFWFLSA-N 2 1 319.449 1.588 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=C)C ZINC001171308836 773161039 /nfs/dbraw/zinc/16/10/39/773161039.db2.gz XGEOVPJCOFDKCN-SJORKVTESA-N 2 1 305.466 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(=C)C ZINC001171308836 773161041 /nfs/dbraw/zinc/16/10/41/773161041.db2.gz XGEOVPJCOFDKCN-SJORKVTESA-N 2 1 305.466 1.925 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661976 773276767 /nfs/dbraw/zinc/27/67/67/773276767.db2.gz FSIHELULLANBOF-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661976 773276774 /nfs/dbraw/zinc/27/67/74/773276774.db2.gz FSIHELULLANBOF-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661976 773276778 /nfs/dbraw/zinc/27/67/78/773276778.db2.gz FSIHELULLANBOF-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001073740148 773362137 /nfs/dbraw/zinc/36/21/37/773362137.db2.gz BXHTXGWWHHEZMJ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001073740148 773362144 /nfs/dbraw/zinc/36/21/44/773362144.db2.gz BXHTXGWWHHEZMJ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001073740148 773362148 /nfs/dbraw/zinc/36/21/48/773362148.db2.gz BXHTXGWWHHEZMJ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899014 773509389 /nfs/dbraw/zinc/50/93/89/773509389.db2.gz ISNGMPFBYUKPMF-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899014 773509394 /nfs/dbraw/zinc/50/93/94/773509394.db2.gz ISNGMPFBYUKPMF-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899014 773509398 /nfs/dbraw/zinc/50/93/98/773509398.db2.gz ISNGMPFBYUKPMF-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091748202 773606377 /nfs/dbraw/zinc/60/63/77/773606377.db2.gz FPGIIAYNNRRGDP-AOIWGVFYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001091748202 773606379 /nfs/dbraw/zinc/60/63/79/773606379.db2.gz FPGIIAYNNRRGDP-AOIWGVFYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CC3)C[C@@]2(C)C1 ZINC001091748202 773606384 /nfs/dbraw/zinc/60/63/84/773606384.db2.gz FPGIIAYNNRRGDP-AOIWGVFYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CC3)C[C@@]2(C)C1 ZINC001091748202 773606386 /nfs/dbraw/zinc/60/63/86/773606386.db2.gz FPGIIAYNNRRGDP-AOIWGVFYSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013141 773920948 /nfs/dbraw/zinc/92/09/48/773920948.db2.gz IZYXUDSIYHJLHK-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013141 773920952 /nfs/dbraw/zinc/92/09/52/773920952.db2.gz IZYXUDSIYHJLHK-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013141 773920954 /nfs/dbraw/zinc/92/09/54/773920954.db2.gz IZYXUDSIYHJLHK-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782510 774272715 /nfs/dbraw/zinc/27/27/15/774272715.db2.gz PIJHGPRLDZBYJW-GDBMZVCRSA-N 2 1 310.401 1.655 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911514 774299320 /nfs/dbraw/zinc/29/93/20/774299320.db2.gz SOJOAACHQAFVBP-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911514 774299326 /nfs/dbraw/zinc/29/93/26/774299326.db2.gz SOJOAACHQAFVBP-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911514 774299328 /nfs/dbraw/zinc/29/93/28/774299328.db2.gz SOJOAACHQAFVBP-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801240 774653840 /nfs/dbraw/zinc/65/38/40/774653840.db2.gz INEILWWEBPNBFD-GOEBONIOSA-N 2 1 315.417 1.511 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801240 774653842 /nfs/dbraw/zinc/65/38/42/774653842.db2.gz INEILWWEBPNBFD-GOEBONIOSA-N 2 1 315.417 1.511 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099554139 775027214 /nfs/dbraw/zinc/02/72/14/775027214.db2.gz XPNNFEUXEVFEFJ-XSLAGTTESA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099554139 775027222 /nfs/dbraw/zinc/02/72/22/775027222.db2.gz XPNNFEUXEVFEFJ-XSLAGTTESA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001099554139 775027228 /nfs/dbraw/zinc/02/72/28/775027228.db2.gz XPNNFEUXEVFEFJ-XSLAGTTESA-N 2 1 317.477 1.519 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985414 775526395 /nfs/dbraw/zinc/52/63/95/775526395.db2.gz CCQKNUASDHVHMA-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001100046847 775616537 /nfs/dbraw/zinc/61/65/37/775616537.db2.gz TWDBPLIACNRFLW-IRXDYDNUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171872943 776485055 /nfs/dbraw/zinc/48/50/55/776485055.db2.gz KWYDUAPZRFNGHS-CTMQZQKCSA-N 2 1 321.465 1.300 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001176071654 778011663 /nfs/dbraw/zinc/01/16/63/778011663.db2.gz HKQWDDWOVIHSCT-HNNXBMFYSA-N 2 1 318.396 1.245 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103049776 778597715 /nfs/dbraw/zinc/59/77/15/778597715.db2.gz DWLCRSJLBGYVFU-BZUAXINKSA-N 2 1 311.445 1.374 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438580 778867874 /nfs/dbraw/zinc/86/78/74/778867874.db2.gz QWPODJOOLYZYAA-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103438580 778867883 /nfs/dbraw/zinc/86/78/83/778867883.db2.gz QWPODJOOLYZYAA-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103438580 778867889 /nfs/dbraw/zinc/86/78/89/778867889.db2.gz QWPODJOOLYZYAA-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178535486 779082977 /nfs/dbraw/zinc/08/29/77/779082977.db2.gz JYJUCMKOAGPAKH-SJORKVTESA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396933 779357540 /nfs/dbraw/zinc/35/75/40/779357540.db2.gz XGRYJZVKWBBFCQ-ULQDDVLXSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396933 779357546 /nfs/dbraw/zinc/35/75/46/779357546.db2.gz XGRYJZVKWBBFCQ-ULQDDVLXSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112350061 779732275 /nfs/dbraw/zinc/73/22/75/779732275.db2.gz GFQFDUFSLVQOIU-LNLFQRSKSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536868 780221988 /nfs/dbraw/zinc/22/19/88/780221988.db2.gz KRWRQQLJPYACEU-IAGOWNOFSA-N 2 1 317.477 1.903 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001115730944 780380383 /nfs/dbraw/zinc/38/03/83/780380383.db2.gz VMAIXFKZUFREEL-JKSUJKDBSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cccc(C)c1 ZINC001266284357 836044333 /nfs/dbraw/zinc/04/43/33/836044333.db2.gz BTYHPZUAGDNVOV-SFHVURJKSA-N 2 1 313.445 1.641 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cccc(C)c1 ZINC001266284357 836044344 /nfs/dbraw/zinc/04/43/44/836044344.db2.gz BTYHPZUAGDNVOV-SFHVURJKSA-N 2 1 313.445 1.641 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(C)c1 ZINC001266284357 836044358 /nfs/dbraw/zinc/04/43/58/836044358.db2.gz BTYHPZUAGDNVOV-SFHVURJKSA-N 2 1 313.445 1.641 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(C)c1 ZINC001266284357 836044370 /nfs/dbraw/zinc/04/43/70/836044370.db2.gz BTYHPZUAGDNVOV-SFHVURJKSA-N 2 1 313.445 1.641 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266469651 836309503 /nfs/dbraw/zinc/30/95/03/836309503.db2.gz QBBNVHIOHFDRSK-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001266472067 836310668 /nfs/dbraw/zinc/31/06/68/836310668.db2.gz BVPPJUSWTUCSHM-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266472067 836310678 /nfs/dbraw/zinc/31/06/78/836310678.db2.gz BVPPJUSWTUCSHM-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266472067 836310692 /nfs/dbraw/zinc/31/06/92/836310692.db2.gz BVPPJUSWTUCSHM-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266472067 836310701 /nfs/dbraw/zinc/31/07/01/836310701.db2.gz BVPPJUSWTUCSHM-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266472067 836310714 /nfs/dbraw/zinc/31/07/14/836310714.db2.gz BVPPJUSWTUCSHM-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001266532894 836426414 /nfs/dbraw/zinc/42/64/14/836426414.db2.gz BFLKFZVIMJKPHM-SFHVURJKSA-N 2 1 313.445 1.232 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001266532894 836426422 /nfs/dbraw/zinc/42/64/22/836426422.db2.gz BFLKFZVIMJKPHM-SFHVURJKSA-N 2 1 313.445 1.232 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001266532894 836426432 /nfs/dbraw/zinc/42/64/32/836426432.db2.gz BFLKFZVIMJKPHM-SFHVURJKSA-N 2 1 313.445 1.232 20 30 DDEDMP C#CC[N@@H+](CCC)CCNC(=O)c1sccc1C[NH+](C)C ZINC001266562794 836473846 /nfs/dbraw/zinc/47/38/46/836473846.db2.gz OMROAPZDVPLVOH-UHFFFAOYSA-N 2 1 307.463 1.885 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC=C)C1 ZINC001266792812 836843405 /nfs/dbraw/zinc/84/34/05/836843405.db2.gz DNGJDLULZASCPP-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC=C)C1 ZINC001266792812 836843413 /nfs/dbraw/zinc/84/34/13/836843413.db2.gz DNGJDLULZASCPP-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267070376 837287727 /nfs/dbraw/zinc/28/77/27/837287727.db2.gz LQNHTJGSJQOFQJ-SJLPKXTDSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001267486978 838164926 /nfs/dbraw/zinc/16/49/26/838164926.db2.gz PAITZSMHJXOIPT-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001267486978 838164932 /nfs/dbraw/zinc/16/49/32/838164932.db2.gz PAITZSMHJXOIPT-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(=C)C)C(C)C ZINC001267503427 838199747 /nfs/dbraw/zinc/19/97/47/838199747.db2.gz SXAOXUYYGLIOKK-KRWDZBQOSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(=C)C)C(C)C ZINC001267503427 838199749 /nfs/dbraw/zinc/19/97/49/838199749.db2.gz SXAOXUYYGLIOKK-KRWDZBQOSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=C)C)C(C)C ZINC001267503427 838199755 /nfs/dbraw/zinc/19/97/55/838199755.db2.gz SXAOXUYYGLIOKK-KRWDZBQOSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=C)C)C(C)C ZINC001267503427 838199760 /nfs/dbraw/zinc/19/97/60/838199760.db2.gz SXAOXUYYGLIOKK-KRWDZBQOSA-N 2 1 305.466 1.877 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267549274 838288352 /nfs/dbraw/zinc/28/83/52/838288352.db2.gz VCGYBCPZKDJHLF-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267590467 838381744 /nfs/dbraw/zinc/38/17/44/838381744.db2.gz SRFBHJJONXMVJD-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001267938456 839227762 /nfs/dbraw/zinc/22/77/62/839227762.db2.gz WVLDOZSHXSBEJU-RHSMWYFYSA-N 2 1 301.434 1.919 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001267966511 839285676 /nfs/dbraw/zinc/28/56/76/839285676.db2.gz KMRISPUNKGIBFN-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001267966511 839285684 /nfs/dbraw/zinc/28/56/84/839285684.db2.gz KMRISPUNKGIBFN-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncs1 ZINC001268374762 840079728 /nfs/dbraw/zinc/07/97/28/840079728.db2.gz QZVMNKTTXBFNJL-HIFRSBDPSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cncs1 ZINC001268374762 840079735 /nfs/dbraw/zinc/07/97/35/840079735.db2.gz QZVMNKTTXBFNJL-HIFRSBDPSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001268748384 840747795 /nfs/dbraw/zinc/74/77/95/840747795.db2.gz YMHBHYAPIUJXJX-MRXNPFEDSA-N 2 1 301.434 1.231 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCCF)C1 ZINC001269034334 841131533 /nfs/dbraw/zinc/13/15/33/841131533.db2.gz VHHHWXDDEMSUTR-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001269297457 841483651 /nfs/dbraw/zinc/48/36/51/841483651.db2.gz YTSBEZCERZABSU-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001269413636 841621941 /nfs/dbraw/zinc/62/19/41/841621941.db2.gz XGIOJIYAOJPABF-WBVHZDCISA-N 2 1 305.466 1.901 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001270274268 842446322 /nfs/dbraw/zinc/44/63/22/842446322.db2.gz VOZUTMRBMUELBM-MRXNPFEDSA-N 2 1 323.481 1.500 20 30 DDEDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922638 861311886 /nfs/dbraw/zinc/31/18/86/861311886.db2.gz OXJKKFAISVMSTL-UHFFFAOYSA-N 2 1 311.433 1.719 20 30 DDEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001270486656 842612008 /nfs/dbraw/zinc/61/20/08/842612008.db2.gz OJEPDLVXUAPEJA-IRXDYDNUSA-N 2 1 323.481 1.100 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001270624450 842743850 /nfs/dbraw/zinc/74/38/50/842743850.db2.gz QCCODJJMYWAUFM-MSOLQXFVSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001270624450 842743854 /nfs/dbraw/zinc/74/38/54/842743854.db2.gz QCCODJJMYWAUFM-MSOLQXFVSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001270624450 842743859 /nfs/dbraw/zinc/74/38/59/842743859.db2.gz QCCODJJMYWAUFM-MSOLQXFVSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001270624450 842743861 /nfs/dbraw/zinc/74/38/61/842743861.db2.gz QCCODJJMYWAUFM-MSOLQXFVSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816956 847200374 /nfs/dbraw/zinc/20/03/74/847200374.db2.gz KRPIKLWEOBCFEJ-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816956 847200388 /nfs/dbraw/zinc/20/03/88/847200388.db2.gz KRPIKLWEOBCFEJ-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816956 847200402 /nfs/dbraw/zinc/20/04/02/847200402.db2.gz KRPIKLWEOBCFEJ-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326977514 861767936 /nfs/dbraw/zinc/76/79/36/861767936.db2.gz HNLARWQNKYAHQW-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001327079691 861860518 /nfs/dbraw/zinc/86/05/18/861860518.db2.gz JPCGDZLWSYTQNO-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034210386 848116715 /nfs/dbraw/zinc/11/67/15/848116715.db2.gz OBKHWVNODSZBCU-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001034369746 848396911 /nfs/dbraw/zinc/39/69/11/848396911.db2.gz UOPCZPLREHXZEV-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034369746 848396923 /nfs/dbraw/zinc/39/69/23/848396923.db2.gz UOPCZPLREHXZEV-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001034369746 848396929 /nfs/dbraw/zinc/39/69/29/848396929.db2.gz UOPCZPLREHXZEV-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398709 848464014 /nfs/dbraw/zinc/46/40/14/848464014.db2.gz POMVFQMWTLAMCO-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398709 848464016 /nfs/dbraw/zinc/46/40/16/848464016.db2.gz POMVFQMWTLAMCO-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398709 848464025 /nfs/dbraw/zinc/46/40/25/848464025.db2.gz POMVFQMWTLAMCO-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398709 848464029 /nfs/dbraw/zinc/46/40/29/848464029.db2.gz POMVFQMWTLAMCO-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCC1 ZINC001273153623 848587431 /nfs/dbraw/zinc/58/74/31/848587431.db2.gz AWDLDQMIACEOGK-UHFFFAOYSA-N 2 1 318.421 1.699 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841329 861933354 /nfs/dbraw/zinc/93/33/54/861933354.db2.gz COCUPGCNMUHWPI-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841329 861933367 /nfs/dbraw/zinc/93/33/67/861933367.db2.gz COCUPGCNMUHWPI-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841329 861933374 /nfs/dbraw/zinc/93/33/74/861933374.db2.gz COCUPGCNMUHWPI-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841329 861933384 /nfs/dbraw/zinc/93/33/84/861933384.db2.gz COCUPGCNMUHWPI-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149841915 861936842 /nfs/dbraw/zinc/93/68/42/861936842.db2.gz MLAPGSYOSNVMFW-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C1(N2CCOCC2)CCCC1 ZINC001155563708 862232086 /nfs/dbraw/zinc/23/20/86/862232086.db2.gz JBLHEUOSHRGSPY-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150469268 862256633 /nfs/dbraw/zinc/25/66/33/862256633.db2.gz DQGVFBWPXNPFDV-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001274037403 851874863 /nfs/dbraw/zinc/87/48/63/851874863.db2.gz WRZAABHLQONGRR-UHFFFAOYSA-N 2 1 311.429 1.738 20 30 DDEDMP C#CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001274950935 852708670 /nfs/dbraw/zinc/70/86/70/852708670.db2.gz YZRXMQWQUMLQHK-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001274950935 852708673 /nfs/dbraw/zinc/70/86/73/852708673.db2.gz YZRXMQWQUMLQHK-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001274950935 852708680 /nfs/dbraw/zinc/70/86/80/852708680.db2.gz YZRXMQWQUMLQHK-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001275108743 852813794 /nfs/dbraw/zinc/81/37/94/852813794.db2.gz PCWWEEWHPSBCPM-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275108743 852813797 /nfs/dbraw/zinc/81/37/97/852813797.db2.gz PCWWEEWHPSBCPM-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275108743 852813803 /nfs/dbraw/zinc/81/38/03/852813803.db2.gz PCWWEEWHPSBCPM-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001275689188 853575272 /nfs/dbraw/zinc/57/52/72/853575272.db2.gz CVDPOHFUQSOKBW-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001151019417 862579338 /nfs/dbraw/zinc/57/93/38/862579338.db2.gz YUCDRYOXTPMBHG-JKSUJKDBSA-N 2 1 305.397 1.805 20 30 DDEDMP COCC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001327995873 862619187 /nfs/dbraw/zinc/61/91/87/862619187.db2.gz PFIWECNGEQTYGT-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049556907 856971935 /nfs/dbraw/zinc/97/19/35/856971935.db2.gz DJHBFFOQJIOZKF-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001049556907 856971947 /nfs/dbraw/zinc/97/19/47/856971947.db2.gz DJHBFFOQJIOZKF-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@H+]1C ZINC001049556907 856971959 /nfs/dbraw/zinc/97/19/59/856971959.db2.gz DJHBFFOQJIOZKF-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740940 857661947 /nfs/dbraw/zinc/66/19/47/857661947.db2.gz QHHBYNAEWRAIFP-MRXNPFEDSA-N 2 1 303.450 1.439 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072800036 857717877 /nfs/dbraw/zinc/71/78/77/857717877.db2.gz YSPNZKZKRQPKHX-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072800036 857717887 /nfs/dbraw/zinc/71/78/87/857717887.db2.gz YSPNZKZKRQPKHX-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072800036 857717896 /nfs/dbraw/zinc/71/78/96/857717896.db2.gz YSPNZKZKRQPKHX-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983332 857967315 /nfs/dbraw/zinc/96/73/15/857967315.db2.gz RXRDNVJPHFMTBU-OAHLLOKOSA-N 2 1 314.433 1.474 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C2)C1 ZINC001072983332 857967324 /nfs/dbraw/zinc/96/73/24/857967324.db2.gz RXRDNVJPHFMTBU-OAHLLOKOSA-N 2 1 314.433 1.474 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001073048828 858046075 /nfs/dbraw/zinc/04/60/75/858046075.db2.gz KKHZHGZDUSLSGO-AWEZNQCLSA-N 2 1 300.406 1.146 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073048828 858046079 /nfs/dbraw/zinc/04/60/79/858046079.db2.gz KKHZHGZDUSLSGO-AWEZNQCLSA-N 2 1 300.406 1.146 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073048828 858046081 /nfs/dbraw/zinc/04/60/81/858046081.db2.gz KKHZHGZDUSLSGO-AWEZNQCLSA-N 2 1 300.406 1.146 20 30 DDEDMP C=C(Cl)CN1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001073432022 858330420 /nfs/dbraw/zinc/33/04/20/858330420.db2.gz RSWWXCJXRIHFTI-UHFFFAOYSA-N 2 1 308.813 1.478 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC001121909275 858629912 /nfs/dbraw/zinc/62/99/12/858629912.db2.gz LVCRMFRDNRHFHP-GASCZTMLSA-N 2 1 315.417 1.457 20 30 DDEDMP C#CCOc1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)cc1 ZINC001138555282 860129269 /nfs/dbraw/zinc/12/92/69/860129269.db2.gz UVTOVEDHQGHDQP-UHFFFAOYSA-N 2 1 301.434 1.378 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001224788157 881536691 /nfs/dbraw/zinc/53/66/91/881536691.db2.gz NOCYXRIIOJOLDF-CQSZACIVSA-N 2 1 304.438 1.993 20 30 DDEDMP CC(C)[N@@H+](C)[C@@H]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001157001218 863511218 /nfs/dbraw/zinc/51/12/18/863511218.db2.gz KTEXXKUFVNPPFB-OAHLLOKOSA-N 2 1 313.449 1.908 20 30 DDEDMP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC001331962492 865463989 /nfs/dbraw/zinc/46/39/89/865463989.db2.gz IKFHSYSTWGEHJW-OAHLLOKOSA-N 2 1 312.417 1.961 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001159993311 865633859 /nfs/dbraw/zinc/63/38/59/865633859.db2.gz XCKJTHJELPVEFC-UHFFFAOYSA-N 2 1 318.259 1.475 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466956 865864839 /nfs/dbraw/zinc/86/48/39/865864839.db2.gz MBLNRAWPEIHTDR-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466956 865864858 /nfs/dbraw/zinc/86/48/58/865864858.db2.gz MBLNRAWPEIHTDR-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466956 865864872 /nfs/dbraw/zinc/86/48/72/865864872.db2.gz MBLNRAWPEIHTDR-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C[C@H](C#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001161143538 866405551 /nfs/dbraw/zinc/40/55/51/866405551.db2.gz ADIFEHPRFGBBKS-GDBMZVCRSA-N 2 1 312.417 1.078 20 30 DDEDMP C[C@H](C#N)N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001161143538 866405556 /nfs/dbraw/zinc/40/55/56/866405556.db2.gz ADIFEHPRFGBBKS-GDBMZVCRSA-N 2 1 312.417 1.078 20 30 DDEDMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001323669267 866759710 /nfs/dbraw/zinc/75/97/10/866759710.db2.gz ILOWTPALUVEACW-ALOPSCKCSA-N 2 1 305.466 1.853 20 30 DDEDMP N#Cc1ccc(-c2ccncc2)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161870817 867052046 /nfs/dbraw/zinc/05/20/46/867052046.db2.gz PABBFKPRIVLRPM-UHFFFAOYSA-N 2 1 322.416 1.850 20 30 DDEDMP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001320820812 867056566 /nfs/dbraw/zinc/05/65/66/867056566.db2.gz RHZCYHVKXGQXRX-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001324082099 867058352 /nfs/dbraw/zinc/05/83/52/867058352.db2.gz RAZFGLNCBACDOA-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)CC[N@H+](C)CCC)(COC)CC1 ZINC001162581770 867660728 /nfs/dbraw/zinc/66/07/28/867660728.db2.gz NTKIYSZLNXZQNC-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162604576 867672576 /nfs/dbraw/zinc/67/25/76/867672576.db2.gz YLWIOPRCLGBDFB-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325126122 867798033 /nfs/dbraw/zinc/79/80/33/867798033.db2.gz LQNKRZFPUCFKAN-QGZVFWFLSA-N 2 1 311.470 1.093 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325126122 867798041 /nfs/dbraw/zinc/79/80/41/867798041.db2.gz LQNKRZFPUCFKAN-QGZVFWFLSA-N 2 1 311.470 1.093 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001325560918 868136531 /nfs/dbraw/zinc/13/65/31/868136531.db2.gz FFROJVTYTFKUFL-HOTGVXAUSA-N 2 1 316.449 1.714 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001336756278 869125748 /nfs/dbraw/zinc/12/57/48/869125748.db2.gz LQHGYBLRBRFLLT-IAGOWNOFSA-N 2 1 323.481 1.912 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001336821798 869164476 /nfs/dbraw/zinc/16/44/76/869164476.db2.gz AVWHABUQJLPQOT-HDICACEKSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001165765045 869705076 /nfs/dbraw/zinc/70/50/76/869705076.db2.gz XDULRRBCMZUNLU-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317043022 870154933 /nfs/dbraw/zinc/15/49/33/870154933.db2.gz MTAHQVKJFYHCOU-INIZCTEOSA-N 2 1 316.449 1.810 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317043022 870154943 /nfs/dbraw/zinc/15/49/43/870154943.db2.gz MTAHQVKJFYHCOU-INIZCTEOSA-N 2 1 316.449 1.810 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166707554 870177400 /nfs/dbraw/zinc/17/74/00/870177400.db2.gz HCCQZOZUMVPOAY-HNNXBMFYSA-N 2 1 320.437 1.052 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001166814884 870270997 /nfs/dbraw/zinc/27/09/97/870270997.db2.gz SNQFUGUQNJKREW-INIZCTEOSA-N 2 1 323.481 1.548 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317124641 870299975 /nfs/dbraw/zinc/29/99/75/870299975.db2.gz SGKZTIVSUWORAY-HDICACEKSA-N 2 1 313.445 1.617 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910178 870830268 /nfs/dbraw/zinc/83/02/68/870830268.db2.gz DMHJNEIBIJMOSK-GOSISDBHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc2[nH]c(C3CC[NH2+]CC3)nc2c1 ZINC001340999362 871459255 /nfs/dbraw/zinc/45/92/55/871459255.db2.gz IPHLTQJEPKXXLI-UHFFFAOYSA-N 2 1 311.389 1.191 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205339300 871502790 /nfs/dbraw/zinc/50/27/90/871502790.db2.gz DWKNNQHLEWOQJH-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001341661145 871761980 /nfs/dbraw/zinc/76/19/80/871761980.db2.gz CNYBPCQGAVCWNU-KRWDZBQOSA-N 2 1 301.434 1.845 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001341661145 871761990 /nfs/dbraw/zinc/76/19/90/871761990.db2.gz CNYBPCQGAVCWNU-KRWDZBQOSA-N 2 1 301.434 1.845 20 30 DDEDMP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316815029 872100300 /nfs/dbraw/zinc/10/03/00/872100300.db2.gz UUXKXSBSEMPWIP-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001316815029 872100313 /nfs/dbraw/zinc/10/03/13/872100313.db2.gz UUXKXSBSEMPWIP-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001316815029 872100322 /nfs/dbraw/zinc/10/03/22/872100322.db2.gz UUXKXSBSEMPWIP-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001318708956 872219883 /nfs/dbraw/zinc/21/98/83/872219883.db2.gz OBEYHVJUNGWTEB-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001319196883 872491815 /nfs/dbraw/zinc/49/18/15/872491815.db2.gz ONMHGNVDNQBEOV-DOTOQJQBSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC#C)C1CCCCC1 ZINC001319654108 872738628 /nfs/dbraw/zinc/73/86/28/872738628.db2.gz CBMXRDRFCXAOOV-ROUUACIJSA-N 2 1 315.461 1.372 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC#C)C1CCCCC1 ZINC001319654108 872738634 /nfs/dbraw/zinc/73/86/34/872738634.db2.gz CBMXRDRFCXAOOV-ROUUACIJSA-N 2 1 315.461 1.372 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952250 872835935 /nfs/dbraw/zinc/83/59/35/872835935.db2.gz GLFXXMRUFYTQKO-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276586077 874450341 /nfs/dbraw/zinc/45/03/41/874450341.db2.gz BKNJWLKCNZWLAK-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209640321 875028647 /nfs/dbraw/zinc/02/86/47/875028647.db2.gz AULXNVKCNSOOAS-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213763204 876044680 /nfs/dbraw/zinc/04/46/80/876044680.db2.gz HLGJPUGPCBMPPV-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213763204 876044698 /nfs/dbraw/zinc/04/46/98/876044698.db2.gz HLGJPUGPCBMPPV-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213763204 876044716 /nfs/dbraw/zinc/04/47/16/876044716.db2.gz HLGJPUGPCBMPPV-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(CC)CC)C1 ZINC001214878703 876490172 /nfs/dbraw/zinc/49/01/72/876490172.db2.gz BMNQCRCRTJHCGQ-NXHRZFHOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(CC)CC)C1 ZINC001214878703 876490175 /nfs/dbraw/zinc/49/01/75/876490175.db2.gz BMNQCRCRTJHCGQ-NXHRZFHOSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001379485984 877183789 /nfs/dbraw/zinc/18/37/89/877183789.db2.gz WLNHQESTLMISKS-KGLIPLIRSA-N 2 1 317.861 1.069 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001379485984 877183798 /nfs/dbraw/zinc/18/37/98/877183798.db2.gz WLNHQESTLMISKS-KGLIPLIRSA-N 2 1 317.861 1.069 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218204671 877418100 /nfs/dbraw/zinc/41/81/00/877418100.db2.gz WQQFUALKQWHTRB-PBHICJAKSA-N 3 1 300.406 1.100 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)Nc1cc(F)ccc1OCC1CC[NH2+]CC1 ZINC001219131444 877949172 /nfs/dbraw/zinc/94/91/72/877949172.db2.gz FDMBQEOFRUGSNN-KRWDZBQOSA-N 2 1 319.380 1.493 20 30 DDEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001380009851 878552981 /nfs/dbraw/zinc/55/29/81/878552981.db2.gz IVWHFHXKNNCANE-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001380009851 878552994 /nfs/dbraw/zinc/55/29/94/878552994.db2.gz IVWHFHXKNNCANE-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001380009851 878553008 /nfs/dbraw/zinc/55/30/08/878553008.db2.gz IVWHFHXKNNCANE-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001380009851 878553019 /nfs/dbraw/zinc/55/30/19/878553019.db2.gz IVWHFHXKNNCANE-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001380686412 880189889 /nfs/dbraw/zinc/18/98/89/880189889.db2.gz GXBXVAULRDPQOS-JSGCOSHPSA-N 2 1 301.862 1.763 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222027450 880191057 /nfs/dbraw/zinc/19/10/57/880191057.db2.gz WMHHXJYGQHPLSG-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP N#Cc1ccc2[nH]cc(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222094316 880241838 /nfs/dbraw/zinc/24/18/38/880241838.db2.gz BRKIHZXSICRISH-UHFFFAOYSA-N 2 1 309.417 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001276831281 880585759 /nfs/dbraw/zinc/58/57/59/880585759.db2.gz VJOBANJWJALIAD-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001276831281 880585769 /nfs/dbraw/zinc/58/57/69/880585769.db2.gz VJOBANJWJALIAD-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001276831281 880585782 /nfs/dbraw/zinc/58/57/82/880585782.db2.gz VJOBANJWJALIAD-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001223846494 881122350 /nfs/dbraw/zinc/12/23/50/881122350.db2.gz LYTRQKZTECCDLS-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223846494 881122357 /nfs/dbraw/zinc/12/23/57/881122357.db2.gz LYTRQKZTECCDLS-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001223846494 881122368 /nfs/dbraw/zinc/12/23/68/881122368.db2.gz LYTRQKZTECCDLS-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001227877616 883211418 /nfs/dbraw/zinc/21/14/18/883211418.db2.gz UXIUXLJGBGHWGW-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C[NH+](C)CCC(=O)NC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001228990984 883759403 /nfs/dbraw/zinc/75/94/03/883759403.db2.gz BRVBLNALWGAEFQ-UHFFFAOYSA-N 2 1 320.462 1.652 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001230628044 884665019 /nfs/dbraw/zinc/66/50/19/884665019.db2.gz GILAUGHZPCQHQR-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628044 884665028 /nfs/dbraw/zinc/66/50/28/884665028.db2.gz GILAUGHZPCQHQR-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001230628044 884665038 /nfs/dbraw/zinc/66/50/38/884665038.db2.gz GILAUGHZPCQHQR-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246641509 892763872 /nfs/dbraw/zinc/76/38/72/892763872.db2.gz IPDPEACUPMKKCD-ZWKOTPCHSA-N 2 1 324.428 1.599 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CC[C@@H]4[NH2+]CC[C@H]43)CC2)cc1 ZINC001246641509 892763875 /nfs/dbraw/zinc/76/38/75/892763875.db2.gz IPDPEACUPMKKCD-ZWKOTPCHSA-N 2 1 324.428 1.599 20 30 DDEDMP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251835975 894834949 /nfs/dbraw/zinc/83/49/49/894834949.db2.gz SAYXFSPYVXGOAW-HRCADAONSA-N 2 1 320.458 1.122 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001374834138 914078592 /nfs/dbraw/zinc/07/85/92/914078592.db2.gz RUYDLJCSCSPKBP-CQSZACIVSA-N 2 1 302.422 1.494 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001278972286 897619409 /nfs/dbraw/zinc/61/94/09/897619409.db2.gz BNKBUCTZSPCAFW-JKSUJKDBSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001278972286 897619418 /nfs/dbraw/zinc/61/94/18/897619418.db2.gz BNKBUCTZSPCAFW-JKSUJKDBSA-N 2 1 305.466 1.615 20 30 DDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001279097412 898184386 /nfs/dbraw/zinc/18/43/86/898184386.db2.gz PNUPQEFKKHAPCN-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001265169841 901660807 /nfs/dbraw/zinc/66/08/07/901660807.db2.gz HNYPOJVQMRKCOW-UHFFFAOYSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265558463 902132656 /nfs/dbraw/zinc/13/26/56/902132656.db2.gz ZKYFCTWSILTIBM-HRCADAONSA-N 2 1 316.449 1.957 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001370021635 902405180 /nfs/dbraw/zinc/40/51/80/902405180.db2.gz WBFYELVKQZBAFD-MRXNPFEDSA-N 2 1 300.406 1.200 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC(F)(F)F ZINC001265786632 902408157 /nfs/dbraw/zinc/40/81/57/902408157.db2.gz RGPFDKYHWTUKNP-NEPJUHHUSA-N 2 1 305.344 1.131 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC(F)(F)F ZINC001265786632 902408162 /nfs/dbraw/zinc/40/81/62/902408162.db2.gz RGPFDKYHWTUKNP-NEPJUHHUSA-N 2 1 305.344 1.131 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C#N)s1 ZINC001265971645 902684004 /nfs/dbraw/zinc/68/40/04/902684004.db2.gz VSCWASKPZALEJX-CYBMUJFWSA-N 2 1 320.462 1.510 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)s1 ZINC001265971645 902684016 /nfs/dbraw/zinc/68/40/16/902684016.db2.gz VSCWASKPZALEJX-CYBMUJFWSA-N 2 1 320.462 1.510 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266072529 902884773 /nfs/dbraw/zinc/88/47/73/902884773.db2.gz WTBIFYRGBYFJQP-DLBZAZTESA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001266102656 902945074 /nfs/dbraw/zinc/94/50/74/902945074.db2.gz LZLDWQIAZVRWOB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266102656 902945078 /nfs/dbraw/zinc/94/50/78/902945078.db2.gz LZLDWQIAZVRWOB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266102656 902945082 /nfs/dbraw/zinc/94/50/82/902945082.db2.gz LZLDWQIAZVRWOB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+]1CCCC1)CO2 ZINC001280980205 904266916 /nfs/dbraw/zinc/26/69/16/904266916.db2.gz TULTVPRNYAJOKB-INIZCTEOSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCCC[NH+]1CCC(CO)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001281806760 905234934 /nfs/dbraw/zinc/23/49/34/905234934.db2.gz SJFCKPMLWNGJQN-UHFFFAOYSA-N 2 1 320.437 1.101 20 30 DDEDMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001371880135 905914640 /nfs/dbraw/zinc/91/46/40/905914640.db2.gz MCGIBONKUXGPPJ-PBHICJAKSA-N 2 1 314.433 1.494 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001282738397 906001086 /nfs/dbraw/zinc/00/10/86/906001086.db2.gz FMKBVZRBMSYSPH-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001282874589 906137987 /nfs/dbraw/zinc/13/79/87/906137987.db2.gz DCYKSCKIKXCLNB-NNZMDNLPSA-N 2 1 319.493 1.979 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001284155067 908563086 /nfs/dbraw/zinc/56/30/86/908563086.db2.gz QXPVYTDTXCNJMB-ZWKOTPCHSA-N 2 1 313.445 1.279 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001284293617 908784662 /nfs/dbraw/zinc/78/46/62/908784662.db2.gz SDHPJGHMJXSSSC-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCCC)C1 ZINC001284770343 909467136 /nfs/dbraw/zinc/46/71/36/909467136.db2.gz AZTCNQGQUISSCV-JCYILVPMSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCCC)C1 ZINC001284770343 909467147 /nfs/dbraw/zinc/46/71/47/909467147.db2.gz AZTCNQGQUISSCV-JCYILVPMSA-N 2 1 305.466 1.853 20 30 DDEDMP COC[C@@]1(C)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451205403 231032228 /nfs/dbraw/zinc/03/22/28/231032228.db2.gz YCGYVVOFDOTAPD-ROUUACIJSA-N 2 1 308.466 1.707 20 30 DDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1CC[N@@H+](C)C1 ZINC000079331147 353558939 /nfs/dbraw/zinc/55/89/39/353558939.db2.gz DTJPHKLWWZQFSM-ZDUSSCGKSA-N 2 1 304.394 1.032 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000090064927 353788415 /nfs/dbraw/zinc/78/84/15/353788415.db2.gz CAURJYXPCFBCKP-GDBMZVCRSA-N 2 1 318.421 1.675 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000090064927 353788418 /nfs/dbraw/zinc/78/84/18/353788418.db2.gz CAURJYXPCFBCKP-GDBMZVCRSA-N 2 1 318.421 1.675 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)Cc1ccccc1 ZINC000594441092 356216876 /nfs/dbraw/zinc/21/68/76/356216876.db2.gz MMOCIKROAOSKCL-MRXNPFEDSA-N 2 1 302.422 1.646 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000594442660 356217501 /nfs/dbraw/zinc/21/75/01/356217501.db2.gz HMAMIMOAAVYGMH-PVAVHDDUSA-N 2 1 318.465 1.873 20 30 DDEDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600734511 358300948 /nfs/dbraw/zinc/30/09/48/358300948.db2.gz CSKCNFZBRQCQPE-WBVHZDCISA-N 2 1 317.433 1.619 20 30 DDEDMP CCN1CCC([N@@H+]2CCCN(c3nccc(C#N)n3)CC2)CC1 ZINC000568616100 304301262 /nfs/dbraw/zinc/30/12/62/304301262.db2.gz NFOXFOUCTVFPQR-UHFFFAOYSA-N 2 1 314.437 1.345 20 30 DDEDMP CCN1CCC([N@H+]2CCCN(c3nccc(C#N)n3)CC2)CC1 ZINC000568616100 304301263 /nfs/dbraw/zinc/30/12/63/304301263.db2.gz NFOXFOUCTVFPQR-UHFFFAOYSA-N 2 1 314.437 1.345 20 30 DDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCC#N)CC2)CC1 ZINC000066568111 407254370 /nfs/dbraw/zinc/25/43/70/407254370.db2.gz PBVNDRVYHYRNSQ-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000105897035 407357537 /nfs/dbraw/zinc/35/75/37/407357537.db2.gz GSZWEVUQYMOCDQ-GJZGRUSLSA-N 2 1 317.437 1.843 20 30 DDEDMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000105897035 407357539 /nfs/dbraw/zinc/35/75/39/407357539.db2.gz GSZWEVUQYMOCDQ-GJZGRUSLSA-N 2 1 317.437 1.843 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNc1ccccn1 ZINC000170905298 407552373 /nfs/dbraw/zinc/55/23/73/407552373.db2.gz FLQSNEMKPCNTGQ-CQSZACIVSA-N 2 1 304.442 1.272 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000179083189 407717200 /nfs/dbraw/zinc/71/72/00/407717200.db2.gz VRFCIEZCZWIATM-UHFFFAOYSA-N 2 1 319.453 1.873 20 30 DDEDMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1C#N ZINC000262513577 407852968 /nfs/dbraw/zinc/85/29/68/407852968.db2.gz NEKGVCZVDJUCBA-INIZCTEOSA-N 2 1 300.406 1.046 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272983772 408019935 /nfs/dbraw/zinc/01/99/35/408019935.db2.gz RSQHUUXTGYLROA-MRXNPFEDSA-N 2 1 304.438 1.314 20 30 DDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954884 408291470 /nfs/dbraw/zinc/29/14/70/408291470.db2.gz IJEZPRFMLLNEHG-KRWDZBQOSA-N 2 1 324.513 1.369 20 30 DDEDMP CCc1nc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000264098903 408364584 /nfs/dbraw/zinc/36/45/84/408364584.db2.gz NKNRLZFAYRLUOD-ZDUSSCGKSA-N 2 1 309.483 1.637 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N(C)C ZINC000264146034 408380830 /nfs/dbraw/zinc/38/08/30/408380830.db2.gz XWFJWARCJJKDIM-SJORKVTESA-N 2 1 317.481 1.678 20 30 DDEDMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000162486953 408703779 /nfs/dbraw/zinc/70/37/79/408703779.db2.gz GCVLAJDXHAIYKT-HNNXBMFYSA-N 2 1 306.454 1.555 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000162486953 408703787 /nfs/dbraw/zinc/70/37/87/408703787.db2.gz GCVLAJDXHAIYKT-HNNXBMFYSA-N 2 1 306.454 1.555 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329286864 410213584 /nfs/dbraw/zinc/21/35/84/410213584.db2.gz HAKCXWSRGWGPBN-TZMCWYRMSA-N 2 1 305.426 1.568 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329286864 410213589 /nfs/dbraw/zinc/21/35/89/410213589.db2.gz HAKCXWSRGWGPBN-TZMCWYRMSA-N 2 1 305.426 1.568 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000343831394 410733475 /nfs/dbraw/zinc/73/34/75/410733475.db2.gz XHPSJXRWEDYLLR-KRWDZBQOSA-N 2 1 312.417 1.202 20 30 DDEDMP C[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261985922 222265866 /nfs/dbraw/zinc/26/58/66/222265866.db2.gz QEIXENGWUHUIEC-SWLSCSKDSA-N 2 1 310.511 1.777 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCCCC2)O1 ZINC000263163138 222304753 /nfs/dbraw/zinc/30/47/53/222304753.db2.gz PDYOAIPAEKEHEX-HUUCEWRRSA-N 2 1 324.469 1.451 20 30 DDEDMP C=CCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000264090647 222315948 /nfs/dbraw/zinc/31/59/48/222315948.db2.gz KWAYWFGBIJQINU-UHFFFAOYSA-N 2 1 315.465 1.414 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000267408580 222384136 /nfs/dbraw/zinc/38/41/36/222384136.db2.gz HSHFBWMCWVCPOP-GOEBONIOSA-N 2 1 304.438 1.590 20 30 DDEDMP C[NH+](C)C1(CNC(=[NH2+])NC2CCCC2)Cc2ccccc2C1 ZINC000267430359 222385966 /nfs/dbraw/zinc/38/59/66/222385966.db2.gz MKPVTEWHWFQDOD-UHFFFAOYSA-N 2 1 300.450 1.933 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369075181 418728801 /nfs/dbraw/zinc/72/88/01/418728801.db2.gz ORYJCLVYAVWOFV-JKSUJKDBSA-N 2 1 306.454 1.563 20 30 DDEDMP C#CCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363127132 418762642 /nfs/dbraw/zinc/76/26/42/418762642.db2.gz UZHPVPRHCOCRFF-UHFFFAOYSA-N 2 1 320.481 1.457 20 30 DDEDMP Cc1cccc(N2CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC2)[nH+]1 ZINC000424144868 228236349 /nfs/dbraw/zinc/23/63/49/228236349.db2.gz MIQLVBVZNSBCQK-OAHLLOKOSA-N 2 1 315.421 1.496 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424183282 228242519 /nfs/dbraw/zinc/24/25/19/228242519.db2.gz VEJVATPIRODUJG-DJIMGWMZSA-N 2 1 314.433 1.644 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000491372067 421197285 /nfs/dbraw/zinc/19/72/85/421197285.db2.gz HNJUNFNKRZUORI-MRXNPFEDSA-N 2 1 308.470 1.363 20 30 DDEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000557179844 421763248 /nfs/dbraw/zinc/76/32/48/421763248.db2.gz CYMXHQQXPDQXOL-UHFFFAOYSA-N 2 1 308.470 1.801 20 30 DDEDMP Cc1nc2cc(NC[C@@H](O)CN(C)CCC#N)ccc2n1C ZINC000521995571 421810399 /nfs/dbraw/zinc/81/03/99/421810399.db2.gz IYIGUSFGFRHYMN-CQSZACIVSA-N 2 1 301.394 1.500 20 30 DDEDMP C=CCOCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649860 422535165 /nfs/dbraw/zinc/53/51/65/422535165.db2.gz WIUOWRNOWNWEFJ-GOSISDBHSA-N 2 1 304.434 1.806 20 30 DDEDMP C=CCOCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649860 422535169 /nfs/dbraw/zinc/53/51/69/422535169.db2.gz WIUOWRNOWNWEFJ-GOSISDBHSA-N 2 1 304.434 1.806 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)nn1 ZINC000655940083 424694165 /nfs/dbraw/zinc/69/41/65/424694165.db2.gz OVLZYCVYNPIBNO-RDJZCZTQSA-N 2 1 319.453 1.573 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000349037193 266146879 /nfs/dbraw/zinc/14/68/79/266146879.db2.gz RQRYMIZAQOWSSQ-HNNXBMFYSA-N 2 1 304.438 1.999 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2=O)cc1 ZINC000333266135 279520165 /nfs/dbraw/zinc/52/01/65/279520165.db2.gz JLYZZWRTLPDTHS-WBVHZDCISA-N 2 1 312.417 1.785 20 30 DDEDMP N#CC1(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CCC1 ZINC000526283617 336243516 /nfs/dbraw/zinc/24/35/16/336243516.db2.gz RXCNCHPADAQMBH-UHFFFAOYSA-N 2 1 304.438 1.357 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433906030 526434221 /nfs/dbraw/zinc/43/42/21/526434221.db2.gz YTPGUGWAPWEEII-KRWDZBQOSA-N 2 1 320.481 1.953 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000491700295 526806313 /nfs/dbraw/zinc/80/63/13/526806313.db2.gz CXWIEJCDJSDHOY-JKSUJKDBSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000491700295 526806316 /nfs/dbraw/zinc/80/63/16/526806316.db2.gz CXWIEJCDJSDHOY-JKSUJKDBSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000491700295 526806321 /nfs/dbraw/zinc/80/63/21/526806321.db2.gz CXWIEJCDJSDHOY-JKSUJKDBSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000491727097 526826795 /nfs/dbraw/zinc/82/67/95/526826795.db2.gz KSUPXNCCIVJDFJ-ZIAGYGMSSA-N 2 1 316.392 1.898 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C(F)(F)C(=O)OCC)C1 ZINC000491727097 526826797 /nfs/dbraw/zinc/82/67/97/526826797.db2.gz KSUPXNCCIVJDFJ-ZIAGYGMSSA-N 2 1 316.392 1.898 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](Cc2ccccc2C)CC1 ZINC000491659910 526981003 /nfs/dbraw/zinc/98/10/03/526981003.db2.gz LSSFHINZFCEFJS-UHFFFAOYSA-N 2 1 313.445 1.689 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491167131 526987901 /nfs/dbraw/zinc/98/79/01/526987901.db2.gz WHHHFMYJCOUBIV-AEFFLSMTSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000491126347 527016614 /nfs/dbraw/zinc/01/66/14/527016614.db2.gz NETZTGCQAXJSLB-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980218640 696710622 /nfs/dbraw/zinc/71/06/22/696710622.db2.gz VLIZPOLLLHSNME-ULQDDVLXSA-N 2 1 317.477 1.875 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000971789910 695093483 /nfs/dbraw/zinc/09/34/83/695093483.db2.gz TUGHEYMEEJHNFV-OAHLLOKOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000972340885 695221535 /nfs/dbraw/zinc/22/15/35/695221535.db2.gz VIARLPUCGJTDHT-CQSZACIVSA-N 2 1 318.421 1.603 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000972340885 695221536 /nfs/dbraw/zinc/22/15/36/695221536.db2.gz VIARLPUCGJTDHT-CQSZACIVSA-N 2 1 318.421 1.603 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862355 695749270 /nfs/dbraw/zinc/74/92/70/695749270.db2.gz JTQGJTFDTYNQGS-IAGOWNOFSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975109930 695796459 /nfs/dbraw/zinc/79/64/59/695796459.db2.gz NBQOUJLZXWRBOO-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975109930 695796461 /nfs/dbraw/zinc/79/64/61/695796461.db2.gz NBQOUJLZXWRBOO-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975109930 695796464 /nfs/dbraw/zinc/79/64/64/695796464.db2.gz NBQOUJLZXWRBOO-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975109930 695796466 /nfs/dbraw/zinc/79/64/66/695796466.db2.gz NBQOUJLZXWRBOO-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977339758 696120253 /nfs/dbraw/zinc/12/02/53/696120253.db2.gz WRJWXGQNWXJPLT-KRWDZBQOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000977339758 696120254 /nfs/dbraw/zinc/12/02/54/696120254.db2.gz WRJWXGQNWXJPLT-KRWDZBQOSA-N 2 1 313.445 1.822 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000977616692 696235866 /nfs/dbraw/zinc/23/58/66/696235866.db2.gz OSTMBYSTMYPUQL-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977616692 696235867 /nfs/dbraw/zinc/23/58/67/696235867.db2.gz OSTMBYSTMYPUQL-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977616692 696235869 /nfs/dbraw/zinc/23/58/69/696235869.db2.gz OSTMBYSTMYPUQL-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977616692 696235871 /nfs/dbraw/zinc/23/58/71/696235871.db2.gz OSTMBYSTMYPUQL-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978255421 696351967 /nfs/dbraw/zinc/35/19/67/696351967.db2.gz ZFCMTTMALIMTRH-VQHPVUNQSA-N 2 1 305.466 1.444 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978255421 696351969 /nfs/dbraw/zinc/35/19/69/696351969.db2.gz ZFCMTTMALIMTRH-VQHPVUNQSA-N 2 1 305.466 1.444 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978255421 696351972 /nfs/dbraw/zinc/35/19/72/696351972.db2.gz ZFCMTTMALIMTRH-VQHPVUNQSA-N 2 1 305.466 1.444 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978271577 696355519 /nfs/dbraw/zinc/35/55/19/696355519.db2.gz MSYHASQEWAIDCJ-FJIDUMEYSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978271577 696355520 /nfs/dbraw/zinc/35/55/20/696355520.db2.gz MSYHASQEWAIDCJ-FJIDUMEYSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978271577 696355524 /nfs/dbraw/zinc/35/55/24/696355524.db2.gz MSYHASQEWAIDCJ-FJIDUMEYSA-N 2 1 315.461 1.321 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978962645 696480481 /nfs/dbraw/zinc/48/04/81/696480481.db2.gz QXCHAESDXBNTQK-PHZGNYQRSA-N 2 1 303.450 1.342 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980145324 696692032 /nfs/dbraw/zinc/69/20/32/696692032.db2.gz PNJUFOAOECPELT-XIRDDKMYSA-N 2 1 322.412 1.798 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980186789 696703433 /nfs/dbraw/zinc/70/34/33/696703433.db2.gz ORVMMWDANQPTSR-OKZBNKHCSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486103 696784513 /nfs/dbraw/zinc/78/45/13/696784513.db2.gz QHEBHPCSINHMBW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981847829 696941467 /nfs/dbraw/zinc/94/14/67/696941467.db2.gz GWPIGLWWOMNHKD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981847829 696941469 /nfs/dbraw/zinc/94/14/69/696941469.db2.gz GWPIGLWWOMNHKD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981847829 696941471 /nfs/dbraw/zinc/94/14/71/696941471.db2.gz GWPIGLWWOMNHKD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981872554 696950067 /nfs/dbraw/zinc/95/00/67/696950067.db2.gz WOLYHRHNSZZEAM-UHFFFAOYSA-N 2 1 322.412 1.896 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981958605 696984891 /nfs/dbraw/zinc/98/48/91/696984891.db2.gz GRUCTMBHJLJNHJ-INIZCTEOSA-N 2 1 314.433 1.312 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981958605 696984894 /nfs/dbraw/zinc/98/48/94/696984894.db2.gz GRUCTMBHJLJNHJ-INIZCTEOSA-N 2 1 314.433 1.312 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981183924 697028220 /nfs/dbraw/zinc/02/82/20/697028220.db2.gz HPUCVSNFENMYTI-ZIAGYGMSSA-N 2 1 320.437 1.943 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982296676 697086665 /nfs/dbraw/zinc/08/66/65/697086665.db2.gz XIWDQMGORRPWKE-CALCHBBNSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553779 697149394 /nfs/dbraw/zinc/14/93/94/697149394.db2.gz QFFMEINURIWVOF-OGWHTMIXSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553779 697149395 /nfs/dbraw/zinc/14/93/95/697149395.db2.gz QFFMEINURIWVOF-OGWHTMIXSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553779 697149396 /nfs/dbraw/zinc/14/93/96/697149396.db2.gz QFFMEINURIWVOF-OGWHTMIXSA-N 2 1 317.477 1.378 20 30 DDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000303791436 698607747 /nfs/dbraw/zinc/60/77/47/698607747.db2.gz XODBKECWWCCQPW-HZPDHXFCSA-N 3 1 311.518 1.741 20 30 DDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)N(C)C ZINC000303791436 698607748 /nfs/dbraw/zinc/60/77/48/698607748.db2.gz XODBKECWWCCQPW-HZPDHXFCSA-N 2 1 311.518 1.741 20 30 DDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)N(C)C ZINC000303791436 698607750 /nfs/dbraw/zinc/60/77/50/698607750.db2.gz XODBKECWWCCQPW-HZPDHXFCSA-N 2 1 311.518 1.741 20 30 DDEDMP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000304758412 698624054 /nfs/dbraw/zinc/62/40/54/698624054.db2.gz PYIHPWXXMNNINA-AWEZNQCLSA-N 2 1 306.479 1.870 20 30 DDEDMP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000304758412 698624057 /nfs/dbraw/zinc/62/40/57/698624057.db2.gz PYIHPWXXMNNINA-AWEZNQCLSA-N 2 1 306.479 1.870 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989451577 698626762 /nfs/dbraw/zinc/62/67/62/698626762.db2.gz UEBRIQZBEPRCNI-KGLIPLIRSA-N 2 1 316.405 1.096 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767786 699154060 /nfs/dbraw/zinc/15/40/60/699154060.db2.gz YUWDJFSICSYUPV-UIBIWLFHSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767786 699154061 /nfs/dbraw/zinc/15/40/61/699154061.db2.gz YUWDJFSICSYUPV-UIBIWLFHSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767786 699154062 /nfs/dbraw/zinc/15/40/62/699154062.db2.gz YUWDJFSICSYUPV-UIBIWLFHSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990788080 699159542 /nfs/dbraw/zinc/15/95/42/699159542.db2.gz GMTHUIOZRKMLGB-CBZIJGRNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990788080 699159544 /nfs/dbraw/zinc/15/95/44/699159544.db2.gz GMTHUIOZRKMLGB-CBZIJGRNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990788080 699159546 /nfs/dbraw/zinc/15/95/46/699159546.db2.gz GMTHUIOZRKMLGB-CBZIJGRNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000730106274 699501654 /nfs/dbraw/zinc/50/16/54/699501654.db2.gz WXJNHOOMBDBCER-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000730106274 699501656 /nfs/dbraw/zinc/50/16/56/699501656.db2.gz WXJNHOOMBDBCER-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000730106274 699501658 /nfs/dbraw/zinc/50/16/58/699501658.db2.gz WXJNHOOMBDBCER-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000730106274 699501660 /nfs/dbraw/zinc/50/16/60/699501660.db2.gz WXJNHOOMBDBCER-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000732305876 699554818 /nfs/dbraw/zinc/55/48/18/699554818.db2.gz GDZHRSOIVAZBPC-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000732305876 699554819 /nfs/dbraw/zinc/55/48/19/699554819.db2.gz GDZHRSOIVAZBPC-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC000743489578 699914653 /nfs/dbraw/zinc/91/46/53/699914653.db2.gz HUEJWSFCZMTKCG-UHFFFAOYSA-N 2 1 302.422 1.576 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868284076 702041884 /nfs/dbraw/zinc/04/18/84/702041884.db2.gz OSQKPIRNVLPJAQ-ZBFHGGJFSA-N 2 1 306.454 1.372 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000813824753 702421255 /nfs/dbraw/zinc/42/12/55/702421255.db2.gz QVNPTSOPTZLUIC-DOTOQJQBSA-N 2 1 301.434 1.883 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000813824756 702421494 /nfs/dbraw/zinc/42/14/94/702421494.db2.gz QVNPTSOPTZLUIC-WBVHZDCISA-N 2 1 301.434 1.883 20 30 DDEDMP c1ccc(C[N@@H+]2C[C@H]3CCCC(N=NC4=[NH+]CCN4)[C@@H]3C2)cc1 ZINC000841662027 702523394 /nfs/dbraw/zinc/52/33/94/702523394.db2.gz VKIIUNLBKHQVIU-HZPDHXFCSA-N 2 1 311.433 1.823 20 30 DDEDMP c1ccc(C[N@H+]2C[C@H]3CCCC(N=NC4=[NH+]CCN4)[C@@H]3C2)cc1 ZINC000841662027 702523398 /nfs/dbraw/zinc/52/33/98/702523398.db2.gz VKIIUNLBKHQVIU-HZPDHXFCSA-N 2 1 311.433 1.823 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852761157 704117965 /nfs/dbraw/zinc/11/79/65/704117965.db2.gz RQYXZYJEDJPLTE-ZWKOTPCHSA-N 2 1 317.433 1.634 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852761157 704117967 /nfs/dbraw/zinc/11/79/67/704117967.db2.gz RQYXZYJEDJPLTE-ZWKOTPCHSA-N 2 1 317.433 1.634 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214063 704822927 /nfs/dbraw/zinc/82/29/27/704822927.db2.gz LQBIWLRCRJAFRJ-HNNXBMFYSA-N 2 1 316.449 1.941 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000880610510 707040208 /nfs/dbraw/zinc/04/02/08/707040208.db2.gz SMMOFYQTQHCOTN-UHFFFAOYSA-N 2 1 317.437 1.915 20 30 DDEDMP C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000873198642 707764079 /nfs/dbraw/zinc/76/40/79/707764079.db2.gz SUWABTZPVGUHGP-JCNLHEQBSA-N 2 1 313.449 1.510 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000884124813 708149883 /nfs/dbraw/zinc/14/98/83/708149883.db2.gz HTKQGMURNFNPNS-ARFHVFGLSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000884124813 708149886 /nfs/dbraw/zinc/14/98/86/708149886.db2.gz HTKQGMURNFNPNS-ARFHVFGLSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000884124813 708149890 /nfs/dbraw/zinc/14/98/90/708149890.db2.gz HTKQGMURNFNPNS-ARFHVFGLSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000884124813 708149892 /nfs/dbraw/zinc/14/98/92/708149892.db2.gz HTKQGMURNFNPNS-ARFHVFGLSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC(=C)C)CC2)C1 ZINC000884131084 708153277 /nfs/dbraw/zinc/15/32/77/708153277.db2.gz AUULMDASPGKFHQ-KRWDZBQOSA-N 2 1 318.465 1.424 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CC(=C)C)CC2)C1 ZINC000884131084 708153280 /nfs/dbraw/zinc/15/32/80/708153280.db2.gz AUULMDASPGKFHQ-KRWDZBQOSA-N 2 1 318.465 1.424 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900797517 709763042 /nfs/dbraw/zinc/76/30/42/709763042.db2.gz FSZSJJUSGWIXBA-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H](C)[NH+]2CC[C@H](CC#C)C2)C1 ZINC000931714421 714167495 /nfs/dbraw/zinc/16/74/95/714167495.db2.gz GWZIDHSTHFDRBZ-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CC[C@H](CC#C)C2)C1 ZINC000931714421 714167498 /nfs/dbraw/zinc/16/74/98/714167498.db2.gz GWZIDHSTHFDRBZ-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CC[C@H](CC#C)C2)C1 ZINC000931714421 714167500 /nfs/dbraw/zinc/16/75/00/714167500.db2.gz GWZIDHSTHFDRBZ-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000957605831 715967485 /nfs/dbraw/zinc/96/74/85/715967485.db2.gz LPZXHUSBRSOTQC-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(CC)CC)C[C@H]21 ZINC000960344912 716499042 /nfs/dbraw/zinc/49/90/42/716499042.db2.gz IGMDARPCEJKRTB-XWTMOSNGSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC000960344912 716499043 /nfs/dbraw/zinc/49/90/43/716499043.db2.gz IGMDARPCEJKRTB-XWTMOSNGSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(CC)CC)C[C@H]21 ZINC000960344912 716499045 /nfs/dbraw/zinc/49/90/45/716499045.db2.gz IGMDARPCEJKRTB-XWTMOSNGSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(CC)CC)C[C@H]21 ZINC000960344912 716499047 /nfs/dbraw/zinc/49/90/47/716499047.db2.gz IGMDARPCEJKRTB-XWTMOSNGSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960716662 716666877 /nfs/dbraw/zinc/66/68/77/716666877.db2.gz ZWFJKYSVSAPQPI-FVQHAEBGSA-N 2 1 308.385 1.326 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961278370 716892125 /nfs/dbraw/zinc/89/21/25/716892125.db2.gz CAGVSINYOQMISX-ROUUACIJSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940914388 717025590 /nfs/dbraw/zinc/02/55/90/717025590.db2.gz MHLFJGSAMJMJIF-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002342 717069995 /nfs/dbraw/zinc/06/99/95/717069995.db2.gz HQYZEOUMQVNCAA-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941163519 717119369 /nfs/dbraw/zinc/11/93/69/717119369.db2.gz MDAHAXWAUQNMIR-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941163519 717119371 /nfs/dbraw/zinc/11/93/71/717119371.db2.gz MDAHAXWAUQNMIR-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941163519 717119373 /nfs/dbraw/zinc/11/93/73/717119373.db2.gz MDAHAXWAUQNMIR-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963336805 717747661 /nfs/dbraw/zinc/74/76/61/717747661.db2.gz HEDMBAFNZQASNN-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963336805 717747666 /nfs/dbraw/zinc/74/76/66/717747666.db2.gz HEDMBAFNZQASNN-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963412452 717780819 /nfs/dbraw/zinc/78/08/19/717780819.db2.gz BGLDXTATVVNOEG-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946592750 718845840 /nfs/dbraw/zinc/84/58/40/718845840.db2.gz XAAAVLSBBJGQKJ-KSZLIROESA-N 2 1 317.477 1.685 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCC)C[C@H]2CC1 ZINC000946628514 718857877 /nfs/dbraw/zinc/85/78/77/718857877.db2.gz VNNVQOAVOOFDOW-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCC)C[C@H]2CC1 ZINC000946628514 718857881 /nfs/dbraw/zinc/85/78/81/718857881.db2.gz VNNVQOAVOOFDOW-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC)C[C@H]2CC1 ZINC000946628514 718857886 /nfs/dbraw/zinc/85/78/86/718857886.db2.gz VNNVQOAVOOFDOW-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCC)C[C@H]2CC1 ZINC000946628514 718857890 /nfs/dbraw/zinc/85/78/90/718857890.db2.gz VNNVQOAVOOFDOW-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758707 718900140 /nfs/dbraw/zinc/90/01/40/718900140.db2.gz RSUBTNSRTHUBSM-CALCHBBNSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]2C1 ZINC000946902813 718939979 /nfs/dbraw/zinc/93/99/79/718939979.db2.gz ZWKUDONMMNKQEE-HDICACEKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947436419 719162552 /nfs/dbraw/zinc/16/25/52/719162552.db2.gz IQINFCDEXZOHAC-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947662359 719238905 /nfs/dbraw/zinc/23/89/05/719238905.db2.gz HLSHHQFHRFCJNB-GOEBONIOSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968920370 719869111 /nfs/dbraw/zinc/86/91/11/719869111.db2.gz SXFSDNXUPWUHIH-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968920370 719869115 /nfs/dbraw/zinc/86/91/15/719869115.db2.gz SXFSDNXUPWUHIH-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968920370 719869116 /nfs/dbraw/zinc/86/91/16/719869116.db2.gz SXFSDNXUPWUHIH-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968920370 719869120 /nfs/dbraw/zinc/86/91/20/719869120.db2.gz SXFSDNXUPWUHIH-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC000949189455 719949383 /nfs/dbraw/zinc/94/93/83/719949383.db2.gz VXNBOZOYXHTEFX-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCN1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969682433 720248514 /nfs/dbraw/zinc/24/85/14/720248514.db2.gz VEIRLNPYLLLFOT-JKSUJKDBSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969682433 720248516 /nfs/dbraw/zinc/24/85/16/720248516.db2.gz VEIRLNPYLLLFOT-JKSUJKDBSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969682433 720248519 /nfs/dbraw/zinc/24/85/19/720248519.db2.gz VEIRLNPYLLLFOT-JKSUJKDBSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000969962697 720577924 /nfs/dbraw/zinc/57/79/24/720577924.db2.gz PYXDXJVYHDWLNP-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CCCN1CC(N(CC)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444011 721450206 /nfs/dbraw/zinc/45/02/06/721450206.db2.gz GSGPIIIPMWOLQT-NVXWUHKLSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972672833 735456921 /nfs/dbraw/zinc/45/69/21/735456921.db2.gz AWFDIFQFQBTFMO-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972672833 735456925 /nfs/dbraw/zinc/45/69/25/735456925.db2.gz AWFDIFQFQBTFMO-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039157523 732944887 /nfs/dbraw/zinc/94/48/87/732944887.db2.gz DOCBNDZKMJYQFP-GOSISDBHSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001100467506 733218359 /nfs/dbraw/zinc/21/83/59/733218359.db2.gz ACQWJGBTVGQBDC-UHFFFAOYSA-N 2 1 320.437 1.800 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021636307 733390991 /nfs/dbraw/zinc/39/09/91/733390991.db2.gz OXKMKTIHCMJZJY-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636307 733390996 /nfs/dbraw/zinc/39/09/96/733390996.db2.gz OXKMKTIHCMJZJY-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001027986603 738909785 /nfs/dbraw/zinc/90/97/85/738909785.db2.gz ZKNGZJOBSVUXBC-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027986603 738909789 /nfs/dbraw/zinc/90/97/89/738909789.db2.gz ZKNGZJOBSVUXBC-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001027986603 738909791 /nfs/dbraw/zinc/90/97/91/738909791.db2.gz ZKNGZJOBSVUXBC-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087317955 736078759 /nfs/dbraw/zinc/07/87/59/736078759.db2.gz PDRYLVOITGWRKS-HYVNUMGLSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676303 736509508 /nfs/dbraw/zinc/50/95/08/736509508.db2.gz DKZIDCQLJCWKNU-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164117 751398384 /nfs/dbraw/zinc/39/83/84/751398384.db2.gz UINXRJAQWSCUBL-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027471907 738325160 /nfs/dbraw/zinc/32/51/60/738325160.db2.gz WRXTXDDALBWMOJ-HUUCEWRRSA-N 2 1 314.433 1.379 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001027486536 738341825 /nfs/dbraw/zinc/34/18/25/738341825.db2.gz GLOZQBXYZUMMSI-MRXNPFEDSA-N 2 1 323.400 1.437 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027981813 738904649 /nfs/dbraw/zinc/90/46/49/738904649.db2.gz IMRWBHRCZNFZME-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041372892 739111562 /nfs/dbraw/zinc/11/15/62/739111562.db2.gz SJBDYSZLEZXEEO-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041372892 739111563 /nfs/dbraw/zinc/11/15/63/739111563.db2.gz SJBDYSZLEZXEEO-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041372892 739111565 /nfs/dbraw/zinc/11/15/65/739111565.db2.gz SJBDYSZLEZXEEO-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028180911 739129331 /nfs/dbraw/zinc/12/93/31/739129331.db2.gz IRATVADASUICTD-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001028180911 739129334 /nfs/dbraw/zinc/12/93/34/739129334.db2.gz IRATVADASUICTD-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028180911 739129336 /nfs/dbraw/zinc/12/93/36/739129336.db2.gz IRATVADASUICTD-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP COc1nc(NC(=[NH2+])NCCCC[NH3+])c(C#N)c(C)c1Cl ZINC001167878028 739165175 /nfs/dbraw/zinc/16/51/75/739165175.db2.gz MPKFVKDXVJSBOX-UHFFFAOYSA-N 2 1 310.789 1.599 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766601 740012408 /nfs/dbraw/zinc/01/24/08/740012408.db2.gz WPSXDCHBXRNOFR-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766601 740012412 /nfs/dbraw/zinc/01/24/12/740012412.db2.gz WPSXDCHBXRNOFR-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800127 740057588 /nfs/dbraw/zinc/05/75/88/740057588.db2.gz PDYRFRSTIJJOTA-GJZGRUSLSA-N 2 1 302.422 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800127 740057590 /nfs/dbraw/zinc/05/75/90/740057590.db2.gz PDYRFRSTIJJOTA-GJZGRUSLSA-N 2 1 302.422 1.378 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087598623 740671704 /nfs/dbraw/zinc/67/17/04/740671704.db2.gz RMZZROZUMNZEET-OKZBNKHCSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087598623 740671705 /nfs/dbraw/zinc/67/17/05/740671705.db2.gz RMZZROZUMNZEET-OKZBNKHCSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087598623 740671707 /nfs/dbraw/zinc/67/17/07/740671707.db2.gz RMZZROZUMNZEET-OKZBNKHCSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087994187 740936787 /nfs/dbraw/zinc/93/67/87/740936787.db2.gz VPLVIPZSIYTHDR-OWCLPIDISA-N 2 1 312.417 1.174 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087994187 740936789 /nfs/dbraw/zinc/93/67/89/740936789.db2.gz VPLVIPZSIYTHDR-OWCLPIDISA-N 2 1 312.417 1.174 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106491 741034412 /nfs/dbraw/zinc/03/44/12/741034412.db2.gz DCSIXQNMGLGCAR-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106491 741034415 /nfs/dbraw/zinc/03/44/15/741034415.db2.gz DCSIXQNMGLGCAR-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106491 741034417 /nfs/dbraw/zinc/03/44/17/741034417.db2.gz DCSIXQNMGLGCAR-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088211694 741108143 /nfs/dbraw/zinc/10/81/43/741108143.db2.gz VPESUFYAOCDACS-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088211694 741108144 /nfs/dbraw/zinc/10/81/44/741108144.db2.gz VPESUFYAOCDACS-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001088339521 741412769 /nfs/dbraw/zinc/41/27/69/741412769.db2.gz HRUMUJNTWVREEF-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001088339304 741412812 /nfs/dbraw/zinc/41/28/12/741412812.db2.gz BWCLPHPSMYNABS-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757069 742302954 /nfs/dbraw/zinc/30/29/54/742302954.db2.gz HGDFSJSWQYGBAI-XTCFQUFBSA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757069 742302958 /nfs/dbraw/zinc/30/29/58/742302958.db2.gz HGDFSJSWQYGBAI-XTCFQUFBSA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757069 742302963 /nfs/dbraw/zinc/30/29/63/742302963.db2.gz HGDFSJSWQYGBAI-XTCFQUFBSA-N 2 1 319.449 1.005 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076324034 742667253 /nfs/dbraw/zinc/66/72/53/742667253.db2.gz KTAHGCRMMVNFED-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576426 742799541 /nfs/dbraw/zinc/79/95/41/742799541.db2.gz KKMHHLAVXGZNPI-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576426 742799545 /nfs/dbraw/zinc/79/95/45/742799545.db2.gz KKMHHLAVXGZNPI-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002139115 742906655 /nfs/dbraw/zinc/90/66/55/742906655.db2.gz RQZVZIKNLZNOTC-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002139115 742906657 /nfs/dbraw/zinc/90/66/57/742906657.db2.gz RQZVZIKNLZNOTC-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180898884 742990815 /nfs/dbraw/zinc/99/08/15/742990815.db2.gz FYCZRCHHCLCZBP-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001127065626 743692782 /nfs/dbraw/zinc/69/27/82/743692782.db2.gz CGFSDCKJCBOGSG-QGZVFWFLSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184577693 744064188 /nfs/dbraw/zinc/06/41/88/744064188.db2.gz NHHXEYNCYMFZEZ-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168877 744169840 /nfs/dbraw/zinc/16/98/40/744169840.db2.gz JXYGRLKRYQPZKI-JKSUJKDBSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099007977 744239732 /nfs/dbraw/zinc/23/97/32/744239732.db2.gz BFHLXLVDXPWTAE-WMZOPIPTSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185548178 744245191 /nfs/dbraw/zinc/24/51/91/744245191.db2.gz KQKLFPGMIQHSLV-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088860901 744247973 /nfs/dbraw/zinc/24/79/73/744247973.db2.gz GTXHKODFEIYJEZ-KMFMINBZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088860901 744247976 /nfs/dbraw/zinc/24/79/76/744247976.db2.gz GTXHKODFEIYJEZ-KMFMINBZSA-N 2 1 314.433 1.356 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC12CCOCC2 ZINC001186311445 744380195 /nfs/dbraw/zinc/38/01/95/744380195.db2.gz TUAOOUXXYBHJQV-HZPDHXFCSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001030965330 744981209 /nfs/dbraw/zinc/98/12/09/744981209.db2.gz FZIXUNKDOONCMH-UHFFFAOYSA-N 2 1 301.434 1.781 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654457 745285835 /nfs/dbraw/zinc/28/58/35/745285835.db2.gz KAKSGAMWSNALGX-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654457 745285836 /nfs/dbraw/zinc/28/58/36/745285836.db2.gz KAKSGAMWSNALGX-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654457 745285838 /nfs/dbraw/zinc/28/58/38/745285838.db2.gz KAKSGAMWSNALGX-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190656520 745286996 /nfs/dbraw/zinc/28/69/96/745286996.db2.gz UNVJVNRTDSKHKY-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190656520 745287000 /nfs/dbraw/zinc/28/70/00/745287000.db2.gz UNVJVNRTDSKHKY-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191684139 745587088 /nfs/dbraw/zinc/58/70/88/745587088.db2.gz ONEHDEWTAALXOL-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191946769 745653758 /nfs/dbraw/zinc/65/37/58/745653758.db2.gz FDDYIYOUVFRBDW-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191946769 745653762 /nfs/dbraw/zinc/65/37/62/745653762.db2.gz FDDYIYOUVFRBDW-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946769 745653766 /nfs/dbraw/zinc/65/37/66/745653766.db2.gz FDDYIYOUVFRBDW-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946769 745653769 /nfs/dbraw/zinc/65/37/69/745653769.db2.gz FDDYIYOUVFRBDW-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398349 745783966 /nfs/dbraw/zinc/78/39/66/745783966.db2.gz PDRCTHYWQHOABW-INIZCTEOSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192398349 745783968 /nfs/dbraw/zinc/78/39/68/745783968.db2.gz PDRCTHYWQHOABW-INIZCTEOSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192398349 745783971 /nfs/dbraw/zinc/78/39/71/745783971.db2.gz PDRCTHYWQHOABW-INIZCTEOSA-N 2 1 323.481 1.147 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001193755911 746197514 /nfs/dbraw/zinc/19/75/14/746197514.db2.gz MXXLQTXSRLDXGP-GVDBMIGSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001193755911 746197517 /nfs/dbraw/zinc/19/75/17/746197517.db2.gz MXXLQTXSRLDXGP-GVDBMIGSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001193755911 746197524 /nfs/dbraw/zinc/19/75/24/746197524.db2.gz MXXLQTXSRLDXGP-GVDBMIGSSA-N 2 1 323.481 1.377 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCC(=C)C)C2)CC1 ZINC001194246022 746318469 /nfs/dbraw/zinc/31/84/69/746318469.db2.gz JBKMNFYXUIYHNK-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCCC=C)C2)CC1 ZINC001194247624 746319512 /nfs/dbraw/zinc/31/95/12/746319512.db2.gz YMSNHDDBILTWLX-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)[C@@H]2C)CC1 ZINC000994494788 746691063 /nfs/dbraw/zinc/69/10/63/746691063.db2.gz FSKYMEGQVUAQEJ-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001196200822 746795340 /nfs/dbraw/zinc/79/53/40/746795340.db2.gz QPRZRMYWFCNQNR-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196200822 746795344 /nfs/dbraw/zinc/79/53/44/746795344.db2.gz QPRZRMYWFCNQNR-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001196200822 746795349 /nfs/dbraw/zinc/79/53/49/746795349.db2.gz QPRZRMYWFCNQNR-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441200 746907605 /nfs/dbraw/zinc/90/76/05/746907605.db2.gz GIPHLAQHHBORGN-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441200 746907610 /nfs/dbraw/zinc/90/76/10/746907610.db2.gz GIPHLAQHHBORGN-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384191 747090537 /nfs/dbraw/zinc/09/05/37/747090537.db2.gz NESRNJJYLVTXHJ-OAHLLOKOSA-N 2 1 317.433 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016384191 747090543 /nfs/dbraw/zinc/09/05/43/747090543.db2.gz NESRNJJYLVTXHJ-OAHLLOKOSA-N 2 1 317.433 1.949 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334214 747134462 /nfs/dbraw/zinc/13/44/62/747134462.db2.gz VQJVBWNGROWZOS-BFHRDPOASA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197447440 747153666 /nfs/dbraw/zinc/15/36/66/747153666.db2.gz GJQKVACFZXUHPK-UHFFFAOYSA-N 2 1 321.465 1.047 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001197447440 747153669 /nfs/dbraw/zinc/15/36/69/747153669.db2.gz GJQKVACFZXUHPK-UHFFFAOYSA-N 2 1 321.465 1.047 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)CC(C)(C)C1 ZINC001089549362 747197788 /nfs/dbraw/zinc/19/77/88/747197788.db2.gz XFJDXRNBRSKUTE-HNNXBMFYSA-N 2 1 316.449 1.891 20 30 DDEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673263 747362021 /nfs/dbraw/zinc/36/20/21/747362021.db2.gz CDXPDIHUJHNSSB-QGZVFWFLSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001036109326 752179017 /nfs/dbraw/zinc/17/90/17/752179017.db2.gz AZAYQTAGDLRZEG-FZMZJTMJSA-N 2 1 310.829 1.771 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001036118186 752187739 /nfs/dbraw/zinc/18/77/39/752187739.db2.gz PSBMRWFKTQYUEV-LSDHHAIUSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001199023396 747673514 /nfs/dbraw/zinc/67/35/14/747673514.db2.gz HQFSDAPZITYJDF-GVDBMIGSSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723911 747702812 /nfs/dbraw/zinc/70/28/12/747702812.db2.gz QABRIKVPEYTDPS-MRXNPFEDSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820520 747971621 /nfs/dbraw/zinc/97/16/21/747971621.db2.gz NLSBQEUILGDFQZ-HZMVEIRTSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820672 747973016 /nfs/dbraw/zinc/97/30/16/747973016.db2.gz NXQPAFYGCADMON-RANZSIQMSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820672 747973018 /nfs/dbraw/zinc/97/30/18/747973018.db2.gz NXQPAFYGCADMON-RANZSIQMSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820672 747973025 /nfs/dbraw/zinc/97/30/25/747973025.db2.gz NXQPAFYGCADMON-RANZSIQMSA-N 2 1 315.461 1.273 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200554112 748273576 /nfs/dbraw/zinc/27/35/76/748273576.db2.gz FXCCEMQUAZECNG-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403461 748499293 /nfs/dbraw/zinc/49/92/93/748499293.db2.gz MIMYTCSBCZCDNS-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995827888 749250699 /nfs/dbraw/zinc/25/06/99/749250699.db2.gz XFFYERMBWSPVDC-HUUCEWRRSA-N 2 1 316.449 1.856 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995891959 749277371 /nfs/dbraw/zinc/27/73/71/749277371.db2.gz DYNBPDDIUIQZRW-JKSUJKDBSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001000560062 761936544 /nfs/dbraw/zinc/93/65/44/761936544.db2.gz SSAUMYBPZJBZFA-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC000995982427 749314687 /nfs/dbraw/zinc/31/46/87/749314687.db2.gz AMWUUVDJXZTPTD-CQSZACIVSA-N 2 1 306.410 1.362 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423573 749342102 /nfs/dbraw/zinc/34/21/02/749342102.db2.gz SACWMAYPUWWYMF-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001039385248 761985491 /nfs/dbraw/zinc/98/54/91/761985491.db2.gz FAYGIBIDBJDNQY-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039385248 761985498 /nfs/dbraw/zinc/98/54/98/761985498.db2.gz FAYGIBIDBJDNQY-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039385248 761985502 /nfs/dbraw/zinc/98/55/02/761985502.db2.gz FAYGIBIDBJDNQY-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039386169 761986253 /nfs/dbraw/zinc/98/62/53/761986253.db2.gz AQAXRLSTLOXMDC-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039386169 761986255 /nfs/dbraw/zinc/98/62/55/761986255.db2.gz AQAXRLSTLOXMDC-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676007 749893295 /nfs/dbraw/zinc/89/32/95/749893295.db2.gz KPMYKTNITAPIRD-IRXDYDNUSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033889616 750038467 /nfs/dbraw/zinc/03/84/67/750038467.db2.gz ZVLOAXBLHARQGC-MRXNPFEDSA-N 2 1 310.401 1.894 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001128773544 750083856 /nfs/dbraw/zinc/08/38/56/750083856.db2.gz BBBGNCQANOOSQM-HNNXBMFYSA-N 2 1 320.462 1.700 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095684837 750141518 /nfs/dbraw/zinc/14/15/18/750141518.db2.gz YRSCFAYSEAJKSC-PMPSAXMXSA-N 2 1 301.434 1.360 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107643483 750298137 /nfs/dbraw/zinc/29/81/37/750298137.db2.gz LAWFIQQHLNHAIQ-IEBWSBKVSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039434159 762029206 /nfs/dbraw/zinc/02/92/06/762029206.db2.gz BROROBXIYKFVLC-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434159 762029218 /nfs/dbraw/zinc/02/92/18/762029218.db2.gz BROROBXIYKFVLC-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434159 762029227 /nfs/dbraw/zinc/02/92/27/762029227.db2.gz BROROBXIYKFVLC-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034460897 750440039 /nfs/dbraw/zinc/44/00/39/750440039.db2.gz HTYKVJUEVYMBRG-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001005586781 750670357 /nfs/dbraw/zinc/67/03/57/750670357.db2.gz XWFTXYKKFZCTCN-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005586851 750671391 /nfs/dbraw/zinc/67/13/91/750671391.db2.gz ZFDOAYGQGRFUFT-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942435 750752043 /nfs/dbraw/zinc/75/20/43/750752043.db2.gz SGGNHLFEXMMDRP-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107942435 750752047 /nfs/dbraw/zinc/75/20/47/750752047.db2.gz SGGNHLFEXMMDRP-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107942435 750752052 /nfs/dbraw/zinc/75/20/52/750752052.db2.gz SGGNHLFEXMMDRP-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997431590 750924892 /nfs/dbraw/zinc/92/48/92/750924892.db2.gz PMQAJQBTTJXKNR-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997431590 750924898 /nfs/dbraw/zinc/92/48/98/750924898.db2.gz PMQAJQBTTJXKNR-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095912012 751253745 /nfs/dbraw/zinc/25/37/45/751253745.db2.gz DURBWXYZRNUYOA-QZWWFDLISA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001095912012 751253748 /nfs/dbraw/zinc/25/37/48/751253748.db2.gz DURBWXYZRNUYOA-QZWWFDLISA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095912012 751253752 /nfs/dbraw/zinc/25/37/52/751253752.db2.gz DURBWXYZRNUYOA-QZWWFDLISA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095912012 751253753 /nfs/dbraw/zinc/25/37/53/751253753.db2.gz DURBWXYZRNUYOA-QZWWFDLISA-N 2 1 321.465 1.393 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035188831 751289736 /nfs/dbraw/zinc/28/97/36/751289736.db2.gz LSUHRLSQYKZHCT-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035188831 751289741 /nfs/dbraw/zinc/28/97/41/751289741.db2.gz LSUHRLSQYKZHCT-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001035188831 751289746 /nfs/dbraw/zinc/28/97/46/751289746.db2.gz LSUHRLSQYKZHCT-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001035213018 751311977 /nfs/dbraw/zinc/31/19/77/751311977.db2.gz CHLUOMPSNUWZAS-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108421479 762137241 /nfs/dbraw/zinc/13/72/41/762137241.db2.gz MODYRWRYDFEQDA-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421479 762137245 /nfs/dbraw/zinc/13/72/45/762137245.db2.gz MODYRWRYDFEQDA-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421479 762137249 /nfs/dbraw/zinc/13/72/49/762137249.db2.gz MODYRWRYDFEQDA-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421479 762137255 /nfs/dbraw/zinc/13/72/55/762137255.db2.gz MODYRWRYDFEQDA-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008338636 752681421 /nfs/dbraw/zinc/68/14/21/752681421.db2.gz DXNYUPKAHUROGT-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008338636 752681427 /nfs/dbraw/zinc/68/14/27/752681427.db2.gz DXNYUPKAHUROGT-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008751358 752900552 /nfs/dbraw/zinc/90/05/52/752900552.db2.gz ZNOMWCVBYDIHKN-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008751358 752900556 /nfs/dbraw/zinc/90/05/56/752900556.db2.gz ZNOMWCVBYDIHKN-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771778 752910720 /nfs/dbraw/zinc/91/07/20/752910720.db2.gz VJDRNFGUPOYZCK-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771778 752910725 /nfs/dbraw/zinc/91/07/25/752910725.db2.gz VJDRNFGUPOYZCK-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008771778 752910729 /nfs/dbraw/zinc/91/07/29/752910729.db2.gz VJDRNFGUPOYZCK-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008771778 752910733 /nfs/dbraw/zinc/91/07/33/752910733.db2.gz VJDRNFGUPOYZCK-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009147297 753087940 /nfs/dbraw/zinc/08/79/40/753087940.db2.gz VDNJPAFTWUNQRE-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009147297 753087945 /nfs/dbraw/zinc/08/79/45/753087945.db2.gz VDNJPAFTWUNQRE-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181112 753583719 /nfs/dbraw/zinc/58/37/19/753583719.db2.gz SCEBGMUVVDOSSO-KRWDZBQOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181112 753583723 /nfs/dbraw/zinc/58/37/23/753583723.db2.gz SCEBGMUVVDOSSO-KRWDZBQOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169162487 762270695 /nfs/dbraw/zinc/27/06/95/762270695.db2.gz TZSACYDULXGIEC-JONQDZQNSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169162487 762270701 /nfs/dbraw/zinc/27/07/01/762270701.db2.gz TZSACYDULXGIEC-JONQDZQNSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169162487 762270707 /nfs/dbraw/zinc/27/07/07/762270707.db2.gz TZSACYDULXGIEC-JONQDZQNSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169162487 762270710 /nfs/dbraw/zinc/27/07/10/762270710.db2.gz TZSACYDULXGIEC-JONQDZQNSA-N 2 1 307.438 1.988 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078680855 754297367 /nfs/dbraw/zinc/29/73/67/754297367.db2.gz UKRWCHYKVMMDCX-CABCVRRESA-N 2 1 302.422 1.785 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001922815 754581744 /nfs/dbraw/zinc/58/17/44/754581744.db2.gz CBVHTLWFMCCNIM-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC001040014657 762315217 /nfs/dbraw/zinc/31/52/17/762315217.db2.gz PETRISBEYJXQIV-HDICACEKSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342534 755858109 /nfs/dbraw/zinc/85/81/09/755858109.db2.gz ZNLZAQJRMIDLGL-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342534 755858113 /nfs/dbraw/zinc/85/81/13/755858113.db2.gz ZNLZAQJRMIDLGL-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040241408 762454011 /nfs/dbraw/zinc/45/40/11/762454011.db2.gz NXEHZJFWDYYSSZ-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241408 762454015 /nfs/dbraw/zinc/45/40/15/762454015.db2.gz NXEHZJFWDYYSSZ-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241408 762454020 /nfs/dbraw/zinc/45/40/20/762454020.db2.gz NXEHZJFWDYYSSZ-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP O=C(N[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001016001591 756711961 /nfs/dbraw/zinc/71/19/61/756711961.db2.gz MFZFGLJTEARHQV-GOSISDBHSA-N 2 1 323.440 1.324 20 30 DDEDMP O=C(N[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001016001591 756711963 /nfs/dbraw/zinc/71/19/63/756711963.db2.gz MFZFGLJTEARHQV-GOSISDBHSA-N 2 1 323.440 1.324 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040393581 762523053 /nfs/dbraw/zinc/52/30/53/762523053.db2.gz CAIOGZQDECBIIL-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393581 762523058 /nfs/dbraw/zinc/52/30/58/762523058.db2.gz CAIOGZQDECBIIL-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393581 762523065 /nfs/dbraw/zinc/52/30/65/762523065.db2.gz CAIOGZQDECBIIL-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040398420 762524217 /nfs/dbraw/zinc/52/42/17/762524217.db2.gz HZZDIJSXKXJTHI-WMZOPIPTSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087472 757276262 /nfs/dbraw/zinc/27/62/62/757276262.db2.gz OGCNQHNICVTDPG-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694881 757373545 /nfs/dbraw/zinc/37/35/45/757373545.db2.gz IOQCOQMKZGVORS-TVFCKZIOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694881 757373551 /nfs/dbraw/zinc/37/35/51/757373551.db2.gz IOQCOQMKZGVORS-TVFCKZIOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694881 757373567 /nfs/dbraw/zinc/37/35/67/757373567.db2.gz IOQCOQMKZGVORS-TVFCKZIOSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545661 757654160 /nfs/dbraw/zinc/65/41/60/757654160.db2.gz SUGVXPUEDJIZCL-ZACQAIPSSA-N 2 1 303.450 1.580 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948243 757997829 /nfs/dbraw/zinc/99/78/29/757997829.db2.gz ZKLQKSHRYSXKMW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948243 757997835 /nfs/dbraw/zinc/99/78/35/757997835.db2.gz ZKLQKSHRYSXKMW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948243 757997843 /nfs/dbraw/zinc/99/78/43/757997843.db2.gz ZKLQKSHRYSXKMW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948243 757997847 /nfs/dbraw/zinc/99/78/47/757997847.db2.gz ZKLQKSHRYSXKMW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569608 758039206 /nfs/dbraw/zinc/03/92/06/758039206.db2.gz OASKUNYRWLZONH-YYIAUSFCSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001017569608 758039216 /nfs/dbraw/zinc/03/92/16/758039216.db2.gz OASKUNYRWLZONH-YYIAUSFCSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001017569608 758039226 /nfs/dbraw/zinc/03/92/26/758039226.db2.gz OASKUNYRWLZONH-YYIAUSFCSA-N 2 1 319.449 1.101 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001017569608 758039237 /nfs/dbraw/zinc/03/92/37/758039237.db2.gz OASKUNYRWLZONH-YYIAUSFCSA-N 2 1 319.449 1.101 20 30 DDEDMP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610259 758079101 /nfs/dbraw/zinc/07/91/01/758079101.db2.gz DBLZJEGYVDIBTO-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001053428732 758455145 /nfs/dbraw/zinc/45/51/45/758455145.db2.gz UPTBICFYRQWPMN-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001053428732 758455150 /nfs/dbraw/zinc/45/51/50/758455150.db2.gz UPTBICFYRQWPMN-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018174665 758602334 /nfs/dbraw/zinc/60/23/34/758602334.db2.gz FTLZZBNKLPDSFC-TWMKSMIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018174665 758602341 /nfs/dbraw/zinc/60/23/41/758602341.db2.gz FTLZZBNKLPDSFC-TWMKSMIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001054141775 759216492 /nfs/dbraw/zinc/21/64/92/759216492.db2.gz PHMJLLYFCFIOQF-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141775 759216497 /nfs/dbraw/zinc/21/64/97/759216497.db2.gz PHMJLLYFCFIOQF-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001054141775 759216500 /nfs/dbraw/zinc/21/65/00/759216500.db2.gz PHMJLLYFCFIOQF-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108215741 760407547 /nfs/dbraw/zinc/40/75/47/760407547.db2.gz IDKPMFLZOZCSRE-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215741 760407548 /nfs/dbraw/zinc/40/75/48/760407548.db2.gz IDKPMFLZOZCSRE-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215741 760407549 /nfs/dbraw/zinc/40/75/49/760407549.db2.gz IDKPMFLZOZCSRE-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866469 760410798 /nfs/dbraw/zinc/41/07/98/760410798.db2.gz JCLWKPHMESGVMO-MRXNPFEDSA-N 2 1 319.453 1.167 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086106940 760991571 /nfs/dbraw/zinc/99/15/71/760991571.db2.gz DQDRKYHLSZCTEN-MJBXVCDLSA-N 2 1 322.840 1.997 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038348356 761034418 /nfs/dbraw/zinc/03/44/18/761034418.db2.gz BXQODQIOWAAVFU-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038348356 761034428 /nfs/dbraw/zinc/03/44/28/761034428.db2.gz BXQODQIOWAAVFU-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348356 761034438 /nfs/dbraw/zinc/03/44/38/761034438.db2.gz BXQODQIOWAAVFU-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038348356 761034447 /nfs/dbraw/zinc/03/44/47/761034447.db2.gz BXQODQIOWAAVFU-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001000204471 761572264 /nfs/dbraw/zinc/57/22/64/761572264.db2.gz ACNDBHAXLCPXQB-CQSZACIVSA-N 2 1 318.421 1.651 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039134653 761769666 /nfs/dbraw/zinc/76/96/66/761769666.db2.gz ADQMGPDAMZDCMU-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159007 761785226 /nfs/dbraw/zinc/78/52/26/761785226.db2.gz ADQMGPDAMZDCMU-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001040849055 762705082 /nfs/dbraw/zinc/70/50/82/762705082.db2.gz OCESBPSVCJXHKB-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001001464673 762886936 /nfs/dbraw/zinc/88/69/36/762886936.db2.gz YZIALKMAZAUTEI-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001464673 762886942 /nfs/dbraw/zinc/88/69/42/762886942.db2.gz YZIALKMAZAUTEI-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001464673 762886948 /nfs/dbraw/zinc/88/69/48/762886948.db2.gz YZIALKMAZAUTEI-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001464673 762886955 /nfs/dbraw/zinc/88/69/55/762886955.db2.gz YZIALKMAZAUTEI-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001108765083 762925298 /nfs/dbraw/zinc/92/52/98/762925298.db2.gz JSJFZWPYFOEIET-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041300665 762945014 /nfs/dbraw/zinc/94/50/14/762945014.db2.gz JCNDJVXCYAOTIY-LZLYRXPVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300665 762945018 /nfs/dbraw/zinc/94/50/18/762945018.db2.gz JCNDJVXCYAOTIY-LZLYRXPVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300665 762945021 /nfs/dbraw/zinc/94/50/21/762945021.db2.gz JCNDJVXCYAOTIY-LZLYRXPVSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359124 762979570 /nfs/dbraw/zinc/97/95/70/762979570.db2.gz RWTGFHHJWZGXAJ-QAPCUYQASA-N 2 1 314.433 1.871 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359124 762979577 /nfs/dbraw/zinc/97/95/77/762979577.db2.gz RWTGFHHJWZGXAJ-QAPCUYQASA-N 2 1 314.433 1.871 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050046794 763058877 /nfs/dbraw/zinc/05/88/77/763058877.db2.gz JBVREVLCOIKIQX-OKZBNKHCSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041475243 763060506 /nfs/dbraw/zinc/06/05/06/763060506.db2.gz JCHOZICIBVVHNU-LJQANCHMSA-N 2 1 322.412 1.896 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624582 763184181 /nfs/dbraw/zinc/18/41/81/763184181.db2.gz BLBHNLIPGAEZHB-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723170 763253504 /nfs/dbraw/zinc/25/35/04/763253504.db2.gz DGVIHVTVARMXAD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723170 763253510 /nfs/dbraw/zinc/25/35/10/763253510.db2.gz DGVIHVTVARMXAD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723170 763253522 /nfs/dbraw/zinc/25/35/22/763253522.db2.gz DGVIHVTVARMXAD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169992038 763554310 /nfs/dbraw/zinc/55/43/10/763554310.db2.gz UKPIAHVEKQQBKC-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169992038 763554314 /nfs/dbraw/zinc/55/43/14/763554314.db2.gz UKPIAHVEKQQBKC-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109361116 763604329 /nfs/dbraw/zinc/60/43/29/763604329.db2.gz MATUYWMDTVJKBK-WCVJEAGWSA-N 2 1 311.445 1.964 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC=C ZINC001109415003 763680459 /nfs/dbraw/zinc/68/04/59/763680459.db2.gz YDPUQDWGWPKVKC-OWSLCNJRSA-N 2 1 315.461 1.772 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001050542269 763732889 /nfs/dbraw/zinc/73/28/89/763732889.db2.gz BPNRCQRSWTWSRE-OAHLLOKOSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050635784 763848077 /nfs/dbraw/zinc/84/80/77/763848077.db2.gz RUTVSSQGWYVDAZ-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661057 763883527 /nfs/dbraw/zinc/88/35/27/763883527.db2.gz NSCHWJQDCSBTRZ-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050663371 763888352 /nfs/dbraw/zinc/88/83/52/763888352.db2.gz RYRURDLFXLNARG-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042367668 763970923 /nfs/dbraw/zinc/97/09/23/763970923.db2.gz JWKDTUOGKJDNOA-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567262 764410044 /nfs/dbraw/zinc/41/00/44/764410044.db2.gz FMCYWENKHDSQLC-WMZOPIPTSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307378 764728408 /nfs/dbraw/zinc/72/84/08/764728408.db2.gz YAPNSFLQNWIONR-KRWDZBQOSA-N 2 1 311.429 1.246 20 30 DDEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307378 764728412 /nfs/dbraw/zinc/72/84/12/764728412.db2.gz YAPNSFLQNWIONR-KRWDZBQOSA-N 2 1 311.429 1.246 20 30 DDEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307378 764728416 /nfs/dbraw/zinc/72/84/16/764728416.db2.gz YAPNSFLQNWIONR-KRWDZBQOSA-N 2 1 311.429 1.246 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131692031 768275351 /nfs/dbraw/zinc/27/53/51/768275351.db2.gz CPPJLZTUYCCACA-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692031 768275356 /nfs/dbraw/zinc/27/53/56/768275356.db2.gz CPPJLZTUYCCACA-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692031 768275361 /nfs/dbraw/zinc/27/53/61/768275361.db2.gz CPPJLZTUYCCACA-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395382 765785294 /nfs/dbraw/zinc/78/52/94/765785294.db2.gz RDFOEBGEXRCCQT-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395382 765785298 /nfs/dbraw/zinc/78/52/98/765785298.db2.gz RDFOEBGEXRCCQT-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395382 765785302 /nfs/dbraw/zinc/78/53/02/765785302.db2.gz RDFOEBGEXRCCQT-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001052458687 765847954 /nfs/dbraw/zinc/84/79/54/765847954.db2.gz GJXLWOBRIOQJDO-FRGIFYTLSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC001052458687 765847963 /nfs/dbraw/zinc/84/79/63/765847963.db2.gz GJXLWOBRIOQJDO-FRGIFYTLSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC001052458687 765847970 /nfs/dbraw/zinc/84/79/70/765847970.db2.gz GJXLWOBRIOQJDO-FRGIFYTLSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC001052458687 765847977 /nfs/dbraw/zinc/84/79/77/765847977.db2.gz GJXLWOBRIOQJDO-FRGIFYTLSA-N 2 1 323.868 1.807 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653931 766041703 /nfs/dbraw/zinc/04/17/03/766041703.db2.gz SYPSDTXPPBMBBC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653931 766041711 /nfs/dbraw/zinc/04/17/11/766041711.db2.gz SYPSDTXPPBMBBC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653931 766041719 /nfs/dbraw/zinc/04/17/19/766041719.db2.gz SYPSDTXPPBMBBC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653931 766041727 /nfs/dbraw/zinc/04/17/27/766041727.db2.gz SYPSDTXPPBMBBC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052658208 766046450 /nfs/dbraw/zinc/04/64/50/766046450.db2.gz HLYURYXHMRFVKL-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052658208 766046458 /nfs/dbraw/zinc/04/64/58/766046458.db2.gz HLYURYXHMRFVKL-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658208 766046461 /nfs/dbraw/zinc/04/64/61/766046461.db2.gz HLYURYXHMRFVKL-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658208 766046468 /nfs/dbraw/zinc/04/64/68/766046468.db2.gz HLYURYXHMRFVKL-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170211484 766171619 /nfs/dbraw/zinc/17/16/19/766171619.db2.gz NNDOEEXSJUMVGC-UHFFFAOYSA-N 2 1 306.248 1.333 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001045555822 766398593 /nfs/dbraw/zinc/39/85/93/766398593.db2.gz BCKDQTHLTLSWHH-GXTWGEPZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001045555822 766398602 /nfs/dbraw/zinc/39/86/02/766398602.db2.gz BCKDQTHLTLSWHH-GXTWGEPZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045686672 766504408 /nfs/dbraw/zinc/50/44/08/766504408.db2.gz ROJSDPBDUIFTMS-HZPDHXFCSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985615 766762518 /nfs/dbraw/zinc/76/25/18/766762518.db2.gz YHASLXSCFPVSKW-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985615 766762521 /nfs/dbraw/zinc/76/25/21/766762521.db2.gz YHASLXSCFPVSKW-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045985615 766762526 /nfs/dbraw/zinc/76/25/26/766762526.db2.gz YHASLXSCFPVSKW-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046371105 767480565 /nfs/dbraw/zinc/48/05/65/767480565.db2.gz GKGIFQQXSCZQQS-RHSMWYFYSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046371105 767480566 /nfs/dbraw/zinc/48/05/66/767480566.db2.gz GKGIFQQXSCZQQS-RHSMWYFYSA-N 2 1 302.422 1.917 20 30 DDEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001132886207 769287742 /nfs/dbraw/zinc/28/77/42/769287742.db2.gz FWHFYIZESKBZIP-WMZOPIPTSA-N 2 1 313.445 1.474 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133122525 769514188 /nfs/dbraw/zinc/51/41/88/769514188.db2.gz SCOLMIQIBPHGEC-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165385 769555443 /nfs/dbraw/zinc/55/54/43/769555443.db2.gz GCJMXXMELMYPIV-RDJZCZTQSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071605617 769703022 /nfs/dbraw/zinc/70/30/22/769703022.db2.gz BNBLFIFNHFYTMD-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071605617 769703031 /nfs/dbraw/zinc/70/30/31/769703031.db2.gz BNBLFIFNHFYTMD-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048861400 770005518 /nfs/dbraw/zinc/00/55/18/770005518.db2.gz LRLSXNQYLKMJRV-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861400 770005531 /nfs/dbraw/zinc/00/55/31/770005531.db2.gz LRLSXNQYLKMJRV-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861400 770005543 /nfs/dbraw/zinc/00/55/43/770005543.db2.gz LRLSXNQYLKMJRV-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC001048919554 770110997 /nfs/dbraw/zinc/11/09/97/770110997.db2.gz YZTCDUDALWJNRB-IYBDPMFKSA-N 2 1 308.385 1.361 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001427 770232957 /nfs/dbraw/zinc/23/29/57/770232957.db2.gz UPHBRQXQZYQIAN-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001427 770232960 /nfs/dbraw/zinc/23/29/60/770232960.db2.gz UPHBRQXQZYQIAN-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001427 770232964 /nfs/dbraw/zinc/23/29/64/770232964.db2.gz UPHBRQXQZYQIAN-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919387 770288848 /nfs/dbraw/zinc/28/88/48/770288848.db2.gz ATUCMLFJKXKPTR-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001072099366 770540820 /nfs/dbraw/zinc/54/08/20/770540820.db2.gz PUDKQTAPQQJDKR-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C1 ZINC001049215399 770555665 /nfs/dbraw/zinc/55/56/65/770555665.db2.gz BZFYDTMJUGWARP-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215399 770555667 /nfs/dbraw/zinc/55/56/67/770555667.db2.gz BZFYDTMJUGWARP-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC001049215399 770555674 /nfs/dbraw/zinc/55/56/74/770555674.db2.gz BZFYDTMJUGWARP-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235627 770583008 /nfs/dbraw/zinc/58/30/08/770583008.db2.gz QECZDLQLDWJWNK-BBWFWOEESA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478649 770907419 /nfs/dbraw/zinc/90/74/19/770907419.db2.gz QXAZXCCEHDZAOB-RCCFBDPRSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049526221 770978112 /nfs/dbraw/zinc/97/81/12/770978112.db2.gz URGJUGWNESEPFO-ARFHVFGLSA-N 2 1 312.417 1.459 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049526221 770978118 /nfs/dbraw/zinc/97/81/18/770978118.db2.gz URGJUGWNESEPFO-ARFHVFGLSA-N 2 1 312.417 1.459 20 30 DDEDMP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134810331 771188540 /nfs/dbraw/zinc/18/85/40/771188540.db2.gz XSQVEUFDUUURGM-OLZOCXBDSA-N 2 1 308.426 1.799 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086820000 771896575 /nfs/dbraw/zinc/89/65/75/771896575.db2.gz LEFIHTDURCKIBK-GVDBMIGSSA-N 2 1 305.466 1.757 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090617190 772044621 /nfs/dbraw/zinc/04/46/21/772044621.db2.gz SWFOMPWLBHGUFU-GJZGRUSLSA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090617190 772044627 /nfs/dbraw/zinc/04/46/27/772044627.db2.gz SWFOMPWLBHGUFU-GJZGRUSLSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C[NH+](C)C)cn1 ZINC001171068383 772218804 /nfs/dbraw/zinc/21/88/04/772218804.db2.gz XMWPLWFJNKPCBG-HNNXBMFYSA-N 2 1 320.437 1.782 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001146719214 772925647 /nfs/dbraw/zinc/92/56/47/772925647.db2.gz LBCBUTMISKLFTA-UHFFFAOYSA-N 2 1 321.852 1.739 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001147877011 773281402 /nfs/dbraw/zinc/28/14/02/773281402.db2.gz BXUDTGNQSQQPPL-GFCCVEGCSA-N 2 1 306.435 1.167 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148153215 773368452 /nfs/dbraw/zinc/36/84/52/773368452.db2.gz JWJCAJTUNOQYLG-UHFFFAOYSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148153215 773368455 /nfs/dbraw/zinc/36/84/55/773368455.db2.gz JWJCAJTUNOQYLG-UHFFFAOYSA-N 2 1 311.857 1.615 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091720864 773468531 /nfs/dbraw/zinc/46/85/31/773468531.db2.gz DYQFMLZODPEICP-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738478 773555359 /nfs/dbraw/zinc/55/53/59/773555359.db2.gz ZVNXSRLIGGRKLY-RYRKJORJSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091882943 773833597 /nfs/dbraw/zinc/83/35/97/773833597.db2.gz PZPOPOAGWWKPKP-AOIWGVFYSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010891 773919214 /nfs/dbraw/zinc/91/92/14/773919214.db2.gz MYTFMFKNNXATLK-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010891 773919218 /nfs/dbraw/zinc/91/92/18/773919218.db2.gz MYTFMFKNNXATLK-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010891 773919223 /nfs/dbraw/zinc/91/92/23/773919223.db2.gz MYTFMFKNNXATLK-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092675920 774215160 /nfs/dbraw/zinc/21/51/60/774215160.db2.gz PPYBTOJLNWVCBC-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092675920 774215164 /nfs/dbraw/zinc/21/51/64/774215164.db2.gz PPYBTOJLNWVCBC-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092931712 774328932 /nfs/dbraw/zinc/32/89/32/774328932.db2.gz XEHQKALRPCMVMG-IUODEOHRSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001093208857 774508874 /nfs/dbraw/zinc/50/88/74/774508874.db2.gz IUERDRLVBUMXIA-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001093208857 774508877 /nfs/dbraw/zinc/50/88/77/774508877.db2.gz IUERDRLVBUMXIA-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093208857 774508881 /nfs/dbraw/zinc/50/88/81/774508881.db2.gz IUERDRLVBUMXIA-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001093208857 774508884 /nfs/dbraw/zinc/50/88/84/774508884.db2.gz IUERDRLVBUMXIA-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036760914 774511275 /nfs/dbraw/zinc/51/12/75/774511275.db2.gz KWBILAZINZBBRF-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773031 774566702 /nfs/dbraw/zinc/56/67/02/774566702.db2.gz GNDWSNYAMPEAHF-CABCVRRESA-N 2 1 322.840 1.867 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773031 774566709 /nfs/dbraw/zinc/56/67/09/774566709.db2.gz GNDWSNYAMPEAHF-CABCVRRESA-N 2 1 322.840 1.867 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)CC1 ZINC001098461365 774587142 /nfs/dbraw/zinc/58/71/42/774587142.db2.gz XXGNKKVYCHEFAT-KURKYZTESA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001098914102 774718437 /nfs/dbraw/zinc/71/84/37/774718437.db2.gz LRIADZVEAHRYGY-KXBFYZLASA-N 2 1 322.412 1.860 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996567 774764450 /nfs/dbraw/zinc/76/44/50/774764450.db2.gz QIIWQDLKSCTOAJ-OVWQWFNUSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996567 774764452 /nfs/dbraw/zinc/76/44/52/774764452.db2.gz QIIWQDLKSCTOAJ-OVWQWFNUSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996567 774764455 /nfs/dbraw/zinc/76/44/55/774764455.db2.gz QIIWQDLKSCTOAJ-OVWQWFNUSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871096 775009667 /nfs/dbraw/zinc/00/96/67/775009667.db2.gz GLBVLUDFIUIPSO-GOEBONIOSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871096 775009675 /nfs/dbraw/zinc/00/96/75/775009675.db2.gz GLBVLUDFIUIPSO-GOEBONIOSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001100046848 775615574 /nfs/dbraw/zinc/61/55/74/775615574.db2.gz TWDBPLIACNRFLW-SJORKVTESA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560530 776029188 /nfs/dbraw/zinc/02/91/88/776029188.db2.gz RPZUEJGESMBRMO-SJLPKXTDSA-N 2 1 315.461 1.466 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001100346225 776030948 /nfs/dbraw/zinc/03/09/48/776030948.db2.gz WZVMKCDUMUUMRQ-FHERZECASA-N 2 1 316.449 1.904 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100720420 776471074 /nfs/dbraw/zinc/47/10/74/776471074.db2.gz SCHKCUSRCORJSW-UHFFFAOYSA-N 2 1 302.422 1.514 20 30 DDEDMP C[C@H](CCCC#N)[N@H+]1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001172496187 776801258 /nfs/dbraw/zinc/80/12/58/776801258.db2.gz YKTZGGQWIJBWFM-CQSZACIVSA-N 2 1 313.409 1.811 20 30 DDEDMP C[C@H](CCCC#N)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001172496187 776801268 /nfs/dbraw/zinc/80/12/68/776801268.db2.gz YKTZGGQWIJBWFM-CQSZACIVSA-N 2 1 313.409 1.811 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150723400 778654584 /nfs/dbraw/zinc/65/45/84/778654584.db2.gz KQFGZLAWFINIKT-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150723400 778654586 /nfs/dbraw/zinc/65/45/86/778654586.db2.gz KQFGZLAWFINIKT-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103436135 778865107 /nfs/dbraw/zinc/86/51/07/778865107.db2.gz LSEFCBKQXKEOCP-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436135 778865118 /nfs/dbraw/zinc/86/51/18/778865118.db2.gz LSEFCBKQXKEOCP-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436135 778865125 /nfs/dbraw/zinc/86/51/25/778865125.db2.gz LSEFCBKQXKEOCP-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001178878438 779208763 /nfs/dbraw/zinc/20/87/63/779208763.db2.gz VOYWIJAEQFVIKV-BBWFWOEESA-N 2 1 305.466 1.567 20 30 DDEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241284 779971276 /nfs/dbraw/zinc/97/12/76/779971276.db2.gz FOAKNPINBVKHBS-MWDXBVQZSA-N 2 1 307.482 1.955 20 30 DDEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115241284 779971283 /nfs/dbraw/zinc/97/12/83/779971283.db2.gz FOAKNPINBVKHBS-MWDXBVQZSA-N 2 1 307.482 1.955 20 30 DDEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115241284 779971290 /nfs/dbraw/zinc/97/12/90/779971290.db2.gz FOAKNPINBVKHBS-MWDXBVQZSA-N 2 1 307.482 1.955 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(C)C)C(C)C ZINC001267274412 837722105 /nfs/dbraw/zinc/72/21/05/837722105.db2.gz VELMFMZLWGJZOL-KRWDZBQOSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(C)C)C(C)C ZINC001267274412 837722110 /nfs/dbraw/zinc/72/21/10/837722110.db2.gz VELMFMZLWGJZOL-KRWDZBQOSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(C)C)C(C)C ZINC001267274412 837722118 /nfs/dbraw/zinc/72/21/18/837722118.db2.gz VELMFMZLWGJZOL-KRWDZBQOSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(C)C)C(C)C ZINC001267274412 837722120 /nfs/dbraw/zinc/72/21/20/837722120.db2.gz VELMFMZLWGJZOL-KRWDZBQOSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001271891145 844184796 /nfs/dbraw/zinc/18/47/96/844184796.db2.gz GRSXYAPZNWAHGO-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1csc(C)c1 ZINC001267386956 837967493 /nfs/dbraw/zinc/96/74/93/837967493.db2.gz YVNXKMJATMWNBZ-INIZCTEOSA-N 2 1 319.474 1.702 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1csc(C)c1 ZINC001267386956 837967494 /nfs/dbraw/zinc/96/74/94/837967494.db2.gz YVNXKMJATMWNBZ-INIZCTEOSA-N 2 1 319.474 1.702 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267465463 838112559 /nfs/dbraw/zinc/11/25/59/838112559.db2.gz GKKGDBRWBTUOJK-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267465463 838112566 /nfs/dbraw/zinc/11/25/66/838112566.db2.gz GKKGDBRWBTUOJK-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267465463 838112572 /nfs/dbraw/zinc/11/25/72/838112572.db2.gz GKKGDBRWBTUOJK-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267542034 838273996 /nfs/dbraw/zinc/27/39/96/838273996.db2.gz NITDSSYEFNIJRV-HZPDHXFCSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267542034 838274001 /nfs/dbraw/zinc/27/40/01/838274001.db2.gz NITDSSYEFNIJRV-HZPDHXFCSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267547559 838283682 /nfs/dbraw/zinc/28/36/82/838283682.db2.gz OXFRJETUNYJBER-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267547559 838283690 /nfs/dbraw/zinc/28/36/90/838283690.db2.gz OXFRJETUNYJBER-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267547559 838283695 /nfs/dbraw/zinc/28/36/95/838283695.db2.gz OXFRJETUNYJBER-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267560586 838308083 /nfs/dbraw/zinc/30/80/83/838308083.db2.gz LCZSWDAGDZNLAM-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001267560586 838308089 /nfs/dbraw/zinc/30/80/89/838308089.db2.gz LCZSWDAGDZNLAM-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001267560586 838308097 /nfs/dbraw/zinc/30/80/97/838308097.db2.gz LCZSWDAGDZNLAM-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267764019 838902771 /nfs/dbraw/zinc/90/27/71/838902771.db2.gz QSVVUPKDGDKBNM-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267764019 838902778 /nfs/dbraw/zinc/90/27/78/838902778.db2.gz QSVVUPKDGDKBNM-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267773601 838944216 /nfs/dbraw/zinc/94/42/16/838944216.db2.gz AALMSFNZRDYRBC-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267773601 838944221 /nfs/dbraw/zinc/94/42/21/838944221.db2.gz AALMSFNZRDYRBC-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267944685 839237210 /nfs/dbraw/zinc/23/72/10/839237210.db2.gz HVTJYRMGSGWVIJ-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001267971119 839296143 /nfs/dbraw/zinc/29/61/43/839296143.db2.gz ZNPKQIMHGFNUED-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC=C)CCCC1 ZINC001268035342 839506120 /nfs/dbraw/zinc/50/61/20/839506120.db2.gz YVLTVDRRCUEEIK-INIZCTEOSA-N 2 1 303.450 1.679 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC=C)CCCC1 ZINC001268035342 839506129 /nfs/dbraw/zinc/50/61/29/839506129.db2.gz YVLTVDRRCUEEIK-INIZCTEOSA-N 2 1 303.450 1.679 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001268735017 840736019 /nfs/dbraw/zinc/73/60/19/840736019.db2.gz CONFEAGDBKICNN-HUUCEWRRSA-N 2 1 304.438 1.848 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269295362 841481762 /nfs/dbraw/zinc/48/17/62/841481762.db2.gz CYVOQEBVCBHXGS-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269295362 841481766 /nfs/dbraw/zinc/48/17/66/841481766.db2.gz CYVOQEBVCBHXGS-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[NH+]1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001269861886 842112845 /nfs/dbraw/zinc/11/28/45/842112845.db2.gz NUPNRHDQOQKXDH-UHFFFAOYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001270082428 842279031 /nfs/dbraw/zinc/27/90/31/842279031.db2.gz ARFIHUHLKZEIGX-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001270275518 842447207 /nfs/dbraw/zinc/44/72/07/842447207.db2.gz JFTZEXROSYMVFW-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001270295705 842463862 /nfs/dbraw/zinc/46/38/62/842463862.db2.gz FRRKICRTFAFTLK-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271007261 843127756 /nfs/dbraw/zinc/12/77/56/843127756.db2.gz LMWLHMKCXGFLDU-FUHWJXTLSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001271628121 843737831 /nfs/dbraw/zinc/73/78/31/843737831.db2.gz CTCJSJQSEIUENG-KBPBESRZSA-N 2 1 318.421 1.057 20 30 DDEDMP C=CCCCN1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001326655685 861513841 /nfs/dbraw/zinc/51/38/41/861513841.db2.gz PEBOVJIZIOWCAO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001326666444 861524586 /nfs/dbraw/zinc/52/45/86/861524586.db2.gz DNPQSOHUKMBGBE-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001326666444 861524598 /nfs/dbraw/zinc/52/45/98/861524598.db2.gz DNPQSOHUKMBGBE-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001326666444 861524605 /nfs/dbraw/zinc/52/46/05/861524605.db2.gz DNPQSOHUKMBGBE-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001326666444 861524617 /nfs/dbraw/zinc/52/46/17/861524617.db2.gz DNPQSOHUKMBGBE-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](CC)OC)CCC1 ZINC001326834779 861643985 /nfs/dbraw/zinc/64/39/85/861643985.db2.gz NHRXJYHEGQKECV-HOTGVXAUSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](CC)OC)CCC1 ZINC001326834779 861643988 /nfs/dbraw/zinc/64/39/88/861643988.db2.gz NHRXJYHEGQKECV-HOTGVXAUSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001273101036 847907831 /nfs/dbraw/zinc/90/78/31/847907831.db2.gz LVUFAMNJRAOLJY-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249956 848157353 /nfs/dbraw/zinc/15/73/53/848157353.db2.gz NNDVYWYDLALEJT-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034249956 848157358 /nfs/dbraw/zinc/15/73/58/848157358.db2.gz NNDVYWYDLALEJT-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432388 848517430 /nfs/dbraw/zinc/51/74/30/848517430.db2.gz VRTVPINLVUTRTE-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034433845 848520900 /nfs/dbraw/zinc/52/09/00/848520900.db2.gz HDKJQPLGCVNYBB-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034433845 848520910 /nfs/dbraw/zinc/52/09/10/848520910.db2.gz HDKJQPLGCVNYBB-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433845 848520917 /nfs/dbraw/zinc/52/09/17/848520917.db2.gz HDKJQPLGCVNYBB-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433845 848520923 /nfs/dbraw/zinc/52/09/23/848520923.db2.gz HDKJQPLGCVNYBB-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149842152 861937476 /nfs/dbraw/zinc/93/74/76/861937476.db2.gz QFDPYBKWVDNEGU-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149891596 861963241 /nfs/dbraw/zinc/96/32/41/861963241.db2.gz YOCDNWNWIWAGTC-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299788 862175674 /nfs/dbraw/zinc/17/56/74/862175674.db2.gz SWZYOAUGHCYKQP-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273495392 851027443 /nfs/dbraw/zinc/02/74/43/851027443.db2.gz VSVCPNHQDCMKTP-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001273795811 851354043 /nfs/dbraw/zinc/35/40/43/851354043.db2.gz PHQPVLMSSZPRHB-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC001274919896 852691955 /nfs/dbraw/zinc/69/19/55/852691955.db2.gz CPIYQEQZIFGFJG-KDURUIRLSA-N 2 1 312.461 1.811 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001275036075 852764650 /nfs/dbraw/zinc/76/46/50/852764650.db2.gz MBWAZJLRTJYCBC-HOCLYGCPSA-N 2 1 302.422 1.582 20 30 DDEDMP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275099193 852809244 /nfs/dbraw/zinc/80/92/44/852809244.db2.gz ROLCWYQETUMPPL-WMLDXEAASA-N 2 1 317.408 1.366 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001275167233 852855416 /nfs/dbraw/zinc/85/54/16/852855416.db2.gz OJSDMDNDPPDTKS-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001275167233 852855422 /nfs/dbraw/zinc/85/54/22/852855422.db2.gz OJSDMDNDPPDTKS-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001275167233 852855431 /nfs/dbraw/zinc/85/54/31/852855431.db2.gz OJSDMDNDPPDTKS-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001275167233 852855439 /nfs/dbraw/zinc/85/54/39/852855439.db2.gz OJSDMDNDPPDTKS-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cn1 ZINC001275381224 853041239 /nfs/dbraw/zinc/04/12/39/853041239.db2.gz NCDZOTYEJRCFLD-IRXDYDNUSA-N 2 1 303.454 1.279 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275492301 853217773 /nfs/dbraw/zinc/21/77/73/853217773.db2.gz MKKMJFUUPTUILQ-GJZGRUSLSA-N 2 1 311.470 1.097 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813537 857742991 /nfs/dbraw/zinc/74/29/91/857742991.db2.gz VNORCDUOWJYQBJ-HNNXBMFYSA-N 2 1 312.417 1.318 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813537 857742994 /nfs/dbraw/zinc/74/29/94/857742994.db2.gz VNORCDUOWJYQBJ-HNNXBMFYSA-N 2 1 312.417 1.318 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907248 857871973 /nfs/dbraw/zinc/87/19/73/857871973.db2.gz AAAZOEGZISVKFG-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907248 857871983 /nfs/dbraw/zinc/87/19/83/857871983.db2.gz AAAZOEGZISVKFG-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907248 857871989 /nfs/dbraw/zinc/87/19/89/857871989.db2.gz AAAZOEGZISVKFG-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035547 858027657 /nfs/dbraw/zinc/02/76/57/858027657.db2.gz JZXYIBPFQKPNKP-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599551 858473187 /nfs/dbraw/zinc/47/31/87/858473187.db2.gz HMAUZIRBDNFZJD-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599551 858473191 /nfs/dbraw/zinc/47/31/91/858473191.db2.gz HMAUZIRBDNFZJD-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599551 858473193 /nfs/dbraw/zinc/47/31/93/858473193.db2.gz HMAUZIRBDNFZJD-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599586 858473730 /nfs/dbraw/zinc/47/37/30/858473730.db2.gz INMDEXFFIBCVBI-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599586 858473733 /nfs/dbraw/zinc/47/37/33/858473733.db2.gz INMDEXFFIBCVBI-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599586 858473739 /nfs/dbraw/zinc/47/37/39/858473739.db2.gz INMDEXFFIBCVBI-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872407 860214740 /nfs/dbraw/zinc/21/47/40/860214740.db2.gz DZQBRINYUCNPAX-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001153802537 864117762 /nfs/dbraw/zinc/11/77/62/864117762.db2.gz JTTMEHGSWUURFK-WBVHZDCISA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001153802537 864117766 /nfs/dbraw/zinc/11/77/66/864117766.db2.gz JTTMEHGSWUURFK-WBVHZDCISA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001153802537 864117770 /nfs/dbraw/zinc/11/77/70/864117770.db2.gz JTTMEHGSWUURFK-WBVHZDCISA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001330340583 864253831 /nfs/dbraw/zinc/25/38/31/864253831.db2.gz TZNMMHFQHUSCPR-TVFCKZIOSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@H]1C ZINC001158472884 864676009 /nfs/dbraw/zinc/67/60/09/864676009.db2.gz FOLYEPNQHTYIAL-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]1C ZINC001158472884 864676015 /nfs/dbraw/zinc/67/60/15/864676015.db2.gz FOLYEPNQHTYIAL-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H]1C ZINC001158472884 864676023 /nfs/dbraw/zinc/67/60/23/864676023.db2.gz FOLYEPNQHTYIAL-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158505597 864694740 /nfs/dbraw/zinc/69/47/40/864694740.db2.gz CPOBCVZNYMABSM-IRXDYDNUSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC001330934590 864715217 /nfs/dbraw/zinc/71/52/17/864715217.db2.gz KRZGERDYNKPHRW-HZPDHXFCSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC001330934590 864715228 /nfs/dbraw/zinc/71/52/28/864715228.db2.gz KRZGERDYNKPHRW-HZPDHXFCSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC001330934590 864715239 /nfs/dbraw/zinc/71/52/39/864715239.db2.gz KRZGERDYNKPHRW-HZPDHXFCSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC001330934590 864715245 /nfs/dbraw/zinc/71/52/45/864715245.db2.gz KRZGERDYNKPHRW-HZPDHXFCSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001158793994 864908469 /nfs/dbraw/zinc/90/84/69/864908469.db2.gz BPTDGUUAOVGBII-OAHLLOKOSA-N 2 1 302.422 1.597 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001319749374 866268624 /nfs/dbraw/zinc/26/86/24/866268624.db2.gz FAYLNGPKLBSHTM-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001319775268 866284964 /nfs/dbraw/zinc/28/49/64/866284964.db2.gz SVKFJWVEHSQBKT-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001161134053 866396954 /nfs/dbraw/zinc/39/69/54/866396954.db2.gz ZRIJBGDLHTZCRA-QGZVFWFLSA-N 2 1 305.466 1.734 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001320113174 866484758 /nfs/dbraw/zinc/48/47/58/866484758.db2.gz XAUPHBWMPZFQCP-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001320113171 866485995 /nfs/dbraw/zinc/48/59/95/866485995.db2.gz XAUPHBWMPZFQCP-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCCC1 ZINC001323709247 866786989 /nfs/dbraw/zinc/78/69/89/866786989.db2.gz XYUCQDHDSZXPGD-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCCC1 ZINC001323709247 866786996 /nfs/dbraw/zinc/78/69/96/866786996.db2.gz XYUCQDHDSZXPGD-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001323709247 866787013 /nfs/dbraw/zinc/78/70/13/866787013.db2.gz XYUCQDHDSZXPGD-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+](CCNC(=O)[C@H]1C[NH+](C)CCO1)C1CCCCCC1 ZINC001323709247 866787026 /nfs/dbraw/zinc/78/70/26/866787026.db2.gz XYUCQDHDSZXPGD-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161874750 867059728 /nfs/dbraw/zinc/05/97/28/867059728.db2.gz KPLKTQXJRLEFEI-UHFFFAOYSA-N 2 1 311.857 1.973 20 30 DDEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001161874750 867059711 /nfs/dbraw/zinc/05/97/11/867059711.db2.gz KPLKTQXJRLEFEI-UHFFFAOYSA-N 2 1 311.857 1.973 20 30 DDEDMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001317008024 870112837 /nfs/dbraw/zinc/11/28/37/870112837.db2.gz UCNMZTIYVLKZMJ-JKSUJKDBSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317039914 870150516 /nfs/dbraw/zinc/15/05/16/870150516.db2.gz NHBRGBHWHKQQKM-QGZVFWFLSA-N 2 1 307.482 1.912 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317421028 870796831 /nfs/dbraw/zinc/79/68/31/870796831.db2.gz BCBUGNNBUFGAEX-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317421028 870796848 /nfs/dbraw/zinc/79/68/48/870796848.db2.gz BCBUGNNBUFGAEX-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317421028 870796864 /nfs/dbraw/zinc/79/68/64/870796864.db2.gz BCBUGNNBUFGAEX-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC#CCOC)C1)[NH+](CC)CC ZINC001276432340 870858542 /nfs/dbraw/zinc/85/85/42/870858542.db2.gz LVJPHRGSAYMIOJ-NVXWUHKLSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC001340200622 870955134 /nfs/dbraw/zinc/95/51/34/870955134.db2.gz LALCIISONKHLHD-UHFFFAOYSA-N 2 1 315.417 1.052 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCF)C1 ZINC001317839919 871575176 /nfs/dbraw/zinc/57/51/76/871575176.db2.gz MWTZVNKKQJYMKG-HOTGVXAUSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCF)C1 ZINC001317839919 871575180 /nfs/dbraw/zinc/57/51/80/871575180.db2.gz MWTZVNKKQJYMKG-HOTGVXAUSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCF)C1 ZINC001317839919 871575203 /nfs/dbraw/zinc/57/52/03/871575203.db2.gz MWTZVNKKQJYMKG-HOTGVXAUSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCF)C1 ZINC001317839919 871575210 /nfs/dbraw/zinc/57/52/10/871575210.db2.gz MWTZVNKKQJYMKG-HOTGVXAUSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CCC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001316869314 871784949 /nfs/dbraw/zinc/78/49/49/871784949.db2.gz GNWNHYZSFSUXDX-KRWDZBQOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCOCc1ncn2c1C[N@@H+](CC1CC[NH2+]CC1)CCC2 ZINC001207435303 873267247 /nfs/dbraw/zinc/26/72/47/873267247.db2.gz CYOHWNXHJUEXDI-UHFFFAOYSA-N 2 1 304.438 1.791 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208331895 874019257 /nfs/dbraw/zinc/01/92/57/874019257.db2.gz YEZPXQYYFNYUSX-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001208591118 874292917 /nfs/dbraw/zinc/29/29/17/874292917.db2.gz QDLPBDXLFVCYBH-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001208591118 874292928 /nfs/dbraw/zinc/29/29/28/874292928.db2.gz QDLPBDXLFVCYBH-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001208591118 874292942 /nfs/dbraw/zinc/29/29/42/874292942.db2.gz QDLPBDXLFVCYBH-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001378199815 874410308 /nfs/dbraw/zinc/41/03/08/874410308.db2.gz PLIDXOBVCMQSPD-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001378199815 874410315 /nfs/dbraw/zinc/41/03/15/874410315.db2.gz PLIDXOBVCMQSPD-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001378199815 874410318 /nfs/dbraw/zinc/41/03/18/874410318.db2.gz PLIDXOBVCMQSPD-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001378199815 874410323 /nfs/dbraw/zinc/41/03/23/874410323.db2.gz PLIDXOBVCMQSPD-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242021 874753366 /nfs/dbraw/zinc/75/33/66/874753366.db2.gz IJMMTXAMIUORJU-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242021 874753376 /nfs/dbraw/zinc/75/33/76/874753376.db2.gz IJMMTXAMIUORJU-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001210788311 875534865 /nfs/dbraw/zinc/53/48/65/875534865.db2.gz AUTGCPDORSKTBD-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269936 875735336 /nfs/dbraw/zinc/73/53/36/875735336.db2.gz VXKVTUADFMJSIU-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001276727559 876786306 /nfs/dbraw/zinc/78/63/06/876786306.db2.gz PUYWHZXMQMFDEX-VQHPVUNQSA-N 2 1 305.466 1.588 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276727559 876786315 /nfs/dbraw/zinc/78/63/15/876786315.db2.gz PUYWHZXMQMFDEX-VQHPVUNQSA-N 2 1 305.466 1.588 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276727559 876786325 /nfs/dbraw/zinc/78/63/25/876786325.db2.gz PUYWHZXMQMFDEX-VQHPVUNQSA-N 2 1 305.466 1.588 20 30 DDEDMP C#CC[N@@H+](CCC[C@H](C)O)C1CC[NH+](CCC[C@H](C)O)CC1 ZINC001352935564 877022912 /nfs/dbraw/zinc/02/29/12/877022912.db2.gz QPSJAYXAJQWWPI-IRXDYDNUSA-N 2 1 310.482 1.708 20 30 DDEDMP C#CC[N@H+](CCC[C@H](C)O)C1CC[NH+](CCC[C@H](C)O)CC1 ZINC001352935564 877022921 /nfs/dbraw/zinc/02/29/21/877022921.db2.gz QPSJAYXAJQWWPI-IRXDYDNUSA-N 2 1 310.482 1.708 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(OCC#N)cc1)C2 ZINC001276774912 877411245 /nfs/dbraw/zinc/41/12/45/877411245.db2.gz BCPVXPDPMPITQU-UHFFFAOYSA-N 2 1 314.433 1.268 20 30 DDEDMP C#CC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001353560020 877416461 /nfs/dbraw/zinc/41/64/61/877416461.db2.gz ICVDAESGEWRGGF-OAHLLOKOSA-N 2 1 305.397 1.051 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072186 878690826 /nfs/dbraw/zinc/69/08/26/878690826.db2.gz JNPHMNHSJWXPHK-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001276831283 880586495 /nfs/dbraw/zinc/58/64/95/880586495.db2.gz VJOBANJWJALIAD-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001276831283 880586501 /nfs/dbraw/zinc/58/65/01/880586501.db2.gz VJOBANJWJALIAD-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)C[C@H]2C1 ZINC001276831283 880586507 /nfs/dbraw/zinc/58/65/07/880586507.db2.gz VJOBANJWJALIAD-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]21 ZINC001223512249 880987104 /nfs/dbraw/zinc/98/71/04/880987104.db2.gz CVLDBESYLWEVJM-IKGGRYGDSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001230137993 884346036 /nfs/dbraw/zinc/34/60/36/884346036.db2.gz AZXDCXYSRYKGJD-ARFHVFGLSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591970 884629498 /nfs/dbraw/zinc/62/94/98/884629498.db2.gz OIGHVKMXXPDQNF-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001233082429 886776588 /nfs/dbraw/zinc/77/65/88/886776588.db2.gz LSBDYWLKBKOBTG-UHFFFAOYSA-N 2 1 314.433 1.463 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001277762385 886789080 /nfs/dbraw/zinc/78/90/80/886789080.db2.gz BLLDVWBBNBQOGT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235516468 888704011 /nfs/dbraw/zinc/70/40/11/888704011.db2.gz WTOQGUXAWYVRNQ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235516468 888704015 /nfs/dbraw/zinc/70/40/15/888704015.db2.gz WTOQGUXAWYVRNQ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235516468 888704022 /nfs/dbraw/zinc/70/40/22/888704022.db2.gz WTOQGUXAWYVRNQ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278572381 894298427 /nfs/dbraw/zinc/29/84/27/894298427.db2.gz QIHYSOFZPMOKHK-UONOGXRCSA-N 2 1 318.421 1.248 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001278690109 895594135 /nfs/dbraw/zinc/59/41/35/895594135.db2.gz NXMSXOREWBIUFZ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001278703390 895725529 /nfs/dbraw/zinc/72/55/29/895725529.db2.gz HJYMEBSRPHWHJL-QWHCGFSZSA-N 2 1 319.371 1.186 20 30 DDEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001278768302 896301988 /nfs/dbraw/zinc/30/19/88/896301988.db2.gz TXJFCUYIQVJKSB-DLBZAZTESA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001279097410 898184010 /nfs/dbraw/zinc/18/40/10/898184010.db2.gz PNUPQEFKKHAPCN-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264123014 900959239 /nfs/dbraw/zinc/95/92/39/900959239.db2.gz XTLKDPRQRBCZAS-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001264474705 901141405 /nfs/dbraw/zinc/14/14/05/901141405.db2.gz GWLLWQUGIWZRTB-LUKYLMHMSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CC2CC2)CC1 ZINC001266111944 902963808 /nfs/dbraw/zinc/96/38/08/902963808.db2.gz DLUHVDPJLVITQU-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001279328720 903223920 /nfs/dbraw/zinc/22/39/20/903223920.db2.gz KPMUFUWHFIIMBU-JCYILVPMSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001280726958 903959445 /nfs/dbraw/zinc/95/94/45/903959445.db2.gz KGWNKLUYTLYNHG-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001280726958 903959457 /nfs/dbraw/zinc/95/94/57/903959457.db2.gz KGWNKLUYTLYNHG-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001280726958 903959472 /nfs/dbraw/zinc/95/94/72/903959472.db2.gz KGWNKLUYTLYNHG-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001280726958 903959490 /nfs/dbraw/zinc/95/94/90/903959490.db2.gz KGWNKLUYTLYNHG-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001281405656 904803056 /nfs/dbraw/zinc/80/30/56/904803056.db2.gz APTYXXBPIULRJH-BBRMVZONSA-N 2 1 320.437 1.753 20 30 DDEDMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281484628 904925146 /nfs/dbraw/zinc/92/51/46/904925146.db2.gz GSHODUBFAQQLCQ-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001371472213 905050272 /nfs/dbraw/zinc/05/02/72/905050272.db2.gz GSPXFLOYYUHRQW-CYBMUJFWSA-N 2 1 320.412 1.632 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001282780659 906031532 /nfs/dbraw/zinc/03/15/32/906031532.db2.gz CXYNKYPIPPYCRU-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001282780659 906031547 /nfs/dbraw/zinc/03/15/47/906031547.db2.gz CXYNKYPIPPYCRU-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001282780659 906031566 /nfs/dbraw/zinc/03/15/66/906031566.db2.gz CXYNKYPIPPYCRU-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC001372186977 906674569 /nfs/dbraw/zinc/67/45/69/906674569.db2.gz GLGKUVLKSNOQMI-INIZCTEOSA-N 2 1 320.412 1.586 20 30 DDEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001283230840 906948721 /nfs/dbraw/zinc/94/87/21/906948721.db2.gz WFYZSVJPVDHWQH-GOEBONIOSA-N 2 1 316.449 1.652 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001284719420 909391195 /nfs/dbraw/zinc/39/11/95/909391195.db2.gz NRTALLPTWBVJDA-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001373289111 909423629 /nfs/dbraw/zinc/42/36/29/909423629.db2.gz CHGHURHTOHCLPP-UKRRQHHQSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001373289111 909423636 /nfs/dbraw/zinc/42/36/36/909423636.db2.gz CHGHURHTOHCLPP-UKRRQHHQSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001373289111 909423641 /nfs/dbraw/zinc/42/36/41/909423641.db2.gz CHGHURHTOHCLPP-UKRRQHHQSA-N 2 1 313.873 1.861 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079917722 353582855 /nfs/dbraw/zinc/58/28/55/353582855.db2.gz OCRDNBJIMWZTEN-WBVHZDCISA-N 2 1 318.465 1.633 20 30 DDEDMP N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593730245 355978081 /nfs/dbraw/zinc/97/80/81/355978081.db2.gz MOOFYUGZHVSXBK-BRWVUGGUSA-N 2 1 300.406 1.814 20 30 DDEDMP N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000593730245 355978085 /nfs/dbraw/zinc/97/80/85/355978085.db2.gz MOOFYUGZHVSXBK-BRWVUGGUSA-N 2 1 300.406 1.814 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594445717 356219120 /nfs/dbraw/zinc/21/91/20/356219120.db2.gz KOCGTZGJPKYEIP-IAGOWNOFSA-N 2 1 314.433 1.788 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000595944650 356716382 /nfs/dbraw/zinc/71/63/82/356716382.db2.gz IDBRSRIYFCBTHU-GDBMZVCRSA-N 2 1 306.454 1.921 20 30 DDEDMP C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000599300477 357882970 /nfs/dbraw/zinc/88/29/70/357882970.db2.gz ZUVKNFCXADBAHG-NVXWUHKLSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@@H](O)COc1ccccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000599300477 357882974 /nfs/dbraw/zinc/88/29/74/357882974.db2.gz ZUVKNFCXADBAHG-NVXWUHKLSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@@H](O)COc1ccccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000599300477 357882977 /nfs/dbraw/zinc/88/29/77/357882977.db2.gz ZUVKNFCXADBAHG-NVXWUHKLSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@H](O)CN1CCC(Nc2ccccc2C#N)CC1 ZINC000602898619 359280290 /nfs/dbraw/zinc/28/02/90/359280290.db2.gz HIBYRKMMDYUHPK-KRWDZBQOSA-N 2 1 316.449 1.747 20 30 DDEDMP C[C@H](c1cccc(C#N)c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603234106 359503382 /nfs/dbraw/zinc/50/33/82/359503382.db2.gz KWILNGRGJRHDAM-CQSZACIVSA-N 2 1 324.432 1.725 20 30 DDEDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271909403 209315946 /nfs/dbraw/zinc/31/59/46/209315946.db2.gz ADLPUJMMHNWTLJ-CYBMUJFWSA-N 2 1 318.396 1.512 20 30 DDEDMP C#CCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001120531981 782007941 /nfs/dbraw/zinc/00/79/41/782007941.db2.gz GWRCSNWZJTTXTK-IYBDPMFKSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CCOc1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000113328737 407494112 /nfs/dbraw/zinc/49/41/12/407494112.db2.gz VSCVYBAQUZRPIB-UHFFFAOYSA-N 2 1 302.418 1.899 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000154160400 407984936 /nfs/dbraw/zinc/98/49/36/407984936.db2.gz QIASGKXMNXOQCX-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873861 408130170 /nfs/dbraw/zinc/13/01/70/408130170.db2.gz QMFXEBHCTBUYFJ-UXLLHSPISA-N 2 1 318.465 1.836 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000182737401 408237202 /nfs/dbraw/zinc/23/72/02/408237202.db2.gz IBGVANJSTLPLJK-NVXWUHKLSA-N 2 1 320.481 1.763 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cccc(C)c1 ZINC000268988606 408223551 /nfs/dbraw/zinc/22/35/51/408223551.db2.gz UDLJYHGIRHDBGD-CVEARBPZSA-N 2 1 304.438 1.417 20 30 DDEDMP C=CCNC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510121 408642373 /nfs/dbraw/zinc/64/23/73/408642373.db2.gz SSYQPTNLDNLDNB-IYBDPMFKSA-N 2 1 323.481 1.500 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(F)cc1 ZINC000278263152 409078096 /nfs/dbraw/zinc/07/80/96/409078096.db2.gz NSSWMDGEOUYQRM-CABCVRRESA-N 2 1 308.401 1.248 20 30 DDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288772816 409176624 /nfs/dbraw/zinc/17/66/24/409176624.db2.gz VCNZDHOVKSMLLP-UHFFFAOYSA-N 2 1 300.353 1.660 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccnc1OC ZINC000290669340 409482704 /nfs/dbraw/zinc/48/27/04/409482704.db2.gz OUFLQGKJVDUMSA-AWEZNQCLSA-N 2 1 305.426 1.021 20 30 DDEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCOC)c1cccc(OC)c1 ZINC000264151087 222326073 /nfs/dbraw/zinc/32/60/73/222326073.db2.gz ZHHHDUMFIJCHJF-INIZCTEOSA-N 2 1 322.453 1.629 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1c2ccccc2O[C@@H]1C ZINC000262274735 222274663 /nfs/dbraw/zinc/27/46/63/222274663.db2.gz JDSFIBTVYVHVAT-XJKCOSOUSA-N 2 1 302.422 1.897 20 30 DDEDMP COc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+]2CCCC2)cc1 ZINC000262628773 222287159 /nfs/dbraw/zinc/28/71/59/222287159.db2.gz FDJYOMBVFIQZLA-CZUORRHYSA-N 2 1 302.422 1.769 20 30 DDEDMP CN1CCC[NH+]=C1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000263173377 222304834 /nfs/dbraw/zinc/30/48/34/222304834.db2.gz SJICEWURYWEZPE-INIZCTEOSA-N 2 1 302.422 1.034 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC3CC3)c2)CCO1 ZINC000264071838 222313137 /nfs/dbraw/zinc/31/31/37/222313137.db2.gz DLWRECZOYRIFBH-CYBMUJFWSA-N 2 1 302.422 1.474 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CC3)c2)CCO1 ZINC000264071838 222313141 /nfs/dbraw/zinc/31/31/41/222313141.db2.gz DLWRECZOYRIFBH-CYBMUJFWSA-N 2 1 302.422 1.474 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CO)c(F)c1 ZINC000264099854 222316767 /nfs/dbraw/zinc/31/67/67/222316767.db2.gz NTBCYOBOZPQWBW-CQSZACIVSA-N 2 1 308.401 1.207 20 30 DDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)C1 ZINC000264098482 222317187 /nfs/dbraw/zinc/31/71/87/222317187.db2.gz NCSSAEBLYIWMCV-LBPRGKRZSA-N 2 1 306.410 1.772 20 30 DDEDMP C=CCC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000368570549 418722111 /nfs/dbraw/zinc/72/21/11/418722111.db2.gz WCVSZTUFLLFKQT-ZWKOTPCHSA-N 2 1 307.482 1.727 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000370022465 418740110 /nfs/dbraw/zinc/74/01/10/418740110.db2.gz WRNPDCVYQSCFPZ-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000422986662 227297909 /nfs/dbraw/zinc/29/79/09/227297909.db2.gz DCMXCDUCXMAFCN-KZNAEPCWSA-N 2 1 315.417 1.684 20 30 DDEDMP Cn1c[nH+]cc1CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC001120577281 782033784 /nfs/dbraw/zinc/03/37/84/782033784.db2.gz UZIRDTZFIHCQSX-MRXNPFEDSA-N 2 1 314.389 1.058 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000491745214 421202966 /nfs/dbraw/zinc/20/29/66/421202966.db2.gz OOMRBNFZUPXREE-UHFFFAOYSA-N 2 1 306.454 1.115 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)CC#N)CC2)CC1 ZINC000553164159 421604724 /nfs/dbraw/zinc/60/47/24/421604724.db2.gz GXXXTBHZAVJAOT-OAHLLOKOSA-N 2 1 320.481 1.943 20 30 DDEDMP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000568501415 421620107 /nfs/dbraw/zinc/62/01/07/421620107.db2.gz MLRNSCZVFAKAKC-OAHLLOKOSA-N 2 1 303.454 1.578 20 30 DDEDMP C=CC[C@]1(C(=O)NCC2CCN(CC[NH+](C)C)CC2)CCC[NH2+]1 ZINC000662696324 424738230 /nfs/dbraw/zinc/73/82/30/424738230.db2.gz WZJXNEMEXSFNNX-GOSISDBHSA-N 2 1 322.497 1.075 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528379403 267282748 /nfs/dbraw/zinc/28/27/48/267282748.db2.gz GTKNPTCQUNVEBY-ZBFHGGJFSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528379403 267282752 /nfs/dbraw/zinc/28/27/52/267282752.db2.gz GTKNPTCQUNVEBY-ZBFHGGJFSA-N 2 1 303.406 1.181 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000378430117 268065953 /nfs/dbraw/zinc/06/59/53/268065953.db2.gz MUZHIIQJAOHGEN-UHFFFAOYSA-N 2 1 315.417 1.217 20 30 DDEDMP CC[NH+]=C(NCc1ccn(C)c1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158565318 278168757 /nfs/dbraw/zinc/16/87/57/278168757.db2.gz MXSGOSLOMHMLAC-HOCLYGCPSA-N 2 1 305.470 1.809 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000564565292 332651148 /nfs/dbraw/zinc/65/11/48/332651148.db2.gz VLYRAFISALZCGE-MRXNPFEDSA-N 2 1 308.397 1.805 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000491706921 526809665 /nfs/dbraw/zinc/80/96/65/526809665.db2.gz FJQPSHLXUMULFT-MRXNPFEDSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000491537084 526813087 /nfs/dbraw/zinc/81/30/87/526813087.db2.gz ODIVWVQVGHMXAQ-MQVJKMGUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000491537084 526813092 /nfs/dbraw/zinc/81/30/92/526813092.db2.gz ODIVWVQVGHMXAQ-MQVJKMGUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000491537084 526813098 /nfs/dbraw/zinc/81/30/98/526813098.db2.gz ODIVWVQVGHMXAQ-MQVJKMGUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000491496477 526943367 /nfs/dbraw/zinc/94/33/67/526943367.db2.gz QPDBIZXIPDEDCW-WMLDXEAASA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000491496477 526943368 /nfs/dbraw/zinc/94/33/68/526943368.db2.gz QPDBIZXIPDEDCW-WMLDXEAASA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491496477 526943369 /nfs/dbraw/zinc/94/33/69/526943369.db2.gz QPDBIZXIPDEDCW-WMLDXEAASA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491496477 526943370 /nfs/dbraw/zinc/94/33/70/526943370.db2.gz QPDBIZXIPDEDCW-WMLDXEAASA-N 2 1 310.413 1.840 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409525 695242637 /nfs/dbraw/zinc/24/26/37/695242637.db2.gz POQWNYHQJNLIBV-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974648612 695703538 /nfs/dbraw/zinc/70/35/38/695703538.db2.gz DNJFZJFSEHGONY-HZPDHXFCSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974648612 695703540 /nfs/dbraw/zinc/70/35/40/695703540.db2.gz DNJFZJFSEHGONY-HZPDHXFCSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974648612 695703542 /nfs/dbraw/zinc/70/35/42/695703542.db2.gz DNJFZJFSEHGONY-HZPDHXFCSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974901093 695756613 /nfs/dbraw/zinc/75/66/13/695756613.db2.gz PDIANEIKSVPOBY-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977427696 696157847 /nfs/dbraw/zinc/15/78/47/696157847.db2.gz NTEBQVCFGXQFSZ-INIZCTEOSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978847796 696468289 /nfs/dbraw/zinc/46/82/89/696468289.db2.gz PZHJSGWOUPLZHM-NNZMDNLPSA-N 2 1 311.429 1.289 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138467 696690320 /nfs/dbraw/zinc/69/03/20/696690320.db2.gz CXXCVIGOPAFUDM-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138467 696690322 /nfs/dbraw/zinc/69/03/22/696690322.db2.gz CXXCVIGOPAFUDM-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767614 696908729 /nfs/dbraw/zinc/90/87/29/696908729.db2.gz UOQUEHHWEAAZEJ-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767614 696908731 /nfs/dbraw/zinc/90/87/31/696908731.db2.gz UOQUEHHWEAAZEJ-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767614 696908733 /nfs/dbraw/zinc/90/87/33/696908733.db2.gz UOQUEHHWEAAZEJ-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893273 696959052 /nfs/dbraw/zinc/95/90/52/696959052.db2.gz AQXCNXCNPYZUJG-UHFFFAOYSA-N 2 1 322.412 1.896 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981183922 697028301 /nfs/dbraw/zinc/02/83/01/697028301.db2.gz HPUCVSNFENMYTI-KGLIPLIRSA-N 2 1 320.437 1.943 20 30 DDEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982306155 697088583 /nfs/dbraw/zinc/08/85/83/697088583.db2.gz KOVHQFRSGZOMLS-NXHRZFHOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981421804 697092919 /nfs/dbraw/zinc/09/29/19/697092919.db2.gz MRLZSOFDIAZUSM-HOTGVXAUSA-N 2 1 323.400 1.531 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985654411 697551052 /nfs/dbraw/zinc/55/10/52/697551052.db2.gz OOHNQSHTBBIOAZ-GOSISDBHSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000985654411 697551054 /nfs/dbraw/zinc/55/10/54/697551054.db2.gz OOHNQSHTBBIOAZ-GOSISDBHSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000985654411 697551055 /nfs/dbraw/zinc/55/10/55/697551055.db2.gz OOHNQSHTBBIOAZ-GOSISDBHSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000985751475 697568008 /nfs/dbraw/zinc/56/80/08/697568008.db2.gz MKBNYZIWRHZRJN-NVXWUHKLSA-N 2 1 305.466 1.663 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303863982 698607770 /nfs/dbraw/zinc/60/77/70/698607770.db2.gz ATVOEKBYTBKQDF-OAHLLOKOSA-N 2 1 318.465 1.764 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303863982 698607771 /nfs/dbraw/zinc/60/77/71/698607771.db2.gz ATVOEKBYTBKQDF-OAHLLOKOSA-N 2 1 318.465 1.764 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000303872136 698608529 /nfs/dbraw/zinc/60/85/29/698608529.db2.gz BUBPERIVVPVADY-ARFHVFGLSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303872136 698608530 /nfs/dbraw/zinc/60/85/30/698608530.db2.gz BUBPERIVVPVADY-ARFHVFGLSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000303872136 698608532 /nfs/dbraw/zinc/60/85/32/698608532.db2.gz BUBPERIVVPVADY-ARFHVFGLSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN(C)CC(F)(F)F ZINC000303904635 698611195 /nfs/dbraw/zinc/61/11/95/698611195.db2.gz VAVAGDMAYSNPBZ-LBPRGKRZSA-N 2 1 323.407 1.259 20 30 DDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)C1 ZINC000304765245 698625073 /nfs/dbraw/zinc/62/50/73/698625073.db2.gz YZJCFQRAVKEPJJ-DZGCQCFKSA-N 2 1 302.422 1.756 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CC(C)C ZINC000304763640 698625109 /nfs/dbraw/zinc/62/51/09/698625109.db2.gz XBDZWSWBGJQCEM-CQSZACIVSA-N 2 1 306.458 1.428 20 30 DDEDMP C#CCNC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000787301221 699204326 /nfs/dbraw/zinc/20/43/26/699204326.db2.gz FUFGKRSWVCPKJF-HOTGVXAUSA-N 2 1 313.445 1.482 20 30 DDEDMP C#Cc1ccc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000809615187 701674035 /nfs/dbraw/zinc/67/40/35/701674035.db2.gz VJSCGUCVFFMCFR-UHFFFAOYSA-N 2 1 313.445 1.700 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817922514 702523071 /nfs/dbraw/zinc/52/30/71/702523071.db2.gz XNKQCXASSDYWPF-RBSFLKMASA-N 2 1 300.468 1.488 20 30 DDEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000820087527 704219199 /nfs/dbraw/zinc/21/91/99/704219199.db2.gz XAVZRGPQAREOEC-GJZGRUSLSA-N 2 1 310.486 1.606 20 30 DDEDMP C#C[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)(C)C ZINC000820087527 704219202 /nfs/dbraw/zinc/21/92/02/704219202.db2.gz XAVZRGPQAREOEC-GJZGRUSLSA-N 2 1 310.486 1.606 20 30 DDEDMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314849 704861673 /nfs/dbraw/zinc/86/16/73/704861673.db2.gz AQFMEVCDKQKYMC-FUHWJXTLSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314849 704861680 /nfs/dbraw/zinc/86/16/80/704861680.db2.gz AQFMEVCDKQKYMC-FUHWJXTLSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314849 704861687 /nfs/dbraw/zinc/86/16/87/704861687.db2.gz AQFMEVCDKQKYMC-FUHWJXTLSA-N 2 1 321.465 1.475 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995166 705065723 /nfs/dbraw/zinc/06/57/23/705065723.db2.gz MYDFHBPZTLQWFN-OAHLLOKOSA-N 2 1 301.434 1.708 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000863035724 705853252 /nfs/dbraw/zinc/85/32/52/705853252.db2.gz YHANWDHWNKRLBG-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP CC(C)[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876750685 705856868 /nfs/dbraw/zinc/85/68/68/705856868.db2.gz XYIWZCWZUXKRMP-INIZCTEOSA-N 2 1 300.406 1.201 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000884124816 708149994 /nfs/dbraw/zinc/14/99/94/708149994.db2.gz HTKQGMURNFNPNS-XHSDSOJGSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000884124816 708149995 /nfs/dbraw/zinc/14/99/95/708149995.db2.gz HTKQGMURNFNPNS-XHSDSOJGSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000884124816 708149996 /nfs/dbraw/zinc/14/99/96/708149996.db2.gz HTKQGMURNFNPNS-XHSDSOJGSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000884124816 708149997 /nfs/dbraw/zinc/14/99/97/708149997.db2.gz HTKQGMURNFNPNS-XHSDSOJGSA-N 2 1 304.438 1.010 20 30 DDEDMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884221396 708196846 /nfs/dbraw/zinc/19/68/46/708196846.db2.gz QZURHHXOABFKOB-GARNVTTQSA-N 2 1 318.465 1.506 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000890368879 709842650 /nfs/dbraw/zinc/84/26/50/709842650.db2.gz NUBFMKOMFJNLGD-YESZJQIVSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000890368879 709842656 /nfs/dbraw/zinc/84/26/56/709842656.db2.gz NUBFMKOMFJNLGD-YESZJQIVSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000890368879 709842661 /nfs/dbraw/zinc/84/26/61/709842661.db2.gz NUBFMKOMFJNLGD-YESZJQIVSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000890368879 709842667 /nfs/dbraw/zinc/84/26/67/709842667.db2.gz NUBFMKOMFJNLGD-YESZJQIVSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000917889805 713518699 /nfs/dbraw/zinc/51/86/99/713518699.db2.gz HMRAPOYAESFEEO-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+](CCC)C1)C1CC[NH+](C)CC1 ZINC000923320828 714312645 /nfs/dbraw/zinc/31/26/45/714312645.db2.gz FYHKZFGHRNTWFY-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413850 714348275 /nfs/dbraw/zinc/34/82/75/714348275.db2.gz IHVBTCIYKGSCFQ-BBWFWOEESA-N 2 1 315.417 1.372 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000923413850 714348279 /nfs/dbraw/zinc/34/82/79/714348279.db2.gz IHVBTCIYKGSCFQ-BBWFWOEESA-N 2 1 315.417 1.372 20 30 DDEDMP C=C(C)C[NH+]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000957278675 715813604 /nfs/dbraw/zinc/81/36/04/715813604.db2.gz AZESMYNMNIVXIA-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957633820 715977958 /nfs/dbraw/zinc/97/79/58/715977958.db2.gz PPURSCQVCUPGFK-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960269728 716474272 /nfs/dbraw/zinc/47/42/72/716474272.db2.gz SBRJGWVYCLSMTL-MWDXBVQZSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960269728 716474277 /nfs/dbraw/zinc/47/42/77/716474277.db2.gz SBRJGWVYCLSMTL-MWDXBVQZSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960269728 716474282 /nfs/dbraw/zinc/47/42/82/716474282.db2.gz SBRJGWVYCLSMTL-MWDXBVQZSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554380 716618802 /nfs/dbraw/zinc/61/88/02/716618802.db2.gz DMOGMKZWOYUOCU-SJORKVTESA-N 2 1 323.481 1.092 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940864301 717001535 /nfs/dbraw/zinc/00/15/35/717001535.db2.gz JTCULQVUFHGPOG-INIZCTEOSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000961568209 717007903 /nfs/dbraw/zinc/00/79/03/717007903.db2.gz PSDGYTZGBPZMKH-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961568209 717007908 /nfs/dbraw/zinc/00/79/08/717007908.db2.gz PSDGYTZGBPZMKH-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000961568209 717007913 /nfs/dbraw/zinc/00/79/13/717007913.db2.gz PSDGYTZGBPZMKH-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941231573 717135169 /nfs/dbraw/zinc/13/51/69/717135169.db2.gz UFPKLICDBGXUEO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231573 717135170 /nfs/dbraw/zinc/13/51/70/717135170.db2.gz UFPKLICDBGXUEO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231573 717135171 /nfs/dbraw/zinc/13/51/71/717135171.db2.gz UFPKLICDBGXUEO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231573 717135174 /nfs/dbraw/zinc/13/51/74/717135174.db2.gz UFPKLICDBGXUEO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962169385 717334103 /nfs/dbraw/zinc/33/41/03/717334103.db2.gz UNNMGJGOOGGWIF-ZSHCYNCHSA-N 2 1 309.373 1.113 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962169385 717334107 /nfs/dbraw/zinc/33/41/07/717334107.db2.gz UNNMGJGOOGGWIF-ZSHCYNCHSA-N 2 1 309.373 1.113 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=C)Cl)C[C@H]32)CC1 ZINC000962780394 717586757 /nfs/dbraw/zinc/58/67/57/717586757.db2.gz SGLVCGHZOZMHCP-ZSHCYNCHSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=C)Cl)C[C@H]32)CC1 ZINC000962780394 717586764 /nfs/dbraw/zinc/58/67/64/717586764.db2.gz SGLVCGHZOZMHCP-ZSHCYNCHSA-N 2 1 321.852 1.131 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942518580 717714865 /nfs/dbraw/zinc/71/48/65/717714865.db2.gz UEEPEEAREOKYKE-PBHICJAKSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963412453 717780724 /nfs/dbraw/zinc/78/07/24/717780724.db2.gz BGLDXTATVVNOEG-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903347 718702721 /nfs/dbraw/zinc/70/27/21/718702721.db2.gz FIQIWKJDFIQEEF-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904442 718704096 /nfs/dbraw/zinc/70/40/96/718704096.db2.gz OYJYFQGIKGIKOB-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895404 718938284 /nfs/dbraw/zinc/93/82/84/718938284.db2.gz XQMRJFJXIBFEJL-CALCHBBNSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895404 718938286 /nfs/dbraw/zinc/93/82/86/718938286.db2.gz XQMRJFJXIBFEJL-CALCHBBNSA-N 2 1 316.449 1.938 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378312 719544145 /nfs/dbraw/zinc/54/41/45/719544145.db2.gz PKGBBNFXULSORT-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647164 719615973 /nfs/dbraw/zinc/61/59/73/719615973.db2.gz FCJHSNQCPBMQPZ-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948742412 719682282 /nfs/dbraw/zinc/68/22/82/719682282.db2.gz IZCCFVOCXSAHCE-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000968925341 719875458 /nfs/dbraw/zinc/87/54/58/719875458.db2.gz AMBXUOUBFPEXFK-HZPDHXFCSA-N 2 1 314.433 1.440 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189376 719949734 /nfs/dbraw/zinc/94/97/34/719949734.db2.gz SJFABOCBJCBTBQ-HOTGVXAUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153788 719979941 /nfs/dbraw/zinc/97/99/41/719979941.db2.gz OWPNPRDLEXRSJD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153788 719979944 /nfs/dbraw/zinc/97/99/44/719979944.db2.gz OWPNPRDLEXRSJD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153788 719979947 /nfs/dbraw/zinc/97/99/47/719979947.db2.gz OWPNPRDLEXRSJD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153788 719979948 /nfs/dbraw/zinc/97/99/48/719979948.db2.gz OWPNPRDLEXRSJD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCF)CC1 ZINC000969156016 719980588 /nfs/dbraw/zinc/98/05/88/719980588.db2.gz HQSSQDRZDAPEOV-KRWDZBQOSA-N 2 1 323.456 1.662 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000949509307 720132025 /nfs/dbraw/zinc/13/20/25/720132025.db2.gz OQTFBYAJYQHZNT-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949509307 720132026 /nfs/dbraw/zinc/13/20/26/720132026.db2.gz OQTFBYAJYQHZNT-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949509307 720132028 /nfs/dbraw/zinc/13/20/28/720132028.db2.gz OQTFBYAJYQHZNT-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949509307 720132030 /nfs/dbraw/zinc/13/20/30/720132030.db2.gz OQTFBYAJYQHZNT-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970325590 720711009 /nfs/dbraw/zinc/71/10/09/720711009.db2.gz HUETVWKBFAXWBK-GOEBONIOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970325590 720711012 /nfs/dbraw/zinc/71/10/12/720711012.db2.gz HUETVWKBFAXWBK-GOEBONIOSA-N 2 1 309.454 1.108 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528435 720798639 /nfs/dbraw/zinc/79/86/39/720798639.db2.gz FPHRKRIXTIZSFH-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023763263 735449742 /nfs/dbraw/zinc/44/97/42/735449742.db2.gz HOUUUYFSCSNYOF-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023763263 735449745 /nfs/dbraw/zinc/44/97/45/735449745.db2.gz HOUUUYFSCSNYOF-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023763263 735449747 /nfs/dbraw/zinc/44/97/47/735449747.db2.gz HOUUUYFSCSNYOF-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)C(C)C)C2)CC1 ZINC001027694360 738557905 /nfs/dbraw/zinc/55/79/05/738557905.db2.gz WGRVVRBABIXYCB-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663270 733416215 /nfs/dbraw/zinc/41/62/15/733416215.db2.gz BKFVECDWDGKNHA-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039373160 733636737 /nfs/dbraw/zinc/63/67/37/733636737.db2.gz HGYOJWURSPIJAZ-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001039373160 733636739 /nfs/dbraw/zinc/63/67/39/733636739.db2.gz HGYOJWURSPIJAZ-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001039373160 733636740 /nfs/dbraw/zinc/63/67/40/733636740.db2.gz HGYOJWURSPIJAZ-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373160 733636741 /nfs/dbraw/zinc/63/67/41/733636741.db2.gz HGYOJWURSPIJAZ-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001039373160 733636742 /nfs/dbraw/zinc/63/67/42/733636742.db2.gz HGYOJWURSPIJAZ-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001027966242 738877309 /nfs/dbraw/zinc/87/73/09/738877309.db2.gz MLDXSFVXZOAFSX-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001027966242 738877311 /nfs/dbraw/zinc/87/73/11/738877311.db2.gz MLDXSFVXZOAFSX-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001027966242 738877315 /nfs/dbraw/zinc/87/73/15/738877315.db2.gz MLDXSFVXZOAFSX-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966242 738877320 /nfs/dbraw/zinc/87/73/20/738877320.db2.gz MLDXSFVXZOAFSX-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001027966242 738877326 /nfs/dbraw/zinc/87/73/26/738877326.db2.gz MLDXSFVXZOAFSX-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409645 735214426 /nfs/dbraw/zinc/21/44/26/735214426.db2.gz AYLCSDVLWIMYNT-QZTJIDSGSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409645 735214427 /nfs/dbraw/zinc/21/44/27/735214427.db2.gz AYLCSDVLWIMYNT-QZTJIDSGSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023409645 735214429 /nfs/dbraw/zinc/21/44/29/735214429.db2.gz AYLCSDVLWIMYNT-QZTJIDSGSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024021869 735608606 /nfs/dbraw/zinc/60/86/06/735608606.db2.gz LKEXUJSGVQODDZ-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC2CC2)C1 ZINC001024021869 735608607 /nfs/dbraw/zinc/60/86/07/735608607.db2.gz LKEXUJSGVQODDZ-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438655 735827178 /nfs/dbraw/zinc/82/71/78/735827178.db2.gz UDSHIKMPZFKTBV-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027985678 738910589 /nfs/dbraw/zinc/91/05/89/738910589.db2.gz MZTSTAJLSXYOJQ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589389 736438778 /nfs/dbraw/zinc/43/87/78/736438778.db2.gz ZIVBRIMIEVSCEM-VSZNYVQBSA-N 2 1 319.493 1.814 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001026148384 737145895 /nfs/dbraw/zinc/14/58/95/737145895.db2.gz DMAVGDSMRFONAV-LRDNVRMFSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001026148384 737145897 /nfs/dbraw/zinc/14/58/97/737145897.db2.gz DMAVGDSMRFONAV-LRDNVRMFSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148384 737145901 /nfs/dbraw/zinc/14/59/01/737145901.db2.gz DMAVGDSMRFONAV-LRDNVRMFSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148384 737145902 /nfs/dbraw/zinc/14/59/02/737145902.db2.gz DMAVGDSMRFONAV-LRDNVRMFSA-N 2 1 311.857 1.658 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001104777255 737195712 /nfs/dbraw/zinc/19/57/12/737195712.db2.gz BDSGVCRREWRZPY-ARFHVFGLSA-N 2 1 316.449 1.686 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008050753 737366088 /nfs/dbraw/zinc/36/60/88/737366088.db2.gz DHBLIFIGJCPFEW-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045909 738962654 /nfs/dbraw/zinc/96/26/54/738962654.db2.gz SVIAANVEZMKXSJ-KRWDZBQOSA-N 2 1 313.445 1.618 20 30 DDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001105064182 737496529 /nfs/dbraw/zinc/49/65/29/737496529.db2.gz AYPOPNVURHVILH-IAGOWNOFSA-N 2 1 323.481 1.051 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103341 739039243 /nfs/dbraw/zinc/03/92/43/739039243.db2.gz NYDAGAZDNSNPST-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103341 739039244 /nfs/dbraw/zinc/03/92/44/739039244.db2.gz NYDAGAZDNSNPST-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028252519 739235263 /nfs/dbraw/zinc/23/52/63/739235263.db2.gz XAJSLFIKMCSDNF-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028252519 739235270 /nfs/dbraw/zinc/23/52/70/739235270.db2.gz XAJSLFIKMCSDNF-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028252519 739235271 /nfs/dbraw/zinc/23/52/71/739235271.db2.gz XAJSLFIKMCSDNF-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028252519 739235277 /nfs/dbraw/zinc/23/52/77/739235277.db2.gz XAJSLFIKMCSDNF-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001028603936 739781806 /nfs/dbraw/zinc/78/18/06/739781806.db2.gz MMJUBQVDZUMSGT-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001028603936 739781809 /nfs/dbraw/zinc/78/18/09/739781809.db2.gz MMJUBQVDZUMSGT-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001028603936 739781811 /nfs/dbraw/zinc/78/18/11/739781811.db2.gz MMJUBQVDZUMSGT-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(CC)CC)C1 ZINC001028603936 739781812 /nfs/dbraw/zinc/78/18/12/739781812.db2.gz MMJUBQVDZUMSGT-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492570 751574601 /nfs/dbraw/zinc/57/46/01/751574601.db2.gz NPYXZMUZBKSFIU-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972332 740900077 /nfs/dbraw/zinc/90/00/77/740900077.db2.gz XNFKUDRKNBCNQN-VSZNYVQBSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972332 740900079 /nfs/dbraw/zinc/90/00/79/740900079.db2.gz XNFKUDRKNBCNQN-VSZNYVQBSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001087972332 740900080 /nfs/dbraw/zinc/90/00/80/740900080.db2.gz XNFKUDRKNBCNQN-VSZNYVQBSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042931 740964973 /nfs/dbraw/zinc/96/49/73/740964973.db2.gz PLDHSVRPTIJVNU-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042931 740964975 /nfs/dbraw/zinc/96/49/75/740964975.db2.gz PLDHSVRPTIJVNU-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001088129302 741050242 /nfs/dbraw/zinc/05/02/42/741050242.db2.gz HHFNRRVOSOGRPX-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129302 741050244 /nfs/dbraw/zinc/05/02/44/741050244.db2.gz HHFNRRVOSOGRPX-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001088129302 741050250 /nfs/dbraw/zinc/05/02/50/741050250.db2.gz HHFNRRVOSOGRPX-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211642 741108000 /nfs/dbraw/zinc/10/80/00/741108000.db2.gz TUMXOKAAGWQOGO-MSOLQXFVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC=C)CC1 ZINC001029596852 741131280 /nfs/dbraw/zinc/13/12/80/741131280.db2.gz BMHKKWBTNAWGHM-HDICACEKSA-N 2 1 315.461 1.583 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076083501 742531346 /nfs/dbraw/zinc/53/13/46/742531346.db2.gz DGVGNKDBNCRLQV-KSZLIROESA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001077280572 743377009 /nfs/dbraw/zinc/37/70/09/743377009.db2.gz DJZWORCKEUFTBZ-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001077280572 743377014 /nfs/dbraw/zinc/37/70/14/743377014.db2.gz DJZWORCKEUFTBZ-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035733127 751824860 /nfs/dbraw/zinc/82/48/60/751824860.db2.gz VKDSYXKWMBKFQD-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001182692534 743698981 /nfs/dbraw/zinc/69/89/81/743698981.db2.gz MMUPFVLIOHNIBT-LSDHHAIUSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC001183045315 743767965 /nfs/dbraw/zinc/76/79/65/743767965.db2.gz YHAKYKQMWRABTB-UHFFFAOYSA-N 2 1 314.433 1.691 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184575475 744063974 /nfs/dbraw/zinc/06/39/74/744063974.db2.gz DILLTLMVWATDGQ-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136806 744167022 /nfs/dbraw/zinc/16/70/22/744167022.db2.gz LFNFURUEKFUDMH-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136806 744167026 /nfs/dbraw/zinc/16/70/26/744167026.db2.gz LFNFURUEKFUDMH-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035851813 751922446 /nfs/dbraw/zinc/92/24/46/751922446.db2.gz YOMKNJLPGRAFOX-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@@H]2C)CC1 ZINC001089059262 744479262 /nfs/dbraw/zinc/47/92/62/744479262.db2.gz GOOYSWZBKNIRLA-PBHICJAKSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992139855 744629439 /nfs/dbraw/zinc/62/94/39/744629439.db2.gz CVRGEJSNBXPWGJ-WMZOPIPTSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126994 744831099 /nfs/dbraw/zinc/83/10/99/744831099.db2.gz PCKWMGXBPXXLPM-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126994 744831103 /nfs/dbraw/zinc/83/11/03/744831103.db2.gz PCKWMGXBPXXLPM-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001189126994 744831105 /nfs/dbraw/zinc/83/11/05/744831105.db2.gz PCKWMGXBPXXLPM-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190653894 745285467 /nfs/dbraw/zinc/28/54/67/745285467.db2.gz HSZGYAYPTAKRBJ-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190653894 745285472 /nfs/dbraw/zinc/28/54/72/745285472.db2.gz HSZGYAYPTAKRBJ-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190653894 745285474 /nfs/dbraw/zinc/28/54/74/745285474.db2.gz HSZGYAYPTAKRBJ-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCN(CC[N@H+]1CCC[C@](F)(C[NH3+])CC1)C(=O)OCC ZINC001205545618 745382187 /nfs/dbraw/zinc/38/21/87/745382187.db2.gz KRFFAKSLHMCQOI-OAHLLOKOSA-N 2 1 301.406 1.784 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070477 745417985 /nfs/dbraw/zinc/41/79/85/745417985.db2.gz PMINGASWNUCQMN-CYBMUJFWSA-N 2 1 306.410 1.459 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070477 745417990 /nfs/dbraw/zinc/41/79/90/745417990.db2.gz PMINGASWNUCQMN-CYBMUJFWSA-N 2 1 306.410 1.459 20 30 DDEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040641457 752001297 /nfs/dbraw/zinc/00/12/97/752001297.db2.gz PUTMBNKMDRPTKK-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355250 745765986 /nfs/dbraw/zinc/76/59/86/745765986.db2.gz QEWWNUAALBCJFM-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355250 745765991 /nfs/dbraw/zinc/76/59/91/745765991.db2.gz QEWWNUAALBCJFM-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993608440 746230096 /nfs/dbraw/zinc/23/00/96/746230096.db2.gz AMUJINTYATYDHR-RHSMWYFYSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993704077 746296231 /nfs/dbraw/zinc/29/62/31/746296231.db2.gz OFPGYDVIIKGJLT-GOEBONIOSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993704077 746296234 /nfs/dbraw/zinc/29/62/34/746296234.db2.gz OFPGYDVIIKGJLT-GOEBONIOSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245513 746319027 /nfs/dbraw/zinc/31/90/27/746319027.db2.gz BMBCMKWNHFXHSY-KRWDZBQOSA-N 2 1 313.445 1.918 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194729270 746439110 /nfs/dbraw/zinc/43/91/10/746439110.db2.gz QASTVIQHIRKLKI-HZPDHXFCSA-N 2 1 322.453 1.323 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194729270 746439112 /nfs/dbraw/zinc/43/91/12/746439112.db2.gz QASTVIQHIRKLKI-HZPDHXFCSA-N 2 1 322.453 1.323 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203175151 746825766 /nfs/dbraw/zinc/82/57/66/746825766.db2.gz BINZYXGKPBIUTE-HUUCEWRRSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001003056191 746946201 /nfs/dbraw/zinc/94/62/01/746946201.db2.gz MORDNTFCMRUROX-HTWSVDAQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CC(C)C2)CC1 ZINC001003056191 746946204 /nfs/dbraw/zinc/94/62/04/746946204.db2.gz MORDNTFCMRUROX-HTWSVDAQSA-N 2 1 317.477 1.711 20 30 DDEDMP C[NH+](C)CCC(=O)N1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC001197043680 747034323 /nfs/dbraw/zinc/03/43/23/747034323.db2.gz LBWYRRDPLLZASS-UHFFFAOYSA-N 2 1 313.445 1.524 20 30 DDEDMP C[NH+](C)CCC(=O)N1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC001197043680 747034331 /nfs/dbraw/zinc/03/43/31/747034331.db2.gz LBWYRRDPLLZASS-UHFFFAOYSA-N 2 1 313.445 1.524 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848843 747215642 /nfs/dbraw/zinc/21/56/42/747215642.db2.gz MGFKEFYGSUTHJZ-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001198221987 747410971 /nfs/dbraw/zinc/41/09/71/747410971.db2.gz SAQRRCVGIAVXDU-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106905164 747606531 /nfs/dbraw/zinc/60/65/31/747606531.db2.gz CVVURMPNXMZZIJ-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198886055 747645509 /nfs/dbraw/zinc/64/55/09/747645509.db2.gz XYXGBJMGIZPFAI-HNNXBMFYSA-N 2 1 303.406 1.027 20 30 DDEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943529 748046837 /nfs/dbraw/zinc/04/68/37/748046837.db2.gz MGVXAROIJIYIQW-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943529 748046840 /nfs/dbraw/zinc/04/68/40/748046840.db2.gz MGVXAROIJIYIQW-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001201394433 748496748 /nfs/dbraw/zinc/49/67/48/748496748.db2.gz XDUAVRYPKISHAL-UHFFFAOYSA-N 2 1 306.410 1.507 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004616595 748591982 /nfs/dbraw/zinc/59/19/82/748591982.db2.gz LCYCFDUIAQBBLP-QGZVFWFLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110738787 748965633 /nfs/dbraw/zinc/96/56/33/748965633.db2.gz UDQXCRCEZREGLE-OAGGEKHMSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099557239 749060033 /nfs/dbraw/zinc/06/00/33/749060033.db2.gz ZMAWDRPCWWIYII-MLHJIOFPSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099557239 749060039 /nfs/dbraw/zinc/06/00/39/749060039.db2.gz ZMAWDRPCWWIYII-MLHJIOFPSA-N 2 1 317.477 1.519 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114413932 749180363 /nfs/dbraw/zinc/18/03/63/749180363.db2.gz JFIVEDVCNPEVAK-KMANFZQXSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114413932 749180366 /nfs/dbraw/zinc/18/03/66/749180366.db2.gz JFIVEDVCNPEVAK-KMANFZQXSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114413932 749180372 /nfs/dbraw/zinc/18/03/72/749180372.db2.gz JFIVEDVCNPEVAK-KMANFZQXSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014729919 749492705 /nfs/dbraw/zinc/49/27/05/749492705.db2.gz TVNMSENSQAYIJE-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014729919 749492713 /nfs/dbraw/zinc/49/27/13/749492713.db2.gz TVNMSENSQAYIJE-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014729919 749492717 /nfs/dbraw/zinc/49/27/17/749492717.db2.gz TVNMSENSQAYIJE-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001033686013 749716190 /nfs/dbraw/zinc/71/61/90/749716190.db2.gz YIKNXHNQJAVIPS-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932676 750138413 /nfs/dbraw/zinc/13/84/13/750138413.db2.gz RCNOXUOXZDCAAV-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932676 750138418 /nfs/dbraw/zinc/13/84/18/750138418.db2.gz RCNOXUOXZDCAAV-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932676 750138424 /nfs/dbraw/zinc/13/84/24/750138424.db2.gz RCNOXUOXZDCAAV-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932676 750138429 /nfs/dbraw/zinc/13/84/29/750138429.db2.gz RCNOXUOXZDCAAV-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031078 750319607 /nfs/dbraw/zinc/31/96/07/750319607.db2.gz NIIAWJGUEUJUAE-OAGGEKHMSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031078 750319612 /nfs/dbraw/zinc/31/96/12/750319612.db2.gz NIIAWJGUEUJUAE-OAGGEKHMSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031078 750319615 /nfs/dbraw/zinc/31/96/15/750319615.db2.gz NIIAWJGUEUJUAE-OAGGEKHMSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034664124 750636527 /nfs/dbraw/zinc/63/65/27/750636527.db2.gz VQBLMIIREXSSQH-BZSNNMDCSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001034664124 750636530 /nfs/dbraw/zinc/63/65/30/750636530.db2.gz VQBLMIIREXSSQH-BZSNNMDCSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941658 750742756 /nfs/dbraw/zinc/74/27/56/750742756.db2.gz KREKZTULGZASOP-AEFFLSMTSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941658 750742758 /nfs/dbraw/zinc/74/27/58/750742758.db2.gz KREKZTULGZASOP-AEFFLSMTSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941658 750742760 /nfs/dbraw/zinc/74/27/60/750742760.db2.gz KREKZTULGZASOP-AEFFLSMTSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941658 750742763 /nfs/dbraw/zinc/74/27/63/750742763.db2.gz KREKZTULGZASOP-AEFFLSMTSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001034749104 750796254 /nfs/dbraw/zinc/79/62/54/750796254.db2.gz GWRUQVZHMDHNRI-BRWVUGGUSA-N 2 1 305.466 1.900 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CC2 ZINC001035185275 751277953 /nfs/dbraw/zinc/27/79/53/751277953.db2.gz WTKFGDANWACTKC-QGZVFWFLSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035226732 751304351 /nfs/dbraw/zinc/30/43/51/751304351.db2.gz LLGOYETUTYIMKH-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035226732 751304356 /nfs/dbraw/zinc/30/43/56/751304356.db2.gz LLGOYETUTYIMKH-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035226732 751304358 /nfs/dbraw/zinc/30/43/58/751304358.db2.gz LLGOYETUTYIMKH-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035226730 751305140 /nfs/dbraw/zinc/30/51/40/751305140.db2.gz LLGOYETUTYIMKH-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035226730 751305145 /nfs/dbraw/zinc/30/51/45/751305145.db2.gz LLGOYETUTYIMKH-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035226730 751305150 /nfs/dbraw/zinc/30/51/50/751305150.db2.gz LLGOYETUTYIMKH-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000999611356 753042791 /nfs/dbraw/zinc/04/27/91/753042791.db2.gz BJIGRHNTTJRXBV-UHFFFAOYSA-N 2 1 311.389 1.646 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998036 753402246 /nfs/dbraw/zinc/40/22/46/753402246.db2.gz HHCMRBUXGPPJDM-RDJZCZTQSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC=C)CC1 ZINC001032800445 754060302 /nfs/dbraw/zinc/06/03/02/754060302.db2.gz JIBAXFCTGWIGGG-IRXDYDNUSA-N 2 1 301.434 1.193 20 30 DDEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545935 754132914 /nfs/dbraw/zinc/13/29/14/754132914.db2.gz HYUQMNRGQDTIMK-INIZCTEOSA-N 2 1 301.434 1.781 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038545935 754132921 /nfs/dbraw/zinc/13/29/21/754132921.db2.gz HYUQMNRGQDTIMK-INIZCTEOSA-N 2 1 301.434 1.781 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001765989 754501069 /nfs/dbraw/zinc/50/10/69/754501069.db2.gz UMAVAIGSFANSPB-MRXNPFEDSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080346166 755861235 /nfs/dbraw/zinc/86/12/35/755861235.db2.gz PHHDSIHWJCGGCM-UKRRQHHQSA-N 2 1 303.406 1.415 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080346166 755861237 /nfs/dbraw/zinc/86/12/37/755861237.db2.gz PHHDSIHWJCGGCM-UKRRQHHQSA-N 2 1 303.406 1.415 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040265275 762468208 /nfs/dbraw/zinc/46/82/08/762468208.db2.gz XPXHICIUYKNIQZ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040265275 762468213 /nfs/dbraw/zinc/46/82/13/762468213.db2.gz XPXHICIUYKNIQZ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040265275 762468219 /nfs/dbraw/zinc/46/82/19/762468219.db2.gz XPXHICIUYKNIQZ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705201 756480583 /nfs/dbraw/zinc/48/05/83/756480583.db2.gz JAYXTKUFVBWGFL-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705201 756480585 /nfs/dbraw/zinc/48/05/85/756480585.db2.gz JAYXTKUFVBWGFL-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082052892 756608180 /nfs/dbraw/zinc/60/81/80/756608180.db2.gz ODQPVAHUOHCIGJ-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052892 756608182 /nfs/dbraw/zinc/60/81/82/756608182.db2.gz ODQPVAHUOHCIGJ-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052892 756608185 /nfs/dbraw/zinc/60/81/85/756608185.db2.gz ODQPVAHUOHCIGJ-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001016331459 756932243 /nfs/dbraw/zinc/93/22/43/756932243.db2.gz ZPFJGBWYYQSCIW-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097404892 757148721 /nfs/dbraw/zinc/14/87/21/757148721.db2.gz DVKUDLQXPUJOIU-NCOADZHNSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097404892 757148730 /nfs/dbraw/zinc/14/87/30/757148730.db2.gz DVKUDLQXPUJOIU-NCOADZHNSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097404892 757148738 /nfs/dbraw/zinc/14/87/38/757148738.db2.gz DVKUDLQXPUJOIU-NCOADZHNSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097404892 757148742 /nfs/dbraw/zinc/14/87/42/757148742.db2.gz DVKUDLQXPUJOIU-NCOADZHNSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016631943 757220370 /nfs/dbraw/zinc/22/03/70/757220370.db2.gz HJLSTKDPAYVJTO-BZUAXINKSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338188 757500165 /nfs/dbraw/zinc/50/01/65/757500165.db2.gz IMVBKXPXUUSQTG-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338188 757500175 /nfs/dbraw/zinc/50/01/75/757500175.db2.gz IMVBKXPXUUSQTG-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338188 757500185 /nfs/dbraw/zinc/50/01/85/757500185.db2.gz IMVBKXPXUUSQTG-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084338188 757500194 /nfs/dbraw/zinc/50/01/94/757500194.db2.gz IMVBKXPXUUSQTG-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017618691 758086276 /nfs/dbraw/zinc/08/62/76/758086276.db2.gz URDLXSIQYAYWCA-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001017618691 758086290 /nfs/dbraw/zinc/08/62/90/758086290.db2.gz URDLXSIQYAYWCA-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001017618691 758086302 /nfs/dbraw/zinc/08/63/02/758086302.db2.gz URDLXSIQYAYWCA-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001017618691 758086314 /nfs/dbraw/zinc/08/63/14/758086314.db2.gz URDLXSIQYAYWCA-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958249 758098330 /nfs/dbraw/zinc/09/83/30/758098330.db2.gz RRYMWGUMNIFZAX-PMPSAXMXSA-N 2 1 314.433 1.869 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958249 758098334 /nfs/dbraw/zinc/09/83/34/758098334.db2.gz RRYMWGUMNIFZAX-PMPSAXMXSA-N 2 1 314.433 1.869 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085100815 758239532 /nfs/dbraw/zinc/23/95/32/758239532.db2.gz FNNANUBPSAVSJE-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100815 758239536 /nfs/dbraw/zinc/23/95/36/758239536.db2.gz FNNANUBPSAVSJE-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100815 758239542 /nfs/dbraw/zinc/23/95/42/758239542.db2.gz FNNANUBPSAVSJE-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001017836190 758284929 /nfs/dbraw/zinc/28/49/29/758284929.db2.gz YCCPEOLPABGKHX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001017836190 758284940 /nfs/dbraw/zinc/28/49/40/758284940.db2.gz YCCPEOLPABGKHX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017836190 758284954 /nfs/dbraw/zinc/28/49/54/758284954.db2.gz YCCPEOLPABGKHX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017836190 758284963 /nfs/dbraw/zinc/28/49/63/758284963.db2.gz YCCPEOLPABGKHX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001245647 762693222 /nfs/dbraw/zinc/69/32/22/762693222.db2.gz QBUBOJIMIGXGQJ-SJORKVTESA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001245647 762693224 /nfs/dbraw/zinc/69/32/24/762693224.db2.gz QBUBOJIMIGXGQJ-SJORKVTESA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001245647 762693226 /nfs/dbraw/zinc/69/32/26/762693226.db2.gz QBUBOJIMIGXGQJ-SJORKVTESA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143948 759220680 /nfs/dbraw/zinc/22/06/80/759220680.db2.gz MQFFUGQYMNRTIS-QGZVFWFLSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164933 759246537 /nfs/dbraw/zinc/24/65/37/759246537.db2.gz XLRJLHYCAPUPAL-IBGZPJMESA-N 2 1 322.412 1.896 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184943 759268809 /nfs/dbraw/zinc/26/88/09/759268809.db2.gz OXYVIAMFVYRJQB-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184943 759268814 /nfs/dbraw/zinc/26/88/14/759268814.db2.gz OXYVIAMFVYRJQB-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184943 759268819 /nfs/dbraw/zinc/26/88/19/759268819.db2.gz OXYVIAMFVYRJQB-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001018962622 759454159 /nfs/dbraw/zinc/45/41/59/759454159.db2.gz HNIKUEVFZMFLIQ-GJZGRUSLSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597657 759810116 /nfs/dbraw/zinc/81/01/16/759810116.db2.gz CFWIDXZJEHZIIE-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP CC[N@@H+](Cc1ccc(C#N)s1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000026 760157406 /nfs/dbraw/zinc/15/74/06/760157406.db2.gz VHJVXGYKKASDHE-CYBMUJFWSA-N 2 1 322.478 1.898 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086386979 761529990 /nfs/dbraw/zinc/52/99/90/761529990.db2.gz MZNZJTLQWMKZPT-KKUMJFAQSA-N 2 1 302.422 1.821 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082567 761600399 /nfs/dbraw/zinc/60/03/99/761600399.db2.gz DTXODEGSLIXONV-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082567 761600407 /nfs/dbraw/zinc/60/04/07/761600407.db2.gz DTXODEGSLIXONV-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082567 761600413 /nfs/dbraw/zinc/60/04/13/761600413.db2.gz DTXODEGSLIXONV-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)CCC1 ZINC001129350665 762782367 /nfs/dbraw/zinc/78/23/67/762782367.db2.gz DCLGOKPIDNXRSU-UHFFFAOYSA-N 2 1 318.396 1.387 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041287434 762934764 /nfs/dbraw/zinc/93/47/64/762934764.db2.gz QRLKPABFPVQCMH-IEBWSBKVSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041411991 763011606 /nfs/dbraw/zinc/01/16/06/763011606.db2.gz DGUMTTUBGNBSTK-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041411991 763011613 /nfs/dbraw/zinc/01/16/13/763011613.db2.gz DGUMTTUBGNBSTK-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041411991 763011620 /nfs/dbraw/zinc/01/16/20/763011620.db2.gz DGUMTTUBGNBSTK-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041440704 763032789 /nfs/dbraw/zinc/03/27/89/763032789.db2.gz QUWNJFBBCHNXQX-GOSISDBHSA-N 2 1 315.461 1.563 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050157079 763234687 /nfs/dbraw/zinc/23/46/87/763234687.db2.gz YAOJFKPVHWXKFQ-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001050208926 763326075 /nfs/dbraw/zinc/32/60/75/763326075.db2.gz WFDHHYCSOJRPID-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041844655 763401367 /nfs/dbraw/zinc/40/13/67/763401367.db2.gz CCYHWFHBUUCWRH-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846167 763402989 /nfs/dbraw/zinc/40/29/89/763402989.db2.gz YHTDCVOQLVHJGL-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846167 763402990 /nfs/dbraw/zinc/40/29/90/763402990.db2.gz YHTDCVOQLVHJGL-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846167 763402991 /nfs/dbraw/zinc/40/29/91/763402991.db2.gz YHTDCVOQLVHJGL-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095606 763644226 /nfs/dbraw/zinc/64/42/26/763644226.db2.gz OGTUZHIHXCCPOL-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042095606 763644221 /nfs/dbraw/zinc/64/42/21/763644221.db2.gz OGTUZHIHXCCPOL-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042095606 763644224 /nfs/dbraw/zinc/64/42/24/763644224.db2.gz OGTUZHIHXCCPOL-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042135956 763693535 /nfs/dbraw/zinc/69/35/35/763693535.db2.gz ZKIXWQBQZUHTOC-YJBOKZPZSA-N 2 1 322.412 1.894 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050664942 763890700 /nfs/dbraw/zinc/89/07/00/763890700.db2.gz TULIUNGZABBMEW-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314369 763904679 /nfs/dbraw/zinc/90/46/79/763904679.db2.gz OYENTVSSPUGYBJ-GJZGRUSLSA-N 2 1 323.868 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314369 763904684 /nfs/dbraw/zinc/90/46/84/763904684.db2.gz OYENTVSSPUGYBJ-GJZGRUSLSA-N 2 1 323.868 1.758 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046993113 768177617 /nfs/dbraw/zinc/17/76/17/768177617.db2.gz LBVAEOQSPWHKHO-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993113 768177621 /nfs/dbraw/zinc/17/76/21/768177621.db2.gz LBVAEOQSPWHKHO-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993113 768177623 /nfs/dbraw/zinc/17/76/23/768177623.db2.gz LBVAEOQSPWHKHO-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050764949 764020112 /nfs/dbraw/zinc/02/01/12/764020112.db2.gz DTXFFKYTAKFHFN-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563943 764407400 /nfs/dbraw/zinc/40/74/00/764407400.db2.gz VVMVGUHZRLDECJ-RYRKJORJSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051283353 764709823 /nfs/dbraw/zinc/70/98/23/764709823.db2.gz HXDTVPVJDYJOBW-GOSISDBHSA-N 2 1 311.429 1.388 20 30 DDEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051283353 764709833 /nfs/dbraw/zinc/70/98/33/764709833.db2.gz HXDTVPVJDYJOBW-GOSISDBHSA-N 2 1 311.429 1.388 20 30 DDEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CCC[NH+]3C)cccc2C1 ZINC001051283353 764709840 /nfs/dbraw/zinc/70/98/40/764709840.db2.gz HXDTVPVJDYJOBW-GOSISDBHSA-N 2 1 311.429 1.388 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131692027 768275280 /nfs/dbraw/zinc/27/52/80/768275280.db2.gz CPPJLZTUYCCACA-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692027 768275286 /nfs/dbraw/zinc/27/52/86/768275286.db2.gz CPPJLZTUYCCACA-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692027 768275289 /nfs/dbraw/zinc/27/52/89/768275289.db2.gz CPPJLZTUYCCACA-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001113247985 765470263 /nfs/dbraw/zinc/47/02/63/765470263.db2.gz MYFBPIMHXAJLNS-QGZVFWFLSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001113247985 765470271 /nfs/dbraw/zinc/47/02/71/765470271.db2.gz MYFBPIMHXAJLNS-QGZVFWFLSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001052275460 765662624 /nfs/dbraw/zinc/66/26/24/765662624.db2.gz LWDXXMLSAXANEQ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275460 765662627 /nfs/dbraw/zinc/66/26/27/765662627.db2.gz LWDXXMLSAXANEQ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275460 765662630 /nfs/dbraw/zinc/66/26/30/765662630.db2.gz LWDXXMLSAXANEQ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001052275460 765662632 /nfs/dbraw/zinc/66/26/32/765662632.db2.gz LWDXXMLSAXANEQ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052437852 765826058 /nfs/dbraw/zinc/82/60/58/765826058.db2.gz JYWDXJUQKAGUEL-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052437852 765826066 /nfs/dbraw/zinc/82/60/66/765826066.db2.gz JYWDXJUQKAGUEL-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052437852 765826075 /nfs/dbraw/zinc/82/60/75/765826075.db2.gz JYWDXJUQKAGUEL-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@H]1CCCc2[nH+]ccn21 ZINC001129416840 766874125 /nfs/dbraw/zinc/87/41/25/766874125.db2.gz KGDOIYXZVIPKOY-QGZVFWFLSA-N 2 1 322.412 1.518 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001129790782 766995279 /nfs/dbraw/zinc/99/52/79/766995279.db2.gz HTMRRBBUQOTEHZ-PBHICJAKSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001129790782 766995281 /nfs/dbraw/zinc/99/52/81/766995281.db2.gz HTMRRBBUQOTEHZ-PBHICJAKSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001129771057 766999260 /nfs/dbraw/zinc/99/92/60/766999260.db2.gz PHFDHBUIOKUPOT-JCYILVPMSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCC(C)CC1 ZINC001129771057 766999265 /nfs/dbraw/zinc/99/92/65/766999265.db2.gz PHFDHBUIOKUPOT-JCYILVPMSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001129771347 766999633 /nfs/dbraw/zinc/99/96/33/766999633.db2.gz WICDLLSUVDVOML-KBPBESRZSA-N 2 1 313.392 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001129771347 766999639 /nfs/dbraw/zinc/99/96/39/766999639.db2.gz WICDLLSUVDVOML-KBPBESRZSA-N 2 1 313.392 1.225 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1F ZINC001129771113 767000437 /nfs/dbraw/zinc/00/04/37/767000437.db2.gz RIISXCLGHMWOLX-INIZCTEOSA-N 2 1 303.381 1.129 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1F ZINC001129771113 767000449 /nfs/dbraw/zinc/00/04/49/767000449.db2.gz RIISXCLGHMWOLX-INIZCTEOSA-N 2 1 303.381 1.129 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001129855045 767016714 /nfs/dbraw/zinc/01/67/14/767016714.db2.gz BWCXUYNOQJVIBY-CYBMUJFWSA-N 2 1 320.462 1.700 20 30 DDEDMP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130298171 767418964 /nfs/dbraw/zinc/41/89/64/767418964.db2.gz XKZDXIZVRSZFLK-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130298171 767418965 /nfs/dbraw/zinc/41/89/65/767418965.db2.gz XKZDXIZVRSZFLK-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001046331004 767429422 /nfs/dbraw/zinc/42/94/22/767429422.db2.gz ZJCCQDMTJAUVNL-DOTOQJQBSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCN1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001046331004 767429427 /nfs/dbraw/zinc/42/94/27/767429427.db2.gz ZJCCQDMTJAUVNL-DOTOQJQBSA-N 2 1 317.437 1.557 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311784 768750457 /nfs/dbraw/zinc/75/04/57/768750457.db2.gz YDAPAIUASOJRTM-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311784 768750462 /nfs/dbraw/zinc/75/04/62/768750462.db2.gz YDAPAIUASOJRTM-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311784 768750464 /nfs/dbraw/zinc/75/04/64/768750464.db2.gz YDAPAIUASOJRTM-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132931721 769332420 /nfs/dbraw/zinc/33/24/20/769332420.db2.gz CMVYTKUWPABXDH-KGLIPLIRSA-N 2 1 320.437 1.610 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857553 769997752 /nfs/dbraw/zinc/99/77/52/769997752.db2.gz ICJIYHOHFNJKJP-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857553 769997760 /nfs/dbraw/zinc/99/77/60/769997760.db2.gz ICJIYHOHFNJKJP-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857553 769997763 /nfs/dbraw/zinc/99/77/63/769997763.db2.gz ICJIYHOHFNJKJP-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048872001 770027023 /nfs/dbraw/zinc/02/70/23/770027023.db2.gz VLPVYVJRAPSLSY-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872001 770027035 /nfs/dbraw/zinc/02/70/35/770027035.db2.gz VLPVYVJRAPSLSY-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872001 770027041 /nfs/dbraw/zinc/02/70/41/770027041.db2.gz VLPVYVJRAPSLSY-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049025872 770263677 /nfs/dbraw/zinc/26/36/77/770263677.db2.gz ZMZURVAUDRKAFC-CALCHBBNSA-N 2 1 305.466 1.685 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001133819654 770286693 /nfs/dbraw/zinc/28/66/93/770286693.db2.gz KFKSKZJVFATLCV-CYBMUJFWSA-N 2 1 318.396 1.387 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001133833643 770318255 /nfs/dbraw/zinc/31/82/55/770318255.db2.gz BDSDPVSMTQNZFL-LBPRGKRZSA-N 2 1 306.435 1.310 20 30 DDEDMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133865744 770383154 /nfs/dbraw/zinc/38/31/54/770383154.db2.gz FZCXIIZOQSGQBG-WBMJQRKESA-N 2 1 318.396 1.101 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133865744 770383168 /nfs/dbraw/zinc/38/31/68/770383168.db2.gz FZCXIIZOQSGQBG-WBMJQRKESA-N 2 1 318.396 1.101 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171081 770494761 /nfs/dbraw/zinc/49/47/61/770494761.db2.gz JXMSRMCODMQYFX-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC#CC)C2)CC1 ZINC001072095898 770536020 /nfs/dbraw/zinc/53/60/20/770536020.db2.gz PXVRDZBWLSVYII-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096293 770537778 /nfs/dbraw/zinc/53/77/78/770537778.db2.gz WXYVHKHNSGINEP-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001049234421 770581134 /nfs/dbraw/zinc/58/11/34/770581134.db2.gz GDGWMENFKMYGNH-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049448260 770849361 /nfs/dbraw/zinc/84/93/61/770849361.db2.gz RMHWADUZRCBJCL-HUUCEWRRSA-N 2 1 302.422 1.984 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482504 770911925 /nfs/dbraw/zinc/91/19/25/770911925.db2.gz OAFHVNJPDNAVCT-XWTMOSNGSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482504 770911930 /nfs/dbraw/zinc/91/19/30/770911930.db2.gz OAFHVNJPDNAVCT-XWTMOSNGSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482504 770911935 /nfs/dbraw/zinc/91/19/35/770911935.db2.gz OAFHVNJPDNAVCT-XWTMOSNGSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675521 771644696 /nfs/dbraw/zinc/64/46/96/771644696.db2.gz HNYJIGFHJTXVEE-KGLIPLIRSA-N 2 1 317.861 1.334 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001086783814 771725497 /nfs/dbraw/zinc/72/54/97/771725497.db2.gz QOWSEYKLKWTZGU-GVDBMIGSSA-N 2 1 305.466 1.616 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001135995329 771826073 /nfs/dbraw/zinc/82/60/73/771826073.db2.gz CWUHLEZOIZOUBY-JKSUJKDBSA-N 2 1 311.470 1.241 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090615809 772043250 /nfs/dbraw/zinc/04/32/50/772043250.db2.gz KHKPOYWAJIDPND-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090615809 772043255 /nfs/dbraw/zinc/04/32/55/772043255.db2.gz KHKPOYWAJIDPND-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149400340 772778646 /nfs/dbraw/zinc/77/86/46/772778646.db2.gz WUCPJKNVDAVECW-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400340 772778649 /nfs/dbraw/zinc/77/86/49/772778649.db2.gz WUCPJKNVDAVECW-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400340 772778653 /nfs/dbraw/zinc/77/86/53/772778653.db2.gz WUCPJKNVDAVECW-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627532 773237266 /nfs/dbraw/zinc/23/72/66/773237266.db2.gz YSLCWWHPNHBKOX-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627532 773237271 /nfs/dbraw/zinc/23/72/71/773237271.db2.gz YSLCWWHPNHBKOX-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627532 773237273 /nfs/dbraw/zinc/23/72/73/773237273.db2.gz YSLCWWHPNHBKOX-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091664696 773258775 /nfs/dbraw/zinc/25/87/75/773258775.db2.gz ZCTSZIJUAVKEHO-RYRKJORJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664696 773258782 /nfs/dbraw/zinc/25/87/82/773258782.db2.gz ZCTSZIJUAVKEHO-RYRKJORJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664696 773258787 /nfs/dbraw/zinc/25/87/87/773258787.db2.gz ZCTSZIJUAVKEHO-RYRKJORJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661977 773276224 /nfs/dbraw/zinc/27/62/24/773276224.db2.gz FSIHELULLANBOF-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661977 773276229 /nfs/dbraw/zinc/27/62/29/773276229.db2.gz FSIHELULLANBOF-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661977 773276236 /nfs/dbraw/zinc/27/62/36/773276236.db2.gz FSIHELULLANBOF-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284838 773432152 /nfs/dbraw/zinc/43/21/52/773432152.db2.gz HFRRCNYANSRSQF-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754692 773630394 /nfs/dbraw/zinc/63/03/94/773630394.db2.gz XUMPVCKKXFIIQB-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754692 773630397 /nfs/dbraw/zinc/63/03/97/773630397.db2.gz XUMPVCKKXFIIQB-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754692 773630399 /nfs/dbraw/zinc/63/03/99/773630399.db2.gz XUMPVCKKXFIIQB-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932229 773737109 /nfs/dbraw/zinc/73/71/09/773737109.db2.gz DZVHLVRPEQZTFW-OAHLLOKOSA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611456 774191638 /nfs/dbraw/zinc/19/16/38/774191638.db2.gz WUTAYQRYPQPGJC-KBAYOESNSA-N 2 1 319.493 1.979 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759479 774506191 /nfs/dbraw/zinc/50/61/91/774506191.db2.gz MQLOULCOUJRGHB-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762862 774516569 /nfs/dbraw/zinc/51/65/69/774516569.db2.gz QKJNJGARDOHQFE-WBVHZDCISA-N 2 1 308.385 1.504 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479167 774589403 /nfs/dbraw/zinc/58/94/03/774589403.db2.gz VBHUYNJCLIELCG-DOTOQJQBSA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479167 774589408 /nfs/dbraw/zinc/58/94/08/774589408.db2.gz VBHUYNJCLIELCG-DOTOQJQBSA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479167 774589411 /nfs/dbraw/zinc/58/94/11/774589411.db2.gz VBHUYNJCLIELCG-DOTOQJQBSA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036809249 774668463 /nfs/dbraw/zinc/66/84/63/774668463.db2.gz HVVNFNLPOSPDOR-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001098875601 774701827 /nfs/dbraw/zinc/70/18/27/774701827.db2.gz SGRUQPFLZJWUBC-MPGHIAIKSA-N 2 1 314.433 1.917 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001098875601 774701832 /nfs/dbraw/zinc/70/18/32/774701832.db2.gz SGRUQPFLZJWUBC-MPGHIAIKSA-N 2 1 314.433 1.917 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996400 774764589 /nfs/dbraw/zinc/76/45/89/774764589.db2.gz FUANARUKCDKOPP-DWRORGKVSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001098996400 774764592 /nfs/dbraw/zinc/76/45/92/774764592.db2.gz FUANARUKCDKOPP-DWRORGKVSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996400 774764596 /nfs/dbraw/zinc/76/45/96/774764596.db2.gz FUANARUKCDKOPP-DWRORGKVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001099101386 774832037 /nfs/dbraw/zinc/83/20/37/774832037.db2.gz WMXDGFUEVJLUKR-HKUYNNGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001099160336 774871312 /nfs/dbraw/zinc/87/13/12/774871312.db2.gz PDROFYOQBKYYCI-DZKIICNBSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099160336 774871319 /nfs/dbraw/zinc/87/13/19/774871319.db2.gz PDROFYOQBKYYCI-DZKIICNBSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099160336 774871327 /nfs/dbraw/zinc/87/13/27/774871327.db2.gz PDROFYOQBKYYCI-DZKIICNBSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099160336 774871336 /nfs/dbraw/zinc/87/13/36/774871336.db2.gz PDROFYOQBKYYCI-DZKIICNBSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036870573 775008235 /nfs/dbraw/zinc/00/82/35/775008235.db2.gz XPXPBPWTOWHFAY-HUUCEWRRSA-N 2 1 323.868 1.758 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCC)C1 ZINC001100415474 776122057 /nfs/dbraw/zinc/12/20/57/776122057.db2.gz SLYIEEKEFJPLSV-JCYILVPMSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCCC)C1 ZINC001100415474 776122061 /nfs/dbraw/zinc/12/20/61/776122061.db2.gz SLYIEEKEFJPLSV-JCYILVPMSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(=C)C)C1 ZINC001100415395 776122482 /nfs/dbraw/zinc/12/24/82/776122482.db2.gz ODPRFPWEJNKCRV-JCYILVPMSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(=C)C)C1 ZINC001100415395 776122486 /nfs/dbraw/zinc/12/24/86/776122486.db2.gz ODPRFPWEJNKCRV-JCYILVPMSA-N 2 1 303.450 1.535 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001100467596 776196158 /nfs/dbraw/zinc/19/61/58/776196158.db2.gz FGRXLGAXNNPKPU-UHFFFAOYSA-N 2 1 306.410 1.410 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513624 776260086 /nfs/dbraw/zinc/26/00/86/776260086.db2.gz CUZDSJKSAGAORS-UHFFFAOYSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001100677499 776430553 /nfs/dbraw/zinc/43/05/53/776430553.db2.gz QBULBQFTILKPHX-HWOWSKLDSA-N 2 1 314.433 1.262 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001171763009 776449236 /nfs/dbraw/zinc/44/92/36/776449236.db2.gz QFIXQMWFPQEMAU-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171817183 776462368 /nfs/dbraw/zinc/46/23/68/776462368.db2.gz SNMFJPCTBKTPEF-HNNXBMFYSA-N 2 1 320.437 1.106 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101065572 776874099 /nfs/dbraw/zinc/87/40/99/776874099.db2.gz XYOUPNWBKJGEFB-UHFFFAOYSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101065572 776874104 /nfs/dbraw/zinc/87/41/04/776874104.db2.gz XYOUPNWBKJGEFB-UHFFFAOYSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368585 777100292 /nfs/dbraw/zinc/10/02/92/777100292.db2.gz BNCVIMPZFZEMCE-APWZRJJASA-N 2 1 319.493 1.768 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368585 777100296 /nfs/dbraw/zinc/10/02/96/777100296.db2.gz BNCVIMPZFZEMCE-APWZRJJASA-N 2 1 319.493 1.768 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368585 777100302 /nfs/dbraw/zinc/10/03/02/777100302.db2.gz BNCVIMPZFZEMCE-APWZRJJASA-N 2 1 319.493 1.768 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436643 777139683 /nfs/dbraw/zinc/13/96/83/777139683.db2.gz AVSHNNZYUALBHB-AEFFLSMTSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101441259 777141817 /nfs/dbraw/zinc/14/18/17/777141817.db2.gz PDEMUITUMMZDPP-AEFFLSMTSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441259 777141824 /nfs/dbraw/zinc/14/18/24/777141824.db2.gz PDEMUITUMMZDPP-AEFFLSMTSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101441259 777141827 /nfs/dbraw/zinc/14/18/27/777141827.db2.gz PDEMUITUMMZDPP-AEFFLSMTSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460416 777153033 /nfs/dbraw/zinc/15/30/33/777153033.db2.gz DONZPXFMYDRJGR-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460416 777153037 /nfs/dbraw/zinc/15/30/37/777153037.db2.gz DONZPXFMYDRJGR-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460416 777153039 /nfs/dbraw/zinc/15/30/39/777153039.db2.gz DONZPXFMYDRJGR-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102013109 777795821 /nfs/dbraw/zinc/79/58/21/777795821.db2.gz LLTJCQNALNCKQI-OAGGEKHMSA-N 2 1 313.461 1.927 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290818 778014156 /nfs/dbraw/zinc/01/41/56/778014156.db2.gz WFLUDJQQXSBOSG-HZPDHXFCSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176644623 778199813 /nfs/dbraw/zinc/19/98/13/778199813.db2.gz YVGJRVJZWZGURA-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176644623 778199816 /nfs/dbraw/zinc/19/98/16/778199816.db2.gz YVGJRVJZWZGURA-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819379 778426134 /nfs/dbraw/zinc/42/61/34/778426134.db2.gz RWCIPGHWPKHEER-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001102819379 778426136 /nfs/dbraw/zinc/42/61/36/778426136.db2.gz RWCIPGHWPKHEER-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001102819379 778426139 /nfs/dbraw/zinc/42/61/39/778426139.db2.gz RWCIPGHWPKHEER-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001102819379 778426142 /nfs/dbraw/zinc/42/61/42/778426142.db2.gz RWCIPGHWPKHEER-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001177138229 778457240 /nfs/dbraw/zinc/45/72/40/778457240.db2.gz KJWFKUUIFASBCP-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001177138229 778457242 /nfs/dbraw/zinc/45/72/42/778457242.db2.gz KJWFKUUIFASBCP-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138229 778457244 /nfs/dbraw/zinc/45/72/44/778457244.db2.gz KJWFKUUIFASBCP-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138229 778457247 /nfs/dbraw/zinc/45/72/47/778457247.db2.gz KJWFKUUIFASBCP-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212111 779648057 /nfs/dbraw/zinc/64/80/57/779648057.db2.gz NHDJPBQGWIXNTO-CHWSQXEVSA-N 2 1 319.371 1.329 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292339 780011766 /nfs/dbraw/zinc/01/17/66/780011766.db2.gz MEDIWEHVKJNEJZ-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCN1CCN(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001120360742 781896324 /nfs/dbraw/zinc/89/63/24/781896324.db2.gz ZDQPFHGBOUTVMR-ARFHVFGLSA-N 2 1 306.454 1.530 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001279618992 837671322 /nfs/dbraw/zinc/67/13/22/837671322.db2.gz VMFJWSULFGGADD-YESZJQIVSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267278800 837730814 /nfs/dbraw/zinc/73/08/14/837730814.db2.gz QSCQRKLBLOESFJ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001267279045 837732349 /nfs/dbraw/zinc/73/23/49/837732349.db2.gz VYSGXGRWHGTTHI-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001267279045 837732354 /nfs/dbraw/zinc/73/23/54/837732354.db2.gz VYSGXGRWHGTTHI-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266805073 836861171 /nfs/dbraw/zinc/86/11/71/836861171.db2.gz UPVIAQIQLPIEEI-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001266898230 837021277 /nfs/dbraw/zinc/02/12/77/837021277.db2.gz UATBITNATRRZHB-IAGOWNOFSA-N 2 1 323.481 1.195 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266898230 837021287 /nfs/dbraw/zinc/02/12/87/837021287.db2.gz UATBITNATRRZHB-IAGOWNOFSA-N 2 1 323.481 1.195 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001266898230 837021296 /nfs/dbraw/zinc/02/12/96/837021296.db2.gz UATBITNATRRZHB-IAGOWNOFSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001267382184 837959413 /nfs/dbraw/zinc/95/94/13/837959413.db2.gz NBUPHEUCDZOMNG-QGZVFWFLSA-N 2 1 301.434 1.797 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001271996706 844281452 /nfs/dbraw/zinc/28/14/52/844281452.db2.gz PSTQVPHWADLGJV-KRWDZBQOSA-N 2 1 320.437 1.101 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001271996706 844281459 /nfs/dbraw/zinc/28/14/59/844281459.db2.gz PSTQVPHWADLGJV-KRWDZBQOSA-N 2 1 320.437 1.101 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267585857 838369083 /nfs/dbraw/zinc/36/90/83/838369083.db2.gz DZJBBNQRXNHDSI-AWEZNQCLSA-N 2 1 320.437 1.706 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267585857 838369091 /nfs/dbraw/zinc/36/90/91/838369091.db2.gz DZJBBNQRXNHDSI-AWEZNQCLSA-N 2 1 320.437 1.706 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267688415 838644820 /nfs/dbraw/zinc/64/48/20/838644820.db2.gz JYSHRMYXGKTXKL-ZDUSSCGKSA-N 2 1 320.437 1.753 20 30 DDEDMP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268054992 839616145 /nfs/dbraw/zinc/61/61/45/839616145.db2.gz RSPMBJBDCOFJLQ-AEFFLSMTSA-N 2 1 313.445 1.569 20 30 DDEDMP C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001268181245 839802877 /nfs/dbraw/zinc/80/28/77/839802877.db2.gz WEZDNFAUKURBAA-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001268419326 840158809 /nfs/dbraw/zinc/15/88/09/840158809.db2.gz ZKUPCRSCNDZEGH-DOTOQJQBSA-N 2 1 301.434 1.797 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268644770 840626488 /nfs/dbraw/zinc/62/64/88/840626488.db2.gz ATNBYVAKXFZBSR-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001269460755 841660792 /nfs/dbraw/zinc/66/07/92/841660792.db2.gz KNJXWLAIHCJIGT-LSDHHAIUSA-N 2 1 302.422 1.262 20 30 DDEDMP C=CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCOCC2)CCCC[C@H]1C ZINC001269675772 841925587 /nfs/dbraw/zinc/92/55/87/841925587.db2.gz CJMGAMYSPOSOBA-SJLPKXTDSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1 ZINC001270427328 842568974 /nfs/dbraw/zinc/56/89/74/842568974.db2.gz MIOYEOYUSQWQKI-ZFWWWQNUSA-N 2 1 320.462 1.083 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cncs1 ZINC001270427328 842568983 /nfs/dbraw/zinc/56/89/83/842568983.db2.gz MIOYEOYUSQWQKI-ZFWWWQNUSA-N 2 1 320.462 1.083 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870123 847571279 /nfs/dbraw/zinc/57/12/79/847571279.db2.gz IGMJDQLHUUTYEE-SFHVURJKSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870123 847571290 /nfs/dbraw/zinc/57/12/90/847571290.db2.gz IGMJDQLHUUTYEE-SFHVURJKSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001272893507 847600762 /nfs/dbraw/zinc/60/07/62/847600762.db2.gz LHXPKDDOMAPHAD-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001272893507 847600768 /nfs/dbraw/zinc/60/07/68/847600768.db2.gz LHXPKDDOMAPHAD-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273028972 847810238 /nfs/dbraw/zinc/81/02/38/847810238.db2.gz CFQHMCODSASQSN-QGZVFWFLSA-N 2 1 305.422 1.013 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364076 848415302 /nfs/dbraw/zinc/41/53/02/848415302.db2.gz PZYJGKLYPBKEBQ-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364076 848415305 /nfs/dbraw/zinc/41/53/05/848415305.db2.gz PZYJGKLYPBKEBQ-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364076 848415311 /nfs/dbraw/zinc/41/53/11/848415311.db2.gz PZYJGKLYPBKEBQ-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364076 848415315 /nfs/dbraw/zinc/41/53/15/848415315.db2.gz PZYJGKLYPBKEBQ-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144146 848563220 /nfs/dbraw/zinc/56/32/20/848563220.db2.gz NZTKXYMIWYCFRR-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144146 848563222 /nfs/dbraw/zinc/56/32/22/848563222.db2.gz NZTKXYMIWYCFRR-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144146 848563224 /nfs/dbraw/zinc/56/32/24/848563224.db2.gz NZTKXYMIWYCFRR-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP N#Cc1cc2nc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)ccc2[nH]1 ZINC001155375641 862008873 /nfs/dbraw/zinc/00/88/73/862008873.db2.gz GLQGRUCTDGWENQ-CQSZACIVSA-N 2 1 310.405 1.294 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274270683 852114867 /nfs/dbraw/zinc/11/48/67/852114867.db2.gz UIKLJPJZTWYTFW-SFHVURJKSA-N 2 1 308.385 1.621 20 30 DDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001274863416 852649894 /nfs/dbraw/zinc/64/98/94/852649894.db2.gz WMMBWFDDAMBCGT-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001275159455 852846642 /nfs/dbraw/zinc/84/66/42/852846642.db2.gz CZBFHYFLKJDCQD-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275159455 852846654 /nfs/dbraw/zinc/84/66/54/852846654.db2.gz CZBFHYFLKJDCQD-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275159455 852846670 /nfs/dbraw/zinc/84/66/70/852846670.db2.gz CZBFHYFLKJDCQD-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001275413995 853088847 /nfs/dbraw/zinc/08/88/47/853088847.db2.gz PRXAZQAXIYRFBX-HDICACEKSA-N 2 1 316.424 1.908 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C#N)c1 ZINC001275413995 853088851 /nfs/dbraw/zinc/08/88/51/853088851.db2.gz PRXAZQAXIYRFBX-HDICACEKSA-N 2 1 316.424 1.908 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001155791013 862455228 /nfs/dbraw/zinc/45/52/28/862455228.db2.gz QOKBOAHGXQUIBD-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001276053052 854678074 /nfs/dbraw/zinc/67/80/74/854678074.db2.gz REHZFFHKFZDYMN-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001276053052 854678081 /nfs/dbraw/zinc/67/80/81/854678081.db2.gz REHZFFHKFZDYMN-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001006432897 855405403 /nfs/dbraw/zinc/40/54/03/855405403.db2.gz BFUOCPPQZZEOSR-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006432897 855405407 /nfs/dbraw/zinc/40/54/07/855405407.db2.gz BFUOCPPQZZEOSR-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001151334906 862732300 /nfs/dbraw/zinc/73/23/00/862732300.db2.gz PSQIFRVOXZTRKB-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001072755079 857672032 /nfs/dbraw/zinc/67/20/32/857672032.db2.gz RMFRSFSOEPAUJM-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072755079 857672037 /nfs/dbraw/zinc/67/20/37/857672037.db2.gz RMFRSFSOEPAUJM-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072755079 857672041 /nfs/dbraw/zinc/67/20/41/857672041.db2.gz RMFRSFSOEPAUJM-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC001072870466 857825545 /nfs/dbraw/zinc/82/55/45/857825545.db2.gz JYZBCFLNLPFSQT-HNNXBMFYSA-N 2 1 312.417 1.003 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073025571 858013462 /nfs/dbraw/zinc/01/34/62/858013462.db2.gz HXINVLNDHPVLNC-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073025571 858013474 /nfs/dbraw/zinc/01/34/74/858013474.db2.gz HXINVLNDHPVLNC-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599423 858473511 /nfs/dbraw/zinc/47/35/11/858473511.db2.gz FARRMSWYSZNYGT-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599423 858473514 /nfs/dbraw/zinc/47/35/14/858473514.db2.gz FARRMSWYSZNYGT-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599423 858473520 /nfs/dbraw/zinc/47/35/20/858473520.db2.gz FARRMSWYSZNYGT-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605125 858478166 /nfs/dbraw/zinc/47/81/66/858478166.db2.gz BGBGXHOPPFVTCG-DLBZAZTESA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001328764743 863204106 /nfs/dbraw/zinc/20/41/06/863204106.db2.gz CXCKWFLOCNOQTJ-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001328764743 863204117 /nfs/dbraw/zinc/20/41/17/863204117.db2.gz CXCKWFLOCNOQTJ-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[C@H](C)N1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001329693292 863793629 /nfs/dbraw/zinc/79/36/29/863793629.db2.gz HKBYCZHCSMGHOU-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001329693292 863793639 /nfs/dbraw/zinc/79/36/39/863793639.db2.gz HKBYCZHCSMGHOU-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930045 864238256 /nfs/dbraw/zinc/23/82/56/864238256.db2.gz DXZOISNYXJXOJO-CVEARBPZSA-N 2 1 313.486 1.602 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123431 864428620 /nfs/dbraw/zinc/42/86/20/864428620.db2.gz ZIPSQEZFWOFUHT-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123431 864428628 /nfs/dbraw/zinc/42/86/28/864428628.db2.gz ZIPSQEZFWOFUHT-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123431 864428637 /nfs/dbraw/zinc/42/86/37/864428637.db2.gz ZIPSQEZFWOFUHT-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001330952920 864732041 /nfs/dbraw/zinc/73/20/41/864732041.db2.gz AIKPGAAWUGERAF-KBPBESRZSA-N 2 1 301.862 1.955 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH+](C)CC#CCOC ZINC001158787496 864906781 /nfs/dbraw/zinc/90/67/81/864906781.db2.gz VDNRIPLOZXHGHS-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC#CCOC ZINC001158787496 864906786 /nfs/dbraw/zinc/90/67/86/864906786.db2.gz VDNRIPLOZXHGHS-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP CCC[NH+](C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC#CCOC ZINC001158787496 864906793 /nfs/dbraw/zinc/90/67/93/864906793.db2.gz VDNRIPLOZXHGHS-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001331267847 864977358 /nfs/dbraw/zinc/97/73/58/864977358.db2.gz JMKLGZXHBIIOBV-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001331267847 864977364 /nfs/dbraw/zinc/97/73/64/864977364.db2.gz JMKLGZXHBIIOBV-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001332218121 865673183 /nfs/dbraw/zinc/67/31/83/865673183.db2.gz JUCAMVUVVHPNBQ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCC(C)C ZINC001160209232 865730534 /nfs/dbraw/zinc/73/05/34/865730534.db2.gz FEHZMQYYVFOOKC-KRWDZBQOSA-N 2 1 323.481 1.243 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCC(C)C ZINC001160209232 865730549 /nfs/dbraw/zinc/73/05/49/865730549.db2.gz FEHZMQYYVFOOKC-KRWDZBQOSA-N 2 1 323.481 1.243 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001332400581 865814760 /nfs/dbraw/zinc/81/47/60/865814760.db2.gz XTZVNDLTMGTKPR-OAHLLOKOSA-N 2 1 320.437 1.221 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160519021 865905552 /nfs/dbraw/zinc/90/55/52/865905552.db2.gz VFHGRIPVBJUUJR-UHFFFAOYSA-N 2 1 305.466 1.878 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519021 865905556 /nfs/dbraw/zinc/90/55/56/865905556.db2.gz VFHGRIPVBJUUJR-UHFFFAOYSA-N 2 1 305.466 1.878 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160519021 865905565 /nfs/dbraw/zinc/90/55/65/865905565.db2.gz VFHGRIPVBJUUJR-UHFFFAOYSA-N 2 1 305.466 1.878 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001332709199 866086885 /nfs/dbraw/zinc/08/68/85/866086885.db2.gz ZGQOWWPZIUSZRN-UHFFFAOYSA-N 2 1 321.465 1.931 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC001332709199 866086902 /nfs/dbraw/zinc/08/69/02/866086902.db2.gz ZGQOWWPZIUSZRN-UHFFFAOYSA-N 2 1 321.465 1.931 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001161043287 866313047 /nfs/dbraw/zinc/31/30/47/866313047.db2.gz ZTIWUXGDLQCAII-HNNXBMFYSA-N 2 1 320.462 1.700 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001323080067 866320724 /nfs/dbraw/zinc/32/07/24/866320724.db2.gz FMWPSUMUYZXBET-SJORKVTESA-N 2 1 305.466 1.757 20 30 DDEDMP C=CC[N@@H+](C)CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001320041429 866443824 /nfs/dbraw/zinc/44/38/24/866443824.db2.gz GUUTYHBXBBXJKM-UHFFFAOYSA-N 2 1 306.410 1.460 20 30 DDEDMP C=CC[N@H+](C)CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001320041429 866443827 /nfs/dbraw/zinc/44/38/27/866443827.db2.gz GUUTYHBXBBXJKM-UHFFFAOYSA-N 2 1 306.410 1.460 20 30 DDEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CCC=C)CC1 ZINC001324407269 867262542 /nfs/dbraw/zinc/26/25/42/867262542.db2.gz IBDOZTNLOGFZCA-UHFFFAOYSA-N 2 1 314.433 1.694 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](CC#C)CC1 ZINC001324413365 867266803 /nfs/dbraw/zinc/26/68/03/867266803.db2.gz LVKXLJJRUZACTD-IRXDYDNUSA-N 2 1 315.461 1.276 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001324660760 867435547 /nfs/dbraw/zinc/43/55/47/867435547.db2.gz JUUOBUDPIOBDOW-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001324923286 867630418 /nfs/dbraw/zinc/63/04/18/867630418.db2.gz XOHQLFUPALCFMA-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324923286 867630425 /nfs/dbraw/zinc/63/04/25/867630425.db2.gz XOHQLFUPALCFMA-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001324923286 867630430 /nfs/dbraw/zinc/63/04/30/867630430.db2.gz XOHQLFUPALCFMA-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001317028937 870137073 /nfs/dbraw/zinc/13/70/73/870137073.db2.gz NGRDBRXLRSHIHC-QAPCUYQASA-N 2 1 323.456 1.707 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317157625 870381442 /nfs/dbraw/zinc/38/14/42/870381442.db2.gz KRTZWOLJUDHEJB-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203797803 870765417 /nfs/dbraw/zinc/76/54/17/870765417.db2.gz IZDPGOAOQCEPKP-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203797803 870765432 /nfs/dbraw/zinc/76/54/32/870765432.db2.gz IZDPGOAOQCEPKP-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001317601615 871177761 /nfs/dbraw/zinc/17/77/61/871177761.db2.gz ZRNBHNYVXQVUQL-GFCCVEGCSA-N 2 1 318.259 1.427 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001318341801 871946637 /nfs/dbraw/zinc/94/66/37/871946637.db2.gz ISEDFKKQWXKOCN-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001318341801 871946618 /nfs/dbraw/zinc/94/66/18/871946618.db2.gz ISEDFKKQWXKOCN-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001318341801 871946629 /nfs/dbraw/zinc/94/66/29/871946629.db2.gz ISEDFKKQWXKOCN-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281566 872183630 /nfs/dbraw/zinc/18/36/30/872183630.db2.gz MGJOCUMCWPFQHC-WFASDCNBSA-N 2 1 313.873 1.765 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001206603961 872469429 /nfs/dbraw/zinc/46/94/29/872469429.db2.gz YFJZRWLVSDUOQE-UHFFFAOYSA-N 2 1 323.481 1.503 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319280973 872533301 /nfs/dbraw/zinc/53/33/01/872533301.db2.gz BBNMYVKHKRATHG-MRXNPFEDSA-N 2 1 324.428 1.585 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001208279244 873954676 /nfs/dbraw/zinc/95/46/76/873954676.db2.gz LIFWCIFUPKBUFW-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208335699 874026689 /nfs/dbraw/zinc/02/66/89/874026689.db2.gz YYPJCIXNQIRYLN-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)C1 ZINC001347317082 874098000 /nfs/dbraw/zinc/09/80/00/874098000.db2.gz NWEYSNOMPZDELZ-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)C1 ZINC001347317082 874098016 /nfs/dbraw/zinc/09/80/16/874098016.db2.gz NWEYSNOMPZDELZ-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)C1 ZINC001347317082 874098032 /nfs/dbraw/zinc/09/80/32/874098032.db2.gz NWEYSNOMPZDELZ-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)C1 ZINC001347317082 874098048 /nfs/dbraw/zinc/09/80/48/874098048.db2.gz NWEYSNOMPZDELZ-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001378611454 875226843 /nfs/dbraw/zinc/22/68/43/875226843.db2.gz WPIQGLKHLXWQQS-BXUZGUMPSA-N 2 1 324.856 1.848 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868071 876086374 /nfs/dbraw/zinc/08/63/74/876086374.db2.gz KPJQVPPFCAFNSV-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C(C)C)no1 ZINC000304759140 876577730 /nfs/dbraw/zinc/57/77/30/876577730.db2.gz QUYLJBHJOZIBMA-LBPRGKRZSA-N 2 1 308.430 1.124 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216845052 877076545 /nfs/dbraw/zinc/07/65/45/877076545.db2.gz VPRGGUPJKSHDDO-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379553364 877379630 /nfs/dbraw/zinc/37/96/30/877379630.db2.gz QCPBHXZTZUGZBB-CABCVRRESA-N 2 1 314.433 1.494 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001379600529 877484265 /nfs/dbraw/zinc/48/42/65/877484265.db2.gz XVOGZODPMBCMTC-LBPRGKRZSA-N 2 1 308.451 1.556 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001357346478 879927395 /nfs/dbraw/zinc/92/73/95/879927395.db2.gz KOFRXAMCDTZMTM-ZNMIVQPWSA-N 2 1 311.470 1.674 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001357346478 879927403 /nfs/dbraw/zinc/92/74/03/879927403.db2.gz KOFRXAMCDTZMTM-ZNMIVQPWSA-N 2 1 311.470 1.674 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442852 880468993 /nfs/dbraw/zinc/46/89/93/880468993.db2.gz OPVARZFNUHNEPZ-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442852 880468997 /nfs/dbraw/zinc/46/89/97/880468997.db2.gz OPVARZFNUHNEPZ-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442852 880469003 /nfs/dbraw/zinc/46/90/03/880469003.db2.gz OPVARZFNUHNEPZ-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001276933077 881157035 /nfs/dbraw/zinc/15/70/35/881157035.db2.gz VIWFXVQJZHXARY-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001276933077 881157059 /nfs/dbraw/zinc/15/70/59/881157059.db2.gz VIWFXVQJZHXARY-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001276933077 881157067 /nfs/dbraw/zinc/15/70/67/881157067.db2.gz VIWFXVQJZHXARY-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001276933077 881157083 /nfs/dbraw/zinc/15/70/83/881157083.db2.gz VIWFXVQJZHXARY-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001230137994 884344484 /nfs/dbraw/zinc/34/44/84/884344484.db2.gz AZXDCXYSRYKGJD-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001230284728 884409466 /nfs/dbraw/zinc/40/94/66/884409466.db2.gz SDIVNNANUGYBDR-BRWVUGGUSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001277884114 888192935 /nfs/dbraw/zinc/19/29/35/888192935.db2.gz XBSLNROLUBBYIR-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@H]2C1 ZINC001235609388 888798788 /nfs/dbraw/zinc/79/87/88/888798788.db2.gz KQNOWNUZXXPRPH-WMZOPIPTSA-N 2 1 301.434 1.600 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC#C)C1CCCC1 ZINC001278249738 890272909 /nfs/dbraw/zinc/27/29/09/890272909.db2.gz GKADLFHCFDKPNL-ROUUACIJSA-N 2 1 315.461 1.372 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC#C)C1CCCC1 ZINC001278249738 890272918 /nfs/dbraw/zinc/27/29/18/890272918.db2.gz GKADLFHCFDKPNL-ROUUACIJSA-N 2 1 315.461 1.372 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001278336761 891279832 /nfs/dbraw/zinc/27/98/32/891279832.db2.gz UOQXKTGSVYTIBR-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP C=C[C@H](O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246010594 892326465 /nfs/dbraw/zinc/32/64/65/892326465.db2.gz BNDYPFUBKRVXRS-JKSUJKDBSA-N 2 1 306.406 1.364 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@H]12 ZINC001278451139 892655893 /nfs/dbraw/zinc/65/58/93/892655893.db2.gz HGVBGSGPMKZANX-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278451139 892655903 /nfs/dbraw/zinc/65/59/03/892655903.db2.gz HGVBGSGPMKZANX-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001278451139 892655913 /nfs/dbraw/zinc/65/59/13/892655913.db2.gz HGVBGSGPMKZANX-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278572380 894298282 /nfs/dbraw/zinc/29/82/82/894298282.db2.gz QIHYSOFZPMOKHK-KGLIPLIRSA-N 2 1 318.421 1.248 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001252551910 895267704 /nfs/dbraw/zinc/26/77/04/895267704.db2.gz YRHQWMWOXYIYBI-SFHVURJKSA-N 2 1 324.465 1.663 20 30 DDEDMP C=CC[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252928623 895555787 /nfs/dbraw/zinc/55/57/87/895555787.db2.gz PSWZHTMBLGVHIQ-LJQANCHMSA-N 2 1 315.461 1.427 20 30 DDEDMP C=CC[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252928623 895555801 /nfs/dbraw/zinc/55/58/01/895555801.db2.gz PSWZHTMBLGVHIQ-LJQANCHMSA-N 2 1 315.461 1.427 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001367748587 897661594 /nfs/dbraw/zinc/66/15/94/897661594.db2.gz GDLCEBJVHVAIAU-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367748587 897661600 /nfs/dbraw/zinc/66/16/00/897661600.db2.gz GDLCEBJVHVAIAU-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001369316507 901048639 /nfs/dbraw/zinc/04/86/39/901048639.db2.gz WBZKHHNVIDQJOF-HNNXBMFYSA-N 2 1 316.449 1.835 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265615974 902206858 /nfs/dbraw/zinc/20/68/58/902206858.db2.gz SDTAZJRAOXAOKV-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001265981360 902700799 /nfs/dbraw/zinc/70/07/99/902700799.db2.gz PQZNFGOTPHTIDG-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CCC[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001265981360 902700809 /nfs/dbraw/zinc/70/08/09/902700809.db2.gz PQZNFGOTPHTIDG-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC/C=C\CC)C1 ZINC001265987121 902714214 /nfs/dbraw/zinc/71/42/14/902714214.db2.gz UFUGHKBDXHBNHF-SLXDBMQSSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC/C=C\CC)C1 ZINC001265987121 902714226 /nfs/dbraw/zinc/71/42/26/902714226.db2.gz UFUGHKBDXHBNHF-SLXDBMQSSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266103857 902951606 /nfs/dbraw/zinc/95/16/06/902951606.db2.gz ZBYDMAZBVLNQKK-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392550582 904436297 /nfs/dbraw/zinc/43/62/97/904436297.db2.gz RLAKPOCGXPAHLN-SMDDNHRTSA-N 2 1 306.435 1.308 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001371268300 904609006 /nfs/dbraw/zinc/60/90/06/904609006.db2.gz PYPNLRNGTGDOQU-UONOGXRCSA-N 2 1 301.862 1.954 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001371268287 904609352 /nfs/dbraw/zinc/60/93/52/904609352.db2.gz PYPNLRNGTGDOQU-KGLIPLIRSA-N 2 1 301.862 1.954 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001371476954 905064321 /nfs/dbraw/zinc/06/43/21/905064321.db2.gz XANAYKYJCNLXFR-WFASDCNBSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CCC[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001282011014 905405157 /nfs/dbraw/zinc/40/51/57/905405157.db2.gz VJJSHLMUBNWUDW-FHERZECASA-N 2 1 316.449 1.904 20 30 DDEDMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001283230843 906949243 /nfs/dbraw/zinc/94/92/43/906949243.db2.gz WFYZSVJPVDHWQH-HOCLYGCPSA-N 2 1 316.449 1.652 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001284029261 908341614 /nfs/dbraw/zinc/34/16/14/908341614.db2.gz DICVBHLGTOGFNH-DOTOQJQBSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001284029261 908341630 /nfs/dbraw/zinc/34/16/30/908341630.db2.gz DICVBHLGTOGFNH-DOTOQJQBSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316636636 909925810 /nfs/dbraw/zinc/92/58/10/909925810.db2.gz PQHDFCDQXWNAHI-JYJNAYRXSA-N 2 1 316.449 1.814 20 30 DDEDMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001376802818 919432452 /nfs/dbraw/zinc/43/24/52/919432452.db2.gz QCWCWVHEERXTJI-HUUCEWRRSA-N 2 1 314.433 1.494 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)cc(OC)c1 ZINC000093887349 353907255 /nfs/dbraw/zinc/90/72/55/353907255.db2.gz RTHJJRXXSIKTMY-AWEZNQCLSA-N 2 1 308.401 1.723 20 30 DDEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436994 356213274 /nfs/dbraw/zinc/21/32/74/356213274.db2.gz HIKASUDWHGWQOQ-FZKCQIBNSA-N 2 1 308.470 1.880 20 30 DDEDMP N#Cc1cnn2cc(CNC[C@@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000597254411 357110811 /nfs/dbraw/zinc/11/08/11/357110811.db2.gz CMZIJDZKNQWLMX-HNNXBMFYSA-N 2 1 324.432 1.813 20 30 DDEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cnc12 ZINC000597254411 357110816 /nfs/dbraw/zinc/11/08/16/357110816.db2.gz CMZIJDZKNQWLMX-HNNXBMFYSA-N 2 1 324.432 1.813 20 30 DDEDMP N#Cc1cnn2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000597254411 357110819 /nfs/dbraw/zinc/11/08/19/357110819.db2.gz CMZIJDZKNQWLMX-HNNXBMFYSA-N 2 1 324.432 1.813 20 30 DDEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000599313699 357889334 /nfs/dbraw/zinc/88/93/34/357889334.db2.gz FOUGXQVCAGEHAL-YESZJQIVSA-N 2 1 323.481 1.862 20 30 DDEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000599313699 357889336 /nfs/dbraw/zinc/88/93/36/357889336.db2.gz FOUGXQVCAGEHAL-YESZJQIVSA-N 2 1 323.481 1.862 20 30 DDEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000599313699 357889337 /nfs/dbraw/zinc/88/93/37/357889337.db2.gz FOUGXQVCAGEHAL-YESZJQIVSA-N 2 1 323.481 1.862 20 30 DDEDMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599344917 357902941 /nfs/dbraw/zinc/90/29/41/357902941.db2.gz KMSGGYZAGVKELG-MRXNPFEDSA-N 2 1 321.465 1.618 20 30 DDEDMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599344917 357902945 /nfs/dbraw/zinc/90/29/45/357902945.db2.gz KMSGGYZAGVKELG-MRXNPFEDSA-N 2 1 321.465 1.618 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600720923 358294937 /nfs/dbraw/zinc/29/49/37/358294937.db2.gz IYPURCORCILPBF-MRXNPFEDSA-N 2 1 307.438 1.298 20 30 DDEDMP N#Cc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)o1 ZINC000600769839 358311420 /nfs/dbraw/zinc/31/14/20/358311420.db2.gz SNPHHFCHINMLPX-GFCCVEGCSA-N 2 1 302.300 1.077 20 30 DDEDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOCCC#N)CC1 ZINC000338946253 223264543 /nfs/dbraw/zinc/26/45/43/223264543.db2.gz WJARLUBKPLKGAK-IAGOWNOFSA-N 2 1 308.470 1.407 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(COC)c1 ZINC000104166292 221497429 /nfs/dbraw/zinc/49/74/29/221497429.db2.gz YKEOJPDQSKFQTM-MRXNPFEDSA-N 2 1 304.438 1.722 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003883 407163314 /nfs/dbraw/zinc/16/33/14/407163314.db2.gz UFJRNYRNDQYGAZ-HUUCEWRRSA-N 2 1 317.437 1.435 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003883 407163316 /nfs/dbraw/zinc/16/33/16/407163316.db2.gz UFJRNYRNDQYGAZ-HUUCEWRRSA-N 2 1 317.437 1.435 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])N(C)C)cc2)C[C@H](C)O1 ZINC000170911278 407549918 /nfs/dbraw/zinc/54/99/18/407549918.db2.gz TZGINHJMBBAXDA-OKILXGFUSA-N 2 1 304.438 1.672 20 30 DDEDMP C[NH+]=C(NCc1ccoc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179088347 407718610 /nfs/dbraw/zinc/71/86/10/407718610.db2.gz IZXUUDRRLHUKIN-HNNXBMFYSA-N 2 1 306.410 1.009 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CC3)CC2)CC1 ZINC000171738595 407755550 /nfs/dbraw/zinc/75/55/50/407755550.db2.gz TWHXAGAILMUDPL-UHFFFAOYSA-N 2 1 306.454 1.517 20 30 DDEDMP CC(C)(C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272897151 408015028 /nfs/dbraw/zinc/01/50/28/408015028.db2.gz JLPMVJNSMGOUTR-OAHLLOKOSA-N 2 1 304.438 1.456 20 30 DDEDMP C[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000156965889 408282289 /nfs/dbraw/zinc/28/22/89/408282289.db2.gz JSPMFJVRJXWNFW-CYBMUJFWSA-N 2 1 305.426 1.441 20 30 DDEDMP CCNC(NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)=[NH+]CC ZINC000161547929 408615305 /nfs/dbraw/zinc/61/53/05/408615305.db2.gz AEEFUCHIMMDSIW-HNNXBMFYSA-N 2 1 318.465 1.982 20 30 DDEDMP CCNC(NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)=[NH+]CC ZINC000161547929 408615310 /nfs/dbraw/zinc/61/53/10/408615310.db2.gz AEEFUCHIMMDSIW-HNNXBMFYSA-N 2 1 318.465 1.982 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000177785193 408710696 /nfs/dbraw/zinc/71/06/96/408710696.db2.gz ONSDIQFTPPIRMB-HIFRSBDPSA-N 2 1 306.454 1.561 20 30 DDEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ncccc2C#N)CC1 ZINC000162866124 408740586 /nfs/dbraw/zinc/74/05/86/408740586.db2.gz VFUNMQUZYXVJCB-KRWDZBQOSA-N 2 1 313.449 1.950 20 30 DDEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ncccc2C#N)CC1 ZINC000162866124 408740591 /nfs/dbraw/zinc/74/05/91/408740591.db2.gz VFUNMQUZYXVJCB-KRWDZBQOSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000162866124 408740595 /nfs/dbraw/zinc/74/05/95/408740595.db2.gz VFUNMQUZYXVJCB-KRWDZBQOSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000162866124 408740600 /nfs/dbraw/zinc/74/06/00/408740600.db2.gz VFUNMQUZYXVJCB-KRWDZBQOSA-N 2 1 313.449 1.950 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000342179932 409564089 /nfs/dbraw/zinc/56/40/89/409564089.db2.gz YIYHVWMQXQLNFK-USTZCAOPSA-N 2 1 308.466 1.988 20 30 DDEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000342179932 409564097 /nfs/dbraw/zinc/56/40/97/409564097.db2.gz YIYHVWMQXQLNFK-USTZCAOPSA-N 2 1 308.466 1.988 20 30 DDEDMP CO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000342179932 409564103 /nfs/dbraw/zinc/56/41/03/409564103.db2.gz YIYHVWMQXQLNFK-USTZCAOPSA-N 2 1 308.466 1.988 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000317428696 409866920 /nfs/dbraw/zinc/86/69/20/409866920.db2.gz PETFGBVMASSSPR-FVQBIDKESA-N 2 1 303.406 1.370 20 30 DDEDMP Cn1ccnc1N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000328748416 409967963 /nfs/dbraw/zinc/96/79/63/409967963.db2.gz MAXFLLWYHKSSGG-HNNXBMFYSA-N 2 1 317.437 1.972 20 30 DDEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000328748416 409967972 /nfs/dbraw/zinc/96/79/72/409967972.db2.gz MAXFLLWYHKSSGG-HNNXBMFYSA-N 2 1 317.437 1.972 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000328157939 409928404 /nfs/dbraw/zinc/92/84/04/409928404.db2.gz HGMJYSNRNCJUCL-QGZVFWFLSA-N 2 1 304.434 1.588 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000328157939 409928411 /nfs/dbraw/zinc/92/84/11/409928411.db2.gz HGMJYSNRNCJUCL-QGZVFWFLSA-N 2 1 304.434 1.588 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000343831410 410735181 /nfs/dbraw/zinc/73/51/81/410735181.db2.gz XHPSJXRWEDYLLR-QGZVFWFLSA-N 2 1 312.417 1.202 20 30 DDEDMP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(C#N)cc1Cl ZINC000580181376 422897813 /nfs/dbraw/zinc/89/78/13/422897813.db2.gz MUFVJGUWFPKGRL-NSHDSACASA-N 2 1 306.797 1.294 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000247983963 222233796 /nfs/dbraw/zinc/23/37/96/222233796.db2.gz IRCUVJLNHXCEMH-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCCS1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262004104 222269753 /nfs/dbraw/zinc/26/97/53/222269753.db2.gz VCROKPOQHQPSCK-GXTWGEPZSA-N 2 1 316.540 1.484 20 30 DDEDMP Cc1[nH+]ccn1CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262002073 222269897 /nfs/dbraw/zinc/26/98/97/222269897.db2.gz QBPWJXQJHOYHAK-UHFFFAOYSA-N 2 1 315.377 1.780 20 30 DDEDMP COc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+]2CCCC2)cc1 ZINC000262681942 222289632 /nfs/dbraw/zinc/28/96/32/222289632.db2.gz WOSAYSMFWOSSRO-INIZCTEOSA-N 2 1 302.422 1.723 20 30 DDEDMP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000262677797 222290314 /nfs/dbraw/zinc/29/03/14/222290314.db2.gz UPLIKGHZNXOTAT-SWLSCSKDSA-N 2 1 304.442 1.212 20 30 DDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262765955 222292131 /nfs/dbraw/zinc/29/21/31/222292131.db2.gz GCDZZWJEWFMECO-AWEZNQCLSA-N 2 1 318.469 1.329 20 30 DDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262765955 222292133 /nfs/dbraw/zinc/29/21/33/222292133.db2.gz GCDZZWJEWFMECO-AWEZNQCLSA-N 2 1 318.469 1.329 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCc2ccccc21 ZINC000262805008 222296203 /nfs/dbraw/zinc/29/62/03/222296203.db2.gz SJXOPBYPYSXWEY-QAPCUYQASA-N 2 1 316.449 1.209 20 30 DDEDMP [NH2+]=C(NCCCNc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000264096781 222316728 /nfs/dbraw/zinc/31/67/28/222316728.db2.gz MWGLTKZMWVPBLZ-UHFFFAOYSA-N 2 1 319.453 1.115 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(F)cc(F)c1 ZINC000264119648 222320440 /nfs/dbraw/zinc/32/04/40/222320440.db2.gz UNKVKMWZJKOJSC-OAHLLOKOSA-N 2 1 310.392 1.896 20 30 DDEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C[NH+]1CCOCC1 ZINC000267419112 222383740 /nfs/dbraw/zinc/38/37/40/222383740.db2.gz JZRVBYWIUHSOGI-AWEZNQCLSA-N 2 1 316.449 1.870 20 30 DDEDMP C=CCC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000368570547 418722221 /nfs/dbraw/zinc/72/22/21/418722221.db2.gz WCVSZTUFLLFKQT-QZTJIDSGSA-N 2 1 307.482 1.727 20 30 DDEDMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000387454143 418743876 /nfs/dbraw/zinc/74/38/76/418743876.db2.gz VLBWRTZTFXBMRH-MRXNPFEDSA-N 2 1 303.406 1.372 20 30 DDEDMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000408157456 418790129 /nfs/dbraw/zinc/79/01/29/418790129.db2.gz CPEFGUGEABKSRT-UHFFFAOYSA-N 2 1 306.454 1.601 20 30 DDEDMP C=CC[N@H+](C)CCN(CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000411641913 419368049 /nfs/dbraw/zinc/36/80/49/419368049.db2.gz MLYXGQWSDKXOHS-UHFFFAOYSA-N 2 1 322.497 1.169 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425682367 420433259 /nfs/dbraw/zinc/43/32/59/420433259.db2.gz LMURACROGSVJCJ-GOEBONIOSA-N 2 1 306.454 1.372 20 30 DDEDMP C[NH+]1CCC(CNc2ncncc2C#N)(N2CCCCC2)CC1 ZINC000563619276 421529378 /nfs/dbraw/zinc/52/93/78/421529378.db2.gz DVRUDKVPQZZLKW-UHFFFAOYSA-N 2 1 314.437 1.132 20 30 DDEDMP C=CC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000637265947 422107475 /nfs/dbraw/zinc/10/74/75/422107475.db2.gz SYDSENFHCAVYNM-JKSUJKDBSA-N 2 1 310.486 1.866 20 30 DDEDMP C=CC[C@@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000637265947 422107481 /nfs/dbraw/zinc/10/74/81/422107481.db2.gz SYDSENFHCAVYNM-JKSUJKDBSA-N 2 1 310.486 1.866 20 30 DDEDMP C[C@H]1C[N@@H+](CCCSCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360691926 300256401 /nfs/dbraw/zinc/25/64/01/300256401.db2.gz NQVJVAHDHNHJEY-HOTGVXAUSA-N 2 1 310.511 1.591 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000491821152 526806271 /nfs/dbraw/zinc/80/62/71/526806271.db2.gz ZSRVJLGALNPXNS-UHFFFAOYSA-N 2 1 322.497 1.703 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000491821152 526806276 /nfs/dbraw/zinc/80/62/76/526806276.db2.gz ZSRVJLGALNPXNS-UHFFFAOYSA-N 2 1 322.497 1.703 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000491821152 526806280 /nfs/dbraw/zinc/80/62/80/526806280.db2.gz ZSRVJLGALNPXNS-UHFFFAOYSA-N 2 1 322.497 1.703 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000491337572 526926860 /nfs/dbraw/zinc/92/68/60/526926860.db2.gz BDYORADWSGRQFH-QGZVFWFLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980219010 696710963 /nfs/dbraw/zinc/71/09/63/696710963.db2.gz WRKCTKIRGVRHDA-ULQDDVLXSA-N 2 1 317.477 1.875 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000972340971 695221386 /nfs/dbraw/zinc/22/13/86/695221386.db2.gz XMPSYTDROPFEGS-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974760205 695728764 /nfs/dbraw/zinc/72/87/64/695728764.db2.gz OYMIYVXTIPMDOT-HZPDHXFCSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974760205 695728765 /nfs/dbraw/zinc/72/87/65/695728765.db2.gz OYMIYVXTIPMDOT-HZPDHXFCSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974760205 695728766 /nfs/dbraw/zinc/72/87/66/695728766.db2.gz OYMIYVXTIPMDOT-HZPDHXFCSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974760205 695728767 /nfs/dbraw/zinc/72/87/67/695728767.db2.gz OYMIYVXTIPMDOT-HZPDHXFCSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000746648263 700034858 /nfs/dbraw/zinc/03/48/58/700034858.db2.gz LYYWMPJYVYOOIU-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000746648263 700034860 /nfs/dbraw/zinc/03/48/60/700034860.db2.gz LYYWMPJYVYOOIU-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000747403931 700068221 /nfs/dbraw/zinc/06/82/21/700068221.db2.gz BIYBFVBFFDQPII-UHFFFAOYSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977658754 696246904 /nfs/dbraw/zinc/24/69/04/696246904.db2.gz VDWCQZFZPLAJNO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658754 696246905 /nfs/dbraw/zinc/24/69/05/696246905.db2.gz VDWCQZFZPLAJNO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658754 696246907 /nfs/dbraw/zinc/24/69/07/696246907.db2.gz VDWCQZFZPLAJNO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978278632 696356841 /nfs/dbraw/zinc/35/68/41/696356841.db2.gz VICYAQZKJZWDDB-LVQVYYBASA-N 2 1 314.433 1.631 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978278632 696356842 /nfs/dbraw/zinc/35/68/42/696356842.db2.gz VICYAQZKJZWDDB-LVQVYYBASA-N 2 1 314.433 1.631 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC000978479888 696389480 /nfs/dbraw/zinc/38/94/80/696389480.db2.gz HLXZTKWKZRUUIT-PHZGNYQRSA-N 2 1 323.400 1.361 20 30 DDEDMP C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083094208 696550615 /nfs/dbraw/zinc/55/06/15/696550615.db2.gz IQJIXJCCGJZQSL-CQSZACIVSA-N 2 1 315.421 1.027 20 30 DDEDMP C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083094208 696550618 /nfs/dbraw/zinc/55/06/18/696550618.db2.gz IQJIXJCCGJZQSL-CQSZACIVSA-N 2 1 315.421 1.027 20 30 DDEDMP CCc1ccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)cc1 ZINC000104175077 696619410 /nfs/dbraw/zinc/61/94/10/696619410.db2.gz XPFPMARFDNTQEU-UHFFFAOYSA-N 2 1 303.454 1.613 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC000980145319 696692026 /nfs/dbraw/zinc/69/20/26/696692026.db2.gz PNJUFOAOECPELT-UAGQMJEPSA-N 2 1 322.412 1.798 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981805828 696923590 /nfs/dbraw/zinc/92/35/90/696923590.db2.gz JIZAOZZYTZJYFY-KRWDZBQOSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805828 696923592 /nfs/dbraw/zinc/92/35/92/696923592.db2.gz JIZAOZZYTZJYFY-KRWDZBQOSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805828 696923595 /nfs/dbraw/zinc/92/35/95/696923595.db2.gz JIZAOZZYTZJYFY-KRWDZBQOSA-N 2 1 305.466 1.666 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000981209970 697034974 /nfs/dbraw/zinc/03/49/74/697034974.db2.gz MZZNMLCBVSXFMM-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209970 697034975 /nfs/dbraw/zinc/03/49/75/697034975.db2.gz MZZNMLCBVSXFMM-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000981209970 697034977 /nfs/dbraw/zinc/03/49/77/697034977.db2.gz MZZNMLCBVSXFMM-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982157473 697044623 /nfs/dbraw/zinc/04/46/23/697044623.db2.gz SQQWSKMGHZMYIS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982157473 697044626 /nfs/dbraw/zinc/04/46/26/697044626.db2.gz SQQWSKMGHZMYIS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157473 697044629 /nfs/dbraw/zinc/04/46/29/697044629.db2.gz SQQWSKMGHZMYIS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157473 697044633 /nfs/dbraw/zinc/04/46/33/697044633.db2.gz SQQWSKMGHZMYIS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000749239098 700152894 /nfs/dbraw/zinc/15/28/94/700152894.db2.gz CGZQFYQUMYHUCA-GOSISDBHSA-N 2 1 317.477 1.997 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCSCC1 ZINC000195291333 697737605 /nfs/dbraw/zinc/73/76/05/697737605.db2.gz DQWIVABYNXNBIC-INIZCTEOSA-N 2 1 318.490 1.872 20 30 DDEDMP COCCN(CCC#N)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775677880 698021671 /nfs/dbraw/zinc/02/16/71/698021671.db2.gz VKFZALNTBIWAIE-UHFFFAOYSA-N 2 1 316.449 1.800 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000303905447 698611096 /nfs/dbraw/zinc/61/10/96/698611096.db2.gz ZKWRQWYVHKJVIW-INIZCTEOSA-N 2 1 306.454 1.929 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989443164 698622982 /nfs/dbraw/zinc/62/29/82/698622982.db2.gz YOPPMZDODWELRU-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989443164 698622985 /nfs/dbraw/zinc/62/29/85/698622985.db2.gz YOPPMZDODWELRU-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP CCOC(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)o1 ZINC000304775044 698625078 /nfs/dbraw/zinc/62/50/78/698625078.db2.gz GPNFHORPPXFBFY-LBPRGKRZSA-N 2 1 322.409 1.345 20 30 DDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305065091 698630183 /nfs/dbraw/zinc/63/01/83/698630183.db2.gz MOVZMCPKDITUPZ-UHFFFAOYSA-N 2 1 309.502 1.595 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCC)CC2)CC1 ZINC000989735104 698745233 /nfs/dbraw/zinc/74/52/33/698745233.db2.gz SVWOADUVKVQFGS-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000791128235 699612091 /nfs/dbraw/zinc/61/20/91/699612091.db2.gz WSRZQIJBODOCQT-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000791128235 699612092 /nfs/dbraw/zinc/61/20/92/699612092.db2.gz WSRZQIJBODOCQT-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000764327806 700967306 /nfs/dbraw/zinc/96/73/06/700967306.db2.gz YOBVPUPRRXEBDJ-OAHLLOKOSA-N 2 1 309.479 1.028 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000876723098 705839765 /nfs/dbraw/zinc/83/97/65/705839765.db2.gz NEAOUTQRBISQPL-HNNXBMFYSA-N 2 1 307.825 1.631 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000876723098 705839769 /nfs/dbraw/zinc/83/97/69/705839769.db2.gz NEAOUTQRBISQPL-HNNXBMFYSA-N 2 1 307.825 1.631 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000876782557 705875265 /nfs/dbraw/zinc/87/52/65/705875265.db2.gz QQXCOOCCPOUVLV-MRAWALMUSA-N 2 1 324.428 1.486 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000876782557 705875267 /nfs/dbraw/zinc/87/52/67/705875267.db2.gz QQXCOOCCPOUVLV-MRAWALMUSA-N 2 1 324.428 1.486 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000863553250 705956029 /nfs/dbraw/zinc/95/60/29/705956029.db2.gz XXRVXEMSVXWMID-JKSUJKDBSA-N 2 1 307.438 1.274 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000836236980 707423088 /nfs/dbraw/zinc/42/30/88/707423088.db2.gz YEUGVKNIPYCLQN-IAGOWNOFSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000884074800 708127628 /nfs/dbraw/zinc/12/76/28/708127628.db2.gz BSHOIDUMWKDROG-INIZCTEOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000884074800 708127631 /nfs/dbraw/zinc/12/76/31/708127631.db2.gz BSHOIDUMWKDROG-INIZCTEOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000884196778 708183317 /nfs/dbraw/zinc/18/33/17/708183317.db2.gz AVPUFHYDCNDZGN-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000884196778 708183320 /nfs/dbraw/zinc/18/33/20/708183320.db2.gz AVPUFHYDCNDZGN-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884204350 708188718 /nfs/dbraw/zinc/18/87/18/708188718.db2.gz TZPKBKGRHPVMKD-UERKLNTKSA-N 2 1 318.465 1.362 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000884376099 708269339 /nfs/dbraw/zinc/26/93/39/708269339.db2.gz WYRAFFSNEWHLNH-QGZVFWFLSA-N 2 1 320.481 1.649 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000884376099 708269340 /nfs/dbraw/zinc/26/93/40/708269340.db2.gz WYRAFFSNEWHLNH-QGZVFWFLSA-N 2 1 320.481 1.649 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CC1(C#N)CCC1 ZINC000886091840 708696381 /nfs/dbraw/zinc/69/63/81/708696381.db2.gz HRQKRYIAEWFKLR-MRXNPFEDSA-N 2 1 308.470 1.001 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000890375105 709845756 /nfs/dbraw/zinc/84/57/56/709845756.db2.gz RMIJMUJCTMZHAA-QGZVFWFLSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000890375105 709845765 /nfs/dbraw/zinc/84/57/65/709845765.db2.gz RMIJMUJCTMZHAA-QGZVFWFLSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000914074457 713338869 /nfs/dbraw/zinc/33/88/69/713338869.db2.gz FWSROUQMKXSJJT-HOTGVXAUSA-N 2 1 320.481 1.504 20 30 DDEDMP CNC(=S)N[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000915936558 713435824 /nfs/dbraw/zinc/43/58/24/713435824.db2.gz RZLBJGVUCCWMGS-UHFFFAOYSA-N 2 1 319.478 1.645 20 30 DDEDMP N#Cc1cncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000929283016 713582594 /nfs/dbraw/zinc/58/25/94/713582594.db2.gz FSVPEKUMEMFEHA-UHFFFAOYSA-N 2 1 300.406 1.497 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000931441808 714099428 /nfs/dbraw/zinc/09/94/28/714099428.db2.gz YMMXKJAHSBQBFG-SOLBZPMBSA-N 2 1 324.428 1.547 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000931441808 714099431 /nfs/dbraw/zinc/09/94/31/714099431.db2.gz YMMXKJAHSBQBFG-SOLBZPMBSA-N 2 1 324.428 1.547 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000931441808 714099434 /nfs/dbraw/zinc/09/94/34/714099434.db2.gz YMMXKJAHSBQBFG-SOLBZPMBSA-N 2 1 324.428 1.547 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000963946684 717953542 /nfs/dbraw/zinc/95/35/42/717953542.db2.gz JSPDOBRDJMNIIZ-LZZBAHKZSA-N 2 1 314.433 1.964 20 30 DDEDMP C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000923167448 714259540 /nfs/dbraw/zinc/25/95/40/714259540.db2.gz CWXKIURYJGMIKI-INIZCTEOSA-N 2 1 320.481 1.598 20 30 DDEDMP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC([NH3+])CC2)c(OC)c1 ZINC000923276725 714294210 /nfs/dbraw/zinc/29/42/10/714294210.db2.gz BBVAGYDCKXULFR-MRXNPFEDSA-N 2 1 320.433 1.587 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000926142630 715013502 /nfs/dbraw/zinc/01/35/02/715013502.db2.gz SQBZXFJDMURJIF-XLMAVXFVSA-N 2 1 323.481 1.090 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959917796 716354800 /nfs/dbraw/zinc/35/48/00/716354800.db2.gz CJFXRLFXDXGUPJ-BYNSBNAKSA-N 2 1 309.841 1.127 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000959917796 716354806 /nfs/dbraw/zinc/35/48/06/716354806.db2.gz CJFXRLFXDXGUPJ-BYNSBNAKSA-N 2 1 309.841 1.127 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960262947 716471993 /nfs/dbraw/zinc/47/19/93/716471993.db2.gz AIVQHYKUVTVLJA-CTASWTNQSA-N 2 1 300.406 1.383 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960262947 716471995 /nfs/dbraw/zinc/47/19/95/716471995.db2.gz AIVQHYKUVTVLJA-CTASWTNQSA-N 2 1 300.406 1.383 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960527567 716599154 /nfs/dbraw/zinc/59/91/54/716599154.db2.gz RUJFPVRWZWTGFV-ZSHCYNCHSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961179290 716851861 /nfs/dbraw/zinc/85/18/61/716851861.db2.gz DXNPWZZUKNNAQG-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961179290 716851866 /nfs/dbraw/zinc/85/18/66/716851866.db2.gz DXNPWZZUKNNAQG-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961179290 716851870 /nfs/dbraw/zinc/85/18/70/716851870.db2.gz DXNPWZZUKNNAQG-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281877 716894782 /nfs/dbraw/zinc/89/47/82/716894782.db2.gz IJKJQBUHLBQDEE-SJORKVTESA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288573 716896978 /nfs/dbraw/zinc/89/69/78/716896978.db2.gz XTWXAOLLHAUWTB-DLBZAZTESA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962139483 717320995 /nfs/dbraw/zinc/32/09/95/717320995.db2.gz GYTFOMBMYMREFD-VQFNDLOPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942057780 717455187 /nfs/dbraw/zinc/45/51/87/717455187.db2.gz PFBKRXJQTCFUEP-HUUCEWRRSA-N 2 1 319.453 1.071 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942209094 717550132 /nfs/dbraw/zinc/55/01/32/717550132.db2.gz UBDBMFOLRZOUTP-UKRRQHHQSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942209094 717550135 /nfs/dbraw/zinc/55/01/35/717550135.db2.gz UBDBMFOLRZOUTP-UKRRQHHQSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC000965314786 717616530 /nfs/dbraw/zinc/61/65/30/717616530.db2.gz XLPLFYMRAKBGNM-UHFFFAOYSA-N 2 1 314.433 1.657 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963391114 717773221 /nfs/dbraw/zinc/77/32/21/717773221.db2.gz QQEVSGHRXHXFNE-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCF)C[C@H]2C)CC1 ZINC000945176982 718414627 /nfs/dbraw/zinc/41/46/27/718414627.db2.gz AFQDDUKCXMZGDW-NVXWUHKLSA-N 2 1 323.456 1.518 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623560 718856429 /nfs/dbraw/zinc/85/64/29/718856429.db2.gz MJEHVRSDGLXZJZ-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779998 718906979 /nfs/dbraw/zinc/90/69/79/718906979.db2.gz XDLYDJRXCHLYIL-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779998 718906980 /nfs/dbraw/zinc/90/69/80/718906980.db2.gz XDLYDJRXCHLYIL-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779998 718906982 /nfs/dbraw/zinc/90/69/82/718906982.db2.gz XDLYDJRXCHLYIL-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947471325 719176375 /nfs/dbraw/zinc/17/63/75/719176375.db2.gz ARQINBHJUGJVTI-DZGCQCFKSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947662360 719238988 /nfs/dbraw/zinc/23/89/88/719238988.db2.gz HLSHHQFHRFCJNB-HOCLYGCPSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052315 719404252 /nfs/dbraw/zinc/40/42/52/719404252.db2.gz AHQHDCMPWOQBOY-HOCLYGCPSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052315 719404255 /nfs/dbraw/zinc/40/42/55/719404255.db2.gz AHQHDCMPWOQBOY-HOCLYGCPSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC=C)CC1 ZINC000948449459 719505282 /nfs/dbraw/zinc/50/52/82/719505282.db2.gz RESDOEOCVMGCPY-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC=C)CC1 ZINC000948449459 719505285 /nfs/dbraw/zinc/50/52/85/719505285.db2.gz RESDOEOCVMGCPY-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC=C)CC1 ZINC000948449459 719505290 /nfs/dbraw/zinc/50/52/90/719505290.db2.gz RESDOEOCVMGCPY-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC=C)CC1 ZINC000948449459 719505294 /nfs/dbraw/zinc/50/52/94/719505294.db2.gz RESDOEOCVMGCPY-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647162 719615984 /nfs/dbraw/zinc/61/59/84/719615984.db2.gz FCJHSNQCPBMQPZ-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948776065 719701096 /nfs/dbraw/zinc/70/10/96/719701096.db2.gz YNADNZLKMLTIIV-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948776065 719701099 /nfs/dbraw/zinc/70/10/99/719701099.db2.gz YNADNZLKMLTIIV-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000948776065 719701103 /nfs/dbraw/zinc/70/11/03/719701103.db2.gz YNADNZLKMLTIIV-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968913675 719863510 /nfs/dbraw/zinc/86/35/10/719863510.db2.gz JKTYCFRMEGKYHV-BRWVUGGUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968913675 719863519 /nfs/dbraw/zinc/86/35/19/719863519.db2.gz JKTYCFRMEGKYHV-BRWVUGGUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913675 719863528 /nfs/dbraw/zinc/86/35/28/719863528.db2.gz JKTYCFRMEGKYHV-BRWVUGGUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913675 719863534 /nfs/dbraw/zinc/86/35/34/719863534.db2.gz JKTYCFRMEGKYHV-BRWVUGGUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998189 719917545 /nfs/dbraw/zinc/91/75/45/719917545.db2.gz OIUZRXYAQDAWCT-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153567 719979182 /nfs/dbraw/zinc/97/91/82/719979182.db2.gz KAMSVRWEISGEQV-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153567 719979185 /nfs/dbraw/zinc/97/91/85/719979185.db2.gz KAMSVRWEISGEQV-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153567 719979188 /nfs/dbraw/zinc/97/91/88/719979188.db2.gz KAMSVRWEISGEQV-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153567 719979191 /nfs/dbraw/zinc/97/91/91/719979191.db2.gz KAMSVRWEISGEQV-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970654385 720871028 /nfs/dbraw/zinc/87/10/28/720871028.db2.gz JTEPRHOZSWVHHG-CQSZACIVSA-N 2 1 323.400 1.341 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703641 735404990 /nfs/dbraw/zinc/40/49/90/735404990.db2.gz PKFAQXUYIJOHSI-AWEZNQCLSA-N 2 1 311.857 1.663 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703641 735404993 /nfs/dbraw/zinc/40/49/93/735404993.db2.gz PKFAQXUYIJOHSI-AWEZNQCLSA-N 2 1 311.857 1.663 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023758392 735442922 /nfs/dbraw/zinc/44/29/22/735442922.db2.gz VPEQBUWHNWTDMR-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023758392 735442923 /nfs/dbraw/zinc/44/29/23/735442923.db2.gz VPEQBUWHNWTDMR-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023758392 735442924 /nfs/dbraw/zinc/44/29/24/735442924.db2.gz VPEQBUWHNWTDMR-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023758392 735442925 /nfs/dbraw/zinc/44/29/25/735442925.db2.gz VPEQBUWHNWTDMR-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577545 738425336 /nfs/dbraw/zinc/42/53/36/738425336.db2.gz NFJGFNZJXCHOGH-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577545 738425338 /nfs/dbraw/zinc/42/53/38/738425338.db2.gz NFJGFNZJXCHOGH-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635035 733389044 /nfs/dbraw/zinc/38/90/44/733389044.db2.gz HLMYRKBXQHBESZ-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635035 733389047 /nfs/dbraw/zinc/38/90/47/733389047.db2.gz HLMYRKBXQHBESZ-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666788 733422183 /nfs/dbraw/zinc/42/21/83/733422183.db2.gz XFFSZYZLMJEDJK-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929320 738824674 /nfs/dbraw/zinc/82/46/74/738824674.db2.gz DMRANRFXGKFODK-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929320 738824680 /nfs/dbraw/zinc/82/46/80/738824680.db2.gz DMRANRFXGKFODK-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929320 738824687 /nfs/dbraw/zinc/82/46/87/738824687.db2.gz DMRANRFXGKFODK-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929320 738824694 /nfs/dbraw/zinc/82/46/94/738824694.db2.gz DMRANRFXGKFODK-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368572 734773289 /nfs/dbraw/zinc/77/32/89/734773289.db2.gz GAWARPXDLXLSIT-DJIMGWMZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001098572457 734897026 /nfs/dbraw/zinc/89/70/26/734897026.db2.gz IWPQTFCGUUOSRA-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001098572457 734897028 /nfs/dbraw/zinc/89/70/28/734897028.db2.gz IWPQTFCGUUOSRA-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001098572457 734897034 /nfs/dbraw/zinc/89/70/34/734897034.db2.gz IWPQTFCGUUOSRA-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166201 734916526 /nfs/dbraw/zinc/91/65/26/734916526.db2.gz IVWNKSYUQJYCFW-FVQBIDKESA-N 2 1 320.437 1.362 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166201 734916528 /nfs/dbraw/zinc/91/65/28/734916528.db2.gz IVWNKSYUQJYCFW-FVQBIDKESA-N 2 1 320.437 1.362 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084640 735031331 /nfs/dbraw/zinc/03/13/31/735031331.db2.gz VOXZPACVSGAUIK-UTUOFQBUSA-N 2 1 316.243 1.084 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501383 735881017 /nfs/dbraw/zinc/88/10/17/735881017.db2.gz FJSVMJMCLQALDF-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501383 735881019 /nfs/dbraw/zinc/88/10/19/735881019.db2.gz FJSVMJMCLQALDF-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025268175 736399522 /nfs/dbraw/zinc/39/95/22/736399522.db2.gz WCQISKPSVIBJNF-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586387 736770643 /nfs/dbraw/zinc/77/06/43/736770643.db2.gz YERRYLHTBJMMCV-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025601024 736777765 /nfs/dbraw/zinc/77/77/65/736777765.db2.gz QMWKXNCCXQJTMB-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025599459 736779320 /nfs/dbraw/zinc/77/93/20/736779320.db2.gz GWXIHJAATFXZFO-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026100109 737118009 /nfs/dbraw/zinc/11/80/09/737118009.db2.gz WNMPGUBPHZWORU-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026100109 737118014 /nfs/dbraw/zinc/11/80/14/737118014.db2.gz WNMPGUBPHZWORU-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026100109 737118015 /nfs/dbraw/zinc/11/80/15/737118015.db2.gz WNMPGUBPHZWORU-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444081 738297982 /nfs/dbraw/zinc/29/79/82/738297982.db2.gz QFRVPNQQOSAOIB-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444081 738297987 /nfs/dbraw/zinc/29/79/87/738297987.db2.gz QFRVPNQQOSAOIB-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137080 739081299 /nfs/dbraw/zinc/08/12/99/739081299.db2.gz DEIHHLDPOTZCCH-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137080 739081303 /nfs/dbraw/zinc/08/13/03/739081303.db2.gz DEIHHLDPOTZCCH-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997949394 751415477 /nfs/dbraw/zinc/41/54/77/751415477.db2.gz MMPHQZHUMAIOQX-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997949394 751415478 /nfs/dbraw/zinc/41/54/78/751415478.db2.gz MMPHQZHUMAIOQX-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997949394 751415480 /nfs/dbraw/zinc/41/54/80/751415480.db2.gz MMPHQZHUMAIOQX-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755852 739996217 /nfs/dbraw/zinc/99/62/17/739996217.db2.gz UMZIUSPKFWQHIL-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755852 739996220 /nfs/dbraw/zinc/99/62/20/739996220.db2.gz UMZIUSPKFWQHIL-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755852 739996222 /nfs/dbraw/zinc/99/62/22/739996222.db2.gz UMZIUSPKFWQHIL-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755853 739996687 /nfs/dbraw/zinc/99/66/87/739996687.db2.gz UMZIUSPKFWQHIL-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755853 739996689 /nfs/dbraw/zinc/99/66/89/739996689.db2.gz UMZIUSPKFWQHIL-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755853 739996693 /nfs/dbraw/zinc/99/66/93/739996693.db2.gz UMZIUSPKFWQHIL-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870158 740125374 /nfs/dbraw/zinc/12/53/74/740125374.db2.gz LYWGIKYLHMNREY-KRWDZBQOSA-N 2 1 313.445 1.823 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001028901410 740157276 /nfs/dbraw/zinc/15/72/76/740157276.db2.gz BUZPWLHMKTYCGH-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001029004552 740250158 /nfs/dbraw/zinc/25/01/58/740250158.db2.gz YUKHQZPIXPDEST-QGZVFWFLSA-N 2 1 317.477 1.736 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809073 740603667 /nfs/dbraw/zinc/60/36/67/740603667.db2.gz RAOGBWWONZHXGN-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809073 740603672 /nfs/dbraw/zinc/60/36/72/740603672.db2.gz RAOGBWWONZHXGN-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075809073 740603674 /nfs/dbraw/zinc/60/36/74/740603674.db2.gz RAOGBWWONZHXGN-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746143 740731045 /nfs/dbraw/zinc/73/10/45/740731045.db2.gz IUSGGCGQMNDKED-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746143 740731047 /nfs/dbraw/zinc/73/10/47/740731047.db2.gz IUSGGCGQMNDKED-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001087989035 740931620 /nfs/dbraw/zinc/93/16/20/740931620.db2.gz MLXUDIJSCWBYMB-CABCVRRESA-N 2 1 302.422 1.699 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001087989035 740931622 /nfs/dbraw/zinc/93/16/22/740931622.db2.gz MLXUDIJSCWBYMB-CABCVRRESA-N 2 1 302.422 1.699 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088014126 740947225 /nfs/dbraw/zinc/94/72/25/740947225.db2.gz GZODPZFOVFHHLH-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107216 741035242 /nfs/dbraw/zinc/03/52/42/741035242.db2.gz MVRKSMOIDMDCNG-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107216 741035246 /nfs/dbraw/zinc/03/52/46/741035246.db2.gz MVRKSMOIDMDCNG-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107216 741035252 /nfs/dbraw/zinc/03/52/52/741035252.db2.gz MVRKSMOIDMDCNG-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)CC1 ZINC001029597345 741131574 /nfs/dbraw/zinc/13/15/74/741131574.db2.gz PTMHULHVNFWXMO-HDICACEKSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076086065 742528728 /nfs/dbraw/zinc/52/87/28/742528728.db2.gz NKFSUTDRFYWCDM-RCCFBDPRSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076323828 742666669 /nfs/dbraw/zinc/66/66/69/742666669.db2.gz HGUNNVWSNZEKLE-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182472985 743644783 /nfs/dbraw/zinc/64/47/83/743644783.db2.gz MURBLUZYOOQICD-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCN1CC(OC2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001105733542 743768597 /nfs/dbraw/zinc/76/85/97/743768597.db2.gz GJWKDHIEUOCOSV-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001105733542 743768599 /nfs/dbraw/zinc/76/85/99/743768599.db2.gz GJWKDHIEUOCOSV-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183464948 743843038 /nfs/dbraw/zinc/84/30/38/743843038.db2.gz IOZFCPGAYUHRBQ-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183464948 743843042 /nfs/dbraw/zinc/84/30/42/743843042.db2.gz IOZFCPGAYUHRBQ-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184575473 744063961 /nfs/dbraw/zinc/06/39/61/744063961.db2.gz DILLTLMVWATDGQ-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897521 744351833 /nfs/dbraw/zinc/35/18/33/744351833.db2.gz MKIOLMUBAAYDGV-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897521 744351837 /nfs/dbraw/zinc/35/18/37/744351837.db2.gz MKIOLMUBAAYDGV-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992145827 744633701 /nfs/dbraw/zinc/63/37/01/744633701.db2.gz RARNUURDZVPOMG-FUHWJXTLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(Cl)CN1CC[C@]2(NC(=O)CN3CCCC3)CCC[C@@H]12 ZINC000992488233 744914086 /nfs/dbraw/zinc/91/40/86/744914086.db2.gz NEOQLASQRBJWAP-GDBMZVCRSA-N 2 1 311.857 1.948 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001190482744 745222771 /nfs/dbraw/zinc/22/27/71/745222771.db2.gz JKODELPGQIIBKG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001190482744 745222775 /nfs/dbraw/zinc/22/27/75/745222775.db2.gz JKODELPGQIIBKG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001190482744 745222779 /nfs/dbraw/zinc/22/27/79/745222779.db2.gz JKODELPGQIIBKG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099199459 745388138 /nfs/dbraw/zinc/38/81/38/745388138.db2.gz MPYNERZSPIVJDY-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001191018521 745405450 /nfs/dbraw/zinc/40/54/50/745405450.db2.gz AJRSHMUPFHFKBX-GJZGRUSLSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001191018521 745405452 /nfs/dbraw/zinc/40/54/52/745405452.db2.gz AJRSHMUPFHFKBX-GJZGRUSLSA-N 2 1 316.449 1.932 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001192160855 745703627 /nfs/dbraw/zinc/70/36/27/745703627.db2.gz FQUNRHZREKNRJR-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001192160855 745703631 /nfs/dbraw/zinc/70/36/31/745703631.db2.gz FQUNRHZREKNRJR-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666308 745885798 /nfs/dbraw/zinc/88/57/98/745885798.db2.gz JYMAYHPNTSRTGH-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424061 746104101 /nfs/dbraw/zinc/10/41/01/746104101.db2.gz ITVDDBRHCBCNBN-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424061 746104103 /nfs/dbraw/zinc/10/41/03/746104103.db2.gz ITVDDBRHCBCNBN-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424061 746104106 /nfs/dbraw/zinc/10/41/06/746104106.db2.gz ITVDDBRHCBCNBN-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500173 746115882 /nfs/dbraw/zinc/11/58/82/746115882.db2.gz QRWIDQCDXXLDFJ-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001193609556 746147048 /nfs/dbraw/zinc/14/70/48/746147048.db2.gz CZOVCYGFKKWFPO-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193609556 746147050 /nfs/dbraw/zinc/14/70/50/746147050.db2.gz CZOVCYGFKKWFPO-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001193609556 746147052 /nfs/dbraw/zinc/14/70/52/746147052.db2.gz CZOVCYGFKKWFPO-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194245514 746318328 /nfs/dbraw/zinc/31/83/28/746318328.db2.gz BMBCMKWNHFXHSY-QGZVFWFLSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993992850 746413253 /nfs/dbraw/zinc/41/32/53/746413253.db2.gz XDNRGPODXPENQU-GDBMZVCRSA-N 2 1 319.453 1.213 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196123682 746785460 /nfs/dbraw/zinc/78/54/60/746785460.db2.gz TZPPAPKERMTAIT-BZUAXINKSA-N 2 1 311.470 1.234 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196275417 746823740 /nfs/dbraw/zinc/82/37/40/746823740.db2.gz AWKRHVKCVORPEQ-OWCLPIDISA-N 2 1 313.486 1.458 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011663 746904628 /nfs/dbraw/zinc/90/46/28/746904628.db2.gz PQFFFTRMVPXZEF-QGZVFWFLSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491784 747094343 /nfs/dbraw/zinc/09/43/43/747094343.db2.gz VCFLYDXETQZONL-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491784 747094350 /nfs/dbraw/zinc/09/43/50/747094350.db2.gz VCFLYDXETQZONL-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491784 747094357 /nfs/dbraw/zinc/09/43/57/747094357.db2.gz VCFLYDXETQZONL-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553550 747263079 /nfs/dbraw/zinc/26/30/79/747263079.db2.gz NPCHNZORRYEOPS-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553550 747263080 /nfs/dbraw/zinc/26/30/80/747263080.db2.gz NPCHNZORRYEOPS-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001077553550 747263084 /nfs/dbraw/zinc/26/30/84/747263084.db2.gz NPCHNZORRYEOPS-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313824 747348163 /nfs/dbraw/zinc/34/81/63/747348163.db2.gz UGXQKKNQWAMXIX-SFHVURJKSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673312 747361594 /nfs/dbraw/zinc/36/15/94/747361594.db2.gz DRUQYDSYMHMPJK-MRXNPFEDSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033075662 748206065 /nfs/dbraw/zinc/20/60/65/748206065.db2.gz IPCMWDCNKGKAST-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033075662 748206068 /nfs/dbraw/zinc/20/60/68/748206068.db2.gz IPCMWDCNKGKAST-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921922 748217300 /nfs/dbraw/zinc/21/73/00/748217300.db2.gz NAVWWFOTJSJQLQ-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031921922 748217308 /nfs/dbraw/zinc/21/73/08/748217308.db2.gz NAVWWFOTJSJQLQ-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200547964 748273634 /nfs/dbraw/zinc/27/36/34/748273634.db2.gz QLRDPZAWTOAIGX-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200635833 748297954 /nfs/dbraw/zinc/29/79/54/748297954.db2.gz WNOXCEWGKGWUEW-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044032 748405651 /nfs/dbraw/zinc/40/56/51/748405651.db2.gz OGWPFBBTXAQOEK-KRWDZBQOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](CC)OC)CC1 ZINC001201093500 748408587 /nfs/dbraw/zinc/40/85/87/748408587.db2.gz ANZGKPFQPKMZRI-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](CC)OC)CC1 ZINC001201093500 748408589 /nfs/dbraw/zinc/40/85/89/748408589.db2.gz ANZGKPFQPKMZRI-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201239804 748440767 /nfs/dbraw/zinc/44/07/67/748440767.db2.gz LEWLHGIKYDTODR-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004615470 748591295 /nfs/dbraw/zinc/59/12/95/748591295.db2.gz GPCNOJAEBQAGNK-KRWDZBQOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151585 748626731 /nfs/dbraw/zinc/62/67/31/748626731.db2.gz KGNFRIZIKLRYFF-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151585 748626734 /nfs/dbraw/zinc/62/67/34/748626734.db2.gz KGNFRIZIKLRYFF-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033151585 748626736 /nfs/dbraw/zinc/62/67/36/748626736.db2.gz KGNFRIZIKLRYFF-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033151585 748626743 /nfs/dbraw/zinc/62/67/43/748626743.db2.gz KGNFRIZIKLRYFF-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202504364 749010927 /nfs/dbraw/zinc/01/09/27/749010927.db2.gz TXKZYDMIVYUWIN-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001044781718 749124969 /nfs/dbraw/zinc/12/49/69/749124969.db2.gz VVFCUQCRQYFPDW-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC000996462165 749595604 /nfs/dbraw/zinc/59/56/04/749595604.db2.gz NQTHONXBGYAVFN-INIZCTEOSA-N 2 1 323.400 1.341 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005499054 750291044 /nfs/dbraw/zinc/29/10/44/750291044.db2.gz ZMURWJBMDZNDHA-INIZCTEOSA-N 2 1 314.433 1.707 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111151861 750393581 /nfs/dbraw/zinc/39/35/81/750393581.db2.gz LGXAXVIWKJUIGI-ZACQAIPSSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111151861 750393590 /nfs/dbraw/zinc/39/35/90/750393590.db2.gz LGXAXVIWKJUIGI-ZACQAIPSSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089901793 750524747 /nfs/dbraw/zinc/52/47/47/750524747.db2.gz BAGRLPGCMCWYBJ-QAETUUGQSA-N 2 1 303.450 1.437 20 30 DDEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997422816 750923078 /nfs/dbraw/zinc/92/30/78/750923078.db2.gz ZLKXNWXOYYMLQK-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997422816 750923080 /nfs/dbraw/zinc/92/30/80/750923080.db2.gz ZLKXNWXOYYMLQK-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035198074 751281452 /nfs/dbraw/zinc/28/14/52/751281452.db2.gz CWKOGPGCBNPORJ-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198074 751281454 /nfs/dbraw/zinc/28/14/54/751281454.db2.gz CWKOGPGCBNPORJ-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198074 751281455 /nfs/dbraw/zinc/28/14/55/751281455.db2.gz CWKOGPGCBNPORJ-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035194368 751293544 /nfs/dbraw/zinc/29/35/44/751293544.db2.gz JSLFRKQXAAGIKH-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194368 751293547 /nfs/dbraw/zinc/29/35/47/751293547.db2.gz JSLFRKQXAAGIKH-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194368 751293552 /nfs/dbraw/zinc/29/35/52/751293552.db2.gz JSLFRKQXAAGIKH-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035228339 751306942 /nfs/dbraw/zinc/30/69/42/751306942.db2.gz JHGYGAYFBLIPQT-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035228339 751306948 /nfs/dbraw/zinc/30/69/48/751306948.db2.gz JHGYGAYFBLIPQT-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035228339 751306954 /nfs/dbraw/zinc/30/69/54/751306954.db2.gz JHGYGAYFBLIPQT-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771774 752910691 /nfs/dbraw/zinc/91/06/91/752910691.db2.gz VJDRNFGUPOYZCK-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771774 752910693 /nfs/dbraw/zinc/91/06/93/752910693.db2.gz VJDRNFGUPOYZCK-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008771774 752910700 /nfs/dbraw/zinc/91/07/00/752910700.db2.gz VJDRNFGUPOYZCK-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008771774 752910702 /nfs/dbraw/zinc/91/07/02/752910702.db2.gz VJDRNFGUPOYZCK-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000999556501 752993029 /nfs/dbraw/zinc/99/30/29/752993029.db2.gz MAUCPWGNSKWXPY-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009146692 753088052 /nfs/dbraw/zinc/08/80/52/753088052.db2.gz RUDLJJOPDRRVAF-KRWDZBQOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000999862454 753212945 /nfs/dbraw/zinc/21/29/45/753212945.db2.gz PFALEXZPUTYOLQ-RUXDESIVSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000999862454 753212951 /nfs/dbraw/zinc/21/29/51/753212951.db2.gz PFALEXZPUTYOLQ-RUXDESIVSA-N 2 1 315.845 1.039 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090263228 753248561 /nfs/dbraw/zinc/24/85/61/753248561.db2.gz VRUPUUFJEURBJA-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614639 753279158 /nfs/dbraw/zinc/27/91/58/753279158.db2.gz YBKXVHCWGJSTSJ-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614639 753279160 /nfs/dbraw/zinc/27/91/60/753279160.db2.gz YBKXVHCWGJSTSJ-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001107997299 753392790 /nfs/dbraw/zinc/39/27/90/753392790.db2.gz WFJRUIIBJXWKGV-QGZVFWFLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997299 753392794 /nfs/dbraw/zinc/39/27/94/753392794.db2.gz WFJRUIIBJXWKGV-QGZVFWFLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997299 753392797 /nfs/dbraw/zinc/39/27/97/753392797.db2.gz WFJRUIIBJXWKGV-QGZVFWFLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997299 753392802 /nfs/dbraw/zinc/39/28/02/753392802.db2.gz WFJRUIIBJXWKGV-QGZVFWFLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998035 753402117 /nfs/dbraw/zinc/40/21/17/753402117.db2.gz HHCMRBUXGPPJDM-NVXWUHKLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078813364 754418135 /nfs/dbraw/zinc/41/81/35/754418135.db2.gz ZOSFVLVGQBWXRO-ZIAGYGMSSA-N 2 1 322.840 1.961 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090308886 754835415 /nfs/dbraw/zinc/83/54/15/754835415.db2.gz YTGMLWBXFZVYOH-KBPBESRZSA-N 2 1 323.462 1.161 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@H]2C)CC1 ZINC001080997853 756180247 /nfs/dbraw/zinc/18/02/47/756180247.db2.gz MNTMXNOBTMWEFZ-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015378619 756272847 /nfs/dbraw/zinc/27/28/47/756272847.db2.gz SHSVYWDPTHNTSV-MRXNPFEDSA-N 2 1 301.434 1.781 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001076282 762528355 /nfs/dbraw/zinc/52/83/55/762528355.db2.gz MLKLTQDZXAASFK-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076282 762528357 /nfs/dbraw/zinc/52/83/57/762528357.db2.gz MLKLTQDZXAASFK-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001076282 762528359 /nfs/dbraw/zinc/52/83/59/762528359.db2.gz MLKLTQDZXAASFK-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001075399 762526553 /nfs/dbraw/zinc/52/65/53/762526553.db2.gz IBKWKWCSWMAWOO-INIZCTEOSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075399 762526556 /nfs/dbraw/zinc/52/65/56/762526556.db2.gz IBKWKWCSWMAWOO-INIZCTEOSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075399 762526557 /nfs/dbraw/zinc/52/65/57/762526557.db2.gz IBKWKWCSWMAWOO-INIZCTEOSA-N 2 1 307.438 1.030 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016971493 757519365 /nfs/dbraw/zinc/51/93/65/757519365.db2.gz IIYRJEGIHJFTDJ-OAHLLOKOSA-N 2 1 302.422 1.738 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084398586 757556133 /nfs/dbraw/zinc/55/61/33/757556133.db2.gz HBUJPKAWTARJPV-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398586 757556139 /nfs/dbraw/zinc/55/61/39/757556139.db2.gz HBUJPKAWTARJPV-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084398586 757556147 /nfs/dbraw/zinc/55/61/47/757556147.db2.gz HBUJPKAWTARJPV-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052763980 757739332 /nfs/dbraw/zinc/73/93/32/757739332.db2.gz KRBRVXDXANLSDE-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763980 757739336 /nfs/dbraw/zinc/73/93/36/757739336.db2.gz KRBRVXDXANLSDE-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763980 757739338 /nfs/dbraw/zinc/73/93/38/757739338.db2.gz KRBRVXDXANLSDE-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663569 757753939 /nfs/dbraw/zinc/75/39/39/757753939.db2.gz JJROWNYEYOBWMZ-ZMSDIMECSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663569 757753942 /nfs/dbraw/zinc/75/39/42/757753942.db2.gz JJROWNYEYOBWMZ-ZMSDIMECSA-N 2 1 314.433 1.473 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931502 758118167 /nfs/dbraw/zinc/11/81/67/758118167.db2.gz BZESPMVOZMIUNF-PMPSAXMXSA-N 2 1 315.417 1.700 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001095931502 758118176 /nfs/dbraw/zinc/11/81/76/758118176.db2.gz BZESPMVOZMIUNF-PMPSAXMXSA-N 2 1 315.417 1.700 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016743 758151840 /nfs/dbraw/zinc/15/18/40/758151840.db2.gz JYHXTAACAKCEHL-MHORFTMASA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016743 758151845 /nfs/dbraw/zinc/15/18/45/758151845.db2.gz JYHXTAACAKCEHL-MHORFTMASA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016743 758151852 /nfs/dbraw/zinc/15/18/52/758151852.db2.gz JYHXTAACAKCEHL-MHORFTMASA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040725136 762660374 /nfs/dbraw/zinc/66/03/74/762660374.db2.gz XMNUBWPUBXNLSG-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053927146 758963693 /nfs/dbraw/zinc/96/36/93/758963693.db2.gz UFZLKXCKFFEMIS-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001053927146 758963703 /nfs/dbraw/zinc/96/37/03/758963703.db2.gz UFZLKXCKFFEMIS-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153443 759234406 /nfs/dbraw/zinc/23/44/06/759234406.db2.gz QXVSCSCXMOZANS-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153443 759234413 /nfs/dbraw/zinc/23/44/13/759234413.db2.gz QXVSCSCXMOZANS-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153443 759234419 /nfs/dbraw/zinc/23/44/19/759234419.db2.gz QXVSCSCXMOZANS-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001098392510 760109658 /nfs/dbraw/zinc/10/96/58/760109658.db2.gz SVZYTSHLKPUNFD-KRWDZBQOSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001054913024 760180588 /nfs/dbraw/zinc/18/05/88/760180588.db2.gz ZTVNTWSVTYOQOE-GDBMZVCRSA-N 2 1 316.449 1.775 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000258596 761606191 /nfs/dbraw/zinc/60/61/91/761606191.db2.gz CWXWPPTZUUYNSE-WBVHZDCISA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001039041472 761682031 /nfs/dbraw/zinc/68/20/31/761682031.db2.gz DJIBHTCRQFKDQR-GDBMZVCRSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041445387 763035984 /nfs/dbraw/zinc/03/59/84/763035984.db2.gz KJGQPSLUZHYQRZ-GOSISDBHSA-N 2 1 308.385 1.506 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109304009 763566681 /nfs/dbraw/zinc/56/66/81/763566681.db2.gz FIGQUNOMBCCKJJ-MTSZKFMLSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304009 763566685 /nfs/dbraw/zinc/56/66/85/763566685.db2.gz FIGQUNOMBCCKJJ-MTSZKFMLSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109304009 763566690 /nfs/dbraw/zinc/56/66/90/763566690.db2.gz FIGQUNOMBCCKJJ-MTSZKFMLSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042133053 763689688 /nfs/dbraw/zinc/68/96/88/763689688.db2.gz JECNJHKUVCDAOZ-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133382 763689903 /nfs/dbraw/zinc/68/99/03/763689903.db2.gz JSOOPOCPLCITKU-RHSMWYFYSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517985 763695601 /nfs/dbraw/zinc/69/56/01/763695601.db2.gz OFYMYSWQKSHTGT-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)CC1 ZINC001050546019 763738412 /nfs/dbraw/zinc/73/84/12/763738412.db2.gz UGUOSBZUSHPZSZ-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042188882 763756471 /nfs/dbraw/zinc/75/64/71/763756471.db2.gz XDFIURBUZATKED-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050565592 763760535 /nfs/dbraw/zinc/76/05/35/763760535.db2.gz GQBRNDOYIQIERT-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314389 763904256 /nfs/dbraw/zinc/90/42/56/763904256.db2.gz PETQXERIBXAYOU-HOTGVXAUSA-N 2 1 301.434 1.028 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051097605 764502104 /nfs/dbraw/zinc/50/21/04/764502104.db2.gz BZNCLWNESDGVEM-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051097605 764502109 /nfs/dbraw/zinc/50/21/09/764502109.db2.gz BZNCLWNESDGVEM-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704679 768272605 /nfs/dbraw/zinc/27/26/05/768272605.db2.gz YIQPQXOTNRYLHT-FUHWJXTLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704679 768272609 /nfs/dbraw/zinc/27/26/09/768272609.db2.gz YIQPQXOTNRYLHT-FUHWJXTLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704679 768272611 /nfs/dbraw/zinc/27/26/11/768272611.db2.gz YIQPQXOTNRYLHT-FUHWJXTLSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663654 766051240 /nfs/dbraw/zinc/05/12/40/766051240.db2.gz VWJYNJHGMRSGAL-INIZCTEOSA-N 2 1 317.433 1.949 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001170211955 766171057 /nfs/dbraw/zinc/17/10/57/766171057.db2.gz SVHQMRNAQZGJOC-UHFFFAOYSA-N 2 1 308.451 1.557 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533734 766384141 /nfs/dbraw/zinc/38/41/41/766384141.db2.gz WBFZFUCHTAQTKR-MRXNPFEDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533734 766384148 /nfs/dbraw/zinc/38/41/48/766384148.db2.gz WBFZFUCHTAQTKR-MRXNPFEDSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001045536216 766385214 /nfs/dbraw/zinc/38/52/14/766385214.db2.gz LUUXQFIZHXKMDM-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921220 766703594 /nfs/dbraw/zinc/70/35/94/766703594.db2.gz HZSDTRVFCBNEPK-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921220 766703597 /nfs/dbraw/zinc/70/35/97/766703597.db2.gz HZSDTRVFCBNEPK-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921220 766703599 /nfs/dbraw/zinc/70/35/99/766703599.db2.gz HZSDTRVFCBNEPK-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045964121 766744214 /nfs/dbraw/zinc/74/42/14/766744214.db2.gz ZEKNPTPXEDMQKW-MJGOQNOKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001129791063 766995514 /nfs/dbraw/zinc/99/55/14/766995514.db2.gz PYFUGIBFOGBIQT-PBHICJAKSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1F ZINC001129791063 766995519 /nfs/dbraw/zinc/99/55/19/766995519.db2.gz PYFUGIBFOGBIQT-PBHICJAKSA-N 2 1 317.408 1.690 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096101241 767631479 /nfs/dbraw/zinc/63/14/79/767631479.db2.gz QOFLUSPLDUHJMA-BDXSIMOUSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096101241 767631483 /nfs/dbraw/zinc/63/14/83/767631483.db2.gz QOFLUSPLDUHJMA-BDXSIMOUSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046568143 767695886 /nfs/dbraw/zinc/69/58/86/767695886.db2.gz NOMWGBFFHYYTQF-DOTOQJQBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046568143 767695889 /nfs/dbraw/zinc/69/58/89/767695889.db2.gz NOMWGBFFHYYTQF-DOTOQJQBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568143 767695892 /nfs/dbraw/zinc/69/58/92/767695892.db2.gz NOMWGBFFHYYTQF-DOTOQJQBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568143 767695895 /nfs/dbraw/zinc/69/58/95/767695895.db2.gz NOMWGBFFHYYTQF-DOTOQJQBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001047553549 768565197 /nfs/dbraw/zinc/56/51/97/768565197.db2.gz KRMKOTAXCGUMFR-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553549 768565199 /nfs/dbraw/zinc/56/51/99/768565199.db2.gz KRMKOTAXCGUMFR-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553549 768565204 /nfs/dbraw/zinc/56/52/04/768565204.db2.gz KRMKOTAXCGUMFR-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553549 768565206 /nfs/dbraw/zinc/56/52/06/768565206.db2.gz KRMKOTAXCGUMFR-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133314184 769702966 /nfs/dbraw/zinc/70/29/66/769702966.db2.gz MCVHVRUGVVFVKU-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133318096 769706415 /nfs/dbraw/zinc/70/64/15/769706415.db2.gz FCCPLSKWBUVLDO-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818731 769939334 /nfs/dbraw/zinc/93/93/34/769939334.db2.gz LQOPKUZKHBIXFE-BDXSIMOUSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818731 769939339 /nfs/dbraw/zinc/93/93/39/769939339.db2.gz LQOPKUZKHBIXFE-BDXSIMOUSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818731 769939347 /nfs/dbraw/zinc/93/93/47/769939347.db2.gz LQOPKUZKHBIXFE-BDXSIMOUSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895672 770245039 /nfs/dbraw/zinc/24/50/39/770245039.db2.gz AVTOKJGUQZTITH-MAUKXSAKSA-N 2 1 313.445 1.964 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001133831565 770315523 /nfs/dbraw/zinc/31/55/23/770315523.db2.gz QPCRNYVWCLNHJL-CQSZACIVSA-N 2 1 300.406 1.248 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001072095826 770536112 /nfs/dbraw/zinc/53/61/12/770536112.db2.gz OUCMGCMWUKPNBA-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392283 770773637 /nfs/dbraw/zinc/77/36/37/770773637.db2.gz XHVYWZVBLXGSBZ-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049840071 771198772 /nfs/dbraw/zinc/19/87/72/771198772.db2.gz MDJOHKIQLMNPLZ-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049840071 771198774 /nfs/dbraw/zinc/19/87/74/771198774.db2.gz MDJOHKIQLMNPLZ-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049840071 771198777 /nfs/dbraw/zinc/19/87/77/771198777.db2.gz MDJOHKIQLMNPLZ-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471249 771527829 /nfs/dbraw/zinc/52/78/29/771527829.db2.gz JGODDKXGEJTNDC-KBPBESRZSA-N 2 1 318.421 1.390 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892613 771770822 /nfs/dbraw/zinc/77/08/22/771770822.db2.gz RGAOBKKCXCSYPB-AWEZNQCLSA-N 2 1 313.405 1.941 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068507 772502455 /nfs/dbraw/zinc/50/24/55/772502455.db2.gz RMOAKIPIPIEELW-VMBOVVBDSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC001144946726 772729942 /nfs/dbraw/zinc/72/99/42/772729942.db2.gz ZMHLVYIWESGLLO-DOTOQJQBSA-N 2 1 317.433 1.332 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147646844 773189475 /nfs/dbraw/zinc/18/94/75/773189475.db2.gz GJELRVYLUBUIJK-HNNXBMFYSA-N 2 1 311.445 1.777 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677790 773296200 /nfs/dbraw/zinc/29/62/00/773296200.db2.gz SCDZGJGEQWPWQM-OAHLLOKOSA-N 2 1 307.438 1.008 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731804 773527649 /nfs/dbraw/zinc/52/76/49/773527649.db2.gz WDCXAWKAQLMHLY-LMMKCTJWSA-N 2 1 317.477 1.378 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738055 773555318 /nfs/dbraw/zinc/55/53/18/773555318.db2.gz ODKZRBKVGAMUHN-NUJGCVRESA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001099895971 773679539 /nfs/dbraw/zinc/67/95/39/773679539.db2.gz CEJVEARHRGVBHO-HOTGVXAUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001099895971 773679542 /nfs/dbraw/zinc/67/95/42/773679542.db2.gz CEJVEARHRGVBHO-HOTGVXAUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001099895971 773679545 /nfs/dbraw/zinc/67/95/45/773679545.db2.gz CEJVEARHRGVBHO-HOTGVXAUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952230 773890614 /nfs/dbraw/zinc/89/06/14/773890614.db2.gz FNTQFPKGZYOCOA-NUJGCVRESA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952230 773890618 /nfs/dbraw/zinc/89/06/18/773890618.db2.gz FNTQFPKGZYOCOA-NUJGCVRESA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952230 773890623 /nfs/dbraw/zinc/89/06/23/773890623.db2.gz FNTQFPKGZYOCOA-NUJGCVRESA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952230 773890630 /nfs/dbraw/zinc/89/06/30/773890630.db2.gz FNTQFPKGZYOCOA-NUJGCVRESA-N 2 1 321.465 1.062 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC)C[C@@]3(C)C2)CC1 ZINC001092300305 774051717 /nfs/dbraw/zinc/05/17/17/774051717.db2.gz UVBUEQUQNBZGBD-AEFFLSMTSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092774376 774270162 /nfs/dbraw/zinc/27/01/62/774270162.db2.gz LRLJJTJBDHUFLU-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093137064 774440332 /nfs/dbraw/zinc/44/03/32/774440332.db2.gz LYSUBJDHUNRCFX-HUUCEWRRSA-N 2 1 314.433 1.469 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754154 774478682 /nfs/dbraw/zinc/47/86/82/774478682.db2.gz AXMGWGNJAVEDOL-YJBOKZPZSA-N 2 1 322.412 1.812 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001098368326 774550293 /nfs/dbraw/zinc/55/02/93/774550293.db2.gz BHFCZYDDHMRSDL-KRWDZBQOSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001098368326 774550295 /nfs/dbraw/zinc/55/02/95/774550295.db2.gz BHFCZYDDHMRSDL-KRWDZBQOSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001098368326 774550297 /nfs/dbraw/zinc/55/02/97/774550297.db2.gz BHFCZYDDHMRSDL-KRWDZBQOSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001094964154 776910719 /nfs/dbraw/zinc/91/07/19/776910719.db2.gz MFBMTMXTLUQXPL-ZNMIVQPWSA-N 2 1 322.840 1.913 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374535 778828802 /nfs/dbraw/zinc/82/88/02/778828802.db2.gz HIGXPPINHGZVBA-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179633513 779443409 /nfs/dbraw/zinc/44/34/09/779443409.db2.gz MRIGHMDCNWOEHT-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782479 779479254 /nfs/dbraw/zinc/47/92/54/779479254.db2.gz KYYJOUWQKSWZNY-LNLFQRSKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782479 779479262 /nfs/dbraw/zinc/47/92/62/779479262.db2.gz KYYJOUWQKSWZNY-LNLFQRSKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782479 779479265 /nfs/dbraw/zinc/47/92/65/779479265.db2.gz KYYJOUWQKSWZNY-LNLFQRSKSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)CC[NH+]1CCOCC1 ZINC001179831762 779501743 /nfs/dbraw/zinc/50/17/43/779501743.db2.gz MIBPMNXILUZTTC-UHFFFAOYSA-N 2 1 311.470 1.551 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111983849 779587831 /nfs/dbraw/zinc/58/78/31/779587831.db2.gz SJHRNNMYLQAYIW-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983849 779587837 /nfs/dbraw/zinc/58/78/37/779587837.db2.gz SJHRNNMYLQAYIW-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111983849 779587843 /nfs/dbraw/zinc/58/78/43/779587843.db2.gz SJHRNNMYLQAYIW-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001115300531 780016267 /nfs/dbraw/zinc/01/62/67/780016267.db2.gz TZPNSPJKOXPJHY-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001115300531 780016275 /nfs/dbraw/zinc/01/62/75/780016275.db2.gz TZPNSPJKOXPJHY-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001115300531 780016283 /nfs/dbraw/zinc/01/62/83/780016283.db2.gz TZPNSPJKOXPJHY-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#CCOC)CCCCC1 ZINC001115805751 780448358 /nfs/dbraw/zinc/44/83/58/780448358.db2.gz DSCBXWOEFMWBMG-UHFFFAOYSA-N 2 1 323.481 1.387 20 30 DDEDMP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+](C)C(C)C ZINC001267257173 837678707 /nfs/dbraw/zinc/67/87/07/837678707.db2.gz QFJJHDNUKWKEGQ-UHFFFAOYSA-N 2 1 315.461 1.816 20 30 DDEDMP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[NH+](C)C(C)C ZINC001267257173 837678715 /nfs/dbraw/zinc/67/87/15/837678715.db2.gz QFJJHDNUKWKEGQ-UHFFFAOYSA-N 2 1 315.461 1.816 20 30 DDEDMP CC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@H+](C)C(C)C ZINC001267257173 837678719 /nfs/dbraw/zinc/67/87/19/837678719.db2.gz QFJJHDNUKWKEGQ-UHFFFAOYSA-N 2 1 315.461 1.816 20 30 DDEDMP CC[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@@H+](C)C(C)C ZINC001267257173 837678726 /nfs/dbraw/zinc/67/87/26/837678726.db2.gz QFJJHDNUKWKEGQ-UHFFFAOYSA-N 2 1 315.461 1.816 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266531867 836424942 /nfs/dbraw/zinc/42/49/42/836424942.db2.gz KGPYBTLWDCOICB-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266659900 836609165 /nfs/dbraw/zinc/60/91/65/836609165.db2.gz RXIXOJRJSYOWKD-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266871450 836977069 /nfs/dbraw/zinc/97/70/69/836977069.db2.gz ZMUNGAZZZDHBCP-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001266950560 837103747 /nfs/dbraw/zinc/10/37/47/837103747.db2.gz NPOCUKPPSAMOCN-PBHICJAKSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001266950560 837103756 /nfs/dbraw/zinc/10/37/56/837103756.db2.gz NPOCUKPPSAMOCN-PBHICJAKSA-N 2 1 317.408 1.518 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267070377 837287422 /nfs/dbraw/zinc/28/74/22/837287422.db2.gz LQNHTJGSJQOFQJ-WMZOPIPTSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001267519259 838237155 /nfs/dbraw/zinc/23/71/55/838237155.db2.gz CPNMZEFAYLVXMW-QGZVFWFLSA-N 2 1 310.401 1.662 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CCCF)CC1 ZINC001267602083 838412612 /nfs/dbraw/zinc/41/26/12/838412612.db2.gz ZIKKISYGBQYEEP-KRWDZBQOSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CCCF)CC1 ZINC001267602083 838412616 /nfs/dbraw/zinc/41/26/16/838412616.db2.gz ZIKKISYGBQYEEP-KRWDZBQOSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCCF)CC1 ZINC001267602083 838412619 /nfs/dbraw/zinc/41/26/19/838412619.db2.gz ZIKKISYGBQYEEP-KRWDZBQOSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCCF)CC1 ZINC001267602083 838412622 /nfs/dbraw/zinc/41/26/22/838412622.db2.gz ZIKKISYGBQYEEP-KRWDZBQOSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267605012 838425397 /nfs/dbraw/zinc/42/53/97/838425397.db2.gz JURASZUVGCOSTF-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267605012 838425405 /nfs/dbraw/zinc/42/54/05/838425405.db2.gz JURASZUVGCOSTF-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267605012 838425408 /nfs/dbraw/zinc/42/54/08/838425408.db2.gz JURASZUVGCOSTF-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267773600 838944161 /nfs/dbraw/zinc/94/41/61/838944161.db2.gz AALMSFNZRDYRBC-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267773600 838944165 /nfs/dbraw/zinc/94/41/65/838944165.db2.gz AALMSFNZRDYRBC-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268054995 839616286 /nfs/dbraw/zinc/61/62/86/839616286.db2.gz RSPMBJBDCOFJLQ-WMZOPIPTSA-N 2 1 313.445 1.569 20 30 DDEDMP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268306661 839976372 /nfs/dbraw/zinc/97/63/72/839976372.db2.gz CDEMMMBMHAEZIL-WBVHZDCISA-N 2 1 323.481 1.284 20 30 DDEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001269634692 841879603 /nfs/dbraw/zinc/87/96/03/841879603.db2.gz SSNYEZJOGPQKPS-GOSISDBHSA-N 2 1 307.482 1.862 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269798011 842055970 /nfs/dbraw/zinc/05/59/70/842055970.db2.gz FWKXJRXXYHUSMK-CABCVRRESA-N 2 1 313.873 1.909 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=C)C)CC1 ZINC001270363883 842515779 /nfs/dbraw/zinc/51/57/79/842515779.db2.gz JUFHLPKBHDBANA-MRXNPFEDSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001270738101 842860964 /nfs/dbraw/zinc/86/09/64/842860964.db2.gz ZWLCLNZRIRVGMM-FUHWJXTLSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CC2)C1 ZINC001270738101 842860977 /nfs/dbraw/zinc/86/09/77/842860977.db2.gz ZWLCLNZRIRVGMM-FUHWJXTLSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001270752896 842878587 /nfs/dbraw/zinc/87/85/87/842878587.db2.gz RCMTTZOLSKHDSM-QGZVFWFLSA-N 2 1 320.437 1.754 20 30 DDEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001271305241 843481770 /nfs/dbraw/zinc/48/17/70/843481770.db2.gz VNZNMVZIKXFKTK-OAHLLOKOSA-N 2 1 304.438 1.760 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001328810898 863244747 /nfs/dbraw/zinc/24/47/47/863244747.db2.gz ZIFPJDNIMPUYOY-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001328810898 863244753 /nfs/dbraw/zinc/24/47/53/863244753.db2.gz ZIFPJDNIMPUYOY-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272699425 846653183 /nfs/dbraw/zinc/65/31/83/846653183.db2.gz JESOZJLZDMTGLG-SFHVURJKSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034287293 848258957 /nfs/dbraw/zinc/25/89/57/848258957.db2.gz GGKXVEAYHCDDJA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034287293 848258964 /nfs/dbraw/zinc/25/89/64/848258964.db2.gz GGKXVEAYHCDDJA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034287293 848258975 /nfs/dbraw/zinc/25/89/75/848258975.db2.gz GGKXVEAYHCDDJA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034287293 848258987 /nfs/dbraw/zinc/25/89/87/848258987.db2.gz GGKXVEAYHCDDJA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034399392 848465551 /nfs/dbraw/zinc/46/55/51/848465551.db2.gz SZPBTVXZGBIPJJ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034399392 848465557 /nfs/dbraw/zinc/46/55/57/848465557.db2.gz SZPBTVXZGBIPJJ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034399392 848465562 /nfs/dbraw/zinc/46/55/62/848465562.db2.gz SZPBTVXZGBIPJJ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001273145647 848577888 /nfs/dbraw/zinc/57/78/88/848577888.db2.gz XSENKWALAOHUIM-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2C)CC1 ZINC001080998328 848725095 /nfs/dbraw/zinc/72/50/95/848725095.db2.gz YQOIZHNJZHBAFJ-GDBMZVCRSA-N 2 1 309.429 1.128 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881254 861961580 /nfs/dbraw/zinc/96/15/80/861961580.db2.gz JICIVVBBUFEUII-HOTGVXAUSA-N 2 1 311.470 1.356 20 30 DDEDMP N#Cc1ccc2ccnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c2c1 ZINC001155374011 862008792 /nfs/dbraw/zinc/00/87/92/862008792.db2.gz VYXPVLHBYGODNS-KRWDZBQOSA-N 2 1 321.428 1.966 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150292353 862171612 /nfs/dbraw/zinc/17/16/12/862171612.db2.gz RLZYGGWLKLYMGS-HZPDHXFCSA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480882 862263238 /nfs/dbraw/zinc/26/32/38/862263238.db2.gz RMSKHNVMYKDQHT-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150587767 862332593 /nfs/dbraw/zinc/33/25/93/862332593.db2.gz KBXXEBFCYSKFNQ-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150587767 862332611 /nfs/dbraw/zinc/33/26/11/862332611.db2.gz KBXXEBFCYSKFNQ-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150587767 862332628 /nfs/dbraw/zinc/33/26/28/862332628.db2.gz KBXXEBFCYSKFNQ-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150588687 862334409 /nfs/dbraw/zinc/33/44/09/862334409.db2.gz QZBBDIYRIOABFF-INIZCTEOSA-N 2 1 321.465 1.256 20 30 DDEDMP C=C[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274616190 852445771 /nfs/dbraw/zinc/44/57/71/852445771.db2.gz HEUWEONCMACCGN-MSOLQXFVSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C[C@](C)(O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274616194 852446197 /nfs/dbraw/zinc/44/61/97/852446197.db2.gz HEUWEONCMACCGN-ROUUACIJSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2cncn2C)C[C@H]1C ZINC001274652753 852486714 /nfs/dbraw/zinc/48/67/14/852486714.db2.gz GDADCNUGNWWUBK-HUUCEWRRSA-N 2 1 302.422 1.345 20 30 DDEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001274872669 852653673 /nfs/dbraw/zinc/65/36/73/852653673.db2.gz QMRQBOWYHLQZJF-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001274872669 852653678 /nfs/dbraw/zinc/65/36/78/852653678.db2.gz QMRQBOWYHLQZJF-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001274872669 852653683 /nfs/dbraw/zinc/65/36/83/852653683.db2.gz QMRQBOWYHLQZJF-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001275115810 852816996 /nfs/dbraw/zinc/81/69/96/852816996.db2.gz RFZUASFGYLHABD-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001275115810 852816999 /nfs/dbraw/zinc/81/69/99/852816999.db2.gz RFZUASFGYLHABD-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001275115810 852817001 /nfs/dbraw/zinc/81/70/01/852817001.db2.gz RFZUASFGYLHABD-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP Cc1ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1C#N ZINC001275374325 853034098 /nfs/dbraw/zinc/03/40/98/853034098.db2.gz WEMUKNIXSWJREI-PKOBYXMFSA-N 2 1 312.461 1.934 20 30 DDEDMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928069 853962487 /nfs/dbraw/zinc/96/24/87/853962487.db2.gz DJGXWRZBCWQKTR-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928069 853962493 /nfs/dbraw/zinc/96/24/93/853962493.db2.gz DJGXWRZBCWQKTR-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001151307990 862721803 /nfs/dbraw/zinc/72/18/03/862721803.db2.gz ILDGLICWOGKVFS-HOTGVXAUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151408572 862757830 /nfs/dbraw/zinc/75/78/30/862757830.db2.gz LTXHGBVIBZDBGC-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151408610 862758971 /nfs/dbraw/zinc/75/89/71/862758971.db2.gz NDVNJNONQUVZPT-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049567732 856987662 /nfs/dbraw/zinc/98/76/62/856987662.db2.gz OCDBZRKGNUPPHX-CVEARBPZSA-N 2 1 301.434 1.313 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595900 857035108 /nfs/dbraw/zinc/03/51/08/857035108.db2.gz UPHXPKIXAYOJQC-IAGOWNOFSA-N 2 1 308.385 1.646 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740829 857662867 /nfs/dbraw/zinc/66/28/67/857662867.db2.gz LOXUQIQDEWPXIU-KRWDZBQOSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001156342238 862950749 /nfs/dbraw/zinc/95/07/49/862950749.db2.gz WPBAZFPYSMJXSQ-VQIMIIECSA-N 2 1 315.461 1.923 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886218 857844600 /nfs/dbraw/zinc/84/46/00/857844600.db2.gz KGMFIICPAMULGJ-MRXNPFEDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886218 857844602 /nfs/dbraw/zinc/84/46/02/857844602.db2.gz KGMFIICPAMULGJ-MRXNPFEDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886218 857844603 /nfs/dbraw/zinc/84/46/03/857844603.db2.gz KGMFIICPAMULGJ-MRXNPFEDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036764 858029622 /nfs/dbraw/zinc/02/96/22/858029622.db2.gz JWJILNHVTMMGLF-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599550 858473342 /nfs/dbraw/zinc/47/33/42/858473342.db2.gz HMAUZIRBDNFZJD-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599550 858473348 /nfs/dbraw/zinc/47/33/48/858473348.db2.gz HMAUZIRBDNFZJD-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599550 858473351 /nfs/dbraw/zinc/47/33/51/858473351.db2.gz HMAUZIRBDNFZJD-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001224746611 881522699 /nfs/dbraw/zinc/52/26/99/881522699.db2.gz VCNNHXTVDMCPGM-UHFFFAOYSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455231 861116638 /nfs/dbraw/zinc/11/66/38/861116638.db2.gz LQXOGWBJMXKFKZ-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001328810898 863244737 /nfs/dbraw/zinc/24/47/37/863244737.db2.gz ZIFPJDNIMPUYOY-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001328808478 863245038 /nfs/dbraw/zinc/24/50/38/863245038.db2.gz PIWGHUKGWMJAQK-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCC2)CC1 ZINC001157092254 863567441 /nfs/dbraw/zinc/56/74/41/863567441.db2.gz ORSYBBWOVOYSPK-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001329935253 863954451 /nfs/dbraw/zinc/95/44/51/863954451.db2.gz ABDYJPMTDGZNLZ-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330337662 864251630 /nfs/dbraw/zinc/25/16/30/864251630.db2.gz DGHODRHVEIQSLB-ZXFNITATSA-N 2 1 323.456 1.679 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330337662 864251644 /nfs/dbraw/zinc/25/16/44/864251644.db2.gz DGHODRHVEIQSLB-ZXFNITATSA-N 2 1 323.456 1.679 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330337662 864251657 /nfs/dbraw/zinc/25/16/57/864251657.db2.gz DGHODRHVEIQSLB-ZXFNITATSA-N 2 1 323.456 1.679 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001158533693 864707650 /nfs/dbraw/zinc/70/76/50/864707650.db2.gz GEQPOPOZIHLQMQ-HZPDHXFCSA-N 2 1 302.422 1.780 20 30 DDEDMP C#CCN(C)C[C@H]1CCCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001158533693 864707664 /nfs/dbraw/zinc/70/76/64/864707664.db2.gz GEQPOPOZIHLQMQ-HZPDHXFCSA-N 2 1 302.422 1.780 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160478978 865872406 /nfs/dbraw/zinc/87/24/06/865872406.db2.gz HJVVOTDWHBMRJM-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160478978 865872420 /nfs/dbraw/zinc/87/24/20/865872420.db2.gz HJVVOTDWHBMRJM-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478978 865872433 /nfs/dbraw/zinc/87/24/33/865872433.db2.gz HJVVOTDWHBMRJM-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160478978 865872448 /nfs/dbraw/zinc/87/24/48/865872448.db2.gz HJVVOTDWHBMRJM-GDBMZVCRSA-N 2 1 307.438 1.030 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160592710 865962465 /nfs/dbraw/zinc/96/24/65/865962465.db2.gz AONVMDOOKOZDBD-UHFFFAOYSA-N 2 1 303.450 1.939 20 30 DDEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001332665645 866043164 /nfs/dbraw/zinc/04/31/64/866043164.db2.gz VJMWQGMQSOTVOE-CVEARBPZSA-N 2 1 311.470 1.188 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001161251769 866469542 /nfs/dbraw/zinc/46/95/42/866469542.db2.gz YLGUSOWTJAQMDE-UHFFFAOYSA-N 2 1 316.449 1.884 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001324082093 867058828 /nfs/dbraw/zinc/05/88/28/867058828.db2.gz RAZFGLNCBACDOA-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001280850784 882161501 /nfs/dbraw/zinc/16/15/01/882161501.db2.gz UBWACXZGRJDMGM-QGZVFWFLSA-N 2 1 307.482 1.912 20 30 DDEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001280850784 882161509 /nfs/dbraw/zinc/16/15/09/882161509.db2.gz UBWACXZGRJDMGM-QGZVFWFLSA-N 2 1 307.482 1.912 20 30 DDEDMP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001280850784 882161516 /nfs/dbraw/zinc/16/15/16/882161516.db2.gz UBWACXZGRJDMGM-QGZVFWFLSA-N 2 1 307.482 1.912 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165272246 869483478 /nfs/dbraw/zinc/48/34/78/869483478.db2.gz SHCXMYAQGGKPDY-HNNXBMFYSA-N 2 1 304.438 1.816 20 30 DDEDMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317008021 870112948 /nfs/dbraw/zinc/11/29/48/870112948.db2.gz UCNMZTIYVLKZMJ-CVEARBPZSA-N 2 1 321.465 1.111 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001166707506 870177373 /nfs/dbraw/zinc/17/73/73/870177373.db2.gz GVQFBAVVCKYKHB-WMZOPIPTSA-N 2 1 313.445 1.332 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001166708287 870180045 /nfs/dbraw/zinc/18/00/45/870180045.db2.gz OCLVVYRUAMTKNG-PBHICJAKSA-N 2 1 314.433 1.352 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001277125869 882411103 /nfs/dbraw/zinc/41/11/03/882411103.db2.gz VZRKQBYZXRINQP-UHFFFAOYSA-N 2 1 305.466 1.903 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001316680080 871021428 /nfs/dbraw/zinc/02/14/28/871021428.db2.gz FAYQBKDPAUAPIM-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001317662240 871352184 /nfs/dbraw/zinc/35/21/84/871352184.db2.gz WZDLWBKIQCYVEN-UHFFFAOYSA-N 2 1 311.389 1.311 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461050 871565696 /nfs/dbraw/zinc/56/56/96/871565696.db2.gz DZFOLIPXHUFUCD-MRXNPFEDSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317841893 871579490 /nfs/dbraw/zinc/57/94/90/871579490.db2.gz IPNHVUYGKMGHDG-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317841893 871579496 /nfs/dbraw/zinc/57/94/96/871579496.db2.gz IPNHVUYGKMGHDG-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317841893 871579500 /nfs/dbraw/zinc/57/95/00/871579500.db2.gz IPNHVUYGKMGHDG-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC1CN(CC#Cc2ccccc2)C1 ZINC001318175561 871794194 /nfs/dbraw/zinc/79/41/94/871794194.db2.gz BDAVWQGSDHLOQY-UHFFFAOYSA-N 2 1 313.445 1.426 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206031546 872004527 /nfs/dbraw/zinc/00/45/27/872004527.db2.gz ULNPFAHMEAVDTR-INIZCTEOSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206031546 872004553 /nfs/dbraw/zinc/00/45/53/872004553.db2.gz ULNPFAHMEAVDTR-INIZCTEOSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316772940 872019912 /nfs/dbraw/zinc/01/99/12/872019912.db2.gz QKPMELSMFLPPMJ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001319115312 872446540 /nfs/dbraw/zinc/44/65/40/872446540.db2.gz GMOSNZAJBOFQLV-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208330836 874020910 /nfs/dbraw/zinc/02/09/10/874020910.db2.gz GTDSUQSATNUDPN-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208335698 874026400 /nfs/dbraw/zinc/02/64/00/874026400.db2.gz YYPJCIXNQIRYLN-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CCN(C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208614044 874328753 /nfs/dbraw/zinc/32/87/53/874328753.db2.gz CTZCVTDCLZULSD-IBGZPJMESA-N 2 1 320.525 1.620 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001276615281 874666150 /nfs/dbraw/zinc/66/61/50/874666150.db2.gz APYPNSKCMWHEJT-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001276615281 874666153 /nfs/dbraw/zinc/66/61/53/874666153.db2.gz APYPNSKCMWHEJT-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330435 875332819 /nfs/dbraw/zinc/33/28/19/875332819.db2.gz XZABGKQHWHMMAV-OWCLPIDISA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674198 875484977 /nfs/dbraw/zinc/48/49/77/875484977.db2.gz OQBZFTPMSDXIEC-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211191293 875705311 /nfs/dbraw/zinc/70/53/11/875705311.db2.gz HQVWXNWOIRTQHN-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211191293 875705331 /nfs/dbraw/zinc/70/53/31/875705331.db2.gz HQVWXNWOIRTQHN-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001211191293 875705339 /nfs/dbraw/zinc/70/53/39/875705339.db2.gz HQVWXNWOIRTQHN-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001211191293 875705362 /nfs/dbraw/zinc/70/53/62/875705362.db2.gz HQVWXNWOIRTQHN-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213713024 876031647 /nfs/dbraw/zinc/03/16/47/876031647.db2.gz KYAJAUZVTHDFQE-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](OC)C1 ZINC001213713024 876031660 /nfs/dbraw/zinc/03/16/60/876031660.db2.gz KYAJAUZVTHDFQE-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215550892 876750712 /nfs/dbraw/zinc/75/07/12/876750712.db2.gz IDTLGNUVSDYDKA-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218631860 877626436 /nfs/dbraw/zinc/62/64/36/877626436.db2.gz YCISIPYGQMSREE-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218631860 877626450 /nfs/dbraw/zinc/62/64/50/877626450.db2.gz YCISIPYGQMSREE-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001218631860 877626458 /nfs/dbraw/zinc/62/64/58/877626458.db2.gz YCISIPYGQMSREE-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219796714 878517126 /nfs/dbraw/zinc/51/71/26/878517126.db2.gz MXXLQTXSRLDXGP-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796714 878517144 /nfs/dbraw/zinc/51/71/44/878517144.db2.gz MXXLQTXSRLDXGP-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796714 878517160 /nfs/dbraw/zinc/51/71/60/878517160.db2.gz MXXLQTXSRLDXGP-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688500 879186331 /nfs/dbraw/zinc/18/63/31/879186331.db2.gz IZDLRBLNCQUITK-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688500 879186335 /nfs/dbraw/zinc/18/63/35/879186335.db2.gz IZDLRBLNCQUITK-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688500 879186339 /nfs/dbraw/zinc/18/63/39/879186339.db2.gz IZDLRBLNCQUITK-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089365 880233484 /nfs/dbraw/zinc/23/34/84/880233484.db2.gz HHXTZHBXPJRTJI-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001228114550 883341926 /nfs/dbraw/zinc/34/19/26/883341926.db2.gz TUOYXMMZNQVAHF-UHFFFAOYSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001280872308 885996983 /nfs/dbraw/zinc/99/69/83/885996983.db2.gz FYACJSAJWAZOSU-IRXDYDNUSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001277907911 888246108 /nfs/dbraw/zinc/24/61/08/888246108.db2.gz DYVROCIIJWRDLR-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001278425583 892326115 /nfs/dbraw/zinc/32/61/15/892326115.db2.gz BFFMJQNUPXGVQG-SJLPKXTDSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001278425583 892326137 /nfs/dbraw/zinc/32/61/37/892326137.db2.gz BFFMJQNUPXGVQG-SJLPKXTDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278425541 892326319 /nfs/dbraw/zinc/32/63/19/892326319.db2.gz AWPRZBIOJQLRSE-IRXDYDNUSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278425541 892326335 /nfs/dbraw/zinc/32/63/35/892326335.db2.gz AWPRZBIOJQLRSE-IRXDYDNUSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278425541 892326354 /nfs/dbraw/zinc/32/63/54/892326354.db2.gz AWPRZBIOJQLRSE-IRXDYDNUSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278425541 892326372 /nfs/dbraw/zinc/32/63/72/892326372.db2.gz AWPRZBIOJQLRSE-IRXDYDNUSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001278433593 892447756 /nfs/dbraw/zinc/44/77/56/892447756.db2.gz KYVOFSNSJBRGLW-GOSISDBHSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001278433593 892447772 /nfs/dbraw/zinc/44/77/72/892447772.db2.gz KYVOFSNSJBRGLW-GOSISDBHSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246310215 892531668 /nfs/dbraw/zinc/53/16/68/892531668.db2.gz ZRYOMBQGMSBTSO-PQUAAJSLSA-N 3 1 323.481 1.725 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001366306987 893111385 /nfs/dbraw/zinc/11/13/85/893111385.db2.gz CGXHTDDPDMCERN-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001366306987 893111388 /nfs/dbraw/zinc/11/13/88/893111388.db2.gz CGXHTDDPDMCERN-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccc(C#N)s1 ZINC001366645806 894423515 /nfs/dbraw/zinc/42/35/15/894423515.db2.gz YKZWNYUNTSRBBU-UHFFFAOYSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccc(C#N)s1 ZINC001366645806 894423524 /nfs/dbraw/zinc/42/35/24/894423524.db2.gz YKZWNYUNTSRBBU-UHFFFAOYSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)Cc1ccc(C#N)s1 ZINC001366645806 894423534 /nfs/dbraw/zinc/42/35/34/894423534.db2.gz YKZWNYUNTSRBBU-UHFFFAOYSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)Cc1ccc(C#N)s1 ZINC001366645806 894423548 /nfs/dbraw/zinc/42/35/48/894423548.db2.gz YKZWNYUNTSRBBU-UHFFFAOYSA-N 2 1 322.478 1.898 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001252595138 895299620 /nfs/dbraw/zinc/29/96/20/895299620.db2.gz DZFQTPNUGKGPQJ-QYZOEREBSA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252595138 895299635 /nfs/dbraw/zinc/29/96/35/895299635.db2.gz DZFQTPNUGKGPQJ-QYZOEREBSA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252595138 895299646 /nfs/dbraw/zinc/29/96/46/895299646.db2.gz DZFQTPNUGKGPQJ-QYZOEREBSA-N 2 1 322.493 1.994 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001278747279 896157537 /nfs/dbraw/zinc/15/75/37/896157537.db2.gz JXESLZZAZMUZIK-CQSZACIVSA-N 2 1 317.424 1.978 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001278752633 896189080 /nfs/dbraw/zinc/18/90/80/896189080.db2.gz JYXSMTWGEMATEM-CQSZACIVSA-N 2 1 317.424 1.978 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001278752633 896189091 /nfs/dbraw/zinc/18/90/91/896189091.db2.gz JYXSMTWGEMATEM-CQSZACIVSA-N 2 1 317.424 1.978 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001278752633 896189105 /nfs/dbraw/zinc/18/91/05/896189105.db2.gz JYXSMTWGEMATEM-CQSZACIVSA-N 2 1 317.424 1.978 20 30 DDEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255390136 896877940 /nfs/dbraw/zinc/87/79/40/896877940.db2.gz ZBZBFMMOPOGKES-UAGQMJEPSA-N 2 1 317.433 1.867 20 30 DDEDMP C[C@H]1CN(O)C(=O)[C@H]1[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255390136 896877949 /nfs/dbraw/zinc/87/79/49/896877949.db2.gz ZBZBFMMOPOGKES-UAGQMJEPSA-N 2 1 317.433 1.867 20 30 DDEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001278878441 897074820 /nfs/dbraw/zinc/07/48/20/897074820.db2.gz OGKOCFXMPHYJIM-SJORKVTESA-N 2 1 323.481 1.024 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001278878441 897074833 /nfs/dbraw/zinc/07/48/33/897074833.db2.gz OGKOCFXMPHYJIM-SJORKVTESA-N 2 1 323.481 1.024 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001278878441 897074846 /nfs/dbraw/zinc/07/48/46/897074846.db2.gz OGKOCFXMPHYJIM-SJORKVTESA-N 2 1 323.481 1.024 20 30 DDEDMP C[NH+]1CCN(C(=O)C2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256970322 897650364 /nfs/dbraw/zinc/65/03/64/897650364.db2.gz YCNNQBHQFUJGDJ-UHFFFAOYSA-N 2 1 318.465 1.555 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001279089772 898134061 /nfs/dbraw/zinc/13/40/61/898134061.db2.gz PLUAKGKXHKXZTI-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001263851746 900766513 /nfs/dbraw/zinc/76/65/13/900766513.db2.gz UESNTVXNNWMNLM-JQHSSLGASA-N 2 1 313.445 1.797 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001264380804 901068291 /nfs/dbraw/zinc/06/82/91/901068291.db2.gz REKZBYCLIQCFHQ-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001264403503 901091743 /nfs/dbraw/zinc/09/17/43/901091743.db2.gz QRLAGUMZCHMBHD-VBQJREDUSA-N 2 1 311.445 1.869 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001279156382 903186526 /nfs/dbraw/zinc/18/65/26/903186526.db2.gz PNUPQEFKKHAPCN-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001370833743 903812330 /nfs/dbraw/zinc/81/23/30/903812330.db2.gz TWLIFRMLPQHRTK-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001281405660 904801424 /nfs/dbraw/zinc/80/14/24/904801424.db2.gz APTYXXBPIULRJH-XJKSGUPXSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001281499945 904943133 /nfs/dbraw/zinc/94/31/33/904943133.db2.gz IHLMGFORIIFFGB-QGZVFWFLSA-N 2 1 317.477 1.997 20 30 DDEDMP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001282466484 905805779 /nfs/dbraw/zinc/80/57/79/905805779.db2.gz CREFREDFGAGXJC-HNNXBMFYSA-N 2 1 320.437 1.058 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001282466484 905805795 /nfs/dbraw/zinc/80/57/95/905805795.db2.gz CREFREDFGAGXJC-HNNXBMFYSA-N 2 1 320.437 1.058 20 30 DDEDMP COCC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282663868 905933323 /nfs/dbraw/zinc/93/33/23/905933323.db2.gz YEKFGXIMRCVUDW-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001282663868 905933333 /nfs/dbraw/zinc/93/33/33/905933333.db2.gz YEKFGXIMRCVUDW-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001282663868 905933338 /nfs/dbraw/zinc/93/33/38/905933338.db2.gz YEKFGXIMRCVUDW-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001282885234 906154755 /nfs/dbraw/zinc/15/47/55/906154755.db2.gz JNDYIBLSGLNBPK-PHZGNYQRSA-N 2 1 302.422 1.452 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001282885234 906154768 /nfs/dbraw/zinc/15/47/68/906154768.db2.gz JNDYIBLSGLNBPK-PHZGNYQRSA-N 2 1 302.422 1.452 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001283051727 906539222 /nfs/dbraw/zinc/53/92/22/906539222.db2.gz RGXZPRGDERGQKV-AGWXYYIZSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001283051727 906539238 /nfs/dbraw/zinc/53/92/38/906539238.db2.gz RGXZPRGDERGQKV-AGWXYYIZSA-N 2 1 309.841 1.321 20 30 DDEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001283676769 907780280 /nfs/dbraw/zinc/78/02/80/907780280.db2.gz DSXWIESGGAKXHU-OAHLLOKOSA-N 2 1 311.470 1.051 20 30 DDEDMP C#CC[NH2+][C@@H](CCNC(=O)Cn1cc[nH+]c1C)Cc1ccccc1 ZINC001284152041 908554572 /nfs/dbraw/zinc/55/45/72/908554572.db2.gz CDIPDTNEWIGCIG-SFHVURJKSA-N 2 1 324.428 1.532 20 30 DDEDMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001376802811 919433396 /nfs/dbraw/zinc/43/33/96/919433396.db2.gz QCWCWVHEERXTJI-CABCVRRESA-N 2 1 314.433 1.494 20 30 DDEDMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001377009624 920076434 /nfs/dbraw/zinc/07/64/34/920076434.db2.gz FVDHJKXEANIZNV-WFASDCNBSA-N 2 1 320.462 1.698 20 30 DDEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000591729606 355373738 /nfs/dbraw/zinc/37/37/38/355373738.db2.gz DYGIJVVENJGJHZ-DLBZAZTESA-N 2 1 317.433 1.619 20 30 DDEDMP Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C#N ZINC000600710797 358290456 /nfs/dbraw/zinc/29/04/56/358290456.db2.gz PGUKYPFBBFNWGL-KRWDZBQOSA-N 2 1 314.433 1.686 20 30 DDEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600722513 358296278 /nfs/dbraw/zinc/29/62/78/358296278.db2.gz GQSYLAKGYHHYKQ-MRXNPFEDSA-N 2 1 320.437 1.633 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609133538 360263704 /nfs/dbraw/zinc/26/37/04/360263704.db2.gz SYKXBSGRCCFBFJ-UHFFFAOYSA-N 2 1 308.470 1.801 20 30 DDEDMP CO[C@]1(C)CCC[N@@H+](CC#CC[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000342118028 533368687 /nfs/dbraw/zinc/36/86/87/533368687.db2.gz CFOAWQMYAUADGS-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CO[C@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000342118028 533368691 /nfs/dbraw/zinc/36/86/91/533368691.db2.gz CFOAWQMYAUADGS-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CO[C@]1(C)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000342118028 533368695 /nfs/dbraw/zinc/36/86/95/533368695.db2.gz CFOAWQMYAUADGS-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCc2ccccc2OC)C1 ZINC000170910538 407550851 /nfs/dbraw/zinc/55/08/51/407550851.db2.gz BQANIMSIXXODJD-CQSZACIVSA-N 2 1 304.438 1.831 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280562781 409357486 /nfs/dbraw/zinc/35/74/86/409357486.db2.gz KNZXBRBDPCCXMG-QAQDUYKDSA-N 2 1 316.449 1.559 20 30 DDEDMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303231221 409540660 /nfs/dbraw/zinc/54/06/60/409540660.db2.gz VAKWUTHQEJRBED-QGZVFWFLSA-N 2 1 317.433 1.714 20 30 DDEDMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303231221 409540667 /nfs/dbraw/zinc/54/06/67/409540667.db2.gz VAKWUTHQEJRBED-QGZVFWFLSA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000328832595 409987427 /nfs/dbraw/zinc/98/74/27/409987427.db2.gz LKGXRXZDHVZMIG-IRXDYDNUSA-N 2 1 318.465 1.555 20 30 DDEDMP C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000358164156 410389344 /nfs/dbraw/zinc/38/93/44/410389344.db2.gz NFBJFUHYHDDPBW-QGZVFWFLSA-N 2 1 306.406 1.416 20 30 DDEDMP C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000358164156 410389349 /nfs/dbraw/zinc/38/93/49/410389349.db2.gz NFBJFUHYHDDPBW-QGZVFWFLSA-N 2 1 306.406 1.416 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261990026 222267806 /nfs/dbraw/zinc/26/78/06/222267806.db2.gz RBOOLGFILLQHBU-BBRMVZONSA-N 2 1 301.438 1.538 20 30 DDEDMP COc1cccc([C@@H](CNC(=[NH2+])NC2CC2)[NH+]2CCCC2)c1 ZINC000264147249 222325398 /nfs/dbraw/zinc/32/53/98/222325398.db2.gz YEIRCUHGYIDFDJ-MRXNPFEDSA-N 2 1 302.422 1.899 20 30 DDEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC1 ZINC000263113417 222304031 /nfs/dbraw/zinc/30/40/31/222304031.db2.gz LFLTTXHTRQKVHP-INIZCTEOSA-N 2 1 302.422 1.298 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264068022 222312651 /nfs/dbraw/zinc/31/26/51/222312651.db2.gz FPCZPDAMSRFMLC-UHFFFAOYSA-N 2 1 317.481 1.494 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000264079338 222314690 /nfs/dbraw/zinc/31/46/90/222314690.db2.gz IEQVRTUCOZOWDY-INIZCTEOSA-N 2 1 320.437 1.383 20 30 DDEDMP CC(C)CCNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264119507 222320769 /nfs/dbraw/zinc/32/07/69/222320769.db2.gz ULKWTLVRXPFPAY-KRWDZBQOSA-N 2 1 318.465 1.356 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000267392720 222383540 /nfs/dbraw/zinc/38/35/40/222383540.db2.gz DHIJBGPNEUSMHK-MRXNPFEDSA-N 2 1 302.422 1.298 20 30 DDEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367883043 418651895 /nfs/dbraw/zinc/65/18/95/418651895.db2.gz ADUFUCDVRZDTSW-HNNXBMFYSA-N 2 1 316.449 1.921 20 30 DDEDMP Cc1nsc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C#N ZINC000367939399 418660271 /nfs/dbraw/zinc/66/02/71/418660271.db2.gz UHVAHEZIOCCOHH-GFCCVEGCSA-N 2 1 305.451 1.904 20 30 DDEDMP Cc1nsc(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C#N ZINC000367939399 418660273 /nfs/dbraw/zinc/66/02/73/418660273.db2.gz UHVAHEZIOCCOHH-GFCCVEGCSA-N 2 1 305.451 1.904 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000369071915 418728398 /nfs/dbraw/zinc/72/83/98/418728398.db2.gz AUBKEXXKWLMICS-ZXFUBFMLSA-N 2 1 320.481 1.809 20 30 DDEDMP C=CCNC(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369905219 418739114 /nfs/dbraw/zinc/73/91/14/418739114.db2.gz WZPIRWAEFUTUHJ-UHFFFAOYSA-N 2 1 317.437 1.296 20 30 DDEDMP C=CCNC(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000369905219 418739117 /nfs/dbraw/zinc/73/91/17/418739117.db2.gz WZPIRWAEFUTUHJ-UHFFFAOYSA-N 2 1 317.437 1.296 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000371480751 418794963 /nfs/dbraw/zinc/79/49/63/418794963.db2.gz QRXAJKNQWRNWNM-ZBFHGGJFSA-N 2 1 306.454 1.372 20 30 DDEDMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424140362 228234237 /nfs/dbraw/zinc/23/42/37/228234237.db2.gz FQWISKUYHWWQPR-RDJZCZTQSA-N 2 1 314.433 1.740 20 30 DDEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471868114 420955090 /nfs/dbraw/zinc/95/50/90/420955090.db2.gz DDGBXZIOVCRFPH-MSOLQXFVSA-N 2 1 315.461 1.961 20 30 DDEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471868114 420955093 /nfs/dbraw/zinc/95/50/93/420955093.db2.gz DDGBXZIOVCRFPH-MSOLQXFVSA-N 2 1 315.461 1.961 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000491701234 421201837 /nfs/dbraw/zinc/20/18/37/421201837.db2.gz WHLSGWKRWAYHQZ-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000530334791 421594857 /nfs/dbraw/zinc/59/48/57/421594857.db2.gz WQLDPYPYUCUWPO-HUUCEWRRSA-N 2 1 306.454 1.744 20 30 DDEDMP CC#CCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000571058645 421685438 /nfs/dbraw/zinc/68/54/38/421685438.db2.gz AHEFJSIIFQDYMO-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000635532083 422081938 /nfs/dbraw/zinc/08/19/38/422081938.db2.gz YYAITPKARMOBNH-HOTGVXAUSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[C@]1(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662758926 424758892 /nfs/dbraw/zinc/75/88/92/424758892.db2.gz VISKNUPHWYPSMI-SJLPKXTDSA-N 2 1 322.497 1.075 20 30 DDEDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000344161598 267181325 /nfs/dbraw/zinc/18/13/25/267181325.db2.gz GSWCDUXIENIXKI-YOEHRIQHSA-N 2 1 314.433 1.796 20 30 DDEDMP COCCN(C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170468 308022700 /nfs/dbraw/zinc/02/27/00/308022700.db2.gz LARMQYOPDLAXQV-YOEHRIQHSA-N 2 1 305.422 1.490 20 30 DDEDMP COCCN(C)C[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170468 308022702 /nfs/dbraw/zinc/02/27/02/308022702.db2.gz LARMQYOPDLAXQV-YOEHRIQHSA-N 2 1 305.422 1.490 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000245437642 341293953 /nfs/dbraw/zinc/29/39/53/341293953.db2.gz RPEGAIMQTABRKI-JLJPHGGASA-N 2 1 306.454 1.457 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)nn1 ZINC000655941438 484043957 /nfs/dbraw/zinc/04/39/57/484043957.db2.gz UINMLKQKIJTRRI-CVEARBPZSA-N 2 1 305.426 1.182 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424143071 534008110 /nfs/dbraw/zinc/00/81/10/534008110.db2.gz JKBKOJRJMPLHHZ-HOCLYGCPSA-N 2 1 302.422 1.644 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424192489 534228958 /nfs/dbraw/zinc/22/89/58/534228958.db2.gz PATRFMDGMIAEEH-QXSJWSMHSA-N 2 1 306.454 1.871 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972340982 695221515 /nfs/dbraw/zinc/22/15/15/695221515.db2.gz XSHYPVJEGKLVRA-LSDHHAIUSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972340982 695221516 /nfs/dbraw/zinc/22/15/16/695221516.db2.gz XSHYPVJEGKLVRA-LSDHHAIUSA-N 2 1 302.422 1.473 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974655790 695704960 /nfs/dbraw/zinc/70/49/60/695704960.db2.gz YPADTVYQOTVYFZ-IRXDYDNUSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655790 695704961 /nfs/dbraw/zinc/70/49/61/695704961.db2.gz YPADTVYQOTVYFZ-IRXDYDNUSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655790 695704962 /nfs/dbraw/zinc/70/49/62/695704962.db2.gz YPADTVYQOTVYFZ-IRXDYDNUSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670257 695708565 /nfs/dbraw/zinc/70/85/65/695708565.db2.gz HTPJXJLAEJHYPI-KBPBESRZSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670257 695708567 /nfs/dbraw/zinc/70/85/67/695708567.db2.gz HTPJXJLAEJHYPI-KBPBESRZSA-N 2 1 302.422 1.773 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979080272 696492973 /nfs/dbraw/zinc/49/29/73/696492973.db2.gz RJJSZFNRHBNALQ-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979080272 696492975 /nfs/dbraw/zinc/49/29/75/696492975.db2.gz RJJSZFNRHBNALQ-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979080272 696492977 /nfs/dbraw/zinc/49/29/77/696492977.db2.gz RJJSZFNRHBNALQ-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980154142 696695186 /nfs/dbraw/zinc/69/51/86/696695186.db2.gz ZKBJJNWLEQVKNZ-HRCADAONSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980154142 696695188 /nfs/dbraw/zinc/69/51/88/696695188.db2.gz ZKBJJNWLEQVKNZ-HRCADAONSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC000982343651 697105999 /nfs/dbraw/zinc/10/59/99/697105999.db2.gz HIOIKRFHRYHUTA-HDICACEKSA-N 2 1 315.461 1.418 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000176662773 697404399 /nfs/dbraw/zinc/40/43/99/697404399.db2.gz QMZURBWZUSYTPF-JYJNAYRXSA-N 2 1 324.513 1.944 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602001 697541127 /nfs/dbraw/zinc/54/11/27/697541127.db2.gz BKLVAPQMXRPESA-OAHLLOKOSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602001 697541128 /nfs/dbraw/zinc/54/11/28/697541128.db2.gz BKLVAPQMXRPESA-OAHLLOKOSA-N 2 1 316.449 1.863 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190528235 697592700 /nfs/dbraw/zinc/59/27/00/697592700.db2.gz HXAWBBSXOWNWLL-NVXWUHKLSA-N 2 1 318.465 1.980 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000987263531 698064593 /nfs/dbraw/zinc/06/45/93/698064593.db2.gz APBGOJSPVOBHFJ-BBRMVZONSA-N 2 1 311.389 1.646 20 30 DDEDMP C[NH+]=C(NCC1(O)CCCCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262764519 698480144 /nfs/dbraw/zinc/48/01/44/698480144.db2.gz FNXWNQXYOPGGOX-MQVJKMGUSA-N 2 1 322.497 1.862 20 30 DDEDMP CCOCCCNC(=[NH2+])NCCC[N@H+]1CCc2ccccc2C1 ZINC000303887362 698608889 /nfs/dbraw/zinc/60/88/89/698608889.db2.gz KUHUQPHKUJAGLM-UHFFFAOYSA-N 2 1 318.465 1.766 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+](C)C1CCCCC1 ZINC000303906780 698611063 /nfs/dbraw/zinc/61/10/63/698611063.db2.gz WIONLLSYIHPRER-MRXNPFEDSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@H+](C)C1CCCCC1 ZINC000303906780 698611065 /nfs/dbraw/zinc/61/10/65/698611065.db2.gz WIONLLSYIHPRER-MRXNPFEDSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000303906780 698611067 /nfs/dbraw/zinc/61/10/67/698611067.db2.gz WIONLLSYIHPRER-MRXNPFEDSA-N 3 1 309.502 1.640 20 30 DDEDMP CCOC(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)o1 ZINC000304775043 698624969 /nfs/dbraw/zinc/62/49/69/698624969.db2.gz GPNFHORPPXFBFY-GFCCVEGCSA-N 2 1 322.409 1.345 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989452269 698627495 /nfs/dbraw/zinc/62/74/95/698627495.db2.gz XSNIQQRFYMPJRT-KGLIPLIRSA-N 2 1 318.421 1.649 20 30 DDEDMP C#CCNC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000787301223 699204345 /nfs/dbraw/zinc/20/43/45/699204345.db2.gz FUFGKRSWVCPKJF-MNZLEMJZSA-N 2 1 313.445 1.482 20 30 DDEDMP C#CCNC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000787301223 699204347 /nfs/dbraw/zinc/20/43/47/699204347.db2.gz FUFGKRSWVCPKJF-MNZLEMJZSA-N 2 1 313.445 1.482 20 30 DDEDMP C#C[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000847020992 703366859 /nfs/dbraw/zinc/36/68/59/703366859.db2.gz HDLBTLBQJTZKJH-WMZOPIPTSA-N 2 1 313.445 1.751 20 30 DDEDMP CN(C)C(=[NH+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)N(C)C ZINC000849054708 703615725 /nfs/dbraw/zinc/61/57/25/703615725.db2.gz PKKZJEOYXSMPGH-AWEZNQCLSA-N 2 1 323.510 1.516 20 30 DDEDMP C#CCOc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000854230967 704369088 /nfs/dbraw/zinc/36/90/88/704369088.db2.gz FURCOORHBQEJFU-GFCCVEGCSA-N 2 1 312.373 1.504 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876709249 705831320 /nfs/dbraw/zinc/83/13/20/705831320.db2.gz NCVHIUPQNQDHKD-HUUCEWRRSA-N 2 1 307.825 1.847 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000876948279 705934523 /nfs/dbraw/zinc/93/45/23/705934523.db2.gz KJZHEOVIRICDFF-HZPDHXFCSA-N 2 1 321.852 1.842 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000876948279 705934525 /nfs/dbraw/zinc/93/45/25/705934525.db2.gz KJZHEOVIRICDFF-HZPDHXFCSA-N 2 1 321.852 1.842 20 30 DDEDMP C=CCN1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000880258526 706922883 /nfs/dbraw/zinc/92/28/83/706922883.db2.gz AHWDLZVCUOBMDB-HOCLYGCPSA-N 2 1 300.406 1.379 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000880258526 706922884 /nfs/dbraw/zinc/92/28/84/706922884.db2.gz AHWDLZVCUOBMDB-HOCLYGCPSA-N 2 1 300.406 1.379 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000834488216 707068100 /nfs/dbraw/zinc/06/81/00/707068100.db2.gz ALQGERDTNIDTFX-IXDOHACOSA-N 2 1 312.417 1.269 20 30 DDEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834494823 707070997 /nfs/dbraw/zinc/07/09/97/707070997.db2.gz PSLNGHWBFODRHF-IRXDYDNUSA-N 2 1 314.433 1.760 20 30 DDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000884188595 708179144 /nfs/dbraw/zinc/17/91/44/708179144.db2.gz LRAWFDFUAJSEAV-MYCCOQIQSA-N 2 1 318.465 1.362 20 30 DDEDMP CC(C)[N@H+]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884377878 708270624 /nfs/dbraw/zinc/27/06/24/708270624.db2.gz YSCNTAOYSSSFET-CKDBGZEDSA-N 2 1 304.438 1.068 20 30 DDEDMP CC(C)[N@H+]1CCCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884377879 708270701 /nfs/dbraw/zinc/27/07/01/708270701.db2.gz YSCNTAOYSSSFET-ISXOHVOVSA-N 2 1 304.438 1.068 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886030292 708685224 /nfs/dbraw/zinc/68/52/24/708685224.db2.gz ISHMOHOTXULJKY-IRXDYDNUSA-N 2 1 323.481 1.864 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)C1 ZINC000890362443 709834574 /nfs/dbraw/zinc/83/45/74/709834574.db2.gz CKQFSSABGXJDEL-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000890362443 709834576 /nfs/dbraw/zinc/83/45/76/709834576.db2.gz CKQFSSABGXJDEL-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC)[C@@H]2CC[NH+](CC)C2)C1 ZINC000890362443 709834580 /nfs/dbraw/zinc/83/45/80/709834580.db2.gz CKQFSSABGXJDEL-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC)[C@@H]2CC[NH+](CC)C2)C1 ZINC000890362443 709834583 /nfs/dbraw/zinc/83/45/83/709834583.db2.gz CKQFSSABGXJDEL-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000890365084 709838602 /nfs/dbraw/zinc/83/86/02/709838602.db2.gz OONCQYFQJPZOIH-YESZJQIVSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000890365084 709838606 /nfs/dbraw/zinc/83/86/06/709838606.db2.gz OONCQYFQJPZOIH-YESZJQIVSA-N 2 1 318.465 1.352 20 30 DDEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(C#N)ccn1 ZINC000902800569 710904764 /nfs/dbraw/zinc/90/47/64/710904764.db2.gz PWRKENTZVXPHIA-GDBMZVCRSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000963934572 717950728 /nfs/dbraw/zinc/95/07/28/717950728.db2.gz ZTGHIDAHSYFSOL-FIXVGMIGSA-N 2 1 317.477 1.615 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108383 717955233 /nfs/dbraw/zinc/95/52/33/717955233.db2.gz XNFKIQZQHMBXHB-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108383 717955234 /nfs/dbraw/zinc/95/52/34/717955234.db2.gz XNFKIQZQHMBXHB-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923354247 714324532 /nfs/dbraw/zinc/32/45/32/714324532.db2.gz BANDJDXLPKNVCR-WMZOPIPTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000923354247 714324533 /nfs/dbraw/zinc/32/45/33/714324533.db2.gz BANDJDXLPKNVCR-WMZOPIPTSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C ZINC000940811213 716970821 /nfs/dbraw/zinc/97/08/21/716970821.db2.gz CHWSXRWXEDDLNA-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC000940811213 716970822 /nfs/dbraw/zinc/97/08/22/716970822.db2.gz CHWSXRWXEDDLNA-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)CC1(C)C ZINC000940811213 716970823 /nfs/dbraw/zinc/97/08/23/716970823.db2.gz CHWSXRWXEDDLNA-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C(C)C)CC1(C)C ZINC000940811213 716970824 /nfs/dbraw/zinc/97/08/24/716970824.db2.gz CHWSXRWXEDDLNA-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313936 717738494 /nfs/dbraw/zinc/73/84/94/717738494.db2.gz IVVJQLKSSYMPOC-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779248 718905665 /nfs/dbraw/zinc/90/56/65/718905665.db2.gz LRVXTZYJQFKEKJ-BDXSIMOUSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779248 718905670 /nfs/dbraw/zinc/90/56/70/718905670.db2.gz LRVXTZYJQFKEKJ-BDXSIMOUSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779248 718905674 /nfs/dbraw/zinc/90/56/74/718905674.db2.gz LRVXTZYJQFKEKJ-BDXSIMOUSA-N 2 1 317.477 1.378 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC000967926428 719091904 /nfs/dbraw/zinc/09/19/04/719091904.db2.gz VBHYSBKWNIBHGA-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056808 719344632 /nfs/dbraw/zinc/34/46/32/719344632.db2.gz MIPILVPASZLWEO-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948384702 719477104 /nfs/dbraw/zinc/47/71/04/719477104.db2.gz FGXPQTRSNPFNAA-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948384702 719477108 /nfs/dbraw/zinc/47/71/08/719477108.db2.gz FGXPQTRSNPFNAA-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948384702 719477113 /nfs/dbraw/zinc/47/71/13/719477113.db2.gz FGXPQTRSNPFNAA-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434366 719497140 /nfs/dbraw/zinc/49/71/40/719497140.db2.gz BPZFPQRVNDELSI-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434366 719497142 /nfs/dbraw/zinc/49/71/42/719497142.db2.gz BPZFPQRVNDELSI-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434366 719497147 /nfs/dbraw/zinc/49/71/47/719497147.db2.gz BPZFPQRVNDELSI-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378311 719543753 /nfs/dbraw/zinc/54/37/53/719543753.db2.gz PKGBBNFXULSORT-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000968677181 719730241 /nfs/dbraw/zinc/73/02/41/719730241.db2.gz YSGWXLZZPYVZGG-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)CC[C@H]2C)CC1 ZINC000968680536 719733127 /nfs/dbraw/zinc/73/31/27/719733127.db2.gz AZZGUJUKJOSDSJ-SJLPKXTDSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000968914541 719865775 /nfs/dbraw/zinc/86/57/75/719865775.db2.gz WQDRTGRFLFDTMI-QGZVFWFLSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000968920372 719868632 /nfs/dbraw/zinc/86/86/32/719868632.db2.gz SXFSDNXUPWUHIH-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000968920372 719868641 /nfs/dbraw/zinc/86/86/41/719868641.db2.gz SXFSDNXUPWUHIH-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968920372 719868647 /nfs/dbraw/zinc/86/86/47/719868647.db2.gz SXFSDNXUPWUHIH-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000968920372 719868654 /nfs/dbraw/zinc/86/86/54/719868654.db2.gz SXFSDNXUPWUHIH-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970042748 720608813 /nfs/dbraw/zinc/60/88/13/720608813.db2.gz MJCDVSSUSKNDCD-KURKYZTESA-N 2 1 313.445 1.708 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326509 720711510 /nfs/dbraw/zinc/71/15/10/720711510.db2.gz TYWLTFZBMCSIKS-DOTOQJQBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326509 720711513 /nfs/dbraw/zinc/71/15/13/720711513.db2.gz TYWLTFZBMCSIKS-DOTOQJQBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420333 720754638 /nfs/dbraw/zinc/75/46/38/720754638.db2.gz ODFGXDUEIJRDSV-UKRRQHHQSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577678 738425720 /nfs/dbraw/zinc/42/57/20/738425720.db2.gz QMMKJGHFKYPCSO-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577678 738425721 /nfs/dbraw/zinc/42/57/21/738425721.db2.gz QMMKJGHFKYPCSO-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362680 734356855 /nfs/dbraw/zinc/35/68/55/734356855.db2.gz DFOQQEHWOMBQLZ-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001083230532 734556120 /nfs/dbraw/zinc/55/61/20/734556120.db2.gz DWDMXHIMWYBIHM-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930886 738827085 /nfs/dbraw/zinc/82/70/85/738827085.db2.gz WCPPSZSACMPNGS-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027930886 738827092 /nfs/dbraw/zinc/82/70/92/738827092.db2.gz WCPPSZSACMPNGS-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001121402232 782493553 /nfs/dbraw/zinc/49/35/53/782493553.db2.gz IWTHPRUNRUCYOG-UHFFFAOYSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624366 735989570 /nfs/dbraw/zinc/98/95/70/735989570.db2.gz QJWUPXJHAFRGBO-MRXNPFEDSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001024624366 735989574 /nfs/dbraw/zinc/98/95/74/735989574.db2.gz QJWUPXJHAFRGBO-MRXNPFEDSA-N 2 1 317.433 1.949 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087317537 736080324 /nfs/dbraw/zinc/08/03/24/736080324.db2.gz KBFWDHGCKVZVJF-BPQIPLTHSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235477 736459045 /nfs/dbraw/zinc/45/90/45/736459045.db2.gz XXNSWHOKLXQLOU-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468041 736703522 /nfs/dbraw/zinc/70/35/22/736703522.db2.gz HIXMSIOYQWGVKI-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025601021 736777937 /nfs/dbraw/zinc/77/79/37/736777937.db2.gz QMWKXNCCXQJTMB-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794822 737215631 /nfs/dbraw/zinc/21/56/31/737215631.db2.gz HLJXNXKITQIGHX-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001026518624 737631512 /nfs/dbraw/zinc/63/15/12/737631512.db2.gz AKYFPYOLSNCKMM-UHFFFAOYSA-N 2 1 320.437 1.943 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037183 738957471 /nfs/dbraw/zinc/95/74/71/738957471.db2.gz QEAKNWIATXYEMX-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037183 738957474 /nfs/dbraw/zinc/95/74/74/738957474.db2.gz QEAKNWIATXYEMX-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037183 738957476 /nfs/dbraw/zinc/95/74/76/738957476.db2.gz QEAKNWIATXYEMX-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028087871 739014480 /nfs/dbraw/zinc/01/44/80/739014480.db2.gz BAFGXQXRVCHVNC-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028087871 739014485 /nfs/dbraw/zinc/01/44/85/739014485.db2.gz BAFGXQXRVCHVNC-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028087871 739014490 /nfs/dbraw/zinc/01/44/90/739014490.db2.gz BAFGXQXRVCHVNC-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001032590845 751462971 /nfs/dbraw/zinc/46/29/71/751462971.db2.gz AUBLVDNNTAHXGX-XIRDDKMYSA-N 2 1 314.433 1.615 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001032590845 751462973 /nfs/dbraw/zinc/46/29/73/751462973.db2.gz AUBLVDNNTAHXGX-XIRDDKMYSA-N 2 1 314.433 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028551248 739648065 /nfs/dbraw/zinc/64/80/65/739648065.db2.gz KMJRUUMBGNSEQA-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028551248 739648070 /nfs/dbraw/zinc/64/80/70/739648070.db2.gz KMJRUUMBGNSEQA-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028551248 739648073 /nfs/dbraw/zinc/64/80/73/739648073.db2.gz KMJRUUMBGNSEQA-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028551248 739648077 /nfs/dbraw/zinc/64/80/77/739648077.db2.gz KMJRUUMBGNSEQA-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594616 739759212 /nfs/dbraw/zinc/75/92/12/739759212.db2.gz ITOQNWHTJQTMFZ-DOTOQJQBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594616 739759214 /nfs/dbraw/zinc/75/92/14/739759214.db2.gz ITOQNWHTJQTMFZ-DOTOQJQBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594616 739759216 /nfs/dbraw/zinc/75/92/16/739759216.db2.gz ITOQNWHTJQTMFZ-DOTOQJQBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001028641866 739837869 /nfs/dbraw/zinc/83/78/69/739837869.db2.gz MLTKQTIEBBYRIQ-HZPDHXFCSA-N 2 1 316.449 1.850 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766600 740012565 /nfs/dbraw/zinc/01/25/65/740012565.db2.gz WPSXDCHBXRNOFR-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766600 740012572 /nfs/dbraw/zinc/01/25/72/740012572.db2.gz WPSXDCHBXRNOFR-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)[C@H]1CC ZINC001087610297 740675894 /nfs/dbraw/zinc/67/58/94/740675894.db2.gz ALVJUIQAVYIDPI-HGTKMLMNSA-N 2 1 300.406 1.506 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967681 740894559 /nfs/dbraw/zinc/89/45/59/740894559.db2.gz GUHAVAZKWJVFMO-SQNIBIBYSA-N 2 1 317.477 1.685 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3nccn3C)C[C@@H]2C1 ZINC001088050690 740968878 /nfs/dbraw/zinc/96/88/78/740968878.db2.gz RRDKECBYVYWHBA-CVEARBPZSA-N 2 1 314.433 1.156 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130617 741051754 /nfs/dbraw/zinc/05/17/54/741051754.db2.gz XNDPIYNUUCNMBV-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170541 741083737 /nfs/dbraw/zinc/08/37/37/741083737.db2.gz VYWBHGDCUXYJMR-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170541 741083742 /nfs/dbraw/zinc/08/37/42/741083742.db2.gz VYWBHGDCUXYJMR-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170541 741083746 /nfs/dbraw/zinc/08/37/46/741083746.db2.gz VYWBHGDCUXYJMR-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170021 741083878 /nfs/dbraw/zinc/08/38/78/741083878.db2.gz ANKGNVJCIZZRKL-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170021 741083879 /nfs/dbraw/zinc/08/38/79/741083879.db2.gz ANKGNVJCIZZRKL-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170021 741083881 /nfs/dbraw/zinc/08/38/81/741083881.db2.gz ANKGNVJCIZZRKL-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116293 741324228 /nfs/dbraw/zinc/32/42/28/741324228.db2.gz VLFYKTFYQGOUKE-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040116293 741324231 /nfs/dbraw/zinc/32/42/31/741324231.db2.gz VLFYKTFYQGOUKE-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040116293 741324232 /nfs/dbraw/zinc/32/42/32/741324232.db2.gz VLFYKTFYQGOUKE-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076457672 742740799 /nfs/dbraw/zinc/74/07/99/742740799.db2.gz MXYDFVXXPLWVME-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076457672 742740802 /nfs/dbraw/zinc/74/08/02/742740802.db2.gz MXYDFVXXPLWVME-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457672 742740806 /nfs/dbraw/zinc/74/08/06/742740806.db2.gz MXYDFVXXPLWVME-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076457672 742740811 /nfs/dbraw/zinc/74/08/11/742740811.db2.gz MXYDFVXXPLWVME-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705978 751792879 /nfs/dbraw/zinc/79/28/79/751792879.db2.gz INXLKUUBGMKSRA-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181441126 743210925 /nfs/dbraw/zinc/21/09/25/743210925.db2.gz LMCXNNMRSKOZAL-ZIFCJYIRSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185294522 744199766 /nfs/dbraw/zinc/19/97/66/744199766.db2.gz QLHBLPIDJYQIJR-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001098994104 744215899 /nfs/dbraw/zinc/21/58/99/744215899.db2.gz QBFLKINTXDQCPN-JZXOWHBKSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001098994104 744215903 /nfs/dbraw/zinc/21/59/03/744215903.db2.gz QBFLKINTXDQCPN-JZXOWHBKSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098994104 744215905 /nfs/dbraw/zinc/21/59/05/744215905.db2.gz QBFLKINTXDQCPN-JZXOWHBKSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001098994104 744215909 /nfs/dbraw/zinc/21/59/09/744215909.db2.gz QBFLKINTXDQCPN-JZXOWHBKSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203169227 744538032 /nfs/dbraw/zinc/53/80/32/744538032.db2.gz QKTHPDUIMZFBNM-GJZGRUSLSA-N 2 1 300.406 1.232 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001188362157 744694673 /nfs/dbraw/zinc/69/46/73/744694673.db2.gz ZRWOTJGLUQOTCK-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001188362157 744694676 /nfs/dbraw/zinc/69/46/76/744694676.db2.gz ZRWOTJGLUQOTCK-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992496907 744918702 /nfs/dbraw/zinc/91/87/02/744918702.db2.gz OMNXIJLRTDAELV-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992496907 744918705 /nfs/dbraw/zinc/91/87/05/744918705.db2.gz OMNXIJLRTDAELV-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992496907 744918708 /nfs/dbraw/zinc/91/87/08/744918708.db2.gz OMNXIJLRTDAELV-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992496907 744918711 /nfs/dbraw/zinc/91/87/11/744918711.db2.gz OMNXIJLRTDAELV-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654296 745285578 /nfs/dbraw/zinc/28/55/78/745285578.db2.gz JKUJFSGGEXIANI-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190654296 745285583 /nfs/dbraw/zinc/28/55/83/745285583.db2.gz JKUJFSGGEXIANI-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001192153024 745702177 /nfs/dbraw/zinc/70/21/77/745702177.db2.gz LADHACYLWHMQGH-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192654652 745847062 /nfs/dbraw/zinc/84/70/62/745847062.db2.gz HGBKDFCPUVRRFQ-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106665294 745884850 /nfs/dbraw/zinc/88/48/50/745884850.db2.gz QSKKZFYZCYGNIL-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917758 745928098 /nfs/dbraw/zinc/92/80/98/745928098.db2.gz SRMVGPDALOIDEE-DLBZAZTESA-N 2 1 307.482 1.909 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993535033 746201861 /nfs/dbraw/zinc/20/18/61/746201861.db2.gz SKHYOWISWQPEGE-PBHICJAKSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993535033 746201864 /nfs/dbraw/zinc/20/18/64/746201864.db2.gz SKHYOWISWQPEGE-PBHICJAKSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](F)CC)C2)CC1 ZINC001194246869 746319991 /nfs/dbraw/zinc/31/99/91/746319991.db2.gz SBGQOUYRVHXZLS-IAGOWNOFSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC000994501098 746697479 /nfs/dbraw/zinc/69/74/79/746697479.db2.gz SDCLKYFWGYUUTR-SJLPKXTDSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCCOC)CC1 ZINC001196191666 746787763 /nfs/dbraw/zinc/78/77/63/746787763.db2.gz KTDOBKNLWOVOBC-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCCOC)CC1 ZINC001196191666 746787765 /nfs/dbraw/zinc/78/77/65/746787765.db2.gz KTDOBKNLWOVOBC-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCOC)CC1 ZINC001196191666 746787767 /nfs/dbraw/zinc/78/77/67/746787767.db2.gz KTDOBKNLWOVOBC-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCOC)CC1 ZINC001196191666 746787769 /nfs/dbraw/zinc/78/77/69/746787769.db2.gz KTDOBKNLWOVOBC-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655110 746924069 /nfs/dbraw/zinc/92/40/69/746924069.db2.gz AHAOHWJMYKDGAL-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655110 746924074 /nfs/dbraw/zinc/92/40/74/746924074.db2.gz AHAOHWJMYKDGAL-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(C[C@@H](F)CC)CC1 ZINC001003055577 746945663 /nfs/dbraw/zinc/94/56/63/746945663.db2.gz IVVAEKWRNVGNEZ-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089537184 747166844 /nfs/dbraw/zinc/16/68/44/747166844.db2.gz KHPIHYULAOKBOV-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537184 747166849 /nfs/dbraw/zinc/16/68/49/747166849.db2.gz KHPIHYULAOKBOV-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537184 747166852 /nfs/dbraw/zinc/16/68/52/747166852.db2.gz KHPIHYULAOKBOV-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099355008 747234200 /nfs/dbraw/zinc/23/42/00/747234200.db2.gz WTYMDMGCQAJFHA-INIZCTEOSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099355008 747234206 /nfs/dbraw/zinc/23/42/06/747234206.db2.gz WTYMDMGCQAJFHA-INIZCTEOSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099355008 747234207 /nfs/dbraw/zinc/23/42/07/747234207.db2.gz WTYMDMGCQAJFHA-INIZCTEOSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001198190681 747415537 /nfs/dbraw/zinc/41/55/37/747415537.db2.gz QQNMOOARKZJZMB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001198190681 747415541 /nfs/dbraw/zinc/41/55/41/747415541.db2.gz QQNMOOARKZJZMB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001198190681 747415546 /nfs/dbraw/zinc/41/55/46/747415546.db2.gz QQNMOOARKZJZMB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001198190681 747415550 /nfs/dbraw/zinc/41/55/50/747415550.db2.gz QQNMOOARKZJZMB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364463 747465285 /nfs/dbraw/zinc/46/52/85/747465285.db2.gz VNZLPNYAVVFSHH-UHFFFAOYSA-N 2 1 305.466 1.810 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198364463 747465289 /nfs/dbraw/zinc/46/52/89/747465289.db2.gz VNZLPNYAVVFSHH-UHFFFAOYSA-N 2 1 305.466 1.810 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001089624499 747491635 /nfs/dbraw/zinc/49/16/35/747491635.db2.gz FIHGTAKOAHZYCD-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089624499 747491639 /nfs/dbraw/zinc/49/16/39/747491639.db2.gz FIHGTAKOAHZYCD-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089624499 747491645 /nfs/dbraw/zinc/49/16/45/747491645.db2.gz FIHGTAKOAHZYCD-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089624499 747491655 /nfs/dbraw/zinc/49/16/55/747491655.db2.gz FIHGTAKOAHZYCD-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685316 747655036 /nfs/dbraw/zinc/65/50/36/747655036.db2.gz BFNZZEIHRGBGIB-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685316 747655039 /nfs/dbraw/zinc/65/50/39/747655039.db2.gz BFNZZEIHRGBGIB-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001089820528 747971599 /nfs/dbraw/zinc/97/15/99/747971599.db2.gz NLSBQEUILGDFQZ-QAETUUGQSA-N 2 1 315.461 1.273 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCO1 ZINC001200864929 748364346 /nfs/dbraw/zinc/36/43/46/748364346.db2.gz GTYSFDDYJFMGKK-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201043686 748406061 /nfs/dbraw/zinc/40/60/61/748406061.db2.gz GUFRDCMBEWMBBC-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201557768 748544782 /nfs/dbraw/zinc/54/47/82/748544782.db2.gz KHZVJXVRRMYSFX-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864405 748614665 /nfs/dbraw/zinc/61/46/65/748614665.db2.gz WJXVUTDUDQKULM-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202196368 748708987 /nfs/dbraw/zinc/70/89/87/748708987.db2.gz AVKOJMBLGWGENF-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032182165 748775470 /nfs/dbraw/zinc/77/54/70/748775470.db2.gz FYDRQCHAJGLEFC-QGZVFWFLSA-N 2 1 312.417 1.058 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032182165 748775476 /nfs/dbraw/zinc/77/54/76/748775476.db2.gz FYDRQCHAJGLEFC-QGZVFWFLSA-N 2 1 312.417 1.058 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114404765 749167124 /nfs/dbraw/zinc/16/71/24/749167124.db2.gz GZNIEUSPYHMERB-CAOSSQGBSA-N 2 1 305.466 1.872 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033471669 749380775 /nfs/dbraw/zinc/38/07/75/749380775.db2.gz NRFOBJZOEIJVBU-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033471669 749380779 /nfs/dbraw/zinc/38/07/79/749380779.db2.gz NRFOBJZOEIJVBU-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033471669 749380783 /nfs/dbraw/zinc/38/07/83/749380783.db2.gz NRFOBJZOEIJVBU-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033471669 749380786 /nfs/dbraw/zinc/38/07/86/749380786.db2.gz NRFOBJZOEIJVBU-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996201108 749432419 /nfs/dbraw/zinc/43/24/19/749432419.db2.gz CWCAQBPYVWBSGO-HOCLYGCPSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343364 761958100 /nfs/dbraw/zinc/95/81/00/761958100.db2.gz POAYAEQOLUQOFR-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343364 761958105 /nfs/dbraw/zinc/95/81/05/761958105.db2.gz POAYAEQOLUQOFR-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343364 761958111 /nfs/dbraw/zinc/95/81/11/761958111.db2.gz POAYAEQOLUQOFR-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001095499279 749972884 /nfs/dbraw/zinc/97/28/84/749972884.db2.gz XGIZRBSXJLIVDE-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001095499279 749972887 /nfs/dbraw/zinc/97/28/87/749972887.db2.gz XGIZRBSXJLIVDE-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001095499279 749972896 /nfs/dbraw/zinc/97/28/96/749972896.db2.gz XGIZRBSXJLIVDE-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001095499279 749972901 /nfs/dbraw/zinc/97/29/01/749972901.db2.gz XGIZRBSXJLIVDE-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613880 750242940 /nfs/dbraw/zinc/24/29/40/750242940.db2.gz DIQYCOMMBBHWHN-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997129069 750538099 /nfs/dbraw/zinc/53/80/99/750538099.db2.gz SUMWFZWDTGMHRH-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC#CC)CC1 ZINC000997624019 751164214 /nfs/dbraw/zinc/16/42/14/751164214.db2.gz KEZZTCUOTZUZJG-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC#CC)CC1 ZINC000997624019 751164217 /nfs/dbraw/zinc/16/42/17/751164217.db2.gz KEZZTCUOTZUZJG-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095911970 751253794 /nfs/dbraw/zinc/25/37/94/751253794.db2.gz CBLZHZRPVLHMAU-LTIDMASMSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001095911970 751253796 /nfs/dbraw/zinc/25/37/96/751253796.db2.gz CBLZHZRPVLHMAU-LTIDMASMSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095911970 751253801 /nfs/dbraw/zinc/25/38/01/751253801.db2.gz CBLZHZRPVLHMAU-LTIDMASMSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095911970 751253804 /nfs/dbraw/zinc/25/38/04/751253804.db2.gz CBLZHZRPVLHMAU-LTIDMASMSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035194319 751293699 /nfs/dbraw/zinc/29/36/99/751293699.db2.gz ZXXIYPHUQKKFBP-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001036293271 752332020 /nfs/dbraw/zinc/33/20/20/752332020.db2.gz IKPVSVUAXCEEND-SMDDNHRTSA-N 2 1 310.829 1.771 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008279858 752650616 /nfs/dbraw/zinc/65/06/16/752650616.db2.gz KDFCHKMPKUODEM-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008279858 752650622 /nfs/dbraw/zinc/65/06/22/752650622.db2.gz KDFCHKMPKUODEM-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279858 752650628 /nfs/dbraw/zinc/65/06/28/752650628.db2.gz KDFCHKMPKUODEM-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279858 752650632 /nfs/dbraw/zinc/65/06/32/752650632.db2.gz KDFCHKMPKUODEM-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)CC1 ZINC001032700095 752741712 /nfs/dbraw/zinc/74/17/12/752741712.db2.gz FPXRINYELHMVFX-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108032651 753807501 /nfs/dbraw/zinc/80/75/01/753807501.db2.gz CXFQCAALEJNWIX-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032651 753807503 /nfs/dbraw/zinc/80/75/03/753807503.db2.gz CXFQCAALEJNWIX-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108032651 753807510 /nfs/dbraw/zinc/80/75/10/753807510.db2.gz CXFQCAALEJNWIX-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850671 755621649 /nfs/dbraw/zinc/62/16/49/755621649.db2.gz QKWXDAVVWVIVMV-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850671 755621654 /nfs/dbraw/zinc/62/16/54/755621654.db2.gz QKWXDAVVWVIVMV-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850671 755621660 /nfs/dbraw/zinc/62/16/60/755621660.db2.gz QKWXDAVVWVIVMV-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014436202 755734575 /nfs/dbraw/zinc/73/45/75/755734575.db2.gz PAVQWSGBUPATGB-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014436202 755734577 /nfs/dbraw/zinc/73/45/77/755734577.db2.gz PAVQWSGBUPATGB-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014436202 755734579 /nfs/dbraw/zinc/73/45/79/755734579.db2.gz PAVQWSGBUPATGB-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014436202 755734581 /nfs/dbraw/zinc/73/45/81/755734581.db2.gz PAVQWSGBUPATGB-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711625 755902728 /nfs/dbraw/zinc/90/27/28/755902728.db2.gz OYENVRKUTCJACF-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711625 755902732 /nfs/dbraw/zinc/90/27/32/755902732.db2.gz OYENVRKUTCJACF-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711625 755902735 /nfs/dbraw/zinc/90/27/35/755902735.db2.gz OYENVRKUTCJACF-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001016335856 756934651 /nfs/dbraw/zinc/93/46/51/756934651.db2.gz GMDJNEDUICAFQR-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001016688672 757268959 /nfs/dbraw/zinc/26/89/59/757268959.db2.gz ULNFQXKOBMTGAJ-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702297 757280785 /nfs/dbraw/zinc/28/07/85/757280785.db2.gz NYRCCEMELLCKTL-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347515 757506276 /nfs/dbraw/zinc/50/62/76/757506276.db2.gz SQZMKGURVHWOOM-IXDOHACOSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765002 757740590 /nfs/dbraw/zinc/74/05/90/757740590.db2.gz VDXYOEAEVBWKDO-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857861 757885545 /nfs/dbraw/zinc/88/55/45/757885545.db2.gz WENXSBUSVVCCQM-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944510 758084411 /nfs/dbraw/zinc/08/44/11/758084411.db2.gz RQKJVUQVOKYDHS-TWMKSMIVSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944510 758084424 /nfs/dbraw/zinc/08/44/24/758084424.db2.gz RQKJVUQVOKYDHS-TWMKSMIVSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944510 758084436 /nfs/dbraw/zinc/08/44/36/758084436.db2.gz RQKJVUQVOKYDHS-TWMKSMIVSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017656379 758125242 /nfs/dbraw/zinc/12/52/42/758125242.db2.gz NEGZUWJLLGYHND-CALCHBBNSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017656379 758125249 /nfs/dbraw/zinc/12/52/49/758125249.db2.gz NEGZUWJLLGYHND-CALCHBBNSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094264 758232593 /nfs/dbraw/zinc/23/25/93/758232593.db2.gz LXWQEEZVNIGGNX-ZACQAIPSSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429257 758455820 /nfs/dbraw/zinc/45/58/20/758455820.db2.gz JSJWMGMURTZTPP-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429257 758455825 /nfs/dbraw/zinc/45/58/25/758455825.db2.gz JSJWMGMURTZTPP-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018174667 758602503 /nfs/dbraw/zinc/60/25/03/758602503.db2.gz FTLZZBNKLPDSFC-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018174667 758602511 /nfs/dbraw/zinc/60/25/11/758602511.db2.gz FTLZZBNKLPDSFC-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040708277 762656660 /nfs/dbraw/zinc/65/66/60/762656660.db2.gz TTWOGKXRUZHPBF-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CO2 ZINC001053806894 758834623 /nfs/dbraw/zinc/83/46/23/758834623.db2.gz UOJXSKWYZAFQJQ-OWCLPIDISA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CO2 ZINC001053806894 758834630 /nfs/dbraw/zinc/83/46/30/758834630.db2.gz UOJXSKWYZAFQJQ-OWCLPIDISA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054146222 759223900 /nfs/dbraw/zinc/22/39/00/759223900.db2.gz AOQYHLYKJYUEIT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146222 759223907 /nfs/dbraw/zinc/22/39/07/759223907.db2.gz AOQYHLYKJYUEIT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146222 759223911 /nfs/dbraw/zinc/22/39/11/759223911.db2.gz AOQYHLYKJYUEIT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197607 759283018 /nfs/dbraw/zinc/28/30/18/759283018.db2.gz FSRKDVSFFZLSGV-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197607 759283026 /nfs/dbraw/zinc/28/30/26/759283026.db2.gz FSRKDVSFFZLSGV-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197607 759283034 /nfs/dbraw/zinc/28/30/34/759283034.db2.gz FSRKDVSFFZLSGV-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197929 759283891 /nfs/dbraw/zinc/28/38/91/759283891.db2.gz LXPXVQHMRMDAMD-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197929 759283894 /nfs/dbraw/zinc/28/38/94/759283894.db2.gz LXPXVQHMRMDAMD-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197929 759283898 /nfs/dbraw/zinc/28/38/98/759283898.db2.gz LXPXVQHMRMDAMD-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001054910828 760178191 /nfs/dbraw/zinc/17/81/91/760178191.db2.gz GFLYKJRHDZZBMX-UKRRQHHQSA-N 2 1 302.422 1.384 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156697 760632497 /nfs/dbraw/zinc/63/24/97/760632497.db2.gz WSHXMNFEBWPFDJ-JYJNAYRXSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC3CC3)C2)CC1 ZINC001046850331 767983357 /nfs/dbraw/zinc/98/33/57/767983357.db2.gz SMFQWKZSJGQGHB-LJQANCHMSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038260042 760954959 /nfs/dbraw/zinc/95/49/59/760954959.db2.gz LXHVRWFYGWMKPO-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038903784 761528640 /nfs/dbraw/zinc/52/86/40/761528640.db2.gz DNFSGBUDAFEIGW-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082565 761600435 /nfs/dbraw/zinc/60/04/35/761600435.db2.gz DTXODEGSLIXONV-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082565 761600439 /nfs/dbraw/zinc/60/04/39/761600439.db2.gz DTXODEGSLIXONV-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082565 761600446 /nfs/dbraw/zinc/60/04/46/761600446.db2.gz DTXODEGSLIXONV-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC001000332845 761648974 /nfs/dbraw/zinc/64/89/74/761648974.db2.gz MARKDYYITLCECH-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242831 761880704 /nfs/dbraw/zinc/88/07/04/761880704.db2.gz RKXWDGPUCOOYRA-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041168599 762853488 /nfs/dbraw/zinc/85/34/88/762853488.db2.gz WQSUNEFTIHDNJQ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041168599 762853499 /nfs/dbraw/zinc/85/34/99/762853499.db2.gz WQSUNEFTIHDNJQ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041168599 762853504 /nfs/dbraw/zinc/85/35/04/762853504.db2.gz WQSUNEFTIHDNJQ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041168599 762853515 /nfs/dbraw/zinc/85/35/15/762853515.db2.gz WQSUNEFTIHDNJQ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001001467215 762889389 /nfs/dbraw/zinc/88/93/89/762889389.db2.gz HMIKWEGXDHVXHO-UHFFFAOYSA-N 2 1 311.429 1.743 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108766537 762926141 /nfs/dbraw/zinc/92/61/41/762926141.db2.gz ZPHHKCWGLGQGJJ-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001001521048 762934343 /nfs/dbraw/zinc/93/43/43/762934343.db2.gz HDDOFSXZMJCLRA-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041358448 762978195 /nfs/dbraw/zinc/97/81/95/762978195.db2.gz OGQKUBYMNSTNLF-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041358448 762978196 /nfs/dbraw/zinc/97/81/96/762978196.db2.gz OGQKUBYMNSTNLF-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041358448 762978198 /nfs/dbraw/zinc/97/81/98/762978198.db2.gz OGQKUBYMNSTNLF-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCCF)C2)C1 ZINC001041368870 762983773 /nfs/dbraw/zinc/98/37/73/762983773.db2.gz RDBBPPZTVOASFX-FUHWJXTLSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001041368870 762983778 /nfs/dbraw/zinc/98/37/78/762983778.db2.gz RDBBPPZTVOASFX-FUHWJXTLSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC001041368870 762983782 /nfs/dbraw/zinc/98/37/82/762983782.db2.gz RDBBPPZTVOASFX-FUHWJXTLSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCF)C2)C1 ZINC001041368870 762983786 /nfs/dbraw/zinc/98/37/86/762983786.db2.gz RDBBPPZTVOASFX-FUHWJXTLSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041441442 763033861 /nfs/dbraw/zinc/03/38/61/763033861.db2.gz YPIMUZXBOOFPRF-SFHVURJKSA-N 2 1 315.461 1.563 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068652 763085562 /nfs/dbraw/zinc/08/55/62/763085562.db2.gz BSXUWGVICMKBLY-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068652 763085567 /nfs/dbraw/zinc/08/55/67/763085567.db2.gz BSXUWGVICMKBLY-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001050068652 763085574 /nfs/dbraw/zinc/08/55/74/763085574.db2.gz BSXUWGVICMKBLY-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001131380717 768105597 /nfs/dbraw/zinc/10/55/97/768105597.db2.gz XVEBYRDICNGYNP-UHFFFAOYSA-N 2 1 315.352 1.108 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587194 763160892 /nfs/dbraw/zinc/16/08/92/763160892.db2.gz OYMVVHABJQEOGT-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587194 763160898 /nfs/dbraw/zinc/16/08/98/763160898.db2.gz OYMVVHABJQEOGT-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587194 763160904 /nfs/dbraw/zinc/16/09/04/763160904.db2.gz OYMVVHABJQEOGT-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050118377 763164411 /nfs/dbraw/zinc/16/44/11/763164411.db2.gz BDXBSJKWGUULOO-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001050118377 763164415 /nfs/dbraw/zinc/16/44/15/763164415.db2.gz BDXBSJKWGUULOO-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001050118377 763164418 /nfs/dbraw/zinc/16/44/18/763164418.db2.gz BDXBSJKWGUULOO-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041680269 763218185 /nfs/dbraw/zinc/21/81/85/763218185.db2.gz QPYKCRKCWRVZHN-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041680269 763218197 /nfs/dbraw/zinc/21/81/97/763218197.db2.gz QPYKCRKCWRVZHN-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041680269 763218204 /nfs/dbraw/zinc/21/82/04/763218204.db2.gz QPYKCRKCWRVZHN-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386936 763473100 /nfs/dbraw/zinc/47/31/00/763473100.db2.gz QXTYSXGEJCAJGD-MRXNPFEDSA-N 2 1 321.469 1.266 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094785 763642607 /nfs/dbraw/zinc/64/26/07/763642607.db2.gz XFXADGOHUMNZBO-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968948 768159413 /nfs/dbraw/zinc/15/94/13/768159413.db2.gz RIWZJLPIKCPQCJ-AWEZNQCLSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968948 768159415 /nfs/dbraw/zinc/15/94/15/768159415.db2.gz RIWZJLPIKCPQCJ-AWEZNQCLSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664952 763890320 /nfs/dbraw/zinc/89/03/20/763890320.db2.gz TXLBDMMVKJZSEC-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131587983 768197170 /nfs/dbraw/zinc/19/71/70/768197170.db2.gz JSOJVHVBSAZUEI-AEFFLSMTSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090436888 764385312 /nfs/dbraw/zinc/38/53/12/764385312.db2.gz WOZHIRPAJQOGLH-CVEARBPZSA-N 2 1 314.389 1.075 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579209 764423113 /nfs/dbraw/zinc/42/31/13/764423113.db2.gz BWMMCLJJLCOZTP-WMZOPIPTSA-N 2 1 316.449 1.986 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131692184 768274911 /nfs/dbraw/zinc/27/49/11/768274911.db2.gz FLPPVGCDJWVLRR-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384222 765779140 /nfs/dbraw/zinc/77/91/40/765779140.db2.gz BCGAVCZHRJZTBF-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045439099 766307485 /nfs/dbraw/zinc/30/74/85/766307485.db2.gz ZEOCNFFHTIHUDP-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533843 766383728 /nfs/dbraw/zinc/38/37/28/766383728.db2.gz YQSSCUDCRIMHLW-MRXNPFEDSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533843 766383739 /nfs/dbraw/zinc/38/37/39/766383739.db2.gz YQSSCUDCRIMHLW-MRXNPFEDSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062207 766875187 /nfs/dbraw/zinc/87/51/87/766875187.db2.gz CNOVOLBMZAURDO-IRXDYDNUSA-N 2 1 322.497 1.121 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071606333 769703367 /nfs/dbraw/zinc/70/33/67/769703367.db2.gz HYHCJKGRRXNLMQ-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071650267 769796670 /nfs/dbraw/zinc/79/66/70/769796670.db2.gz AICQTKJKAKZOSR-ZBFHGGJFSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830437 769956821 /nfs/dbraw/zinc/95/68/21/769956821.db2.gz OHECOPLDYAPRGZ-VVLHAWIVSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830437 769956827 /nfs/dbraw/zinc/95/68/27/769956827.db2.gz OHECOPLDYAPRGZ-VVLHAWIVSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830437 769956833 /nfs/dbraw/zinc/95/68/33/769956833.db2.gz OHECOPLDYAPRGZ-VVLHAWIVSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC[C@@H](C)F)C[C@@H]2C1 ZINC001048870010 770021853 /nfs/dbraw/zinc/02/18/53/770021853.db2.gz KRPUAMIUXWMZEG-NCOADZHNSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC[C@@H](C)F)C[C@@H]2C1 ZINC001048870010 770021866 /nfs/dbraw/zinc/02/18/66/770021866.db2.gz KRPUAMIUXWMZEG-NCOADZHNSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC[C@@H](C)F)C[C@@H]2C1 ZINC001048870010 770021878 /nfs/dbraw/zinc/02/18/78/770021878.db2.gz KRPUAMIUXWMZEG-NCOADZHNSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC[C@@H](C)F)C[C@@H]2C1 ZINC001048870010 770021891 /nfs/dbraw/zinc/02/18/91/770021891.db2.gz KRPUAMIUXWMZEG-NCOADZHNSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071871704 770204897 /nfs/dbraw/zinc/20/48/97/770204897.db2.gz JQFRAAREFSKKIS-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001133834361 770320549 /nfs/dbraw/zinc/32/05/49/770320549.db2.gz VLDQZVHBOCCCRP-HNNXBMFYSA-N 2 1 317.408 1.367 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001133866046 770383971 /nfs/dbraw/zinc/38/39/71/770383971.db2.gz GUPHAONWSPZHTO-WFASDCNBSA-N 2 1 318.396 1.101 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107319 770390382 /nfs/dbraw/zinc/39/03/82/770390382.db2.gz DTRRQJMWTLSALO-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107319 770390391 /nfs/dbraw/zinc/39/03/91/770390391.db2.gz DTRRQJMWTLSALO-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107319 770390400 /nfs/dbraw/zinc/39/04/00/770390400.db2.gz DTRRQJMWTLSALO-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049914908 771254263 /nfs/dbraw/zinc/25/42/63/771254263.db2.gz SFFVGSUDHSZHRF-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049917870 771258004 /nfs/dbraw/zinc/25/80/04/771258004.db2.gz IUXJYLRKDSJBAI-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085293 771616494 /nfs/dbraw/zinc/61/64/94/771616494.db2.gz BPJGKJHSTGNUKO-VQHPVUNQSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001147291187 773102753 /nfs/dbraw/zinc/10/27/53/773102753.db2.gz LNLQSKSOOMTGOQ-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001147291187 773102754 /nfs/dbraw/zinc/10/27/54/773102754.db2.gz LNLQSKSOOMTGOQ-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[NH+]3C2)CC1 ZINC001147291187 773102758 /nfs/dbraw/zinc/10/27/58/773102758.db2.gz LNLQSKSOOMTGOQ-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[NH+]3C2)CC1 ZINC001147291187 773102761 /nfs/dbraw/zinc/10/27/61/773102761.db2.gz LNLQSKSOOMTGOQ-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661595 773275112 /nfs/dbraw/zinc/27/51/12/773275112.db2.gz AUGWZIURSNROKR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661595 773275116 /nfs/dbraw/zinc/27/51/16/773275116.db2.gz AUGWZIURSNROKR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661595 773275122 /nfs/dbraw/zinc/27/51/22/773275122.db2.gz AUGWZIURSNROKR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677027 773346262 /nfs/dbraw/zinc/34/62/62/773346262.db2.gz JBFPRXZSJYBLBY-NUJGCVRESA-N 2 1 303.450 1.295 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436154 773466766 /nfs/dbraw/zinc/46/67/66/773466766.db2.gz KNLQBRLSMSOWIS-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148436154 773466771 /nfs/dbraw/zinc/46/67/71/773466771.db2.gz KNLQBRLSMSOWIS-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731645 773527936 /nfs/dbraw/zinc/52/79/36/773527936.db2.gz RWMKUUZHPVARHQ-SCTDSRPQSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731645 773527940 /nfs/dbraw/zinc/52/79/40/773527940.db2.gz RWMKUUZHPVARHQ-SCTDSRPQSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731645 773527942 /nfs/dbraw/zinc/52/79/42/773527942.db2.gz RWMKUUZHPVARHQ-SCTDSRPQSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738429 773555068 /nfs/dbraw/zinc/55/50/68/773555068.db2.gz XOVUNOPWJBGMDO-VKJFTORMSA-N 2 1 314.433 1.727 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738429 773555074 /nfs/dbraw/zinc/55/50/74/773555074.db2.gz XOVUNOPWJBGMDO-VKJFTORMSA-N 2 1 314.433 1.727 20 30 DDEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092758080 774251681 /nfs/dbraw/zinc/25/16/81/774251681.db2.gz NXOJORFZZXPOFJ-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092758080 774251686 /nfs/dbraw/zinc/25/16/86/774251686.db2.gz NXOJORFZZXPOFJ-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092758080 774251690 /nfs/dbraw/zinc/25/16/90/774251690.db2.gz NXOJORFZZXPOFJ-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001098190320 774510166 /nfs/dbraw/zinc/51/01/66/774510166.db2.gz AJQVZOAKFAYAGO-BDXSIMOUSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001098190320 774510169 /nfs/dbraw/zinc/51/01/69/774510169.db2.gz AJQVZOAKFAYAGO-BDXSIMOUSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098190320 774510173 /nfs/dbraw/zinc/51/01/73/774510173.db2.gz AJQVZOAKFAYAGO-BDXSIMOUSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001098190320 774510174 /nfs/dbraw/zinc/51/01/74/774510174.db2.gz AJQVZOAKFAYAGO-BDXSIMOUSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001093217700 774531669 /nfs/dbraw/zinc/53/16/69/774531669.db2.gz IQOXEZFSSXQHEZ-CRAIPNDOSA-N 2 1 313.445 1.679 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810193 774694999 /nfs/dbraw/zinc/69/49/99/774694999.db2.gz XJAJJMVWVVFMHW-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036835466 774809798 /nfs/dbraw/zinc/80/97/98/774809798.db2.gz ASCOUNWCRBRWCB-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125737 774852223 /nfs/dbraw/zinc/85/22/23/774852223.db2.gz JXNSPUTVLLNVFV-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001099309944 774941531 /nfs/dbraw/zinc/94/15/31/774941531.db2.gz HGXPPCFDDIEXSQ-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539247 775021491 /nfs/dbraw/zinc/02/14/91/775021491.db2.gz ZSBYQMISHNGXIX-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149330 775101726 /nfs/dbraw/zinc/10/17/26/775101726.db2.gz BTOQXQBYNJSZHV-IKGGRYGDSA-N 2 1 303.450 1.607 20 30 DDEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989874 775532913 /nfs/dbraw/zinc/53/29/13/775532913.db2.gz UZGSEZHZRJTMNF-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449107 775887129 /nfs/dbraw/zinc/88/71/29/775887129.db2.gz IDRCAJYJWBREGX-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094449107 775887138 /nfs/dbraw/zinc/88/71/38/775887138.db2.gz IDRCAJYJWBREGX-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094449107 775887146 /nfs/dbraw/zinc/88/71/46/775887146.db2.gz IDRCAJYJWBREGX-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC=C)C2)CC1 ZINC001036902594 776077018 /nfs/dbraw/zinc/07/70/18/776077018.db2.gz MRIYKQCVAIWLFL-ZWKOTPCHSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406917 776110488 /nfs/dbraw/zinc/11/04/88/776110488.db2.gz RBLKMEZRENEYSW-JCYILVPMSA-N 2 1 305.466 1.757 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396823 778842325 /nfs/dbraw/zinc/84/23/25/778842325.db2.gz LFDGQYXERVBVNX-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371335 779363559 /nfs/dbraw/zinc/36/35/59/779363559.db2.gz OKLALHPJDVQNEG-KRWDZBQOSA-N 2 1 323.481 1.385 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104210922 779374450 /nfs/dbraw/zinc/37/44/50/779374450.db2.gz IYLZIEVSXGKMLS-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCCCC1 ZINC001115691336 780350210 /nfs/dbraw/zinc/35/02/10/780350210.db2.gz TZMHTDXZUMUEDJ-MRXNPFEDSA-N 2 1 323.481 1.690 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001115773144 780418995 /nfs/dbraw/zinc/41/89/95/780418995.db2.gz OKJSYMRNTRVGLP-UHFFFAOYSA-N 2 1 321.465 1.141 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267278797 837730294 /nfs/dbraw/zinc/73/02/94/837730294.db2.gz QSCQRKLBLOESFJ-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001267282303 837738783 /nfs/dbraw/zinc/73/87/83/837738783.db2.gz CFRHJJYNJYNHOE-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001267282303 837738792 /nfs/dbraw/zinc/73/87/92/837738792.db2.gz CFRHJJYNJYNHOE-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001267282303 837738802 /nfs/dbraw/zinc/73/88/02/837738802.db2.gz CFRHJJYNJYNHOE-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001267282303 837738811 /nfs/dbraw/zinc/73/88/11/837738811.db2.gz CFRHJJYNJYNHOE-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266496040 836348712 /nfs/dbraw/zinc/34/87/12/836348712.db2.gz ZOJMXDJVPZPZOO-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC/C=C/CC)C1 ZINC001266517940 836401231 /nfs/dbraw/zinc/40/12/31/836401231.db2.gz QCKMWAQPHVHHPN-VGRIIWOTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001266517940 836401234 /nfs/dbraw/zinc/40/12/34/836401234.db2.gz QCKMWAQPHVHHPN-VGRIIWOTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC/C=C/CC)C1 ZINC001266517940 836401241 /nfs/dbraw/zinc/40/12/41/836401241.db2.gz QCKMWAQPHVHHPN-VGRIIWOTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC/C=C/CC)C1 ZINC001266517940 836401243 /nfs/dbraw/zinc/40/12/43/836401243.db2.gz QCKMWAQPHVHHPN-VGRIIWOTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266713011 836712148 /nfs/dbraw/zinc/71/21/48/836712148.db2.gz MERCSTDOHGNXDL-JKIFEVAISA-N 2 1 309.429 1.459 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266768157 836801327 /nfs/dbraw/zinc/80/13/27/836801327.db2.gz ZRVIUPZYLUWCDL-IAGOWNOFSA-N 2 1 323.481 1.051 20 30 DDEDMP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267086279 837314890 /nfs/dbraw/zinc/31/48/90/837314890.db2.gz UFFCTJGMDBZYCQ-UONOGXRCSA-N 2 1 320.437 1.943 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267548136 838286178 /nfs/dbraw/zinc/28/61/78/838286178.db2.gz ZFIGQCPHGPTTJP-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267548136 838286187 /nfs/dbraw/zinc/28/61/87/838286187.db2.gz ZFIGQCPHGPTTJP-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267548136 838286189 /nfs/dbraw/zinc/28/61/89/838286189.db2.gz ZFIGQCPHGPTTJP-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576813 838346712 /nfs/dbraw/zinc/34/67/12/838346712.db2.gz YXVLOPFPVIQSLQ-MRXNPFEDSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576813 838346719 /nfs/dbraw/zinc/34/67/19/838346719.db2.gz YXVLOPFPVIQSLQ-MRXNPFEDSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267585410 838368414 /nfs/dbraw/zinc/36/84/14/838368414.db2.gz VIWJLCDTQVQKQK-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001267871224 839106179 /nfs/dbraw/zinc/10/61/79/839106179.db2.gz DFWVGVAHRNWIAI-YJBOKZPZSA-N 2 1 316.449 1.870 20 30 DDEDMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268104613 839693855 /nfs/dbraw/zinc/69/38/55/839693855.db2.gz JLLGRJMXQGBBRN-YESZJQIVSA-N 2 1 307.482 1.861 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC#CCOC ZINC001268776937 840783636 /nfs/dbraw/zinc/78/36/36/840783636.db2.gz RZKUDODCAZPUPF-IAGOWNOFSA-N 2 1 323.481 1.243 20 30 DDEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268847423 840897096 /nfs/dbraw/zinc/89/70/96/840897096.db2.gz HONSTKRDGUTSAK-AWEZNQCLSA-N 2 1 324.856 1.945 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC(=C)C)CC1 ZINC001270364619 842517389 /nfs/dbraw/zinc/51/73/89/842517389.db2.gz SQNOLAZKYHIJDC-QGZVFWFLSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001271101812 843215970 /nfs/dbraw/zinc/21/59/70/843215970.db2.gz VICWWBRKTUHBIJ-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001271101812 843215975 /nfs/dbraw/zinc/21/59/75/843215975.db2.gz VICWWBRKTUHBIJ-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001271101812 843215981 /nfs/dbraw/zinc/21/59/81/843215981.db2.gz VICWWBRKTUHBIJ-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001271101812 843215987 /nfs/dbraw/zinc/21/59/87/843215987.db2.gz VICWWBRKTUHBIJ-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001271424195 843578703 /nfs/dbraw/zinc/57/87/03/843578703.db2.gz CNCGYYDMXFDJBP-HOTGVXAUSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001328810897 863243546 /nfs/dbraw/zinc/24/35/46/863243546.db2.gz ZIFPJDNIMPUYOY-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001328810897 863243559 /nfs/dbraw/zinc/24/35/59/863243559.db2.gz ZIFPJDNIMPUYOY-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212353504 847413283 /nfs/dbraw/zinc/41/32/83/847413283.db2.gz TWEOGXNEUOQSLC-RBSFLKMASA-N 2 1 315.433 1.058 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212353504 847413291 /nfs/dbraw/zinc/41/32/91/847413291.db2.gz TWEOGXNEUOQSLC-RBSFLKMASA-N 2 1 315.433 1.058 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143582 848553293 /nfs/dbraw/zinc/55/32/93/848553293.db2.gz IVFZQPDQWYRVAA-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143582 848553300 /nfs/dbraw/zinc/55/33/00/848553300.db2.gz IVFZQPDQWYRVAA-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273143582 848553306 /nfs/dbraw/zinc/55/33/06/848553306.db2.gz IVFZQPDQWYRVAA-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273143582 848553313 /nfs/dbraw/zinc/55/33/13/848553313.db2.gz IVFZQPDQWYRVAA-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155314340 861952332 /nfs/dbraw/zinc/95/23/32/861952332.db2.gz UTXWJCDUXZVCIV-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001410470293 849372245 /nfs/dbraw/zinc/37/22/45/849372245.db2.gz FBEPJHZHADEUJY-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001273475893 851002072 /nfs/dbraw/zinc/00/20/72/851002072.db2.gz VDXDMDNEDSPUQZ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCN1CCC2(CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001273863313 851435467 /nfs/dbraw/zinc/43/54/67/851435467.db2.gz HNDBJQSRPMTUDN-OAHLLOKOSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001327590855 862300807 /nfs/dbraw/zinc/30/08/07/862300807.db2.gz IMXKIJCXVVNTHS-SJLPKXTDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001150588688 862336315 /nfs/dbraw/zinc/33/63/15/862336315.db2.gz QZBBDIYRIOABFF-MRXNPFEDSA-N 2 1 321.465 1.256 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001275100747 852805581 /nfs/dbraw/zinc/80/55/81/852805581.db2.gz QVRUBFJAFLLQPX-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001275285126 852954480 /nfs/dbraw/zinc/95/44/80/852954480.db2.gz YUVIJYVTIONQBQ-JMLCCBQJSA-N 2 1 323.456 1.707 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155743911 862422478 /nfs/dbraw/zinc/42/24/78/862422478.db2.gz LFYQMYDJKOMPBN-OAHLLOKOSA-N 2 1 321.469 1.461 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001155791560 862453450 /nfs/dbraw/zinc/45/34/50/862453450.db2.gz WSZHCVYBCCHXAJ-INIZCTEOSA-N 2 1 300.406 1.248 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)CC#Cc1ccccc1 ZINC001275897023 853916955 /nfs/dbraw/zinc/91/69/55/853916955.db2.gz GUZGJIXNNBGLOF-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001275897023 853916961 /nfs/dbraw/zinc/91/69/61/853916961.db2.gz GUZGJIXNNBGLOF-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccccc1 ZINC001275897023 853916973 /nfs/dbraw/zinc/91/69/73/853916973.db2.gz GUZGJIXNNBGLOF-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccccc1 ZINC001275897023 853916977 /nfs/dbraw/zinc/91/69/77/853916977.db2.gz GUZGJIXNNBGLOF-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856806 862513094 /nfs/dbraw/zinc/51/30/94/862513094.db2.gz MXKLCGIYRBSJGB-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856806 862513099 /nfs/dbraw/zinc/51/30/99/862513099.db2.gz MXKLCGIYRBSJGB-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001151021076 862579969 /nfs/dbraw/zinc/57/99/69/862579969.db2.gz KEACUMMHUJUBAS-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@@H+](CC)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001328587988 863090384 /nfs/dbraw/zinc/09/03/84/863090384.db2.gz OHFQKVWKPBYJLU-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001328587988 863090398 /nfs/dbraw/zinc/09/03/98/863090398.db2.gz OHFQKVWKPBYJLU-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549925 856963546 /nfs/dbraw/zinc/96/35/46/856963546.db2.gz UFJUQDBSOKTFEJ-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549925 856963561 /nfs/dbraw/zinc/96/35/61/856963561.db2.gz UFJUQDBSOKTFEJ-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549925 856963567 /nfs/dbraw/zinc/96/35/67/856963567.db2.gz UFJUQDBSOKTFEJ-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549925 856963578 /nfs/dbraw/zinc/96/35/78/856963578.db2.gz UFJUQDBSOKTFEJ-QBPKDAKJSA-N 2 1 321.465 1.347 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593872 857030978 /nfs/dbraw/zinc/03/09/78/857030978.db2.gz ICAYPQHZTXPMRS-JKSUJKDBSA-N 2 1 300.406 1.280 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593872 857030987 /nfs/dbraw/zinc/03/09/87/857030987.db2.gz ICAYPQHZTXPMRS-JKSUJKDBSA-N 2 1 300.406 1.280 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886386 857844228 /nfs/dbraw/zinc/84/42/28/857844228.db2.gz QGYGHDBHZKGXAI-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886386 857844236 /nfs/dbraw/zinc/84/42/36/857844236.db2.gz QGYGHDBHZKGXAI-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886386 857844242 /nfs/dbraw/zinc/84/42/42/857844242.db2.gz QGYGHDBHZKGXAI-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033345 858026556 /nfs/dbraw/zinc/02/65/56/858026556.db2.gz IYGDSZYJBRJMDB-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033345 858026559 /nfs/dbraw/zinc/02/65/59/858026559.db2.gz IYGDSZYJBRJMDB-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033345 858026565 /nfs/dbraw/zinc/02/65/65/858026565.db2.gz IYGDSZYJBRJMDB-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073099831 858099660 /nfs/dbraw/zinc/09/96/60/858099660.db2.gz NVNFFWJPZQSPHY-UHFFFAOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001073112135 858111498 /nfs/dbraw/zinc/11/14/98/858111498.db2.gz MSOVRBUYPWSKGC-UHFFFAOYSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001202940437 860419889 /nfs/dbraw/zinc/41/98/89/860419889.db2.gz QULNSVADTVMDMQ-UHFFFAOYSA-N 2 1 321.465 1.093 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001325848185 860880950 /nfs/dbraw/zinc/88/09/50/860880950.db2.gz NFVYYRXOQNZYIY-QGZVFWFLSA-N 2 1 311.470 1.238 20 30 DDEDMP C#CCC[NH+](CC)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001328587988 863090373 /nfs/dbraw/zinc/09/03/73/863090373.db2.gz OHFQKVWKPBYJLU-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP C#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001328810897 863243532 /nfs/dbraw/zinc/24/35/32/863243532.db2.gz ZIFPJDNIMPUYOY-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001152334586 863282478 /nfs/dbraw/zinc/28/24/78/863282478.db2.gz JEMJPYKWAFANMR-RAXLEYEMSA-N 2 1 318.248 1.356 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001157098799 863575426 /nfs/dbraw/zinc/57/54/26/863575426.db2.gz ZJXYKLAITJEAHP-OAHLLOKOSA-N 2 1 301.434 1.822 20 30 DDEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001157747380 864097488 /nfs/dbraw/zinc/09/74/88/864097488.db2.gz DAZUULNSDWVGFI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](CC)OC ZINC001153868766 864179898 /nfs/dbraw/zinc/17/98/98/864179898.db2.gz ZWIIEOIGGFWKDY-ZACQAIPSSA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](CC)OC ZINC001153868766 864179904 /nfs/dbraw/zinc/17/99/04/864179904.db2.gz ZWIIEOIGGFWKDY-ZACQAIPSSA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](CC)OC ZINC001153868766 864179911 /nfs/dbraw/zinc/17/99/11/864179911.db2.gz ZWIIEOIGGFWKDY-ZACQAIPSSA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](CC)OC ZINC001153868766 864179918 /nfs/dbraw/zinc/17/99/18/864179918.db2.gz ZWIIEOIGGFWKDY-ZACQAIPSSA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330262487 864196859 /nfs/dbraw/zinc/19/68/59/864196859.db2.gz LEFCLCHHTWXWSH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112506 864417303 /nfs/dbraw/zinc/41/73/03/864417303.db2.gz JNHHPCJDPPTEOR-CYBMUJFWSA-N 2 1 306.410 1.200 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112506 864417305 /nfs/dbraw/zinc/41/73/05/864417305.db2.gz JNHHPCJDPPTEOR-CYBMUJFWSA-N 2 1 306.410 1.200 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC001330934592 864715609 /nfs/dbraw/zinc/71/56/09/864715609.db2.gz KRZGERDYNKPHRW-JKSUJKDBSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC001330934592 864715619 /nfs/dbraw/zinc/71/56/19/864715619.db2.gz KRZGERDYNKPHRW-JKSUJKDBSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC001330934592 864715628 /nfs/dbraw/zinc/71/56/28/864715628.db2.gz KRZGERDYNKPHRW-JKSUJKDBSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC001330934592 864715636 /nfs/dbraw/zinc/71/56/36/864715636.db2.gz KRZGERDYNKPHRW-JKSUJKDBSA-N 2 1 306.454 1.066 20 30 DDEDMP C=CCOCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001331029519 864786974 /nfs/dbraw/zinc/78/69/74/864786974.db2.gz OXZYUCIZFCGAJE-NVXWUHKLSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001331029519 864786979 /nfs/dbraw/zinc/78/69/79/864786979.db2.gz OXZYUCIZFCGAJE-NVXWUHKLSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001331029519 864786983 /nfs/dbraw/zinc/78/69/83/864786983.db2.gz OXZYUCIZFCGAJE-NVXWUHKLSA-N 2 1 323.481 1.452 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)CC#CCOC ZINC001158704499 864828847 /nfs/dbraw/zinc/82/88/47/864828847.db2.gz MVLDPFSRAOCBPU-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC#CCOC ZINC001158704499 864828860 /nfs/dbraw/zinc/82/88/60/864828860.db2.gz MVLDPFSRAOCBPU-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP CC[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC#CCOC ZINC001158704499 864828872 /nfs/dbraw/zinc/82/88/72/864828872.db2.gz MVLDPFSRAOCBPU-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332030131 865516268 /nfs/dbraw/zinc/51/62/68/865516268.db2.gz HCDYQFBDXUFHJO-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001277053774 881899822 /nfs/dbraw/zinc/89/98/22/881899822.db2.gz UGEOSCMIXIBSRE-SHTZXODSSA-N 2 1 302.422 1.514 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160293460 865767773 /nfs/dbraw/zinc/76/77/73/865767773.db2.gz XRMNFLSYERGPCC-QGZVFWFLSA-N 2 1 323.456 1.828 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001324935319 867639787 /nfs/dbraw/zinc/63/97/87/867639787.db2.gz CUFWRURSNYAKJB-HKUYNNGSSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCC1 ZINC001321543509 867656849 /nfs/dbraw/zinc/65/68/49/867656849.db2.gz UAAJPBHBEJWUPF-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCC1 ZINC001321543509 867656858 /nfs/dbraw/zinc/65/68/58/867656858.db2.gz UAAJPBHBEJWUPF-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325096786 867764979 /nfs/dbraw/zinc/76/49/79/867764979.db2.gz JZDAKGIEVYIADE-SFHVURJKSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317190709 870443732 /nfs/dbraw/zinc/44/37/32/870443732.db2.gz QPQUHWHHZAYNSY-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317310693 870619656 /nfs/dbraw/zinc/61/96/56/870619656.db2.gz WZZCZQPAGWYBJK-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203729527 870728873 /nfs/dbraw/zinc/72/88/73/870728873.db2.gz HALNXCPLBLPECA-LSDHHAIUSA-N 2 1 302.422 1.785 20 30 DDEDMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001317391008 870757310 /nfs/dbraw/zinc/75/73/10/870757310.db2.gz ZOTICDJNWGHFCT-FUHWJXTLSA-N 2 1 313.445 1.617 20 30 DDEDMP C#CC[NH2+]CC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001340057012 870867047 /nfs/dbraw/zinc/86/70/47/870867047.db2.gz RTPORKAHLBWSOP-WMZOPIPTSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317535956 871019723 /nfs/dbraw/zinc/01/97/23/871019723.db2.gz LGHDEWIULZKAGN-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001317099502 871932378 /nfs/dbraw/zinc/93/23/78/871932378.db2.gz GFSVEUKQEOFKJD-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317099502 871932401 /nfs/dbraw/zinc/93/24/01/871932401.db2.gz GFSVEUKQEOFKJD-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317099502 871932422 /nfs/dbraw/zinc/93/24/22/871932422.db2.gz GFSVEUKQEOFKJD-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001319008631 872397375 /nfs/dbraw/zinc/39/73/75/872397375.db2.gz HKAXRYOMIPJPDB-UHFFFAOYSA-N 2 1 310.401 1.621 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001319394873 872609130 /nfs/dbraw/zinc/60/91/30/872609130.db2.gz NOQLZLRNZHTDJQ-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784445 873557952 /nfs/dbraw/zinc/55/79/52/873557952.db2.gz KHYVHZCZXXXABM-NVXWUHKLSA-N 2 1 316.449 1.921 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCOCC)C1 ZINC001208356295 874051114 /nfs/dbraw/zinc/05/11/14/874051114.db2.gz OEESSAYYHXUHJR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCOCC)C1 ZINC001208356295 874051126 /nfs/dbraw/zinc/05/11/26/874051126.db2.gz OEESSAYYHXUHJR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209203334 874727716 /nfs/dbraw/zinc/72/77/16/874727716.db2.gz BYSRDONECJTKFD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242023 874753231 /nfs/dbraw/zinc/75/32/31/874753231.db2.gz IJMMTXAMIUORJU-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242023 874753237 /nfs/dbraw/zinc/75/32/37/874753237.db2.gz IJMMTXAMIUORJU-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209689386 875057420 /nfs/dbraw/zinc/05/74/20/875057420.db2.gz KUNBCLDQNSDPJU-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001276708880 876192556 /nfs/dbraw/zinc/19/25/56/876192556.db2.gz RUSVRCDNWVQUDZ-OSYLJGHBSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215571347 876754642 /nfs/dbraw/zinc/75/46/42/876754642.db2.gz LMBBHEFQHRLFGF-SJLPKXTDSA-N 2 1 315.461 1.783 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379355691 876906671 /nfs/dbraw/zinc/90/66/71/876906671.db2.gz FHJPNJQDVCXUIT-CKEIUWERSA-N 2 1 314.433 1.493 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC001353109004 877124237 /nfs/dbraw/zinc/12/42/37/877124237.db2.gz JMENFKYIZYVJPZ-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC001353109004 877124241 /nfs/dbraw/zinc/12/42/41/877124241.db2.gz JMENFKYIZYVJPZ-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479034 879047621 /nfs/dbraw/zinc/04/76/21/879047621.db2.gz VFQMYRNROXUFFK-UAGQMJEPSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568281 879103439 /nfs/dbraw/zinc/10/34/39/879103439.db2.gz FCQCXRMSMSHTMB-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568281 879103449 /nfs/dbraw/zinc/10/34/49/879103449.db2.gz FCQCXRMSMSHTMB-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568281 879103456 /nfs/dbraw/zinc/10/34/56/879103456.db2.gz FCQCXRMSMSHTMB-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692907 880007036 /nfs/dbraw/zinc/00/70/36/880007036.db2.gz RHVRWCVNBWWDJF-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692907 880007049 /nfs/dbraw/zinc/00/70/49/880007049.db2.gz RHVRWCVNBWWDJF-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221715502 880018857 /nfs/dbraw/zinc/01/88/57/880018857.db2.gz VVBKQUMHMMFPIN-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC=C ZINC001235469431 888662739 /nfs/dbraw/zinc/66/27/39/888662739.db2.gz DPUCFYXCZBEWSC-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCCC=C ZINC001235469431 888662744 /nfs/dbraw/zinc/66/27/44/888662744.db2.gz DPUCFYXCZBEWSC-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC=C ZINC001235469431 888662750 /nfs/dbraw/zinc/66/27/50/888662750.db2.gz DPUCFYXCZBEWSC-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC=C ZINC001235469431 888662754 /nfs/dbraw/zinc/66/27/54/888662754.db2.gz DPUCFYXCZBEWSC-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587100 888775575 /nfs/dbraw/zinc/77/55/75/888775575.db2.gz BWNGLMXSBDRMAV-CVEARBPZSA-N 2 1 311.470 1.308 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001235587100 888775579 /nfs/dbraw/zinc/77/55/79/888775579.db2.gz BWNGLMXSBDRMAV-CVEARBPZSA-N 2 1 311.470 1.308 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(C)C)CC1 ZINC001278200243 890125660 /nfs/dbraw/zinc/12/56/60/890125660.db2.gz AQNAYQWGFAQBAA-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001366000625 892177280 /nfs/dbraw/zinc/17/72/80/892177280.db2.gz VEFTYWRRXBPCAI-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001366000625 892177287 /nfs/dbraw/zinc/17/72/87/892177287.db2.gz VEFTYWRRXBPCAI-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001366000625 892177289 /nfs/dbraw/zinc/17/72/89/892177289.db2.gz VEFTYWRRXBPCAI-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001366000625 892177298 /nfs/dbraw/zinc/17/72/98/892177298.db2.gz VEFTYWRRXBPCAI-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246313709 892532714 /nfs/dbraw/zinc/53/27/14/892532714.db2.gz SDLJKILMKWACJH-PQUAAJSLSA-N 3 1 323.481 1.725 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001278602244 894435616 /nfs/dbraw/zinc/43/56/16/894435616.db2.gz PQAJXFJTDQYQNQ-ZBFHGGJFSA-N 2 1 323.400 1.389 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001252595451 895298966 /nfs/dbraw/zinc/29/89/66/895298966.db2.gz HYMYXXDCFYQBKM-QGZVFWFLSA-N 2 1 318.465 1.664 20 30 DDEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001264462137 901137072 /nfs/dbraw/zinc/13/70/72/901137072.db2.gz SOFDXKXYANWJDS-GVDBMIGSSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001265307878 901865066 /nfs/dbraw/zinc/86/50/66/901865066.db2.gz HUUBKXGAXTUVEO-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001265307878 901865074 /nfs/dbraw/zinc/86/50/74/901865074.db2.gz HUUBKXGAXTUVEO-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001265647546 902246355 /nfs/dbraw/zinc/24/63/55/902246355.db2.gz QBWPDEYZUQPVPG-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265647546 902246371 /nfs/dbraw/zinc/24/63/71/902246371.db2.gz QBWPDEYZUQPVPG-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001265647546 902246384 /nfs/dbraw/zinc/24/63/84/902246384.db2.gz QBWPDEYZUQPVPG-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001265824077 902450787 /nfs/dbraw/zinc/45/07/87/902450787.db2.gz PLVBUIJSNCCHHI-UKRRQHHQSA-N 2 1 304.438 1.814 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279576442 903335496 /nfs/dbraw/zinc/33/54/96/903335496.db2.gz NKJALDJCQJRIHX-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001280521507 903758735 /nfs/dbraw/zinc/75/87/35/903758735.db2.gz PREHCVQNTYKSJS-UHFFFAOYSA-N 2 1 309.454 1.303 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CO2 ZINC001280960967 904246089 /nfs/dbraw/zinc/24/60/89/904246089.db2.gz AOMGDVKDGZQZIF-CABCVRRESA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001281742280 905192193 /nfs/dbraw/zinc/19/21/93/905192193.db2.gz BKNRAZCRZJBZKW-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001281751511 905199801 /nfs/dbraw/zinc/19/98/01/905199801.db2.gz VKPFKMLRKLXVIL-DLBZAZTESA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001283331696 907148096 /nfs/dbraw/zinc/14/80/96/907148096.db2.gz FJPXPUGUHUHONU-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001283331696 907148103 /nfs/dbraw/zinc/14/81/03/907148103.db2.gz FJPXPUGUHUHONU-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001283331696 907148110 /nfs/dbraw/zinc/14/81/10/907148110.db2.gz FJPXPUGUHUHONU-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001283533051 907553121 /nfs/dbraw/zinc/55/31/21/907553121.db2.gz RVDYJBGFGBYFBM-WBVHZDCISA-N 2 1 314.433 1.214 20 30 DDEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001283611379 907676320 /nfs/dbraw/zinc/67/63/20/907676320.db2.gz AZIRXCNVRSGZDH-DOMZBBRYSA-N 2 1 305.426 1.413 20 30 DDEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001283611379 907676324 /nfs/dbraw/zinc/67/63/24/907676324.db2.gz AZIRXCNVRSGZDH-DOMZBBRYSA-N 2 1 305.426 1.413 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001284227128 908688548 /nfs/dbraw/zinc/68/85/48/908688548.db2.gz QDRDVXBKGBJYFT-HZPDHXFCSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001284434845 908997069 /nfs/dbraw/zinc/99/70/69/908997069.db2.gz ANRCGEMFBQGASQ-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001394551547 909973818 /nfs/dbraw/zinc/97/38/18/909973818.db2.gz GPPJECQTNXQODG-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001377213397 920651288 /nfs/dbraw/zinc/65/12/88/920651288.db2.gz FGSNVTYKRGJACD-UHFFFAOYSA-N 2 1 314.433 1.448 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000068007844 353080263 /nfs/dbraw/zinc/08/02/63/353080263.db2.gz NTMFHMACIARYAJ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP N#CCN1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000594495325 356237310 /nfs/dbraw/zinc/23/73/10/356237310.db2.gz QMGRBIYLJOWTHW-KRWDZBQOSA-N 2 1 306.454 1.207 20 30 DDEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590067 357643152 /nfs/dbraw/zinc/64/31/52/357643152.db2.gz WTZMJBQXQNQGQN-ZBFHGGJFSA-N 2 1 311.470 1.312 20 30 DDEDMP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000598620699 357657527 /nfs/dbraw/zinc/65/75/27/357657527.db2.gz NLTWYMDVHIAYBV-OAHLLOKOSA-N 2 1 309.454 1.114 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000276662537 213031192 /nfs/dbraw/zinc/03/11/92/213031192.db2.gz WJTTZUWMPOIYNC-SJORKVTESA-N 2 1 302.422 1.364 20 30 DDEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600721280 358295046 /nfs/dbraw/zinc/29/50/46/358295046.db2.gz UPOZPFAVVXSRJH-OAHLLOKOSA-N 2 1 306.410 1.243 20 30 DDEDMP C[C@@H]1C[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344157655 223331186 /nfs/dbraw/zinc/33/11/86/223331186.db2.gz WCPQLZYPXYKWOE-BRSBDYLESA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000625702574 367099091 /nfs/dbraw/zinc/09/90/91/367099091.db2.gz HHPFFFGRIRSBPZ-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000104171772 407348359 /nfs/dbraw/zinc/34/83/59/407348359.db2.gz PEYNRYPZVXPZMT-KRWDZBQOSA-N 3 1 317.481 1.637 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(Cl)c1 ZINC000104152960 407348408 /nfs/dbraw/zinc/34/84/08/407348408.db2.gz HFAOIYCQRPTGAM-UHFFFAOYSA-N 2 1 310.829 1.467 20 30 DDEDMP CN(C(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000273318693 408152939 /nfs/dbraw/zinc/15/29/39/408152939.db2.gz FFAIINUZUKNAFF-INIZCTEOSA-N 2 1 302.422 1.162 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000328188801 409930235 /nfs/dbraw/zinc/93/02/35/409930235.db2.gz PLWAVTDQFPCEQF-OAHLLOKOSA-N 2 1 310.825 1.624 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000328188801 409930241 /nfs/dbraw/zinc/93/02/41/409930241.db2.gz PLWAVTDQFPCEQF-OAHLLOKOSA-N 2 1 310.825 1.624 20 30 DDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329733211 410425791 /nfs/dbraw/zinc/42/57/91/410425791.db2.gz JLGJKXSERNQRNZ-FRRDWIJNSA-N 2 1 303.410 1.350 20 30 DDEDMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329733211 410425793 /nfs/dbraw/zinc/42/57/93/410425793.db2.gz JLGJKXSERNQRNZ-FRRDWIJNSA-N 2 1 303.410 1.350 20 30 DDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329733211 410425799 /nfs/dbraw/zinc/42/57/99/410425799.db2.gz JLGJKXSERNQRNZ-FRRDWIJNSA-N 2 1 303.410 1.350 20 30 DDEDMP CC[C@@H]1CO[C@H](C)CN1CC#CC[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000341835721 411067642 /nfs/dbraw/zinc/06/76/42/411067642.db2.gz PDVRDOSSEYDRMC-XMTFNYHQSA-N 2 1 308.466 1.988 20 30 DDEDMP CC[C@@H]1CO[C@H](C)CN1CC#CC[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000341835721 411067647 /nfs/dbraw/zinc/06/76/47/411067647.db2.gz PDVRDOSSEYDRMC-XMTFNYHQSA-N 2 1 308.466 1.988 20 30 DDEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC1CC1 ZINC000190527555 222082912 /nfs/dbraw/zinc/08/29/12/222082912.db2.gz YAKSDMHFUYJDBB-MRXNPFEDSA-N 2 1 302.422 1.344 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000246659396 222223862 /nfs/dbraw/zinc/22/38/62/222223862.db2.gz DECPFKPNGCWFGJ-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1CC[N@@H+](C)C1 ZINC000261673554 222253737 /nfs/dbraw/zinc/25/37/37/222253737.db2.gz CHHNBIOELWODCW-ZDUSSCGKSA-N 2 1 309.483 1.419 20 30 DDEDMP CC[NH+]=C(NCC1(C)CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262433964 222280191 /nfs/dbraw/zinc/28/01/91/222280191.db2.gz SVTBHEQGZIGFSF-HNNXBMFYSA-N 2 1 308.470 1.406 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(F)c1 ZINC000264071017 222312631 /nfs/dbraw/zinc/31/26/31/222312631.db2.gz DDWQHLIHDBXACK-LSDHHAIUSA-N 2 1 308.401 1.248 20 30 DDEDMP CC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264093441 222316505 /nfs/dbraw/zinc/31/65/05/222316505.db2.gz LNOQPUGJSZUQSQ-INIZCTEOSA-N 2 1 318.465 1.807 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000267392717 222384299 /nfs/dbraw/zinc/38/42/99/222384299.db2.gz DHIJBGPNEUSMHK-INIZCTEOSA-N 2 1 302.422 1.298 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000363147504 418763070 /nfs/dbraw/zinc/76/30/70/418763070.db2.gz VRZQIZJGKPTSIG-MRXNPFEDSA-N 2 1 303.450 1.465 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000371337905 418779953 /nfs/dbraw/zinc/77/99/53/418779953.db2.gz WXSCXXFNEWJZLW-OAHLLOKOSA-N 2 1 302.422 1.752 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000371337905 418779955 /nfs/dbraw/zinc/77/99/55/418779955.db2.gz WXSCXXFNEWJZLW-OAHLLOKOSA-N 2 1 302.422 1.752 20 30 DDEDMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398667 267052357 /nfs/dbraw/zinc/05/23/57/267052357.db2.gz UVWSZTBDEDAVOO-WBVHZDCISA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398667 267052358 /nfs/dbraw/zinc/05/23/58/267052358.db2.gz UVWSZTBDEDAVOO-WBVHZDCISA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398667 267052360 /nfs/dbraw/zinc/05/23/60/267052360.db2.gz UVWSZTBDEDAVOO-WBVHZDCISA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398667 267052361 /nfs/dbraw/zinc/05/23/61/267052361.db2.gz UVWSZTBDEDAVOO-WBVHZDCISA-N 2 1 317.433 1.572 20 30 DDEDMP N#Cc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)s1 ZINC000353670560 268072211 /nfs/dbraw/zinc/07/22/11/268072211.db2.gz LYRXZJWVQLSLAV-UHFFFAOYSA-N 2 1 320.462 1.702 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171711606 337088836 /nfs/dbraw/zinc/08/88/36/337088836.db2.gz CXGWPPWOHLFAER-HNNXBMFYSA-N 2 1 308.470 1.668 20 30 DDEDMP CC[NH+](CC#CC[N@H+](CC)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000671240149 484977985 /nfs/dbraw/zinc/97/79/85/484977985.db2.gz MYEGFPVJOBPWGW-ROUUACIJSA-N 2 1 308.466 1.707 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000491814654 526822145 /nfs/dbraw/zinc/82/21/45/526822145.db2.gz KDQZDZDVUQPJBH-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000491814654 526822148 /nfs/dbraw/zinc/82/21/48/526822148.db2.gz KDQZDZDVUQPJBH-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000491814654 526822154 /nfs/dbraw/zinc/82/21/54/526822154.db2.gz KDQZDZDVUQPJBH-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980236335 696715439 /nfs/dbraw/zinc/71/54/39/696715439.db2.gz DGCDHJNTEZNAHI-GVDBMIGSSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC000980274201 696725025 /nfs/dbraw/zinc/72/50/25/696725025.db2.gz MZADIVZKRXCSHS-JYJNAYRXSA-N 2 1 300.406 1.123 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638887 695306176 /nfs/dbraw/zinc/30/61/76/695306176.db2.gz OOMNIZNCFPSMKQ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638887 695306178 /nfs/dbraw/zinc/30/61/78/695306178.db2.gz OOMNIZNCFPSMKQ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972638887 695306181 /nfs/dbraw/zinc/30/61/81/695306181.db2.gz OOMNIZNCFPSMKQ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972638887 695306183 /nfs/dbraw/zinc/30/61/83/695306183.db2.gz OOMNIZNCFPSMKQ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974657509 695705807 /nfs/dbraw/zinc/70/58/07/695705807.db2.gz OUIPHNAIQAINAO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974657509 695705808 /nfs/dbraw/zinc/70/58/08/695705808.db2.gz OUIPHNAIQAINAO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974657509 695705810 /nfs/dbraw/zinc/70/58/10/695705810.db2.gz OUIPHNAIQAINAO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978148174 696331790 /nfs/dbraw/zinc/33/17/90/696331790.db2.gz PLHCOFVUAQYACX-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978148174 696331792 /nfs/dbraw/zinc/33/17/92/696331792.db2.gz PLHCOFVUAQYACX-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978148174 696331794 /nfs/dbraw/zinc/33/17/94/696331794.db2.gz PLHCOFVUAQYACX-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP CC[NH+]=C(NCc1c(C)noc1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083097176 696550588 /nfs/dbraw/zinc/55/05/88/696550588.db2.gz RRXQNADVDCEWOM-CYBMUJFWSA-N 2 1 305.426 1.583 20 30 DDEDMP CC[NH+]=C(NCc1c(C)noc1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083097176 696550590 /nfs/dbraw/zinc/55/05/90/696550590.db2.gz RRXQNADVDCEWOM-CYBMUJFWSA-N 2 1 305.426 1.583 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(OC)cc1 ZINC000104158000 696618731 /nfs/dbraw/zinc/61/87/31/696618731.db2.gz JSOVQFRDFSICIV-AWEZNQCLSA-N 2 1 320.437 1.463 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000982011676 697002108 /nfs/dbraw/zinc/00/21/08/697002108.db2.gz IFVCKYUXNLKBQP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011676 697002110 /nfs/dbraw/zinc/00/21/10/697002110.db2.gz IFVCKYUXNLKBQP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011676 697002112 /nfs/dbraw/zinc/00/21/12/697002112.db2.gz IFVCKYUXNLKBQP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](C(C)C)C3)CC1 ZINC000982162278 697045776 /nfs/dbraw/zinc/04/57/76/697045776.db2.gz LVGCUCZTVVUCEJ-UHFFFAOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000303260509 698603819 /nfs/dbraw/zinc/60/38/19/698603819.db2.gz NJDOLYORMGOBDC-MRXNPFEDSA-N 2 1 302.422 1.922 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncc(C)c(OC)c1C ZINC000303972015 698611844 /nfs/dbraw/zinc/61/18/44/698611844.db2.gz FJVBYGLMQMAUIB-AWEZNQCLSA-N 2 1 319.453 1.596 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(F)cc1 ZINC000304813961 698625454 /nfs/dbraw/zinc/62/54/54/698625454.db2.gz ZITFGHURJSYMOQ-HIFRSBDPSA-N 2 1 322.428 1.982 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCF)CC2)CC1 ZINC000989734910 698745181 /nfs/dbraw/zinc/74/51/81/698745181.db2.gz KAQUXGVLBQAZMF-UHFFFAOYSA-N 2 1 309.429 1.226 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000759872058 700778705 /nfs/dbraw/zinc/77/87/05/700778705.db2.gz GZKFWXVORSYGPJ-UHFFFAOYSA-N 2 1 300.406 1.365 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000764416914 700970002 /nfs/dbraw/zinc/97/00/02/700970002.db2.gz JLDJNSZOOTWEHA-UHFFFAOYSA-N 2 1 317.433 1.618 20 30 DDEDMP C#Cc1cccc(NC(=O)C[N@@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000846775533 703329919 /nfs/dbraw/zinc/32/99/19/703329919.db2.gz PIAHPRPSCGJPJZ-UHFFFAOYSA-N 2 1 310.401 1.905 20 30 DDEDMP C#Cc1cccc(NC(=O)C[N@H+](C)CCCc2c[nH+]cn2C)c1 ZINC000846775533 703329920 /nfs/dbraw/zinc/32/99/20/703329920.db2.gz PIAHPRPSCGJPJZ-UHFFFAOYSA-N 2 1 310.401 1.905 20 30 DDEDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1(C)C ZINC000819288061 704101044 /nfs/dbraw/zinc/10/10/44/704101044.db2.gz UMCVBNRAQPTRCW-KRWDZBQOSA-N 2 1 316.449 1.207 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852761156 704118021 /nfs/dbraw/zinc/11/80/21/704118021.db2.gz RQYXZYJEDJPLTE-ROUUACIJSA-N 2 1 317.433 1.634 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852761156 704118023 /nfs/dbraw/zinc/11/80/23/704118023.db2.gz RQYXZYJEDJPLTE-ROUUACIJSA-N 2 1 317.433 1.634 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000820101026 704221536 /nfs/dbraw/zinc/22/15/36/704221536.db2.gz UFWWFAZOHJKWCE-PIIMJCKOSA-N 2 1 313.445 1.741 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000855809335 704501964 /nfs/dbraw/zinc/50/19/64/704501964.db2.gz CCVOGHLJXOGOLK-QGZVFWFLSA-N 2 1 317.477 1.855 20 30 DDEDMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876777599 705872716 /nfs/dbraw/zinc/87/27/16/705872716.db2.gz SCMVSDZZJBNQLS-QGZVFWFLSA-N 2 1 314.433 1.593 20 30 DDEDMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000876782552 705875164 /nfs/dbraw/zinc/87/51/64/705875164.db2.gz QQXCOOCCPOUVLV-DWQUBVKVSA-N 2 1 324.428 1.486 20 30 DDEDMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000876782552 705875167 /nfs/dbraw/zinc/87/51/67/705875167.db2.gz QQXCOOCCPOUVLV-DWQUBVKVSA-N 2 1 324.428 1.486 20 30 DDEDMP C=C[C@@H](O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000829780225 706394660 /nfs/dbraw/zinc/39/46/60/706394660.db2.gz WVCBWKFGUMJJEW-QGZVFWFLSA-N 2 1 323.481 1.188 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000884075132 708127881 /nfs/dbraw/zinc/12/78/81/708127881.db2.gz NOHYJYNFLOIDKM-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000884075132 708127883 /nfs/dbraw/zinc/12/78/83/708127883.db2.gz NOHYJYNFLOIDKM-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000884075132 708127885 /nfs/dbraw/zinc/12/78/85/708127885.db2.gz NOHYJYNFLOIDKM-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000884075132 708127887 /nfs/dbraw/zinc/12/78/87/708127887.db2.gz NOHYJYNFLOIDKM-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000886664283 708809689 /nfs/dbraw/zinc/80/96/89/708809689.db2.gz IBGDXZZFYOODIL-MSOLQXFVSA-N 2 1 305.466 1.317 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000888561008 709340396 /nfs/dbraw/zinc/34/03/96/709340396.db2.gz IMCLLHXQJMUMRO-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000888561008 709340399 /nfs/dbraw/zinc/34/03/99/709340399.db2.gz IMCLLHXQJMUMRO-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000890367660 709839787 /nfs/dbraw/zinc/83/97/87/709839787.db2.gz QVNYYFLHTHBQDW-YESZJQIVSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000890367660 709839791 /nfs/dbraw/zinc/83/97/91/709839791.db2.gz QVNYYFLHTHBQDW-YESZJQIVSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000890367660 709839796 /nfs/dbraw/zinc/83/97/96/709839796.db2.gz QVNYYFLHTHBQDW-YESZJQIVSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000890367660 709839801 /nfs/dbraw/zinc/83/98/01/709839801.db2.gz QVNYYFLHTHBQDW-YESZJQIVSA-N 2 1 318.465 1.210 20 30 DDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1C#N ZINC000892071947 710366105 /nfs/dbraw/zinc/36/61/05/710366105.db2.gz YNJPGOJBZUXWRK-AWEZNQCLSA-N 2 1 318.425 1.245 20 30 DDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1C#N ZINC000892071947 710366106 /nfs/dbraw/zinc/36/61/06/710366106.db2.gz YNJPGOJBZUXWRK-AWEZNQCLSA-N 2 1 318.425 1.245 20 30 DDEDMP N#Cc1cc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cs1 ZINC000894600264 711203802 /nfs/dbraw/zinc/20/38/02/711203802.db2.gz CVZYPHKEXJUVTL-UHFFFAOYSA-N 2 1 320.462 1.702 20 30 DDEDMP C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000912302433 711268548 /nfs/dbraw/zinc/26/85/48/711268548.db2.gz COGCTSCFSDIALL-ARFHVFGLSA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000912302433 711268552 /nfs/dbraw/zinc/26/85/52/711268552.db2.gz COGCTSCFSDIALL-ARFHVFGLSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908491049 712788530 /nfs/dbraw/zinc/78/85/30/712788530.db2.gz QGPUWSBEJLWDDT-KRWDZBQOSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908491049 712788533 /nfs/dbraw/zinc/78/85/33/712788533.db2.gz QGPUWSBEJLWDDT-KRWDZBQOSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000963816315 717916404 /nfs/dbraw/zinc/91/64/04/717916404.db2.gz VLRWSDDKEHXSKV-ZHIXCNEBSA-N 2 1 305.466 1.920 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000923344055 714321343 /nfs/dbraw/zinc/32/13/43/714321343.db2.gz ZFILCJIZEXKHLL-HZPDHXFCSA-N 2 1 318.465 1.691 20 30 DDEDMP C=CCC[C@@H](O)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000923344055 714321344 /nfs/dbraw/zinc/32/13/44/714321344.db2.gz ZFILCJIZEXKHLL-HZPDHXFCSA-N 2 1 318.465 1.691 20 30 DDEDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000923371424 714331467 /nfs/dbraw/zinc/33/14/67/714331467.db2.gz XCVPILVCQSNWJO-LNCBFAARSA-N 2 1 303.406 1.274 20 30 DDEDMP C=CC[C@H]1CC[N@H+]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000934469539 714828184 /nfs/dbraw/zinc/82/81/84/714828184.db2.gz DXMPJJQCHOGVPD-SFHVURJKSA-N 2 1 313.445 1.981 20 30 DDEDMP C=CC[C@H]1CCN1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000934469539 714828185 /nfs/dbraw/zinc/82/81/85/714828185.db2.gz DXMPJJQCHOGVPD-SFHVURJKSA-N 2 1 313.445 1.981 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000959908827 716347868 /nfs/dbraw/zinc/34/78/68/716347868.db2.gz DWOLLTOVWZSHNS-BGTYHANMSA-N 2 1 317.477 1.873 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940992460 717065159 /nfs/dbraw/zinc/06/51/59/717065159.db2.gz COPBDSSERRLMJC-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000962271378 717382589 /nfs/dbraw/zinc/38/25/89/717382589.db2.gz MWYZZQTXPVAQLV-XDNAFOTISA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962271378 717382593 /nfs/dbraw/zinc/38/25/93/717382593.db2.gz MWYZZQTXPVAQLV-XDNAFOTISA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962271378 717382598 /nfs/dbraw/zinc/38/25/98/717382598.db2.gz MWYZZQTXPVAQLV-XDNAFOTISA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169739 718265222 /nfs/dbraw/zinc/26/52/22/718265222.db2.gz QXOIEGKFNMLJPE-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028225 718378182 /nfs/dbraw/zinc/37/81/82/718378182.db2.gz GBJVMTADFSRUCG-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)[C@H](C)C2)CC1 ZINC000948071117 719350089 /nfs/dbraw/zinc/35/00/89/719350089.db2.gz VKVRBTOMDGONRF-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000968752315 719770810 /nfs/dbraw/zinc/77/08/10/719770810.db2.gz LHGZVJDQTWDBNH-DOMZBBRYSA-N 2 1 303.410 1.167 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000968752315 719770813 /nfs/dbraw/zinc/77/08/13/719770813.db2.gz LHGZVJDQTWDBNH-DOMZBBRYSA-N 2 1 303.410 1.167 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970316058 720705037 /nfs/dbraw/zinc/70/50/37/720705037.db2.gz BAQUIMUZZRCJLW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023550745 735306412 /nfs/dbraw/zinc/30/64/12/735306412.db2.gz LARGGRPNZDMAJV-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550745 735306414 /nfs/dbraw/zinc/30/64/14/735306414.db2.gz LARGGRPNZDMAJV-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550745 735306418 /nfs/dbraw/zinc/30/64/18/735306418.db2.gz LARGGRPNZDMAJV-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001023698134 735406000 /nfs/dbraw/zinc/40/60/00/735406000.db2.gz RBAJIFOJBUMGFZ-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023757720 735442326 /nfs/dbraw/zinc/44/23/26/735442326.db2.gz NHSPREPTXZABPT-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757720 735442330 /nfs/dbraw/zinc/44/23/30/735442330.db2.gz NHSPREPTXZABPT-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757720 735442332 /nfs/dbraw/zinc/44/23/32/735442332.db2.gz NHSPREPTXZABPT-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757720 735442336 /nfs/dbraw/zinc/44/23/36/735442336.db2.gz NHSPREPTXZABPT-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027638351 738498792 /nfs/dbraw/zinc/49/87/92/738498792.db2.gz XSJYGYLWIQFVHC-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027653118 738514699 /nfs/dbraw/zinc/51/46/99/738514699.db2.gz VNWPYZNSPAKABQ-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027653118 738514700 /nfs/dbraw/zinc/51/47/00/738514700.db2.gz VNWPYZNSPAKABQ-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001167351476 733272731 /nfs/dbraw/zinc/27/27/31/733272731.db2.gz BFUHAIWPCGBLRU-UHFFFAOYSA-N 2 1 316.449 1.906 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718257 733482279 /nfs/dbraw/zinc/48/22/79/733482279.db2.gz VYKOIJXFQRKQGN-HOTGVXAUSA-N 2 1 301.434 1.028 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001022837230 734818412 /nfs/dbraw/zinc/81/84/12/734818412.db2.gz SATSVKRZWZHXRS-LXTVHRRPSA-N 2 1 311.857 1.993 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413223 735219103 /nfs/dbraw/zinc/21/91/03/735219103.db2.gz BTKZJCTURIMFPX-LSDHHAIUSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413223 735219104 /nfs/dbraw/zinc/21/91/04/735219104.db2.gz BTKZJCTURIMFPX-LSDHHAIUSA-N 2 1 300.406 1.222 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023451802 735247083 /nfs/dbraw/zinc/24/70/83/735247083.db2.gz TVJZUHLMONGCTJ-QGZVFWFLSA-N 2 1 317.477 1.714 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917116 735555952 /nfs/dbraw/zinc/55/59/52/735555952.db2.gz NCPCOKXMWSCUHO-YJBOKZPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001027976445 738896037 /nfs/dbraw/zinc/89/60/37/738896037.db2.gz AOTNUKGRPJNPIU-CABCVRRESA-N 2 1 302.422 1.602 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001027985679 738910830 /nfs/dbraw/zinc/91/08/30/738910830.db2.gz MZTSTAJLSXYOJQ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001024813250 736108686 /nfs/dbraw/zinc/10/86/86/736108686.db2.gz XDLIRQHCDVJRHB-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104753550 737113902 /nfs/dbraw/zinc/11/39/02/737113902.db2.gz GKXCEZCNKAVNFZ-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@@H]21 ZINC001026298362 737315791 /nfs/dbraw/zinc/31/57/91/737315791.db2.gz MJFFGSMQIOKMNZ-AEGPPILISA-N 2 1 318.421 1.362 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167737397 737360752 /nfs/dbraw/zinc/36/07/52/737360752.db2.gz RRIQBFZQCMEBDN-CQSZACIVSA-N 2 1 313.873 1.957 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932775 737385672 /nfs/dbraw/zinc/38/56/72/737385672.db2.gz NFSMPUHWXWIMIO-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001026560861 737660175 /nfs/dbraw/zinc/66/01/75/737660175.db2.gz HRISXMLOSTVJHP-JTTJXQCZSA-N 2 1 323.456 1.849 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008764869 738024350 /nfs/dbraw/zinc/02/43/50/738024350.db2.gz DLOMQDBOHDYRCS-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008764869 738024353 /nfs/dbraw/zinc/02/43/53/738024353.db2.gz DLOMQDBOHDYRCS-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008764869 738024359 /nfs/dbraw/zinc/02/43/59/738024359.db2.gz DLOMQDBOHDYRCS-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414253 738273062 /nfs/dbraw/zinc/27/30/62/738273062.db2.gz KXUDMWVAHNYDKN-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541617 738389009 /nfs/dbraw/zinc/38/90/09/738389009.db2.gz WDMKPGIDLLIVNS-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541617 738389013 /nfs/dbraw/zinc/38/90/13/738389013.db2.gz WDMKPGIDLLIVNS-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001027541617 738389016 /nfs/dbraw/zinc/38/90/16/738389016.db2.gz WDMKPGIDLLIVNS-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP N#C[C@H]1CC[C@H](Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)CC1 ZINC001167842404 739025167 /nfs/dbraw/zinc/02/51/67/739025167.db2.gz JEIWCSXTTCDNDV-MQMHXKEQSA-N 2 1 300.410 1.898 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137076 739081446 /nfs/dbraw/zinc/08/14/46/739081446.db2.gz DEIHHLDPOTZCCH-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137076 739081451 /nfs/dbraw/zinc/08/14/51/739081451.db2.gz DEIHHLDPOTZCCH-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028252517 739235395 /nfs/dbraw/zinc/23/53/95/739235395.db2.gz XAJSLFIKMCSDNF-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028252517 739235399 /nfs/dbraw/zinc/23/53/99/739235399.db2.gz XAJSLFIKMCSDNF-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028252517 739235405 /nfs/dbraw/zinc/23/54/05/739235405.db2.gz XAJSLFIKMCSDNF-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028252517 739235409 /nfs/dbraw/zinc/23/54/09/739235409.db2.gz XAJSLFIKMCSDNF-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758159 739999008 /nfs/dbraw/zinc/99/90/08/739999008.db2.gz OSHKGAKSMMMIQW-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758159 739999014 /nfs/dbraw/zinc/99/90/14/739999014.db2.gz OSHKGAKSMMMIQW-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758159 739999017 /nfs/dbraw/zinc/99/90/17/739999017.db2.gz OSHKGAKSMMMIQW-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001029004178 740249154 /nfs/dbraw/zinc/24/91/54/740249154.db2.gz URMLSXCQXHUZNM-NKPGBKMFSA-N 2 1 323.868 1.522 20 30 DDEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396855 740682842 /nfs/dbraw/zinc/68/28/42/740682842.db2.gz XRBYFZWOCQHMEY-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998193393 751581820 /nfs/dbraw/zinc/58/18/20/751581820.db2.gz ZMIGJVKDJSVBPC-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998193393 751581824 /nfs/dbraw/zinc/58/18/24/751581824.db2.gz ZMIGJVKDJSVBPC-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998193393 751581829 /nfs/dbraw/zinc/58/18/29/751581829.db2.gz ZMIGJVKDJSVBPC-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993443 740934470 /nfs/dbraw/zinc/93/44/70/740934470.db2.gz OUSIWFVDLMUFES-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993443 740934475 /nfs/dbraw/zinc/93/44/75/740934475.db2.gz OUSIWFVDLMUFES-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993443 740934477 /nfs/dbraw/zinc/93/44/77/740934477.db2.gz OUSIWFVDLMUFES-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994922 740934748 /nfs/dbraw/zinc/93/47/48/740934748.db2.gz KNXKJHZEKINGSH-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087994922 740934749 /nfs/dbraw/zinc/93/47/49/740934749.db2.gz KNXKJHZEKINGSH-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023253 740953488 /nfs/dbraw/zinc/95/34/88/740953488.db2.gz VQOLZAOLCWVMAB-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023253 740953490 /nfs/dbraw/zinc/95/34/90/740953490.db2.gz VQOLZAOLCWVMAB-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023253 740953491 /nfs/dbraw/zinc/95/34/91/740953491.db2.gz VQOLZAOLCWVMAB-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105080 741033369 /nfs/dbraw/zinc/03/33/69/741033369.db2.gz RAXBIGZMQBGMTN-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105080 741033370 /nfs/dbraw/zinc/03/33/70/741033370.db2.gz RAXBIGZMQBGMTN-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105080 741033371 /nfs/dbraw/zinc/03/33/71/741033371.db2.gz RAXBIGZMQBGMTN-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106030 741033685 /nfs/dbraw/zinc/03/36/85/741033685.db2.gz LBMULLQRTRMAQM-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106030 741033689 /nfs/dbraw/zinc/03/36/89/741033689.db2.gz LBMULLQRTRMAQM-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106030 741033691 /nfs/dbraw/zinc/03/36/91/741033691.db2.gz LBMULLQRTRMAQM-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368616 741437827 /nfs/dbraw/zinc/43/78/27/741437827.db2.gz OGLWNHISCOZUIO-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368616 741437828 /nfs/dbraw/zinc/43/78/28/741437828.db2.gz OGLWNHISCOZUIO-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001088428842 741487953 /nfs/dbraw/zinc/48/79/53/741487953.db2.gz DBPXHEZDEZIIQB-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001088428842 741487954 /nfs/dbraw/zinc/48/79/54/741487954.db2.gz DBPXHEZDEZIIQB-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210115 741902362 /nfs/dbraw/zinc/90/23/62/741902362.db2.gz OKGKNYIXPHSKJJ-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210115 741902366 /nfs/dbraw/zinc/90/23/66/741902366.db2.gz OKGKNYIXPHSKJJ-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210115 741902370 /nfs/dbraw/zinc/90/23/70/741902370.db2.gz OKGKNYIXPHSKJJ-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168345553 742206079 /nfs/dbraw/zinc/20/60/79/742206079.db2.gz QESBBNKJVWDRAB-KRWDZBQOSA-N 2 1 313.445 1.799 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001032629500 751730543 /nfs/dbraw/zinc/73/05/43/751730543.db2.gz ZOJRTWVLRAGDSB-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]2C1 ZINC001076262467 742631298 /nfs/dbraw/zinc/63/12/98/742631298.db2.gz DYYIPPVGMIECEU-KLZNWCGWSA-N 2 1 312.417 1.080 20 30 DDEDMP CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]2C1 ZINC001076262467 742631302 /nfs/dbraw/zinc/63/13/02/742631302.db2.gz DYYIPPVGMIECEU-KLZNWCGWSA-N 2 1 312.417 1.080 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183464962 743842998 /nfs/dbraw/zinc/84/29/98/743842998.db2.gz JHTJGYRHSBMVKA-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183464962 743843003 /nfs/dbraw/zinc/84/30/03/743843003.db2.gz JHTJGYRHSBMVKA-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898671 744352301 /nfs/dbraw/zinc/35/23/01/744352301.db2.gz PXHFCXWFXOFSNF-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898671 744352307 /nfs/dbraw/zinc/35/23/07/744352307.db2.gz PXHFCXWFXOFSNF-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898671 744352309 /nfs/dbraw/zinc/35/23/09/744352309.db2.gz PXHFCXWFXOFSNF-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185947 744671376 /nfs/dbraw/zinc/67/13/76/744671376.db2.gz DDZWKHJLDOOTHL-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185947 744671378 /nfs/dbraw/zinc/67/13/78/744671378.db2.gz DDZWKHJLDOOTHL-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185947 744671381 /nfs/dbraw/zinc/67/13/81/744671381.db2.gz DDZWKHJLDOOTHL-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189109991 744820456 /nfs/dbraw/zinc/82/04/56/744820456.db2.gz IFDOUNFAINRQGE-GVDBMIGSSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992496910 744919183 /nfs/dbraw/zinc/91/91/83/744919183.db2.gz OMNXIJLRTDAELV-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992496910 744919186 /nfs/dbraw/zinc/91/91/86/744919186.db2.gz OMNXIJLRTDAELV-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992496910 744919189 /nfs/dbraw/zinc/91/91/89/744919189.db2.gz OMNXIJLRTDAELV-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992496910 744919191 /nfs/dbraw/zinc/91/91/91/744919191.db2.gz OMNXIJLRTDAELV-XYJFISCASA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190222084 745143919 /nfs/dbraw/zinc/14/39/19/745143919.db2.gz ZRAHUABEOMUMAR-IAGOWNOFSA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040747987 745171873 /nfs/dbraw/zinc/17/18/73/745171873.db2.gz XYSVLMWAJHHZTL-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000992821673 745223166 /nfs/dbraw/zinc/22/31/66/745223166.db2.gz WCHJOBBZTYPHOB-BRWVUGGUSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001190725818 745308152 /nfs/dbraw/zinc/30/81/52/745308152.db2.gz RYADKHHMVZDLCM-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCCF)C1 ZINC001190725818 745308158 /nfs/dbraw/zinc/30/81/58/745308158.db2.gz RYADKHHMVZDLCM-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001190725818 745308164 /nfs/dbraw/zinc/30/81/64/745308164.db2.gz RYADKHHMVZDLCM-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCCF)C1 ZINC001190725818 745308171 /nfs/dbraw/zinc/30/81/71/745308171.db2.gz RYADKHHMVZDLCM-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCCF)C1 ZINC001190725818 745308177 /nfs/dbraw/zinc/30/81/77/745308177.db2.gz RYADKHHMVZDLCM-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543835 745537997 /nfs/dbraw/zinc/53/79/97/745537997.db2.gz UIAHGSLWTHYELR-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191969011 745668134 /nfs/dbraw/zinc/66/81/34/745668134.db2.gz YIDUKYBOOSJMAW-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191969011 745668137 /nfs/dbraw/zinc/66/81/37/745668137.db2.gz YIDUKYBOOSJMAW-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191969011 745668140 /nfs/dbraw/zinc/66/81/40/745668140.db2.gz YIDUKYBOOSJMAW-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099240992 745852674 /nfs/dbraw/zinc/85/26/74/745852674.db2.gz XDBROGITJJYYMK-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240992 745852682 /nfs/dbraw/zinc/85/26/82/745852682.db2.gz XDBROGITJJYYMK-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240992 745852689 /nfs/dbraw/zinc/85/26/89/745852689.db2.gz XDBROGITJJYYMK-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993337506 746009750 /nfs/dbraw/zinc/00/97/50/746009750.db2.gz ZQVGGZGQZZGORF-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993337506 746009754 /nfs/dbraw/zinc/00/97/54/746009754.db2.gz ZQVGGZGQZZGORF-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197187557 747081480 /nfs/dbraw/zinc/08/14/80/747081480.db2.gz IUDMPKOWDFKBNG-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334216 747133744 /nfs/dbraw/zinc/13/37/44/747133744.db2.gz VQJVBWNGROWZOS-HQVVEAJESA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001197818097 747286719 /nfs/dbraw/zinc/28/67/19/747286719.db2.gz WEHANTFBPZJFLU-MRXNPFEDSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197818097 747286725 /nfs/dbraw/zinc/28/67/25/747286725.db2.gz WEHANTFBPZJFLU-MRXNPFEDSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001197818097 747286728 /nfs/dbraw/zinc/28/67/28/747286728.db2.gz WEHANTFBPZJFLU-MRXNPFEDSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2)C1 ZINC001031740965 747631368 /nfs/dbraw/zinc/63/13/68/747631368.db2.gz OWSZEFNZDHNZJX-SFHVURJKSA-N 2 1 311.429 1.332 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2)C1 ZINC001031740965 747631370 /nfs/dbraw/zinc/63/13/70/747631370.db2.gz OWSZEFNZDHNZJX-SFHVURJKSA-N 2 1 311.429 1.332 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370248 747818504 /nfs/dbraw/zinc/81/85/04/747818504.db2.gz RLESUNWNZLWXRV-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492762 752223435 /nfs/dbraw/zinc/22/34/35/752223435.db2.gz GCZGEDZFUORKLF-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492762 752223439 /nfs/dbraw/zinc/22/34/39/752223439.db2.gz GCZGEDZFUORKLF-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492762 752223445 /nfs/dbraw/zinc/22/34/45/752223445.db2.gz GCZGEDZFUORKLF-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200983118 748392605 /nfs/dbraw/zinc/39/26/05/748392605.db2.gz KKEOGQCARWDDJU-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201402337 748498338 /nfs/dbraw/zinc/49/83/38/748498338.db2.gz COLVMJBPGUAWBM-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201404465 748500275 /nfs/dbraw/zinc/50/02/75/748500275.db2.gz VIYNRXRSHIVWBL-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCCO1 ZINC001201419144 748509790 /nfs/dbraw/zinc/50/97/90/748509790.db2.gz DUBHDJLRDBVRHP-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618019 748594392 /nfs/dbraw/zinc/59/43/92/748594392.db2.gz VPXGJVSZUBFRGS-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004618019 748594397 /nfs/dbraw/zinc/59/43/97/748594397.db2.gz VPXGJVSZUBFRGS-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004618019 748594402 /nfs/dbraw/zinc/59/44/02/748594402.db2.gz VPXGJVSZUBFRGS-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153659 748648833 /nfs/dbraw/zinc/64/88/33/748648833.db2.gz WXQRZECDMOEIOL-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153659 748648837 /nfs/dbraw/zinc/64/88/37/748648837.db2.gz WXQRZECDMOEIOL-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033211538 748943134 /nfs/dbraw/zinc/94/31/34/748943134.db2.gz JZIHIZUBTNULHT-LSDHHAIUSA-N 2 1 302.422 1.554 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC000995822400 749248130 /nfs/dbraw/zinc/24/81/30/749248130.db2.gz APSYSPNWZSDVON-MCIONIFRSA-N 2 1 313.873 1.906 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894944 749412757 /nfs/dbraw/zinc/41/27/57/749412757.db2.gz YIWXFASANDFWPT-YVSFHVDLSA-N 2 1 315.461 1.437 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033686036 749715786 /nfs/dbraw/zinc/71/57/86/749715786.db2.gz YRYNSKHINGHHKS-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110847039 749753851 /nfs/dbraw/zinc/75/38/51/749753851.db2.gz HJDLRSNAFKLPEB-ZACQAIPSSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110847039 749753856 /nfs/dbraw/zinc/75/38/56/749753856.db2.gz HJDLRSNAFKLPEB-ZACQAIPSSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039380058 761979078 /nfs/dbraw/zinc/97/90/78/761979078.db2.gz IQTQJDBATMTUTI-LTIDMASMSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380058 761979083 /nfs/dbraw/zinc/97/90/83/761979083.db2.gz IQTQJDBATMTUTI-LTIDMASMSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039380058 761979088 /nfs/dbraw/zinc/97/90/88/761979088.db2.gz IQTQJDBATMTUTI-LTIDMASMSA-N 2 1 303.450 1.415 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996642598 749829987 /nfs/dbraw/zinc/82/99/87/749829987.db2.gz HVITWIWANPUEAS-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996642598 749829992 /nfs/dbraw/zinc/82/99/92/749829992.db2.gz HVITWIWANPUEAS-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1 ZINC000996686587 749921438 /nfs/dbraw/zinc/92/14/38/749921438.db2.gz UZGYJVAMERATMR-HTWSVDAQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1 ZINC000996686587 749921447 /nfs/dbraw/zinc/92/14/47/749921447.db2.gz UZGYJVAMERATMR-HTWSVDAQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107436642 749955679 /nfs/dbraw/zinc/95/56/79/749955679.db2.gz ILGVDROKWDGPEW-SOLBZPMBSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033879923 750043583 /nfs/dbraw/zinc/04/35/83/750043583.db2.gz HUWQBTIUJBXHTM-HUUCEWRRSA-N 2 1 302.422 1.554 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939641 750186037 /nfs/dbraw/zinc/18/60/37/750186037.db2.gz IWDHSNHHUUSGRZ-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939641 750186040 /nfs/dbraw/zinc/18/60/40/750186040.db2.gz IWDHSNHHUUSGRZ-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960162 750187486 /nfs/dbraw/zinc/18/74/86/750187486.db2.gz ZMFKOLVCZXIKKM-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960162 750187489 /nfs/dbraw/zinc/18/74/89/750187489.db2.gz ZMFKOLVCZXIKKM-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424260 762020865 /nfs/dbraw/zinc/02/08/65/762020865.db2.gz IIQFHWDGIPNELH-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001039424260 762020871 /nfs/dbraw/zinc/02/08/71/762020871.db2.gz IIQFHWDGIPNELH-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424260 762020880 /nfs/dbraw/zinc/02/08/80/762020880.db2.gz IIQFHWDGIPNELH-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111307523 750442002 /nfs/dbraw/zinc/44/20/02/750442002.db2.gz MIISTOWDQMAIQU-ZACQAIPSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307523 750442008 /nfs/dbraw/zinc/44/20/08/750442008.db2.gz MIISTOWDQMAIQU-ZACQAIPSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111307523 750442013 /nfs/dbraw/zinc/44/20/13/750442013.db2.gz MIISTOWDQMAIQU-ZACQAIPSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108395938 762040791 /nfs/dbraw/zinc/04/07/91/762040791.db2.gz XLRKUODLGQFWJB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395938 762040799 /nfs/dbraw/zinc/04/07/99/762040799.db2.gz XLRKUODLGQFWJB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395938 762040809 /nfs/dbraw/zinc/04/08/09/762040809.db2.gz XLRKUODLGQFWJB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001034642209 750625072 /nfs/dbraw/zinc/62/50/72/750625072.db2.gz BYKOMPSQUHNBBD-QAETUUGQSA-N 2 1 303.450 1.511 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089907427 750819207 /nfs/dbraw/zinc/81/92/07/750819207.db2.gz MAMBLGRHZCLWFF-XSLAGTTESA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000715604 762124752 /nfs/dbraw/zinc/12/47/52/762124752.db2.gz TWNLOZKTDRACQP-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000715604 762124756 /nfs/dbraw/zinc/12/47/56/762124756.db2.gz TWNLOZKTDRACQP-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000715604 762124758 /nfs/dbraw/zinc/12/47/58/762124758.db2.gz TWNLOZKTDRACQP-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430690 753476441 /nfs/dbraw/zinc/47/64/41/753476441.db2.gz WZNYRSIYLAFEPT-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430690 753476445 /nfs/dbraw/zinc/47/64/45/753476445.db2.gz WZNYRSIYLAFEPT-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430690 753476448 /nfs/dbraw/zinc/47/64/48/753476448.db2.gz WZNYRSIYLAFEPT-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001006001209 753486568 /nfs/dbraw/zinc/48/65/68/753486568.db2.gz LBBPWNRJNVTZKB-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001108006980 753493515 /nfs/dbraw/zinc/49/35/15/753493515.db2.gz IYWZORMPLQDYBW-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108006980 753493517 /nfs/dbraw/zinc/49/35/17/753493517.db2.gz IYWZORMPLQDYBW-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006980 753493521 /nfs/dbraw/zinc/49/35/21/753493521.db2.gz IYWZORMPLQDYBW-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006980 753493527 /nfs/dbraw/zinc/49/35/27/753493527.db2.gz IYWZORMPLQDYBW-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181169 753585009 /nfs/dbraw/zinc/58/50/09/753585009.db2.gz TUUXMJNEGIWXMJ-SFHVURJKSA-N 2 1 323.481 1.502 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(C#N)cc2)C1 ZINC001032781655 753632570 /nfs/dbraw/zinc/63/25/70/753632570.db2.gz CSAUYIXHHIWITC-SQNIBIBYSA-N 2 1 324.428 1.295 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001032781655 753632575 /nfs/dbraw/zinc/63/25/75/753632575.db2.gz CSAUYIXHHIWITC-SQNIBIBYSA-N 2 1 324.428 1.295 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001032781655 753632578 /nfs/dbraw/zinc/63/25/78/753632578.db2.gz CSAUYIXHHIWITC-SQNIBIBYSA-N 2 1 324.428 1.295 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)C1 ZINC001032781655 753632581 /nfs/dbraw/zinc/63/25/81/753632581.db2.gz CSAUYIXHHIWITC-SQNIBIBYSA-N 2 1 324.428 1.295 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)C1 ZINC001032781655 753632586 /nfs/dbraw/zinc/63/25/86/753632586.db2.gz CSAUYIXHHIWITC-SQNIBIBYSA-N 2 1 324.428 1.295 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC2)CC1 ZINC001032801741 754085682 /nfs/dbraw/zinc/08/56/82/754085682.db2.gz KYJMQLOWOAEKPH-IRXDYDNUSA-N 2 1 301.434 1.027 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078812179 754417738 /nfs/dbraw/zinc/41/77/38/754417738.db2.gz GPIKVOVTWHHCQF-HUUCEWRRSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208073 762438947 /nfs/dbraw/zinc/43/89/47/762438947.db2.gz IOMPBGQQXYGGAJ-MJGOQNOKSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659302 756414967 /nfs/dbraw/zinc/41/49/67/756414967.db2.gz VIURBEPMFGBUGQ-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081659302 756414970 /nfs/dbraw/zinc/41/49/70/756414970.db2.gz VIURBEPMFGBUGQ-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081659302 756414972 /nfs/dbraw/zinc/41/49/72/756414972.db2.gz VIURBEPMFGBUGQ-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001081662011 756417117 /nfs/dbraw/zinc/41/71/17/756417117.db2.gz IXQORYGZPXZEPT-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001081662011 756417120 /nfs/dbraw/zinc/41/71/20/756417120.db2.gz IXQORYGZPXZEPT-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081885004 756506986 /nfs/dbraw/zinc/50/69/86/756506986.db2.gz VXQRUHDNSFYHDA-IXDOHACOSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081885004 756506989 /nfs/dbraw/zinc/50/69/89/756506989.db2.gz VXQRUHDNSFYHDA-IXDOHACOSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081885004 756506990 /nfs/dbraw/zinc/50/69/90/756506990.db2.gz VXQRUHDNSFYHDA-IXDOHACOSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081885004 756506993 /nfs/dbraw/zinc/50/69/93/756506993.db2.gz VXQRUHDNSFYHDA-IXDOHACOSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040295492 762479964 /nfs/dbraw/zinc/47/99/64/762479964.db2.gz GIVMBABRSXATBC-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040295492 762479969 /nfs/dbraw/zinc/47/99/69/762479969.db2.gz GIVMBABRSXATBC-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001070761 762521649 /nfs/dbraw/zinc/52/16/49/762521649.db2.gz UYNKNPOSSSMZAY-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070761 762521654 /nfs/dbraw/zinc/52/16/54/762521654.db2.gz UYNKNPOSSSMZAY-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070761 762521659 /nfs/dbraw/zinc/52/16/59/762521659.db2.gz UYNKNPOSSSMZAY-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC001119380552 757468650 /nfs/dbraw/zinc/46/86/50/757468650.db2.gz CEPWBPFOBQZQOX-CABCVRRESA-N 2 1 308.470 1.360 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC001119380552 757468652 /nfs/dbraw/zinc/46/86/52/757468652.db2.gz CEPWBPFOBQZQOX-CABCVRRESA-N 2 1 308.470 1.360 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017147684 757671909 /nfs/dbraw/zinc/67/19/09/757671909.db2.gz DGPSPZNRWMLVGX-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001017147684 757671914 /nfs/dbraw/zinc/67/19/14/757671914.db2.gz DGPSPZNRWMLVGX-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017147684 757671916 /nfs/dbraw/zinc/67/19/16/757671916.db2.gz DGPSPZNRWMLVGX-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001017147684 757671919 /nfs/dbraw/zinc/67/19/19/757671919.db2.gz DGPSPZNRWMLVGX-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001017147684 757671922 /nfs/dbraw/zinc/67/19/22/757671922.db2.gz DGPSPZNRWMLVGX-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001017147632 757672079 /nfs/dbraw/zinc/67/20/79/757672079.db2.gz CGVWZMOJNFIMPN-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001017147632 757672083 /nfs/dbraw/zinc/67/20/83/757672083.db2.gz CGVWZMOJNFIMPN-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001017147632 757672087 /nfs/dbraw/zinc/67/20/87/757672087.db2.gz CGVWZMOJNFIMPN-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)C(C)C)C1 ZINC001017147632 757672091 /nfs/dbraw/zinc/67/20/91/757672091.db2.gz CGVWZMOJNFIMPN-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)C(C)C)C1 ZINC001017147632 757672094 /nfs/dbraw/zinc/67/20/94/757672094.db2.gz CGVWZMOJNFIMPN-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702008 757794854 /nfs/dbraw/zinc/79/48/54/757794854.db2.gz BXJDYMUSUVLIAX-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955205 758006836 /nfs/dbraw/zinc/00/68/36/758006836.db2.gz ASSXNZYMDWWFSR-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955205 758006848 /nfs/dbraw/zinc/00/68/48/758006848.db2.gz ASSXNZYMDWWFSR-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955205 758006858 /nfs/dbraw/zinc/00/68/58/758006858.db2.gz ASSXNZYMDWWFSR-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC)CC2)CC1 ZINC001052955067 758006971 /nfs/dbraw/zinc/00/69/71/758006971.db2.gz YHTMYZOOSLFABJ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001017695503 758159435 /nfs/dbraw/zinc/15/94/35/758159435.db2.gz JSIMUVJZLPCLDO-KSZLIROESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001017695503 758159441 /nfs/dbraw/zinc/15/94/41/758159441.db2.gz JSIMUVJZLPCLDO-KSZLIROESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017695503 758159447 /nfs/dbraw/zinc/15/94/47/758159447.db2.gz JSIMUVJZLPCLDO-KSZLIROESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001017695503 758159455 /nfs/dbraw/zinc/15/94/55/758159455.db2.gz JSIMUVJZLPCLDO-KSZLIROESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017766394 758217061 /nfs/dbraw/zinc/21/70/61/758217061.db2.gz WYUQVZKAONBKPT-FGTMMUONSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001017766394 758217071 /nfs/dbraw/zinc/21/70/71/758217071.db2.gz WYUQVZKAONBKPT-FGTMMUONSA-N 2 1 315.461 1.559 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001053698428 758708228 /nfs/dbraw/zinc/70/82/28/758708228.db2.gz LCKMXGJWAPIDJA-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053924735 758961207 /nfs/dbraw/zinc/96/12/07/758961207.db2.gz BPFMLOBWVVOIFH-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053924735 758961211 /nfs/dbraw/zinc/96/12/11/758961211.db2.gz BPFMLOBWVVOIFH-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001085274730 759220860 /nfs/dbraw/zinc/22/08/60/759220860.db2.gz VCLBMGHZFBNIIO-ZIAGYGMSSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164910 759247101 /nfs/dbraw/zinc/24/71/01/759247101.db2.gz WXFXCQCUALCUII-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054164910 759247107 /nfs/dbraw/zinc/24/71/07/759247107.db2.gz WXFXCQCUALCUII-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001054219449 759305466 /nfs/dbraw/zinc/30/54/66/759305466.db2.gz NWJWAGZNOFOZTD-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054239714 759331158 /nfs/dbraw/zinc/33/11/58/759331158.db2.gz KHWYCHLYRAMZIW-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054239714 759331165 /nfs/dbraw/zinc/33/11/65/759331165.db2.gz KHWYCHLYRAMZIW-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054239714 759331173 /nfs/dbraw/zinc/33/11/73/759331173.db2.gz KHWYCHLYRAMZIW-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001019386432 759881657 /nfs/dbraw/zinc/88/16/57/759881657.db2.gz NYNOCSKMTZQQRE-ZDUSSCGKSA-N 2 1 304.394 1.261 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098391898 760069856 /nfs/dbraw/zinc/06/98/56/760069856.db2.gz JSKYOLPKPNRCOQ-UHFFFAOYSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)CN1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108216410 760418714 /nfs/dbraw/zinc/41/87/14/760418714.db2.gz YZRVPUZCXJGGHB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001108216410 760418725 /nfs/dbraw/zinc/41/87/25/760418725.db2.gz YZRVPUZCXJGGHB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108216410 760418733 /nfs/dbraw/zinc/41/87/33/760418733.db2.gz YZRVPUZCXJGGHB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108216410 760418748 /nfs/dbraw/zinc/41/87/48/760418748.db2.gz YZRVPUZCXJGGHB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917371 760525940 /nfs/dbraw/zinc/52/59/40/760525940.db2.gz XQAAFCZVLQIJNG-KRWDZBQOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917371 760525948 /nfs/dbraw/zinc/52/59/48/760525948.db2.gz XQAAFCZVLQIJNG-KRWDZBQOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCC2)CC1 ZINC001085986793 760657121 /nfs/dbraw/zinc/65/71/21/760657121.db2.gz NDJBCCZKISBARV-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086250848 761249954 /nfs/dbraw/zinc/24/99/54/761249954.db2.gz PIKSWVAEYLZVDW-BBWFWOEESA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100072578 761506299 /nfs/dbraw/zinc/50/62/99/761506299.db2.gz XROZVPKKCLJOPU-IRXDYDNUSA-N 2 1 323.481 1.073 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001100072578 761506302 /nfs/dbraw/zinc/50/63/02/761506302.db2.gz XROZVPKKCLJOPU-IRXDYDNUSA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039137901 761772645 /nfs/dbraw/zinc/77/26/45/761772645.db2.gz UDZZVUNDFVMFEQ-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159688 761786501 /nfs/dbraw/zinc/78/65/01/761786501.db2.gz VLEWGEQUWRYQQM-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050201389 763311930 /nfs/dbraw/zinc/31/19/30/763311930.db2.gz FPOIUHLIIGNQBI-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050201389 763311939 /nfs/dbraw/zinc/31/19/39/763311939.db2.gz FPOIUHLIIGNQBI-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050201389 763311946 /nfs/dbraw/zinc/31/19/46/763311946.db2.gz FPOIUHLIIGNQBI-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050201389 763311954 /nfs/dbraw/zinc/31/19/54/763311954.db2.gz FPOIUHLIIGNQBI-SOUVJXGZSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042217194 763781967 /nfs/dbraw/zinc/78/19/67/763781967.db2.gz VENVHTDCXQCBCD-DOTOQJQBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042287687 763863122 /nfs/dbraw/zinc/86/31/22/763863122.db2.gz MAXJMHINTREXOE-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CN1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001042920207 764526034 /nfs/dbraw/zinc/52/60/34/764526034.db2.gz WFRXDYAQPZNFCE-KRWDZBQOSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001044684828 765751425 /nfs/dbraw/zinc/75/14/25/765751425.db2.gz KUPGJOSZIXUBAX-GJZGRUSLSA-N 2 1 314.433 1.364 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001134773017 771167677 /nfs/dbraw/zinc/16/76/77/771167677.db2.gz JJSWXDQFWGQLFZ-CABCVRRESA-N 2 1 311.470 1.239 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447011 765837137 /nfs/dbraw/zinc/83/71/37/765837137.db2.gz VLHNOQHDXQZGEF-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447011 765837145 /nfs/dbraw/zinc/83/71/45/765837145.db2.gz VLHNOQHDXQZGEF-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447011 765837153 /nfs/dbraw/zinc/83/71/53/765837153.db2.gz VLHNOQHDXQZGEF-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447884 765839190 /nfs/dbraw/zinc/83/91/90/765839190.db2.gz OFPMHYYFDSMSIJ-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447884 765839199 /nfs/dbraw/zinc/83/91/99/765839199.db2.gz OFPMHYYFDSMSIJ-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573203 765967632 /nfs/dbraw/zinc/96/76/32/765967632.db2.gz VTFBBTPLVCMIEP-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573203 765967636 /nfs/dbraw/zinc/96/76/36/765967636.db2.gz VTFBBTPLVCMIEP-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573203 765967640 /nfs/dbraw/zinc/96/76/40/765967640.db2.gz VTFBBTPLVCMIEP-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461814 766323291 /nfs/dbraw/zinc/32/32/91/766323291.db2.gz OZKQCNAZNLXZJI-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045967328 766746574 /nfs/dbraw/zinc/74/65/74/766746574.db2.gz RFYGECJEBMHGEU-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045967328 766746580 /nfs/dbraw/zinc/74/65/80/766746580.db2.gz RFYGECJEBMHGEU-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045967328 766746589 /nfs/dbraw/zinc/74/65/89/766746589.db2.gz RFYGECJEBMHGEU-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102167 766858057 /nfs/dbraw/zinc/85/80/57/766858057.db2.gz VTLYXEZJZMVBQE-PMPSAXMXSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110102167 766858065 /nfs/dbraw/zinc/85/80/65/766858065.db2.gz VTLYXEZJZMVBQE-PMPSAXMXSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001129770126 766998440 /nfs/dbraw/zinc/99/84/40/766998440.db2.gz BIKJHXKBGHUBOH-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CCCCCC1 ZINC001129770126 766998446 /nfs/dbraw/zinc/99/84/46/766998446.db2.gz BIKJHXKBGHUBOH-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001130419019 767521920 /nfs/dbraw/zinc/52/19/20/767521920.db2.gz HVYNKDAIGMDIEU-UHFFFAOYSA-N 2 1 301.434 1.474 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500922 767632571 /nfs/dbraw/zinc/63/25/71/767632571.db2.gz FSOXJPJEUZUHPN-HILOLKJVSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046575840 767703839 /nfs/dbraw/zinc/70/38/39/767703839.db2.gz RWUWBKPGTRQYOU-CRAIPNDOSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046575840 767703843 /nfs/dbraw/zinc/70/38/43/767703843.db2.gz RWUWBKPGTRQYOU-CRAIPNDOSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001047439710 768478122 /nfs/dbraw/zinc/47/81/22/768478122.db2.gz QJYVYMCLUPGRAJ-IKGGRYGDSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439710 768478126 /nfs/dbraw/zinc/47/81/26/768478126.db2.gz QJYVYMCLUPGRAJ-IKGGRYGDSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439710 768478131 /nfs/dbraw/zinc/47/81/31/768478131.db2.gz QJYVYMCLUPGRAJ-IKGGRYGDSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439710 768478134 /nfs/dbraw/zinc/47/81/34/768478134.db2.gz QJYVYMCLUPGRAJ-IKGGRYGDSA-N 2 1 323.481 1.186 20 30 DDEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132153460 768649734 /nfs/dbraw/zinc/64/97/34/768649734.db2.gz QTVIAMSNGJDMPO-CVEARBPZSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132153460 768649737 /nfs/dbraw/zinc/64/97/37/768649737.db2.gz QTVIAMSNGJDMPO-CVEARBPZSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132153460 768649744 /nfs/dbraw/zinc/64/97/44/768649744.db2.gz QTVIAMSNGJDMPO-CVEARBPZSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132153460 768649746 /nfs/dbraw/zinc/64/97/46/768649746.db2.gz QTVIAMSNGJDMPO-CVEARBPZSA-N 2 1 323.481 1.336 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCc2nccn2C)CC[C@H]1C ZINC001132194702 768664598 /nfs/dbraw/zinc/66/45/98/768664598.db2.gz DBSOHYGFVWTIFC-HUUCEWRRSA-N 2 1 302.422 1.345 20 30 DDEDMP CC#CCN1C[C@H](NC(=O)CCc2nccn2C)CC[C@H]1C ZINC001132194702 768664600 /nfs/dbraw/zinc/66/46/00/768664600.db2.gz DBSOHYGFVWTIFC-HUUCEWRRSA-N 2 1 302.422 1.345 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269031 768865945 /nfs/dbraw/zinc/86/59/45/768865945.db2.gz CAYWYWFCIWENTB-SQNIBIBYSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001133121048 769512363 /nfs/dbraw/zinc/51/23/63/769512363.db2.gz DBUWFFKFQXUACC-CVEARBPZSA-N 2 1 307.482 1.672 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CCC[NH+]1CCC3)C2 ZINC001048543428 769515617 /nfs/dbraw/zinc/51/56/17/769515617.db2.gz YPKMHHIEHFGWEA-BJWYYQGGSA-N 2 1 315.461 1.607 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600378 769691741 /nfs/dbraw/zinc/69/17/41/769691741.db2.gz LAJCQZJDHASKPX-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001133819655 770286827 /nfs/dbraw/zinc/28/68/27/770286827.db2.gz KFKSKZJVFATLCV-ZDUSSCGKSA-N 2 1 318.396 1.387 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133833822 770318203 /nfs/dbraw/zinc/31/82/03/770318203.db2.gz GZUXKMBDTOFAKR-CQSZACIVSA-N 2 1 300.406 1.248 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089418 770350357 /nfs/dbraw/zinc/35/03/57/770350357.db2.gz NBWSEWCRWLEEPR-IYBDPMFKSA-N 2 1 316.449 1.973 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089418 770350365 /nfs/dbraw/zinc/35/03/65/770350365.db2.gz NBWSEWCRWLEEPR-IYBDPMFKSA-N 2 1 316.449 1.973 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095055 770363409 /nfs/dbraw/zinc/36/34/09/770363409.db2.gz UMUDQWQDGKYJIS-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890659 770417185 /nfs/dbraw/zinc/41/71/85/770417185.db2.gz XASWLBWCMRHVIK-AWEZNQCLSA-N 2 1 320.437 1.945 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235865 770582580 /nfs/dbraw/zinc/58/25/80/770582580.db2.gz WHXUFINTFSXRCX-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049446067 770843581 /nfs/dbraw/zinc/84/35/81/770843581.db2.gz GRHVNUHMXOLCJB-GJZGRUSLSA-N 2 1 300.406 1.431 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049475722 770904195 /nfs/dbraw/zinc/90/41/95/770904195.db2.gz AQRKBPJARGNBLT-YESZJQIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001171308228 773158836 /nfs/dbraw/zinc/15/88/36/773158836.db2.gz PRYDSLQGOGXGIK-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC1CC1 ZINC001171308228 773158839 /nfs/dbraw/zinc/15/88/39/773158839.db2.gz PRYDSLQGOGXGIK-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCOC ZINC001171308918 773161059 /nfs/dbraw/zinc/16/10/59/773161059.db2.gz ZQZKNNKZTLNLKN-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCOC ZINC001171308918 773161062 /nfs/dbraw/zinc/16/10/62/773161062.db2.gz ZQZKNNKZTLNLKN-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899544 773510291 /nfs/dbraw/zinc/51/02/91/773510291.db2.gz WOMRPKZFQLJDMZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899544 773510295 /nfs/dbraw/zinc/51/02/95/773510295.db2.gz WOMRPKZFQLJDMZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899544 773510298 /nfs/dbraw/zinc/51/02/98/773510298.db2.gz WOMRPKZFQLJDMZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740716 773556427 /nfs/dbraw/zinc/55/64/27/773556427.db2.gz DNFCNGXAYPUROF-QAPCUYQASA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740716 773556429 /nfs/dbraw/zinc/55/64/29/773556429.db2.gz DNFCNGXAYPUROF-QAPCUYQASA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740716 773556432 /nfs/dbraw/zinc/55/64/32/773556432.db2.gz DNFCNGXAYPUROF-QAPCUYQASA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838915 773612384 /nfs/dbraw/zinc/61/23/84/773612384.db2.gz HPVYLYKINWWGLO-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091985902 773901081 /nfs/dbraw/zinc/90/10/81/773901081.db2.gz MTAGCYPXBLJNPJ-NUJGCVRESA-N 2 1 307.482 1.929 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011485 773919630 /nfs/dbraw/zinc/91/96/30/773919630.db2.gz XCJGQUFTDDIWNK-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011485 773919635 /nfs/dbraw/zinc/91/96/35/773919635.db2.gz XCJGQUFTDDIWNK-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092011485 773919639 /nfs/dbraw/zinc/91/96/39/773919639.db2.gz XCJGQUFTDDIWNK-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618537 774201381 /nfs/dbraw/zinc/20/13/81/774201381.db2.gz VLFXWBNMHOFDPF-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618537 774201385 /nfs/dbraw/zinc/20/13/85/774201385.db2.gz VLFXWBNMHOFDPF-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092618537 774201387 /nfs/dbraw/zinc/20/13/87/774201387.db2.gz VLFXWBNMHOFDPF-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620726 774202427 /nfs/dbraw/zinc/20/24/27/774202427.db2.gz YAKSPBDLSMUMIW-NMFUWQPSSA-N 2 1 313.873 1.763 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620726 774202430 /nfs/dbraw/zinc/20/24/30/774202430.db2.gz YAKSPBDLSMUMIW-NMFUWQPSSA-N 2 1 313.873 1.763 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620726 774202436 /nfs/dbraw/zinc/20/24/36/774202436.db2.gz YAKSPBDLSMUMIW-NMFUWQPSSA-N 2 1 313.873 1.763 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098945422 774733365 /nfs/dbraw/zinc/73/33/65/774733365.db2.gz WQTKYKJLWQKFQR-YJBOKZPZSA-N 2 1 308.385 1.552 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127550 775712220 /nfs/dbraw/zinc/71/22/20/775712220.db2.gz WUCHTXYEHAGGJA-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094449105 775887191 /nfs/dbraw/zinc/88/71/91/775887191.db2.gz IDRCAJYJWBREGX-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094449105 775887201 /nfs/dbraw/zinc/88/72/01/775887201.db2.gz IDRCAJYJWBREGX-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC001094449105 775887208 /nfs/dbraw/zinc/88/72/08/775887208.db2.gz IDRCAJYJWBREGX-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500344 776320199 /nfs/dbraw/zinc/32/01/99/776320199.db2.gz KWKCFIDUJBSAFN-BZUAXINKSA-N 2 1 311.470 1.546 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500344 776320211 /nfs/dbraw/zinc/32/02/11/776320211.db2.gz KWKCFIDUJBSAFN-BZUAXINKSA-N 2 1 311.470 1.546 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001101008297 776819018 /nfs/dbraw/zinc/81/90/18/776819018.db2.gz BUSUJIXNAWVGNQ-GPANFISMSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001101008297 776819027 /nfs/dbraw/zinc/81/90/27/776819027.db2.gz BUSUJIXNAWVGNQ-GPANFISMSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396832 777116059 /nfs/dbraw/zinc/11/60/59/777116059.db2.gz NJAWEGROJNFWCG-AOIWGVFYSA-N 2 1 319.493 1.766 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443298 777143423 /nfs/dbraw/zinc/14/34/23/777143423.db2.gz DUUZFKZMARLTAI-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443298 777143428 /nfs/dbraw/zinc/14/34/28/777143428.db2.gz DUUZFKZMARLTAI-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443298 777143430 /nfs/dbraw/zinc/14/34/30/777143430.db2.gz DUUZFKZMARLTAI-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150323969 777408469 /nfs/dbraw/zinc/40/84/69/777408469.db2.gz FIBBWXYVFDTLSL-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150323969 777408470 /nfs/dbraw/zinc/40/84/70/777408470.db2.gz FIBBWXYVFDTLSL-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150323969 777408473 /nfs/dbraw/zinc/40/84/73/777408473.db2.gz FIBBWXYVFDTLSL-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048405 777833142 /nfs/dbraw/zinc/83/31/42/777833142.db2.gz AHVOEFRWEPXFLN-DJIMGWMZSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177087466 778440347 /nfs/dbraw/zinc/44/03/47/778440347.db2.gz DLSFTTDQBILFOJ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177087466 778440349 /nfs/dbraw/zinc/44/03/49/778440349.db2.gz DLSFTTDQBILFOJ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177088893 778441652 /nfs/dbraw/zinc/44/16/52/778441652.db2.gz OOILBEYYLVFTAQ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177088893 778441653 /nfs/dbraw/zinc/44/16/53/778441653.db2.gz OOILBEYYLVFTAQ-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994089 778540237 /nfs/dbraw/zinc/54/02/37/778540237.db2.gz OZQSTFLTEPTGJT-KBAYOESNSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103085498 778629159 /nfs/dbraw/zinc/62/91/59/778629159.db2.gz YPINVMABPLQBPY-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103085498 778629164 /nfs/dbraw/zinc/62/91/64/778629164.db2.gz YPINVMABPLQBPY-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC#CC ZINC001178722861 779139013 /nfs/dbraw/zinc/13/90/13/779139013.db2.gz RLZKAOJXWFLXSV-KRWDZBQOSA-N 2 1 303.450 1.374 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC#CC ZINC001178722861 779139015 /nfs/dbraw/zinc/13/90/15/779139015.db2.gz RLZKAOJXWFLXSV-KRWDZBQOSA-N 2 1 303.450 1.374 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179586563 779419110 /nfs/dbraw/zinc/41/91/10/779419110.db2.gz QHSAOGSWTRJXCK-IAGOWNOFSA-N 2 1 323.481 1.100 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179719842 779468150 /nfs/dbraw/zinc/46/81/50/779468150.db2.gz QKNUTHNMUCRNFZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111862688 779524932 /nfs/dbraw/zinc/52/49/32/779524932.db2.gz YUXIIYQZLICSKG-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123762 779889381 /nfs/dbraw/zinc/88/93/81/779889381.db2.gz WAVFFRAANYPQBW-CAOSSQGBSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115462179 780153646 /nfs/dbraw/zinc/15/36/46/780153646.db2.gz VZBZECIBFQETCY-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115462179 780153649 /nfs/dbraw/zinc/15/36/49/780153649.db2.gz VZBZECIBFQETCY-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[N@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250501 837671011 /nfs/dbraw/zinc/67/10/11/837671011.db2.gz OMDBVNOPLODJPS-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250501 837671015 /nfs/dbraw/zinc/67/10/15/837671015.db2.gz OMDBVNOPLODJPS-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@@H+](C)CCF)C2)CC1 ZINC001266472254 836313785 /nfs/dbraw/zinc/31/37/85/836313785.db2.gz GJUHWPVGCPLSDS-INIZCTEOSA-N 2 1 323.456 1.472 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001271883842 844178879 /nfs/dbraw/zinc/17/88/79/844178879.db2.gz DVHYFAWHOZKJLW-ZBFHGGJFSA-N 2 1 302.422 1.118 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001266970596 837130977 /nfs/dbraw/zinc/13/09/77/837130977.db2.gz FNLQOHSRLSLJLS-CQSZACIVSA-N 2 1 320.437 1.945 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267013131 837190864 /nfs/dbraw/zinc/19/08/64/837190864.db2.gz VLEWYHWQVQBDGK-KBPBESRZSA-N 2 1 320.437 1.895 20 30 DDEDMP COCC#CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267338094 837854275 /nfs/dbraw/zinc/85/42/75/837854275.db2.gz OZPPXYUHWLHMNT-IYBDPMFKSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267338094 837854288 /nfs/dbraw/zinc/85/42/88/837854288.db2.gz OZPPXYUHWLHMNT-IYBDPMFKSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267338094 837854299 /nfs/dbraw/zinc/85/42/99/837854299.db2.gz OZPPXYUHWLHMNT-IYBDPMFKSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267338094 837854305 /nfs/dbraw/zinc/85/43/05/837854305.db2.gz OZPPXYUHWLHMNT-IYBDPMFKSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267582172 838361577 /nfs/dbraw/zinc/36/15/77/838361577.db2.gz HIQUHJVFCBKSGM-HOTGVXAUSA-N 2 1 311.445 1.470 20 30 DDEDMP CC#CC[NH2+]C[C@](C)(NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001267857227 839084899 /nfs/dbraw/zinc/08/48/99/839084899.db2.gz WPRGSDCMXJRISK-KRWDZBQOSA-N 2 1 318.421 1.248 20 30 DDEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267857217 839085192 /nfs/dbraw/zinc/08/51/92/839085192.db2.gz WKDIFOLGVAEQRO-SJLPKXTDSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001267959003 839270101 /nfs/dbraw/zinc/27/01/01/839270101.db2.gz JQUDIGICKGTUFH-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267963407 839282402 /nfs/dbraw/zinc/28/24/02/839282402.db2.gz NFEPULJHXPBRPE-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268250666 839896231 /nfs/dbraw/zinc/89/62/31/839896231.db2.gz FQKUMKUAEDSAES-OAHLLOKOSA-N 2 1 302.422 1.167 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268250666 839896236 /nfs/dbraw/zinc/89/62/36/839896236.db2.gz FQKUMKUAEDSAES-OAHLLOKOSA-N 2 1 302.422 1.167 20 30 DDEDMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268471851 840254703 /nfs/dbraw/zinc/25/47/03/840254703.db2.gz UEYGNBIRSDUWOT-OAHLLOKOSA-N 2 1 320.462 1.652 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269115966 841222854 /nfs/dbraw/zinc/22/28/54/841222854.db2.gz OMRSLYQGOLWSBT-RDJZCZTQSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001269348724 841549634 /nfs/dbraw/zinc/54/96/34/841549634.db2.gz NCIKQZDEAMCJRP-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001269348724 841549641 /nfs/dbraw/zinc/54/96/41/841549641.db2.gz NCIKQZDEAMCJRP-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269348724 841549647 /nfs/dbraw/zinc/54/96/47/841549647.db2.gz NCIKQZDEAMCJRP-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(=C)C)C1 ZINC001326287681 861258537 /nfs/dbraw/zinc/25/85/37/861258537.db2.gz AYHMWRZXBHGFMC-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(=C)C)C1 ZINC001326287681 861258547 /nfs/dbraw/zinc/25/85/47/861258547.db2.gz AYHMWRZXBHGFMC-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001270364178 842517853 /nfs/dbraw/zinc/51/78/53/842517853.db2.gz NBZSNFDVAWJRCS-HZPDHXFCSA-N 2 1 323.456 1.612 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001271424197 843578613 /nfs/dbraw/zinc/57/86/13/843578613.db2.gz CNCGYYDMXFDJBP-JKSUJKDBSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001326980501 861769549 /nfs/dbraw/zinc/76/95/49/861769549.db2.gz UUNDPYCKENLZSS-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1(C[NH+](C)C)CCCC1 ZINC001273127705 847960753 /nfs/dbraw/zinc/96/07/53/847960753.db2.gz FYBDDQRSDWTSIY-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034290247 848267066 /nfs/dbraw/zinc/26/70/66/848267066.db2.gz GZRHEWFBRACVNT-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329588 848335106 /nfs/dbraw/zinc/33/51/06/848335106.db2.gz ICFCSGNDNPSLKW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001273261405 849237679 /nfs/dbraw/zinc/23/76/79/849237679.db2.gz SNUAZUOGCXSSMM-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC001327326373 862065026 /nfs/dbraw/zinc/06/50/26/862065026.db2.gz OCWAIPILYHGMRM-HZPDHXFCSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001274319024 852153933 /nfs/dbraw/zinc/15/39/33/852153933.db2.gz WQVUFMCKUPNIHW-IYKSTZQJSA-N 2 1 300.406 1.039 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001275184201 852873423 /nfs/dbraw/zinc/87/34/23/852873423.db2.gz MJDLGJGKCRAWPB-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC[C@@H](C)F)CC1 ZINC001276013760 854160737 /nfs/dbraw/zinc/16/07/37/854160737.db2.gz ZOHNOAQVAVSIMT-CABCVRRESA-N 2 1 311.445 1.516 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001328278038 862852689 /nfs/dbraw/zinc/85/26/89/862852689.db2.gz GSWNRONRIQKCMH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001328278038 862852703 /nfs/dbraw/zinc/85/27/03/862852703.db2.gz GSWNRONRIQKCMH-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049567570 856987889 /nfs/dbraw/zinc/98/78/89/856987889.db2.gz MQUVCTTWXHFYPP-SJORKVTESA-N 2 1 315.461 1.703 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072731883 857647787 /nfs/dbraw/zinc/64/77/87/857647787.db2.gz QHRQSKXHXBUETG-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072731883 857647794 /nfs/dbraw/zinc/64/77/94/857647794.db2.gz QHRQSKXHXBUETG-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072731883 857647799 /nfs/dbraw/zinc/64/77/99/857647799.db2.gz QHRQSKXHXBUETG-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050418 858048070 /nfs/dbraw/zinc/04/80/70/858048070.db2.gz YXPPFZNJYCOSDM-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050418 858048073 /nfs/dbraw/zinc/04/80/73/858048073.db2.gz YXPPFZNJYCOSDM-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050418 858048079 /nfs/dbraw/zinc/04/80/79/858048079.db2.gz YXPPFZNJYCOSDM-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872405 860215366 /nfs/dbraw/zinc/21/53/66/860215366.db2.gz DZQBRINYUCNPAX-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001161213159 860889025 /nfs/dbraw/zinc/88/90/25/860889025.db2.gz HMFABXIEMUMSKI-KRWDZBQOSA-N 2 1 305.466 1.878 20 30 DDEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH2+]CC#CCOC ZINC001158354269 864595997 /nfs/dbraw/zinc/59/59/97/864595997.db2.gz GOMBFRVBRYWHAO-OAHLLOKOSA-N 2 1 320.437 1.142 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159726512 865486790 /nfs/dbraw/zinc/48/67/90/865486790.db2.gz ZBLZVOWFHIKDLB-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159726512 865486798 /nfs/dbraw/zinc/48/67/98/865486798.db2.gz ZBLZVOWFHIKDLB-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159726512 865486804 /nfs/dbraw/zinc/48/68/04/865486804.db2.gz ZBLZVOWFHIKDLB-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159726512 865486810 /nfs/dbraw/zinc/48/68/10/865486810.db2.gz ZBLZVOWFHIKDLB-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001159997587 865635861 /nfs/dbraw/zinc/63/58/61/865635861.db2.gz SQWDLXBPTODWTB-UHFFFAOYSA-N 2 1 320.462 1.700 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175348 865712093 /nfs/dbraw/zinc/71/20/93/865712093.db2.gz NCICXHODGBTAOE-NVXWUHKLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175348 865712101 /nfs/dbraw/zinc/71/21/01/865712101.db2.gz NCICXHODGBTAOE-NVXWUHKLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175348 865712109 /nfs/dbraw/zinc/71/21/09/865712109.db2.gz NCICXHODGBTAOE-NVXWUHKLSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001161029006 866289684 /nfs/dbraw/zinc/28/96/84/866289684.db2.gz JTVCKFPOHGCAKD-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001324082102 867058973 /nfs/dbraw/zinc/05/89/73/867058973.db2.gz RAZFGLNCBACDOA-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001324160605 867112517 /nfs/dbraw/zinc/11/25/17/867112517.db2.gz BDHSEQWPDHELBK-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324557135 867351899 /nfs/dbraw/zinc/35/18/99/867351899.db2.gz OQPRDQCOICJGEU-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001324740924 867491778 /nfs/dbraw/zinc/49/17/78/867491778.db2.gz IOXKXPNMNHHBDW-FUHWJXTLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1CC ZINC001325366970 867972194 /nfs/dbraw/zinc/97/21/94/867972194.db2.gz PKVYILNJJFBMJK-GOSISDBHSA-N 2 1 315.461 1.969 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCCO1 ZINC001322549401 868241173 /nfs/dbraw/zinc/24/11/73/868241173.db2.gz NPINQRANKWEVEL-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H]1CCCO1 ZINC001322549401 868241187 /nfs/dbraw/zinc/24/11/87/868241187.db2.gz NPINQRANKWEVEL-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001317014937 870121334 /nfs/dbraw/zinc/12/13/34/870121334.db2.gz DRYVAQBEYCAJLC-ROUUACIJSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166708401 870181067 /nfs/dbraw/zinc/18/10/67/870181067.db2.gz PUVOUYWGEHWBBK-ZYHUDNBSSA-N 2 1 318.259 1.189 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCC1 ZINC001317397096 870764887 /nfs/dbraw/zinc/76/48/87/870764887.db2.gz SQFODFGGWZHJBL-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCC1 ZINC001317397096 870764898 /nfs/dbraw/zinc/76/48/98/870764898.db2.gz SQFODFGGWZHJBL-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001316791648 872056939 /nfs/dbraw/zinc/05/69/39/872056939.db2.gz VGECOFUWZIHAON-OWCLPIDISA-N 2 1 311.470 1.354 20 30 DDEDMP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001316815030 872097001 /nfs/dbraw/zinc/09/70/01/872097001.db2.gz UUXKXSBSEMPWIP-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001316815030 872097014 /nfs/dbraw/zinc/09/70/14/872097014.db2.gz UUXKXSBSEMPWIP-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C[NH+](CC#Cc1ccccc1)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001316815030 872097038 /nfs/dbraw/zinc/09/70/38/872097038.db2.gz UUXKXSBSEMPWIP-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001318483628 872107217 /nfs/dbraw/zinc/10/72/17/872107217.db2.gz GGEVPESSUSDWKX-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC#CCOC ZINC001316876041 872191281 /nfs/dbraw/zinc/19/12/81/872191281.db2.gz BDCMIWGGPLCBLV-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001342465095 872222791 /nfs/dbraw/zinc/22/27/91/872222791.db2.gz LNWABTHSQSZXGK-IYBDPMFKSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206444478 872332050 /nfs/dbraw/zinc/33/20/50/872332050.db2.gz ASFUAUQRGDJOEO-UHFFFAOYSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548034 872431437 /nfs/dbraw/zinc/43/14/37/872431437.db2.gz NNLCULKPUZTPQJ-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001206695944 872519623 /nfs/dbraw/zinc/51/96/23/872519623.db2.gz NETTYEVCFKHJAW-UHFFFAOYSA-N 2 1 323.400 1.342 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001206943471 872819588 /nfs/dbraw/zinc/81/95/88/872819588.db2.gz SKHHZPXQFWDRDM-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206943471 872819596 /nfs/dbraw/zinc/81/95/96/872819596.db2.gz SKHHZPXQFWDRDM-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475208 874172843 /nfs/dbraw/zinc/17/28/43/874172843.db2.gz SJBWGYGIGJXANV-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209566012 874976514 /nfs/dbraw/zinc/97/65/14/874976514.db2.gz MIPQIKTYPXLMTJ-ZACQAIPSSA-N 2 1 307.482 1.813 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594341 875991365 /nfs/dbraw/zinc/99/13/65/875991365.db2.gz ANGBRSOHOURIAQ-OAGGEKHMSA-N 2 1 311.470 1.354 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213594341 875991375 /nfs/dbraw/zinc/99/13/75/875991375.db2.gz ANGBRSOHOURIAQ-OAGGEKHMSA-N 2 1 311.470 1.354 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC=C)C1 ZINC001214880418 876492128 /nfs/dbraw/zinc/49/21/28/876492128.db2.gz IGULZULCSGQQSU-ZACQAIPSSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC=C)C1 ZINC001214880418 876492133 /nfs/dbraw/zinc/49/21/33/876492133.db2.gz IGULZULCSGQQSU-ZACQAIPSSA-N 2 1 303.450 1.487 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624621 877618012 /nfs/dbraw/zinc/61/80/12/877618012.db2.gz UZPWNGBDNLLLIY-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)CC[NH+](C)CC)Cc1cccnc1 ZINC001230890325 885018328 /nfs/dbraw/zinc/01/83/28/885018328.db2.gz AJZZYSYCKHUULI-UHFFFAOYSA-N 2 1 318.465 1.918 20 30 DDEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001277528199 885710045 /nfs/dbraw/zinc/71/00/45/885710045.db2.gz IOMAEDOFPFYMTG-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001277528199 885710048 /nfs/dbraw/zinc/71/00/48/885710048.db2.gz IOMAEDOFPFYMTG-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001277528199 885710055 /nfs/dbraw/zinc/71/00/55/885710055.db2.gz IOMAEDOFPFYMTG-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(C#N)ccc1O ZINC001232678667 886530388 /nfs/dbraw/zinc/53/03/88/886530388.db2.gz MLRDCIQVWWWQPG-UHFFFAOYSA-N 2 1 318.465 1.969 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001277762383 886787543 /nfs/dbraw/zinc/78/75/43/886787543.db2.gz BLLDVWBBNBQOGT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235522911 888707470 /nfs/dbraw/zinc/70/74/70/888707470.db2.gz QXXQTSCMAQUJBM-JZXOWHBKSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@@]12CCCO[C@@H]1CCN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522911 888707474 /nfs/dbraw/zinc/70/74/74/888707474.db2.gz QXXQTSCMAQUJBM-JZXOWHBKSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522911 888707482 /nfs/dbraw/zinc/70/74/82/888707482.db2.gz QXXQTSCMAQUJBM-JZXOWHBKSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522911 888707490 /nfs/dbraw/zinc/70/74/90/888707490.db2.gz QXXQTSCMAQUJBM-JZXOWHBKSA-N 2 1 324.465 1.785 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001278349264 891455952 /nfs/dbraw/zinc/45/59/52/891455952.db2.gz DLIVOKZUVLHWTM-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001278349264 891455964 /nfs/dbraw/zinc/45/59/64/891455964.db2.gz DLIVOKZUVLHWTM-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001278349264 891455973 /nfs/dbraw/zinc/45/59/73/891455973.db2.gz DLIVOKZUVLHWTM-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC1 ZINC001246301189 892526172 /nfs/dbraw/zinc/52/61/72/892526172.db2.gz WHELTNYOELLRNW-SJSXWMTQSA-N 2 1 317.408 1.700 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001246305455 892529356 /nfs/dbraw/zinc/52/93/56/892529356.db2.gz HROPSDYACDCJFM-IOASZLSFSA-N 2 1 308.422 1.561 20 30 DDEDMP C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001251847616 894840384 /nfs/dbraw/zinc/84/03/84/894840384.db2.gz JFPYEWJICODOAZ-CEXWTWQISA-N 2 1 314.429 1.061 20 30 DDEDMP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001251847616 894840398 /nfs/dbraw/zinc/84/03/98/894840398.db2.gz JFPYEWJICODOAZ-CEXWTWQISA-N 2 1 314.429 1.061 20 30 DDEDMP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001251847616 894840410 /nfs/dbraw/zinc/84/04/10/894840410.db2.gz JFPYEWJICODOAZ-CEXWTWQISA-N 2 1 314.429 1.061 20 30 DDEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278663438 895114223 /nfs/dbraw/zinc/11/42/23/895114223.db2.gz KSTUJPLYXGWBNF-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001252552582 895270641 /nfs/dbraw/zinc/27/06/41/895270641.db2.gz KOZGOXFAXYWXAK-BZSNNMDCSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252552582 895270656 /nfs/dbraw/zinc/27/06/56/895270656.db2.gz KOZGOXFAXYWXAK-BZSNNMDCSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252552582 895270668 /nfs/dbraw/zinc/27/06/68/895270668.db2.gz KOZGOXFAXYWXAK-BZSNNMDCSA-N 2 1 308.466 1.604 20 30 DDEDMP C[N@H+]1CCC[C@@H](NC(=[NH2+])c2ccc(S(C)(=O)=O)cc2)CC1 ZINC001254507221 896468286 /nfs/dbraw/zinc/46/82/86/896468286.db2.gz KEGSNCYVPXYEIA-CYBMUJFWSA-N 2 1 309.435 1.280 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001367437383 896761604 /nfs/dbraw/zinc/76/16/04/896761604.db2.gz GYODYOLVQUVACD-JSGCOSHPSA-N 2 1 301.862 1.906 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001278970274 897613225 /nfs/dbraw/zinc/61/32/25/897613225.db2.gz YMHWRHUFILLSKO-QZTJIDSGSA-N 2 1 313.445 1.723 20 30 DDEDMP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC#CCOC ZINC001264055660 900896853 /nfs/dbraw/zinc/89/68/53/900896853.db2.gz IYXUUGRPMCCFQR-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC#CCOC ZINC001264055660 900896861 /nfs/dbraw/zinc/89/68/61/900896861.db2.gz IYXUUGRPMCCFQR-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC#CCOC ZINC001264055660 900896866 /nfs/dbraw/zinc/89/68/66/900896866.db2.gz IYXUUGRPMCCFQR-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264731947 901316179 /nfs/dbraw/zinc/31/61/79/901316179.db2.gz ZADNVMTUUPQAEW-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265558464 902131752 /nfs/dbraw/zinc/13/17/52/902131752.db2.gz ZKYFCTWSILTIBM-OAGGEKHMSA-N 2 1 316.449 1.957 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001265655402 902257931 /nfs/dbraw/zinc/25/79/31/902257931.db2.gz HKHUGGYXKGMRFO-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001265655402 902257939 /nfs/dbraw/zinc/25/79/39/902257939.db2.gz HKHUGGYXKGMRFO-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001265707864 902324859 /nfs/dbraw/zinc/32/48/59/902324859.db2.gz GSSCXTALCUOIKZ-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265707864 902324861 /nfs/dbraw/zinc/32/48/61/902324861.db2.gz GSSCXTALCUOIKZ-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265707864 902324871 /nfs/dbraw/zinc/32/48/71/902324871.db2.gz GSSCXTALCUOIKZ-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001265734866 902352277 /nfs/dbraw/zinc/35/22/77/902352277.db2.gz FZNOVHHAWOONSV-JCYILVPMSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001279511754 903296297 /nfs/dbraw/zinc/29/62/97/903296297.db2.gz SLEVJNZETLMHDT-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001279511754 903296316 /nfs/dbraw/zinc/29/63/16/903296316.db2.gz SLEVJNZETLMHDT-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001279511754 903296328 /nfs/dbraw/zinc/29/63/28/903296328.db2.gz SLEVJNZETLMHDT-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001280364756 903608143 /nfs/dbraw/zinc/60/81/43/903608143.db2.gz CJPMPLQUUCZUGJ-BZSNNMDCSA-N 2 1 315.461 1.372 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001280364756 903608153 /nfs/dbraw/zinc/60/81/53/903608153.db2.gz CJPMPLQUUCZUGJ-BZSNNMDCSA-N 2 1 315.461 1.372 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001280364781 903609417 /nfs/dbraw/zinc/60/94/17/903609417.db2.gz DDPPGQMNMGKWCL-WKILWMFISA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001281622063 905095984 /nfs/dbraw/zinc/09/59/84/905095984.db2.gz ATEZBXFHUUAJNQ-UHFFFAOYSA-N 2 1 320.437 1.101 20 30 DDEDMP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC#CCOC)CC2)[NH+](C)C ZINC001284070877 908425603 /nfs/dbraw/zinc/42/56/03/908425603.db2.gz KGVHXWLYIAGESC-RYRKJORJSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284155406 908563065 /nfs/dbraw/zinc/56/30/65/908563065.db2.gz UPWYBOLPGHRRAO-GDBMZVCRSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284155406 908563069 /nfs/dbraw/zinc/56/30/69/908563069.db2.gz UPWYBOLPGHRRAO-GDBMZVCRSA-N 2 1 320.437 1.363 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001375951894 917346248 /nfs/dbraw/zinc/34/62/48/917346248.db2.gz QHBGOANURDLORY-HNNXBMFYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001375951894 917346237 /nfs/dbraw/zinc/34/62/37/917346237.db2.gz QHBGOANURDLORY-HNNXBMFYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000151030749 539197235 /nfs/dbraw/zinc/19/72/35/539197235.db2.gz ZWTAKJKBISPMFO-GDBMZVCRSA-N 2 1 324.469 1.045 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000151030749 539197236 /nfs/dbraw/zinc/19/72/36/539197236.db2.gz ZWTAKJKBISPMFO-GDBMZVCRSA-N 2 1 324.469 1.045 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762506 354282377 /nfs/dbraw/zinc/28/23/77/354282377.db2.gz FSAMEQKAODHEBV-JKSUJKDBSA-N 2 1 320.481 1.991 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762506 354282382 /nfs/dbraw/zinc/28/23/82/354282382.db2.gz FSAMEQKAODHEBV-JKSUJKDBSA-N 2 1 320.481 1.991 20 30 DDEDMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCN(CC#N)CC1 ZINC000591736853 355374578 /nfs/dbraw/zinc/37/45/78/355374578.db2.gz VLKFYTIQRYCLMG-GOSISDBHSA-N 2 1 316.449 1.057 20 30 DDEDMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCN(CC#N)CC1 ZINC000591736853 355374580 /nfs/dbraw/zinc/37/45/80/355374580.db2.gz VLKFYTIQRYCLMG-GOSISDBHSA-N 2 1 316.449 1.057 20 30 DDEDMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)C#N ZINC000598364019 357552421 /nfs/dbraw/zinc/55/24/21/357552421.db2.gz YYFDAYOWTZZECK-HNNXBMFYSA-N 2 1 320.481 1.943 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)CC1 ZINC000598594695 357645309 /nfs/dbraw/zinc/64/53/09/357645309.db2.gz HXKMMKYTYBNDEV-DLBZAZTESA-N 2 1 322.497 1.387 20 30 DDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600734508 358300762 /nfs/dbraw/zinc/30/07/62/358300762.db2.gz CSKCNFZBRQCQPE-DOTOQJQBSA-N 2 1 317.433 1.619 20 30 DDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600736700 358301499 /nfs/dbraw/zinc/30/14/99/358301499.db2.gz QGDAJCDSYJWJAR-HOTGVXAUSA-N 2 1 309.454 1.379 20 30 DDEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000602528714 359028732 /nfs/dbraw/zinc/02/87/32/359028732.db2.gz TWRGXJFTEDFAAH-HNNXBMFYSA-N 2 1 309.454 1.522 20 30 DDEDMP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC#CC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000342122616 296289623 /nfs/dbraw/zinc/28/96/23/296289623.db2.gz GMXXOQQCMLWZNV-MAPUTHEBSA-N 2 1 308.466 1.457 20 30 DDEDMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424159772 533027767 /nfs/dbraw/zinc/02/77/67/533027767.db2.gz AJWUVZNRBYPAJZ-LSDHHAIUSA-N 2 1 316.405 1.189 20 30 DDEDMP C=CC[N@H+](C)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC000121287583 408178175 /nfs/dbraw/zinc/17/81/75/408178175.db2.gz CTQWUPREGOEAJH-UHFFFAOYSA-N 2 1 317.433 1.253 20 30 DDEDMP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000265485823 408667278 /nfs/dbraw/zinc/66/72/78/408667278.db2.gz MDOFDYZDEGZYFF-SJORKVTESA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000265485823 408667284 /nfs/dbraw/zinc/66/72/84/408667284.db2.gz MDOFDYZDEGZYFF-SJORKVTESA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265485823 408667290 /nfs/dbraw/zinc/66/72/90/408667290.db2.gz MDOFDYZDEGZYFF-SJORKVTESA-N 2 1 317.433 1.572 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000177872959 408730947 /nfs/dbraw/zinc/73/09/47/408730947.db2.gz PELNVIVFCDOLGZ-OAHLLOKOSA-N 2 1 308.470 1.620 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccc(C(F)F)n1 ZINC000287001801 409002921 /nfs/dbraw/zinc/00/29/21/409002921.db2.gz FCJHQZHMHRUKPN-SNVBAGLBSA-N 2 1 312.368 1.303 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCC[N@H+]2CC=CCC2)cc1OC ZINC000279890691 409253527 /nfs/dbraw/zinc/25/35/27/409253527.db2.gz BUOBDQNROLUAKU-UHFFFAOYSA-N 2 1 304.394 1.692 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CC=CCC2)cc1OC ZINC000279890691 409253530 /nfs/dbraw/zinc/25/35/30/409253530.db2.gz BUOBDQNROLUAKU-UHFFFAOYSA-N 2 1 304.394 1.692 20 30 DDEDMP CC[N@@H+]1CCO[C@@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1ccccc1 ZINC000285044160 409393238 /nfs/dbraw/zinc/39/32/38/409393238.db2.gz KSSRXYCPYMEASI-HOTGVXAUSA-N 2 1 302.422 1.515 20 30 DDEDMP CC[N@H+]1CCO[C@@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1ccccc1 ZINC000285044160 409393245 /nfs/dbraw/zinc/39/32/45/409393245.db2.gz KSSRXYCPYMEASI-HOTGVXAUSA-N 2 1 302.422 1.515 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1csc(COC)n1 ZINC000290625530 409466872 /nfs/dbraw/zinc/46/68/72/409466872.db2.gz KTQOVZCQJXEPHO-LBPRGKRZSA-N 2 1 311.455 1.178 20 30 DDEDMP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1C#N ZINC000349316122 409788418 /nfs/dbraw/zinc/78/84/18/409788418.db2.gz NBYRMNUTMYYLGQ-UHFFFAOYSA-N 2 1 300.450 1.936 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)CC1 ZINC000329036320 410064280 /nfs/dbraw/zinc/06/42/80/410064280.db2.gz NAPNBONCYDDFDH-CYBMUJFWSA-N 2 1 321.425 1.608 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3nc(C)no3)C2)CC1 ZINC000329036320 410064286 /nfs/dbraw/zinc/06/42/86/410064286.db2.gz NAPNBONCYDDFDH-CYBMUJFWSA-N 2 1 321.425 1.608 20 30 DDEDMP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352927982 410690866 /nfs/dbraw/zinc/69/08/66/410690866.db2.gz ADFDIIFDHBHFPE-UHFFFAOYSA-N 2 1 307.467 1.520 20 30 DDEDMP C[C@@H]1[C@H](C)N(CC#CCN2CC[N@H+](C)[C@H](C)[C@@H]2C)CC[NH+]1C ZINC000341911060 411083085 /nfs/dbraw/zinc/08/30/85/411083085.db2.gz SOTSONDKHDEUHO-BDXSIMOUSA-N 2 1 306.498 1.039 20 30 DDEDMP CC[NH+]=C(NCC1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261872149 222260217 /nfs/dbraw/zinc/26/02/17/222260217.db2.gz ZUQLYQHXHRTTRD-QGZVFWFLSA-N 2 1 322.497 1.796 20 30 DDEDMP C[NH+]=C(NCC1CCOCC1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262751338 222291180 /nfs/dbraw/zinc/29/11/80/222291180.db2.gz CAAJCMVOLJSFIR-OAHLLOKOSA-N 2 1 314.499 1.015 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CCc2ccccc21 ZINC000262805009 222295131 /nfs/dbraw/zinc/29/51/31/222295131.db2.gz SJXOPBYPYSXWEY-YJBOKZPZSA-N 2 1 316.449 1.209 20 30 DDEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262809892 222295726 /nfs/dbraw/zinc/29/57/26/222295726.db2.gz TZPIYQZJPZSBRQ-DCGLDWPTSA-N 2 1 320.437 1.277 20 30 DDEDMP CCCNC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000267388655 222384560 /nfs/dbraw/zinc/38/45/60/222384560.db2.gz CGSVRTQUQREZKF-UHFFFAOYSA-N 2 1 307.442 1.818 20 30 DDEDMP [NH2+]=C(NCCCc1ccccc1F)NCCC[NH+]1CCOCC1 ZINC000280009315 222524483 /nfs/dbraw/zinc/52/44/83/222524483.db2.gz IPWYOUPTTJXVAM-UHFFFAOYSA-N 2 1 322.428 1.385 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC000364472709 418778654 /nfs/dbraw/zinc/77/86/54/418778654.db2.gz OJSYFMNQMMZYMP-KRWDZBQOSA-N 2 1 315.465 1.497 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000424142984 228235103 /nfs/dbraw/zinc/23/51/03/228235103.db2.gz YQGHNBLNWBXIFZ-OAHLLOKOSA-N 2 1 320.462 1.456 20 30 DDEDMP C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471868116 420953926 /nfs/dbraw/zinc/95/39/26/420953926.db2.gz DDGBXZIOVCRFPH-ROUUACIJSA-N 2 1 315.461 1.961 20 30 DDEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471868116 420953929 /nfs/dbraw/zinc/95/39/29/420953929.db2.gz DDGBXZIOVCRFPH-ROUUACIJSA-N 2 1 315.461 1.961 20 30 DDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000557874809 421792726 /nfs/dbraw/zinc/79/27/26/421792726.db2.gz CIBOXJPEDZNWIY-QAPCUYQASA-N 2 1 312.417 1.786 20 30 DDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000557874809 421792728 /nfs/dbraw/zinc/79/27/28/421792728.db2.gz CIBOXJPEDZNWIY-QAPCUYQASA-N 2 1 312.417 1.786 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000583930257 422220882 /nfs/dbraw/zinc/22/08/82/422220882.db2.gz VXVBSHNDVNAUHS-OIISXLGYSA-N 2 1 317.433 1.565 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293217 424552059 /nfs/dbraw/zinc/55/20/59/424552059.db2.gz DIYKRRSTNLWTPW-KRWDZBQOSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)nn1 ZINC000655940084 424694917 /nfs/dbraw/zinc/69/49/17/424694917.db2.gz OVLZYCVYNPIBNO-WBVHZDCISA-N 2 1 319.453 1.573 20 30 DDEDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000344167441 267181757 /nfs/dbraw/zinc/18/17/57/267181757.db2.gz KWSFLPTVECIZDY-YOEHRIQHSA-N 2 1 314.433 1.796 20 30 DDEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330275169 288071899 /nfs/dbraw/zinc/07/18/99/288071899.db2.gz LCVQEMXGDRUWIQ-RDBSUJKOSA-N 2 1 305.426 1.384 20 30 DDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330275169 288071900 /nfs/dbraw/zinc/07/19/00/288071900.db2.gz LCVQEMXGDRUWIQ-RDBSUJKOSA-N 2 1 305.426 1.384 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000671242441 484978468 /nfs/dbraw/zinc/97/84/68/484978468.db2.gz UNYFFNHVYMMCGK-ROUUACIJSA-N 2 1 306.498 1.042 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000337196883 526506790 /nfs/dbraw/zinc/50/67/90/526506790.db2.gz XVLXWNGAWJRRCT-GJZGRUSLSA-N 2 1 302.422 1.462 20 30 DDEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000337196883 526506794 /nfs/dbraw/zinc/50/67/94/526506794.db2.gz XVLXWNGAWJRRCT-GJZGRUSLSA-N 2 1 302.422 1.462 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000491689204 526814604 /nfs/dbraw/zinc/81/46/04/526814604.db2.gz HHPMFBKWOYQPPA-CVEARBPZSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000491689204 526814611 /nfs/dbraw/zinc/81/46/11/526814611.db2.gz HHPMFBKWOYQPPA-CVEARBPZSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000491689204 526814616 /nfs/dbraw/zinc/81/46/16/526814616.db2.gz HHPMFBKWOYQPPA-CVEARBPZSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000491668052 526814857 /nfs/dbraw/zinc/81/48/57/526814857.db2.gz SHOIYUXVSZIBMF-UHFFFAOYSA-N 2 1 322.497 1.753 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000491719317 526816203 /nfs/dbraw/zinc/81/62/03/526816203.db2.gz YVCPAORZDNDDAD-QGZVFWFLSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000491719317 526816206 /nfs/dbraw/zinc/81/62/06/526816206.db2.gz YVCPAORZDNDDAD-QGZVFWFLSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000491719317 526816209 /nfs/dbraw/zinc/81/62/09/526816209.db2.gz YVCPAORZDNDDAD-QGZVFWFLSA-N 2 1 322.497 1.895 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974652005 695704351 /nfs/dbraw/zinc/70/43/51/695704351.db2.gz OKCDBNMECFXNIM-SJORKVTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652005 695704353 /nfs/dbraw/zinc/70/43/53/695704353.db2.gz OKCDBNMECFXNIM-SJORKVTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974652005 695704356 /nfs/dbraw/zinc/70/43/56/695704356.db2.gz OKCDBNMECFXNIM-SJORKVTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974760206 695728628 /nfs/dbraw/zinc/72/86/28/695728628.db2.gz OYMIYVXTIPMDOT-JKSUJKDBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974760206 695728630 /nfs/dbraw/zinc/72/86/30/695728630.db2.gz OYMIYVXTIPMDOT-JKSUJKDBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974760206 695728631 /nfs/dbraw/zinc/72/86/31/695728631.db2.gz OYMIYVXTIPMDOT-JKSUJKDBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974760206 695728632 /nfs/dbraw/zinc/72/86/32/695728632.db2.gz OYMIYVXTIPMDOT-JKSUJKDBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000974769749 695730676 /nfs/dbraw/zinc/73/06/76/695730676.db2.gz ANXRFXDHJUZZMW-INIZCTEOSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974942165 695763179 /nfs/dbraw/zinc/76/31/79/695763179.db2.gz CFIJULXIBVXFOR-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974942165 695763181 /nfs/dbraw/zinc/76/31/81/695763181.db2.gz CFIJULXIBVXFOR-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974942165 695763183 /nfs/dbraw/zinc/76/31/83/695763183.db2.gz CFIJULXIBVXFOR-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977211121 696075114 /nfs/dbraw/zinc/07/51/14/696075114.db2.gz CHSVJBIWBDNMBT-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC000978220353 696344295 /nfs/dbraw/zinc/34/42/95/696344295.db2.gz FHRBHLKUZGWWPY-QKDCVEJESA-N 2 1 317.458 1.351 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC000979086916 696493584 /nfs/dbraw/zinc/49/35/84/696493584.db2.gz IPWVCNAWOZLXJA-NNZMDNLPSA-N 2 1 311.429 1.289 20 30 DDEDMP C[NH+]=C(NCCc1csc(C)n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083125465 696551620 /nfs/dbraw/zinc/55/16/20/696551620.db2.gz YETGXFCEXCGNFA-LBPRGKRZSA-N 2 1 307.467 1.396 20 30 DDEDMP C[NH+]=C(NCCc1csc(C)n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083125465 696551622 /nfs/dbraw/zinc/55/16/22/696551622.db2.gz YETGXFCEXCGNFA-LBPRGKRZSA-N 2 1 307.467 1.396 20 30 DDEDMP CCc1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000104174577 696619419 /nfs/dbraw/zinc/61/94/19/696619419.db2.gz GJLXWHNHAIBFIH-HNNXBMFYSA-N 2 1 317.481 1.859 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(F)cc1 ZINC000104182137 696619424 /nfs/dbraw/zinc/61/94/24/696619424.db2.gz SUHDDMMLSXOFEJ-HNNXBMFYSA-N 2 1 322.428 1.983 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980176966 696700927 /nfs/dbraw/zinc/70/09/27/696700927.db2.gz MIONMQSSOMMQDL-YESZJQIVSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982151524 697044024 /nfs/dbraw/zinc/04/40/24/697044024.db2.gz FECWYJCTOPVZEC-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982151524 697044026 /nfs/dbraw/zinc/04/40/26/697044026.db2.gz FECWYJCTOPVZEC-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982151524 697044028 /nfs/dbraw/zinc/04/40/28/697044028.db2.gz FECWYJCTOPVZEC-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982160920 697045646 /nfs/dbraw/zinc/04/56/46/697045646.db2.gz GDJUYXRTRYKTSI-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374099 697116828 /nfs/dbraw/zinc/11/68/28/697116828.db2.gz MKJNUGQUZGBPPD-CALCHBBNSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374099 697116829 /nfs/dbraw/zinc/11/68/29/697116829.db2.gz MKJNUGQUZGBPPD-CALCHBBNSA-N 2 1 302.422 1.548 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554324 697149344 /nfs/dbraw/zinc/14/93/44/697149344.db2.gz VHGNOVPWDGGICB-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554324 697149345 /nfs/dbraw/zinc/14/93/45/697149345.db2.gz VHGNOVPWDGGICB-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982554324 697149346 /nfs/dbraw/zinc/14/93/46/697149346.db2.gz VHGNOVPWDGGICB-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC[C@]1(C)CCCS1 ZINC000159278411 697308734 /nfs/dbraw/zinc/30/87/34/697308734.db2.gz ZSUDLUVNZQHFJW-BBRMVZONSA-N 2 1 310.511 1.921 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC[C@@H]1CC[N@@H+](C)C1 ZINC000174055672 697383482 /nfs/dbraw/zinc/38/34/82/697383482.db2.gz PIQKELZJOKPGAI-HOCLYGCPSA-N 2 1 300.450 1.833 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000986960212 697960365 /nfs/dbraw/zinc/96/03/65/697960365.db2.gz OMUHDDYGAPNUTG-ZFWWWQNUSA-N 2 1 318.421 1.649 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989192964 698553433 /nfs/dbraw/zinc/55/34/33/698553433.db2.gz HLTJXJBORKOZSN-LSDHHAIUSA-N 2 1 316.449 1.917 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN(C)c1ccccc1 ZINC000303770137 698605571 /nfs/dbraw/zinc/60/55/71/698605571.db2.gz BPTWOBXAINUGHG-QGZVFWFLSA-N 2 1 317.481 1.902 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@@H](F)CC)CC2)CC1 ZINC000989734911 698745313 /nfs/dbraw/zinc/74/53/13/698745313.db2.gz KBDJWQBNBGOGFO-KRWDZBQOSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@@H](F)CC)CC2)CC1 ZINC000989734911 698745315 /nfs/dbraw/zinc/74/53/15/698745315.db2.gz KBDJWQBNBGOGFO-KRWDZBQOSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991860384 699426084 /nfs/dbraw/zinc/42/60/84/699426084.db2.gz LJERBAFDVWLVMX-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991860384 699426086 /nfs/dbraw/zinc/42/60/86/699426086.db2.gz LJERBAFDVWLVMX-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764444138 700971079 /nfs/dbraw/zinc/97/10/79/700971079.db2.gz ORPSVQJDLFHMMJ-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764444138 700971080 /nfs/dbraw/zinc/97/10/80/700971080.db2.gz ORPSVQJDLFHMMJ-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000870908010 704163261 /nfs/dbraw/zinc/16/32/61/704163261.db2.gz CVELEJDPOCCNAT-QGZVFWFLSA-N 2 1 301.434 1.803 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000856477207 704530325 /nfs/dbraw/zinc/53/03/25/704530325.db2.gz OEBLFFRYCUNIIP-KRWDZBQOSA-N 2 1 317.477 1.570 20 30 DDEDMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876739743 705850722 /nfs/dbraw/zinc/85/07/22/705850722.db2.gz ICDLDRZSXZFEAK-WMLDXEAASA-N 2 1 312.417 1.203 20 30 DDEDMP C=CC[C@H](C(=O)OC)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000878427502 706384066 /nfs/dbraw/zinc/38/40/66/706384066.db2.gz MKOLCADNWZMWST-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCO1 ZINC000883185748 707950350 /nfs/dbraw/zinc/95/03/50/707950350.db2.gz DHWRRFVPXJAHMI-IXDOHACOSA-N 2 1 323.481 1.677 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884204351 708188620 /nfs/dbraw/zinc/18/86/20/708188620.db2.gz TZPKBKGRHPVMKD-VUGNNNGISA-N 2 1 318.465 1.362 20 30 DDEDMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884221395 708196903 /nfs/dbraw/zinc/19/69/03/708196903.db2.gz QZURHHXOABFKOB-BNQMIIOLSA-N 2 1 318.465 1.506 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C)C1 ZINC000884226168 708198988 /nfs/dbraw/zinc/19/89/88/708198988.db2.gz MCUJPURNWGJYCS-YOUGENKZSA-N 2 1 318.465 1.314 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC[C@H]21 ZINC000884328123 708247013 /nfs/dbraw/zinc/24/70/13/708247013.db2.gz JGOPRDRHHSJKMZ-XTCFQUFBSA-N 2 1 316.449 1.068 20 30 DDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CCC1(C)C ZINC000884465169 708307594 /nfs/dbraw/zinc/30/75/94/708307594.db2.gz QGAHHTMWRISCTG-XOYHFGRZSA-N 2 1 304.438 1.068 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000890368909 709842583 /nfs/dbraw/zinc/84/25/83/709842583.db2.gz ODDBIYUQQVLHLF-HRCADAONSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000890368909 709842588 /nfs/dbraw/zinc/84/25/88/709842588.db2.gz ODDBIYUQQVLHLF-HRCADAONSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000890368909 709842593 /nfs/dbraw/zinc/84/25/93/709842593.db2.gz ODDBIYUQQVLHLF-HRCADAONSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000890368909 709842598 /nfs/dbraw/zinc/84/25/98/709842598.db2.gz ODDBIYUQQVLHLF-HRCADAONSA-N 2 1 306.454 1.066 20 30 DDEDMP CC(C)(C)NC(NCCC[NH+]1CCOCC1)=[NH+]CCC1CC1 ZINC000912507208 711357811 /nfs/dbraw/zinc/35/78/11/711357811.db2.gz XLYMGSHCWQOMNR-UHFFFAOYSA-N 2 1 310.486 1.843 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC000896488316 711732027 /nfs/dbraw/zinc/73/20/27/711732027.db2.gz GSOVYDJJFPZINZ-SJORKVTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC000896488316 711732028 /nfs/dbraw/zinc/73/20/28/711732028.db2.gz GSOVYDJJFPZINZ-SJORKVTESA-N 2 1 320.481 1.457 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2)CC1 ZINC000905788223 712146422 /nfs/dbraw/zinc/14/64/22/712146422.db2.gz KNXQZOKVOTYTMV-KRWDZBQOSA-N 2 1 311.433 1.972 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943289904 718068822 /nfs/dbraw/zinc/06/88/22/718068822.db2.gz SRMDJYKHLFZCSQ-GJZGRUSLSA-N 2 1 302.422 1.466 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943289904 718068825 /nfs/dbraw/zinc/06/88/25/718068825.db2.gz SRMDJYKHLFZCSQ-GJZGRUSLSA-N 2 1 302.422 1.466 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC000960345542 716498683 /nfs/dbraw/zinc/49/86/83/716498683.db2.gz KBSGTAWRWLNWCG-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC000960345542 716498684 /nfs/dbraw/zinc/49/86/84/716498684.db2.gz KBSGTAWRWLNWCG-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)C)C[C@H]21 ZINC000960345542 716498685 /nfs/dbraw/zinc/49/86/85/716498685.db2.gz KBSGTAWRWLNWCG-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)C)C[C@H]21 ZINC000960345542 716498686 /nfs/dbraw/zinc/49/86/86/716498686.db2.gz KBSGTAWRWLNWCG-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940647251 716894955 /nfs/dbraw/zinc/89/49/55/716894955.db2.gz OMZUANUPAMSKGS-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940647251 716894958 /nfs/dbraw/zinc/89/49/58/716894958.db2.gz OMZUANUPAMSKGS-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647251 716894962 /nfs/dbraw/zinc/89/49/62/716894962.db2.gz OMZUANUPAMSKGS-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647251 716894966 /nfs/dbraw/zinc/89/49/66/716894966.db2.gz OMZUANUPAMSKGS-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000961562185 717004345 /nfs/dbraw/zinc/00/43/45/717004345.db2.gz YYMVFTYBTZMMDG-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961562185 717004350 /nfs/dbraw/zinc/00/43/50/717004350.db2.gz YYMVFTYBTZMMDG-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961562185 717004352 /nfs/dbraw/zinc/00/43/52/717004352.db2.gz YYMVFTYBTZMMDG-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC000961616898 717031173 /nfs/dbraw/zinc/03/11/73/717031173.db2.gz NECLPTGIJZGNIF-FICVDOATSA-N 2 1 303.406 1.577 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C(C)(C)C1 ZINC000940973959 717055727 /nfs/dbraw/zinc/05/57/27/717055727.db2.gz ZYVXVBUPIGHIHZ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973959 717055730 /nfs/dbraw/zinc/05/57/30/717055730.db2.gz ZYVXVBUPIGHIHZ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973959 717055732 /nfs/dbraw/zinc/05/57/32/717055732.db2.gz ZYVXVBUPIGHIHZ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973959 717055734 /nfs/dbraw/zinc/05/57/34/717055734.db2.gz ZYVXVBUPIGHIHZ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973959 717055736 /nfs/dbraw/zinc/05/57/36/717055736.db2.gz ZYVXVBUPIGHIHZ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027630 717079781 /nfs/dbraw/zinc/07/97/81/717079781.db2.gz WWZJZXJFHPATPD-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027630 717079783 /nfs/dbraw/zinc/07/97/83/717079783.db2.gz WWZJZXJFHPATPD-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027630 717079786 /nfs/dbraw/zinc/07/97/86/717079786.db2.gz WWZJZXJFHPATPD-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078249 717097143 /nfs/dbraw/zinc/09/71/43/717097143.db2.gz BPOITKMXGLQHIY-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166286 717120106 /nfs/dbraw/zinc/12/01/06/717120106.db2.gz FIBWDSKYEVZRLA-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942171980 717522944 /nfs/dbraw/zinc/52/29/44/717522944.db2.gz HVEIIUQMRKUABX-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000965848056 717782255 /nfs/dbraw/zinc/78/22/55/717782255.db2.gz VTSSHJYKUCKCAM-JFPDKAJLSA-N 2 1 305.466 1.921 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942823154 717878618 /nfs/dbraw/zinc/87/86/18/717878618.db2.gz RUDLVPKSDYLFFC-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942823154 717878623 /nfs/dbraw/zinc/87/86/23/717878623.db2.gz RUDLVPKSDYLFFC-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942823154 717878628 /nfs/dbraw/zinc/87/86/28/717878628.db2.gz RUDLVPKSDYLFFC-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905180 718704857 /nfs/dbraw/zinc/70/48/57/718704857.db2.gz ZQPMCUVDFKEGMI-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905180 718704858 /nfs/dbraw/zinc/70/48/58/718704858.db2.gz ZQPMCUVDFKEGMI-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639677 718862782 /nfs/dbraw/zinc/86/27/82/718862782.db2.gz FKLMOUUGHLGCOP-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639677 718862786 /nfs/dbraw/zinc/86/27/86/718862786.db2.gz FKLMOUUGHLGCOP-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639677 718862791 /nfs/dbraw/zinc/86/27/91/718862791.db2.gz FKLMOUUGHLGCOP-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946639677 718862797 /nfs/dbraw/zinc/86/27/97/718862797.db2.gz FKLMOUUGHLGCOP-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946894768 718938304 /nfs/dbraw/zinc/93/83/04/718938304.db2.gz GZQKDMXRCCXSGO-CALCHBBNSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946894768 718938306 /nfs/dbraw/zinc/93/83/06/718938306.db2.gz GZQKDMXRCCXSGO-CALCHBBNSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947505765 719190812 /nfs/dbraw/zinc/19/08/12/719190812.db2.gz DWYLAWBWGHZFLH-HOCLYGCPSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947939490 719312749 /nfs/dbraw/zinc/31/27/49/719312749.db2.gz IKINSLCKMBRFIR-LSDHHAIUSA-N 2 1 314.433 1.754 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553215 719543485 /nfs/dbraw/zinc/54/34/85/719543485.db2.gz FPDNIYYBXWPJTI-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553215 719543490 /nfs/dbraw/zinc/54/34/90/719543490.db2.gz FPDNIYYBXWPJTI-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553215 719543493 /nfs/dbraw/zinc/54/34/93/719543493.db2.gz FPDNIYYBXWPJTI-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C(C)C)CC[C@H]2C)CC1 ZINC000968682403 719733648 /nfs/dbraw/zinc/73/36/48/719733648.db2.gz RAXNRTJRNPOAGD-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856541 719825889 /nfs/dbraw/zinc/82/58/89/719825889.db2.gz KBKUHAAKFKGKBY-QZTJIDSGSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153564 719978627 /nfs/dbraw/zinc/97/86/27/719978627.db2.gz KAMSVRWEISGEQV-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153564 719978631 /nfs/dbraw/zinc/97/86/31/719978631.db2.gz KAMSVRWEISGEQV-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153564 719978634 /nfs/dbraw/zinc/97/86/34/719978634.db2.gz KAMSVRWEISGEQV-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153564 719978637 /nfs/dbraw/zinc/97/86/37/719978637.db2.gz KAMSVRWEISGEQV-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970339542 720718977 /nfs/dbraw/zinc/71/89/77/720718977.db2.gz UGZNJCCBAVPQQP-OCCSQVGLSA-N 2 1 302.422 1.376 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550058 735304748 /nfs/dbraw/zinc/30/47/48/735304748.db2.gz TVSZDZUHHBWAMC-ROUUACIJSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554972 735309718 /nfs/dbraw/zinc/30/97/18/735309718.db2.gz RXGOZHNEEKCNPB-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632895 735364275 /nfs/dbraw/zinc/36/42/75/735364275.db2.gz RJCUQOBEWIVLCN-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632895 735364277 /nfs/dbraw/zinc/36/42/77/735364277.db2.gz RJCUQOBEWIVLCN-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001023651110 735373957 /nfs/dbraw/zinc/37/39/57/735373957.db2.gz INOCJZTYNMGWCL-QGZVFWFLSA-N 2 1 313.445 1.823 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023672130 735388295 /nfs/dbraw/zinc/38/82/95/735388295.db2.gz USKGFYJDZHARGB-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023672130 735388296 /nfs/dbraw/zinc/38/82/96/735388296.db2.gz USKGFYJDZHARGB-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193588 732598651 /nfs/dbraw/zinc/59/86/51/732598651.db2.gz YUWKHJOWTUSQNG-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193588 732598655 /nfs/dbraw/zinc/59/86/55/732598655.db2.gz YUWKHJOWTUSQNG-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@H]2C1 ZINC001083193588 732598660 /nfs/dbraw/zinc/59/86/60/732598660.db2.gz YUWKHJOWTUSQNG-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663729 733417333 /nfs/dbraw/zinc/41/73/33/733417333.db2.gz DRQDEPQGSDRIPY-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021692518 733454671 /nfs/dbraw/zinc/45/46/71/733454671.db2.gz ULRCXCCBENWUPQ-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021692518 733454672 /nfs/dbraw/zinc/45/46/72/733454672.db2.gz ULRCXCCBENWUPQ-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027924190 738814725 /nfs/dbraw/zinc/81/47/25/738814725.db2.gz DUDYMWWQTOEKQO-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027924190 738814729 /nfs/dbraw/zinc/81/47/29/738814729.db2.gz DUDYMWWQTOEKQO-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027924190 738814733 /nfs/dbraw/zinc/81/47/33/738814733.db2.gz DUDYMWWQTOEKQO-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561988 734649285 /nfs/dbraw/zinc/64/92/85/734649285.db2.gz RCWNUMJDTZGSLN-UHFFFAOYSA-N 2 1 323.481 1.334 20 30 DDEDMP CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247211 734899821 /nfs/dbraw/zinc/89/98/21/734899821.db2.gz IGWUBDJKTXEJGY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247211 734899823 /nfs/dbraw/zinc/89/98/23/734899823.db2.gz IGWUBDJKTXEJGY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247211 734899826 /nfs/dbraw/zinc/89/98/26/734899826.db2.gz IGWUBDJKTXEJGY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247211 734899828 /nfs/dbraw/zinc/89/98/28/734899828.db2.gz IGWUBDJKTXEJGY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247211 734899830 /nfs/dbraw/zinc/89/98/30/734899830.db2.gz IGWUBDJKTXEJGY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001023083969 735029935 /nfs/dbraw/zinc/02/99/35/735029935.db2.gz FRQWJUPETKHGSH-ZACQAIPSSA-N 2 1 312.417 1.247 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023451099 735243661 /nfs/dbraw/zinc/24/36/61/735243661.db2.gz FQQNANYUCSLUOY-HOTGVXAUSA-N 2 1 314.433 1.297 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447739 735243677 /nfs/dbraw/zinc/24/36/77/735243677.db2.gz VHJKMMQDFHALGL-CVEARBPZSA-N 2 1 314.433 1.297 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023451811 735247219 /nfs/dbraw/zinc/24/72/19/735247219.db2.gz MPFCMULFTXCYNH-HOTGVXAUSA-N 2 1 314.433 1.297 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254516 751360574 /nfs/dbraw/zinc/36/05/74/751360574.db2.gz KIMGHEBQPWCSKM-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254516 751360581 /nfs/dbraw/zinc/36/05/81/751360581.db2.gz KIMGHEBQPWCSKM-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647390 735999849 /nfs/dbraw/zinc/99/98/49/735999849.db2.gz MMWLVLPQIGWCOP-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647390 735999851 /nfs/dbraw/zinc/99/98/51/735999851.db2.gz MMWLVLPQIGWCOP-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001025227855 736378183 /nfs/dbraw/zinc/37/81/83/736378183.db2.gz SWQYAPODEBYGBE-CVEARBPZSA-N 2 1 314.433 1.821 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239628 736386386 /nfs/dbraw/zinc/38/63/86/736386386.db2.gz HANKBRCZTAWXDY-DLBZAZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520101 736738037 /nfs/dbraw/zinc/73/80/37/736738037.db2.gz AUXNYGFZCKCDES-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC=C)C2)CC1 ZINC001025629031 736795695 /nfs/dbraw/zinc/79/56/95/736795695.db2.gz ZBXIAQSPGYPTRB-WMZOPIPTSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]21 ZINC001025814087 736870750 /nfs/dbraw/zinc/87/07/50/736870750.db2.gz PCKUROGHGPRMKL-ZOFXXKQRSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001025814087 736870754 /nfs/dbraw/zinc/87/07/54/736870754.db2.gz PCKUROGHGPRMKL-ZOFXXKQRSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]21 ZINC001025814087 736870758 /nfs/dbraw/zinc/87/07/58/736870758.db2.gz PCKUROGHGPRMKL-ZOFXXKQRSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](C)CC)C[C@H]21 ZINC001025814087 736870760 /nfs/dbraw/zinc/87/07/60/736870760.db2.gz PCKUROGHGPRMKL-ZOFXXKQRSA-N 2 1 303.450 1.177 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C1 ZINC001104872514 737317196 /nfs/dbraw/zinc/31/71/96/737317196.db2.gz LUUJTKGWYFKFFT-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099983 739035164 /nfs/dbraw/zinc/03/51/64/739035164.db2.gz DFKSXVUPNAMOEQ-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099983 739035170 /nfs/dbraw/zinc/03/51/70/739035170.db2.gz DFKSXVUPNAMOEQ-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138455 739080500 /nfs/dbraw/zinc/08/05/00/739080500.db2.gz TUNXAHAYYNDNKJ-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138455 739080503 /nfs/dbraw/zinc/08/05/03/739080503.db2.gz TUNXAHAYYNDNKJ-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP CN(C)C=[NH+]c1ccc(NC(=[NH2+])NCCCC[NH3+])cc1C#N ZINC001167881419 739174266 /nfs/dbraw/zinc/17/42/66/739174266.db2.gz GNMMVOZPXQILET-RGVLZGJSSA-N 3 1 301.398 1.455 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001032587694 751431484 /nfs/dbraw/zinc/43/14/84/751431484.db2.gz PZLDVNDOVXCFHL-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001032587694 751431490 /nfs/dbraw/zinc/43/14/90/751431490.db2.gz PZLDVNDOVXCFHL-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001032587694 751431492 /nfs/dbraw/zinc/43/14/92/751431492.db2.gz PZLDVNDOVXCFHL-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001032587694 751431497 /nfs/dbraw/zinc/43/14/97/751431497.db2.gz PZLDVNDOVXCFHL-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CN1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035361648 751446680 /nfs/dbraw/zinc/44/66/80/751446680.db2.gz OEJGPKJHPFFOPO-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035424050 751483014 /nfs/dbraw/zinc/48/30/14/751483014.db2.gz QZYUQSABFGMBQF-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035424050 751483017 /nfs/dbraw/zinc/48/30/17/751483017.db2.gz QZYUQSABFGMBQF-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035424050 751483019 /nfs/dbraw/zinc/48/30/19/751483019.db2.gz QZYUQSABFGMBQF-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001035424050 751483022 /nfs/dbraw/zinc/48/30/22/751483022.db2.gz QZYUQSABFGMBQF-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001029003621 740248498 /nfs/dbraw/zinc/24/84/98/740248498.db2.gz OISKGQCXFZSVMG-HZPDHXFCSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569774 740658956 /nfs/dbraw/zinc/65/89/56/740658956.db2.gz MNNXPHBENRSSJL-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569774 740658959 /nfs/dbraw/zinc/65/89/59/740658959.db2.gz MNNXPHBENRSSJL-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569774 740658962 /nfs/dbraw/zinc/65/89/62/740658962.db2.gz MNNXPHBENRSSJL-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087598303 740671323 /nfs/dbraw/zinc/67/13/23/740671323.db2.gz CALHERCUTAIRHV-OKZBNKHCSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087598303 740671324 /nfs/dbraw/zinc/67/13/24/740671324.db2.gz CALHERCUTAIRHV-OKZBNKHCSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087598303 740671327 /nfs/dbraw/zinc/67/13/27/740671327.db2.gz CALHERCUTAIRHV-OKZBNKHCSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107192 741035511 /nfs/dbraw/zinc/03/55/11/741035511.db2.gz LTSZDQBFQUULFG-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107192 741035516 /nfs/dbraw/zinc/03/55/16/741035516.db2.gz LTSZDQBFQUULFG-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088107192 741035522 /nfs/dbraw/zinc/03/55/22/741035522.db2.gz LTSZDQBFQUULFG-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1 ZINC001088329456 741393044 /nfs/dbraw/zinc/39/30/44/741393044.db2.gz YAHYSJMVVIIWEJ-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1 ZINC001088329456 741393047 /nfs/dbraw/zinc/39/30/47/741393047.db2.gz YAHYSJMVVIIWEJ-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168138967 741566490 /nfs/dbraw/zinc/56/64/90/741566490.db2.gz VXSHUVHXWMSCHN-OAHLLOKOSA-N 2 1 309.454 1.017 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075904888 741882964 /nfs/dbraw/zinc/88/29/64/741882964.db2.gz RXQZOPZVHZHUMF-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075904888 741882967 /nfs/dbraw/zinc/88/29/67/741882967.db2.gz RXQZOPZVHZHUMF-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001075904888 741882969 /nfs/dbraw/zinc/88/29/69/741882969.db2.gz RXQZOPZVHZHUMF-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088689129 742111558 /nfs/dbraw/zinc/11/15/58/742111558.db2.gz LGNLDWYNSMHMDF-PBHICJAKSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001075967761 742289254 /nfs/dbraw/zinc/28/92/54/742289254.db2.gz UYAWGXBQCSBGDD-YQQAZPJKSA-N 2 1 312.417 1.002 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001075968029 742289278 /nfs/dbraw/zinc/28/92/78/742289278.db2.gz ZFZXVZUINIEOTJ-ZMSDIMECSA-N 2 1 314.433 1.554 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035733287 751826922 /nfs/dbraw/zinc/82/69/22/751826922.db2.gz PXVSTRHZQNTJHD-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001105721877 743760670 /nfs/dbraw/zinc/76/06/70/743760670.db2.gz OHKOZCHEFICTGR-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001183038567 743767014 /nfs/dbraw/zinc/76/70/14/743767014.db2.gz CMCQAPXEFFFGHW-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517230 743846273 /nfs/dbraw/zinc/84/62/73/743846273.db2.gz WKSHJRJELMKRFB-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184331267 744023609 /nfs/dbraw/zinc/02/36/09/744023609.db2.gz OKPJESFXQUIZDB-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430159 744203211 /nfs/dbraw/zinc/20/32/11/744203211.db2.gz IUGAHEKWNVQOFZ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110975 744600675 /nfs/dbraw/zinc/60/06/75/744600675.db2.gz NHIDNHXZVGSBGL-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107771 744660993 /nfs/dbraw/zinc/66/09/93/744660993.db2.gz YJCLPLCQBMXAJB-ARFHVFGLSA-N 2 1 311.445 1.775 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992187414 744672955 /nfs/dbraw/zinc/67/29/55/744672955.db2.gz JDQBPXLLMSMGJP-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC000992187414 744672957 /nfs/dbraw/zinc/67/29/57/744672957.db2.gz JDQBPXLLMSMGJP-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099199462 745389235 /nfs/dbraw/zinc/38/92/35/745389235.db2.gz MPYNERZSPIVJDY-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070478 745418171 /nfs/dbraw/zinc/41/81/71/745418171.db2.gz PMINGASWNUCQMN-ZDUSSCGKSA-N 2 1 306.410 1.459 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191070478 745418174 /nfs/dbraw/zinc/41/81/74/745418174.db2.gz PMINGASWNUCQMN-ZDUSSCGKSA-N 2 1 306.410 1.459 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255781 745473320 /nfs/dbraw/zinc/47/33/20/745473320.db2.gz IPJJXMSGRGPLJK-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322084 745602023 /nfs/dbraw/zinc/60/20/23/745602023.db2.gz IVRDWCKYOCNPPT-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099240991 745852612 /nfs/dbraw/zinc/85/26/12/745852612.db2.gz XDBROGITJJYYMK-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240991 745852618 /nfs/dbraw/zinc/85/26/18/745852618.db2.gz XDBROGITJJYYMK-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240991 745852622 /nfs/dbraw/zinc/85/26/22/745852622.db2.gz XDBROGITJJYYMK-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671876 745857793 /nfs/dbraw/zinc/85/77/93/745857793.db2.gz SATNZXHUMBJDBH-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671876 745857795 /nfs/dbraw/zinc/85/77/95/745857795.db2.gz SATNZXHUMBJDBH-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671876 745857797 /nfs/dbraw/zinc/85/77/97/745857797.db2.gz SATNZXHUMBJDBH-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866979 745908263 /nfs/dbraw/zinc/90/82/63/745908263.db2.gz PDZJWRDYJAXZOA-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866979 745908265 /nfs/dbraw/zinc/90/82/65/745908265.db2.gz PDZJWRDYJAXZOA-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001193579770 746137867 /nfs/dbraw/zinc/13/78/67/746137867.db2.gz PBNQFDSVZSYSQB-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245728 746318414 /nfs/dbraw/zinc/31/84/14/746318414.db2.gz CWADIJISNGIDKU-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993809391 746331655 /nfs/dbraw/zinc/33/16/55/746331655.db2.gz VXQDCBNUCNRYKR-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993809391 746331661 /nfs/dbraw/zinc/33/16/61/746331661.db2.gz VXQDCBNUCNRYKR-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197825117 747290576 /nfs/dbraw/zinc/29/05/76/747290576.db2.gz YRXGESGZQXPVJZ-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689718 747660516 /nfs/dbraw/zinc/66/05/16/747660516.db2.gz IERPPSSIDQQGAY-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085802 748224384 /nfs/dbraw/zinc/22/43/84/748224384.db2.gz XDCWBRVDWVZMOT-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200635834 748298378 /nfs/dbraw/zinc/29/83/78/748298378.db2.gz WNOXCEWGKGWUEW-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036205852 752258788 /nfs/dbraw/zinc/25/87/88/752258788.db2.gz YPUJKJKZNFCBDB-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200703867 748324230 /nfs/dbraw/zinc/32/42/30/748324230.db2.gz DVXLZOIEKJOTSF-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720902 748328088 /nfs/dbraw/zinc/32/80/88/748328088.db2.gz DYLUVKUMQDOUFD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001201094825 748409338 /nfs/dbraw/zinc/40/93/38/748409338.db2.gz WXCJEDSDRCYTDS-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@H](C)F)CC1 ZINC001201094825 748409340 /nfs/dbraw/zinc/40/93/40/748409340.db2.gz WXCJEDSDRCYTDS-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001201094452 748409466 /nfs/dbraw/zinc/40/94/66/748409466.db2.gz SJMFLKSJDUWCPL-KRWDZBQOSA-N 2 1 323.456 1.804 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCCF)CC1 ZINC001201094452 748409469 /nfs/dbraw/zinc/40/94/69/748409469.db2.gz SJMFLKSJDUWCPL-KRWDZBQOSA-N 2 1 323.456 1.804 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201225656 748451083 /nfs/dbraw/zinc/45/10/83/748451083.db2.gz MZLHIURNHNGWFF-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201402339 748498526 /nfs/dbraw/zinc/49/85/26/748498526.db2.gz COLVMJBPGUAWBM-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004522893 748510738 /nfs/dbraw/zinc/51/07/38/748510738.db2.gz MLOULZWUPJIYFG-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147795 748696166 /nfs/dbraw/zinc/69/61/66/748696166.db2.gz JXMHQAJHLNPRFJ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001114427133 749195553 /nfs/dbraw/zinc/19/55/53/749195553.db2.gz ZAXNXFLOVFYKDR-NYTXWWLZSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114427133 749195555 /nfs/dbraw/zinc/19/55/55/749195555.db2.gz ZAXNXFLOVFYKDR-NYTXWWLZSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114427133 749195556 /nfs/dbraw/zinc/19/55/56/749195556.db2.gz ZAXNXFLOVFYKDR-NYTXWWLZSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114427133 749195558 /nfs/dbraw/zinc/19/55/58/749195558.db2.gz ZAXNXFLOVFYKDR-NYTXWWLZSA-N 2 1 311.857 1.660 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995891941 749277716 /nfs/dbraw/zinc/27/77/16/749277716.db2.gz DYNBPDDIUIQZRW-HOTGVXAUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000876838484 749333926 /nfs/dbraw/zinc/33/39/26/749333926.db2.gz KSZHWEDLASILJI-KGLIPLIRSA-N 2 1 323.824 1.638 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033550187 749505214 /nfs/dbraw/zinc/50/52/14/749505214.db2.gz FOPVFGFDEBWSSL-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349796 761969148 /nfs/dbraw/zinc/96/91/48/761969148.db2.gz ORCIMHOVDXUCKV-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349796 761969152 /nfs/dbraw/zinc/96/91/52/761969152.db2.gz ORCIMHOVDXUCKV-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001033685900 749716332 /nfs/dbraw/zinc/71/63/32/749716332.db2.gz WYEMQNXRGUZRLN-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438872 749959246 /nfs/dbraw/zinc/95/92/46/749959246.db2.gz LTZCCURUOMYVFP-ZIFCJYIRSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668053 750124679 /nfs/dbraw/zinc/12/46/79/750124679.db2.gz JVENFDKZXPKARC-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668053 750124683 /nfs/dbraw/zinc/12/46/83/750124683.db2.gz JVENFDKZXPKARC-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415703 762014605 /nfs/dbraw/zinc/01/46/05/762014605.db2.gz QZGMUNZYZJUSRX-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415703 762014615 /nfs/dbraw/zinc/01/46/15/762014615.db2.gz QZGMUNZYZJUSRX-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411266 750628077 /nfs/dbraw/zinc/62/80/77/750628077.db2.gz KQXKELQGISACSH-VQHPVUNQSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107950115 750815748 /nfs/dbraw/zinc/81/57/48/750815748.db2.gz XTVXKLYPNCIOQW-FUHWJXTLSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107950115 750815753 /nfs/dbraw/zinc/81/57/53/750815753.db2.gz XTVXKLYPNCIOQW-FUHWJXTLSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212352887 751075016 /nfs/dbraw/zinc/07/50/16/751075016.db2.gz DAAXKPBIPCCPDY-RBSFLKMASA-N 2 1 315.433 1.058 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008829833 752937931 /nfs/dbraw/zinc/93/79/31/752937931.db2.gz UGSSCNWKVDTAMO-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009626645 753287609 /nfs/dbraw/zinc/28/76/09/753287609.db2.gz JTCZNZOGTWVFQM-QGZVFWFLSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009626645 753287613 /nfs/dbraw/zinc/28/76/13/753287613.db2.gz JTCZNZOGTWVFQM-QGZVFWFLSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001009626637 753287631 /nfs/dbraw/zinc/28/76/31/753287631.db2.gz JORJCTAEECKEMO-KZJSRBBCSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)C2)CC1 ZINC001009626637 753287641 /nfs/dbraw/zinc/28/76/41/753287641.db2.gz JORJCTAEECKEMO-KZJSRBBCSA-N 2 1 323.868 1.665 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077839034 753306009 /nfs/dbraw/zinc/30/60/09/753306009.db2.gz ZQBOTVQPWHQFFX-IAGOWNOFSA-N 2 1 317.433 1.099 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001077923962 753425511 /nfs/dbraw/zinc/42/55/11/753425511.db2.gz LZZCYUOTEIOESQ-IAGOWNOFSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079707559 755540377 /nfs/dbraw/zinc/54/03/77/755540377.db2.gz KNAMVWCBTXQTIK-DJIMGWMZSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844938 755606862 /nfs/dbraw/zinc/60/68/62/755606862.db2.gz HXGCKGVONQGPLZ-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844938 755606866 /nfs/dbraw/zinc/60/68/66/755606866.db2.gz HXGCKGVONQGPLZ-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844938 755606870 /nfs/dbraw/zinc/60/68/70/755606870.db2.gz HXGCKGVONQGPLZ-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441415 755918690 /nfs/dbraw/zinc/91/86/90/755918690.db2.gz LKBAOBOZNOOYMX-RKVPGOIHSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@H]2C)CC1 ZINC001080997649 756180550 /nfs/dbraw/zinc/18/05/50/756180550.db2.gz IBYYHVOFDRZWRD-HYVNUMGLSA-N 2 1 323.456 1.516 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241635 762453748 /nfs/dbraw/zinc/45/37/48/762453748.db2.gz QJSLACYXMBQRCE-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040296208 762480057 /nfs/dbraw/zinc/48/00/57/762480057.db2.gz MBYDOUGMRNZCHF-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040296208 762480062 /nfs/dbraw/zinc/48/00/62/762480062.db2.gz MBYDOUGMRNZCHF-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082200222 756673898 /nfs/dbraw/zinc/67/38/98/756673898.db2.gz WKYDBBJUBMGVOO-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256240 756876326 /nfs/dbraw/zinc/87/63/26/756876326.db2.gz QZBGTISYZVZDJJ-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256240 756876331 /nfs/dbraw/zinc/87/63/31/756876331.db2.gz QZBGTISYZVZDJJ-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256240 756876338 /nfs/dbraw/zinc/87/63/38/756876338.db2.gz QZBGTISYZVZDJJ-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097398077 757141190 /nfs/dbraw/zinc/14/11/90/757141190.db2.gz AHJXDPAJWCTLEF-XYPHTWIQSA-N 2 1 308.385 1.611 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001097398077 757141194 /nfs/dbraw/zinc/14/11/94/757141194.db2.gz AHJXDPAJWCTLEF-XYPHTWIQSA-N 2 1 308.385 1.611 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016650727 757235351 /nfs/dbraw/zinc/23/53/51/757235351.db2.gz BGSMXQZQDLALIL-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084421912 757541720 /nfs/dbraw/zinc/54/17/20/757541720.db2.gz FHNQAWGNHRMAHF-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084421912 757541727 /nfs/dbraw/zinc/54/17/27/757541727.db2.gz FHNQAWGNHRMAHF-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084421912 757541740 /nfs/dbraw/zinc/54/17/40/757541740.db2.gz FHNQAWGNHRMAHF-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442285 757597899 /nfs/dbraw/zinc/59/78/99/757597899.db2.gz AKHYVPBBCZNEQE-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084442285 757597902 /nfs/dbraw/zinc/59/79/02/757597902.db2.gz AKHYVPBBCZNEQE-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545690 757654434 /nfs/dbraw/zinc/65/44/34/757654434.db2.gz VCELSROPNNJRLG-KZNAEPCWSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052870998 757908367 /nfs/dbraw/zinc/90/83/67/757908367.db2.gz AQZAYCVJAFMKEO-AWEZNQCLSA-N 2 1 311.857 1.805 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001017570595 758037727 /nfs/dbraw/zinc/03/77/27/758037727.db2.gz CDDZKGFVYPKXDV-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017570595 758037737 /nfs/dbraw/zinc/03/77/37/758037737.db2.gz CDDZKGFVYPKXDV-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017570595 758037751 /nfs/dbraw/zinc/03/77/51/758037751.db2.gz CDDZKGFVYPKXDV-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017570595 758037761 /nfs/dbraw/zinc/03/77/61/758037761.db2.gz CDDZKGFVYPKXDV-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944669 758084303 /nfs/dbraw/zinc/08/43/03/758084303.db2.gz DXNLUUHGFUGYSO-XDNAFOTISA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944669 758084311 /nfs/dbraw/zinc/08/43/11/758084311.db2.gz DXNLUUHGFUGYSO-XDNAFOTISA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001084944669 758084319 /nfs/dbraw/zinc/08/43/19/758084319.db2.gz DXNLUUHGFUGYSO-XDNAFOTISA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457559 758966975 /nfs/dbraw/zinc/96/69/75/758966975.db2.gz CVVZULFOZQQFFP-ZACQAIPSSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639479 759910456 /nfs/dbraw/zinc/91/04/56/759910456.db2.gz PPQGIGDWZBPUFO-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639479 759910459 /nfs/dbraw/zinc/91/04/59/759910459.db2.gz PPQGIGDWZBPUFO-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639479 759910467 /nfs/dbraw/zinc/91/04/67/759910467.db2.gz PPQGIGDWZBPUFO-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639479 759910474 /nfs/dbraw/zinc/91/04/74/759910474.db2.gz PPQGIGDWZBPUFO-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001054831622 760118396 /nfs/dbraw/zinc/11/83/96/760118396.db2.gz ZBVAUBPRFUYQET-SWLSCSKDSA-N 2 1 306.410 1.362 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085856188 760395221 /nfs/dbraw/zinc/39/52/21/760395221.db2.gz SWDHYVFZTBOLDK-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856188 760395229 /nfs/dbraw/zinc/39/52/29/760395229.db2.gz SWDHYVFZTBOLDK-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856188 760395240 /nfs/dbraw/zinc/39/52/40/760395240.db2.gz SWDHYVFZTBOLDK-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC(C)C)C2)CC1 ZINC001046852630 767985428 /nfs/dbraw/zinc/98/54/28/767985428.db2.gz NZZWPIGNPYJWGB-IBGZPJMESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098404862 760927255 /nfs/dbraw/zinc/92/72/55/760927255.db2.gz WDZWCLPSADBRDM-MRXNPFEDSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038357417 761044630 /nfs/dbraw/zinc/04/46/30/761044630.db2.gz OTMIJTJBFYCAAI-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038357417 761044635 /nfs/dbraw/zinc/04/46/35/761044635.db2.gz OTMIJTJBFYCAAI-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038554114 761193520 /nfs/dbraw/zinc/19/35/20/761193520.db2.gz DWWOEWQHDQYRAH-KRWDZBQOSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038901828 761526330 /nfs/dbraw/zinc/52/63/30/761526330.db2.gz AKRLJSOXPISPNZ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038901828 761526335 /nfs/dbraw/zinc/52/63/35/761526335.db2.gz AKRLJSOXPISPNZ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038901828 761526341 /nfs/dbraw/zinc/52/63/41/761526341.db2.gz AKRLJSOXPISPNZ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038901828 761526348 /nfs/dbraw/zinc/52/63/48/761526348.db2.gz AKRLJSOXPISPNZ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC001039134264 761769363 /nfs/dbraw/zinc/76/93/63/761769363.db2.gz OCVFWQZRWKFAGA-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134264 761769367 /nfs/dbraw/zinc/76/93/67/761769367.db2.gz OCVFWQZRWKFAGA-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001039134264 761769376 /nfs/dbraw/zinc/76/93/76/761769376.db2.gz OCVFWQZRWKFAGA-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339413 762966372 /nfs/dbraw/zinc/96/63/72/762966372.db2.gz OACQONQLDARPOF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339413 762966374 /nfs/dbraw/zinc/96/63/74/762966374.db2.gz OACQONQLDARPOF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339413 762966375 /nfs/dbraw/zinc/96/63/75/762966375.db2.gz OACQONQLDARPOF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050756 763065251 /nfs/dbraw/zinc/06/52/51/763065251.db2.gz GIVROUDCXNTYFD-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050756 763065254 /nfs/dbraw/zinc/06/52/54/763065254.db2.gz GIVROUDCXNTYFD-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050756 763065257 /nfs/dbraw/zinc/06/52/57/763065257.db2.gz GIVROUDCXNTYFD-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046924162 768120449 /nfs/dbraw/zinc/12/04/49/768120449.db2.gz GNGMAPCLKYRORU-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046924162 768120452 /nfs/dbraw/zinc/12/04/52/768120452.db2.gz GNGMAPCLKYRORU-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046924162 768120456 /nfs/dbraw/zinc/12/04/56/768120456.db2.gz GNGMAPCLKYRORU-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001041762862 763298955 /nfs/dbraw/zinc/29/89/55/763298955.db2.gz OEKJVZDUOCDNPK-SFHVURJKSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788285 763331484 /nfs/dbraw/zinc/33/14/84/763331484.db2.gz BBKPPEAXNAKXIR-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832571 763383543 /nfs/dbraw/zinc/38/35/43/763383543.db2.gz BTMHSOKJVQTSBN-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832571 763383556 /nfs/dbraw/zinc/38/35/56/763383556.db2.gz BTMHSOKJVQTSBN-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042129717 763685526 /nfs/dbraw/zinc/68/55/26/763685526.db2.gz AXHRSOKODJDCFP-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001050662624 763886180 /nfs/dbraw/zinc/88/61/80/763886180.db2.gz ACDDEQNOFVGGQJ-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042312736 763901450 /nfs/dbraw/zinc/90/14/50/763901450.db2.gz GBQDGYRXUXADOP-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050766541 764023595 /nfs/dbraw/zinc/02/35/95/764023595.db2.gz QMXOGCKLVBDMGP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001111552954 764299966 /nfs/dbraw/zinc/29/99/66/764299966.db2.gz QSWLQUOALDJIQD-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001098476633 768211403 /nfs/dbraw/zinc/21/14/03/768211403.db2.gz ODHCBTDJJSVNNX-KRWDZBQOSA-N 2 1 323.481 1.025 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563942 764407490 /nfs/dbraw/zinc/40/74/90/764407490.db2.gz VVMVGUHZRLDECJ-BQFCYCMXSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H](C)O2 ZINC001131668686 768250036 /nfs/dbraw/zinc/25/00/36/768250036.db2.gz CABRAMFYFCNTMA-QAPCUYQASA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H](C)O2 ZINC001131668686 768250041 /nfs/dbraw/zinc/25/00/41/768250041.db2.gz CABRAMFYFCNTMA-QAPCUYQASA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H](C)O2 ZINC001131668686 768250044 /nfs/dbraw/zinc/25/00/44/768250044.db2.gz CABRAMFYFCNTMA-QAPCUYQASA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131703765 768272573 /nfs/dbraw/zinc/27/25/73/768272573.db2.gz JDJWTLXFHKLVSZ-FUHWJXTLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131703765 768272577 /nfs/dbraw/zinc/27/25/77/768272577.db2.gz JDJWTLXFHKLVSZ-FUHWJXTLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131703765 768272580 /nfs/dbraw/zinc/27/25/80/768272580.db2.gz JDJWTLXFHKLVSZ-FUHWJXTLSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131693543 768276904 /nfs/dbraw/zinc/27/69/04/768276904.db2.gz QILVUTSVWVWAFV-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131693543 768276909 /nfs/dbraw/zinc/27/69/09/768276909.db2.gz QILVUTSVWVWAFV-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131693543 768276915 /nfs/dbraw/zinc/27/69/15/768276915.db2.gz QILVUTSVWVWAFV-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC)C3)CC1 ZINC001047208283 768315605 /nfs/dbraw/zinc/31/56/05/768315605.db2.gz CHTPASNFCABREE-JQHSSLGASA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052437851 765825790 /nfs/dbraw/zinc/82/57/90/765825790.db2.gz JYWDXJUQKAGUEL-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052437851 765825796 /nfs/dbraw/zinc/82/57/96/765825796.db2.gz JYWDXJUQKAGUEL-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001052437851 765825803 /nfs/dbraw/zinc/82/58/03/765825803.db2.gz JYWDXJUQKAGUEL-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001045980122 766757694 /nfs/dbraw/zinc/75/76/94/766757694.db2.gz RREQTWQAKGZFPH-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980122 766757698 /nfs/dbraw/zinc/75/76/98/766757698.db2.gz RREQTWQAKGZFPH-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001045980122 766757701 /nfs/dbraw/zinc/75/77/01/766757701.db2.gz RREQTWQAKGZFPH-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccnc(Cl)c1 ZINC001129775210 766999517 /nfs/dbraw/zinc/99/95/17/766999517.db2.gz KEZDBYKCEIDIQD-AWEZNQCLSA-N 2 1 320.824 1.038 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccnc(Cl)c1 ZINC001129775210 766999523 /nfs/dbraw/zinc/99/95/23/766999523.db2.gz KEZDBYKCEIDIQD-AWEZNQCLSA-N 2 1 320.824 1.038 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046574950 767703927 /nfs/dbraw/zinc/70/39/27/767703927.db2.gz MBHZGHMHYHVKJQ-YJBOKZPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046574950 767703930 /nfs/dbraw/zinc/70/39/30/767703930.db2.gz MBHZGHMHYHVKJQ-YJBOKZPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498450 768520575 /nfs/dbraw/zinc/52/05/75/768520575.db2.gz WLEOWGMZFPPAQY-IKGGRYGDSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498450 768520579 /nfs/dbraw/zinc/52/05/79/768520579.db2.gz WLEOWGMZFPPAQY-IKGGRYGDSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001047498450 768520583 /nfs/dbraw/zinc/52/05/83/768520583.db2.gz WLEOWGMZFPPAQY-IKGGRYGDSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071191129 769116053 /nfs/dbraw/zinc/11/60/53/769116053.db2.gz AWLHLAVUOHOSCI-DOTOQJQBSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071191129 769116057 /nfs/dbraw/zinc/11/60/57/769116057.db2.gz AWLHLAVUOHOSCI-DOTOQJQBSA-N 2 1 318.421 1.069 20 30 DDEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001132883607 769284774 /nfs/dbraw/zinc/28/47/74/769284774.db2.gz WDDJNFFKRHDSLZ-YOEHRIQHSA-N 2 1 314.433 1.494 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864275 770013139 /nfs/dbraw/zinc/01/31/39/770013139.db2.gz VDXKAHBEXCBXPO-XHSDSOJGSA-N 2 1 314.433 1.727 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864275 770013148 /nfs/dbraw/zinc/01/31/48/770013148.db2.gz VDXKAHBEXCBXPO-XHSDSOJGSA-N 2 1 314.433 1.727 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048896805 770070589 /nfs/dbraw/zinc/07/05/89/770070589.db2.gz HUTRBQLRETVABT-ZNMIVQPWSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048896805 770070603 /nfs/dbraw/zinc/07/06/03/770070603.db2.gz HUTRBQLRETVABT-ZNMIVQPWSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048896805 770070614 /nfs/dbraw/zinc/07/06/14/770070614.db2.gz HUTRBQLRETVABT-ZNMIVQPWSA-N 2 1 311.857 1.613 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4nccn4C3)C[C@H]2C1 ZINC001048901372 770083729 /nfs/dbraw/zinc/08/37/29/770083729.db2.gz XTFJKEDSWZKJOA-KFWWJZLASA-N 2 1 300.406 1.022 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001048917966 770108068 /nfs/dbraw/zinc/10/80/68/770108068.db2.gz WBRXMWTUIOWYQR-IYBDPMFKSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959327 770167266 /nfs/dbraw/zinc/16/72/66/770167266.db2.gz FRKSDOSPYKJUEI-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959968 770168575 /nfs/dbraw/zinc/16/85/75/770168575.db2.gz PTYUXSOJYCDFOZ-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107317 770390455 /nfs/dbraw/zinc/39/04/55/770390455.db2.gz DTRRQJMWTLSALO-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107317 770390465 /nfs/dbraw/zinc/39/04/65/770390465.db2.gz DTRRQJMWTLSALO-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107317 770390476 /nfs/dbraw/zinc/39/04/76/770390476.db2.gz DTRRQJMWTLSALO-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049526506 770978479 /nfs/dbraw/zinc/97/84/79/770978479.db2.gz VFMBNEAIYKYDSC-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049526508 770978679 /nfs/dbraw/zinc/97/86/79/770978679.db2.gz VFMBNEAIYKYDSC-ZACQAIPSSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049761315 771140401 /nfs/dbraw/zinc/14/04/01/771140401.db2.gz HEPQBUOQIAUNKR-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001096584000 771229510 /nfs/dbraw/zinc/22/95/10/771229510.db2.gz QVRKOKBVYCADAW-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001096584000 771229512 /nfs/dbraw/zinc/22/95/12/771229512.db2.gz QVRKOKBVYCADAW-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001096584000 771229515 /nfs/dbraw/zinc/22/95/15/771229515.db2.gz QVRKOKBVYCADAW-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096584000 771229520 /nfs/dbraw/zinc/22/95/20/771229520.db2.gz QVRKOKBVYCADAW-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001049903834 771247641 /nfs/dbraw/zinc/24/76/41/771247641.db2.gz ZYMCPFHVGDKORI-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001049903834 771247644 /nfs/dbraw/zinc/24/76/44/771247644.db2.gz ZYMCPFHVGDKORI-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481706 771529499 /nfs/dbraw/zinc/52/94/99/771529499.db2.gz WGHGFTYRPMLFQX-IAGOWNOFSA-N 2 1 315.461 1.667 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135583770 771587553 /nfs/dbraw/zinc/58/75/53/771587553.db2.gz FDZDYFBZDILXGU-HUUCEWRRSA-N 2 1 304.438 1.903 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678681 771646122 /nfs/dbraw/zinc/64/61/22/771646122.db2.gz HLZFLKJHSRDPNJ-GJZGRUSLSA-N 2 1 304.438 1.868 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001147583796 773174958 /nfs/dbraw/zinc/17/49/58/773174958.db2.gz WAIXLEPAEJQWID-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583796 773174959 /nfs/dbraw/zinc/17/49/59/773174959.db2.gz WAIXLEPAEJQWID-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001147583796 773174960 /nfs/dbraw/zinc/17/49/60/773174960.db2.gz WAIXLEPAEJQWID-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073630986 773242392 /nfs/dbraw/zinc/24/23/92/773242392.db2.gz LPKVYMMELGDDKW-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073630986 773242396 /nfs/dbraw/zinc/24/23/96/773242396.db2.gz LPKVYMMELGDDKW-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073630986 773242400 /nfs/dbraw/zinc/24/24/00/773242400.db2.gz LPKVYMMELGDDKW-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677706 773348684 /nfs/dbraw/zinc/34/86/84/773348684.db2.gz RPHGDPXSMODAFV-AOIWGVFYSA-N 2 1 317.477 1.685 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956210 773744129 /nfs/dbraw/zinc/74/41/29/773744129.db2.gz HKFUCLZHWZDTMH-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@]2(C)C1 ZINC001092233046 774021457 /nfs/dbraw/zinc/02/14/57/774021457.db2.gz GAOKDJUEENDNDB-NEWSRXKRSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@]2(C)C1 ZINC001092233046 774021461 /nfs/dbraw/zinc/02/14/61/774021461.db2.gz GAOKDJUEENDNDB-NEWSRXKRSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@]2(C)C1 ZINC001092233046 774021467 /nfs/dbraw/zinc/02/14/67/774021467.db2.gz GAOKDJUEENDNDB-NEWSRXKRSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092913458 774300992 /nfs/dbraw/zinc/30/09/92/774300992.db2.gz KBNOBZYGKRMXRC-VNQPRFMTSA-N 2 1 314.433 1.071 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092913458 774301000 /nfs/dbraw/zinc/30/10/00/774301000.db2.gz KBNOBZYGKRMXRC-VNQPRFMTSA-N 2 1 314.433 1.071 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC=C)C[C@H]2C)CC1 ZINC001093223879 774536316 /nfs/dbraw/zinc/53/63/16/774536316.db2.gz IVAAPRDDEFLTNN-SJLPKXTDSA-N 2 1 317.477 1.592 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036772779 774565359 /nfs/dbraw/zinc/56/53/59/774565359.db2.gz CGHUXVBEKDFTMZ-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036772779 774565360 /nfs/dbraw/zinc/56/53/60/774565360.db2.gz CGHUXVBEKDFTMZ-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144689 774862604 /nfs/dbraw/zinc/86/26/04/774862604.db2.gz LANFVFLIKQCMJJ-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144689 774862613 /nfs/dbraw/zinc/86/26/13/774862613.db2.gz LANFVFLIKQCMJJ-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854885 774943867 /nfs/dbraw/zinc/94/38/67/774943867.db2.gz RVOLRVYLHYVPFJ-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859037 774945495 /nfs/dbraw/zinc/94/54/95/774945495.db2.gz JMFMADLQAHXMGX-ROUUACIJSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339327 774952581 /nfs/dbraw/zinc/95/25/81/774952581.db2.gz GTCGPKJDTPYXKT-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099339327 774952585 /nfs/dbraw/zinc/95/25/85/774952585.db2.gz GTCGPKJDTPYXKT-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099903230 775403652 /nfs/dbraw/zinc/40/36/52/775403652.db2.gz CJQHKOKKDOWNJC-HOTGVXAUSA-N 2 1 321.465 1.132 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100406060 776109217 /nfs/dbraw/zinc/10/92/17/776109217.db2.gz ZAORXDCDJLWWMI-HTWSVDAQSA-N 2 1 317.477 1.901 20 30 DDEDMP N#Cc1ccc(OCCNc2nc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC001171480917 776313882 /nfs/dbraw/zinc/31/38/82/776313882.db2.gz MOILFNGKZPUPJC-UHFFFAOYSA-N 2 1 324.388 1.249 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758609 776505627 /nfs/dbraw/zinc/50/56/27/776505627.db2.gz GXOLDYVGBISNNN-GTPINHCMSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001101035861 776843618 /nfs/dbraw/zinc/84/36/18/776843618.db2.gz CDRMQZITOGWQSZ-VMWRSERWSA-N 2 1 313.445 1.797 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187336 776975201 /nfs/dbraw/zinc/97/52/01/776975201.db2.gz OONFMJGLHIOWLQ-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187336 776975206 /nfs/dbraw/zinc/97/52/06/776975206.db2.gz OONFMJGLHIOWLQ-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187336 776975210 /nfs/dbraw/zinc/97/52/10/776975210.db2.gz OONFMJGLHIOWLQ-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187336 776975215 /nfs/dbraw/zinc/97/52/15/776975215.db2.gz OONFMJGLHIOWLQ-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474292 777158988 /nfs/dbraw/zinc/15/89/88/777158988.db2.gz RLDGJAXIJOYSPD-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001101575223 777265074 /nfs/dbraw/zinc/26/50/74/777265074.db2.gz YWUYMTMARPXGED-MRXNPFEDSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101575246 777265553 /nfs/dbraw/zinc/26/55/53/777265553.db2.gz ZLUOIAQUFDWWGZ-NVXWUHKLSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102191266 777924433 /nfs/dbraw/zinc/92/44/33/777924433.db2.gz SPWJLNAFIDLMEO-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281160 778233506 /nfs/dbraw/zinc/23/35/06/778233506.db2.gz CYMSSBZQBFDSPM-RDJZCZTQSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753322 778243553 /nfs/dbraw/zinc/24/35/53/778243553.db2.gz FYPABUKSSSSHLG-INIZCTEOSA-N 2 1 313.486 1.794 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001103598422 778959824 /nfs/dbraw/zinc/95/98/24/778959824.db2.gz LJRAJAMXUNONQN-SJLPKXTDSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001178688019 779140992 /nfs/dbraw/zinc/14/09/92/779140992.db2.gz CCQWXHOZSPWSIF-KRWDZBQOSA-N 2 1 307.482 1.864 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939518 779572044 /nfs/dbraw/zinc/57/20/44/779572044.db2.gz DWGMMVQIQACSPT-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001180061120 779608135 /nfs/dbraw/zinc/60/81/35/779608135.db2.gz XYWHVOUWFRUNLE-QGZVFWFLSA-N 2 1 323.481 1.244 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182709 779640963 /nfs/dbraw/zinc/64/09/63/779640963.db2.gz LWUNRIUSYHKWCZ-HRCADAONSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182709 779640968 /nfs/dbraw/zinc/64/09/68/779640968.db2.gz LWUNRIUSYHKWCZ-HRCADAONSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115305668 780023599 /nfs/dbraw/zinc/02/35/99/780023599.db2.gz AWXJCJDKGOFIGB-MLHJIOFPSA-N 2 1 311.429 1.359 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115305668 780023605 /nfs/dbraw/zinc/02/36/05/780023605.db2.gz AWXJCJDKGOFIGB-MLHJIOFPSA-N 2 1 311.429 1.359 20 30 DDEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001266287950 836057014 /nfs/dbraw/zinc/05/70/14/836057014.db2.gz MARCNUOQXUTJRQ-QGZVFWFLSA-N 2 1 322.497 1.171 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001266338847 836139170 /nfs/dbraw/zinc/13/91/70/836139170.db2.gz DTZBQTJCKCSLLH-QGZVFWFLSA-N 2 1 317.408 1.319 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001266338847 836139173 /nfs/dbraw/zinc/13/91/73/836139173.db2.gz DTZBQTJCKCSLLH-QGZVFWFLSA-N 2 1 317.408 1.319 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266452743 836276265 /nfs/dbraw/zinc/27/62/65/836276265.db2.gz QLSWVSALEPDIAS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266452743 836276275 /nfs/dbraw/zinc/27/62/75/836276275.db2.gz QLSWVSALEPDIAS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266452743 836276286 /nfs/dbraw/zinc/27/62/86/836276286.db2.gz QLSWVSALEPDIAS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266452743 836276296 /nfs/dbraw/zinc/27/62/96/836276296.db2.gz QLSWVSALEPDIAS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001266496051 836348035 /nfs/dbraw/zinc/34/80/35/836348035.db2.gz ZRXSCIANKBMNFV-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001266496051 836348042 /nfs/dbraw/zinc/34/80/42/836348042.db2.gz ZRXSCIANKBMNFV-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001266662407 836613217 /nfs/dbraw/zinc/61/32/17/836613217.db2.gz FQPFIKSNXFOGIC-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001271904309 844195121 /nfs/dbraw/zinc/19/51/21/844195121.db2.gz ZVINPSZIMHVXQC-PBHICJAKSA-N 2 1 311.445 1.563 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267115542 837380856 /nfs/dbraw/zinc/38/08/56/837380856.db2.gz WLBRHWYMAQESNF-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267115542 837380861 /nfs/dbraw/zinc/38/08/61/837380861.db2.gz WLBRHWYMAQESNF-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267115542 837380874 /nfs/dbraw/zinc/38/08/74/837380874.db2.gz WLBRHWYMAQESNF-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001267752337 838854430 /nfs/dbraw/zinc/85/44/30/838854430.db2.gz IRXAJNQXHKRNPN-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[NH2+]C[C@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267857218 839085765 /nfs/dbraw/zinc/08/57/65/839085765.db2.gz WKDIFOLGVAEQRO-WMZOPIPTSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268083921 839663998 /nfs/dbraw/zinc/66/39/98/839663998.db2.gz CTLVHUBPPMARCY-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccsc1 ZINC001268551941 840435614 /nfs/dbraw/zinc/43/56/14/840435614.db2.gz HIZFCVDAUUDCIR-CWDCEQMOSA-N 2 1 317.458 1.608 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccsc1 ZINC001268551941 840435618 /nfs/dbraw/zinc/43/56/18/840435618.db2.gz HIZFCVDAUUDCIR-CWDCEQMOSA-N 2 1 317.458 1.608 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001269742749 841999184 /nfs/dbraw/zinc/99/91/84/841999184.db2.gz VSCSMXAXBHJBPJ-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269742749 841999191 /nfs/dbraw/zinc/99/91/91/841999191.db2.gz VSCSMXAXBHJBPJ-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269742749 841999197 /nfs/dbraw/zinc/99/91/97/841999197.db2.gz VSCSMXAXBHJBPJ-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270211293 842391712 /nfs/dbraw/zinc/39/17/12/842391712.db2.gz RTZMUCQWUCKODV-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001270427223 842569533 /nfs/dbraw/zinc/56/95/33/842569533.db2.gz KFZNXLXDNQMPHH-AEFFLSMTSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1 ZINC001270427223 842569537 /nfs/dbraw/zinc/56/95/37/842569537.db2.gz KFZNXLXDNQMPHH-AEFFLSMTSA-N 2 1 313.445 1.626 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCCC1 ZINC001270764424 842885037 /nfs/dbraw/zinc/88/50/37/842885037.db2.gz YSJMCOUJKHEQOD-UHFFFAOYSA-N 2 1 320.437 1.945 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001271099456 843212761 /nfs/dbraw/zinc/21/27/61/843212761.db2.gz DALHNBMPOICTSK-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001271099456 843212766 /nfs/dbraw/zinc/21/27/66/843212766.db2.gz DALHNBMPOICTSK-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001271099397 843212849 /nfs/dbraw/zinc/21/28/49/843212849.db2.gz CDFNGEQSURKDCN-CQSZACIVSA-N 2 1 317.424 1.978 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001271099397 843212859 /nfs/dbraw/zinc/21/28/59/843212859.db2.gz CDFNGEQSURKDCN-CQSZACIVSA-N 2 1 317.424 1.978 20 30 DDEDMP C=CCCCCCN1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001280413116 843759113 /nfs/dbraw/zinc/75/91/13/843759113.db2.gz WJRLFHAARYHNDC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCCN1CCOC[C@H]1CNC(=O)[C@H]1CCCN1C ZINC001280413116 843759123 /nfs/dbraw/zinc/75/91/23/843759123.db2.gz WJRLFHAARYHNDC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816898 847185589 /nfs/dbraw/zinc/18/55/89/847185589.db2.gz JJWVAXKHTSQDRV-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816898 847185595 /nfs/dbraw/zinc/18/55/95/847185595.db2.gz JJWVAXKHTSQDRV-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816898 847185603 /nfs/dbraw/zinc/18/56/03/847185603.db2.gz JJWVAXKHTSQDRV-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997096771 847345975 /nfs/dbraw/zinc/34/59/75/847345975.db2.gz CCSGCLKYXVBMHR-BFYDXBDKSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)CN1C[C@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001273031228 847814865 /nfs/dbraw/zinc/81/48/65/847814865.db2.gz VIUFGYBYPGYATQ-GOSISDBHSA-N 2 1 321.465 1.113 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034238787 848165653 /nfs/dbraw/zinc/16/56/53/848165653.db2.gz FGNNBFSOQPMHNM-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034238787 848165659 /nfs/dbraw/zinc/16/56/59/848165659.db2.gz FGNNBFSOQPMHNM-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034238787 848165661 /nfs/dbraw/zinc/16/56/61/848165661.db2.gz FGNNBFSOQPMHNM-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034239634 848167482 /nfs/dbraw/zinc/16/74/82/848167482.db2.gz ZUSYFWSEXNGGCN-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239634 848167487 /nfs/dbraw/zinc/16/74/87/848167487.db2.gz ZUSYFWSEXNGGCN-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239634 848167493 /nfs/dbraw/zinc/16/74/93/848167493.db2.gz ZUSYFWSEXNGGCN-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001273175867 848635034 /nfs/dbraw/zinc/63/50/34/848635034.db2.gz LOSXJQMLAQIUQF-RYUDHWBXSA-N 2 1 318.259 1.331 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193843 862135942 /nfs/dbraw/zinc/13/59/42/862135942.db2.gz PUZFESCRRUGXDI-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001273457373 850843446 /nfs/dbraw/zinc/84/34/46/850843446.db2.gz OYMYPTPZEKTPTM-HUUCEWRRSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001273457373 850843456 /nfs/dbraw/zinc/84/34/56/850843456.db2.gz OYMYPTPZEKTPTM-HUUCEWRRSA-N 2 1 302.422 1.582 20 30 DDEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001273894761 851478348 /nfs/dbraw/zinc/47/83/48/851478348.db2.gz WFMBQYITCLSIDZ-WMZOPIPTSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CCC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001327639364 862340146 /nfs/dbraw/zinc/34/01/46/862340146.db2.gz QDBWHSUSTMFSAK-MRXNPFEDSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2cncn2C)C[C@@H]1C ZINC001274652754 852487013 /nfs/dbraw/zinc/48/70/13/852487013.db2.gz GDADCNUGNWWUBK-LSDHHAIUSA-N 2 1 302.422 1.345 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274654441 852488270 /nfs/dbraw/zinc/48/82/70/852488270.db2.gz DWUWLAGLVJFWOQ-AEFFLSMTSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791288 862454238 /nfs/dbraw/zinc/45/42/38/862454238.db2.gz VJNPCDSQHHVQGP-LLVKDONJSA-N 2 1 304.232 1.085 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150760974 862456538 /nfs/dbraw/zinc/45/65/38/862456538.db2.gz GDWYRUAUHHUTKP-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C12CCC2 ZINC001203013340 860594173 /nfs/dbraw/zinc/59/41/73/860594173.db2.gz JCGBJNODGQTMKI-CABCVRRESA-N 2 1 300.406 1.383 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001325920253 860955132 /nfs/dbraw/zinc/95/51/32/860955132.db2.gz YLFLZOGWCIPRNX-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001325920253 860955142 /nfs/dbraw/zinc/95/51/42/860955142.db2.gz YLFLZOGWCIPRNX-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325920253 860955153 /nfs/dbraw/zinc/95/51/53/860955153.db2.gz YLFLZOGWCIPRNX-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455230 861117211 /nfs/dbraw/zinc/11/72/11/861117211.db2.gz LQXOGWBJMXKFKZ-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001329341707 863608427 /nfs/dbraw/zinc/60/84/27/863608427.db2.gz FMGRISRUCZSFNS-UHFFFAOYSA-N 2 1 304.438 1.679 20 30 DDEDMP C[N@H+]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21 ZINC001157259791 863689347 /nfs/dbraw/zinc/68/93/47/863689347.db2.gz FYSXJGZMEHPIOK-SUMWQHHRSA-N 2 1 311.433 1.519 20 30 DDEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001329515465 863707137 /nfs/dbraw/zinc/70/71/37/863707137.db2.gz NFIOATNFRRPFLU-RDJZCZTQSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001329515465 863707140 /nfs/dbraw/zinc/70/71/40/863707140.db2.gz NFIOATNFRRPFLU-RDJZCZTQSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001329515465 863707145 /nfs/dbraw/zinc/70/71/45/863707145.db2.gz NFIOATNFRRPFLU-RDJZCZTQSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001330501879 864411912 /nfs/dbraw/zinc/41/19/12/864411912.db2.gz KLKYUXBDJDELDB-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001331215444 864946281 /nfs/dbraw/zinc/94/62/81/864946281.db2.gz YRTPGLGLQIMGRP-NVXWUHKLSA-N 2 1 316.449 1.508 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225442262 881836479 /nfs/dbraw/zinc/83/64/79/881836479.db2.gz IXZRIZXZNPSSOR-UHFFFAOYSA-N 2 1 320.437 1.222 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001320144657 866507932 /nfs/dbraw/zinc/50/79/32/866507932.db2.gz DUGOJIIALBGUFH-HIFRSBDPSA-N 2 1 320.437 1.800 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001323472921 866631200 /nfs/dbraw/zinc/63/12/00/866631200.db2.gz TVSATMSGQUXEMB-JKSUJKDBSA-N 2 1 321.465 1.444 20 30 DDEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001320414090 866717367 /nfs/dbraw/zinc/71/73/67/866717367.db2.gz ABLYMMDEINQZAP-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001333417753 866726829 /nfs/dbraw/zinc/72/68/29/866726829.db2.gz QWTTVNYMGHEJMF-MRXNPFEDSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001333480709 866781630 /nfs/dbraw/zinc/78/16/30/866781630.db2.gz WWDYYDXHWUSBCS-MRXNPFEDSA-N 2 1 317.408 1.507 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162576294 867655628 /nfs/dbraw/zinc/65/56/28/867655628.db2.gz CCMBZSQPPINOLX-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001162747509 867797639 /nfs/dbraw/zinc/79/76/39/867797639.db2.gz XHXWIIYYRATWSB-GOSISDBHSA-N 2 1 313.445 1.375 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001321959534 867898381 /nfs/dbraw/zinc/89/83/81/867898381.db2.gz ZNHHTRAWOPPBQF-RDJZCZTQSA-N 2 1 305.466 1.901 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001325286708 867913998 /nfs/dbraw/zinc/91/39/98/867913998.db2.gz YYYHXHAYGYUCSE-HZPDHXFCSA-N 2 1 321.465 1.132 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001325286708 867914012 /nfs/dbraw/zinc/91/40/12/867914012.db2.gz YYYHXHAYGYUCSE-HZPDHXFCSA-N 2 1 321.465 1.132 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001325648678 868212079 /nfs/dbraw/zinc/21/20/79/868212079.db2.gz JRNVXBXITOGJMR-BRWVUGGUSA-N 2 1 323.481 1.405 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001325648678 868212095 /nfs/dbraw/zinc/21/20/95/868212095.db2.gz JRNVXBXITOGJMR-BRWVUGGUSA-N 2 1 323.481 1.405 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940970 868811955 /nfs/dbraw/zinc/81/19/55/868811955.db2.gz UKNBLSFQZZSZQV-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940970 868811975 /nfs/dbraw/zinc/81/19/75/868811975.db2.gz UKNBLSFQZZSZQV-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001164500704 869237833 /nfs/dbraw/zinc/23/78/33/869237833.db2.gz BSQMBIAOGPOKSK-QGZVFWFLSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531499 869264203 /nfs/dbraw/zinc/26/42/03/869264203.db2.gz KYBQPDXDPZGOHV-HZPDHXFCSA-N 2 1 303.450 1.370 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001165546036 869635802 /nfs/dbraw/zinc/63/58/02/869635802.db2.gz WEMQMVICEZOFLJ-ULYATVDSSA-N 2 1 323.868 1.713 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C/C=C/Cl)CC1 ZINC001165546036 869635812 /nfs/dbraw/zinc/63/58/12/869635812.db2.gz WEMQMVICEZOFLJ-ULYATVDSSA-N 2 1 323.868 1.713 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317270320 870560513 /nfs/dbraw/zinc/56/05/13/870560513.db2.gz VNUWMZMBPINAFF-HIFRSBDPSA-N 2 1 320.437 1.051 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317421030 870795980 /nfs/dbraw/zinc/79/59/80/870795980.db2.gz BCBUGNNBUFGAEX-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317421030 870795987 /nfs/dbraw/zinc/79/59/87/870795987.db2.gz BCBUGNNBUFGAEX-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317421030 870795994 /nfs/dbraw/zinc/79/59/94/870795994.db2.gz BCBUGNNBUFGAEX-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317483253 870903074 /nfs/dbraw/zinc/90/30/74/870903074.db2.gz DUDUOUVYSORDOK-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317483253 870903076 /nfs/dbraw/zinc/90/30/76/870903076.db2.gz DUDUOUVYSORDOK-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CCC[N@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001316857073 871454382 /nfs/dbraw/zinc/45/43/82/871454382.db2.gz SKICNOJQHBEPFG-UHFFFAOYSA-N 2 1 301.434 1.823 20 30 DDEDMP Cn1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c2cc(C#N)ccc21 ZINC001205248117 871459755 /nfs/dbraw/zinc/45/97/55/871459755.db2.gz MSJSMBYBGCVFEE-GOSISDBHSA-N 2 1 312.417 1.726 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205285298 871484366 /nfs/dbraw/zinc/48/43/66/871484366.db2.gz VTWWQZFHXGSZIB-ZWKOTPCHSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420398 871545640 /nfs/dbraw/zinc/54/56/40/871545640.db2.gz RZMQVKCVVOVROH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001316740034 871987887 /nfs/dbraw/zinc/98/78/87/871987887.db2.gz IXUMLIMRYDNCNN-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001316804380 872074347 /nfs/dbraw/zinc/07/43/47/872074347.db2.gz IPWZBWJVJULDCZ-KRWDZBQOSA-N 2 1 323.481 1.291 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001318708957 872220078 /nfs/dbraw/zinc/22/00/78/872220078.db2.gz OBEYHVJUNGWTEB-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001319196885 872493132 /nfs/dbraw/zinc/49/31/32/872493132.db2.gz ONMHGNVDNQBEOV-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001343353522 872592332 /nfs/dbraw/zinc/59/23/32/872592332.db2.gz FWMCPDDNTYUYHA-QGZVFWFLSA-N 2 1 315.417 1.171 20 30 DDEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001319635047 872726500 /nfs/dbraw/zinc/72/65/00/872726500.db2.gz GMXIKUPHVKUSBK-AEFFLSMTSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208071266 873808360 /nfs/dbraw/zinc/80/83/60/873808360.db2.gz YWLBHUZBFZPEIG-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208334732 874025579 /nfs/dbraw/zinc/02/55/79/874025579.db2.gz LIWZWVSUZZLZQI-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001208609812 874315150 /nfs/dbraw/zinc/31/51/50/874315150.db2.gz NDPYUXDYWQGYDO-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001208609812 874315162 /nfs/dbraw/zinc/31/51/62/874315162.db2.gz NDPYUXDYWQGYDO-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208609812 874315166 /nfs/dbraw/zinc/31/51/66/874315166.db2.gz NDPYUXDYWQGYDO-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208609812 874315167 /nfs/dbraw/zinc/31/51/67/874315167.db2.gz NDPYUXDYWQGYDO-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208739365 874431301 /nfs/dbraw/zinc/43/13/01/874431301.db2.gz QGLGEOKPTQRNDA-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001353571976 877425757 /nfs/dbraw/zinc/42/57/57/877425757.db2.gz SREYASHCIIOXDP-HOTGVXAUSA-N 2 1 323.481 1.820 20 30 DDEDMP N#Cc1c(NC(=O)[C@H]([NH3+])c2cccs2)sc2c1CC[NH2+]C2 ZINC001218552231 877563312 /nfs/dbraw/zinc/56/33/12/877563312.db2.gz ZZHCNLWWVWCUNP-GFCCVEGCSA-N 2 1 318.427 1.965 20 30 DDEDMP Cc1[nH+]c(N)ccc1CNC(=O)C[C@@H]([NH3+])c1ccc(C#N)cc1 ZINC001220071711 878687101 /nfs/dbraw/zinc/68/71/01/878687101.db2.gz ODOFBROBUHBWHD-OAHLLOKOSA-N 2 1 309.373 1.550 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001221616200 879974232 /nfs/dbraw/zinc/97/42/32/879974232.db2.gz ICVYHQTVKJMAHY-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221920594 880148987 /nfs/dbraw/zinc/14/89/87/880148987.db2.gz MTSXKINKQNNMOX-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221920594 880148996 /nfs/dbraw/zinc/14/89/96/880148996.db2.gz MTSXKINKQNNMOX-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221920594 880149001 /nfs/dbraw/zinc/14/90/01/880149001.db2.gz MTSXKINKQNNMOX-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP N#CCOc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222497581 880512721 /nfs/dbraw/zinc/51/27/21/880512721.db2.gz QGVPAJFUYOSDIS-IRXDYDNUSA-N 2 1 300.406 1.115 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223513093 880987025 /nfs/dbraw/zinc/98/70/25/880987025.db2.gz WDZMGYPVNNTLEG-CVEARBPZSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223513093 880987038 /nfs/dbraw/zinc/98/70/38/880987038.db2.gz WDZMGYPVNNTLEG-CVEARBPZSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223513093 880987053 /nfs/dbraw/zinc/98/70/53/880987053.db2.gz WDZMGYPVNNTLEG-CVEARBPZSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277684726 886480648 /nfs/dbraw/zinc/48/06/48/886480648.db2.gz OKDUAFSEWJNMNL-RDJZCZTQSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CCNCC[NH2+]CCNCC2)CC1 ZINC001235868358 888987515 /nfs/dbraw/zinc/98/75/15/888987515.db2.gz CTKJVDKARAKJEP-GOSISDBHSA-N 2 1 306.498 1.373 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277982841 889228470 /nfs/dbraw/zinc/22/84/70/889228470.db2.gz YDDQHAONSVMQRP-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001280884333 889586878 /nfs/dbraw/zinc/58/68/78/889586878.db2.gz ZSDWUJYILHUSCT-IAGOWNOFSA-N 2 1 323.481 1.289 20 30 DDEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC001246530694 892680869 /nfs/dbraw/zinc/68/08/69/892680869.db2.gz AIAZEMQNEWPQLW-HUUCEWRRSA-N 2 1 307.438 1.847 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001366388891 893410602 /nfs/dbraw/zinc/41/06/02/893410602.db2.gz DQPALTVRRWAPSB-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001263963883 900846644 /nfs/dbraw/zinc/84/66/44/900846644.db2.gz OHLCVESERIAWQF-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001264550854 901179427 /nfs/dbraw/zinc/17/94/27/901179427.db2.gz MLUVUZCMUBHIPB-WCXIOVBPSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001264742696 901325545 /nfs/dbraw/zinc/32/55/45/901325545.db2.gz CRMKURJLTPQSBX-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264742696 901325557 /nfs/dbraw/zinc/32/55/57/901325557.db2.gz CRMKURJLTPQSBX-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001264742696 901325567 /nfs/dbraw/zinc/32/55/67/901325567.db2.gz CRMKURJLTPQSBX-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265224390 901737769 /nfs/dbraw/zinc/73/77/69/901737769.db2.gz BZRRLPVTBIRIAN-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265224390 901737778 /nfs/dbraw/zinc/73/77/78/901737778.db2.gz BZRRLPVTBIRIAN-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265224390 901737784 /nfs/dbraw/zinc/73/77/84/901737784.db2.gz BZRRLPVTBIRIAN-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265945880 902640881 /nfs/dbraw/zinc/64/08/81/902640881.db2.gz ZLKMWZGIXZVFOO-SFHVURJKSA-N 2 1 322.412 1.434 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1C#N ZINC001265971208 902681456 /nfs/dbraw/zinc/68/14/56/902681456.db2.gz DOABEFPTJQAAES-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1C#N ZINC001265971208 902681466 /nfs/dbraw/zinc/68/14/66/902681466.db2.gz DOABEFPTJQAAES-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1C#N ZINC001265971208 902681478 /nfs/dbraw/zinc/68/14/78/902681478.db2.gz DOABEFPTJQAAES-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001266007257 902744120 /nfs/dbraw/zinc/74/41/20/902744120.db2.gz VYNSCBSNJRLHEY-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC[C@H](C)F ZINC001280823625 904084890 /nfs/dbraw/zinc/08/48/90/904084890.db2.gz WTLVRCMUKKGBON-HOTGVXAUSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC[C@H](C)F ZINC001280823625 904084902 /nfs/dbraw/zinc/08/49/02/904084902.db2.gz WTLVRCMUKKGBON-HOTGVXAUSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC[C@H](C)F ZINC001280823625 904084917 /nfs/dbraw/zinc/08/49/17/904084917.db2.gz WTLVRCMUKKGBON-HOTGVXAUSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC[C@H](C)F ZINC001280823625 904084932 /nfs/dbraw/zinc/08/49/32/904084932.db2.gz WTLVRCMUKKGBON-HOTGVXAUSA-N 2 1 311.445 1.612 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001316609319 904636266 /nfs/dbraw/zinc/63/62/66/904636266.db2.gz KXHQEYPNAMATPY-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001281744510 905193466 /nfs/dbraw/zinc/19/34/66/905193466.db2.gz ZIKWFEUASSFEQP-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001281782383 905217717 /nfs/dbraw/zinc/21/77/17/905217717.db2.gz GXGOMJUULQZYKL-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001281782383 905217732 /nfs/dbraw/zinc/21/77/32/905217732.db2.gz GXGOMJUULQZYKL-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001281782383 905217745 /nfs/dbraw/zinc/21/77/45/905217745.db2.gz GXGOMJUULQZYKL-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CCF)C(C)C ZINC001282557773 905867848 /nfs/dbraw/zinc/86/78/48/905867848.db2.gz IVASBTFEGPWONM-CVEARBPZSA-N 2 1 311.445 1.516 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CCF)C(C)C ZINC001282557773 905867864 /nfs/dbraw/zinc/86/78/64/905867864.db2.gz IVASBTFEGPWONM-CVEARBPZSA-N 2 1 311.445 1.516 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001282781605 906031720 /nfs/dbraw/zinc/03/17/20/906031720.db2.gz MGSQMPLJGOZRFO-SFHVURJKSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001282781605 906031734 /nfs/dbraw/zinc/03/17/34/906031734.db2.gz MGSQMPLJGOZRFO-SFHVURJKSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001282781605 906031750 /nfs/dbraw/zinc/03/17/50/906031750.db2.gz MGSQMPLJGOZRFO-SFHVURJKSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001282783172 906035434 /nfs/dbraw/zinc/03/54/34/906035434.db2.gz XUPLVGISIGQPNR-GOSISDBHSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001282783172 906035452 /nfs/dbraw/zinc/03/54/52/906035452.db2.gz XUPLVGISIGQPNR-GOSISDBHSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001282783172 906035474 /nfs/dbraw/zinc/03/54/74/906035474.db2.gz XUPLVGISIGQPNR-GOSISDBHSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001282861605 906114254 /nfs/dbraw/zinc/11/42/54/906114254.db2.gz OVKDLVFEPCIQER-LUKYLMHMSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001282861605 906114267 /nfs/dbraw/zinc/11/42/67/906114267.db2.gz OVKDLVFEPCIQER-LUKYLMHMSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001282861605 906114280 /nfs/dbraw/zinc/11/42/80/906114280.db2.gz OVKDLVFEPCIQER-LUKYLMHMSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001283435254 907351094 /nfs/dbraw/zinc/35/10/94/907351094.db2.gz WIZIFPLMQHRKFT-ZWKOTPCHSA-N 2 1 313.445 1.941 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001316633476 909224707 /nfs/dbraw/zinc/22/47/07/909224707.db2.gz XSOMELUBJSDBJV-HDJSIYSDSA-N 2 1 320.437 1.800 20 30 DDEDMP C#CCC[NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001284799811 909510090 /nfs/dbraw/zinc/51/00/90/909510090.db2.gz UJDYLEFZWZZNON-UHFFFAOYSA-N 2 1 302.422 1.574 20 30 DDEDMP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001284870030 909604997 /nfs/dbraw/zinc/60/49/97/909604997.db2.gz LPJQAWYGTTVUIR-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001377009618 920074141 /nfs/dbraw/zinc/07/41/41/920074141.db2.gz FVDHJKXEANIZNV-SWLSCSKDSA-N 2 1 320.462 1.698 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052642 353705125 /nfs/dbraw/zinc/70/51/25/353705125.db2.gz LNEISDCHNPWWRD-GJZGRUSLSA-N 2 1 306.454 1.836 20 30 DDEDMP C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730657 354282216 /nfs/dbraw/zinc/28/22/16/354282216.db2.gz GMVKAZHDMFCIHC-HZPDHXFCSA-N 2 1 320.481 1.991 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000596692703 356953881 /nfs/dbraw/zinc/95/38/81/356953881.db2.gz LNCZCJZHVRXOGV-DOTOQJQBSA-N 2 1 323.485 1.594 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000596692703 356953884 /nfs/dbraw/zinc/95/38/84/356953884.db2.gz LNCZCJZHVRXOGV-DOTOQJQBSA-N 2 1 323.485 1.594 20 30 DDEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599303128 357884484 /nfs/dbraw/zinc/88/44/84/357884484.db2.gz MABHZWNKDVPBTP-DLBZAZTESA-N 2 1 323.481 1.721 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599385142 357917214 /nfs/dbraw/zinc/91/72/14/357917214.db2.gz HAQPLFDPMDLCNB-CVEARBPZSA-N 2 1 309.454 1.474 20 30 DDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600734510 358301207 /nfs/dbraw/zinc/30/12/07/358301207.db2.gz CSKCNFZBRQCQPE-RDJZCZTQSA-N 2 1 317.433 1.619 20 30 DDEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000602657769 359105427 /nfs/dbraw/zinc/10/54/27/359105427.db2.gz SPAWRYFWDABHIV-INIZCTEOSA-N 2 1 322.497 1.701 20 30 DDEDMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)cc1 ZINC000602602955 359065655 /nfs/dbraw/zinc/06/56/55/359065655.db2.gz PBZVRYKSTPKICJ-SJORKVTESA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439165 781943758 /nfs/dbraw/zinc/94/37/58/781943758.db2.gz FAYCEVDUCVTAGN-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396703 407751476 /nfs/dbraw/zinc/75/14/76/407751476.db2.gz WNQPEUZUOKGRDO-OLZOCXBDSA-N 2 1 312.458 1.343 20 30 DDEDMP C=CCN(C)CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000121527808 408232138 /nfs/dbraw/zinc/23/21/38/408232138.db2.gz DWVNHUXRISJUOX-UHFFFAOYSA-N 2 1 309.454 1.256 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)cc1 ZINC000288633573 409172937 /nfs/dbraw/zinc/17/29/37/409172937.db2.gz BJXZRMMTEDSUFG-UHFFFAOYSA-N 2 1 307.442 1.305 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)cc1 ZINC000288633573 409172939 /nfs/dbraw/zinc/17/29/39/409172939.db2.gz BJXZRMMTEDSUFG-UHFFFAOYSA-N 2 1 307.442 1.305 20 30 DDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC000329498949 410329302 /nfs/dbraw/zinc/32/93/02/410329302.db2.gz FOKUXEQVAXYRMM-MRXNPFEDSA-N 2 1 313.405 1.423 20 30 DDEDMP CN1CCN(C)[C@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000329498949 410329306 /nfs/dbraw/zinc/32/93/06/410329306.db2.gz FOKUXEQVAXYRMM-MRXNPFEDSA-N 2 1 313.405 1.423 20 30 DDEDMP C[NH+]=C(NCC1CCSCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262757118 222292018 /nfs/dbraw/zinc/29/20/18/222292018.db2.gz DRPXTDWDFGGMBZ-TZMCWYRMSA-N 2 1 310.511 1.920 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](OC)c1ccccc1 ZINC000264083136 222313574 /nfs/dbraw/zinc/31/35/74/222313574.db2.gz IWSAVLUCQYVHSR-HOTGVXAUSA-N 2 1 304.438 1.763 20 30 DDEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000267392847 222383981 /nfs/dbraw/zinc/38/39/81/222383981.db2.gz DLOIRMQBPWINTL-HNNXBMFYSA-N 2 1 304.438 1.998 20 30 DDEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424142189 228235434 /nfs/dbraw/zinc/23/54/34/228235434.db2.gz DLFJLRXCJMWAAV-DJIMGWMZSA-N 2 1 314.433 1.959 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000424179068 228241873 /nfs/dbraw/zinc/24/18/73/228241873.db2.gz SGYWMWVHBOLNLW-HUUCEWRRSA-N 2 1 320.824 1.834 20 30 DDEDMP C[C@H](O)C[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000429689340 420039153 /nfs/dbraw/zinc/03/91/53/420039153.db2.gz NXGOCQLARPOHBF-XLAORIBOSA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@H](O)C[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000429689340 420039157 /nfs/dbraw/zinc/03/91/57/420039157.db2.gz NXGOCQLARPOHBF-XLAORIBOSA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@H](O)C[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000429689340 420039160 /nfs/dbraw/zinc/03/91/60/420039160.db2.gz NXGOCQLARPOHBF-XLAORIBOSA-N 2 1 308.466 1.460 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000491371122 421197091 /nfs/dbraw/zinc/19/70/91/421197091.db2.gz CPWXFIFQYXQVOK-KRWDZBQOSA-N 2 1 320.481 1.601 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C#N)CC[N@@H+]1C ZINC000528397739 421485067 /nfs/dbraw/zinc/48/50/67/421485067.db2.gz RTIQEKCIHNMAQG-DJIMGWMZSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C#N)CC[N@H+]1C ZINC000528397739 421485070 /nfs/dbraw/zinc/48/50/70/421485070.db2.gz RTIQEKCIHNMAQG-DJIMGWMZSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC[NH+]1C ZINC000528397739 421485071 /nfs/dbraw/zinc/48/50/71/421485071.db2.gz RTIQEKCIHNMAQG-DJIMGWMZSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC[NH+]1C ZINC000528397739 421485072 /nfs/dbraw/zinc/48/50/72/421485072.db2.gz RTIQEKCIHNMAQG-DJIMGWMZSA-N 2 1 317.433 1.712 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@](C)(C#N)CC)CC2)CC1 ZINC000571175625 421694175 /nfs/dbraw/zinc/69/41/75/421694175.db2.gz HACOGJUYWBGIQJ-GOSISDBHSA-N 2 1 320.481 1.991 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CC#N)CC2)CC1 ZINC000557594084 421779279 /nfs/dbraw/zinc/77/92/79/421779279.db2.gz NDDBNMUZZZCDCY-AWEZNQCLSA-N 2 1 306.454 1.601 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759736 423714083 /nfs/dbraw/zinc/71/40/83/423714083.db2.gz IAZUGNLOVRCKDN-MRXNPFEDSA-N 2 1 305.466 1.993 20 30 DDEDMP C=CCCn1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)nn1 ZINC000657397695 424329200 /nfs/dbraw/zinc/32/92/00/424329200.db2.gz ZCDNYVLWFRJLBK-UHFFFAOYSA-N 2 1 307.442 1.179 20 30 DDEDMP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000330279079 533886455 /nfs/dbraw/zinc/88/64/55/533886455.db2.gz QMJOIPCWKYKMQM-HZSPNIEDSA-N 2 1 305.426 1.526 20 30 DDEDMP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000330279079 533886470 /nfs/dbraw/zinc/88/64/70/533886470.db2.gz QMJOIPCWKYKMQM-HZSPNIEDSA-N 2 1 305.426 1.526 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000491523597 526803254 /nfs/dbraw/zinc/80/32/54/526803254.db2.gz FVNCBJYHWCMIKY-HNNXBMFYSA-N 2 1 300.406 1.579 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000491673908 526807681 /nfs/dbraw/zinc/80/76/81/526807681.db2.gz WMUWIANEROOANX-UHFFFAOYSA-N 2 1 308.470 1.459 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000491635197 526807922 /nfs/dbraw/zinc/80/79/22/526807922.db2.gz UEPDDQBZLPKDIG-XYPWUTKMSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000491635197 526807926 /nfs/dbraw/zinc/80/79/26/526807926.db2.gz UEPDDQBZLPKDIG-XYPWUTKMSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000491635197 526807934 /nfs/dbraw/zinc/80/79/34/526807934.db2.gz UEPDDQBZLPKDIG-XYPWUTKMSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CCNC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000491474748 526983957 /nfs/dbraw/zinc/98/39/57/526983957.db2.gz PSWBUEGVZQZUGE-UHFFFAOYSA-N 2 1 314.364 1.549 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409512 695242569 /nfs/dbraw/zinc/24/25/69/695242569.db2.gz PJTFJXRSTAVEJY-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409512 695242570 /nfs/dbraw/zinc/24/25/70/695242570.db2.gz PJTFJXRSTAVEJY-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431555 695249694 /nfs/dbraw/zinc/24/96/94/695249694.db2.gz RAXXUFUYTJMMHS-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431555 695249695 /nfs/dbraw/zinc/24/96/95/695249695.db2.gz RAXXUFUYTJMMHS-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586153 695691093 /nfs/dbraw/zinc/69/10/93/695691093.db2.gz JJNVSUSLSUPFJU-CVEARBPZSA-N 2 1 303.450 1.178 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724676 695719118 /nfs/dbraw/zinc/71/91/18/695719118.db2.gz NSHWGISYTXAIMG-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724676 695719119 /nfs/dbraw/zinc/71/91/19/695719119.db2.gz NSHWGISYTXAIMG-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724676 695719121 /nfs/dbraw/zinc/71/91/21/695719121.db2.gz NSHWGISYTXAIMG-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724676 695719123 /nfs/dbraw/zinc/71/91/23/695719123.db2.gz NSHWGISYTXAIMG-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877430 695751614 /nfs/dbraw/zinc/75/16/14/695751614.db2.gz SGQGZAQCOGFZRX-JKSUJKDBSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978794770 696459548 /nfs/dbraw/zinc/45/95/48/696459548.db2.gz FJAQNUAYBMOBBM-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978794770 696459549 /nfs/dbraw/zinc/45/95/49/696459549.db2.gz FJAQNUAYBMOBBM-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978794770 696459551 /nfs/dbraw/zinc/45/95/51/696459551.db2.gz FJAQNUAYBMOBBM-WCXIOVBPSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245082 697071810 /nfs/dbraw/zinc/07/18/10/697071810.db2.gz DMFYSRICYBHPCF-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245082 697071812 /nfs/dbraw/zinc/07/18/12/697071812.db2.gz DMFYSRICYBHPCF-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245082 697071814 /nfs/dbraw/zinc/07/18/14/697071814.db2.gz DMFYSRICYBHPCF-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245082 697071816 /nfs/dbraw/zinc/07/18/16/697071816.db2.gz DMFYSRICYBHPCF-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](CC)OC)CC1 ZINC000981365194 697076550 /nfs/dbraw/zinc/07/65/50/697076550.db2.gz JVERJWYUPHFRAO-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](CC)OC)CC1 ZINC000981365194 697076552 /nfs/dbraw/zinc/07/65/52/697076552.db2.gz JVERJWYUPHFRAO-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](CC)OC)CC1 ZINC000981365194 697076554 /nfs/dbraw/zinc/07/65/54/697076554.db2.gz JVERJWYUPHFRAO-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](CC)OC)CC1 ZINC000981365194 697076558 /nfs/dbraw/zinc/07/65/58/697076558.db2.gz JVERJWYUPHFRAO-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982295727 697086063 /nfs/dbraw/zinc/08/60/63/697086063.db2.gz BUJNLNIPEOHFTA-QRQLOZEOSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981427262 697094362 /nfs/dbraw/zinc/09/43/62/697094362.db2.gz DHYMTAYNTMSBMW-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000985501671 697521277 /nfs/dbraw/zinc/52/12/77/697521277.db2.gz YHZUHYWQXLHQME-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000237700409 697812582 /nfs/dbraw/zinc/81/25/82/697812582.db2.gz GPLQAZOMNZNGNZ-HOCLYGCPSA-N 2 1 303.406 1.524 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303789705 698607201 /nfs/dbraw/zinc/60/72/01/698607201.db2.gz VOTAYIUJWZUUFV-MRXNPFEDSA-N 3 1 309.502 1.641 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000303876914 698608570 /nfs/dbraw/zinc/60/85/70/698608570.db2.gz FDCQFHKABKVAMF-ARFHVFGLSA-N 2 1 309.502 1.638 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303876914 698608571 /nfs/dbraw/zinc/60/85/71/698608571.db2.gz FDCQFHKABKVAMF-ARFHVFGLSA-N 3 1 309.502 1.638 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000303876914 698608573 /nfs/dbraw/zinc/60/85/73/698608573.db2.gz FDCQFHKABKVAMF-ARFHVFGLSA-N 3 1 309.502 1.638 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NCC[N@@H+](C)C(C)C)cc1OC ZINC000303977084 698611698 /nfs/dbraw/zinc/61/16/98/698611698.db2.gz KWPNJKRFMXKPGW-UHFFFAOYSA-N 2 1 308.426 1.448 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)cc1F ZINC000304760579 698624986 /nfs/dbraw/zinc/62/49/86/698624986.db2.gz SOPHIGSADFLNQX-CQSZACIVSA-N 2 1 303.385 1.586 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989497964 698645785 /nfs/dbraw/zinc/64/57/85/698645785.db2.gz QRMFWTCFKIZTHH-UHFFFAOYSA-N 2 1 302.422 1.872 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989497964 698645786 /nfs/dbraw/zinc/64/57/86/698645786.db2.gz QRMFWTCFKIZTHH-UHFFFAOYSA-N 2 1 302.422 1.872 20 30 DDEDMP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000731929281 699541689 /nfs/dbraw/zinc/54/16/89/699541689.db2.gz URGZAIYLKWVMCS-UHFFFAOYSA-N 2 1 321.494 1.892 20 30 DDEDMP C=CCN1CCN(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000840036584 701928581 /nfs/dbraw/zinc/92/85/81/701928581.db2.gz NQLYEOOIEMYLNQ-INIZCTEOSA-N 2 1 306.454 1.531 20 30 DDEDMP N#Cc1ccc([C@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000843061305 702810580 /nfs/dbraw/zinc/81/05/80/702810580.db2.gz DTKOYQPQNRMSCX-QGZVFWFLSA-N 2 1 303.406 1.028 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843825861 702930078 /nfs/dbraw/zinc/93/00/78/702930078.db2.gz ANKHKROCHXLADY-KRWDZBQOSA-N 2 1 301.434 1.837 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000879575624 706723942 /nfs/dbraw/zinc/72/39/42/706723942.db2.gz NLJGLJNBQBDTCO-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000879575624 706723946 /nfs/dbraw/zinc/72/39/46/706723946.db2.gz NLJGLJNBQBDTCO-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000879575624 706723950 /nfs/dbraw/zinc/72/39/50/706723950.db2.gz NLJGLJNBQBDTCO-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CC[C@@H]21 ZINC000879575624 706723952 /nfs/dbraw/zinc/72/39/52/706723952.db2.gz NLJGLJNBQBDTCO-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[N@H+]1CCCO ZINC000849034614 703613629 /nfs/dbraw/zinc/61/36/29/703613629.db2.gz ZWYDJVHSLZCEHX-KRWDZBQOSA-N 2 1 318.465 1.541 20 30 DDEDMP N#CCc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000849045398 703614855 /nfs/dbraw/zinc/61/48/55/703614855.db2.gz XYWHTZVWYNRINE-UHFFFAOYSA-N 2 1 315.421 1.089 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000852360383 704023793 /nfs/dbraw/zinc/02/37/93/704023793.db2.gz XUSLSPLCLOBJRZ-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CCOCC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856583782 704532916 /nfs/dbraw/zinc/53/29/16/704532916.db2.gz SGTVCAVRHRSCCO-SFHVURJKSA-N 2 1 317.433 1.636 20 30 DDEDMP C#CCOCC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583782 704532917 /nfs/dbraw/zinc/53/29/17/704532917.db2.gz SGTVCAVRHRSCCO-SFHVURJKSA-N 2 1 317.433 1.636 20 30 DDEDMP C#CCOCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856583782 704532918 /nfs/dbraw/zinc/53/29/18/704532918.db2.gz SGTVCAVRHRSCCO-SFHVURJKSA-N 2 1 317.433 1.636 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834772034 707113452 /nfs/dbraw/zinc/11/34/52/707113452.db2.gz KRJIAJPBBHVPIF-PQUAAJSLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834772034 707113453 /nfs/dbraw/zinc/11/34/53/707113453.db2.gz KRJIAJPBBHVPIF-PQUAAJSLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000836488904 707470985 /nfs/dbraw/zinc/47/09/85/707470985.db2.gz QRJFNXXEWUJBNT-QGZVFWFLSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21 ZINC000836488904 707470989 /nfs/dbraw/zinc/47/09/89/707470989.db2.gz QRJFNXXEWUJBNT-QGZVFWFLSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000836488904 707470992 /nfs/dbraw/zinc/47/09/92/707470992.db2.gz QRJFNXXEWUJBNT-QGZVFWFLSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000836488904 707470994 /nfs/dbraw/zinc/47/09/94/707470994.db2.gz QRJFNXXEWUJBNT-QGZVFWFLSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000884140575 708157306 /nfs/dbraw/zinc/15/73/06/708157306.db2.gz XVEOSBFWOYPOJH-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000884140575 708157310 /nfs/dbraw/zinc/15/73/10/708157310.db2.gz XVEOSBFWOYPOJH-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000884140575 708157312 /nfs/dbraw/zinc/15/73/12/708157312.db2.gz XVEOSBFWOYPOJH-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000884140575 708157314 /nfs/dbraw/zinc/15/73/14/708157314.db2.gz XVEOSBFWOYPOJH-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP CN(CC[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1)C1CC[NH+](C)CC1 ZINC000886090205 708696536 /nfs/dbraw/zinc/69/65/36/708696536.db2.gz SFZHXTMAQWDUSX-KRWDZBQOSA-N 2 1 322.497 1.389 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000911847279 711029566 /nfs/dbraw/zinc/02/95/66/711029566.db2.gz UJWAHFDUAVSFNO-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000913477742 713232841 /nfs/dbraw/zinc/23/28/41/713232841.db2.gz QWWGOBRQGMRZNJ-QGZVFWFLSA-N 2 1 301.434 1.976 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000894863378 711300734 /nfs/dbraw/zinc/30/07/34/711300734.db2.gz ARHZPZRTOGKTDH-CRAIPNDOSA-N 2 1 321.465 1.788 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000894863378 711300736 /nfs/dbraw/zinc/30/07/36/711300736.db2.gz ARHZPZRTOGKTDH-CRAIPNDOSA-N 2 1 321.465 1.788 20 30 DDEDMP C#CCN(C(=O)NCCCC[N@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000922810581 714154995 /nfs/dbraw/zinc/15/49/95/714154995.db2.gz NKHFTUFDBBTVNT-UHFFFAOYSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000922854376 714167711 /nfs/dbraw/zinc/16/77/11/714167711.db2.gz WOCVNHMHFQLIRE-INIZCTEOSA-N 2 1 320.481 1.457 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960269732 716474903 /nfs/dbraw/zinc/47/49/03/716474903.db2.gz SBRJGWVYCLSMTL-NCOADZHNSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000960269732 716474896 /nfs/dbraw/zinc/47/48/96/716474896.db2.gz SBRJGWVYCLSMTL-NCOADZHNSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960269732 716474901 /nfs/dbraw/zinc/47/49/01/716474901.db2.gz SBRJGWVYCLSMTL-NCOADZHNSA-N 2 1 305.466 1.587 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960721994 716668562 /nfs/dbraw/zinc/66/85/62/716668562.db2.gz LFRZMVFOOFFHTR-TWMKSMIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960721994 716668565 /nfs/dbraw/zinc/66/85/65/716668565.db2.gz LFRZMVFOOFFHTR-TWMKSMIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960721994 716668568 /nfs/dbraw/zinc/66/85/68/716668568.db2.gz LFRZMVFOOFFHTR-TWMKSMIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961409324 716936483 /nfs/dbraw/zinc/93/64/83/716936483.db2.gz CDFUKLHPRMNYHS-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843157 716986338 /nfs/dbraw/zinc/98/63/38/716986338.db2.gz XYWOVTVAQIATCI-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843157 716986341 /nfs/dbraw/zinc/98/63/41/716986341.db2.gz XYWOVTVAQIATCI-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843157 716986348 /nfs/dbraw/zinc/98/63/48/716986348.db2.gz XYWOVTVAQIATCI-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080052 717097531 /nfs/dbraw/zinc/09/75/31/717097531.db2.gz RNLVQJRIKABGNM-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124802 717110820 /nfs/dbraw/zinc/11/08/20/717110820.db2.gz UZXMEGJFXQZLKL-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518366 718815392 /nfs/dbraw/zinc/81/53/92/718815392.db2.gz ROIZTJLLYLFJJL-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518366 718815397 /nfs/dbraw/zinc/81/53/97/718815397.db2.gz ROIZTJLLYLFJJL-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518366 718815404 /nfs/dbraw/zinc/81/54/04/718815404.db2.gz ROIZTJLLYLFJJL-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623712 718856725 /nfs/dbraw/zinc/85/67/25/718856725.db2.gz NTKMUVVZJRHJLJ-BBWFWOEESA-N 2 1 305.466 1.683 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000967925060 719090307 /nfs/dbraw/zinc/09/03/07/719090307.db2.gz NAMJNCVKPJBBBI-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941086 719313888 /nfs/dbraw/zinc/31/38/88/719313888.db2.gz XHJJTBNEDLAPCN-UONOGXRCSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947941086 719313889 /nfs/dbraw/zinc/31/38/89/719313889.db2.gz XHJJTBNEDLAPCN-UONOGXRCSA-N 2 1 302.422 1.916 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948270417 719425609 /nfs/dbraw/zinc/42/56/09/719425609.db2.gz ZMMRSKFWULCSFI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948270417 719425614 /nfs/dbraw/zinc/42/56/14/719425614.db2.gz ZMMRSKFWULCSFI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948270417 719425619 /nfs/dbraw/zinc/42/56/19/719425619.db2.gz ZMMRSKFWULCSFI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948270417 719425621 /nfs/dbraw/zinc/42/56/21/719425621.db2.gz ZMMRSKFWULCSFI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC3CC3)CC[C@H]2C)CC1 ZINC000968682610 719734054 /nfs/dbraw/zinc/73/40/54/719734054.db2.gz SQNDEVSXNFWRCF-QAPCUYQASA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969836912 720526789 /nfs/dbraw/zinc/52/67/89/720526789.db2.gz OXKHGFTYNBDYGM-HIFRSBDPSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970419635 720754908 /nfs/dbraw/zinc/75/49/08/720754908.db2.gz FRWRZLBXXZDBMW-ZFWWWQNUSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970751084 720921991 /nfs/dbraw/zinc/92/19/91/720921991.db2.gz CRGCCOPTNXYHTJ-ZDUSSCGKSA-N 2 1 302.422 1.774 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C/C=C/Cl)C2)CC1 ZINC000970919073 720987594 /nfs/dbraw/zinc/98/75/94/720987594.db2.gz BGYKPMMXEMDMHV-BTKRWWFXSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001023557252 735308785 /nfs/dbraw/zinc/30/87/85/735308785.db2.gz VAJYUAYVSLLQEP-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557252 735308790 /nfs/dbraw/zinc/30/87/90/735308790.db2.gz VAJYUAYVSLLQEP-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001027685882 738550449 /nfs/dbraw/zinc/55/04/49/738550449.db2.gz QNDJINFLHNTXHW-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735133 733494989 /nfs/dbraw/zinc/49/49/89/733494989.db2.gz BTWLQGLMZJDCEE-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735133 733494991 /nfs/dbraw/zinc/49/49/91/733494991.db2.gz BTWLQGLMZJDCEE-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001022837231 734818434 /nfs/dbraw/zinc/81/84/34/734818434.db2.gz SATSVKRZWZHXRS-XGUBFFRZSA-N 2 1 311.857 1.993 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605683 734861048 /nfs/dbraw/zinc/86/10/48/734861048.db2.gz OMYJPHMULFNWOP-OFLPRAFFSA-N 2 1 323.481 1.546 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023371756 735203691 /nfs/dbraw/zinc/20/36/91/735203691.db2.gz DXKLLXWOXHDYPS-DOTOQJQBSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001024522868 735898782 /nfs/dbraw/zinc/89/87/82/735898782.db2.gz KJBBJSNBHXETJA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001024522868 735898786 /nfs/dbraw/zinc/89/87/86/735898786.db2.gz KJBBJSNBHXETJA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024522868 735898789 /nfs/dbraw/zinc/89/87/89/735898789.db2.gz KJBBJSNBHXETJA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001024522868 735898793 /nfs/dbraw/zinc/89/87/93/735898793.db2.gz KJBBJSNBHXETJA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024810032 736102940 /nfs/dbraw/zinc/10/29/40/736102940.db2.gz ZRUUSRYKCPKYGD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024810032 736102943 /nfs/dbraw/zinc/10/29/43/736102943.db2.gz ZRUUSRYKCPKYGD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024810032 736102945 /nfs/dbraw/zinc/10/29/45/736102945.db2.gz ZRUUSRYKCPKYGD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024810032 736102948 /nfs/dbraw/zinc/10/29/48/736102948.db2.gz ZRUUSRYKCPKYGD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104681856 736512715 /nfs/dbraw/zinc/51/27/15/736512715.db2.gz SAOPHZPMIIYEQN-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001025630974 736797682 /nfs/dbraw/zinc/79/76/82/736797682.db2.gz XSJBAVLMZFGFQO-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818645 736870452 /nfs/dbraw/zinc/87/04/52/736870452.db2.gz XRCVBBOUUZXXQL-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001025818645 736870456 /nfs/dbraw/zinc/87/04/56/736870456.db2.gz XRCVBBOUUZXXQL-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001025818645 736870460 /nfs/dbraw/zinc/87/04/60/736870460.db2.gz XRCVBBOUUZXXQL-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025818645 736870464 /nfs/dbraw/zinc/87/04/64/736870464.db2.gz XRCVBBOUUZXXQL-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818645 736870468 /nfs/dbraw/zinc/87/04/68/736870468.db2.gz XRCVBBOUUZXXQL-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932575 737385680 /nfs/dbraw/zinc/38/56/80/737385680.db2.gz AZVDJVAKRQLWPK-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001026547688 737650947 /nfs/dbraw/zinc/65/09/47/737650947.db2.gz WIOYUKIEIXITHP-GTPINHCMSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028087874 739014365 /nfs/dbraw/zinc/01/43/65/739014365.db2.gz BAFGXQXRVCHVNC-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028087874 739014367 /nfs/dbraw/zinc/01/43/67/739014367.db2.gz BAFGXQXRVCHVNC-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028087874 739014372 /nfs/dbraw/zinc/01/43/72/739014372.db2.gz BAFGXQXRVCHVNC-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590860 739723552 /nfs/dbraw/zinc/72/35/52/739723552.db2.gz HMDCTNPPERCGAO-HUUCEWRRSA-N 2 1 300.406 1.222 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590860 739723554 /nfs/dbraw/zinc/72/35/54/739723554.db2.gz HMDCTNPPERCGAO-HUUCEWRRSA-N 2 1 300.406 1.222 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001028606682 739786371 /nfs/dbraw/zinc/78/63/71/739786371.db2.gz XJOHUDCFPKOHEN-RRFJBIMHSA-N 2 1 302.422 1.918 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028625265 739799938 /nfs/dbraw/zinc/79/99/38/739799938.db2.gz PDDUIPNTSDGIAG-MRXNPFEDSA-N 2 1 303.450 1.324 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998048187 751484285 /nfs/dbraw/zinc/48/42/85/751484285.db2.gz USIIRQINEDXXKP-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998048187 751484288 /nfs/dbraw/zinc/48/42/88/751484288.db2.gz USIIRQINEDXXKP-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000998048187 751484292 /nfs/dbraw/zinc/48/42/92/751484292.db2.gz USIIRQINEDXXKP-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000998048187 751484293 /nfs/dbraw/zinc/48/42/93/751484293.db2.gz USIIRQINEDXXKP-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088616564 741976924 /nfs/dbraw/zinc/97/69/24/741976924.db2.gz BYHVZUHMDHBBAR-IKGGRYGDSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088616564 741976926 /nfs/dbraw/zinc/97/69/26/741976926.db2.gz BYHVZUHMDHBBAR-IKGGRYGDSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088616564 741976929 /nfs/dbraw/zinc/97/69/29/741976929.db2.gz BYHVZUHMDHBBAR-IKGGRYGDSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628579 751724595 /nfs/dbraw/zinc/72/45/95/751724595.db2.gz HVGWNELAFDDDPZ-MPGHIAIKSA-N 2 1 321.440 1.507 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC001076228645 742610804 /nfs/dbraw/zinc/61/08/04/742610804.db2.gz FRBAWSQFBXVSTR-SQWLQELKSA-N 2 1 312.417 1.386 20 30 DDEDMP CC#CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC001076228645 742610806 /nfs/dbraw/zinc/61/08/06/742610806.db2.gz FRBAWSQFBXVSTR-SQWLQELKSA-N 2 1 312.417 1.386 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365978 742689270 /nfs/dbraw/zinc/68/92/70/742689270.db2.gz XGZDJNVKYCPXJQ-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001076365978 742689272 /nfs/dbraw/zinc/68/92/72/742689272.db2.gz XGZDJNVKYCPXJQ-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001035721929 751810451 /nfs/dbraw/zinc/81/04/51/751810451.db2.gz GHNMUNORRPNEIT-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC=C)C1 ZINC001181763746 743333257 /nfs/dbraw/zinc/33/32/57/743333257.db2.gz IUKHFKMEGFKCLE-ZIFCJYIRSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCC=C)C1 ZINC001181763746 743333266 /nfs/dbraw/zinc/33/32/66/743333266.db2.gz IUKHFKMEGFKCLE-ZIFCJYIRSA-N 2 1 317.477 1.734 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181792346 743344820 /nfs/dbraw/zinc/34/48/20/743344820.db2.gz FDHLTGDYSSFMAG-ZHALLVOQSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035732502 751825884 /nfs/dbraw/zinc/82/58/84/751825884.db2.gz CFCXTSQRXATWMK-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035732502 751825889 /nfs/dbraw/zinc/82/58/89/751825889.db2.gz CFCXTSQRXATWMK-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184423097 744042023 /nfs/dbraw/zinc/04/20/23/744042023.db2.gz AGXDGAXPQATEMK-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184810309 744105814 /nfs/dbraw/zinc/10/58/14/744105814.db2.gz NFCAZCAHMVZWJX-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030438501 744158943 /nfs/dbraw/zinc/15/89/43/744158943.db2.gz CGNCHCOIPRJIET-KRWDZBQOSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030438501 744158945 /nfs/dbraw/zinc/15/89/45/744158945.db2.gz CGNCHCOIPRJIET-KRWDZBQOSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190222085 745144150 /nfs/dbraw/zinc/14/41/50/745144150.db2.gz ZRAHUABEOMUMAR-IRXDYDNUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190221966 745144218 /nfs/dbraw/zinc/14/42/18/745144218.db2.gz VDQVDGVZTBISTD-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643796 745282944 /nfs/dbraw/zinc/28/29/44/745282944.db2.gz DHUOTTPEKGTLNE-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190726354 745307715 /nfs/dbraw/zinc/30/77/15/745307715.db2.gz YVGCRDZEEQWFBH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC=C(C)C)C1 ZINC001190726354 745307718 /nfs/dbraw/zinc/30/77/18/745307718.db2.gz YVGCRDZEEQWFBH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190726354 745307724 /nfs/dbraw/zinc/30/77/24/745307724.db2.gz YVGCRDZEEQWFBH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1 ZINC001190726354 745307730 /nfs/dbraw/zinc/30/77/30/745307730.db2.gz YVGCRDZEEQWFBH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC=C(C)C)C1 ZINC001190726354 745307734 /nfs/dbraw/zinc/30/77/34/745307734.db2.gz YVGCRDZEEQWFBH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050571 745421726 /nfs/dbraw/zinc/42/17/26/745421726.db2.gz IYNRIFGVXAINGQ-KRWDZBQOSA-N 2 1 314.433 1.464 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001191294982 745473735 /nfs/dbraw/zinc/47/37/35/745473735.db2.gz KMKFLGWZMSXNSA-INIZCTEOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357569 745625507 /nfs/dbraw/zinc/62/55/07/745625507.db2.gz FCZZXCSJMAFVQM-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192017608 745674584 /nfs/dbraw/zinc/67/45/84/745674584.db2.gz RMYOEKDCBCYJPA-HNNXBMFYSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273923 746313228 /nfs/dbraw/zinc/31/32/28/746313228.db2.gz BUKIRBJIFQGXIG-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273923 746313233 /nfs/dbraw/zinc/31/32/33/746313233.db2.gz BUKIRBJIFQGXIG-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001195548484 746642396 /nfs/dbraw/zinc/64/23/96/746642396.db2.gz AIIZDIWGUDNWGN-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001195548484 746642399 /nfs/dbraw/zinc/64/23/99/746642399.db2.gz AIIZDIWGUDNWGN-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001195548484 746642403 /nfs/dbraw/zinc/64/24/03/746642403.db2.gz AIIZDIWGUDNWGN-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196208136 746797280 /nfs/dbraw/zinc/79/72/80/746797280.db2.gz YKODCOIYQVDWGS-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196208136 746797285 /nfs/dbraw/zinc/79/72/85/746797285.db2.gz YKODCOIYQVDWGS-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196208136 746797286 /nfs/dbraw/zinc/79/72/86/746797286.db2.gz YKODCOIYQVDWGS-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031921097 748214927 /nfs/dbraw/zinc/21/49/27/748214927.db2.gz HSNCAWHHKPJWKA-INIZCTEOSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200477359 748266180 /nfs/dbraw/zinc/26/61/80/748266180.db2.gz AFBIKEKJQIIXOU-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577640 748283435 /nfs/dbraw/zinc/28/34/35/748283435.db2.gz CJUUGJRNYUWSPI-DOTOQJQBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001201093995 748408528 /nfs/dbraw/zinc/40/85/28/748408528.db2.gz LPOLZKLWAIFHKU-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC=C(C)C)CC1 ZINC001201093995 748408533 /nfs/dbraw/zinc/40/85/33/748408533.db2.gz LPOLZKLWAIFHKU-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004452853 748440564 /nfs/dbraw/zinc/44/05/64/748440564.db2.gz UWMVRSZDPHDNGY-NXHRZFHOSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004452853 748440568 /nfs/dbraw/zinc/44/05/68/748440568.db2.gz UWMVRSZDPHDNGY-NXHRZFHOSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004452853 748440574 /nfs/dbraw/zinc/44/05/74/748440574.db2.gz UWMVRSZDPHDNGY-NXHRZFHOSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863217 748613869 /nfs/dbraw/zinc/61/38/69/748613869.db2.gz JGPBALPFWDTHJV-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033206816 748919881 /nfs/dbraw/zinc/91/98/81/748919881.db2.gz JPGKWQTYLRUDLQ-CABCVRRESA-N 2 1 300.406 1.002 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039283536 761909704 /nfs/dbraw/zinc/90/97/04/761909704.db2.gz YYSLZAONEKHGPR-OOHRUWKFSA-N 2 1 317.477 1.852 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296147 749137911 /nfs/dbraw/zinc/13/79/11/749137911.db2.gz PNHVAGLRUQKOQX-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033415830 749313366 /nfs/dbraw/zinc/31/33/66/749313366.db2.gz LLTPWXREVSVWSR-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033415830 749313371 /nfs/dbraw/zinc/31/33/71/749313371.db2.gz LLTPWXREVSVWSR-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001033685530 749715890 /nfs/dbraw/zinc/71/58/90/749715890.db2.gz LYUPTDXYVDYPSQ-RDJZCZTQSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001033685899 749716665 /nfs/dbraw/zinc/71/66/65/749716665.db2.gz WYEMQNXRGUZRLN-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CCc3ncc[nH]3)CCC[C@@H]12 ZINC001107386550 749889588 /nfs/dbraw/zinc/88/95/88/749889588.db2.gz VXMIRHTTWHRHHO-RHSMWYFYSA-N 2 1 302.422 1.889 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001039393642 761993858 /nfs/dbraw/zinc/99/38/58/761993858.db2.gz DUKWZVGVEYXEGU-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001039393642 761993861 /nfs/dbraw/zinc/99/38/61/761993861.db2.gz DUKWZVGVEYXEGU-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001039393642 761993863 /nfs/dbraw/zinc/99/38/63/761993863.db2.gz DUKWZVGVEYXEGU-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547563 750119304 /nfs/dbraw/zinc/11/93/04/750119304.db2.gz RLRPJZLGVKJFHZ-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547563 750119307 /nfs/dbraw/zinc/11/93/07/750119307.db2.gz RLRPJZLGVKJFHZ-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107547563 750119312 /nfs/dbraw/zinc/11/93/12/750119312.db2.gz RLRPJZLGVKJFHZ-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582737 750172372 /nfs/dbraw/zinc/17/23/72/750172372.db2.gz SFPNDPKZGHKFSF-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001005494332 750224666 /nfs/dbraw/zinc/22/46/66/750224666.db2.gz VVNYSLLNZKDJFZ-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001034044417 750309491 /nfs/dbraw/zinc/30/94/91/750309491.db2.gz ATNWCYTYKAXTBK-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034047706 750315828 /nfs/dbraw/zinc/31/58/28/750315828.db2.gz JXUPRTIEXUMOTB-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034047706 750315835 /nfs/dbraw/zinc/31/58/35/750315835.db2.gz JXUPRTIEXUMOTB-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034047706 750315842 /nfs/dbraw/zinc/31/58/42/750315842.db2.gz JXUPRTIEXUMOTB-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034047706 750315847 /nfs/dbraw/zinc/31/58/47/750315847.db2.gz JXUPRTIEXUMOTB-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034047697 750316200 /nfs/dbraw/zinc/31/62/00/750316200.db2.gz JXUPRTIEXUMOTB-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034047697 750316207 /nfs/dbraw/zinc/31/62/07/750316207.db2.gz JXUPRTIEXUMOTB-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034047697 750316214 /nfs/dbraw/zinc/31/62/14/750316214.db2.gz JXUPRTIEXUMOTB-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034047697 750316220 /nfs/dbraw/zinc/31/62/20/750316220.db2.gz JXUPRTIEXUMOTB-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039447780 762039514 /nfs/dbraw/zinc/03/95/14/762039514.db2.gz JTIMBFUYTGMRPC-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005574759 750653351 /nfs/dbraw/zinc/65/33/51/750653351.db2.gz MXDAEIKJJWWGTG-GDBMZVCRSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005574759 750653355 /nfs/dbraw/zinc/65/33/55/750653355.db2.gz MXDAEIKJJWWGTG-GDBMZVCRSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032472484 750948542 /nfs/dbraw/zinc/94/85/42/750948542.db2.gz UYMFEGSNABBNBR-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032472484 750948545 /nfs/dbraw/zinc/94/85/45/750948545.db2.gz UYMFEGSNABBNBR-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000998895221 752339266 /nfs/dbraw/zinc/33/92/66/752339266.db2.gz XFTSVWNSHYWFAI-BDVYOWHSSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040494595 752617394 /nfs/dbraw/zinc/61/73/94/752617394.db2.gz XZXRPPXSYITCCN-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001000755736 762160684 /nfs/dbraw/zinc/16/06/84/762160684.db2.gz AFCOZWVEPSPORD-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001000755736 762160690 /nfs/dbraw/zinc/16/06/90/762160690.db2.gz AFCOZWVEPSPORD-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001000755736 762160692 /nfs/dbraw/zinc/16/06/92/762160692.db2.gz AFCOZWVEPSPORD-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009247275 753125422 /nfs/dbraw/zinc/12/54/22/753125422.db2.gz QDSSZNZFRWZHKV-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009247275 753125426 /nfs/dbraw/zinc/12/54/26/753125426.db2.gz QDSSZNZFRWZHKV-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCO[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC001116542006 753498177 /nfs/dbraw/zinc/49/81/77/753498177.db2.gz OQFCAFBKUOXNOB-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC001116542006 753498185 /nfs/dbraw/zinc/49/81/85/753498185.db2.gz OQFCAFBKUOXNOB-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3ncc[nH]3)CC[C@@H]21 ZINC001036703072 753499650 /nfs/dbraw/zinc/49/96/50/753499650.db2.gz WKUAHUHZHACQKJ-GJZGRUSLSA-N 2 1 300.406 1.288 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000888351 762304981 /nfs/dbraw/zinc/30/49/81/762304981.db2.gz YRGQLRRELAUSMS-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888351 762304984 /nfs/dbraw/zinc/30/49/84/762304984.db2.gz YRGQLRRELAUSMS-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888351 762304993 /nfs/dbraw/zinc/30/49/93/762304993.db2.gz YRGQLRRELAUSMS-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097215433 756984530 /nfs/dbraw/zinc/98/45/30/756984530.db2.gz XVBMVTBWPZYYDO-HZMVEIRTSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097215433 756984539 /nfs/dbraw/zinc/98/45/39/756984539.db2.gz XVBMVTBWPZYYDO-HZMVEIRTSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097215433 756984548 /nfs/dbraw/zinc/98/45/48/756984548.db2.gz XVBMVTBWPZYYDO-HZMVEIRTSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097215433 756984556 /nfs/dbraw/zinc/98/45/56/756984556.db2.gz XVBMVTBWPZYYDO-HZMVEIRTSA-N 2 1 303.450 1.319 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040393571 762522991 /nfs/dbraw/zinc/52/29/91/762522991.db2.gz CAIOGZQDECBIIL-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393571 762522998 /nfs/dbraw/zinc/52/29/98/762522998.db2.gz CAIOGZQDECBIIL-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040393571 762523005 /nfs/dbraw/zinc/52/30/05/762523005.db2.gz CAIOGZQDECBIIL-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016791292 757355959 /nfs/dbraw/zinc/35/59/59/757355959.db2.gz MATKPEPTUDZNLJ-CVEARBPZSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016791292 757355973 /nfs/dbraw/zinc/35/59/73/757355973.db2.gz MATKPEPTUDZNLJ-CVEARBPZSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701653 757793059 /nfs/dbraw/zinc/79/30/59/757793059.db2.gz MMOSKNSVHSCAGP-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701653 757793064 /nfs/dbraw/zinc/79/30/64/757793064.db2.gz MMOSKNSVHSCAGP-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701653 757793071 /nfs/dbraw/zinc/79/30/71/757793071.db2.gz MMOSKNSVHSCAGP-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001018313437 758722488 /nfs/dbraw/zinc/72/24/88/758722488.db2.gz NYJZDOKMWGIKKT-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001018313437 758722496 /nfs/dbraw/zinc/72/24/96/758722496.db2.gz NYJZDOKMWGIKKT-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001018313437 758722506 /nfs/dbraw/zinc/72/25/06/758722506.db2.gz NYJZDOKMWGIKKT-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001018313437 758722527 /nfs/dbraw/zinc/72/25/27/758722527.db2.gz NYJZDOKMWGIKKT-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154169 759236021 /nfs/dbraw/zinc/23/60/21/759236021.db2.gz QOCCKOCYVZSPKU-SJLPKXTDSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054166048 759247869 /nfs/dbraw/zinc/24/78/69/759247869.db2.gz UGCLOXKGMYDYIP-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054166048 759247875 /nfs/dbraw/zinc/24/78/75/759247875.db2.gz UGCLOXKGMYDYIP-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001054184942 759269244 /nfs/dbraw/zinc/26/92/44/759269244.db2.gz OXYVIAMFVYRJQB-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184942 759269252 /nfs/dbraw/zinc/26/92/52/759269252.db2.gz OXYVIAMFVYRJQB-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001054184942 759269262 /nfs/dbraw/zinc/26/92/62/759269262.db2.gz OXYVIAMFVYRJQB-JENIJYKNSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001108213391 760384743 /nfs/dbraw/zinc/38/47/43/760384743.db2.gz NXZJCSQBCXPUNU-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213391 760384750 /nfs/dbraw/zinc/38/47/50/760384750.db2.gz NXZJCSQBCXPUNU-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213391 760384760 /nfs/dbraw/zinc/38/47/60/760384760.db2.gz NXZJCSQBCXPUNU-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213391 760384769 /nfs/dbraw/zinc/38/47/69/760384769.db2.gz NXZJCSQBCXPUNU-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CC2)CC1 ZINC001085986752 760657541 /nfs/dbraw/zinc/65/75/41/760657541.db2.gz MENWHWQMSXRHMI-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086236266 761222520 /nfs/dbraw/zinc/22/25/20/761222520.db2.gz CYVKPCJDHUFUDM-OTVXOJSOSA-N 2 1 311.389 1.551 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000203416 761572054 /nfs/dbraw/zinc/57/20/54/761572054.db2.gz WRAOSVXOBURFEX-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC001000258590 761606044 /nfs/dbraw/zinc/60/60/44/761606044.db2.gz CWXWPPTZUUYNSE-NVXWUHKLSA-N 2 1 317.477 1.568 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001039006766 761639442 /nfs/dbraw/zinc/63/94/42/761639442.db2.gz OGNWGIXEZGUBQC-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001039006766 761639447 /nfs/dbraw/zinc/63/94/47/761639447.db2.gz OGNWGIXEZGUBQC-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001039006766 761639450 /nfs/dbraw/zinc/63/94/50/761639450.db2.gz OGNWGIXEZGUBQC-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001039006766 761639455 /nfs/dbraw/zinc/63/94/55/761639455.db2.gz OGNWGIXEZGUBQC-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC(CC)CC)CC1 ZINC001039041448 761681499 /nfs/dbraw/zinc/68/14/99/761681499.db2.gz CUPHAUXSVYRXQI-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109534 761781120 /nfs/dbraw/zinc/78/11/20/761781120.db2.gz GYIITDUMIMHMCN-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849005 762705116 /nfs/dbraw/zinc/70/51/16/762705116.db2.gz NAXXKGCPFOAAIU-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404822 762832906 /nfs/dbraw/zinc/83/29/06/762832906.db2.gz MNEHMRJCTZWZEM-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001108763993 762923956 /nfs/dbraw/zinc/92/39/56/762923956.db2.gz AMRYXAZYKPXWDW-BBWFWOEESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357816 762977828 /nfs/dbraw/zinc/97/78/28/762977828.db2.gz IZLRGIKDRICZIR-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357816 762977831 /nfs/dbraw/zinc/97/78/31/762977831.db2.gz IZLRGIKDRICZIR-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357816 762977834 /nfs/dbraw/zinc/97/78/34/762977834.db2.gz IZLRGIKDRICZIR-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC=C)C2)C1 ZINC001041372036 762985262 /nfs/dbraw/zinc/98/52/62/762985262.db2.gz PWAOMDNLFFAUAJ-WMZOPIPTSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC=C)C2)C1 ZINC001041372036 762985268 /nfs/dbraw/zinc/98/52/68/762985268.db2.gz PWAOMDNLFFAUAJ-WMZOPIPTSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC=C)C2)C1 ZINC001041372036 762985272 /nfs/dbraw/zinc/98/52/72/762985272.db2.gz PWAOMDNLFFAUAJ-WMZOPIPTSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC=C)C2)C1 ZINC001041372036 762985277 /nfs/dbraw/zinc/98/52/77/762985277.db2.gz PWAOMDNLFFAUAJ-WMZOPIPTSA-N 2 1 301.434 1.194 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050065441 763081218 /nfs/dbraw/zinc/08/12/18/763081218.db2.gz ABUDFIKNHFQDHL-ARFHVFGLSA-N 2 1 314.433 1.869 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050065441 763081226 /nfs/dbraw/zinc/08/12/26/763081226.db2.gz ABUDFIKNHFQDHL-ARFHVFGLSA-N 2 1 314.433 1.869 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041673737 763212973 /nfs/dbraw/zinc/21/29/73/763212973.db2.gz DDPNWZJEDCRRCH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041679804 763218527 /nfs/dbraw/zinc/21/85/27/763218527.db2.gz ODEWHLDEEGEIGG-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679804 763218532 /nfs/dbraw/zinc/21/85/32/763218532.db2.gz ODEWHLDEEGEIGG-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679804 763218540 /nfs/dbraw/zinc/21/85/40/763218540.db2.gz ODEWHLDEEGEIGG-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050519480 763697920 /nfs/dbraw/zinc/69/79/20/763697920.db2.gz JHVJGEZBPHIEBS-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050539673 763729390 /nfs/dbraw/zinc/72/93/90/763729390.db2.gz VNAUTXXVJVOTDJ-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216666 763779755 /nfs/dbraw/zinc/77/97/55/763779755.db2.gz QJLLNLZSYANERX-DOTOQJQBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001050591745 763797488 /nfs/dbraw/zinc/79/74/88/763797488.db2.gz AQHGUVSVGCSNBK-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297783 763879236 /nfs/dbraw/zinc/87/92/36/763879236.db2.gz VKGAENVZSJTYGO-SJLPKXTDSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316392 763906010 /nfs/dbraw/zinc/90/60/10/763906010.db2.gz LNHHNEZWCAQPTI-WMLDXEAASA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316392 763906018 /nfs/dbraw/zinc/90/60/18/763906018.db2.gz LNHHNEZWCAQPTI-WMLDXEAASA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131692029 768275391 /nfs/dbraw/zinc/27/53/91/768275391.db2.gz CPPJLZTUYCCACA-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692029 768275394 /nfs/dbraw/zinc/27/53/94/768275394.db2.gz CPPJLZTUYCCACA-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692029 768275398 /nfs/dbraw/zinc/27/53/98/768275398.db2.gz CPPJLZTUYCCACA-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653650 766040607 /nfs/dbraw/zinc/04/06/07/766040607.db2.gz OLQAJAWDKKICBM-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653650 766040611 /nfs/dbraw/zinc/04/06/11/766040611.db2.gz OLQAJAWDKKICBM-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653650 766040618 /nfs/dbraw/zinc/04/06/18/766040618.db2.gz OLQAJAWDKKICBM-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653650 766040626 /nfs/dbraw/zinc/04/06/26/766040626.db2.gz OLQAJAWDKKICBM-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265676 768347327 /nfs/dbraw/zinc/34/73/27/768347327.db2.gz VINHDJAEWADQBM-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045538870 766387466 /nfs/dbraw/zinc/38/74/66/766387466.db2.gz OQGNHVQMVZPULV-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)nsc1C ZINC001129762066 766991368 /nfs/dbraw/zinc/99/13/68/766991368.db2.gz FWLBSXZRXQAJSC-HNNXBMFYSA-N 2 1 320.462 1.063 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)nsc1C ZINC001129762066 766991371 /nfs/dbraw/zinc/99/13/71/766991371.db2.gz FWLBSXZRXQAJSC-HNNXBMFYSA-N 2 1 320.462 1.063 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001129791093 766996780 /nfs/dbraw/zinc/99/67/80/766996780.db2.gz RHQMOZOCPNJAON-YOEHRIQHSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001129791093 766996783 /nfs/dbraw/zinc/99/67/83/766996783.db2.gz RHQMOZOCPNJAON-YOEHRIQHSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628548 782601949 /nfs/dbraw/zinc/60/19/49/782601949.db2.gz QGLFLERHEXUOCA-XLWKGDHDSA-N 2 1 317.477 1.757 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047584651 768590074 /nfs/dbraw/zinc/59/00/74/768590074.db2.gz WOMNWKFZTQVWET-IRXDYDNUSA-N 2 1 323.481 1.186 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406772 768809856 /nfs/dbraw/zinc/80/98/56/768809856.db2.gz OWZPJLZQUBTLIF-GJZGRUSLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976462 769378025 /nfs/dbraw/zinc/37/80/25/769378025.db2.gz FAJXGLAXTYDILK-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001048531964 769501825 /nfs/dbraw/zinc/50/18/25/769501825.db2.gz MQBSYNSXSSLIOQ-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531964 769501831 /nfs/dbraw/zinc/50/18/31/769501831.db2.gz MQBSYNSXSSLIOQ-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001048531964 769501836 /nfs/dbraw/zinc/50/18/36/769501836.db2.gz MQBSYNSXSSLIOQ-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562224 769535319 /nfs/dbraw/zinc/53/53/19/769535319.db2.gz KURYTMYTJORIAA-UUAJXVIYSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562224 769535323 /nfs/dbraw/zinc/53/53/23/769535323.db2.gz KURYTMYTJORIAA-UUAJXVIYSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562224 769535331 /nfs/dbraw/zinc/53/53/31/769535331.db2.gz KURYTMYTJORIAA-UUAJXVIYSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048860673 770002893 /nfs/dbraw/zinc/00/28/93/770002893.db2.gz ALCKFIQQHNLPNV-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048860673 770002905 /nfs/dbraw/zinc/00/29/05/770002905.db2.gz ALCKFIQQHNLPNV-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048860673 770002914 /nfs/dbraw/zinc/00/29/14/770002914.db2.gz ALCKFIQQHNLPNV-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887786 770052023 /nfs/dbraw/zinc/05/20/23/770052023.db2.gz DINSIIGZQVMOAF-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887786 770052035 /nfs/dbraw/zinc/05/20/35/770052035.db2.gz DINSIIGZQVMOAF-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887786 770052044 /nfs/dbraw/zinc/05/20/44/770052044.db2.gz DINSIIGZQVMOAF-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4nccn4C3)C[C@H]2C1 ZINC001048901373 770084244 /nfs/dbraw/zinc/08/42/44/770084244.db2.gz XTFJKEDSWZKJOA-SOUVJXGZSA-N 2 1 300.406 1.022 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175375 770503366 /nfs/dbraw/zinc/50/33/66/770503366.db2.gz VIVQOQFIEHGYPG-GASCZTMLSA-N 2 1 312.417 1.175 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175375 770503374 /nfs/dbraw/zinc/50/33/74/770503374.db2.gz VIVQOQFIEHGYPG-GASCZTMLSA-N 2 1 312.417 1.175 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C2)CC1 ZINC001049234203 770578903 /nfs/dbraw/zinc/57/89/03/770578903.db2.gz BLRZOFXKPONNDB-CALCHBBNSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049514380 770959239 /nfs/dbraw/zinc/95/92/39/770959239.db2.gz DFVQPAMQBBCYGO-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049514380 770959243 /nfs/dbraw/zinc/95/92/43/770959243.db2.gz DFVQPAMQBBCYGO-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049514380 770959245 /nfs/dbraw/zinc/95/92/45/770959245.db2.gz DFVQPAMQBBCYGO-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC)CC1 ZINC001049916948 771257318 /nfs/dbraw/zinc/25/73/18/771257318.db2.gz GNIQFIAIEPYSIE-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063140 771603118 /nfs/dbraw/zinc/60/31/18/771603118.db2.gz HWFUDKKGTXRBEI-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063140 771603120 /nfs/dbraw/zinc/60/31/20/771603120.db2.gz HWFUDKKGTXRBEI-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063140 771603122 /nfs/dbraw/zinc/60/31/22/771603122.db2.gz HWFUDKKGTXRBEI-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001091068984 772505546 /nfs/dbraw/zinc/50/55/46/772505546.db2.gz LSZYMTZZSXYLRI-VMBOVVBDSA-N 2 1 321.465 1.300 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001171215425 772604589 /nfs/dbraw/zinc/60/45/89/772604589.db2.gz CMRVNEJFGGRPKV-GOSISDBHSA-N 2 1 313.445 1.476 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073746461 773369932 /nfs/dbraw/zinc/36/99/32/773369932.db2.gz YRJOVUNETJTTOD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746461 773369937 /nfs/dbraw/zinc/36/99/37/773369937.db2.gz YRJOVUNETJTTOD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746461 773369939 /nfs/dbraw/zinc/36/99/39/773369939.db2.gz YRJOVUNETJTTOD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899473 773510731 /nfs/dbraw/zinc/51/07/31/773510731.db2.gz UWSBURALKYGABK-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899473 773510735 /nfs/dbraw/zinc/51/07/35/773510735.db2.gz UWSBURALKYGABK-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899473 773510738 /nfs/dbraw/zinc/51/07/38/773510738.db2.gz UWSBURALKYGABK-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899471 773510841 /nfs/dbraw/zinc/51/08/41/773510841.db2.gz UWSBURALKYGABK-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899471 773510843 /nfs/dbraw/zinc/51/08/43/773510843.db2.gz UWSBURALKYGABK-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899471 773510845 /nfs/dbraw/zinc/51/08/45/773510845.db2.gz UWSBURALKYGABK-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001148638665 773561621 /nfs/dbraw/zinc/56/16/21/773561621.db2.gz LVMKKKJGZOFBOH-UHFFFAOYSA-N 2 1 321.852 1.739 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091959574 773898356 /nfs/dbraw/zinc/89/83/56/773898356.db2.gz AKUXKJSVCFITKU-QAPCUYQASA-N 2 1 315.417 1.368 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091959574 773898361 /nfs/dbraw/zinc/89/83/61/773898361.db2.gz AKUXKJSVCFITKU-QAPCUYQASA-N 2 1 315.417 1.368 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091985280 773901047 /nfs/dbraw/zinc/90/10/47/773901047.db2.gz NBKGEGCNLNFVQB-NUJGCVRESA-N 2 1 305.466 1.376 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407364 773902590 /nfs/dbraw/zinc/90/25/90/773902590.db2.gz DLNBCFIZDYCEET-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407364 773902597 /nfs/dbraw/zinc/90/25/97/773902597.db2.gz DLNBCFIZDYCEET-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092200280 774002112 /nfs/dbraw/zinc/00/21/12/774002112.db2.gz HHCNGTGGUFRVSG-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092200280 774002121 /nfs/dbraw/zinc/00/21/21/774002121.db2.gz HHCNGTGGUFRVSG-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092200280 774002124 /nfs/dbraw/zinc/00/21/24/774002124.db2.gz HHCNGTGGUFRVSG-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001074880641 774210601 /nfs/dbraw/zinc/21/06/01/774210601.db2.gz OQNKBTHEGZKKME-BJJXKVORSA-N 2 1 302.422 1.519 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001074880507 774210812 /nfs/dbraw/zinc/21/08/12/774210812.db2.gz COZMHQFRNFOKBW-ZQIUZPCESA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001074880506 774210976 /nfs/dbraw/zinc/21/09/76/774210976.db2.gz COZMHQFRNFOKBW-GRDNDAEWSA-N 2 1 309.429 1.411 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098923284 774722814 /nfs/dbraw/zinc/72/28/14/774722814.db2.gz GKWKPVXRYZHWQE-LPHOPBHVSA-N 2 1 322.412 1.942 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842729 774895294 /nfs/dbraw/zinc/89/52/94/774895294.db2.gz UJMZDTZLWLUQMN-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036842729 774895299 /nfs/dbraw/zinc/89/52/99/774895299.db2.gz UJMZDTZLWLUQMN-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001100466872 776194873 /nfs/dbraw/zinc/19/48/73/776194873.db2.gz XSOMELUBJSDBJV-UHFFFAOYSA-N 2 1 320.437 1.800 20 30 DDEDMP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172317032 776747235 /nfs/dbraw/zinc/74/72/35/776747235.db2.gz ADZDIQUWNUXDFA-INIZCTEOSA-N 2 1 300.450 1.668 20 30 DDEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001101522409 777206741 /nfs/dbraw/zinc/20/67/41/777206741.db2.gz ZRXXMLJUQITQIT-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102045122 777828292 /nfs/dbraw/zinc/82/82/92/777828292.db2.gz SCGVFFGEDMHOCE-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045122 777828299 /nfs/dbraw/zinc/82/82/99/777828299.db2.gz SCGVFFGEDMHOCE-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045122 777828306 /nfs/dbraw/zinc/82/83/06/777828306.db2.gz SCGVFFGEDMHOCE-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312502 778044635 /nfs/dbraw/zinc/04/46/35/778044635.db2.gz AHGNKDQDHNQOPK-NVXWUHKLSA-N 2 1 323.481 1.215 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH2+]CC#CCOC ZINC001176285694 778101052 /nfs/dbraw/zinc/10/10/52/778101052.db2.gz OWNBRSRBAYISNQ-INIZCTEOSA-N 2 1 311.470 1.243 20 30 DDEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176686168 778212280 /nfs/dbraw/zinc/21/22/80/778212280.db2.gz RQKANDPEYJTJSR-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176686168 778212285 /nfs/dbraw/zinc/21/22/85/778212285.db2.gz RQKANDPEYJTJSR-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088890 778441520 /nfs/dbraw/zinc/44/15/20/778441520.db2.gz OOILBEYYLVFTAQ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088890 778441523 /nfs/dbraw/zinc/44/15/23/778441523.db2.gz OOILBEYYLVFTAQ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060334 778609203 /nfs/dbraw/zinc/60/92/03/778609203.db2.gz GRBZGDPNMKNRPA-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060334 778609208 /nfs/dbraw/zinc/60/92/08/778609208.db2.gz GRBZGDPNMKNRPA-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060334 778609212 /nfs/dbraw/zinc/60/92/12/778609212.db2.gz GRBZGDPNMKNRPA-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001103495580 778901843 /nfs/dbraw/zinc/90/18/43/778901843.db2.gz JKTVNQBGOGEIDY-FGTMMUONSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179719393 779467941 /nfs/dbraw/zinc/46/79/41/779467941.db2.gz FBLDKYSBEZAIIG-ULQDDVLXSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112285461 779689966 /nfs/dbraw/zinc/68/99/66/779689966.db2.gz XWHJKLVAIZEPKD-JZXOWHBKSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112429054 779775095 /nfs/dbraw/zinc/77/50/95/779775095.db2.gz QOAHGYAOSCEGLF-JZXOWHBKSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115104451 779877316 /nfs/dbraw/zinc/87/73/16/779877316.db2.gz VPICWOULMNAJFD-FAJBIJEISA-N 2 1 311.429 1.143 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115578104 780246323 /nfs/dbraw/zinc/24/63/23/780246323.db2.gz ZKMFMFNRVIBLOQ-KRWDZBQOSA-N 2 1 317.477 1.903 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCCCC1 ZINC001115578104 780246330 /nfs/dbraw/zinc/24/63/30/780246330.db2.gz ZKMFMFNRVIBLOQ-KRWDZBQOSA-N 2 1 317.477 1.903 20 30 DDEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267184898 837490815 /nfs/dbraw/zinc/49/08/15/837490815.db2.gz FNFSKEOJZZMFFM-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001266621420 836550062 /nfs/dbraw/zinc/55/00/62/836550062.db2.gz DNXXZRWRZMHQCE-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001266621420 836550064 /nfs/dbraw/zinc/55/00/64/836550064.db2.gz DNXXZRWRZMHQCE-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266716365 836718123 /nfs/dbraw/zinc/71/81/23/836718123.db2.gz JBTMBRUODPDDRX-BBWFWOEESA-N 2 1 321.465 1.136 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266770582 836806769 /nfs/dbraw/zinc/80/67/69/836806769.db2.gz YWZVQNKHGNWYII-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001266870413 836974497 /nfs/dbraw/zinc/97/44/97/836974497.db2.gz JMQWWNYWRNLQHA-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267779532 838958995 /nfs/dbraw/zinc/95/89/95/838958995.db2.gz RWTGTOXLJRAAMH-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@@H]1C ZINC001267871220 839106436 /nfs/dbraw/zinc/10/64/36/839106436.db2.gz DFWVGVAHRNWIAI-MAUKXSAKSA-N 2 1 316.449 1.870 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001268226625 839859185 /nfs/dbraw/zinc/85/91/85/839859185.db2.gz CABFSHQONDWIQC-HOTGVXAUSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001268226625 839859192 /nfs/dbraw/zinc/85/91/92/839859192.db2.gz CABFSHQONDWIQC-HOTGVXAUSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001270082430 842279145 /nfs/dbraw/zinc/27/91/45/842279145.db2.gz ARFIHUHLKZEIGX-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001271325777 843496465 /nfs/dbraw/zinc/49/64/65/843496465.db2.gz HDOFQQABNQOHPF-JKSUJKDBSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001271325777 843496472 /nfs/dbraw/zinc/49/64/72/843496472.db2.gz HDOFQQABNQOHPF-JKSUJKDBSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001271440009 843596872 /nfs/dbraw/zinc/59/68/72/843596872.db2.gz VRKDCHKIJAHCBQ-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000996993021 847077517 /nfs/dbraw/zinc/07/75/17/847077517.db2.gz QEHMMNFOKUFARA-ZBFHGGJFSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000996993021 847077527 /nfs/dbraw/zinc/07/75/27/847077527.db2.gz QEHMMNFOKUFARA-ZBFHGGJFSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816900 847185361 /nfs/dbraw/zinc/18/53/61/847185361.db2.gz JJWVAXKHTSQDRV-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816900 847185363 /nfs/dbraw/zinc/18/53/63/847185363.db2.gz JJWVAXKHTSQDRV-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816900 847185366 /nfs/dbraw/zinc/18/53/66/847185366.db2.gz JJWVAXKHTSQDRV-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP N#CCCCN1CC[C@@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273030920 847813188 /nfs/dbraw/zinc/81/31/88/847813188.db2.gz REBVVWWVRPWVNV-KRWDZBQOSA-N 2 1 304.438 1.357 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034210384 848117584 /nfs/dbraw/zinc/11/75/84/848117584.db2.gz OBKHWVNODSZBCU-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034213381 848120327 /nfs/dbraw/zinc/12/03/27/848120327.db2.gz XFHMIFKQSOEVBR-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001034401919 848468269 /nfs/dbraw/zinc/46/82/69/848468269.db2.gz WXNRZOYAJNYCKZ-ZIAGYGMSSA-N 2 1 302.422 1.986 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001149841327 861934577 /nfs/dbraw/zinc/93/45/77/861934577.db2.gz COCUPGCNMUHWPI-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841327 861934586 /nfs/dbraw/zinc/93/45/86/861934586.db2.gz COCUPGCNMUHWPI-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841327 861934594 /nfs/dbraw/zinc/93/45/94/861934594.db2.gz COCUPGCNMUHWPI-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841327 861934603 /nfs/dbraw/zinc/93/46/03/861934603.db2.gz COCUPGCNMUHWPI-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)O2 ZINC001273669140 851204862 /nfs/dbraw/zinc/20/48/62/851204862.db2.gz NRMNIVKTFHZALK-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274111351 851937881 /nfs/dbraw/zinc/93/78/81/851937881.db2.gz XEBPKQAFTRGJQL-GOSISDBHSA-N 2 1 308.385 1.534 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274111351 851937882 /nfs/dbraw/zinc/93/78/82/851937882.db2.gz XEBPKQAFTRGJQL-GOSISDBHSA-N 2 1 308.385 1.534 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001275115808 852816015 /nfs/dbraw/zinc/81/60/15/852816015.db2.gz RFZUASFGYLHABD-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001275115808 852816022 /nfs/dbraw/zinc/81/60/22/852816022.db2.gz RFZUASFGYLHABD-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001275115808 852816025 /nfs/dbraw/zinc/81/60/25/852816025.db2.gz RFZUASFGYLHABD-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001155789221 862448888 /nfs/dbraw/zinc/44/88/88/862448888.db2.gz CBUVDSKMICTFNI-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001275649597 853490152 /nfs/dbraw/zinc/49/01/52/853490152.db2.gz WUAMLVCOBNYJAT-HNNXBMFYSA-N 2 1 311.470 1.051 20 30 DDEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001275649597 853490161 /nfs/dbraw/zinc/49/01/61/853490161.db2.gz WUAMLVCOBNYJAT-HNNXBMFYSA-N 2 1 311.470 1.051 20 30 DDEDMP COCC#CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275649597 853490169 /nfs/dbraw/zinc/49/01/69/853490169.db2.gz WUAMLVCOBNYJAT-HNNXBMFYSA-N 2 1 311.470 1.051 20 30 DDEDMP C=CCC[NH2+]CCCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001276010811 854153893 /nfs/dbraw/zinc/15/38/93/854153893.db2.gz AEACNOQLAKGWMT-MRXNPFEDSA-N 2 1 319.453 1.804 20 30 DDEDMP C=CCC[NH2+]CCCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001276010811 854153899 /nfs/dbraw/zinc/15/38/99/854153899.db2.gz AEACNOQLAKGWMT-MRXNPFEDSA-N 2 1 319.453 1.804 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001006432894 855405440 /nfs/dbraw/zinc/40/54/40/855405440.db2.gz BFUOCPPQZZEOSR-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006432894 855405443 /nfs/dbraw/zinc/40/54/43/855405443.db2.gz BFUOCPPQZZEOSR-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001328079165 862678314 /nfs/dbraw/zinc/67/83/14/862678314.db2.gz ACOFDHHWFUNUKL-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001328079165 862678317 /nfs/dbraw/zinc/67/83/17/862678317.db2.gz ACOFDHHWFUNUKL-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001328079165 862678319 /nfs/dbraw/zinc/67/83/19/862678319.db2.gz ACOFDHHWFUNUKL-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072849931 857797777 /nfs/dbraw/zinc/79/77/77/857797777.db2.gz NZJIUWPDKQTNDR-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072849931 857797780 /nfs/dbraw/zinc/79/77/80/857797780.db2.gz NZJIUWPDKQTNDR-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072849931 857797781 /nfs/dbraw/zinc/79/77/81/857797781.db2.gz NZJIUWPDKQTNDR-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001328412412 862957471 /nfs/dbraw/zinc/95/74/71/862957471.db2.gz ABXUTCJAPXOJAN-WMLDXEAASA-N 2 1 311.445 1.707 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033534 858025040 /nfs/dbraw/zinc/02/50/40/858025040.db2.gz NQVYTIUETSQCRV-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033534 858025050 /nfs/dbraw/zinc/02/50/50/858025050.db2.gz NQVYTIUETSQCRV-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033534 858025059 /nfs/dbraw/zinc/02/50/59/858025059.db2.gz NQVYTIUETSQCRV-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125934 858121355 /nfs/dbraw/zinc/12/13/55/858121355.db2.gz OVXOZTDNPDZNHS-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073129349 858125534 /nfs/dbraw/zinc/12/55/34/858125534.db2.gz TXFLKSSSOWXVAA-UHFFFAOYSA-N 2 1 314.433 1.872 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073129349 858125536 /nfs/dbraw/zinc/12/55/36/858125536.db2.gz TXFLKSSSOWXVAA-UHFFFAOYSA-N 2 1 314.433 1.872 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001121773400 858592788 /nfs/dbraw/zinc/59/27/88/858592788.db2.gz ROGAMEIRWPPDAC-JFPDKAJLSA-N 2 1 303.450 1.369 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122056234 858673788 /nfs/dbraw/zinc/67/37/88/858673788.db2.gz NERIMZGWQURTNJ-XOGYLQAWSA-N 2 1 303.450 1.369 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001202939249 860417085 /nfs/dbraw/zinc/41/70/85/860417085.db2.gz CBSDLLZMHXNFRL-UHFFFAOYSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCCN1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001329692585 863793698 /nfs/dbraw/zinc/79/36/98/863793698.db2.gz GHURTLPFWCNMTB-MRXNPFEDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001329692585 863793703 /nfs/dbraw/zinc/79/37/03/863793703.db2.gz GHURTLPFWCNMTB-MRXNPFEDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001329692585 863793708 /nfs/dbraw/zinc/79/37/08/863793708.db2.gz GHURTLPFWCNMTB-MRXNPFEDSA-N 2 1 323.481 1.238 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001153990561 864288211 /nfs/dbraw/zinc/28/82/11/864288211.db2.gz KDOLEQRWQOMUOW-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124198 864444142 /nfs/dbraw/zinc/44/41/42/864444142.db2.gz LYULVIOCGJSMSN-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124198 864444143 /nfs/dbraw/zinc/44/41/43/864444143.db2.gz LYULVIOCGJSMSN-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124198 864444146 /nfs/dbraw/zinc/44/41/46/864444146.db2.gz LYULVIOCGJSMSN-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124198 864444149 /nfs/dbraw/zinc/44/41/49/864444149.db2.gz LYULVIOCGJSMSN-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158336157 864586764 /nfs/dbraw/zinc/58/67/64/864586764.db2.gz ILIKHIXVGPZLBY-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158336157 864586767 /nfs/dbraw/zinc/58/67/67/864586767.db2.gz ILIKHIXVGPZLBY-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158336157 864586769 /nfs/dbraw/zinc/58/67/69/864586769.db2.gz ILIKHIXVGPZLBY-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869250 865572966 /nfs/dbraw/zinc/57/29/66/865572966.db2.gz WWPGPDHLGJDFRA-INIZCTEOSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001332218123 865673358 /nfs/dbraw/zinc/67/33/58/865673358.db2.gz JUCAMVUVVHPNBQ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP N#CC1(c2ccc(N[C@@]3(C[NH3+])C[NH+]4CCC3CC4)nc2)CCC1 ZINC001160513536 865899107 /nfs/dbraw/zinc/89/91/07/865899107.db2.gz OXHMZRIOLVCCMO-SFHVURJKSA-N 2 1 311.433 1.862 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001161041278 866306142 /nfs/dbraw/zinc/30/61/42/866306142.db2.gz HQWLQJZFCHHLSC-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001323472918 866631183 /nfs/dbraw/zinc/63/11/83/866631183.db2.gz TVSATMSGQUXEMB-CVEARBPZSA-N 2 1 321.465 1.444 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699033 866902327 /nfs/dbraw/zinc/90/23/27/866902327.db2.gz LFPLPUPLBXKNLO-UHFFFAOYSA-N 2 1 309.454 1.279 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC#C)CC2)CC1 ZINC001161946860 867128154 /nfs/dbraw/zinc/12/81/54/867128154.db2.gz IUKRGXLUMFJTAD-UHFFFAOYSA-N 2 1 313.445 1.103 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)C(C)(C)[N@H+](C)CC)(COC)CC1 ZINC001162336099 867464623 /nfs/dbraw/zinc/46/46/23/867464623.db2.gz XGVCULOAAMTOJG-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001324726843 867479805 /nfs/dbraw/zinc/47/98/05/867479805.db2.gz DKIOOBBOXYBTFC-QAPCUYQASA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001324727806 867482570 /nfs/dbraw/zinc/48/25/70/867482570.db2.gz METXMTJNOLURGY-JZXOWHBKSA-N 2 1 305.466 1.568 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001166633202 870112969 /nfs/dbraw/zinc/11/29/69/870112969.db2.gz CEJAAVIBGAONHE-OAHLLOKOSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203507769 870603782 /nfs/dbraw/zinc/60/37/82/870603782.db2.gz UYKZXHRHOJLTOZ-HOTGVXAUSA-N 2 1 321.465 1.302 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001317431513 870822037 /nfs/dbraw/zinc/82/20/37/870822037.db2.gz JTSAWACWWKSIQS-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317585645 871144173 /nfs/dbraw/zinc/14/41/73/871144173.db2.gz UBLGLCDSRGWFQD-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001317664108 871354055 /nfs/dbraw/zinc/35/40/55/871354055.db2.gz JGSCGHAGTFILJC-UHFFFAOYSA-N 2 1 308.451 1.508 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001317677402 871390035 /nfs/dbraw/zinc/39/00/35/871390035.db2.gz OMYABLOLGNNSDQ-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001341382875 871632333 /nfs/dbraw/zinc/63/23/33/871632333.db2.gz KLCPQMBFGVUAOW-SJORKVTESA-N 2 1 322.497 1.297 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001341382875 871632339 /nfs/dbraw/zinc/63/23/39/871632339.db2.gz KLCPQMBFGVUAOW-SJORKVTESA-N 2 1 322.497 1.297 20 30 DDEDMP C#CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[N@H+](C)CCC ZINC001316724683 871980672 /nfs/dbraw/zinc/98/06/72/871980672.db2.gz VOGJZFMEHWZCLJ-BPQIPLTHSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001316724683 871980683 /nfs/dbraw/zinc/98/06/83/871980683.db2.gz VOGJZFMEHWZCLJ-BPQIPLTHSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001316724683 871980698 /nfs/dbraw/zinc/98/06/98/871980698.db2.gz VOGJZFMEHWZCLJ-BPQIPLTHSA-N 2 1 319.493 1.957 20 30 DDEDMP C[C@@H]1C[C@H]2CC[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C[N@H+]2C1 ZINC001347617679 874214964 /nfs/dbraw/zinc/21/49/64/874214964.db2.gz OUQKHZONUKUBBN-QLFBSQMISA-N 2 1 304.438 1.211 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001276680808 875293653 /nfs/dbraw/zinc/29/36/53/875293653.db2.gz KEXAYHFOPNQCQC-KRWDZBQOSA-N 2 1 323.400 1.389 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213221556 875852494 /nfs/dbraw/zinc/85/24/94/875852494.db2.gz IHDIPKYQOKEEAL-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444923 883025007 /nfs/dbraw/zinc/02/50/07/883025007.db2.gz WGTKNCKIEQTYOL-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216755855 877043790 /nfs/dbraw/zinc/04/37/90/877043790.db2.gz HENIFEZHJWTQJL-IIAWOOMASA-N 2 1 304.438 1.983 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801638 877061623 /nfs/dbraw/zinc/06/16/23/877061623.db2.gz PNRXMZKJJBWCLV-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801638 877061636 /nfs/dbraw/zinc/06/16/36/877061636.db2.gz PNRXMZKJJBWCLV-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC001353383407 877293241 /nfs/dbraw/zinc/29/32/41/877293241.db2.gz AVBMROHEWIPNJW-INIZCTEOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC001353383407 877293260 /nfs/dbraw/zinc/29/32/60/877293260.db2.gz AVBMROHEWIPNJW-INIZCTEOSA-N 2 1 320.481 1.505 20 30 DDEDMP N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218204688 877417940 /nfs/dbraw/zinc/41/79/40/877417940.db2.gz WQQFUALKQWHTRB-WMLDXEAASA-N 3 1 300.406 1.100 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001379696793 877764561 /nfs/dbraw/zinc/76/45/61/877764561.db2.gz QXTYUZMQHVBEPH-KBPBESRZSA-N 2 1 310.829 1.819 20 30 DDEDMP C[N@H+]1CCCN(CCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC001356583572 879115135 /nfs/dbraw/zinc/11/51/35/879115135.db2.gz JLLWDKMSDVTLOQ-GOSISDBHSA-N 2 1 316.449 1.209 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073133 879480378 /nfs/dbraw/zinc/48/03/78/879480378.db2.gz HQFSDAPZITYJDF-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222091933 880237268 /nfs/dbraw/zinc/23/72/68/880237268.db2.gz DZBFJNCUEDHAKU-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222091933 880237285 /nfs/dbraw/zinc/23/72/85/880237285.db2.gz DZBFJNCUEDHAKU-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP N#Cc1cc(Cl)ccc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222099420 880249496 /nfs/dbraw/zinc/24/94/96/880249496.db2.gz GHGFDJZUJKWIDN-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001277655633 886341198 /nfs/dbraw/zinc/34/11/98/886341198.db2.gz QQFJZTDFKHUCOK-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339747 888568281 /nfs/dbraw/zinc/56/82/81/888568281.db2.gz YNSAIETZIAXYKC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001235339747 888568290 /nfs/dbraw/zinc/56/82/90/888568290.db2.gz YNSAIETZIAXYKC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001235339747 888568302 /nfs/dbraw/zinc/56/83/02/888568302.db2.gz YNSAIETZIAXYKC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001235339747 888568314 /nfs/dbraw/zinc/56/83/14/888568314.db2.gz YNSAIETZIAXYKC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCOCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278388905 891922130 /nfs/dbraw/zinc/92/21/30/891922130.db2.gz NZPGZQOUEDGSRF-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278388905 891922134 /nfs/dbraw/zinc/92/21/34/891922134.db2.gz NZPGZQOUEDGSRF-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278388905 891922138 /nfs/dbraw/zinc/92/21/38/891922138.db2.gz NZPGZQOUEDGSRF-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP CCCCCCCC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246001034 892319831 /nfs/dbraw/zinc/31/98/31/892319831.db2.gz GHMZYMMDOONWCL-XHSDSOJGSA-N 2 1 314.470 1.839 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246307256 892528668 /nfs/dbraw/zinc/52/86/68/892528668.db2.gz LRMLMTUYDLOHJP-HOTGVXAUSA-N 3 1 323.481 1.725 20 30 DDEDMP C[NH+](C)CCNC(=S)Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001249828478 894136911 /nfs/dbraw/zinc/13/69/11/894136911.db2.gz VMRVIPXGCZPKJG-UHFFFAOYSA-N 2 1 323.491 1.456 20 30 DDEDMP C[NH+](C)CCNC(=S)Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001249828478 894136917 /nfs/dbraw/zinc/13/69/17/894136917.db2.gz VMRVIPXGCZPKJG-UHFFFAOYSA-N 2 1 323.491 1.456 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001252553240 895275514 /nfs/dbraw/zinc/27/55/14/895275514.db2.gz UYKORMKTSKAYGQ-KRWDZBQOSA-N 2 1 318.465 1.788 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001252553240 895275527 /nfs/dbraw/zinc/27/55/27/895275527.db2.gz UYKORMKTSKAYGQ-KRWDZBQOSA-N 2 1 318.465 1.788 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC001278672414 895285312 /nfs/dbraw/zinc/28/53/12/895285312.db2.gz ICVCNMGBUJWNJG-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001253154129 895669867 /nfs/dbraw/zinc/66/98/67/895669867.db2.gz ZXEIRAIPLHKOLX-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001368020408 898478366 /nfs/dbraw/zinc/47/83/66/898478366.db2.gz PUZLYHFIECOXMZ-UHFFFAOYSA-N 2 1 301.862 1.955 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001390501953 899553948 /nfs/dbraw/zinc/55/39/48/899553948.db2.gz BZVVKLVUGICGIE-CQSZACIVSA-N 2 1 302.422 1.494 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC001263094757 900496024 /nfs/dbraw/zinc/49/60/24/900496024.db2.gz REURBJFWVRHOPB-UHFFFAOYSA-N 2 1 303.406 1.569 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CCC ZINC001264006617 900869299 /nfs/dbraw/zinc/86/92/99/900869299.db2.gz DWIVRCZZCVJQMU-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001369301865 901015283 /nfs/dbraw/zinc/01/52/83/901015283.db2.gz BFMVZPHSYCSVPU-HNNXBMFYSA-N 2 1 316.449 1.835 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264375100 901061580 /nfs/dbraw/zinc/06/15/80/901061580.db2.gz UFZHGMVOMNMAGC-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264375100 901061589 /nfs/dbraw/zinc/06/15/89/901061589.db2.gz UFZHGMVOMNMAGC-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(C#N)c1 ZINC001265068790 901515407 /nfs/dbraw/zinc/51/54/07/901515407.db2.gz SPPFUEKXZMJDBP-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(C#N)c1 ZINC001265068790 901515414 /nfs/dbraw/zinc/51/54/14/901515414.db2.gz SPPFUEKXZMJDBP-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(C#N)c1 ZINC001265068790 901515419 /nfs/dbraw/zinc/51/54/19/901515419.db2.gz SPPFUEKXZMJDBP-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001265370732 901936912 /nfs/dbraw/zinc/93/69/12/901936912.db2.gz XHWUGBUDOLOXDH-YOEHRIQHSA-N 2 1 311.445 1.869 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265391141 901961202 /nfs/dbraw/zinc/96/12/02/901961202.db2.gz UNBUXHXEYWPGDF-CQSZACIVSA-N 2 1 318.421 1.153 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265391141 901961210 /nfs/dbraw/zinc/96/12/10/901961210.db2.gz UNBUXHXEYWPGDF-CQSZACIVSA-N 2 1 318.421 1.153 20 30 DDEDMP C[NH+](C)CCC(=O)NCCC[N@@H+](C)Cc1ccccc1C#N ZINC001265917449 902592658 /nfs/dbraw/zinc/59/26/58/902592658.db2.gz OZHCRMUAQLHZHF-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCOCC2)CC1 ZINC001266193052 903085413 /nfs/dbraw/zinc/08/54/13/903085413.db2.gz CXHIHJLTOWCEMR-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001266197492 903089573 /nfs/dbraw/zinc/08/95/73/903089573.db2.gz JYDBLWGLCYYKIO-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266197492 903089584 /nfs/dbraw/zinc/08/95/84/903089584.db2.gz JYDBLWGLCYYKIO-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001279328722 903224230 /nfs/dbraw/zinc/22/42/30/903224230.db2.gz KPMUFUWHFIIMBU-OFLPRAFFSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001280165361 903532992 /nfs/dbraw/zinc/53/29/92/903532992.db2.gz WNBNNTOXWYHWAT-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001371310384 904674907 /nfs/dbraw/zinc/67/49/07/904674907.db2.gz LJOLUBAHOLOQJB-CZUORRHYSA-N 2 1 300.406 1.247 20 30 DDEDMP C=CCCC[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001281405657 904802158 /nfs/dbraw/zinc/80/21/58/904802158.db2.gz APTYXXBPIULRJH-CJNGLKHVSA-N 2 1 320.437 1.753 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC#CCOC ZINC001281890293 905294931 /nfs/dbraw/zinc/29/49/31/905294931.db2.gz JOPIJRGZNUWMNT-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001281940155 905334200 /nfs/dbraw/zinc/33/42/00/905334200.db2.gz PNDCCJRULKNCNU-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001281940155 905334217 /nfs/dbraw/zinc/33/42/17/905334217.db2.gz PNDCCJRULKNCNU-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001281940155 905334231 /nfs/dbraw/zinc/33/42/31/905334231.db2.gz PNDCCJRULKNCNU-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001392952801 905786773 /nfs/dbraw/zinc/78/67/73/905786773.db2.gz GHJCOFVUOZWEOD-UHFFFAOYSA-N 2 1 318.259 1.475 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001392952801 905786776 /nfs/dbraw/zinc/78/67/76/905786776.db2.gz GHJCOFVUOZWEOD-UHFFFAOYSA-N 2 1 318.259 1.475 20 30 DDEDMP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001283457439 907382405 /nfs/dbraw/zinc/38/24/05/907382405.db2.gz SVYLGGBEOOUGHI-YESZJQIVSA-N 2 1 307.482 1.861 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001373877304 911255790 /nfs/dbraw/zinc/25/57/90/911255790.db2.gz TXIDTAVWMHLNLJ-XNRPHZJLSA-N 2 1 313.873 1.954 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)s1 ZINC001378028162 923748117 /nfs/dbraw/zinc/74/81/17/923748117.db2.gz ZGSPCCWORPKSAA-DOMZBBRYSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)s1 ZINC001378028162 923748131 /nfs/dbraw/zinc/74/81/31/923748131.db2.gz ZGSPCCWORPKSAA-DOMZBBRYSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001378028162 923748145 /nfs/dbraw/zinc/74/81/45/923748145.db2.gz ZGSPCCWORPKSAA-DOMZBBRYSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001378028162 923748156 /nfs/dbraw/zinc/74/81/56/923748156.db2.gz ZGSPCCWORPKSAA-DOMZBBRYSA-N 2 1 320.462 1.650 20 30 DDEDMP CN(CC[C@@H]1CCCC[N@@H+]1C)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330253048 529928965 /nfs/dbraw/zinc/92/89/65/529928965.db2.gz AKIYDCBPPKBFNL-GJZGRUSLSA-N 2 1 319.453 1.918 20 30 DDEDMP CN(CC[C@@H]1CCCC[N@H+]1C)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330253048 529928966 /nfs/dbraw/zinc/92/89/66/529928966.db2.gz AKIYDCBPPKBFNL-GJZGRUSLSA-N 2 1 319.453 1.918 20 30 DDEDMP C[C@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591361076 355301478 /nfs/dbraw/zinc/30/14/78/355301478.db2.gz ATMIXUJEPHSMHW-AWEZNQCLSA-N 2 1 315.421 1.123 20 30 DDEDMP COc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1C#N ZINC000592526515 355612868 /nfs/dbraw/zinc/61/28/68/355612868.db2.gz HOWZGBHMJJVMMS-UHFFFAOYSA-N 2 1 315.417 1.863 20 30 DDEDMP COc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1C#N ZINC000592526515 355612871 /nfs/dbraw/zinc/61/28/71/355612871.db2.gz HOWZGBHMJJVMMS-UHFFFAOYSA-N 2 1 315.417 1.863 20 30 DDEDMP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@@H+]1CCOC ZINC000594453224 356223683 /nfs/dbraw/zinc/22/36/83/356223683.db2.gz NMAANUMRUBCTOC-HZPDHXFCSA-N 2 1 324.469 1.357 20 30 DDEDMP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1CCOC ZINC000594453224 356223687 /nfs/dbraw/zinc/22/36/87/356223687.db2.gz NMAANUMRUBCTOC-HZPDHXFCSA-N 2 1 324.469 1.357 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000597943060 357392697 /nfs/dbraw/zinc/39/26/97/357392697.db2.gz TVCVRWVJAULXMN-MAUKXSAKSA-N 2 1 320.481 1.849 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000597943060 357392701 /nfs/dbraw/zinc/39/27/01/357392701.db2.gz TVCVRWVJAULXMN-MAUKXSAKSA-N 2 1 320.481 1.849 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)[C@H](C)C1 ZINC000599373102 357914004 /nfs/dbraw/zinc/91/40/04/357914004.db2.gz SZELRYKYSTYHGP-IKGGRYGDSA-N 2 1 323.481 1.768 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600722165 358296545 /nfs/dbraw/zinc/29/65/45/358296545.db2.gz YOWNORMMJWXHPJ-ZBFHGGJFSA-N 2 1 320.437 1.489 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1CC#N ZINC000601665906 358645053 /nfs/dbraw/zinc/64/50/53/358645053.db2.gz ZHVMNOTWXPFCHM-HNNXBMFYSA-N 2 1 316.449 1.754 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccccc1CC#N ZINC000601665906 358645058 /nfs/dbraw/zinc/64/50/58/358645058.db2.gz ZHVMNOTWXPFCHM-HNNXBMFYSA-N 2 1 316.449 1.754 20 30 DDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC1CC[NH+](C)CC1 ZINC000330362848 223105374 /nfs/dbraw/zinc/10/53/74/223105374.db2.gz ZYVBNVDPNWKZQH-UHFFFAOYSA-N 2 1 316.409 1.621 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272425492 407914484 /nfs/dbraw/zinc/91/44/84/407914484.db2.gz HATHDKSFLZMDEQ-KRWDZBQOSA-N 2 1 322.497 1.145 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(SC)s1 ZINC000275496587 408589289 /nfs/dbraw/zinc/58/92/89/408589289.db2.gz BOKKHWXXIMKWGI-SECBINFHSA-N 2 1 314.484 1.149 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000294992969 409307862 /nfs/dbraw/zinc/30/78/62/409307862.db2.gz LNGZBULGSGUJQX-CQSZACIVSA-N 2 1 323.462 1.200 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000294992969 409307865 /nfs/dbraw/zinc/30/78/65/409307865.db2.gz LNGZBULGSGUJQX-CQSZACIVSA-N 2 1 323.462 1.200 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000352877585 410683922 /nfs/dbraw/zinc/68/39/22/410683922.db2.gz JNZDQUHPNQNZNP-MRXNPFEDSA-N 2 1 308.470 1.810 20 30 DDEDMP C[N@H+]1CC[C@@]2(CCN(CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000366532246 418485697 /nfs/dbraw/zinc/48/56/97/418485697.db2.gz BWRQXICFCQFWHT-MRXNPFEDSA-N 2 1 318.446 1.976 20 30 DDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000366532246 418485701 /nfs/dbraw/zinc/48/57/01/418485701.db2.gz BWRQXICFCQFWHT-MRXNPFEDSA-N 2 1 318.446 1.976 20 30 DDEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3sccc3C#N)C2)C1 ZINC000366532246 418485705 /nfs/dbraw/zinc/48/57/05/418485705.db2.gz BWRQXICFCQFWHT-MRXNPFEDSA-N 2 1 318.446 1.976 20 30 DDEDMP CCN1CC[NH+](Cc2ccccc2CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262659711 222288829 /nfs/dbraw/zinc/28/88/29/222288829.db2.gz MOXZPXYDPMRAHG-OAHLLOKOSA-N 2 1 315.465 1.261 20 30 DDEDMP C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262843984 222297726 /nfs/dbraw/zinc/29/77/26/222297726.db2.gz YCARWBGXGASERP-JTQLQIEISA-N 2 1 312.368 1.180 20 30 DDEDMP C[NH+]=C(NCc1nccn1C(F)F)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262843984 222297728 /nfs/dbraw/zinc/29/77/28/222297728.db2.gz YCARWBGXGASERP-JTQLQIEISA-N 2 1 312.368 1.180 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264075474 222314260 /nfs/dbraw/zinc/31/42/60/222314260.db2.gz FKUPEARBLQSPHT-CYBMUJFWSA-N 2 1 304.442 1.036 20 30 DDEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000422986661 227297287 /nfs/dbraw/zinc/29/72/87/227297287.db2.gz DCMXCDUCXMAFCN-KURKYZTESA-N 2 1 315.417 1.684 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000424125472 228231302 /nfs/dbraw/zinc/23/13/02/228231302.db2.gz AAVIRTAZVRCTOL-MRXNPFEDSA-N 2 1 300.406 1.182 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000424125472 228231303 /nfs/dbraw/zinc/23/13/03/228231303.db2.gz AAVIRTAZVRCTOL-MRXNPFEDSA-N 2 1 300.406 1.182 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000491339979 421196178 /nfs/dbraw/zinc/19/61/78/421196178.db2.gz UPAOXFCCZJMUDB-HNNXBMFYSA-N 2 1 301.434 1.994 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000491339979 421196181 /nfs/dbraw/zinc/19/61/81/421196181.db2.gz UPAOXFCCZJMUDB-HNNXBMFYSA-N 2 1 301.434 1.994 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000491814986 421204275 /nfs/dbraw/zinc/20/42/75/421204275.db2.gz FAIVUAHOOAFQKE-HZPDHXFCSA-N 2 1 308.470 1.456 20 30 DDEDMP C[NH+]1CCC(N2CCC([NH2+]C[C@H](C#N)CCC#N)CC2)CC1 ZINC000568501414 421620183 /nfs/dbraw/zinc/62/01/83/421620183.db2.gz MLRNSCZVFAKAKC-HNNXBMFYSA-N 2 1 303.454 1.578 20 30 DDEDMP OC[C@@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@H]1CO ZINC000653784256 423606129 /nfs/dbraw/zinc/60/61/29/423606129.db2.gz KXDZCRYUWMPUGN-ROUUACIJSA-N 2 1 308.466 1.464 20 30 DDEDMP C#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000289221373 275387719 /nfs/dbraw/zinc/38/77/19/275387719.db2.gz JIQOXXZMQUYFLO-SFHVURJKSA-N 2 1 313.445 1.700 20 30 DDEDMP C#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000289221373 275387721 /nfs/dbraw/zinc/38/77/21/275387721.db2.gz JIQOXXZMQUYFLO-SFHVURJKSA-N 2 1 313.445 1.700 20 30 DDEDMP CCNC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)=[NH+]CC ZINC000371740911 278166647 /nfs/dbraw/zinc/16/66/47/278166647.db2.gz VYAUFHPWHKSMMM-ZFWWWQNUSA-N 2 1 306.458 1.378 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CCCC(C)(C)C1 ZINC000262806141 279329977 /nfs/dbraw/zinc/32/99/77/279329977.db2.gz SEIOSRRXYDDQDF-YOEHRIQHSA-N 2 1 310.486 1.706 20 30 DDEDMP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCC[NH2+]1 ZINC000663002314 484594091 /nfs/dbraw/zinc/59/40/91/484594091.db2.gz CZDVNOZNRZPIGN-WMZOPIPTSA-N 2 1 305.466 1.923 20 30 DDEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)COC ZINC000661243837 484995341 /nfs/dbraw/zinc/99/53/41/484995341.db2.gz OITYSUPJHMYVJJ-HNNXBMFYSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)COC ZINC000661243837 484995348 /nfs/dbraw/zinc/99/53/48/484995348.db2.gz OITYSUPJHMYVJJ-HNNXBMFYSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000337696447 526433726 /nfs/dbraw/zinc/43/37/26/526433726.db2.gz YIWAIZYVFXTSPI-HNNXBMFYSA-N 2 1 308.470 1.668 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343764188 526596208 /nfs/dbraw/zinc/59/62/08/526596208.db2.gz WQTQWNFKSWJVNS-ZBFHGGJFSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CC(C)(C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491738583 526656957 /nfs/dbraw/zinc/65/69/57/526656957.db2.gz GHYSNOJTIBWWRY-UHFFFAOYSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529813 526770782 /nfs/dbraw/zinc/77/07/82/526770782.db2.gz OAZVIKLYNBPRQT-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451529813 526770787 /nfs/dbraw/zinc/77/07/87/526770787.db2.gz OAZVIKLYNBPRQT-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529813 526770789 /nfs/dbraw/zinc/77/07/89/526770789.db2.gz OAZVIKLYNBPRQT-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451529813 526770790 /nfs/dbraw/zinc/77/07/90/526770790.db2.gz OAZVIKLYNBPRQT-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000491297259 526812958 /nfs/dbraw/zinc/81/29/58/526812958.db2.gz PMBVNJGBLJXXDT-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000490741554 526917795 /nfs/dbraw/zinc/91/77/95/526917795.db2.gz SONDPJYPMJKDTO-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972555310 695281357 /nfs/dbraw/zinc/28/13/57/695281357.db2.gz XONXVXDRFZIRKA-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972622317 695302043 /nfs/dbraw/zinc/30/20/43/695302043.db2.gz IFNDGRNVBJMFEE-MRXNPFEDSA-N 2 1 311.389 1.600 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972622317 695302045 /nfs/dbraw/zinc/30/20/45/695302045.db2.gz IFNDGRNVBJMFEE-MRXNPFEDSA-N 2 1 311.389 1.600 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974680492 695710366 /nfs/dbraw/zinc/71/03/66/695710366.db2.gz IQMRSXUVFKPCOV-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974680492 695710368 /nfs/dbraw/zinc/71/03/68/695710368.db2.gz IQMRSXUVFKPCOV-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974680492 695710370 /nfs/dbraw/zinc/71/03/70/695710370.db2.gz IQMRSXUVFKPCOV-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974681844 695710582 /nfs/dbraw/zinc/71/05/82/695710582.db2.gz MJHPMYVYGMFTHO-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974681844 695710583 /nfs/dbraw/zinc/71/05/83/695710583.db2.gz MJHPMYVYGMFTHO-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681844 695710585 /nfs/dbraw/zinc/71/05/85/695710585.db2.gz MJHPMYVYGMFTHO-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681844 695710587 /nfs/dbraw/zinc/71/05/87/695710587.db2.gz MJHPMYVYGMFTHO-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974844222 695747132 /nfs/dbraw/zinc/74/71/32/695747132.db2.gz QPEYLQGCCZKALX-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000974844222 695747134 /nfs/dbraw/zinc/74/71/34/695747134.db2.gz QPEYLQGCCZKALX-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865456 695749160 /nfs/dbraw/zinc/74/91/60/695749160.db2.gz UGMXEQJOFAXKTL-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865456 695749162 /nfs/dbraw/zinc/74/91/62/695749162.db2.gz UGMXEQJOFAXKTL-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978413077 696378667 /nfs/dbraw/zinc/37/86/67/696378667.db2.gz LKLRRQPVNDWTSK-OSYLJGHBSA-N 2 1 310.401 1.736 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980141031 696690871 /nfs/dbraw/zinc/69/08/71/696690871.db2.gz JTHCILQRMYNCTI-BBWFWOEESA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980141031 696690873 /nfs/dbraw/zinc/69/08/73/696690873.db2.gz JTHCILQRMYNCTI-BBWFWOEESA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980412582 696766070 /nfs/dbraw/zinc/76/60/70/696766070.db2.gz LAIITJKCYJOBMW-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP COCCNC(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000153555532 696917518 /nfs/dbraw/zinc/91/75/18/696917518.db2.gz YYMNRCXPFJTQRP-KRWDZBQOSA-N 2 1 304.438 1.592 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000981815991 696928020 /nfs/dbraw/zinc/92/80/20/696928020.db2.gz GEYNHLYEBCEVEK-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981815991 696928024 /nfs/dbraw/zinc/92/80/24/696928024.db2.gz GEYNHLYEBCEVEK-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981815991 696928026 /nfs/dbraw/zinc/92/80/26/696928026.db2.gz GEYNHLYEBCEVEK-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013465 697003584 /nfs/dbraw/zinc/00/35/84/697003584.db2.gz STLCKSMLMSRTHL-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013465 697003587 /nfs/dbraw/zinc/00/35/87/697003587.db2.gz STLCKSMLMSRTHL-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982013465 697003590 /nfs/dbraw/zinc/00/35/90/697003590.db2.gz STLCKSMLMSRTHL-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981168815 697024640 /nfs/dbraw/zinc/02/46/40/697024640.db2.gz JZMVXXCLWTWSKB-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981168815 697024643 /nfs/dbraw/zinc/02/46/43/697024643.db2.gz JZMVXXCLWTWSKB-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981168815 697024647 /nfs/dbraw/zinc/02/46/47/697024647.db2.gz JZMVXXCLWTWSKB-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981168815 697024650 /nfs/dbraw/zinc/02/46/50/697024650.db2.gz JZMVXXCLWTWSKB-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981447516 697099880 /nfs/dbraw/zinc/09/98/80/697099880.db2.gz XDABTQYOXQVJHS-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000748765932 700133119 /nfs/dbraw/zinc/13/31/19/700133119.db2.gz LKAVTQQSDSAWIO-KRWDZBQOSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000748765932 700133121 /nfs/dbraw/zinc/13/31/21/700133121.db2.gz LKAVTQQSDSAWIO-KRWDZBQOSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982556543 697149992 /nfs/dbraw/zinc/14/99/92/697149992.db2.gz HUSVIKWUDUTFQK-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982556543 697149993 /nfs/dbraw/zinc/14/99/93/697149993.db2.gz HUSVIKWUDUTFQK-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982556543 697149995 /nfs/dbraw/zinc/14/99/95/697149995.db2.gz HUSVIKWUDUTFQK-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982808879 697181380 /nfs/dbraw/zinc/18/13/80/697181380.db2.gz UBJXPOXEMQSYPE-HDICACEKSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985559364 697530425 /nfs/dbraw/zinc/53/04/25/697530425.db2.gz SDUSSNXIKFYABF-QGZVFWFLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000750887426 700254453 /nfs/dbraw/zinc/25/44/53/700254453.db2.gz RADIPLTXFGFEKI-AWEZNQCLSA-N 2 1 309.479 1.028 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724023837 699323734 /nfs/dbraw/zinc/32/37/34/699323734.db2.gz OZMLNPUMYFVLRX-JTQLQIEISA-N 2 1 302.287 1.480 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724023837 699323737 /nfs/dbraw/zinc/32/37/37/699323737.db2.gz OZMLNPUMYFVLRX-JTQLQIEISA-N 2 1 302.287 1.480 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(C#N)c(F)c2)C1 ZINC000790511092 699464554 /nfs/dbraw/zinc/46/45/54/699464554.db2.gz UYMSOCZLQGDNPY-HNNXBMFYSA-N 2 1 320.368 1.805 20 30 DDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(C#N)c(F)c2)C1 ZINC000790511092 699464555 /nfs/dbraw/zinc/46/45/55/699464555.db2.gz UYMSOCZLQGDNPY-HNNXBMFYSA-N 2 1 320.368 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000732134233 699547477 /nfs/dbraw/zinc/54/74/77/699547477.db2.gz RZYQAQYRAJMZGZ-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000732134233 699547479 /nfs/dbraw/zinc/54/74/79/699547479.db2.gz RZYQAQYRAJMZGZ-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000732134233 699547481 /nfs/dbraw/zinc/54/74/81/699547481.db2.gz RZYQAQYRAJMZGZ-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000732134233 699547483 /nfs/dbraw/zinc/54/74/83/699547483.db2.gz RZYQAQYRAJMZGZ-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000820086446 704219101 /nfs/dbraw/zinc/21/91/01/704219101.db2.gz DLAKXWFPLKJEIJ-DLBZAZTESA-N 2 1 322.497 1.703 20 30 DDEDMP C#CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000820086446 704219103 /nfs/dbraw/zinc/21/91/03/704219103.db2.gz DLAKXWFPLKJEIJ-DLBZAZTESA-N 2 1 322.497 1.703 20 30 DDEDMP C=CC[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000853536066 704262590 /nfs/dbraw/zinc/26/25/90/704262590.db2.gz KMXBGYYNDDBHMI-AWEZNQCLSA-N 2 1 320.437 1.248 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000861838574 705582351 /nfs/dbraw/zinc/58/23/51/705582351.db2.gz IXFIKHYRXAADDP-ZWKOTPCHSA-N 2 1 313.445 1.403 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000861838574 705582354 /nfs/dbraw/zinc/58/23/54/705582354.db2.gz IXFIKHYRXAADDP-ZWKOTPCHSA-N 2 1 313.445 1.403 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000861838574 705582357 /nfs/dbraw/zinc/58/23/57/705582357.db2.gz IXFIKHYRXAADDP-ZWKOTPCHSA-N 2 1 313.445 1.403 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000884141740 708157793 /nfs/dbraw/zinc/15/77/93/708157793.db2.gz HIUAEFIZMZYBAW-ULQDDVLXSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)C1 ZINC000884141740 708157796 /nfs/dbraw/zinc/15/77/96/708157796.db2.gz HIUAEFIZMZYBAW-ULQDDVLXSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000884141740 708157798 /nfs/dbraw/zinc/15/77/98/708157798.db2.gz HIUAEFIZMZYBAW-ULQDDVLXSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000884141740 708157801 /nfs/dbraw/zinc/15/78/01/708157801.db2.gz HIUAEFIZMZYBAW-ULQDDVLXSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000884298573 708231865 /nfs/dbraw/zinc/23/18/65/708231865.db2.gz WIXRUOVDWRLIEG-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000884298573 708231867 /nfs/dbraw/zinc/23/18/67/708231867.db2.gz WIXRUOVDWRLIEG-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000884298573 708231870 /nfs/dbraw/zinc/23/18/70/708231870.db2.gz WIXRUOVDWRLIEG-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000884298573 708231873 /nfs/dbraw/zinc/23/18/73/708231873.db2.gz WIXRUOVDWRLIEG-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000890377249 709847542 /nfs/dbraw/zinc/84/75/42/709847542.db2.gz SPMZKAQSVPMMJD-KRWDZBQOSA-N 2 1 320.481 1.696 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000890377249 709847546 /nfs/dbraw/zinc/84/75/46/709847546.db2.gz SPMZKAQSVPMMJD-KRWDZBQOSA-N 2 1 320.481 1.696 20 30 DDEDMP N#Cc1cnccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903506583 711157406 /nfs/dbraw/zinc/15/74/06/711157406.db2.gz BJLOOIWPDZYDFU-HDICACEKSA-N 2 1 311.433 1.354 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000913517573 713243024 /nfs/dbraw/zinc/24/30/24/713243024.db2.gz HBSHPIXMOSVVRZ-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000914150505 713348780 /nfs/dbraw/zinc/34/87/80/713348780.db2.gz VUSGRDDPAXHVDO-DOTOQJQBSA-N 2 1 318.465 1.352 20 30 DDEDMP CN(C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1(C#N)CCCCC1 ZINC000931431641 714095283 /nfs/dbraw/zinc/09/52/83/714095283.db2.gz DSBCSBZOWMNYKA-JKSUJKDBSA-N 2 1 318.465 1.555 20 30 DDEDMP CN(C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1(C#N)CCCCC1 ZINC000931431641 714095284 /nfs/dbraw/zinc/09/52/84/714095284.db2.gz DSBCSBZOWMNYKA-JKSUJKDBSA-N 2 1 318.465 1.555 20 30 DDEDMP CN(C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)C1(C#N)CCCCC1 ZINC000931431641 714095286 /nfs/dbraw/zinc/09/52/86/714095286.db2.gz DSBCSBZOWMNYKA-JKSUJKDBSA-N 2 1 318.465 1.555 20 30 DDEDMP CN(C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)C1(C#N)CCCCC1 ZINC000931431641 714095288 /nfs/dbraw/zinc/09/52/88/714095288.db2.gz DSBCSBZOWMNYKA-JKSUJKDBSA-N 2 1 318.465 1.555 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000960303279 716485814 /nfs/dbraw/zinc/48/58/14/716485814.db2.gz GOOBEKRDLJWMGZ-LSBZLQRGSA-N 2 1 311.429 1.333 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202203 716860285 /nfs/dbraw/zinc/86/02/85/716860285.db2.gz UHMRWHBVXYWNFY-IAGOWNOFSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202203 716860289 /nfs/dbraw/zinc/86/02/89/716860289.db2.gz UHMRWHBVXYWNFY-IAGOWNOFSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961267335 716888150 /nfs/dbraw/zinc/88/81/50/716888150.db2.gz HKYGTKNBLNCYAP-HOTGVXAUSA-N 2 1 314.433 1.156 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961342295 716917378 /nfs/dbraw/zinc/91/73/78/716917378.db2.gz LLKDJISMSKLSDE-HZMVEIRTSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166287 717119775 /nfs/dbraw/zinc/11/97/75/717119775.db2.gz FIBWDSKYEVZRLA-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942171483 717521758 /nfs/dbraw/zinc/52/17/58/717521758.db2.gz AGWRXRHYSSXWLA-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000962765974 717579749 /nfs/dbraw/zinc/57/97/49/717579749.db2.gz RRSMGACVSRJMCI-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962765974 717579756 /nfs/dbraw/zinc/57/97/56/717579756.db2.gz RRSMGACVSRJMCI-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962765974 717579762 /nfs/dbraw/zinc/57/97/62/717579762.db2.gz RRSMGACVSRJMCI-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000965424676 717646792 /nfs/dbraw/zinc/64/67/92/717646792.db2.gz OFZXUFKBROZGON-UOAXPGHYSA-N 2 1 315.461 1.654 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944170047 718265286 /nfs/dbraw/zinc/26/52/86/718265286.db2.gz RYMRQUJMGYQZLU-ZBFHGGJFSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944170047 718265287 /nfs/dbraw/zinc/26/52/87/718265287.db2.gz RYMRQUJMGYQZLU-ZBFHGGJFSA-N 2 1 314.433 1.611 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517176 718814174 /nfs/dbraw/zinc/81/41/74/718814174.db2.gz AMWHLUDNCFQHPN-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517176 718814179 /nfs/dbraw/zinc/81/41/79/718814179.db2.gz AMWHLUDNCFQHPN-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517176 718814181 /nfs/dbraw/zinc/81/41/81/718814181.db2.gz AMWHLUDNCFQHPN-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633061 718859991 /nfs/dbraw/zinc/85/99/91/718859991.db2.gz FVBVXKQOJKTWJG-BBWFWOEESA-N 2 1 305.466 1.376 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758577 718899401 /nfs/dbraw/zinc/89/94/01/718899401.db2.gz NVDUSPHUCDGOKB-CALCHBBNSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437287 719163287 /nfs/dbraw/zinc/16/32/87/719163287.db2.gz QHLYAPCJZFLRIU-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947776630 719267088 /nfs/dbraw/zinc/26/70/88/719267088.db2.gz XJNPVADHHZDRSB-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000948056806 719344838 /nfs/dbraw/zinc/34/48/38/719344838.db2.gz MIPILVPASZLWEO-CRAIPNDOSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C)[C@@H](C)C2)CC1 ZINC000948070593 719349921 /nfs/dbraw/zinc/34/99/21/719349921.db2.gz RFMMPFHVIFDFRM-DOTOQJQBSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000948449101 719504152 /nfs/dbraw/zinc/50/41/52/719504152.db2.gz NRNMYIZSBMZVHS-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](C(C)C)CC1 ZINC000948449101 719504155 /nfs/dbraw/zinc/50/41/55/719504155.db2.gz NRNMYIZSBMZVHS-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000948449101 719504157 /nfs/dbraw/zinc/50/41/57/719504157.db2.gz NRNMYIZSBMZVHS-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](C(C)C)CC1 ZINC000948449101 719504160 /nfs/dbraw/zinc/50/41/60/719504160.db2.gz NRNMYIZSBMZVHS-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC=C)CC1 ZINC000948449460 719505484 /nfs/dbraw/zinc/50/54/84/719505484.db2.gz RESDOEOCVMGCPY-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC=C)CC1 ZINC000948449460 719505487 /nfs/dbraw/zinc/50/54/87/719505487.db2.gz RESDOEOCVMGCPY-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC=C)CC1 ZINC000948449460 719505490 /nfs/dbraw/zinc/50/54/90/719505490.db2.gz RESDOEOCVMGCPY-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC=C)CC1 ZINC000948449460 719505491 /nfs/dbraw/zinc/50/54/91/719505491.db2.gz RESDOEOCVMGCPY-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968675087 719729744 /nfs/dbraw/zinc/72/97/44/719729744.db2.gz XFZOIIHGZNTBHE-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968675087 719729749 /nfs/dbraw/zinc/72/97/49/719729749.db2.gz XFZOIIHGZNTBHE-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856717 719826877 /nfs/dbraw/zinc/82/68/77/719826877.db2.gz NJXOOIRVGPJKBM-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC000969154160 719980368 /nfs/dbraw/zinc/98/03/68/719980368.db2.gz YWJLLXBTYZCYRW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969154160 719980370 /nfs/dbraw/zinc/98/03/70/719980370.db2.gz YWJLLXBTYZCYRW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969154160 719980374 /nfs/dbraw/zinc/98/03/74/719980374.db2.gz YWJLLXBTYZCYRW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969154160 719980378 /nfs/dbraw/zinc/98/03/78/719980378.db2.gz YWJLLXBTYZCYRW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969154160 719980381 /nfs/dbraw/zinc/98/03/81/719980381.db2.gz YWJLLXBTYZCYRW-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969836911 720526899 /nfs/dbraw/zinc/52/68/99/720526899.db2.gz OXKHGFTYNBDYGM-DZGCQCFKSA-N 2 1 302.422 1.773 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000969964135 720578665 /nfs/dbraw/zinc/57/86/65/720578665.db2.gz CUULUNSLDYSDHX-CQSZACIVSA-N 2 1 318.421 1.651 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550338 735305472 /nfs/dbraw/zinc/30/54/72/735305472.db2.gz ZEUYLNQTAOBXCQ-ZWKOTPCHSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023550338 735305475 /nfs/dbraw/zinc/30/54/75/735305475.db2.gz ZEUYLNQTAOBXCQ-ZWKOTPCHSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023550338 735305480 /nfs/dbraw/zinc/30/54/80/735305480.db2.gz ZEUYLNQTAOBXCQ-ZWKOTPCHSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588222 735326739 /nfs/dbraw/zinc/32/67/39/735326739.db2.gz TXGVFFKMQFFTCP-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588222 735326743 /nfs/dbraw/zinc/32/67/43/735326743.db2.gz TXGVFFKMQFFTCP-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718303 733482331 /nfs/dbraw/zinc/48/23/31/733482331.db2.gz WPMAXRBBANVPJT-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737516 733498024 /nfs/dbraw/zinc/49/80/24/733498024.db2.gz VBGJWYIFAABSHT-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737516 733498029 /nfs/dbraw/zinc/49/80/29/733498029.db2.gz VBGJWYIFAABSHT-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114989590 734526322 /nfs/dbraw/zinc/52/63/22/734526322.db2.gz SZMKEWQJJJFBDG-HZMVEIRTSA-N 2 1 305.466 1.423 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001022610255 734635983 /nfs/dbraw/zinc/63/59/83/734635983.db2.gz KYUNWXFHPVUYMN-KFWWJZLASA-N 2 1 302.422 1.567 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001022714075 734723607 /nfs/dbraw/zinc/72/36/07/734723607.db2.gz QDDBKOYDFZGGOW-MELADBBJSA-N 2 1 322.840 1.743 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166202 734917173 /nfs/dbraw/zinc/91/71/73/734917173.db2.gz IVWNKSYUQJYCFW-NUEKZKHPSA-N 2 1 320.437 1.362 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](OC)C1 ZINC001213166202 734917176 /nfs/dbraw/zinc/91/71/76/734917176.db2.gz IVWNKSYUQJYCFW-NUEKZKHPSA-N 2 1 320.437 1.362 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001023091057 735036177 /nfs/dbraw/zinc/03/61/77/735036177.db2.gz HMZRMFNJVRUYPM-CALCHBBNSA-N 2 1 323.400 1.500 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001023397210 735209545 /nfs/dbraw/zinc/20/95/45/735209545.db2.gz ZXBCXBJBZKUIQN-CQSZACIVSA-N 2 1 319.474 1.885 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450980 735242924 /nfs/dbraw/zinc/24/29/24/735242924.db2.gz LCXNFIRMJGQDOA-QGZVFWFLSA-N 2 1 317.477 1.714 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023456078 735250596 /nfs/dbraw/zinc/25/05/96/735250596.db2.gz WFWGZIBBQNMQJV-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456078 735250600 /nfs/dbraw/zinc/25/06/00/735250600.db2.gz WFWGZIBBQNMQJV-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972741464 735590795 /nfs/dbraw/zinc/59/07/95/735590795.db2.gz BZEXGPUSABLYIA-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253534 739237058 /nfs/dbraw/zinc/23/70/58/739237058.db2.gz CQBXLTZOOVVKMJ-KRWDZBQOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001024617609 735985404 /nfs/dbraw/zinc/98/54/04/735985404.db2.gz KOJQJUSRRWNXKX-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024617609 735985406 /nfs/dbraw/zinc/98/54/06/735985406.db2.gz KOJQJUSRRWNXKX-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024617609 735985410 /nfs/dbraw/zinc/98/54/10/735985410.db2.gz KOJQJUSRRWNXKX-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024810033 736103122 /nfs/dbraw/zinc/10/31/22/736103122.db2.gz ZRUUSRYKCPKYGD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024810033 736103124 /nfs/dbraw/zinc/10/31/24/736103124.db2.gz ZRUUSRYKCPKYGD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024810033 736103126 /nfs/dbraw/zinc/10/31/26/736103126.db2.gz ZRUUSRYKCPKYGD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024810033 736103130 /nfs/dbraw/zinc/10/31/30/736103130.db2.gz ZRUUSRYKCPKYGD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104680722 736512339 /nfs/dbraw/zinc/51/23/39/736512339.db2.gz VYWOTLHCQUAGEQ-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520114 736738316 /nfs/dbraw/zinc/73/83/16/736738316.db2.gz AUXNYGFZCKCDES-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083283976 736777673 /nfs/dbraw/zinc/77/76/73/736777673.db2.gz GGGLVSWWPYUMIB-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598739 736778416 /nfs/dbraw/zinc/77/84/16/736778416.db2.gz BMQRKBFESLLEGK-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001032581490 751389720 /nfs/dbraw/zinc/38/97/20/751389720.db2.gz VQFGSGZESRYTNW-ULQDDVLXSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001032581490 751389726 /nfs/dbraw/zinc/38/97/26/751389726.db2.gz VQFGSGZESRYTNW-ULQDDVLXSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010408 737456191 /nfs/dbraw/zinc/45/61/91/737456191.db2.gz KXYNKETTYVLFJZ-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(C)C)CC1 ZINC001026508672 737626428 /nfs/dbraw/zinc/62/64/28/737626428.db2.gz DVDBAWNYHJNOQH-JCYILVPMSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(C)C)CC1 ZINC001026508672 737626431 /nfs/dbraw/zinc/62/64/31/737626431.db2.gz DVDBAWNYHJNOQH-JCYILVPMSA-N 2 1 305.466 1.757 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001027979617 738901431 /nfs/dbraw/zinc/90/14/31/738901431.db2.gz FNPYEFGYSBMUQI-HUUCEWRRSA-N 2 1 316.449 1.980 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105109 739040303 /nfs/dbraw/zinc/04/03/03/739040303.db2.gz OIOSTIHQGNMJMR-HNNXBMFYSA-N 2 1 303.406 1.559 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001028105109 739040308 /nfs/dbraw/zinc/04/03/08/739040308.db2.gz OIOSTIHQGNMJMR-HNNXBMFYSA-N 2 1 303.406 1.559 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001028641867 739838482 /nfs/dbraw/zinc/83/84/82/739838482.db2.gz MLTKQTIEBBYRIQ-JKSUJKDBSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001035478291 751533285 /nfs/dbraw/zinc/53/32/85/751533285.db2.gz MVSAWLMCTMPNTJ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001035478291 751533289 /nfs/dbraw/zinc/53/32/89/751533289.db2.gz MVSAWLMCTMPNTJ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035478291 751533291 /nfs/dbraw/zinc/53/32/91/751533291.db2.gz MVSAWLMCTMPNTJ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001035478291 751533294 /nfs/dbraw/zinc/53/32/94/751533294.db2.gz MVSAWLMCTMPNTJ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029108907 740357078 /nfs/dbraw/zinc/35/70/78/740357078.db2.gz VCOPOUINAWHGKU-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC2CC2)CC1 ZINC001029108907 740357081 /nfs/dbraw/zinc/35/70/81/740357081.db2.gz VCOPOUINAWHGKU-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088052647 740971650 /nfs/dbraw/zinc/97/16/50/740971650.db2.gz BESDAPKXFUQVSF-FGTMMUONSA-N 2 1 317.477 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150780 741065343 /nfs/dbraw/zinc/06/53/43/741065343.db2.gz VSHPYQHRQOKMIH-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112196590 741456406 /nfs/dbraw/zinc/45/64/06/741456406.db2.gz SQQHBSKWPKQEPZ-CHWSQXEVSA-N 2 1 319.371 1.330 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620913 742017230 /nfs/dbraw/zinc/01/72/30/742017230.db2.gz HHGSTQPFMWZSTK-ILXRZTDVSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620913 742017234 /nfs/dbraw/zinc/01/72/34/742017234.db2.gz HHGSTQPFMWZSTK-ILXRZTDVSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCc3[nH+]ccn31)CC2 ZINC001035721010 751809085 /nfs/dbraw/zinc/80/90/85/751809085.db2.gz QCJXLBGBSZCERG-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101172050 743694863 /nfs/dbraw/zinc/69/48/63/743694863.db2.gz USHWZPTYFHVEJZ-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101172050 743694866 /nfs/dbraw/zinc/69/48/66/743694866.db2.gz USHWZPTYFHVEJZ-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101172050 743694869 /nfs/dbraw/zinc/69/48/69/743694869.db2.gz USHWZPTYFHVEJZ-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183464949 743842863 /nfs/dbraw/zinc/84/28/63/743842863.db2.gz IOZFCPGAYUHRBQ-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183464949 743842867 /nfs/dbraw/zinc/84/28/67/743842867.db2.gz IOZFCPGAYUHRBQ-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC(C)(C)C1)CC2 ZINC001035797861 751885126 /nfs/dbraw/zinc/88/51/26/751885126.db2.gz IZITZKXWILIIER-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001185089944 744151859 /nfs/dbraw/zinc/15/18/59/744151859.db2.gz GAYZWPYZVAVCLB-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)[C@@H]2C)CC1 ZINC001089059502 744479274 /nfs/dbraw/zinc/47/92/74/744479274.db2.gz ORFGMMJVPBMIHE-NUJGCVRESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992145830 744634004 /nfs/dbraw/zinc/63/40/04/744634004.db2.gz RARNUURDZVPOMG-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992355733 744818448 /nfs/dbraw/zinc/81/84/48/744818448.db2.gz BAKHOXHVLPZGRE-FUHWJXTLSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992355733 744818449 /nfs/dbraw/zinc/81/84/49/744818449.db2.gz BAKHOXHVLPZGRE-FUHWJXTLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221850 745143167 /nfs/dbraw/zinc/14/31/67/745143167.db2.gz QOZFBQQLDLEXRF-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106250220 745462089 /nfs/dbraw/zinc/46/20/89/745462089.db2.gz YECGSMJXEBQYBV-RBSFLKMASA-N 2 1 300.406 1.078 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239540 745836068 /nfs/dbraw/zinc/83/60/68/745836068.db2.gz GPBNIHRYNXQQAF-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099239540 745836074 /nfs/dbraw/zinc/83/60/74/745836074.db2.gz GPBNIHRYNXQQAF-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099239540 745836081 /nfs/dbraw/zinc/83/60/81/745836081.db2.gz GPBNIHRYNXQQAF-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641384 745854562 /nfs/dbraw/zinc/85/45/62/745854562.db2.gz KSRRBCRVJFVWOK-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641384 745854568 /nfs/dbraw/zinc/85/45/68/745854568.db2.gz KSRRBCRVJFVWOK-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2ccnc2C)C1 ZINC001192858601 745918583 /nfs/dbraw/zinc/91/85/83/745918583.db2.gz QZUNDQOPSWLMCF-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192858601 745918585 /nfs/dbraw/zinc/91/85/85/745918585.db2.gz QZUNDQOPSWLMCF-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424062 746104618 /nfs/dbraw/zinc/10/46/18/746104618.db2.gz ITVDDBRHCBCNBN-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424062 746104621 /nfs/dbraw/zinc/10/46/21/746104621.db2.gz ITVDDBRHCBCNBN-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424062 746104624 /nfs/dbraw/zinc/10/46/24/746104624.db2.gz ITVDDBRHCBCNBN-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046927019 746505308 /nfs/dbraw/zinc/50/53/08/746505308.db2.gz WXQSXGLQJAFOQG-QWHCGFSZSA-N 2 1 301.381 1.340 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046927019 746505310 /nfs/dbraw/zinc/50/53/10/746505310.db2.gz WXQSXGLQJAFOQG-QWHCGFSZSA-N 2 1 301.381 1.340 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046927019 746505312 /nfs/dbraw/zinc/50/53/12/746505312.db2.gz WXQSXGLQJAFOQG-QWHCGFSZSA-N 2 1 301.381 1.340 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492736 747102992 /nfs/dbraw/zinc/10/29/92/747102992.db2.gz NJXLWOACQOLDLE-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492736 747102993 /nfs/dbraw/zinc/10/29/93/747102993.db2.gz NJXLWOACQOLDLE-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)CC(C)(C)C1 ZINC001089492736 747102995 /nfs/dbraw/zinc/10/29/95/747102995.db2.gz NJXLWOACQOLDLE-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)CC[N@@H+](C)CC)c1ccccc1OC ZINC001198953664 747659727 /nfs/dbraw/zinc/65/97/27/747659727.db2.gz SKVPYDXHJCDZKV-MRXNPFEDSA-N 2 1 317.433 1.417 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)CC[N@H+](C)CC)c1ccccc1OC ZINC001198953664 747659731 /nfs/dbraw/zinc/65/97/31/747659731.db2.gz SKVPYDXHJCDZKV-MRXNPFEDSA-N 2 1 317.433 1.417 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577651 748283425 /nfs/dbraw/zinc/28/34/25/748283425.db2.gz CJUUGJRNYUWSPI-WBVHZDCISA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658518 748317555 /nfs/dbraw/zinc/31/75/55/748317555.db2.gz PDIXXCZQECZIPX-JKSUJKDBSA-N 2 1 307.438 1.006 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001124872868 748578146 /nfs/dbraw/zinc/57/81/46/748578146.db2.gz OGXMSPNJLDTQEU-INIZCTEOSA-N 2 1 319.836 1.492 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151123 748618236 /nfs/dbraw/zinc/61/82/36/748618236.db2.gz IJEZBNDPMUWALI-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033151123 748618239 /nfs/dbraw/zinc/61/82/39/748618239.db2.gz IJEZBNDPMUWALI-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033151123 748618244 /nfs/dbraw/zinc/61/82/44/748618244.db2.gz IJEZBNDPMUWALI-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009535 748668316 /nfs/dbraw/zinc/66/83/16/748668316.db2.gz UPEYXQNUCHKYLE-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009535 748668319 /nfs/dbraw/zinc/66/83/19/748668319.db2.gz UPEYXQNUCHKYLE-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001033163029 748689937 /nfs/dbraw/zinc/68/99/37/748689937.db2.gz XKBPFYQNKCTBQA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(=C)C)C1 ZINC001033163029 748689944 /nfs/dbraw/zinc/68/99/44/748689944.db2.gz XKBPFYQNKCTBQA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001033163029 748689948 /nfs/dbraw/zinc/68/99/48/748689948.db2.gz XKBPFYQNKCTBQA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(=C)C)C1 ZINC001033163029 748689954 /nfs/dbraw/zinc/68/99/54/748689954.db2.gz XKBPFYQNKCTBQA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(=C)C)C1 ZINC001033163029 748689960 /nfs/dbraw/zinc/68/99/60/748689960.db2.gz XKBPFYQNKCTBQA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148133 748697416 /nfs/dbraw/zinc/69/74/16/748697416.db2.gz QARITJZWZXCIIF-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001114368269 749116064 /nfs/dbraw/zinc/11/60/64/749116064.db2.gz IVGGVUYUPJXBIU-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114368269 749116067 /nfs/dbraw/zinc/11/60/67/749116067.db2.gz IVGGVUYUPJXBIU-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114368269 749116070 /nfs/dbraw/zinc/11/60/70/749116070.db2.gz IVGGVUYUPJXBIU-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357430 749262003 /nfs/dbraw/zinc/26/20/03/749262003.db2.gz FSZWOWQVYKSOBO-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357430 749262006 /nfs/dbraw/zinc/26/20/06/749262006.db2.gz FSZWOWQVYKSOBO-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357430 749262008 /nfs/dbraw/zinc/26/20/08/749262008.db2.gz FSZWOWQVYKSOBO-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357430 749262010 /nfs/dbraw/zinc/26/20/10/749262010.db2.gz FSZWOWQVYKSOBO-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357429 749262229 /nfs/dbraw/zinc/26/22/29/749262229.db2.gz FSZWOWQVYKSOBO-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357429 749262235 /nfs/dbraw/zinc/26/22/35/749262235.db2.gz FSZWOWQVYKSOBO-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357429 749262239 /nfs/dbraw/zinc/26/22/39/749262239.db2.gz FSZWOWQVYKSOBO-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357429 749262241 /nfs/dbraw/zinc/26/22/41/749262241.db2.gz FSZWOWQVYKSOBO-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995914745 749296135 /nfs/dbraw/zinc/29/61/35/749296135.db2.gz FUBJRFLEZRGTKM-KBPBESRZSA-N 2 1 300.406 1.220 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415416 749313453 /nfs/dbraw/zinc/31/34/53/749313453.db2.gz IHEKXLZBWQXEQI-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415416 749313454 /nfs/dbraw/zinc/31/34/54/749313454.db2.gz IHEKXLZBWQXEQI-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415416 749313455 /nfs/dbraw/zinc/31/34/55/749313455.db2.gz IHEKXLZBWQXEQI-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415416 749313456 /nfs/dbraw/zinc/31/34/56/749313456.db2.gz IHEKXLZBWQXEQI-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202714617 749513412 /nfs/dbraw/zinc/51/34/12/749513412.db2.gz HZRGZPOLFFERSX-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108342904 761958874 /nfs/dbraw/zinc/95/88/74/761958874.db2.gz KLLNACKFXDIAJG-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108342904 761958881 /nfs/dbraw/zinc/95/88/81/761958881.db2.gz KLLNACKFXDIAJG-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108342904 761958887 /nfs/dbraw/zinc/95/88/87/761958887.db2.gz KLLNACKFXDIAJG-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108342904 761958891 /nfs/dbraw/zinc/95/88/91/761958891.db2.gz KLLNACKFXDIAJG-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033677404 749704364 /nfs/dbraw/zinc/70/43/64/749704364.db2.gz BCCJWPNGQAXCFK-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033677404 749704365 /nfs/dbraw/zinc/70/43/65/749704365.db2.gz BCCJWPNGQAXCFK-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033677404 749704370 /nfs/dbraw/zinc/70/43/70/749704370.db2.gz BCCJWPNGQAXCFK-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033677404 749704374 /nfs/dbraw/zinc/70/43/74/749704374.db2.gz BCCJWPNGQAXCFK-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC(=C)C)C2)CC1 ZINC001033689379 749728444 /nfs/dbraw/zinc/72/84/44/749728444.db2.gz XYDQOURRFYGDLW-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001128773825 750085586 /nfs/dbraw/zinc/08/55/86/750085586.db2.gz FQGCYRFMLYEQCU-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095667942 750127402 /nfs/dbraw/zinc/12/74/02/750127402.db2.gz DVKUDLQXPUJOIU-LTIDMASMSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095667942 750127405 /nfs/dbraw/zinc/12/74/05/750127405.db2.gz DVKUDLQXPUJOIU-LTIDMASMSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095667942 750127409 /nfs/dbraw/zinc/12/74/09/750127409.db2.gz DVKUDLQXPUJOIU-LTIDMASMSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095667942 750127412 /nfs/dbraw/zinc/12/74/12/750127412.db2.gz DVKUDLQXPUJOIU-LTIDMASMSA-N 2 1 303.450 1.462 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939642 750186167 /nfs/dbraw/zinc/18/61/67/750186167.db2.gz IWDHSNHHUUSGRZ-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939642 750186170 /nfs/dbraw/zinc/18/61/70/750186170.db2.gz IWDHSNHHUUSGRZ-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107617687 750250289 /nfs/dbraw/zinc/25/02/89/750250289.db2.gz NVZUFPLKIHGJCA-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107617687 750250295 /nfs/dbraw/zinc/25/02/95/750250295.db2.gz NVZUFPLKIHGJCA-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107617687 750250302 /nfs/dbraw/zinc/25/03/02/750250302.db2.gz NVZUFPLKIHGJCA-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111017686 750307015 /nfs/dbraw/zinc/30/70/15/750307015.db2.gz DIMOZQSCUDYMMJ-NCOADZHNSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115298 750379561 /nfs/dbraw/zinc/37/95/61/750379561.db2.gz MSJDEVNWLZWWRT-GOSISDBHSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115298 750379569 /nfs/dbraw/zinc/37/95/69/750379569.db2.gz MSJDEVNWLZWWRT-GOSISDBHSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108395937 762041530 /nfs/dbraw/zinc/04/15/30/762041530.db2.gz XLRKUODLGQFWJB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395937 762041543 /nfs/dbraw/zinc/04/15/43/762041543.db2.gz XLRKUODLGQFWJB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108395937 762041555 /nfs/dbraw/zinc/04/15/55/762041555.db2.gz XLRKUODLGQFWJB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538850 750542397 /nfs/dbraw/zinc/54/23/97/750542397.db2.gz SKYXQLLVDFYVQX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538850 750542398 /nfs/dbraw/zinc/54/23/98/750542398.db2.gz SKYXQLLVDFYVQX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538850 750542399 /nfs/dbraw/zinc/54/23/99/750542399.db2.gz SKYXQLLVDFYVQX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077777353 750617398 /nfs/dbraw/zinc/61/73/98/750617398.db2.gz ITILVNNYBUFACI-IXDOHACOSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777353 750617402 /nfs/dbraw/zinc/61/74/02/750617402.db2.gz ITILVNNYBUFACI-IXDOHACOSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777353 750617405 /nfs/dbraw/zinc/61/74/05/750617405.db2.gz ITILVNNYBUFACI-IXDOHACOSA-N 2 1 323.481 1.377 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001034674094 750672985 /nfs/dbraw/zinc/67/29/85/750672985.db2.gz DIVRWSPZUVJQKE-LUKYLMHMSA-N 2 1 303.450 1.654 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001108421477 762137441 /nfs/dbraw/zinc/13/74/41/762137441.db2.gz MODYRWRYDFEQDA-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421477 762137443 /nfs/dbraw/zinc/13/74/43/762137443.db2.gz MODYRWRYDFEQDA-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421477 762137446 /nfs/dbraw/zinc/13/74/46/762137446.db2.gz MODYRWRYDFEQDA-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421477 762137448 /nfs/dbraw/zinc/13/74/48/762137448.db2.gz MODYRWRYDFEQDA-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008536061 752789200 /nfs/dbraw/zinc/78/92/00/752789200.db2.gz WDJGVORQLUQRNE-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008536061 752789201 /nfs/dbraw/zinc/78/92/01/752789201.db2.gz WDJGVORQLUQRNE-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999498458 752952776 /nfs/dbraw/zinc/95/27/76/752952776.db2.gz VHFUKQKYVGADPE-HZSPNIEDSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090263326 753244346 /nfs/dbraw/zinc/24/43/46/753244346.db2.gz WFMGGOSIVPXZFY-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136930 762403735 /nfs/dbraw/zinc/40/37/35/762403735.db2.gz KSRUNWVIFOCSLI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136930 762403737 /nfs/dbraw/zinc/40/37/37/762403737.db2.gz KSRUNWVIFOCSLI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136930 762403739 /nfs/dbraw/zinc/40/37/39/762403739.db2.gz KSRUNWVIFOCSLI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136930 762403740 /nfs/dbraw/zinc/40/37/40/762403740.db2.gz KSRUNWVIFOCSLI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795379 756109195 /nfs/dbraw/zinc/10/91/95/756109195.db2.gz PBHTURFKNGLBDU-UKRRQHHQSA-N 2 1 300.406 1.221 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795379 756109199 /nfs/dbraw/zinc/10/91/99/756109199.db2.gz PBHTURFKNGLBDU-UKRRQHHQSA-N 2 1 300.406 1.221 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169464594 762451263 /nfs/dbraw/zinc/45/12/63/762451263.db2.gz QWGSPIMVCIRVSK-UHFFFAOYSA-N 2 1 313.405 1.943 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241724 762455062 /nfs/dbraw/zinc/45/50/62/762455062.db2.gz RXFRDLNVYKTJCT-FUHWJXTLSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559958 756853199 /nfs/dbraw/zinc/85/31/99/756853199.db2.gz USHMFXXEGNELDL-DJIMGWMZSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016688671 757269473 /nfs/dbraw/zinc/26/94/73/757269473.db2.gz ULNFQXKOBMTGAJ-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701343 757791620 /nfs/dbraw/zinc/79/16/20/757791620.db2.gz ZAGQYHYKAFKWGE-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852524 757982666 /nfs/dbraw/zinc/98/26/66/757982666.db2.gz CQDPODHNILQFJA-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852524 757982672 /nfs/dbraw/zinc/98/26/72/757982672.db2.gz CQDPODHNILQFJA-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852524 757982676 /nfs/dbraw/zinc/98/26/76/757982676.db2.gz CQDPODHNILQFJA-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698429 758707311 /nfs/dbraw/zinc/70/73/11/758707311.db2.gz LCKMXGJWAPIDJA-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001246235 762693295 /nfs/dbraw/zinc/69/32/95/762693295.db2.gz UCKABSMMTHNQKS-IAGOWNOFSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001246235 762693298 /nfs/dbraw/zinc/69/32/98/762693298.db2.gz UCKABSMMTHNQKS-IAGOWNOFSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001246235 762693299 /nfs/dbraw/zinc/69/32/99/762693299.db2.gz UCKABSMMTHNQKS-IAGOWNOFSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153806 759235548 /nfs/dbraw/zinc/23/55/48/759235548.db2.gz ZZDILIFGUMHPAQ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153806 759235552 /nfs/dbraw/zinc/23/55/52/759235552.db2.gz ZZDILIFGUMHPAQ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153806 759235554 /nfs/dbraw/zinc/23/55/54/759235554.db2.gz ZZDILIFGUMHPAQ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054240055 759331435 /nfs/dbraw/zinc/33/14/35/759331435.db2.gz LCAAAEMCAPIOAN-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240055 759331444 /nfs/dbraw/zinc/33/14/44/759331444.db2.gz LCAAAEMCAPIOAN-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240055 759331451 /nfs/dbraw/zinc/33/14/51/759331451.db2.gz LCAAAEMCAPIOAN-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240963 759333727 /nfs/dbraw/zinc/33/37/27/759333727.db2.gz GWENHIFPFJYSGD-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668923 759963001 /nfs/dbraw/zinc/96/30/01/759963001.db2.gz NIRYVDZESKRHGI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778860 760211774 /nfs/dbraw/zinc/21/17/74/760211774.db2.gz IXXRBMHKKSPWLZ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778860 760211776 /nfs/dbraw/zinc/21/17/76/760211776.db2.gz IXXRBMHKKSPWLZ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778860 760211781 /nfs/dbraw/zinc/21/17/81/760211781.db2.gz IXXRBMHKKSPWLZ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778860 760211783 /nfs/dbraw/zinc/21/17/83/760211783.db2.gz IXXRBMHKKSPWLZ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789024 760246010 /nfs/dbraw/zinc/24/60/10/760246010.db2.gz YVQHABBDEDPOFZ-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789024 760246015 /nfs/dbraw/zinc/24/60/15/760246015.db2.gz YVQHABBDEDPOFZ-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108214129 760388996 /nfs/dbraw/zinc/38/89/96/760388996.db2.gz ZSWNVRRGCIEVTA-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108214129 760389008 /nfs/dbraw/zinc/38/90/08/760389008.db2.gz ZSWNVRRGCIEVTA-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108214129 760389020 /nfs/dbraw/zinc/38/90/20/760389020.db2.gz ZSWNVRRGCIEVTA-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538824 761185887 /nfs/dbraw/zinc/18/58/87/761185887.db2.gz YDLBRGINMGWVKS-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038538824 761185889 /nfs/dbraw/zinc/18/58/89/761185889.db2.gz YDLBRGINMGWVKS-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038538824 761185891 /nfs/dbraw/zinc/18/58/91/761185891.db2.gz YDLBRGINMGWVKS-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001000208065 761574306 /nfs/dbraw/zinc/57/43/06/761574306.db2.gz JGHSDMQKYJAMLP-CQSZACIVSA-N 2 1 316.405 1.098 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086456286 761642054 /nfs/dbraw/zinc/64/20/54/761642054.db2.gz ZCAFWYUBWSBLMX-JFIYKMOQSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039137873 761772362 /nfs/dbraw/zinc/77/23/62/761772362.db2.gz SZFMECWPMMFWPN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039137873 761772367 /nfs/dbraw/zinc/77/23/67/761772367.db2.gz SZFMECWPMMFWPN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039137873 761772373 /nfs/dbraw/zinc/77/23/73/761772373.db2.gz SZFMECWPMMFWPN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287274 761776205 /nfs/dbraw/zinc/77/62/05/761776205.db2.gz PFQXMNDAOHYNCA-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159006 761785122 /nfs/dbraw/zinc/78/51/22/761785122.db2.gz ADQMGPDAMZDCMU-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172932 761796660 /nfs/dbraw/zinc/79/66/60/761796660.db2.gz JMLYNKDEPYNUEY-DLBZAZTESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172932 761796666 /nfs/dbraw/zinc/79/66/66/761796666.db2.gz JMLYNKDEPYNUEY-DLBZAZTESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172932 761796671 /nfs/dbraw/zinc/79/66/71/761796671.db2.gz JMLYNKDEPYNUEY-DLBZAZTESA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001308931 762747592 /nfs/dbraw/zinc/74/75/92/762747592.db2.gz YMHBLEWNTGIWIN-UHFFFAOYSA-N 2 1 321.384 1.262 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001001308931 762747596 /nfs/dbraw/zinc/74/75/96/762747596.db2.gz YMHBLEWNTGIWIN-UHFFFAOYSA-N 2 1 321.384 1.262 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001404176 762831654 /nfs/dbraw/zinc/83/16/54/762831654.db2.gz HCZDEUQCIJVDHC-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041139798 762833414 /nfs/dbraw/zinc/83/34/14/762833414.db2.gz HLVMPFDRCDERID-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717796 762874379 /nfs/dbraw/zinc/87/43/79/762874379.db2.gz VOJQSPBGDXPCAU-JYJNAYRXSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041274756 762926384 /nfs/dbraw/zinc/92/63/84/762926384.db2.gz BGJOJKJBIGCUOK-SJLPKXTDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274756 762926387 /nfs/dbraw/zinc/92/63/87/762926387.db2.gz BGJOJKJBIGCUOK-SJLPKXTDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274756 762926390 /nfs/dbraw/zinc/92/63/90/762926390.db2.gz BGJOJKJBIGCUOK-SJLPKXTDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041358468 762978402 /nfs/dbraw/zinc/97/84/02/762978402.db2.gz OTLGXYKIUXTRMM-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041358468 762978407 /nfs/dbraw/zinc/97/84/07/762978407.db2.gz OTLGXYKIUXTRMM-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041358468 762978413 /nfs/dbraw/zinc/97/84/13/762978413.db2.gz OTLGXYKIUXTRMM-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001050120289 763167118 /nfs/dbraw/zinc/16/71/18/763167118.db2.gz YXKUZQLUPNDVLW-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050120289 763167121 /nfs/dbraw/zinc/16/71/21/763167121.db2.gz YXKUZQLUPNDVLW-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050120289 763167124 /nfs/dbraw/zinc/16/71/24/763167124.db2.gz YXKUZQLUPNDVLW-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050140758 763203711 /nfs/dbraw/zinc/20/37/11/763203711.db2.gz PGHDYMXJJZALGQ-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050140758 763203725 /nfs/dbraw/zinc/20/37/25/763203725.db2.gz PGHDYMXJJZALGQ-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050140758 763203735 /nfs/dbraw/zinc/20/37/35/763203735.db2.gz PGHDYMXJJZALGQ-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050548857 763741919 /nfs/dbraw/zinc/74/19/19/763741919.db2.gz BUEJAZCZWMLOBH-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042287209 763863316 /nfs/dbraw/zinc/86/33/16/763863316.db2.gz HFGDTYWYACGTGP-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042313878 763902974 /nfs/dbraw/zinc/90/29/74/763902974.db2.gz KPOFSFLOPAEYBA-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131696953 768279759 /nfs/dbraw/zinc/27/97/59/768279759.db2.gz DSPCOALLMGTMGP-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696953 768279763 /nfs/dbraw/zinc/27/97/63/768279763.db2.gz DSPCOALLMGTMGP-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696953 768279765 /nfs/dbraw/zinc/27/97/65/768279765.db2.gz DSPCOALLMGTMGP-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662139 766050468 /nfs/dbraw/zinc/05/04/68/766050468.db2.gz FYQPADOSUDRJHI-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662139 766050474 /nfs/dbraw/zinc/05/04/74/766050474.db2.gz FYQPADOSUDRJHI-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265670 768347391 /nfs/dbraw/zinc/34/73/91/768347391.db2.gz VINHDJAEWADQBM-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001158480243 768437386 /nfs/dbraw/zinc/43/73/86/768437386.db2.gz KDNRJSAMTYIPML-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001158480243 768437391 /nfs/dbraw/zinc/43/73/91/768437391.db2.gz KDNRJSAMTYIPML-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001158480243 768437396 /nfs/dbraw/zinc/43/73/96/768437396.db2.gz KDNRJSAMTYIPML-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001047528895 768546150 /nfs/dbraw/zinc/54/61/50/768546150.db2.gz HDGKLCRVEQVXSO-HOTGVXAUSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107054 768632397 /nfs/dbraw/zinc/63/23/97/768632397.db2.gz XGSZKZYEDXNUBN-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CCCC)C2 ZINC001096313295 769144021 /nfs/dbraw/zinc/14/40/21/769144021.db2.gz AJQVZOAKFAYAGO-VSZNYVQBSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313295 769144029 /nfs/dbraw/zinc/14/40/29/769144029.db2.gz AJQVZOAKFAYAGO-VSZNYVQBSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313295 769144035 /nfs/dbraw/zinc/14/40/35/769144035.db2.gz AJQVZOAKFAYAGO-VSZNYVQBSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CCCC)C2 ZINC001096313295 769144040 /nfs/dbraw/zinc/14/40/40/769144040.db2.gz AJQVZOAKFAYAGO-VSZNYVQBSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241743 769182950 /nfs/dbraw/zinc/18/29/50/769182950.db2.gz ZUGXEEQFCZZWJD-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364168 769418106 /nfs/dbraw/zinc/41/81/06/769418106.db2.gz MUWVPJGQHOQFSQ-KMFMINBZSA-N 2 1 312.417 1.506 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001096364168 769418111 /nfs/dbraw/zinc/41/81/11/769418111.db2.gz MUWVPJGQHOQFSQ-KMFMINBZSA-N 2 1 312.417 1.506 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538327 769508556 /nfs/dbraw/zinc/50/85/56/769508556.db2.gz QZJIAHPKANKIKI-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048538327 769508564 /nfs/dbraw/zinc/50/85/64/769508564.db2.gz QZJIAHPKANKIKI-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001048538327 769508574 /nfs/dbraw/zinc/50/85/74/769508574.db2.gz QZJIAHPKANKIKI-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048815451 769934562 /nfs/dbraw/zinc/93/45/62/769934562.db2.gz MCPVCCZDMNVSEG-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048815451 769934567 /nfs/dbraw/zinc/93/45/67/769934567.db2.gz MCPVCCZDMNVSEG-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048815451 769934571 /nfs/dbraw/zinc/93/45/71/769934571.db2.gz MCPVCCZDMNVSEG-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048872660 770025018 /nfs/dbraw/zinc/02/50/18/770025018.db2.gz BWPSMBRHRIDMGG-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872660 770025030 /nfs/dbraw/zinc/02/50/30/770025030.db2.gz BWPSMBRHRIDMGG-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872660 770025043 /nfs/dbraw/zinc/02/50/43/770025043.db2.gz BWPSMBRHRIDMGG-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1C ZINC001071895676 770244875 /nfs/dbraw/zinc/24/48/75/770244875.db2.gz AVTOKJGUQZTITH-YJBOKZPZSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071997623 770409025 /nfs/dbraw/zinc/40/90/25/770409025.db2.gz CDKDEVNHCCSWMJ-CABCVRRESA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071997623 770409028 /nfs/dbraw/zinc/40/90/28/770409028.db2.gz CDKDEVNHCCSWMJ-CABCVRRESA-N 2 1 314.433 1.754 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096294 770537581 /nfs/dbraw/zinc/53/75/81/770537581.db2.gz WXYVHKHNSGINEP-YJBOKZPZSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=C)Cl)C1 ZINC001086720934 770859127 /nfs/dbraw/zinc/85/91/27/770859127.db2.gz WHWRXJFZXXDART-XHSDSOJGSA-N 2 1 323.868 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=C)Cl)C1 ZINC001086720934 770859136 /nfs/dbraw/zinc/85/91/36/770859136.db2.gz WHWRXJFZXXDART-XHSDSOJGSA-N 2 1 323.868 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688106 771087559 /nfs/dbraw/zinc/08/75/59/771087559.db2.gz QRWFFNHYDJYDQT-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049724897 771115454 /nfs/dbraw/zinc/11/54/54/771115454.db2.gz UQYZHMNSRPITEM-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724897 771115455 /nfs/dbraw/zinc/11/54/55/771115455.db2.gz UQYZHMNSRPITEM-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049724897 771115457 /nfs/dbraw/zinc/11/54/57/771115457.db2.gz UQYZHMNSRPITEM-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001049903837 771247746 /nfs/dbraw/zinc/24/77/46/771247746.db2.gz ZYMCPFHVGDKORI-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001049903837 771247750 /nfs/dbraw/zinc/24/77/50/771247750.db2.gz ZYMCPFHVGDKORI-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001096612044 771307671 /nfs/dbraw/zinc/30/76/71/771307671.db2.gz ZZYSGEIRWPCTDM-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001091204271 772614899 /nfs/dbraw/zinc/61/48/99/772614899.db2.gz BVSNVERSLVMKHO-SHARSMKWSA-N 2 1 302.422 1.424 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001073740185 773361542 /nfs/dbraw/zinc/36/15/42/773361542.db2.gz BXHTXGWWHHEZMJ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001073740185 773361550 /nfs/dbraw/zinc/36/15/50/773361550.db2.gz BXHTXGWWHHEZMJ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001073740185 773361558 /nfs/dbraw/zinc/36/15/58/773361558.db2.gz BXHTXGWWHHEZMJ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899017 773509651 /nfs/dbraw/zinc/50/96/51/773509651.db2.gz ISNGMPFBYUKPMF-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899017 773509653 /nfs/dbraw/zinc/50/96/53/773509653.db2.gz ISNGMPFBYUKPMF-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899017 773509654 /nfs/dbraw/zinc/50/96/54/773509654.db2.gz ISNGMPFBYUKPMF-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](C(C)C)C[C@@]2(C)C1 ZINC001091749309 773600237 /nfs/dbraw/zinc/60/02/37/773600237.db2.gz IZDYIUGHFFYMJS-RYRKJORJSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](C(C)C)C[C@@]2(C)C1 ZINC001091749309 773600241 /nfs/dbraw/zinc/60/02/41/773600241.db2.gz IZDYIUGHFFYMJS-RYRKJORJSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C(C)C)C[C@@]2(C)C1 ZINC001091749309 773600244 /nfs/dbraw/zinc/60/02/44/773600244.db2.gz IZDYIUGHFFYMJS-RYRKJORJSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](C(C)C)C[C@@]2(C)C1 ZINC001091749309 773600245 /nfs/dbraw/zinc/60/02/45/773600245.db2.gz IZDYIUGHFFYMJS-RYRKJORJSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907903 773709370 /nfs/dbraw/zinc/70/93/70/773709370.db2.gz GVRLWXCTSJRIHX-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC001092817432 774280379 /nfs/dbraw/zinc/28/03/79/774280379.db2.gz WDWSNAGNJGKACD-HUUCEWRRSA-N 2 1 323.400 1.198 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759030 774504145 /nfs/dbraw/zinc/50/41/45/774504145.db2.gz DKDZXWJVULQVNG-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762207 774515204 /nfs/dbraw/zinc/51/52/04/774515204.db2.gz GYKWVYAZZNWXGO-AEFFLSMTSA-N 2 1 322.412 1.894 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341693 774952534 /nfs/dbraw/zinc/95/25/34/774952534.db2.gz POSXIWMQHZBIOX-QJPTWQEYSA-N 2 1 305.344 1.103 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099538708 775021045 /nfs/dbraw/zinc/02/10/45/775021045.db2.gz XIDULPFIDJBEER-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544541 775023086 /nfs/dbraw/zinc/02/30/86/775023086.db2.gz QNZQQLKQOGOYOY-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544541 775023095 /nfs/dbraw/zinc/02/30/95/775023095.db2.gz QNZQQLKQOGOYOY-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544541 775023103 /nfs/dbraw/zinc/02/31/03/775023103.db2.gz QNZQQLKQOGOYOY-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC2(CCOCC2)C1 ZINC001099595063 775054489 /nfs/dbraw/zinc/05/44/89/775054489.db2.gz RXBKKTSREJNHSV-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930899 775436426 /nfs/dbraw/zinc/43/64/26/775436426.db2.gz NZLFWYVOIZJRBL-DLBZAZTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930899 775436436 /nfs/dbraw/zinc/43/64/36/775436436.db2.gz NZLFWYVOIZJRBL-DLBZAZTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](O)C1 ZINC001099930899 775436444 /nfs/dbraw/zinc/43/64/44/775436444.db2.gz NZLFWYVOIZJRBL-DLBZAZTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034162 775598903 /nfs/dbraw/zinc/59/89/03/775598903.db2.gz OYLXXVZVKWWXRT-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034162 775598908 /nfs/dbraw/zinc/59/89/08/775598908.db2.gz OYLXXVZVKWWXRT-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038480 775603509 /nfs/dbraw/zinc/60/35/09/775603509.db2.gz JSTFDWIIRAWQRM-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038480 775603510 /nfs/dbraw/zinc/60/35/10/775603510.db2.gz JSTFDWIIRAWQRM-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccn4c[nH+]cc4c3)CCC[C@@H]12 ZINC001094459114 775896956 /nfs/dbraw/zinc/89/69/56/775896956.db2.gz CYIVXTDFASMZSM-IEBWSBKVSA-N 2 1 322.412 1.942 20 30 DDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001172298983 776761491 /nfs/dbraw/zinc/76/14/91/776761491.db2.gz FKJZSDFUKDMOLH-HNNXBMFYSA-N 2 1 314.433 1.243 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101464384 777156176 /nfs/dbraw/zinc/15/61/76/777156176.db2.gz GEXIYWITTWCKSN-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477190 777161364 /nfs/dbraw/zinc/16/13/64/777161364.db2.gz HPOOBQORZHCBCL-ZBFHGGJFSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101477190 777161370 /nfs/dbraw/zinc/16/13/70/777161370.db2.gz HPOOBQORZHCBCL-ZBFHGGJFSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477190 777161376 /nfs/dbraw/zinc/16/13/76/777161376.db2.gz HPOOBQORZHCBCL-ZBFHGGJFSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101477190 777161383 /nfs/dbraw/zinc/16/13/83/777161383.db2.gz HPOOBQORZHCBCL-ZBFHGGJFSA-N 2 1 313.873 1.859 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213584 777942187 /nfs/dbraw/zinc/94/21/87/777942187.db2.gz LNNKUVSFGAJJJK-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001176072290 778012757 /nfs/dbraw/zinc/01/27/57/778012757.db2.gz NZXNJNOSMIYXQH-MRXNPFEDSA-N 2 1 300.406 1.106 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563518 778182955 /nfs/dbraw/zinc/18/29/55/778182955.db2.gz FLQCMQPJWYXLBC-UONOGXRCSA-N 2 1 301.862 1.955 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176644622 778199615 /nfs/dbraw/zinc/19/96/15/778199615.db2.gz YVGJRVJZWZGURA-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176644622 778199619 /nfs/dbraw/zinc/19/96/19/778199619.db2.gz YVGJRVJZWZGURA-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185554 778698210 /nfs/dbraw/zinc/69/82/10/778698210.db2.gz CVTZUJJCMMFISR-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001103724524 779015265 /nfs/dbraw/zinc/01/52/65/779015265.db2.gz HMURNWLMOBQDGR-IXDOHACOSA-N 2 1 323.481 1.215 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178521787 779077459 /nfs/dbraw/zinc/07/74/59/779077459.db2.gz DQNDBRPDXRWSRK-IAGOWNOFSA-N 2 1 323.481 1.243 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001179178827 779292276 /nfs/dbraw/zinc/29/22/76/779292276.db2.gz AFGNWNCSUQTUFQ-SWOOZJHCSA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180135544 779618194 /nfs/dbraw/zinc/61/81/94/779618194.db2.gz HZTLODJXSMQRKG-IKGGRYGDSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1 ZINC001112404249 779761206 /nfs/dbraw/zinc/76/12/06/779761206.db2.gz PATHUNSGFXVVIO-BQFCYCMXSA-N 2 1 321.440 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCF)C1 ZINC001112404249 779761211 /nfs/dbraw/zinc/76/12/11/779761211.db2.gz PATHUNSGFXVVIO-BQFCYCMXSA-N 2 1 321.440 1.272 20 30 DDEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001267243821 837593867 /nfs/dbraw/zinc/59/38/67/837593867.db2.gz LOYLKCYLXVIBBW-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001267243821 837593873 /nfs/dbraw/zinc/59/38/73/837593873.db2.gz LOYLKCYLXVIBBW-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001267243821 837593876 /nfs/dbraw/zinc/59/38/76/837593876.db2.gz LOYLKCYLXVIBBW-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001267243821 837593879 /nfs/dbraw/zinc/59/38/79/837593879.db2.gz LOYLKCYLXVIBBW-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267302843 837787312 /nfs/dbraw/zinc/78/73/12/837787312.db2.gz IQUZWYKSCYXOSY-MAUKXSAKSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267302843 837787317 /nfs/dbraw/zinc/78/73/17/837787317.db2.gz IQUZWYKSCYXOSY-MAUKXSAKSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267302843 837787327 /nfs/dbraw/zinc/78/73/27/837787327.db2.gz IQUZWYKSCYXOSY-MAUKXSAKSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001271819198 844131564 /nfs/dbraw/zinc/13/15/64/844131564.db2.gz HXTGPUSFWUQAKE-KRWDZBQOSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC/C=C\CC)C1 ZINC001266517941 836401733 /nfs/dbraw/zinc/40/17/33/836401733.db2.gz QCKMWAQPHVHHPN-WIJVFFIESA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001266517941 836401737 /nfs/dbraw/zinc/40/17/37/836401737.db2.gz QCKMWAQPHVHHPN-WIJVFFIESA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC/C=C\CC)C1 ZINC001266517941 836401741 /nfs/dbraw/zinc/40/17/41/836401741.db2.gz QCKMWAQPHVHHPN-WIJVFFIESA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC/C=C\CC)C1 ZINC001266517941 836401742 /nfs/dbraw/zinc/40/17/42/836401742.db2.gz QCKMWAQPHVHHPN-WIJVFFIESA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C1 ZINC001266691167 836675955 /nfs/dbraw/zinc/67/59/55/836675955.db2.gz XGPSEPZXBAWGHV-BBWFWOEESA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)C)C1 ZINC001266691167 836675962 /nfs/dbraw/zinc/67/59/62/836675962.db2.gz XGPSEPZXBAWGHV-BBWFWOEESA-N 2 1 305.466 1.757 20 30 DDEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266858661 836950838 /nfs/dbraw/zinc/95/08/38/836950838.db2.gz VCMVNSSNFDSZJV-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266858661 836950846 /nfs/dbraw/zinc/95/08/46/836950846.db2.gz VCMVNSSNFDSZJV-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001266948737 837099616 /nfs/dbraw/zinc/09/96/16/837099616.db2.gz GYALUWWXWCXTJV-BBRMVZONSA-N 2 1 319.474 1.748 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1csc(C)c1 ZINC001266948737 837099624 /nfs/dbraw/zinc/09/96/24/837099624.db2.gz GYALUWWXWCXTJV-BBRMVZONSA-N 2 1 319.474 1.748 20 30 DDEDMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001267096696 837334919 /nfs/dbraw/zinc/33/49/19/837334919.db2.gz VMTVWJUBWZJIGC-CRAIPNDOSA-N 2 1 313.445 1.408 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267465465 838112843 /nfs/dbraw/zinc/11/28/43/838112843.db2.gz GKKGDBRWBTUOJK-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267465465 838112858 /nfs/dbraw/zinc/11/28/58/838112858.db2.gz GKKGDBRWBTUOJK-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267465465 838112865 /nfs/dbraw/zinc/11/28/65/838112865.db2.gz GKKGDBRWBTUOJK-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267487866 838167067 /nfs/dbraw/zinc/16/70/67/838167067.db2.gz FBYCNUSDOBXGAX-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267560582 838308124 /nfs/dbraw/zinc/30/81/24/838308124.db2.gz LCZSWDAGDZNLAM-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001267560582 838308132 /nfs/dbraw/zinc/30/81/32/838308132.db2.gz LCZSWDAGDZNLAM-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001267560582 838308135 /nfs/dbraw/zinc/30/81/35/838308135.db2.gz LCZSWDAGDZNLAM-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267653441 838585563 /nfs/dbraw/zinc/58/55/63/838585563.db2.gz RWQRNHNBEHKHGL-OAHLLOKOSA-N 2 1 319.453 1.025 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267788824 838983185 /nfs/dbraw/zinc/98/31/85/838983185.db2.gz BXIWQFLVUQITFM-INIZCTEOSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267788824 838983191 /nfs/dbraw/zinc/98/31/91/838983191.db2.gz BXIWQFLVUQITFM-INIZCTEOSA-N 2 1 320.437 1.317 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267830280 839045107 /nfs/dbraw/zinc/04/51/07/839045107.db2.gz BLZCQJHIWPIAGW-IAGOWNOFSA-N 2 1 301.434 1.797 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001269239475 841404125 /nfs/dbraw/zinc/40/41/25/841404125.db2.gz AEFXQWUIWZPQFJ-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001269960933 842183612 /nfs/dbraw/zinc/18/36/12/842183612.db2.gz SRPOIIIBVJWIQA-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001270138500 842325727 /nfs/dbraw/zinc/32/57/27/842325727.db2.gz TWNZWCUHFZUEOE-SFHVURJKSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001280220459 842561035 /nfs/dbraw/zinc/56/10/35/842561035.db2.gz XTUGGEGODFMDCQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001409738130 845647971 /nfs/dbraw/zinc/64/79/71/845647971.db2.gz CLNJTTQYRIVNGE-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001409738130 845647974 /nfs/dbraw/zinc/64/79/74/845647974.db2.gz CLNJTTQYRIVNGE-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001409738130 845647977 /nfs/dbraw/zinc/64/79/77/845647977.db2.gz CLNJTTQYRIVNGE-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000996934368 846886674 /nfs/dbraw/zinc/88/66/74/846886674.db2.gz LEDCFHKBTIRQMA-CQSZACIVSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001272887300 847594920 /nfs/dbraw/zinc/59/49/20/847594920.db2.gz BSPWEYDWKWWURP-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001273000137 847764379 /nfs/dbraw/zinc/76/43/79/847764379.db2.gz WNCRCFOWGXMKGM-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001034365352 848421677 /nfs/dbraw/zinc/42/16/77/848421677.db2.gz ZXBKEVFJWVRMBR-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365352 848421680 /nfs/dbraw/zinc/42/16/80/848421680.db2.gz ZXBKEVFJWVRMBR-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365352 848421682 /nfs/dbraw/zinc/42/16/82/848421682.db2.gz ZXBKEVFJWVRMBR-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365352 848421688 /nfs/dbraw/zinc/42/16/88/848421688.db2.gz ZXBKEVFJWVRMBR-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001034401914 848468706 /nfs/dbraw/zinc/46/87/06/848468706.db2.gz WXNRZOYAJNYCKZ-KBPBESRZSA-N 2 1 302.422 1.986 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001327129623 861915637 /nfs/dbraw/zinc/91/56/37/861915637.db2.gz IEGGDWSKVXKAEC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001327129623 861915648 /nfs/dbraw/zinc/91/56/48/861915648.db2.gz IEGGDWSKVXKAEC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001327129623 861915658 /nfs/dbraw/zinc/91/56/58/861915658.db2.gz IEGGDWSKVXKAEC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCN1CC[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273145161 848571153 /nfs/dbraw/zinc/57/11/53/848571153.db2.gz VATOAAZONLSWNZ-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149841357 861933618 /nfs/dbraw/zinc/93/36/18/861933618.db2.gz CZDBOLJETSHTTH-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001327226180 861977477 /nfs/dbraw/zinc/97/74/77/861977477.db2.gz XLYRNYOYGGTUSJ-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)CC[N@@H+](C)CC)CCO2 ZINC001273637390 851173750 /nfs/dbraw/zinc/17/37/50/851173750.db2.gz QTYBMKCLTHXTQT-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001273637390 851173759 /nfs/dbraw/zinc/17/37/59/851173759.db2.gz QTYBMKCLTHXTQT-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001274436689 852264670 /nfs/dbraw/zinc/26/46/70/852264670.db2.gz PGXULFPKTPBYCH-HNNXBMFYSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001274436689 852264678 /nfs/dbraw/zinc/26/46/78/852264678.db2.gz PGXULFPKTPBYCH-HNNXBMFYSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC001274731667 852562880 /nfs/dbraw/zinc/56/28/80/852562880.db2.gz AVHDXLFAKJKLIT-ULQDDVLXSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC001274731667 852562885 /nfs/dbraw/zinc/56/28/85/852562885.db2.gz AVHDXLFAKJKLIT-ULQDDVLXSA-N 2 1 321.465 1.138 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001155791609 862455694 /nfs/dbraw/zinc/45/56/94/862455694.db2.gz XVLHNSAOVMICDI-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001275915138 853938921 /nfs/dbraw/zinc/93/89/21/853938921.db2.gz JXQXBIWAKJZBMU-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCN1CC[NH+](CCCCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001328501947 863010693 /nfs/dbraw/zinc/01/06/93/863010693.db2.gz TUJLDXUQSWBEHX-QGZVFWFLSA-N 2 1 322.497 1.171 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242600 858722645 /nfs/dbraw/zinc/72/26/45/858722645.db2.gz KUEIQLVCTOKKNL-RFSHTEQGSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001224576757 881457179 /nfs/dbraw/zinc/45/71/79/881457179.db2.gz PWXHJLGXIOAFBD-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224854986 881562346 /nfs/dbraw/zinc/56/23/46/881562346.db2.gz IWKBGMOTYNMEFN-UHFFFAOYSA-N 2 1 302.422 1.433 20 30 DDEDMP N#C[C@H]1CC[C@H](Nc2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001157055822 863542434 /nfs/dbraw/zinc/54/24/34/863542434.db2.gz WOGYRKAVDYMRBQ-MQMHXKEQSA-N 2 1 300.410 1.898 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124685 864446040 /nfs/dbraw/zinc/44/60/40/864446040.db2.gz ROCRMVDVTSPUIB-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001158124685 864446043 /nfs/dbraw/zinc/44/60/43/864446043.db2.gz ROCRMVDVTSPUIB-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124685 864446044 /nfs/dbraw/zinc/44/60/44/864446044.db2.gz ROCRMVDVTSPUIB-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124685 864446046 /nfs/dbraw/zinc/44/60/46/864446046.db2.gz ROCRMVDVTSPUIB-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001331060248 864813157 /nfs/dbraw/zinc/81/31/57/864813157.db2.gz SYWHAUHXXNGPLD-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1csc(C)c1 ZINC001160209254 865731005 /nfs/dbraw/zinc/73/10/05/865731005.db2.gz FRAIPDNLGKLZIW-INIZCTEOSA-N 2 1 319.474 1.750 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1csc(C)c1 ZINC001160209254 865731014 /nfs/dbraw/zinc/73/10/14/865731014.db2.gz FRAIPDNLGKLZIW-INIZCTEOSA-N 2 1 319.474 1.750 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001160466960 865865217 /nfs/dbraw/zinc/86/52/17/865865217.db2.gz MBLNRAWPEIHTDR-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001160466960 865865230 /nfs/dbraw/zinc/86/52/30/865865230.db2.gz MBLNRAWPEIHTDR-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001160466960 865865246 /nfs/dbraw/zinc/86/52/46/865865246.db2.gz MBLNRAWPEIHTDR-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001160568481 865949876 /nfs/dbraw/zinc/94/98/76/865949876.db2.gz WCBOBFMKWUQFMP-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568481 865949883 /nfs/dbraw/zinc/94/98/83/865949883.db2.gz WCBOBFMKWUQFMP-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001160568481 865949888 /nfs/dbraw/zinc/94/98/88/865949888.db2.gz WCBOBFMKWUQFMP-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001161042989 866313521 /nfs/dbraw/zinc/31/35/21/866313521.db2.gz VVVWAWJSIQIKJF-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001319869799 866360773 /nfs/dbraw/zinc/36/07/73/866360773.db2.gz QFHXVKMGQMAMBI-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390814 866621107 /nfs/dbraw/zinc/62/11/07/866621107.db2.gz KLLQXUVUOYMLTF-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001324065817 867045567 /nfs/dbraw/zinc/04/55/67/867045567.db2.gz BAUBVEJGMBPOTC-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1cc[nH+]c1C ZINC001162997195 867981371 /nfs/dbraw/zinc/98/13/71/867981371.db2.gz NJTSUJHTCSZCEX-UHFFFAOYSA-N 2 1 324.428 1.486 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001322182382 868031715 /nfs/dbraw/zinc/03/17/15/868031715.db2.gz FLFMCLSAPFSPDJ-HNNXBMFYSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163082409 868068955 /nfs/dbraw/zinc/06/89/55/868068955.db2.gz ROCFCUDVXBUUEE-CYBMUJFWSA-N 2 1 313.405 1.798 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001165569485 869642950 /nfs/dbraw/zinc/64/29/50/869642950.db2.gz ZQRQMLSIJDNMSC-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736294 870208384 /nfs/dbraw/zinc/20/83/84/870208384.db2.gz INQQQPNVBQETJC-UHFFFAOYSA-N 2 1 320.437 1.946 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317297557 870595101 /nfs/dbraw/zinc/59/51/01/870595101.db2.gz XVNVUGRROPPNTE-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317297557 870595106 /nfs/dbraw/zinc/59/51/06/870595106.db2.gz XVNVUGRROPPNTE-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203816188 870776918 /nfs/dbraw/zinc/77/69/18/870776918.db2.gz YPWSVFSFPWNYNY-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203816188 870776927 /nfs/dbraw/zinc/77/69/27/870776927.db2.gz YPWSVFSFPWNYNY-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001340775094 871346709 /nfs/dbraw/zinc/34/67/09/871346709.db2.gz ZBGXQYKOROKUQY-QGZVFWFLSA-N 2 1 315.417 1.171 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@@H]1CC ZINC001316742382 871365459 /nfs/dbraw/zinc/36/54/59/871365459.db2.gz QKBZGHYSQXWILI-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317862955 871603338 /nfs/dbraw/zinc/60/33/38/871603338.db2.gz KFSCWRRIQXQDHD-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001317882638 871618196 /nfs/dbraw/zinc/61/81/96/871618196.db2.gz RYYFDRZNFFJART-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001313051054 871776123 /nfs/dbraw/zinc/77/61/23/871776123.db2.gz UINRQWYWJIIYER-QGZVFWFLSA-N 2 1 314.433 1.125 20 30 DDEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001316762791 871836286 /nfs/dbraw/zinc/83/62/86/871836286.db2.gz FAPCYYHVNVFDJM-DLBZAZTESA-N 2 1 323.481 1.147 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001316762791 871836300 /nfs/dbraw/zinc/83/63/00/871836300.db2.gz FAPCYYHVNVFDJM-DLBZAZTESA-N 2 1 323.481 1.147 20 30 DDEDMP CC#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001316762791 871836311 /nfs/dbraw/zinc/83/63/11/871836311.db2.gz FAPCYYHVNVFDJM-DLBZAZTESA-N 2 1 323.481 1.147 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CC(C)C1 ZINC001316829407 872128846 /nfs/dbraw/zinc/12/88/46/872128846.db2.gz QKQSJSRNJAGPAV-JCYILVPMSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1CC(C)C1 ZINC001316829407 872128853 /nfs/dbraw/zinc/12/88/53/872128853.db2.gz QKQSJSRNJAGPAV-JCYILVPMSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CC(C)C1 ZINC001316829407 872128864 /nfs/dbraw/zinc/12/88/64/872128864.db2.gz QKQSJSRNJAGPAV-JCYILVPMSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CC(C)C1 ZINC001316829407 872128871 /nfs/dbraw/zinc/12/88/71/872128871.db2.gz QKQSJSRNJAGPAV-JCYILVPMSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001318803514 872278572 /nfs/dbraw/zinc/27/85/72/872278572.db2.gz GDSBGFGNTVZZBG-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226722063 882609798 /nfs/dbraw/zinc/60/97/98/882609798.db2.gz FMZCTSKAHHWZAA-HOCLYGCPSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722063 882609804 /nfs/dbraw/zinc/60/98/04/882609804.db2.gz FMZCTSKAHHWZAA-HOCLYGCPSA-N 2 1 309.454 1.252 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001344778063 873110888 /nfs/dbraw/zinc/11/08/88/873110888.db2.gz OOSFTHLOJPRWQD-BFHYXJOUSA-N 2 1 310.467 1.094 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001344778063 873110897 /nfs/dbraw/zinc/11/08/97/873110897.db2.gz OOSFTHLOJPRWQD-BFHYXJOUSA-N 2 1 310.467 1.094 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001207396342 873231915 /nfs/dbraw/zinc/23/19/15/873231915.db2.gz GBTFQZPTOIZTCE-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001346136841 873620243 /nfs/dbraw/zinc/62/02/43/873620243.db2.gz QZGAXURAQJVMAQ-HNNXBMFYSA-N 2 1 320.437 1.667 20 30 DDEDMP C[N@@H+](CCCc1ccc(C#N)cc1)CCN1CC[NH+](C)CC1 ZINC001208862862 874491534 /nfs/dbraw/zinc/49/15/34/874491534.db2.gz PZZGSUDLCZCILX-UHFFFAOYSA-N 2 1 300.450 1.670 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001348359227 874509793 /nfs/dbraw/zinc/50/97/93/874509793.db2.gz PAEMWFMMTJQMCJ-INMHGKMJSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348818 875904183 /nfs/dbraw/zinc/90/41/83/875904183.db2.gz WFGDLCSWGWEDIQ-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215778440 876805110 /nfs/dbraw/zinc/80/51/10/876805110.db2.gz LGHAGWSICBNPGK-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC001353383408 877293187 /nfs/dbraw/zinc/29/31/87/877293187.db2.gz AVBMROHEWIPNJW-MRXNPFEDSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC001353383408 877293204 /nfs/dbraw/zinc/29/32/04/877293204.db2.gz AVBMROHEWIPNJW-MRXNPFEDSA-N 2 1 320.481 1.505 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220362472 878948396 /nfs/dbraw/zinc/94/83/96/878948396.db2.gz XWESHWUICVCVHL-OAGGEKHMSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220362472 878948402 /nfs/dbraw/zinc/94/84/02/878948402.db2.gz XWESHWUICVCVHL-OAGGEKHMSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220362472 878948414 /nfs/dbraw/zinc/94/84/14/878948414.db2.gz XWESHWUICVCVHL-OAGGEKHMSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560965 879942572 /nfs/dbraw/zinc/94/25/72/879942572.db2.gz REURRZUNHRBRMY-QBPKDAKJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560965 879942558 /nfs/dbraw/zinc/94/25/58/879942558.db2.gz REURRZUNHRBRMY-QBPKDAKJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560965 879942584 /nfs/dbraw/zinc/94/25/84/879942584.db2.gz REURRZUNHRBRMY-QBPKDAKJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001223727287 881076926 /nfs/dbraw/zinc/07/69/26/881076926.db2.gz ZCOSKJGUBGKTAV-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC001229853362 884194053 /nfs/dbraw/zinc/19/40/53/884194053.db2.gz RLGLHPGIFREUQO-IAGOWNOFSA-N 2 1 323.481 1.385 20 30 DDEDMP CN(C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277948265 888670580 /nfs/dbraw/zinc/67/05/80/888670580.db2.gz GZRSRLGVCZMIPJ-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001278140226 889833382 /nfs/dbraw/zinc/83/33/82/889833382.db2.gz ZBJDWANATPCBDB-WBVHZDCISA-N 2 1 323.481 1.426 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001278333199 891229966 /nfs/dbraw/zinc/22/99/66/891229966.db2.gz CZRUKEZEQMMCLK-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001278333199 891229983 /nfs/dbraw/zinc/22/99/83/891229983.db2.gz CZRUKEZEQMMCLK-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246309063 892533540 /nfs/dbraw/zinc/53/35/40/892533540.db2.gz UBISWAFPZIIYBW-UYTSQGDYSA-N 2 1 309.454 1.428 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246309063 892533554 /nfs/dbraw/zinc/53/35/54/892533554.db2.gz UBISWAFPZIIYBW-UYTSQGDYSA-N 3 1 309.454 1.428 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246309063 892533565 /nfs/dbraw/zinc/53/35/65/892533565.db2.gz UBISWAFPZIIYBW-UYTSQGDYSA-N 3 1 309.454 1.428 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001278562606 894250593 /nfs/dbraw/zinc/25/05/93/894250593.db2.gz RLYWAYVMGWAVLG-SFHVURJKSA-N 2 1 323.481 1.503 20 30 DDEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001278662336 895102672 /nfs/dbraw/zinc/10/26/72/895102672.db2.gz BHWHXWTUGJSISO-YQVWRLOYSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278662336 895102679 /nfs/dbraw/zinc/10/26/79/895102679.db2.gz BHWHXWTUGJSISO-YQVWRLOYSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278662336 895102694 /nfs/dbraw/zinc/10/26/94/895102694.db2.gz BHWHXWTUGJSISO-YQVWRLOYSA-N 2 1 319.493 1.958 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(C#N)c1 ZINC001367282802 896339661 /nfs/dbraw/zinc/33/96/61/896339661.db2.gz DFOCTESXSFQTRW-YOEHRIQHSA-N 2 1 314.433 1.352 20 30 DDEDMP C=CCOC(=O)N1CC2(C1)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001256202808 897312587 /nfs/dbraw/zinc/31/25/87/897312587.db2.gz MNLNCSRZBFLFAD-UHFFFAOYSA-N 2 1 307.438 1.801 20 30 DDEDMP C#CCCN1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1=O ZINC001258004252 898004782 /nfs/dbraw/zinc/00/47/82/898004782.db2.gz FSCVULSUOLVJNC-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001390093325 898669170 /nfs/dbraw/zinc/66/91/70/898669170.db2.gz WPCJCXFPKTVESK-QLFBSQMISA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264078421 900914510 /nfs/dbraw/zinc/91/45/10/900914510.db2.gz KGVWIGCNGODQPY-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264078421 900914513 /nfs/dbraw/zinc/91/45/13/900914513.db2.gz KGVWIGCNGODQPY-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264078421 900914521 /nfs/dbraw/zinc/91/45/21/900914521.db2.gz KGVWIGCNGODQPY-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001264078013 900914872 /nfs/dbraw/zinc/91/48/72/900914872.db2.gz AVSCRIMPEQQSNB-QGZVFWFLSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)[C@H]1C ZINC001264170880 900992887 /nfs/dbraw/zinc/99/28/87/900992887.db2.gz QBLXSRGACRZILQ-KGLIPLIRSA-N 2 1 306.410 1.042 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001264425989 901112422 /nfs/dbraw/zinc/11/24/22/901112422.db2.gz NQDYUYXGMQJWST-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265224388 901738764 /nfs/dbraw/zinc/73/87/64/901738764.db2.gz BZRRLPVTBIRIAN-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265224388 901738776 /nfs/dbraw/zinc/73/87/76/901738776.db2.gz BZRRLPVTBIRIAN-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265224388 901738786 /nfs/dbraw/zinc/73/87/86/901738786.db2.gz BZRRLPVTBIRIAN-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001280039915 903495815 /nfs/dbraw/zinc/49/58/15/903495815.db2.gz DTWJXYRKTVGWPA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001280629893 903861892 /nfs/dbraw/zinc/86/18/92/903861892.db2.gz NALFJFNARHMNNQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281677341 905152151 /nfs/dbraw/zinc/15/21/51/905152151.db2.gz UZVKOUAPJPTJSC-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281677341 905152156 /nfs/dbraw/zinc/15/21/56/905152156.db2.gz UZVKOUAPJPTJSC-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316621765 906016610 /nfs/dbraw/zinc/01/66/10/906016610.db2.gz HRMXTCZGZDQDAS-IYBDPMFKSA-N 2 1 302.422 1.479 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001282861607 906114910 /nfs/dbraw/zinc/11/49/10/906114910.db2.gz OVKDLVFEPCIQER-VQHPVUNQSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001282861607 906114919 /nfs/dbraw/zinc/11/49/19/906114919.db2.gz OVKDLVFEPCIQER-VQHPVUNQSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001282861607 906114926 /nfs/dbraw/zinc/11/49/26/906114926.db2.gz OVKDLVFEPCIQER-VQHPVUNQSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001283612454 907678488 /nfs/dbraw/zinc/67/84/88/907678488.db2.gz QNXKONVWYMGUBZ-CABCVRRESA-N 2 1 304.438 1.856 20 30 DDEDMP C#CC[NH2+][C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001284155066 908561473 /nfs/dbraw/zinc/56/14/73/908561473.db2.gz QXPVYTDTXCNJMB-ROUUACIJSA-N 2 1 313.445 1.279 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001284599835 909234036 /nfs/dbraw/zinc/23/40/36/909234036.db2.gz WOBSLVOVNAAGKL-LSDHHAIUSA-N 2 1 311.445 1.564 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCF)C(C)(C)C ZINC001284599835 909234047 /nfs/dbraw/zinc/23/40/47/909234047.db2.gz WOBSLVOVNAAGKL-LSDHHAIUSA-N 2 1 311.445 1.564 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC=C(C)C)C1 ZINC001284771510 909469532 /nfs/dbraw/zinc/46/95/32/909469532.db2.gz TZSRYQAZILLOHX-JCYILVPMSA-N 2 1 303.450 1.629 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC=C(C)C)C1 ZINC001284771510 909469545 /nfs/dbraw/zinc/46/95/45/909469545.db2.gz TZSRYQAZILLOHX-JCYILVPMSA-N 2 1 303.450 1.629 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000277145273 213325251 /nfs/dbraw/zinc/32/52/51/213325251.db2.gz JINPOKLMYUJKQD-IRXDYDNUSA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000277145273 213325254 /nfs/dbraw/zinc/32/52/54/213325254.db2.gz JINPOKLMYUJKQD-IRXDYDNUSA-N 2 1 317.433 1.714 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)Cc1ccc(F)cc1 ZINC000594439112 356214546 /nfs/dbraw/zinc/21/45/46/356214546.db2.gz OHPMCXLNHGENKL-INIZCTEOSA-N 2 1 320.412 1.785 20 30 DDEDMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599326735 357895167 /nfs/dbraw/zinc/89/51/67/357895167.db2.gz NTNVLKBVSZFZJA-INIZCTEOSA-N 2 1 309.454 1.520 20 30 DDEDMP C[N@@H+](CCCn1ccnc1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599338733 357900006 /nfs/dbraw/zinc/90/00/06/357900006.db2.gz VXANIPVMPUBHOV-OAHLLOKOSA-N 2 1 306.410 1.276 20 30 DDEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729019 358298575 /nfs/dbraw/zinc/29/85/75/358298575.db2.gz CRJJKTIRYSTTAQ-IAGOWNOFSA-N 2 1 323.481 1.625 20 30 DDEDMP C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000625702819 367098436 /nfs/dbraw/zinc/09/84/36/367098436.db2.gz HIQUNEPZDLVZFR-MRXNPFEDSA-N 2 1 317.433 1.822 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272425494 407915360 /nfs/dbraw/zinc/91/53/60/407915360.db2.gz HATHDKSFLZMDEQ-QGZVFWFLSA-N 2 1 322.497 1.145 20 30 DDEDMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCC#N ZINC000189957351 408139409 /nfs/dbraw/zinc/13/94/09/408139409.db2.gz OGDYWPUDTMTJCA-HUUCEWRRSA-N 2 1 314.433 1.372 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000293943286 409212039 /nfs/dbraw/zinc/21/20/39/409212039.db2.gz JFAQUAUOHULEMY-UHFFFAOYSA-N 2 1 317.433 1.312 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000295039343 409309094 /nfs/dbraw/zinc/30/90/94/409309094.db2.gz PIGSOBRKWXWNAF-INIZCTEOSA-N 2 1 324.432 1.584 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c1cnn2-c1ncccn1 ZINC000295039343 409309096 /nfs/dbraw/zinc/30/90/96/409309096.db2.gz PIGSOBRKWXWNAF-INIZCTEOSA-N 2 1 324.432 1.584 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000295023270 409309263 /nfs/dbraw/zinc/30/92/63/409309263.db2.gz NUZWFNFXUGFUDY-OAHLLOKOSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000295023270 409309266 /nfs/dbraw/zinc/30/92/66/409309266.db2.gz NUZWFNFXUGFUDY-OAHLLOKOSA-N 2 1 317.433 1.957 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncccc1N(C)C ZINC000290422223 409397005 /nfs/dbraw/zinc/39/70/05/409397005.db2.gz AEXBEIIRVNLKIR-CYBMUJFWSA-N 2 1 304.442 1.036 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303890919 409555594 /nfs/dbraw/zinc/55/55/94/409555594.db2.gz QHNKIWFEKIDTGT-WBVHZDCISA-N 2 1 318.465 1.490 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000328191200 409930084 /nfs/dbraw/zinc/93/00/84/409930084.db2.gz QEFJQEVXCINFES-QGZVFWFLSA-N 2 1 304.434 1.588 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000328191200 409930087 /nfs/dbraw/zinc/93/00/87/409930087.db2.gz QEFJQEVXCINFES-QGZVFWFLSA-N 2 1 304.434 1.588 20 30 DDEDMP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329913914 533680275 /nfs/dbraw/zinc/68/02/75/533680275.db2.gz XQSJHDNEJUJEGT-CABCVRRESA-N 2 1 319.453 1.681 20 30 DDEDMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000329913914 533680283 /nfs/dbraw/zinc/68/02/83/533680283.db2.gz XQSJHDNEJUJEGT-CABCVRRESA-N 2 1 319.453 1.681 20 30 DDEDMP CN1CCN(C(=O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000367402026 418597238 /nfs/dbraw/zinc/59/72/38/418597238.db2.gz IOVPXGFCRGMWTJ-UHFFFAOYSA-N 2 1 324.428 1.421 20 30 DDEDMP CN1CCN(C(=O)C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000367402026 418597240 /nfs/dbraw/zinc/59/72/40/418597240.db2.gz IOVPXGFCRGMWTJ-UHFFFAOYSA-N 2 1 324.428 1.421 20 30 DDEDMP CC[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261792685 222257580 /nfs/dbraw/zinc/25/75/80/222257580.db2.gz QOEDZMYVPYENEP-XHDPSFHLSA-N 2 1 321.494 1.989 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262008397 222269947 /nfs/dbraw/zinc/26/99/47/222269947.db2.gz WBLBVYBQDKNYMG-JYJNAYRXSA-N 2 1 318.469 1.293 20 30 DDEDMP C[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262817266 222296756 /nfs/dbraw/zinc/29/67/56/222296756.db2.gz VZXUAYAOGLPIIL-ZDUSSCGKSA-N 2 1 305.426 1.236 20 30 DDEDMP C[NH+]=C(NCCc1c(C)noc1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262817266 222296759 /nfs/dbraw/zinc/29/67/59/222296759.db2.gz VZXUAYAOGLPIIL-ZDUSSCGKSA-N 2 1 305.426 1.236 20 30 DDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)C1 ZINC000264073749 222313690 /nfs/dbraw/zinc/31/36/90/222313690.db2.gz FAIDOIVOXVRBKD-CQSZACIVSA-N 2 1 320.437 1.450 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264124075 222322094 /nfs/dbraw/zinc/32/20/94/222322094.db2.gz RTSWQPQMDXTPKE-HNNXBMFYSA-N 2 1 317.481 1.637 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000368195786 418701853 /nfs/dbraw/zinc/70/18/53/418701853.db2.gz XJXPTJHIVSDKJO-KRWDZBQOSA-N 2 1 306.454 1.374 20 30 DDEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)N(C)C ZINC000364249668 418774338 /nfs/dbraw/zinc/77/43/38/418774338.db2.gz HJUZHLSXXZYWRG-HIFRSBDPSA-N 2 1 306.458 1.282 20 30 DDEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)N(C)C ZINC000364249669 418774533 /nfs/dbraw/zinc/77/45/33/418774533.db2.gz HJUZHLSXXZYWRG-UKRRQHHQSA-N 2 1 306.458 1.282 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000424142981 228235440 /nfs/dbraw/zinc/23/54/40/228235440.db2.gz YQGHNBLNWBXIFZ-HNNXBMFYSA-N 2 1 320.462 1.456 20 30 DDEDMP Cc1cccc(N2CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC2)[nH+]1 ZINC000424144867 228236287 /nfs/dbraw/zinc/23/62/87/228236287.db2.gz MIQLVBVZNSBCQK-HNNXBMFYSA-N 2 1 315.421 1.496 20 30 DDEDMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423526965 420073246 /nfs/dbraw/zinc/07/32/46/420073246.db2.gz VKXGVNGOAFQCGS-GOSISDBHSA-N 2 1 313.449 1.020 20 30 DDEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)CCC#N)C2)CC1 ZINC000569931992 421628866 /nfs/dbraw/zinc/62/88/66/421628866.db2.gz RXPKDTISBOUDMJ-SJLPKXTDSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)CCC#N)C2)CC1 ZINC000569931992 421628868 /nfs/dbraw/zinc/62/88/68/421628868.db2.gz RXPKDTISBOUDMJ-SJLPKXTDSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)CCC#N)C2)CC1 ZINC000569931992 421628870 /nfs/dbraw/zinc/62/88/70/421628870.db2.gz RXPKDTISBOUDMJ-SJLPKXTDSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)CCC#N)C2)CC1 ZINC000569931992 421628871 /nfs/dbraw/zinc/62/88/71/421628871.db2.gz RXPKDTISBOUDMJ-SJLPKXTDSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000573437826 421965319 /nfs/dbraw/zinc/96/53/19/421965319.db2.gz MVQKESUGAPNMGG-IRXDYDNUSA-N 2 1 310.486 1.150 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CC3)CC2)CC1 ZINC000573739125 422006223 /nfs/dbraw/zinc/00/62/23/422006223.db2.gz CVKLUVHKAIKWNR-UHFFFAOYSA-N 2 1 304.438 1.355 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)nn1 ZINC000655940082 424694670 /nfs/dbraw/zinc/69/46/70/424694670.db2.gz OVLZYCVYNPIBNO-NVXWUHKLSA-N 2 1 319.453 1.573 20 30 DDEDMP N#CCNC(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310033301 333216335 /nfs/dbraw/zinc/21/63/35/333216335.db2.gz YZDPGZPYIFZAKO-IAGOWNOFSA-N 2 1 312.417 1.080 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000247548711 341367292 /nfs/dbraw/zinc/36/72/92/341367292.db2.gz PRTRKQWERGEJDJ-WBVHZDCISA-N 2 1 308.470 1.847 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343764186 526596106 /nfs/dbraw/zinc/59/61/06/526596106.db2.gz WQTQWNFKSWJVNS-HOCLYGCPSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000491667510 526809573 /nfs/dbraw/zinc/80/95/73/526809573.db2.gz IKIMHSXGODEZHT-UHFFFAOYSA-N 2 1 306.454 1.211 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000971678858 695060530 /nfs/dbraw/zinc/06/05/30/695060530.db2.gz PJTSPODLKHLNMM-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000971678858 695060534 /nfs/dbraw/zinc/06/05/34/695060534.db2.gz PJTSPODLKHLNMM-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861058 695111433 /nfs/dbraw/zinc/11/14/33/695111433.db2.gz HSFNGEHJUDGQEF-AWEZNQCLSA-N 2 1 311.857 1.900 20 30 DDEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000971861058 695111436 /nfs/dbraw/zinc/11/14/36/695111436.db2.gz HSFNGEHJUDGQEF-AWEZNQCLSA-N 2 1 311.857 1.900 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974580296 695689578 /nfs/dbraw/zinc/68/95/78/695689578.db2.gz SBZLFSXCZVZZTJ-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974580296 695689580 /nfs/dbraw/zinc/68/95/80/695689580.db2.gz SBZLFSXCZVZZTJ-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974580296 695689583 /nfs/dbraw/zinc/68/95/83/695689583.db2.gz SBZLFSXCZVZZTJ-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974580296 695689584 /nfs/dbraw/zinc/68/95/84/695689584.db2.gz SBZLFSXCZVZZTJ-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974755405 695727576 /nfs/dbraw/zinc/72/75/76/695727576.db2.gz AKMWMWCJSVPROG-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974755405 695727579 /nfs/dbraw/zinc/72/75/79/695727579.db2.gz AKMWMWCJSVPROG-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974755405 695727582 /nfs/dbraw/zinc/72/75/82/695727582.db2.gz AKMWMWCJSVPROG-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974755405 695727585 /nfs/dbraw/zinc/72/75/85/695727585.db2.gz AKMWMWCJSVPROG-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974760892 695728387 /nfs/dbraw/zinc/72/83/87/695728387.db2.gz WRQRDXXWDBQJRP-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974760892 695728389 /nfs/dbraw/zinc/72/83/89/695728389.db2.gz WRQRDXXWDBQJRP-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974760892 695728390 /nfs/dbraw/zinc/72/83/90/695728390.db2.gz WRQRDXXWDBQJRP-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974760892 695728392 /nfs/dbraw/zinc/72/83/92/695728392.db2.gz WRQRDXXWDBQJRP-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877397 695751605 /nfs/dbraw/zinc/75/16/05/695751605.db2.gz SGQGZAQCOGFZRX-CVEARBPZSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978794769 696459470 /nfs/dbraw/zinc/45/94/70/696459470.db2.gz FJAQNUAYBMOBBM-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978794769 696459471 /nfs/dbraw/zinc/45/94/71/696459471.db2.gz FJAQNUAYBMOBBM-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978794769 696459473 /nfs/dbraw/zinc/45/94/73/696459473.db2.gz FJAQNUAYBMOBBM-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980080895 696684674 /nfs/dbraw/zinc/68/46/74/696684674.db2.gz CEWNRHVVRKCNGH-GVDBMIGSSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC000980141054 696690553 /nfs/dbraw/zinc/69/05/53/696690553.db2.gz LTJOKLAOOGFFRC-BBWFWOEESA-N 2 1 322.412 1.798 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980158291 696696152 /nfs/dbraw/zinc/69/61/52/696696152.db2.gz CBLJMCDRPSZTCL-BBWFWOEESA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980158291 696696154 /nfs/dbraw/zinc/69/61/54/696696154.db2.gz CBLJMCDRPSZTCL-BBWFWOEESA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980158291 696696157 /nfs/dbraw/zinc/69/61/57/696696157.db2.gz CBLJMCDRPSZTCL-BBWFWOEESA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013207 697002552 /nfs/dbraw/zinc/00/25/52/697002552.db2.gz OEQGDQHDOBVSTH-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013207 697002555 /nfs/dbraw/zinc/00/25/55/697002555.db2.gz OEQGDQHDOBVSTH-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013207 697002558 /nfs/dbraw/zinc/00/25/58/697002558.db2.gz OEQGDQHDOBVSTH-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162558 697046078 /nfs/dbraw/zinc/04/60/78/697046078.db2.gz UEESCDWIJURDKG-UHFFFAOYSA-N 2 1 317.477 1.810 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553091 697149150 /nfs/dbraw/zinc/14/91/50/697149150.db2.gz HJLMFGYUUKQUON-JFRXWTBNSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553091 697149151 /nfs/dbraw/zinc/14/91/51/697149151.db2.gz HJLMFGYUUKQUON-JFRXWTBNSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553091 697149152 /nfs/dbraw/zinc/14/91/52/697149152.db2.gz HJLMFGYUUKQUON-JFRXWTBNSA-N 2 1 319.493 1.931 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)NC[C@@H]1CCCO1 ZINC000172240861 697365835 /nfs/dbraw/zinc/36/58/35/697365835.db2.gz TXYGRFQLSNKMOA-SJORKVTESA-N 2 1 316.449 1.734 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000985472086 697516734 /nfs/dbraw/zinc/51/67/34/697516734.db2.gz ZJWHHNXHOVLYNX-SFHVURJKSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000985472086 697516735 /nfs/dbraw/zinc/51/67/35/697516735.db2.gz ZJWHHNXHOVLYNX-SFHVURJKSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000985472086 697516736 /nfs/dbraw/zinc/51/67/36/697516736.db2.gz ZJWHHNXHOVLYNX-SFHVURJKSA-N 2 1 317.477 1.949 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190528249 697592688 /nfs/dbraw/zinc/59/26/88/697592688.db2.gz HXAWBBSXOWNWLL-DOTOQJQBSA-N 2 1 318.465 1.980 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190528279 697592711 /nfs/dbraw/zinc/59/27/11/697592711.db2.gz HXAWBBSXOWNWLL-RDJZCZTQSA-N 2 1 318.465 1.980 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000987190917 698028561 /nfs/dbraw/zinc/02/85/61/698028561.db2.gz KVDHGQWWLULMDN-ZIAGYGMSSA-N 2 1 315.845 1.040 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261632066 698430263 /nfs/dbraw/zinc/43/02/63/698430263.db2.gz JQZCIZADYNUFIX-BVUBDWEXSA-N 2 1 318.465 1.346 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261632066 698430266 /nfs/dbraw/zinc/43/02/66/698430266.db2.gz JQZCIZADYNUFIX-BVUBDWEXSA-N 2 1 318.465 1.346 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccccc2C#N)C1 ZINC000779653252 698449266 /nfs/dbraw/zinc/44/92/66/698449266.db2.gz WATHEGLXFQENKC-OAHLLOKOSA-N 2 1 302.378 1.666 20 30 DDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccccc2C#N)C1 ZINC000779653252 698449268 /nfs/dbraw/zinc/44/92/68/698449268.db2.gz WATHEGLXFQENKC-OAHLLOKOSA-N 2 1 302.378 1.666 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743138 698748319 /nfs/dbraw/zinc/74/83/19/698748319.db2.gz AOSNLFDXTVFDLH-SFHVURJKSA-N 2 1 313.445 1.847 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743138 698748320 /nfs/dbraw/zinc/74/83/20/698748320.db2.gz AOSNLFDXTVFDLH-SFHVURJKSA-N 2 1 313.445 1.847 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000806905785 701453581 /nfs/dbraw/zinc/45/35/81/701453581.db2.gz XCRUXPWTDJUODS-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000843423807 702878413 /nfs/dbraw/zinc/87/84/13/702878413.db2.gz KDJVBXADTIWCTE-INIZCTEOSA-N 2 1 313.449 1.464 20 30 DDEDMP C#CC[C@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000843423807 702878416 /nfs/dbraw/zinc/87/84/16/702878416.db2.gz KDJVBXADTIWCTE-INIZCTEOSA-N 2 1 313.449 1.464 20 30 DDEDMP C#C[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](C#C)C3)COC2)C1 ZINC000847021975 703366989 /nfs/dbraw/zinc/36/69/89/703366989.db2.gz QYUJFVRYEDOEKA-ROUUACIJSA-N 2 1 300.446 1.693 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)c(OC)c1 ZINC000849029303 703612832 /nfs/dbraw/zinc/61/28/32/703612832.db2.gz HWUGEAGHYUZZKT-HNNXBMFYSA-N 2 1 315.421 1.665 20 30 DDEDMP C#CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000820086447 704219070 /nfs/dbraw/zinc/21/90/70/704219070.db2.gz DLAKXWFPLKJEIJ-IRXDYDNUSA-N 2 1 322.497 1.703 20 30 DDEDMP C#CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000820086447 704219071 /nfs/dbraw/zinc/21/90/71/704219071.db2.gz DLAKXWFPLKJEIJ-IRXDYDNUSA-N 2 1 322.497 1.703 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000855735543 704499844 /nfs/dbraw/zinc/49/98/44/704499844.db2.gz UPCBZYLJAALSJH-SFHVURJKSA-N 2 1 315.461 1.880 20 30 DDEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000878868491 706520676 /nfs/dbraw/zinc/52/06/76/706520676.db2.gz QLBWULBYSDRWNF-SFHVURJKSA-N 2 1 317.433 1.716 20 30 DDEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000878868491 706520679 /nfs/dbraw/zinc/52/06/79/706520679.db2.gz QLBWULBYSDRWNF-SFHVURJKSA-N 2 1 317.433 1.716 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000836347736 707444667 /nfs/dbraw/zinc/44/46/67/707444667.db2.gz IUDQGMDHLCGJRG-IXDOHACOSA-N 2 1 322.497 1.607 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000836347736 707444673 /nfs/dbraw/zinc/44/46/73/707444673.db2.gz IUDQGMDHLCGJRG-IXDOHACOSA-N 2 1 322.497 1.607 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000836347736 707444677 /nfs/dbraw/zinc/44/46/77/707444677.db2.gz IUDQGMDHLCGJRG-IXDOHACOSA-N 2 1 322.497 1.607 20 30 DDEDMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884316281 708240635 /nfs/dbraw/zinc/24/06/35/708240635.db2.gz OETDPQJGLJRWNG-CFFMVQJASA-N 2 1 316.449 1.068 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000900331146 709541866 /nfs/dbraw/zinc/54/18/66/709541866.db2.gz CAABHJVKIPGIBL-UHFFFAOYSA-N 2 1 313.405 1.700 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000900481128 709616456 /nfs/dbraw/zinc/61/64/56/709616456.db2.gz NOINOLICLSSWHP-KRWDZBQOSA-N 3 1 324.513 1.369 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000890373269 709844706 /nfs/dbraw/zinc/84/47/06/709844706.db2.gz SFBRWFDVXIGIFP-INIZCTEOSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000890373269 709844710 /nfs/dbraw/zinc/84/47/10/709844710.db2.gz SFBRWFDVXIGIFP-INIZCTEOSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891921247 710328197 /nfs/dbraw/zinc/32/81/97/710328197.db2.gz LKERNVACRMVABL-QGZVFWFLSA-N 2 1 316.449 1.201 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000914074459 713338718 /nfs/dbraw/zinc/33/87/18/713338718.db2.gz FWSROUQMKXSJJT-JKSUJKDBSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC1CC[NH+](CC(=O)NC[C@H](C)[NH+]2CCC(C#C)CC2)CC1 ZINC000930821775 713928776 /nfs/dbraw/zinc/92/87/76/713928776.db2.gz PDSIJMRPRIFFCE-INIZCTEOSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000923191991 714266647 /nfs/dbraw/zinc/26/66/47/714266647.db2.gz FNMDAZDWWIFDAP-OAHLLOKOSA-N 2 1 320.481 1.598 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000923356789 714325839 /nfs/dbraw/zinc/32/58/39/714325839.db2.gz UOZZNLGDJQYCLO-WMZOPIPTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000923356789 714325842 /nfs/dbraw/zinc/32/58/42/714325842.db2.gz UOZZNLGDJQYCLO-WMZOPIPTSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961224639 716868644 /nfs/dbraw/zinc/86/86/44/716868644.db2.gz YPNSSEBERSPMGL-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940647209 716895286 /nfs/dbraw/zinc/89/52/86/716895286.db2.gz NPQMWVZKSFUMAZ-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940647209 716895293 /nfs/dbraw/zinc/89/52/93/716895293.db2.gz NPQMWVZKSFUMAZ-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647209 716895298 /nfs/dbraw/zinc/89/52/98/716895298.db2.gz NPQMWVZKSFUMAZ-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647209 716895304 /nfs/dbraw/zinc/89/53/04/716895304.db2.gz NPQMWVZKSFUMAZ-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCC=C)CC1(C)C ZINC000940807448 716969961 /nfs/dbraw/zinc/96/99/61/716969961.db2.gz PHHIVNXLEWQLIN-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC=C)CC1(C)C ZINC000940807448 716969964 /nfs/dbraw/zinc/96/99/64/716969964.db2.gz PHHIVNXLEWQLIN-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC=C)CC1(C)C ZINC000940807448 716969968 /nfs/dbraw/zinc/96/99/68/716969968.db2.gz PHHIVNXLEWQLIN-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCC=C)CC1(C)C ZINC000940807448 716969972 /nfs/dbraw/zinc/96/99/72/716969972.db2.gz PHHIVNXLEWQLIN-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC)CC1 ZINC000963472502 717803031 /nfs/dbraw/zinc/80/30/31/717803031.db2.gz UQUVHKQENXWZNE-JCYILVPMSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC)CC1 ZINC000963472502 717803032 /nfs/dbraw/zinc/80/30/32/717803032.db2.gz UQUVHKQENXWZNE-JCYILVPMSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C[C@H]2C)CC1 ZINC000945181515 718416022 /nfs/dbraw/zinc/41/60/22/718416022.db2.gz NUFVOJCZYFXUTO-QAPCUYQASA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536702 718822885 /nfs/dbraw/zinc/82/28/85/718822885.db2.gz VAGMVHDVMUINSF-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536702 718822889 /nfs/dbraw/zinc/82/28/89/718822889.db2.gz VAGMVHDVMUINSF-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536702 718822895 /nfs/dbraw/zinc/82/28/95/718822895.db2.gz VAGMVHDVMUINSF-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536702 718822902 /nfs/dbraw/zinc/82/29/02/718822902.db2.gz VAGMVHDVMUINSF-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946751959 718898105 /nfs/dbraw/zinc/89/81/05/718898105.db2.gz MHANCDZXEOZPDZ-HDICACEKSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947557497 719211008 /nfs/dbraw/zinc/21/10/08/719211008.db2.gz YIGRITXFJKXBCI-LSDHHAIUSA-N 2 1 316.449 1.917 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947557497 719211009 /nfs/dbraw/zinc/21/10/09/719211009.db2.gz YIGRITXFJKXBCI-LSDHHAIUSA-N 2 1 316.449 1.917 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947852450 719289992 /nfs/dbraw/zinc/28/99/92/719289992.db2.gz JRDIILMBGHKMIP-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC(=C)C)CC1 ZINC000948449706 719505428 /nfs/dbraw/zinc/50/54/28/719505428.db2.gz VRFIMCAVMMWPPZ-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC000948449706 719505431 /nfs/dbraw/zinc/50/54/31/719505431.db2.gz VRFIMCAVMMWPPZ-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(=C)C)CC1 ZINC000948449706 719505432 /nfs/dbraw/zinc/50/54/32/719505432.db2.gz VRFIMCAVMMWPPZ-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC(=C)C)CC1 ZINC000948449706 719505437 /nfs/dbraw/zinc/50/54/37/719505437.db2.gz VRFIMCAVMMWPPZ-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948542597 719539303 /nfs/dbraw/zinc/53/93/03/719539303.db2.gz TXUGKPHIXXNLBM-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948542597 719539304 /nfs/dbraw/zinc/53/93/04/719539304.db2.gz TXUGKPHIXXNLBM-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948542597 719539306 /nfs/dbraw/zinc/53/93/06/719539306.db2.gz TXUGKPHIXXNLBM-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948542597 719539307 /nfs/dbraw/zinc/53/93/07/719539307.db2.gz TXUGKPHIXXNLBM-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000968683038 719734820 /nfs/dbraw/zinc/73/48/20/719734820.db2.gz XOXJQFKDJWLBPQ-WMZOPIPTSA-N 2 1 315.461 1.182 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000949383149 720051519 /nfs/dbraw/zinc/05/15/19/720051519.db2.gz YONXLCCQRJDNQF-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000949383149 720051524 /nfs/dbraw/zinc/05/15/24/720051524.db2.gz YONXLCCQRJDNQF-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000950089981 720485940 /nfs/dbraw/zinc/48/59/40/720485940.db2.gz RUSONPSZFDBVOF-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000950089981 720485943 /nfs/dbraw/zinc/48/59/43/720485943.db2.gz RUSONPSZFDBVOF-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969956955 720575556 /nfs/dbraw/zinc/57/55/56/720575556.db2.gz BOPFJTZYBHHZES-IJEWVQPXSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969956955 720575557 /nfs/dbraw/zinc/57/55/57/720575557.db2.gz BOPFJTZYBHHZES-IJEWVQPXSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338976 720718943 /nfs/dbraw/zinc/71/89/43/720718943.db2.gz QDEDDBFKOLMIBE-UKRRQHHQSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970712712 720903406 /nfs/dbraw/zinc/90/34/06/720903406.db2.gz CARZUEVWBPIMQQ-CQSZACIVSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001100405825 732466454 /nfs/dbraw/zinc/46/64/54/732466454.db2.gz OFEPHFFMFRJXMP-LEOMRAHMSA-N 2 1 317.477 1.901 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)Cc2cnc[nH]2)c(F)c1 ZINC001167355724 733282940 /nfs/dbraw/zinc/28/29/40/733282940.db2.gz XLXYBMLPXKWMTJ-UHFFFAOYSA-N 2 1 315.352 1.259 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247202 733367500 /nfs/dbraw/zinc/36/75/00/733367500.db2.gz UVWPOAQZWSFNDQ-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021897543 733650974 /nfs/dbraw/zinc/65/09/74/733650974.db2.gz MHRQPMMPIZESJC-BBWFWOEESA-N 2 1 312.417 1.389 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355161 733708046 /nfs/dbraw/zinc/70/80/46/733708046.db2.gz PUSARAKDJGZWHM-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001022220442 734438731 /nfs/dbraw/zinc/43/87/31/734438731.db2.gz DBELASKAKTWEPK-BBWFWOEESA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1 ZINC001022220442 734438736 /nfs/dbraw/zinc/43/87/36/734438736.db2.gz DBELASKAKTWEPK-BBWFWOEESA-N 2 1 303.450 1.511 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567891 738846453 /nfs/dbraw/zinc/84/64/53/738846453.db2.gz FKOSSCJHCHFNFH-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207567891 738846454 /nfs/dbraw/zinc/84/64/54/738846454.db2.gz FKOSSCJHCHFNFH-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207567891 738846458 /nfs/dbraw/zinc/84/64/58/738846458.db2.gz FKOSSCJHCHFNFH-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027965641 738875160 /nfs/dbraw/zinc/87/51/60/738875160.db2.gz ZPVPONQZAKKFAS-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023291443 735138375 /nfs/dbraw/zinc/13/83/75/735138375.db2.gz HDPXSPQIHHYCCY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023291443 735138376 /nfs/dbraw/zinc/13/83/76/735138376.db2.gz HDPXSPQIHHYCCY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291443 735138378 /nfs/dbraw/zinc/13/83/78/735138378.db2.gz HDPXSPQIHHYCCY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291443 735138380 /nfs/dbraw/zinc/13/83/80/735138380.db2.gz HDPXSPQIHHYCCY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCC)C1 ZINC001023423558 735224647 /nfs/dbraw/zinc/22/46/47/735224647.db2.gz ZKGIGIHGULGGEJ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCC)C1 ZINC001023423558 735224651 /nfs/dbraw/zinc/22/46/51/735224651.db2.gz ZKGIGIHGULGGEJ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC)C1 ZINC001023423558 735224655 /nfs/dbraw/zinc/22/46/55/735224655.db2.gz ZKGIGIHGULGGEJ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC)C1 ZINC001023423558 735224660 /nfs/dbraw/zinc/22/46/60/735224660.db2.gz ZKGIGIHGULGGEJ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001023422440 735226076 /nfs/dbraw/zinc/22/60/76/735226076.db2.gz NIMMORJECQZBLD-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=C)C)C1 ZINC001023422440 735226079 /nfs/dbraw/zinc/22/60/79/735226079.db2.gz NIMMORJECQZBLD-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=C)C)C1 ZINC001023422440 735226083 /nfs/dbraw/zinc/22/60/83/735226083.db2.gz NIMMORJECQZBLD-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC(=C)C)C1 ZINC001023422440 735226086 /nfs/dbraw/zinc/22/60/86/735226086.db2.gz NIMMORJECQZBLD-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001024522091 735897931 /nfs/dbraw/zinc/89/79/31/735897931.db2.gz ZOXWKXJMFCKUTG-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531209 735905745 /nfs/dbraw/zinc/90/57/45/735905745.db2.gz ONSWWZJLUZQFCY-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531209 735905746 /nfs/dbraw/zinc/90/57/46/735905746.db2.gz ONSWWZJLUZQFCY-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027986601 738909847 /nfs/dbraw/zinc/90/98/47/738909847.db2.gz ZKNGZJOBSVUXBC-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986601 738909850 /nfs/dbraw/zinc/90/98/50/738909850.db2.gz ZKNGZJOBSVUXBC-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986601 738909851 /nfs/dbraw/zinc/90/98/51/738909851.db2.gz ZKNGZJOBSVUXBC-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293162 736410831 /nfs/dbraw/zinc/41/08/31/736410831.db2.gz AYYVMRVIKVJDIZ-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296732 736413860 /nfs/dbraw/zinc/41/38/60/736413860.db2.gz VNRPQDFQOHEYMK-IRXDYDNUSA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296732 736413863 /nfs/dbraw/zinc/41/38/63/736413863.db2.gz VNRPQDFQOHEYMK-IRXDYDNUSA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC001025624065 736793395 /nfs/dbraw/zinc/79/33/95/736793395.db2.gz AYGPTMZNLVQIAG-AEFFLSMTSA-N 2 1 315.461 1.182 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025782069 736851568 /nfs/dbraw/zinc/85/15/68/736851568.db2.gz YELPHDLCMRDFLX-WKULXVSPSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025782069 736851571 /nfs/dbraw/zinc/85/15/71/736851571.db2.gz YELPHDLCMRDFLX-WKULXVSPSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025782069 736851574 /nfs/dbraw/zinc/85/15/74/736851574.db2.gz YELPHDLCMRDFLX-WKULXVSPSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001020150395 736999195 /nfs/dbraw/zinc/99/91/95/736999195.db2.gz SHDLSMNDIUPIKQ-KBUPBQIOSA-N 2 1 311.857 1.850 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104794002 737213343 /nfs/dbraw/zinc/21/33/43/737213343.db2.gz TUCKESXNERBULU-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013444 737456155 /nfs/dbraw/zinc/45/61/55/737456155.db2.gz NEZQNWLSDLTHBP-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001027546038 738391624 /nfs/dbraw/zinc/39/16/24/738391624.db2.gz IEWKDUVUTMWBOX-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027546038 738391628 /nfs/dbraw/zinc/39/16/28/738391628.db2.gz IEWKDUVUTMWBOX-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027546038 738391631 /nfs/dbraw/zinc/39/16/31/738391631.db2.gz IEWKDUVUTMWBOX-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546038 738391633 /nfs/dbraw/zinc/39/16/33/738391633.db2.gz IEWKDUVUTMWBOX-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546038 738391635 /nfs/dbraw/zinc/39/16/35/738391635.db2.gz IEWKDUVUTMWBOX-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000997976833 751436180 /nfs/dbraw/zinc/43/61/80/751436180.db2.gz OGMLHIRSMZRDQM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595441 739763986 /nfs/dbraw/zinc/76/39/86/739763986.db2.gz YUVUPIZGDVNANV-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595441 739763989 /nfs/dbraw/zinc/76/39/89/739763989.db2.gz YUVUPIZGDVNANV-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595441 739763992 /nfs/dbraw/zinc/76/39/92/739763992.db2.gz YUVUPIZGDVNANV-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)[C@H]1CC ZINC001087631396 740684373 /nfs/dbraw/zinc/68/43/73/740684373.db2.gz YGHBAZGZSYOBEC-UKPHBRMFSA-N 2 1 316.449 1.978 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998177312 751568802 /nfs/dbraw/zinc/56/88/02/751568802.db2.gz SGHBBDTWCCHISN-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168028967 740790576 /nfs/dbraw/zinc/79/05/76/740790576.db2.gz BACQRHWVBVSNPN-JKSUJKDBSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311816 741371814 /nfs/dbraw/zinc/37/18/14/741371814.db2.gz HOOREIMSKAFWRK-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC)C1 ZINC001088329512 741393064 /nfs/dbraw/zinc/39/30/64/741393064.db2.gz ZPYMWEVSBNGYKT-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC)C1 ZINC001088329512 741393066 /nfs/dbraw/zinc/39/30/66/741393066.db2.gz ZPYMWEVSBNGYKT-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001088335700 741408734 /nfs/dbraw/zinc/40/87/34/741408734.db2.gz KXWBYHQYWSFUGU-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001088335700 741408735 /nfs/dbraw/zinc/40/87/35/741408735.db2.gz KXWBYHQYWSFUGU-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521631 742454801 /nfs/dbraw/zinc/45/48/01/742454801.db2.gz BEIBTFDLEXEUPT-ZACQAIPSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521631 742454803 /nfs/dbraw/zinc/45/48/03/742454803.db2.gz BEIBTFDLEXEUPT-ZACQAIPSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521631 742454806 /nfs/dbraw/zinc/45/48/06/742454806.db2.gz BEIBTFDLEXEUPT-ZACQAIPSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174378 742584219 /nfs/dbraw/zinc/58/42/19/742584219.db2.gz JNVABSRLCYHPFZ-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174378 742584221 /nfs/dbraw/zinc/58/42/21/742584221.db2.gz JNVABSRLCYHPFZ-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174378 742584225 /nfs/dbraw/zinc/58/42/25/742584225.db2.gz JNVABSRLCYHPFZ-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174378 742584229 /nfs/dbraw/zinc/58/42/29/742584229.db2.gz JNVABSRLCYHPFZ-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4ccncc4)c3)[C@@H]2C1 ZINC001076406300 742709442 /nfs/dbraw/zinc/70/94/42/742709442.db2.gz CGVQYNLNINKTBZ-WMLDXEAASA-N 2 1 323.400 1.600 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001076406300 742709445 /nfs/dbraw/zinc/70/94/45/742709445.db2.gz CGVQYNLNINKTBZ-WMLDXEAASA-N 2 1 323.400 1.600 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001002090188 742855915 /nfs/dbraw/zinc/85/59/15/742855915.db2.gz UHOQOVWAOHBJOK-SFHVURJKSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001181736753 743336892 /nfs/dbraw/zinc/33/68/92/743336892.db2.gz VBMZYYGMVSRKHU-CRAIPNDOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035733319 751826325 /nfs/dbraw/zinc/82/63/25/751826325.db2.gz YTEKPVNQORHHBV-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182806822 743729031 /nfs/dbraw/zinc/72/90/31/743729031.db2.gz NGDNWDFSUUQBDG-ZIFCJYIRSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCCN1CC(OC2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001105731480 743767153 /nfs/dbraw/zinc/76/71/53/743767153.db2.gz RLOWBAAYQWDEAS-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001105731480 743767156 /nfs/dbraw/zinc/76/71/56/743767156.db2.gz RLOWBAAYQWDEAS-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001105731480 743767160 /nfs/dbraw/zinc/76/71/60/743767160.db2.gz RLOWBAAYQWDEAS-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089930288 751860061 /nfs/dbraw/zinc/86/00/61/751860061.db2.gz ZADVHBOGYIPBFD-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089930288 751860071 /nfs/dbraw/zinc/86/00/71/751860071.db2.gz ZADVHBOGYIPBFD-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089930288 751860078 /nfs/dbraw/zinc/86/00/78/751860078.db2.gz ZADVHBOGYIPBFD-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001183354104 743821636 /nfs/dbraw/zinc/82/16/36/743821636.db2.gz PPZLTJDESDWWSF-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001183354104 743821637 /nfs/dbraw/zinc/82/16/37/743821637.db2.gz PPZLTJDESDWWSF-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185170509 744170844 /nfs/dbraw/zinc/17/08/44/744170844.db2.gz QDRGNGBYFUOBML-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185213821 744181257 /nfs/dbraw/zinc/18/12/57/744181257.db2.gz MSZPTRFMTJYTQY-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168416675 744332016 /nfs/dbraw/zinc/33/20/16/744332016.db2.gz AZKXQFJCIIEOFR-UHFFFAOYSA-N 2 1 311.470 1.551 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001186349423 744381361 /nfs/dbraw/zinc/38/13/61/744381361.db2.gz QEMJQGWEZGHLHY-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945033 744393311 /nfs/dbraw/zinc/39/33/11/744393311.db2.gz MJUHTOQCCMAZIW-PBHICJAKSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945033 744393315 /nfs/dbraw/zinc/39/33/15/744393315.db2.gz MJUHTOQCCMAZIW-PBHICJAKSA-N 2 1 323.400 1.483 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089053496 744475725 /nfs/dbraw/zinc/47/57/25/744475725.db2.gz YSRHWALGPBETJE-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089053496 744475729 /nfs/dbraw/zinc/47/57/29/744475729.db2.gz YSRHWALGPBETJE-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053496 744475730 /nfs/dbraw/zinc/47/57/30/744475730.db2.gz YSRHWALGPBETJE-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053496 744475734 /nfs/dbraw/zinc/47/57/34/744475734.db2.gz YSRHWALGPBETJE-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992486824 744912332 /nfs/dbraw/zinc/91/23/32/744912332.db2.gz LGNYHHMXMJTHAK-DOTOQJQBSA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992486824 744912337 /nfs/dbraw/zinc/91/23/37/744912337.db2.gz LGNYHHMXMJTHAK-DOTOQJQBSA-N 2 1 302.422 1.881 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992500270 744922062 /nfs/dbraw/zinc/92/20/62/744922062.db2.gz JYXXGOUUYGPCKL-WBVHZDCISA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992500270 744922066 /nfs/dbraw/zinc/92/20/66/744922066.db2.gz JYXXGOUUYGPCKL-WBVHZDCISA-N 2 1 300.406 1.328 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655533 745286882 /nfs/dbraw/zinc/28/68/82/745286882.db2.gz PVLWEGWUJIKNAO-HZPDHXFCSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001194118895 746279416 /nfs/dbraw/zinc/27/94/16/746279416.db2.gz KTLGPIZWASOXPS-HZPDHXFCSA-N 2 1 314.389 1.304 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC#CC)[C@H]2C)CC1 ZINC000994491985 746690144 /nfs/dbraw/zinc/69/01/44/746690144.db2.gz AZQZHKVIAZMOQV-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001196185535 746786997 /nfs/dbraw/zinc/78/69/97/746786997.db2.gz XWESHWUICVCVHL-ARFHVFGLSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001196185535 746787000 /nfs/dbraw/zinc/78/70/00/746787000.db2.gz XWESHWUICVCVHL-ARFHVFGLSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001196185535 746787005 /nfs/dbraw/zinc/78/70/05/746787005.db2.gz XWESHWUICVCVHL-ARFHVFGLSA-N 2 1 323.481 1.234 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089488810 747071592 /nfs/dbraw/zinc/07/15/92/747071592.db2.gz YFRBOQOJOXLNIX-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089488810 747071602 /nfs/dbraw/zinc/07/16/02/747071602.db2.gz YFRBOQOJOXLNIX-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089488810 747071612 /nfs/dbraw/zinc/07/16/12/747071612.db2.gz YFRBOQOJOXLNIX-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001007495020 752172151 /nfs/dbraw/zinc/17/21/51/752172151.db2.gz HHSAZUHQDSMHFU-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001036109328 752179080 /nfs/dbraw/zinc/17/90/80/752179080.db2.gz AZAYQTAGDLRZEG-RISCZKNCSA-N 2 1 310.829 1.771 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407695 752199866 /nfs/dbraw/zinc/19/98/66/752199866.db2.gz CXHAIHHIZXTSOL-BZUAXINKSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001003940170 747796976 /nfs/dbraw/zinc/79/69/76/747796976.db2.gz IGARQUCYGHQYNO-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200851594 748359186 /nfs/dbraw/zinc/35/91/86/748359186.db2.gz PNIHIZVRCMNBEL-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201044651 748407097 /nfs/dbraw/zinc/40/70/97/748407097.db2.gz ZZOVTCZEQYFXBX-QGZVFWFLSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201245008 748442209 /nfs/dbraw/zinc/44/22/09/748442209.db2.gz BVXXYAUWEBVRCB-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001201386246 748504584 /nfs/dbraw/zinc/50/45/84/748504584.db2.gz QNBJVCWXKPCBKC-UHFFFAOYSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CCCO1 ZINC001201420407 748509250 /nfs/dbraw/zinc/50/92/50/748509250.db2.gz JXFTWKWWDKLHSD-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032077885 748585370 /nfs/dbraw/zinc/58/53/70/748585370.db2.gz DRSWRACDZBLSKV-UHFFFAOYSA-N 2 1 311.389 1.505 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618014 748594634 /nfs/dbraw/zinc/59/46/34/748594634.db2.gz VPXGJVSZUBFRGS-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004618014 748594637 /nfs/dbraw/zinc/59/46/37/748594637.db2.gz VPXGJVSZUBFRGS-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004618014 748594641 /nfs/dbraw/zinc/59/46/41/748594641.db2.gz VPXGJVSZUBFRGS-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033201450 748910318 /nfs/dbraw/zinc/91/03/18/748910318.db2.gz DACHBVHICLFJDM-GOEBONIOSA-N 2 1 300.406 1.002 20 30 DDEDMP CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033201450 748910322 /nfs/dbraw/zinc/91/03/22/748910322.db2.gz DACHBVHICLFJDM-GOEBONIOSA-N 2 1 300.406 1.002 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)Cl)C(C)(C)C1 ZINC000995925261 749291630 /nfs/dbraw/zinc/29/16/30/749291630.db2.gz RBHXCOZIYNKMKV-LSDHHAIUSA-N 2 1 323.868 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)Cl)C(C)(C)C1 ZINC000995925261 749291633 /nfs/dbraw/zinc/29/16/33/749291633.db2.gz RBHXCOZIYNKMKV-LSDHHAIUSA-N 2 1 323.868 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467373 749391791 /nfs/dbraw/zinc/39/17/91/749391791.db2.gz OAACEDSXYOIFNO-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033467373 749391797 /nfs/dbraw/zinc/39/17/97/749391797.db2.gz OAACEDSXYOIFNO-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001108342906 761958178 /nfs/dbraw/zinc/95/81/78/761958178.db2.gz KLLNACKFXDIAJG-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108342906 761958184 /nfs/dbraw/zinc/95/81/84/761958184.db2.gz KLLNACKFXDIAJG-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108342906 761958190 /nfs/dbraw/zinc/95/81/90/761958190.db2.gz KLLNACKFXDIAJG-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108342906 761958195 /nfs/dbraw/zinc/95/81/95/761958195.db2.gz KLLNACKFXDIAJG-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684961 749714177 /nfs/dbraw/zinc/71/41/77/749714177.db2.gz JUKLGZRCPIASFY-KRWDZBQOSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107436641 749955589 /nfs/dbraw/zinc/95/55/89/749955589.db2.gz ILGVDROKWDGPEW-JFIYKMOQSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033834125 749957942 /nfs/dbraw/zinc/95/79/42/749957942.db2.gz CNZPQOAWPTYDLR-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033834125 749957945 /nfs/dbraw/zinc/95/79/45/749957945.db2.gz CNZPQOAWPTYDLR-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033834125 749957950 /nfs/dbraw/zinc/95/79/50/749957950.db2.gz CNZPQOAWPTYDLR-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472698 750005313 /nfs/dbraw/zinc/00/53/13/750005313.db2.gz CNYFMRXSIJSXCF-NVXWUHKLSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472698 750005315 /nfs/dbraw/zinc/00/53/15/750005315.db2.gz CNYFMRXSIJSXCF-NVXWUHKLSA-N 2 1 302.422 1.738 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095685580 750142796 /nfs/dbraw/zinc/14/27/96/750142796.db2.gz MSBBELUKIUPODR-PMPSAXMXSA-N 2 1 301.434 1.360 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095685580 750142800 /nfs/dbraw/zinc/14/28/00/750142800.db2.gz MSBBELUKIUPODR-PMPSAXMXSA-N 2 1 301.434 1.360 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960163 750187466 /nfs/dbraw/zinc/18/74/66/750187466.db2.gz ZMFKOLVCZXIKKM-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960163 750187469 /nfs/dbraw/zinc/18/74/69/750187469.db2.gz ZMFKOLVCZXIKKM-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005502995 750362371 /nfs/dbraw/zinc/36/23/71/750362371.db2.gz HANPCXYSDVHCAA-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC000997146453 750560522 /nfs/dbraw/zinc/56/05/22/750560522.db2.gz AUYHQDVOEKFJOE-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC000997146453 750560524 /nfs/dbraw/zinc/56/05/24/750560524.db2.gz AUYHQDVOEKFJOE-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039460551 762052099 /nfs/dbraw/zinc/05/20/99/762052099.db2.gz UZXXTCSDABGJAA-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460551 762052106 /nfs/dbraw/zinc/05/21/06/762052106.db2.gz UZXXTCSDABGJAA-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460551 762052115 /nfs/dbraw/zinc/05/21/15/762052115.db2.gz UZXXTCSDABGJAA-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001034733223 750779490 /nfs/dbraw/zinc/77/94/90/750779490.db2.gz SMBYTEFUTDDQHO-JYJNAYRXSA-N 2 1 314.433 1.404 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997408213 750916861 /nfs/dbraw/zinc/91/68/61/750916861.db2.gz FZKWOTJPKFYWLH-APWZRJJASA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997623829 751164458 /nfs/dbraw/zinc/16/44/58/751164458.db2.gz IESRGYYEWAXEFF-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997623829 751164461 /nfs/dbraw/zinc/16/44/61/751164461.db2.gz IESRGYYEWAXEFF-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035194497 751293398 /nfs/dbraw/zinc/29/33/98/751293398.db2.gz OSDAZMYHHZOYLC-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194497 751293403 /nfs/dbraw/zinc/29/34/03/751293403.db2.gz OSDAZMYHHZOYLC-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194497 751293407 /nfs/dbraw/zinc/29/34/07/751293407.db2.gz OSDAZMYHHZOYLC-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001036293270 752332527 /nfs/dbraw/zinc/33/25/27/752332527.db2.gz IKPVSVUAXCEEND-RISCZKNCSA-N 2 1 310.829 1.771 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000765969 762174339 /nfs/dbraw/zinc/17/43/39/762174339.db2.gz FQULVFJUVQEQJZ-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000765969 762174342 /nfs/dbraw/zinc/17/43/42/762174342.db2.gz FQULVFJUVQEQJZ-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000765969 762174345 /nfs/dbraw/zinc/17/43/45/762174345.db2.gz FQULVFJUVQEQJZ-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000999862453 753212617 /nfs/dbraw/zinc/21/26/17/753212617.db2.gz PFALEXZPUTYOLQ-JXQTWKCFSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000999862453 753212623 /nfs/dbraw/zinc/21/26/23/753212623.db2.gz PFALEXZPUTYOLQ-JXQTWKCFSA-N 2 1 315.845 1.039 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006120745 753616789 /nfs/dbraw/zinc/61/67/89/753616789.db2.gz RDXMSRNRXWIZOE-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H](C)F)CC1 ZINC001032800682 754078418 /nfs/dbraw/zinc/07/84/18/754078418.db2.gz UNCNQLJTFVOHHV-PVAVHDDUSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554474 755977149 /nfs/dbraw/zinc/97/71/49/755977149.db2.gz RFHGNIYBSJXBRV-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040235930 762450803 /nfs/dbraw/zinc/45/08/03/762450803.db2.gz IHEQGQUYGIDGJD-GOSISDBHSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242675 762455112 /nfs/dbraw/zinc/45/51/12/762455112.db2.gz ZIOLTHPMIURRNF-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619936 756418743 /nfs/dbraw/zinc/41/87/43/756418743.db2.gz FYMCQQMGANTEAW-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619936 756418744 /nfs/dbraw/zinc/41/87/44/756418744.db2.gz FYMCQQMGANTEAW-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015695877 756472574 /nfs/dbraw/zinc/47/25/74/756472574.db2.gz QZKSXITVSQEVOY-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015695877 756472576 /nfs/dbraw/zinc/47/25/76/756472576.db2.gz QZKSXITVSQEVOY-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015695877 756472579 /nfs/dbraw/zinc/47/25/79/756472579.db2.gz QZKSXITVSQEVOY-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015695877 756472581 /nfs/dbraw/zinc/47/25/81/756472581.db2.gz QZKSXITVSQEVOY-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015704958 756480543 /nfs/dbraw/zinc/48/05/43/756480543.db2.gz GNKODYXFQZNWKV-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015704958 756480545 /nfs/dbraw/zinc/48/05/45/756480545.db2.gz GNKODYXFQZNWKV-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295105 762480358 /nfs/dbraw/zinc/48/03/58/762480358.db2.gz BMYZTVZVKACXFQ-LJQANCHMSA-N 2 1 322.412 1.896 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318064 756732284 /nfs/dbraw/zinc/73/22/84/756732284.db2.gz WFWUUFKMTAJQHO-IAGOWNOFSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](OC)C1 ZINC001082318064 756732286 /nfs/dbraw/zinc/73/22/86/756732286.db2.gz WFWUUFKMTAJQHO-IAGOWNOFSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082559959 756853077 /nfs/dbraw/zinc/85/30/77/756853077.db2.gz USHMFXXEGNELDL-OIISXLGYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097215435 756984245 /nfs/dbraw/zinc/98/42/45/756984245.db2.gz XVBMVTBWPZYYDO-VQHPVUNQSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097215435 756984252 /nfs/dbraw/zinc/98/42/52/756984252.db2.gz XVBMVTBWPZYYDO-VQHPVUNQSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097215435 756984261 /nfs/dbraw/zinc/98/42/61/756984261.db2.gz XVBMVTBWPZYYDO-VQHPVUNQSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097215435 756984273 /nfs/dbraw/zinc/98/42/73/756984273.db2.gz XVBMVTBWPZYYDO-VQHPVUNQSA-N 2 1 303.450 1.319 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@@H](O)C1 ZINC001083939036 757192796 /nfs/dbraw/zinc/19/27/96/757192796.db2.gz VETKNIJMXJHFEF-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083939036 757192798 /nfs/dbraw/zinc/19/27/98/757192798.db2.gz VETKNIJMXJHFEF-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939036 757192805 /nfs/dbraw/zinc/19/28/05/757192805.db2.gz VETKNIJMXJHFEF-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939036 757192811 /nfs/dbraw/zinc/19/28/11/757192811.db2.gz VETKNIJMXJHFEF-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631784 757219887 /nfs/dbraw/zinc/21/98/87/757219887.db2.gz YQUJGHFCLMJZGL-XHSDSOJGSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016930002 757485009 /nfs/dbraw/zinc/48/50/09/757485009.db2.gz HTBFOQMYTIWVPL-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347514 757505501 /nfs/dbraw/zinc/50/55/01/757505501.db2.gz SQZMKGURVHWOOM-BRWVUGGUSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040490439 762557306 /nfs/dbraw/zinc/55/73/06/762557306.db2.gz ASYKXGQUSLPGIF-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040490439 762557309 /nfs/dbraw/zinc/55/73/09/762557309.db2.gz ASYKXGQUSLPGIF-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040490439 762557312 /nfs/dbraw/zinc/55/73/12/762557312.db2.gz ASYKXGQUSLPGIF-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084446039 757601666 /nfs/dbraw/zinc/60/16/66/757601666.db2.gz POIWIJZEQYOEHV-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851422 757976732 /nfs/dbraw/zinc/97/67/32/757976732.db2.gz BMZUXRKGBNYROV-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911259 758054708 /nfs/dbraw/zinc/05/47/08/758054708.db2.gz TYHVCELVFSEEQZ-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911259 758054717 /nfs/dbraw/zinc/05/47/17/758054717.db2.gz TYHVCELVFSEEQZ-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911259 758054729 /nfs/dbraw/zinc/05/47/29/758054729.db2.gz TYHVCELVFSEEQZ-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911259 758054740 /nfs/dbraw/zinc/05/47/40/758054740.db2.gz TYHVCELVFSEEQZ-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943461 758083864 /nfs/dbraw/zinc/08/38/64/758083864.db2.gz DWBKHFXAVHRWEF-VQHPVUNQSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084943461 758083869 /nfs/dbraw/zinc/08/38/69/758083869.db2.gz DWBKHFXAVHRWEF-VQHPVUNQSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084943461 758083873 /nfs/dbraw/zinc/08/38/73/758083873.db2.gz DWBKHFXAVHRWEF-VQHPVUNQSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084957879 758098080 /nfs/dbraw/zinc/09/80/80/758098080.db2.gz BWXPFMUQZXLYBJ-HYVNUMGLSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075191 758201820 /nfs/dbraw/zinc/20/18/20/758201820.db2.gz URPYDLXXVGDOKF-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075191 758201831 /nfs/dbraw/zinc/20/18/31/758201831.db2.gz URPYDLXXVGDOKF-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075191 758201842 /nfs/dbraw/zinc/20/18/42/758201842.db2.gz URPYDLXXVGDOKF-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040821447 762694958 /nfs/dbraw/zinc/69/49/58/762694958.db2.gz GXHACDMFZWAILX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054240962 759332538 /nfs/dbraw/zinc/33/25/38/759332538.db2.gz GWENHIFPFJYSGD-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CC1 ZINC001085646696 759928396 /nfs/dbraw/zinc/92/83/96/759928396.db2.gz MNCRGYGXMBTRKD-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001085646696 759928399 /nfs/dbraw/zinc/92/83/99/759928399.db2.gz MNCRGYGXMBTRKD-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CC1 ZINC001085646696 759928401 /nfs/dbraw/zinc/92/84/01/759928401.db2.gz MNCRGYGXMBTRKD-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC1CC1 ZINC001085646696 759928406 /nfs/dbraw/zinc/92/84/06/759928406.db2.gz MNCRGYGXMBTRKD-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098430762 761532947 /nfs/dbraw/zinc/53/29/47/761532947.db2.gz WIZLFNXOTLDOOG-UHFFFAOYSA-N 2 1 320.437 1.053 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001098430762 761532949 /nfs/dbraw/zinc/53/29/49/761532949.db2.gz WIZLFNXOTLDOOG-UHFFFAOYSA-N 2 1 320.437 1.053 20 30 DDEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000333344 761649185 /nfs/dbraw/zinc/64/91/85/761649185.db2.gz NNWWINKQXVCFBG-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128727 761765437 /nfs/dbraw/zinc/76/54/37/761765437.db2.gz YKOTXYLYOQJZQG-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128727 761765440 /nfs/dbraw/zinc/76/54/40/761765440.db2.gz YKOTXYLYOQJZQG-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128727 761765444 /nfs/dbraw/zinc/76/54/44/761765444.db2.gz YKOTXYLYOQJZQG-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039134652 761769167 /nfs/dbraw/zinc/76/91/67/761769167.db2.gz ADQMGPDAMZDCMU-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145142 761776860 /nfs/dbraw/zinc/77/68/60/761776860.db2.gz UTAGGCJSMOAQNG-KRWDZBQOSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039145142 761776864 /nfs/dbraw/zinc/77/68/64/761776864.db2.gz UTAGGCJSMOAQNG-KRWDZBQOSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717797 762874777 /nfs/dbraw/zinc/87/47/77/762874777.db2.gz VOJQSPBGDXPCAU-XHSDSOJGSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001001493196 762913301 /nfs/dbraw/zinc/91/33/01/762913301.db2.gz XFLFTAJNHKTFJH-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC2CC2)CC1 ZINC001001493196 762913304 /nfs/dbraw/zinc/91/33/04/762913304.db2.gz XFLFTAJNHKTFJH-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041274773 762926458 /nfs/dbraw/zinc/92/64/58/762926458.db2.gz BLCYXFLEJXKMKD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274773 762926460 /nfs/dbraw/zinc/92/64/60/762926460.db2.gz BLCYXFLEJXKMKD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274773 762926462 /nfs/dbraw/zinc/92/64/62/762926462.db2.gz BLCYXFLEJXKMKD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041358809 762979800 /nfs/dbraw/zinc/97/98/00/762979800.db2.gz QWZOBXMTBXSRDR-WMZOPIPTSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537006 763115518 /nfs/dbraw/zinc/11/55/18/763115518.db2.gz SOPVIZFKTMRGIJ-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042133864 763689293 /nfs/dbraw/zinc/68/92/93/763689293.db2.gz MJFUHVPSXXFCHH-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233534 763793202 /nfs/dbraw/zinc/79/32/02/763793202.db2.gz FZYCZODHKZHIBY-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233534 763793206 /nfs/dbraw/zinc/79/32/06/763793206.db2.gz FZYCZODHKZHIBY-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233534 763793210 /nfs/dbraw/zinc/79/32/10/763793210.db2.gz FZYCZODHKZHIBY-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109733641 763980051 /nfs/dbraw/zinc/98/00/51/763980051.db2.gz ZZJLGJATQGGDTB-YVSFHVDLSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042718022 764384303 /nfs/dbraw/zinc/38/43/03/764384303.db2.gz DTSDUERSQXNJPZ-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001112979782 765070338 /nfs/dbraw/zinc/07/03/38/765070338.db2.gz FOZLOCZLBKDSSH-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001112979782 765070341 /nfs/dbraw/zinc/07/03/41/765070341.db2.gz FOZLOCZLBKDSSH-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC[C@@H](C)F)C2)CC1 ZINC001044335825 765490224 /nfs/dbraw/zinc/49/02/24/765490224.db2.gz QDRRSLDWNBHJGK-CQSZACIVSA-N 2 1 309.429 1.222 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC=C)C3)CC1 ZINC001047209947 768317098 /nfs/dbraw/zinc/31/70/98/768317098.db2.gz ZHJQYZZWHGGWSP-JQHSSLGASA-N 2 1 315.461 1.487 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052444532 765835621 /nfs/dbraw/zinc/83/56/21/765835621.db2.gz JHXSURGCZMPIGO-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052444532 765835629 /nfs/dbraw/zinc/83/56/29/765835629.db2.gz JHXSURGCZMPIGO-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052444532 765835636 /nfs/dbraw/zinc/83/56/36/765835636.db2.gz JHXSURGCZMPIGO-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001052458696 765848803 /nfs/dbraw/zinc/84/88/03/765848803.db2.gz GJXLWOBRIOQJDO-ZZQZRYSSSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C/C=C/Cl)CC1 ZINC001052458696 765848812 /nfs/dbraw/zinc/84/88/12/765848812.db2.gz GJXLWOBRIOQJDO-ZZQZRYSSSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC001052458696 765848818 /nfs/dbraw/zinc/84/88/18/765848818.db2.gz GJXLWOBRIOQJDO-ZZQZRYSSSA-N 2 1 323.868 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C/C=C/Cl)CC1 ZINC001052458696 765848822 /nfs/dbraw/zinc/84/88/22/765848822.db2.gz GJXLWOBRIOQJDO-ZZQZRYSSSA-N 2 1 323.868 1.807 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001045925628 766708580 /nfs/dbraw/zinc/70/85/80/766708580.db2.gz UJZCBYSRQIGHNH-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001045925628 766708583 /nfs/dbraw/zinc/70/85/83/766708583.db2.gz UJZCBYSRQIGHNH-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001045925628 766708590 /nfs/dbraw/zinc/70/85/90/766708590.db2.gz UJZCBYSRQIGHNH-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001045925628 766708594 /nfs/dbraw/zinc/70/85/94/766708594.db2.gz UJZCBYSRQIGHNH-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045965412 766744396 /nfs/dbraw/zinc/74/43/96/766744396.db2.gz HAHUUOKHTRTNQV-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045965412 766744402 /nfs/dbraw/zinc/74/44/02/766744402.db2.gz HAHUUOKHTRTNQV-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045965412 766744408 /nfs/dbraw/zinc/74/44/08/766744408.db2.gz HAHUUOKHTRTNQV-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090779 767451545 /nfs/dbraw/zinc/45/15/45/767451545.db2.gz VAJXOYXTBUGGSY-ILXRZTDVSA-N 2 1 302.422 1.914 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090779 767451551 /nfs/dbraw/zinc/45/15/51/767451551.db2.gz VAJXOYXTBUGGSY-ILXRZTDVSA-N 2 1 302.422 1.914 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501439 767633700 /nfs/dbraw/zinc/63/37/00/767633700.db2.gz RJEOQCPASREXIT-FYRJDAGRSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501439 767633702 /nfs/dbraw/zinc/63/37/02/767633702.db2.gz RJEOQCPASREXIT-FYRJDAGRSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501439 767633703 /nfs/dbraw/zinc/63/37/03/767633703.db2.gz RJEOQCPASREXIT-FYRJDAGRSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096175790 768367526 /nfs/dbraw/zinc/36/75/26/768367526.db2.gz OCMRXDHNDYNILQ-SQNIBIBYSA-N 2 1 311.429 1.717 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001096175790 768367532 /nfs/dbraw/zinc/36/75/32/768367532.db2.gz OCMRXDHNDYNILQ-SQNIBIBYSA-N 2 1 311.429 1.717 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)CC[C@@H]1C ZINC001132194700 768664747 /nfs/dbraw/zinc/66/47/47/768664747.db2.gz DBSOHYGFVWTIFC-GJZGRUSLSA-N 2 1 302.422 1.345 20 30 DDEDMP CC#CCN1C[C@@H](NC(=O)CCc2nccn2C)CC[C@@H]1C ZINC001132194700 768664749 /nfs/dbraw/zinc/66/47/49/768664749.db2.gz DBSOHYGFVWTIFC-GJZGRUSLSA-N 2 1 302.422 1.345 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311787 768750079 /nfs/dbraw/zinc/75/00/79/768750079.db2.gz YDAPAIUASOJRTM-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311787 768750082 /nfs/dbraw/zinc/75/00/82/768750082.db2.gz YDAPAIUASOJRTM-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311787 768750083 /nfs/dbraw/zinc/75/00/83/768750083.db2.gz YDAPAIUASOJRTM-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132364930 768778597 /nfs/dbraw/zinc/77/85/97/768778597.db2.gz GXUNXCHVRPAQBJ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC[C@H]1C ZINC001132364930 768778602 /nfs/dbraw/zinc/77/86/02/768778602.db2.gz GXUNXCHVRPAQBJ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406424 768809349 /nfs/dbraw/zinc/80/93/49/768809349.db2.gz ISRDMAGNPCTUBG-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406773 768809758 /nfs/dbraw/zinc/80/97/58/768809758.db2.gz OWZPJLZQUBTLIF-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048527949 769497044 /nfs/dbraw/zinc/49/70/44/769497044.db2.gz QPFFMWJGAUPDLF-UYTYNIKBSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001048527949 769497048 /nfs/dbraw/zinc/49/70/48/769497048.db2.gz QPFFMWJGAUPDLF-UYTYNIKBSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048527949 769497058 /nfs/dbraw/zinc/49/70/58/769497058.db2.gz QPFFMWJGAUPDLF-UYTYNIKBSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849490 769984036 /nfs/dbraw/zinc/98/40/36/769984036.db2.gz JEADVSMBPQVWHJ-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849490 769984041 /nfs/dbraw/zinc/98/40/41/769984041.db2.gz JEADVSMBPQVWHJ-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849490 769984043 /nfs/dbraw/zinc/98/40/43/769984043.db2.gz JEADVSMBPQVWHJ-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862507 770005018 /nfs/dbraw/zinc/00/50/18/770005018.db2.gz WVHQNJXTJWOXDO-SOLBZPMBSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862507 770005025 /nfs/dbraw/zinc/00/50/25/770005025.db2.gz WVHQNJXTJWOXDO-SOLBZPMBSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862507 770005039 /nfs/dbraw/zinc/00/50/39/770005039.db2.gz WVHQNJXTJWOXDO-SOLBZPMBSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048888138 770051755 /nfs/dbraw/zinc/05/17/55/770051755.db2.gz IPLYJJOPKNDCSP-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@H]2C1 ZINC001048888138 770051768 /nfs/dbraw/zinc/05/17/68/770051768.db2.gz IPLYJJOPKNDCSP-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@H]2C1 ZINC001048888138 770051781 /nfs/dbraw/zinc/05/17/81/770051781.db2.gz IPLYJJOPKNDCSP-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888137 770052149 /nfs/dbraw/zinc/05/21/49/770052149.db2.gz IPLYJJOPKNDCSP-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888137 770052158 /nfs/dbraw/zinc/05/21/58/770052158.db2.gz IPLYJJOPKNDCSP-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888137 770052172 /nfs/dbraw/zinc/05/21/72/770052172.db2.gz IPLYJJOPKNDCSP-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895674 770245055 /nfs/dbraw/zinc/24/50/55/770245055.db2.gz AVTOKJGUQZTITH-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059971 770312928 /nfs/dbraw/zinc/31/29/28/770312928.db2.gz KQIWPQDGINGKMW-MWDXBVQZSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059971 770312940 /nfs/dbraw/zinc/31/29/40/770312940.db2.gz KQIWPQDGINGKMW-MWDXBVQZSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059971 770312949 /nfs/dbraw/zinc/31/29/49/770312949.db2.gz KQIWPQDGINGKMW-MWDXBVQZSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC001049174725 770501398 /nfs/dbraw/zinc/50/13/98/770501398.db2.gz YBMWCTIWLQQVBP-IYBDPMFKSA-N 2 1 303.450 1.439 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049519469 770966844 /nfs/dbraw/zinc/96/68/44/770966844.db2.gz ZKTYHBGDLREDOI-HZPDHXFCSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049524480 770976596 /nfs/dbraw/zinc/97/65/96/770976596.db2.gz MLQUMLMURDQAJF-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049840069 771198239 /nfs/dbraw/zinc/19/82/39/771198239.db2.gz MDJOHKIQLMNPLZ-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049840069 771198241 /nfs/dbraw/zinc/19/82/41/771198241.db2.gz MDJOHKIQLMNPLZ-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049840069 771198244 /nfs/dbraw/zinc/19/82/44/771198244.db2.gz MDJOHKIQLMNPLZ-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846055 771203605 /nfs/dbraw/zinc/20/36/05/771203605.db2.gz FGOQJGIQKRJKNN-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001049891347 771237640 /nfs/dbraw/zinc/23/76/40/771237640.db2.gz SLLYEYYCDDKVCU-RRFJBIMHSA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049891347 771237646 /nfs/dbraw/zinc/23/76/46/771237646.db2.gz SLLYEYYCDDKVCU-RRFJBIMHSA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049891347 771237651 /nfs/dbraw/zinc/23/76/51/771237651.db2.gz SLLYEYYCDDKVCU-RRFJBIMHSA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049891347 771237655 /nfs/dbraw/zinc/23/76/55/771237655.db2.gz SLLYEYYCDDKVCU-RRFJBIMHSA-N 2 1 311.857 1.756 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049919775 771261258 /nfs/dbraw/zinc/26/12/58/771261258.db2.gz PNKDDXUVIPAPCV-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919775 771261261 /nfs/dbraw/zinc/26/12/61/771261261.db2.gz PNKDDXUVIPAPCV-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919775 771261264 /nfs/dbraw/zinc/26/12/64/771261264.db2.gz PNKDDXUVIPAPCV-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063869 771602982 /nfs/dbraw/zinc/60/29/82/771602982.db2.gz VGVMIXVSSLLOPN-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063869 771602984 /nfs/dbraw/zinc/60/29/84/771602984.db2.gz VGVMIXVSSLLOPN-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063869 771602986 /nfs/dbraw/zinc/60/29/86/771602986.db2.gz VGVMIXVSSLLOPN-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001097063869 771602988 /nfs/dbraw/zinc/60/29/88/771602988.db2.gz VGVMIXVSSLLOPN-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146334710 772841962 /nfs/dbraw/zinc/84/19/62/772841962.db2.gz ZRUPXWCHYPAYGH-UONOGXRCSA-N 2 1 308.426 1.267 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001171306786 773149127 /nfs/dbraw/zinc/14/91/27/773149127.db2.gz BBVMWAAWLBPUPX-CVEARBPZSA-N 2 1 311.445 1.708 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCCF ZINC001171306786 773149130 /nfs/dbraw/zinc/14/91/30/773149130.db2.gz BBVMWAAWLBPUPX-CVEARBPZSA-N 2 1 311.445 1.708 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899543 773510866 /nfs/dbraw/zinc/51/08/66/773510866.db2.gz WOMRPKZFQLJDMZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899543 773510868 /nfs/dbraw/zinc/51/08/68/773510868.db2.gz WOMRPKZFQLJDMZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899543 773510871 /nfs/dbraw/zinc/51/08/71/773510871.db2.gz WOMRPKZFQLJDMZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777233 773584720 /nfs/dbraw/zinc/58/47/20/773584720.db2.gz UAVPJJDHGTUWNW-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611040 774188896 /nfs/dbraw/zinc/18/88/96/774188896.db2.gz GIIPLCROJAVBCK-DJIMGWMZSA-N 2 1 305.466 1.588 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036735929 774429354 /nfs/dbraw/zinc/42/93/54/774429354.db2.gz RWOXWFOEOVEKEF-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001098223663 774517030 /nfs/dbraw/zinc/51/70/30/774517030.db2.gz VVUXZUIJLLYLMP-OAGGEKHMSA-N 2 1 303.450 1.770 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036832408 774801870 /nfs/dbraw/zinc/80/18/70/774801870.db2.gz BAJRUFVQWQDBAW-HOTGVXAUSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036832408 774801877 /nfs/dbraw/zinc/80/18/77/774801877.db2.gz BAJRUFVQWQDBAW-HOTGVXAUSA-N 2 1 314.433 1.563 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836053 774811461 /nfs/dbraw/zinc/81/14/61/774811461.db2.gz LFSYVRPNIIUNCS-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001099320152 774945973 /nfs/dbraw/zinc/94/59/73/774945973.db2.gz GZEFZPXNSUNMFM-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099320152 774945974 /nfs/dbraw/zinc/94/59/74/774945974.db2.gz GZEFZPXNSUNMFM-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496041 775007904 /nfs/dbraw/zinc/00/79/04/775007904.db2.gz HXFRRAWBODSGSD-HZMVEIRTSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496041 775007913 /nfs/dbraw/zinc/00/79/13/775007913.db2.gz HXFRRAWBODSGSD-HZMVEIRTSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496041 775007921 /nfs/dbraw/zinc/00/79/21/775007921.db2.gz HXFRRAWBODSGSD-HZMVEIRTSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519215 775014273 /nfs/dbraw/zinc/01/42/73/775014273.db2.gz GNOIOXKEOUVNIM-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001099930539 775437609 /nfs/dbraw/zinc/43/76/09/775437609.db2.gz HVIWRLPGEZABNA-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419998 775847774 /nfs/dbraw/zinc/84/77/74/775847774.db2.gz LQXAPEMXIRMGNE-YWTNHNAXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419998 775847778 /nfs/dbraw/zinc/84/77/78/775847778.db2.gz LQXAPEMXIRMGNE-YWTNHNAXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419998 775847783 /nfs/dbraw/zinc/84/77/83/775847783.db2.gz LQXAPEMXIRMGNE-YWTNHNAXSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094578909 776053363 /nfs/dbraw/zinc/05/33/63/776053363.db2.gz APFWZPMHBSKDGO-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094578909 776053372 /nfs/dbraw/zinc/05/33/72/776053372.db2.gz APFWZPMHBSKDGO-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094578909 776053375 /nfs/dbraw/zinc/05/33/75/776053375.db2.gz APFWZPMHBSKDGO-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903525 776079453 /nfs/dbraw/zinc/07/94/53/776079453.db2.gz BSYRXRKUJMYUMF-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903526 776079503 /nfs/dbraw/zinc/07/95/03/776079503.db2.gz BSYRXRKUJMYUMF-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172495657 776800960 /nfs/dbraw/zinc/80/09/60/776800960.db2.gz GYORLKPDNIYTAI-HNNXBMFYSA-N 2 1 306.454 1.745 20 30 DDEDMP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H](C)CCCC#N)CC2 ZINC001172495657 776800969 /nfs/dbraw/zinc/80/09/69/776800969.db2.gz GYORLKPDNIYTAI-HNNXBMFYSA-N 2 1 306.454 1.745 20 30 DDEDMP C=CCOC1CCC([N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001173326688 777112957 /nfs/dbraw/zinc/11/29/57/777112957.db2.gz MWIHEBKOKVFBTE-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150331603 777413006 /nfs/dbraw/zinc/41/30/06/777413006.db2.gz FDRMDBPAOHQDLC-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150331603 777413012 /nfs/dbraw/zinc/41/30/12/777413012.db2.gz FDRMDBPAOHQDLC-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150331603 777413015 /nfs/dbraw/zinc/41/30/15/777413015.db2.gz FDRMDBPAOHQDLC-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215209 777943670 /nfs/dbraw/zinc/94/36/70/777943670.db2.gz LLEFGAAQSKOBOC-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150605939 778168690 /nfs/dbraw/zinc/16/86/90/778168690.db2.gz AFJDHUUDNAWUIE-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612953 778240513 /nfs/dbraw/zinc/24/05/13/778240513.db2.gz FTWQTPSTXCKEFJ-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103149640 778668273 /nfs/dbraw/zinc/66/82/73/778668273.db2.gz GCFJWWBQXGVCKT-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103149640 778668275 /nfs/dbraw/zinc/66/82/75/778668275.db2.gz GCFJWWBQXGVCKT-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103149640 778668278 /nfs/dbraw/zinc/66/82/78/778668278.db2.gz GCFJWWBQXGVCKT-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001115773116 780418393 /nfs/dbraw/zinc/41/83/93/780418393.db2.gz MFCMGCFPHCRJLA-UHFFFAOYSA-N 2 1 323.481 1.694 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267308810 837797798 /nfs/dbraw/zinc/79/77/98/837797798.db2.gz GWECTFIQERTFFW-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267308810 837797805 /nfs/dbraw/zinc/79/78/05/837797805.db2.gz GWECTFIQERTFFW-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267308810 837797812 /nfs/dbraw/zinc/79/78/12/837797812.db2.gz GWECTFIQERTFFW-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267308810 837797817 /nfs/dbraw/zinc/79/78/17/837797817.db2.gz GWECTFIQERTFFW-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266361611 836172782 /nfs/dbraw/zinc/17/27/82/836172782.db2.gz PBMCVBKPDDFGGO-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266464791 836299484 /nfs/dbraw/zinc/29/94/84/836299484.db2.gz IPQXWTYZXRSWLB-IRXDYDNUSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC/C=C/CC)C1 ZINC001266517942 836401754 /nfs/dbraw/zinc/40/17/54/836401754.db2.gz QCKMWAQPHVHHPN-ZBKUBXTQSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001266517942 836401755 /nfs/dbraw/zinc/40/17/55/836401755.db2.gz QCKMWAQPHVHHPN-ZBKUBXTQSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC/C=C/CC)C1 ZINC001266517942 836401759 /nfs/dbraw/zinc/40/17/59/836401759.db2.gz QCKMWAQPHVHHPN-ZBKUBXTQSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC/C=C/CC)C1 ZINC001266517942 836401765 /nfs/dbraw/zinc/40/17/65/836401765.db2.gz QCKMWAQPHVHHPN-ZBKUBXTQSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266896433 837019352 /nfs/dbraw/zinc/01/93/52/837019352.db2.gz ATNBAFRKXKYBOY-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266896433 837019390 /nfs/dbraw/zinc/01/93/90/837019390.db2.gz ATNBAFRKXKYBOY-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267113519 837374659 /nfs/dbraw/zinc/37/46/59/837374659.db2.gz NALHLIZGNXFISJ-SJORKVTESA-N 2 1 323.481 1.145 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267584905 838367182 /nfs/dbraw/zinc/36/71/82/838367182.db2.gz LAMFRKJJVKHURM-IRXDYDNUSA-N 2 1 323.481 1.003 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267632296 838535978 /nfs/dbraw/zinc/53/59/78/838535978.db2.gz NCKAGZRBJVBMJJ-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001272024259 844348794 /nfs/dbraw/zinc/34/87/94/844348794.db2.gz NISNSRPZZAGUIQ-YESZJQIVSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001268181237 839803365 /nfs/dbraw/zinc/80/33/65/839803365.db2.gz WEZDNFAUKURBAA-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)C ZINC001268212171 839841875 /nfs/dbraw/zinc/84/18/75/839841875.db2.gz HIAWAEBUIPHRPV-HUUCEWRRSA-N 2 1 304.438 1.760 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001270517440 842636746 /nfs/dbraw/zinc/63/67/46/842636746.db2.gz PWKHWBKGFIPDCA-ZFWWWQNUSA-N 2 1 304.438 1.672 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001271325776 843496106 /nfs/dbraw/zinc/49/61/06/843496106.db2.gz HDOFQQABNQOHPF-HZPDHXFCSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001271325776 843496109 /nfs/dbraw/zinc/49/61/09/843496109.db2.gz HDOFQQABNQOHPF-HZPDHXFCSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC000941186528 846671630 /nfs/dbraw/zinc/67/16/30/846671630.db2.gz LMTDBAMIORLOMZ-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C(C)(C)C1 ZINC000941186528 846671635 /nfs/dbraw/zinc/67/16/35/846671635.db2.gz LMTDBAMIORLOMZ-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C(C)(C)C1 ZINC000941186528 846671640 /nfs/dbraw/zinc/67/16/40/846671640.db2.gz LMTDBAMIORLOMZ-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212353505 847413249 /nfs/dbraw/zinc/41/32/49/847413249.db2.gz TWEOGXNEUOQSLC-RRFJBIMHSA-N 2 1 315.433 1.058 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](OC)C1 ZINC001212353505 847413261 /nfs/dbraw/zinc/41/32/61/847413261.db2.gz TWEOGXNEUOQSLC-RRFJBIMHSA-N 2 1 315.433 1.058 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273127689 847960084 /nfs/dbraw/zinc/96/00/84/847960084.db2.gz FJXADFGONYJPCR-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001327129626 861915695 /nfs/dbraw/zinc/91/56/95/861915695.db2.gz IEGGDWSKVXKAEC-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001327129626 861915699 /nfs/dbraw/zinc/91/56/99/861915699.db2.gz IEGGDWSKVXKAEC-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001327129626 861915708 /nfs/dbraw/zinc/91/57/08/861915708.db2.gz IEGGDWSKVXKAEC-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273827703 851394032 /nfs/dbraw/zinc/39/40/32/851394032.db2.gz VLYPVSBNBSJLBM-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273827703 851394041 /nfs/dbraw/zinc/39/40/41/851394041.db2.gz VLYPVSBNBSJLBM-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)C[C@H]1C ZINC001328288357 862868128 /nfs/dbraw/zinc/86/81/28/862868128.db2.gz ZMGQCCJATYTGBV-CABCVRRESA-N 2 1 304.438 1.898 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072732128 857648835 /nfs/dbraw/zinc/64/88/35/857648835.db2.gz XPMGYAPUCIAYER-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072732128 857648837 /nfs/dbraw/zinc/64/88/37/857648837.db2.gz XPMGYAPUCIAYER-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072732128 857648840 /nfs/dbraw/zinc/64/88/40/857648840.db2.gz XPMGYAPUCIAYER-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813356 857742958 /nfs/dbraw/zinc/74/29/58/857742958.db2.gz OLVQABHROHIUHL-HNNXBMFYSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813356 857742963 /nfs/dbraw/zinc/74/29/63/857742963.db2.gz OLVQABHROHIUHL-HNNXBMFYSA-N 2 1 312.417 1.318 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](CC4CC4)CC3)C2)C1 ZINC001073112337 858112002 /nfs/dbraw/zinc/11/20/02/858112002.db2.gz XCMFSWNMTBQPTH-UHFFFAOYSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125950 858121893 /nfs/dbraw/zinc/12/18/93/858121893.db2.gz PNMDKYHWKZCATE-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001073555253 858435666 /nfs/dbraw/zinc/43/56/66/858435666.db2.gz YXEBMCVXXQKRFH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555253 858435671 /nfs/dbraw/zinc/43/56/71/858435671.db2.gz YXEBMCVXXQKRFH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001073555253 858435674 /nfs/dbraw/zinc/43/56/74/858435674.db2.gz YXEBMCVXXQKRFH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCCC)CC1 ZINC001276977102 881427035 /nfs/dbraw/zinc/42/70/35/881427035.db2.gz GVFSANVQXAEHSK-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccc(C#N)c1F ZINC001277007420 881594887 /nfs/dbraw/zinc/59/48/87/881594887.db2.gz PRCIZIBUILDREU-IRXDYDNUSA-N 2 1 316.424 1.908 20 30 DDEDMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001329342003 863608884 /nfs/dbraw/zinc/60/88/84/863608884.db2.gz MOKAFSZPASXNNM-UHFFFAOYSA-N 2 1 304.438 1.714 20 30 DDEDMP C=CCC[C@@H](C)N1CC(CCO)(NC(=O)Cc2[nH]cnc2C)C1 ZINC001329707055 863802082 /nfs/dbraw/zinc/80/20/82/863802082.db2.gz AONJJZFCBFTBLU-CYBMUJFWSA-N 2 1 320.437 1.168 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153484832 863908765 /nfs/dbraw/zinc/90/87/65/863908765.db2.gz HEAJATQHYCSGIE-BZUAXINKSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153484832 863908778 /nfs/dbraw/zinc/90/87/78/863908778.db2.gz HEAJATQHYCSGIE-BZUAXINKSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153484832 863908789 /nfs/dbraw/zinc/90/87/89/863908789.db2.gz HEAJATQHYCSGIE-BZUAXINKSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818921 864131691 /nfs/dbraw/zinc/13/16/91/864131691.db2.gz GEPQUERASUDMCH-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001153818921 864131698 /nfs/dbraw/zinc/13/16/98/864131698.db2.gz GEPQUERASUDMCH-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001330230995 864177575 /nfs/dbraw/zinc/17/75/75/864177575.db2.gz UUWOBMWBRJHJNW-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157978349 864324624 /nfs/dbraw/zinc/32/46/24/864324624.db2.gz RPHGYCTVDXNMNF-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCN3CCOCC3)CCC[C@H]12 ZINC001332109726 865584134 /nfs/dbraw/zinc/58/41/34/865584134.db2.gz HCNZJLANVMMEQG-WMZOPIPTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001332109726 865584138 /nfs/dbraw/zinc/58/41/38/865584138.db2.gz HCNZJLANVMMEQG-WMZOPIPTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001332109726 865584140 /nfs/dbraw/zinc/58/41/40/865584140.db2.gz HCNZJLANVMMEQG-WMZOPIPTSA-N 2 1 321.465 1.398 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160156658 865703954 /nfs/dbraw/zinc/70/39/54/865703954.db2.gz WDCYPQJHAVUFKQ-GOSISDBHSA-N 2 1 315.461 1.490 20 30 DDEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCOC ZINC001332927409 866258845 /nfs/dbraw/zinc/25/88/45/866258845.db2.gz IHHAZOFEAHHZIK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)CCOC ZINC001332927409 866258865 /nfs/dbraw/zinc/25/88/65/866258865.db2.gz IHHAZOFEAHHZIK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)CCOC ZINC001332927409 866258883 /nfs/dbraw/zinc/25/88/83/866258883.db2.gz IHHAZOFEAHHZIK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001323540463 866674473 /nfs/dbraw/zinc/67/44/73/866674473.db2.gz DGQRQBJEGMYZSX-HNNXBMFYSA-N 2 1 316.449 1.959 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161705359 866916482 /nfs/dbraw/zinc/91/64/82/866916482.db2.gz RFSHEACNNPLWQW-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161705359 866916495 /nfs/dbraw/zinc/91/64/95/866916495.db2.gz RFSHEACNNPLWQW-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001161705359 866916511 /nfs/dbraw/zinc/91/65/11/866916511.db2.gz RFSHEACNNPLWQW-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001161932132 867109736 /nfs/dbraw/zinc/10/97/36/867109736.db2.gz SHGLRZGXYZDHTQ-UHFFFAOYSA-N 2 1 303.450 1.634 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001324286809 867182915 /nfs/dbraw/zinc/18/29/15/867182915.db2.gz UOXOVYJZOQQSDL-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001324797353 867531197 /nfs/dbraw/zinc/53/11/97/867531197.db2.gz GZPKCVTWGJXWLA-SFHVURJKSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001324923290 867629207 /nfs/dbraw/zinc/62/92/07/867629207.db2.gz XOHQLFUPALCFMA-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001324923290 867629214 /nfs/dbraw/zinc/62/92/14/867629214.db2.gz XOHQLFUPALCFMA-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001324923290 867629225 /nfs/dbraw/zinc/62/92/25/867629225.db2.gz XOHQLFUPALCFMA-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325053374 867722908 /nfs/dbraw/zinc/72/29/08/867722908.db2.gz IMPKGMVUGUBWQG-CQSZACIVSA-N 2 1 315.408 1.423 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325053374 867722912 /nfs/dbraw/zinc/72/29/12/867722912.db2.gz IMPKGMVUGUBWQG-CQSZACIVSA-N 2 1 315.408 1.423 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001325053374 867722925 /nfs/dbraw/zinc/72/29/25/867722925.db2.gz IMPKGMVUGUBWQG-CQSZACIVSA-N 2 1 315.408 1.423 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001325053374 867722941 /nfs/dbraw/zinc/72/29/41/867722941.db2.gz IMPKGMVUGUBWQG-CQSZACIVSA-N 2 1 315.408 1.423 20 30 DDEDMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001322279714 868094399 /nfs/dbraw/zinc/09/43/99/868094399.db2.gz AVHMZXVLLAHLBV-FUHWJXTLSA-N 2 1 315.461 1.815 20 30 DDEDMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001322279714 868094412 /nfs/dbraw/zinc/09/44/12/868094412.db2.gz AVHMZXVLLAHLBV-FUHWJXTLSA-N 2 1 315.461 1.815 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485408 869616933 /nfs/dbraw/zinc/61/69/33/869616933.db2.gz VAHHWGOOVJYUEE-HNNXBMFYSA-N 2 1 314.433 1.660 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001316995693 870095531 /nfs/dbraw/zinc/09/55/31/870095531.db2.gz YWKBTTGUYPIILW-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001316995693 870095544 /nfs/dbraw/zinc/09/55/44/870095544.db2.gz YWKBTTGUYPIILW-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001316995693 870095556 /nfs/dbraw/zinc/09/55/56/870095556.db2.gz YWKBTTGUYPIILW-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001316995693 870095568 /nfs/dbraw/zinc/09/55/68/870095568.db2.gz YWKBTTGUYPIILW-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001166667810 870142475 /nfs/dbraw/zinc/14/24/75/870142475.db2.gz IVMPWIRLIXJYLP-OAHLLOKOSA-N 2 1 314.433 1.496 20 30 DDEDMP N#CC[C@H]1CCCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)C1 ZINC001166743522 870214588 /nfs/dbraw/zinc/21/45/88/870214588.db2.gz SSLOMOBPKISNNI-CYBMUJFWSA-N 2 1 300.410 1.534 20 30 DDEDMP C#CC[NH2+]CC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001340057009 870868370 /nfs/dbraw/zinc/86/83/70/870868370.db2.gz RTPORKAHLBWSOP-AEFFLSMTSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCN1CC[NH+](Cc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC001204270796 871027602 /nfs/dbraw/zinc/02/76/02/871027602.db2.gz ZXRNOAJXWOBGMK-UHFFFAOYSA-N 2 1 315.461 1.768 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464130 871568109 /nfs/dbraw/zinc/56/81/09/871568109.db2.gz IQCSEPIJTCMITN-GOSISDBHSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001205483804 871577880 /nfs/dbraw/zinc/57/78/80/871577880.db2.gz SEXXLHQBGWOUII-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP N#Cc1ccn2ncc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)c2c1 ZINC001205591062 871646036 /nfs/dbraw/zinc/64/60/36/871646036.db2.gz CSQAZPNIZSFVQS-INIZCTEOSA-N 2 1 301.369 1.859 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001318445802 872055841 /nfs/dbraw/zinc/05/58/41/872055841.db2.gz QAEMURJGLLNUHV-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001318445802 872055858 /nfs/dbraw/zinc/05/58/58/872055858.db2.gz QAEMURJGLLNUHV-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001318445802 872055873 /nfs/dbraw/zinc/05/58/73/872055873.db2.gz QAEMURJGLLNUHV-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001318445802 872055887 /nfs/dbraw/zinc/05/58/87/872055887.db2.gz QAEMURJGLLNUHV-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH2+][C@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001318592313 872159958 /nfs/dbraw/zinc/15/99/58/872159958.db2.gz VACKBVWYCMNOBC-OAHLLOKOSA-N 2 1 313.405 1.941 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001226696796 882593738 /nfs/dbraw/zinc/59/37/38/882593738.db2.gz NOKYVGSDYPJOBO-HZPDHXFCSA-N 2 1 320.437 1.562 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001319018754 872399261 /nfs/dbraw/zinc/39/92/61/872399261.db2.gz ANKZQXVDVOZLAW-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001319018754 872399278 /nfs/dbraw/zinc/39/92/78/872399278.db2.gz ANKZQXVDVOZLAW-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226721986 882609713 /nfs/dbraw/zinc/60/97/13/882609713.db2.gz BTDJJMHFNSGSFS-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226721986 882609721 /nfs/dbraw/zinc/60/97/21/882609721.db2.gz BTDJJMHFNSGSFS-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001208331458 874019617 /nfs/dbraw/zinc/01/96/17/874019617.db2.gz SMDUVFCTUTUTFO-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208466566 874165764 /nfs/dbraw/zinc/16/57/64/874165764.db2.gz BEYWUAJKRKQRJU-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242637 874752314 /nfs/dbraw/zinc/75/23/14/874752314.db2.gz NSIRIRSYNQVSDW-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242637 874752324 /nfs/dbraw/zinc/75/23/24/874752324.db2.gz NSIRIRSYNQVSDW-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277143 874774131 /nfs/dbraw/zinc/77/41/31/874774131.db2.gz GRBZYLAJNIASDV-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277144 874774463 /nfs/dbraw/zinc/77/44/63/874774463.db2.gz GRBZYLAJNIASDV-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209642985 875034308 /nfs/dbraw/zinc/03/43/08/875034308.db2.gz QVYYERCGLNABKA-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001379261597 876698474 /nfs/dbraw/zinc/69/84/74/876698474.db2.gz DOBFWCIXLLVMLJ-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC001353109003 877125197 /nfs/dbraw/zinc/12/51/97/877125197.db2.gz JMENFKYIZYVJPZ-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC001353109003 877125204 /nfs/dbraw/zinc/12/52/04/877125204.db2.gz JMENFKYIZYVJPZ-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001380352805 879426715 /nfs/dbraw/zinc/42/67/15/879426715.db2.gz HEFASASBVFNGFU-GOSISDBHSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221776806 880074367 /nfs/dbraw/zinc/07/43/67/880074367.db2.gz DREXNVXUMJLRKH-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001276906762 881033553 /nfs/dbraw/zinc/03/35/53/881033553.db2.gz YBRSCZQUQWLTAP-KDURUIRLSA-N 2 1 319.493 1.768 20 30 DDEDMP C[NH+](C)CCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1 ZINC001229659810 884096130 /nfs/dbraw/zinc/09/61/30/884096130.db2.gz LKLJFAZSDWIDPZ-PFJGLKMASA-N 2 1 302.418 1.782 20 30 DDEDMP C[NH+](C)CCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1 ZINC001229659810 884096147 /nfs/dbraw/zinc/09/61/47/884096147.db2.gz LKLJFAZSDWIDPZ-PFJGLKMASA-N 2 1 302.418 1.782 20 30 DDEDMP C=CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccnc1 ZINC001230919183 885048670 /nfs/dbraw/zinc/04/86/70/885048670.db2.gz VJMZGVASCPCFGF-KRWDZBQOSA-N 2 1 316.449 1.528 20 30 DDEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230919183 885048682 /nfs/dbraw/zinc/04/86/82/885048682.db2.gz VJMZGVASCPCFGF-KRWDZBQOSA-N 2 1 316.449 1.528 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccnc1 ZINC001230919183 885048695 /nfs/dbraw/zinc/04/86/95/885048695.db2.gz VJMZGVASCPCFGF-KRWDZBQOSA-N 2 1 316.449 1.528 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cn2)CC1 ZINC001232366409 886301282 /nfs/dbraw/zinc/30/12/82/886301282.db2.gz MHGHJBVZUJEYET-INIZCTEOSA-N 2 1 313.449 1.959 20 30 DDEDMP Cn1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3c2cc[nH+]cc2)cc1C#N ZINC001277693750 886507883 /nfs/dbraw/zinc/50/78/83/886507883.db2.gz KYPRCATXIWGIGX-HDICACEKSA-N 2 1 323.400 1.381 20 30 DDEDMP Cn1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3c2cc[nH+]cc2)cc1C#N ZINC001277693750 886507897 /nfs/dbraw/zinc/50/78/97/886507897.db2.gz KYPRCATXIWGIGX-HDICACEKSA-N 2 1 323.400 1.381 20 30 DDEDMP C#CCC[NH+]1CCC(N(CC#C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001278150913 889872591 /nfs/dbraw/zinc/87/25/91/889872591.db2.gz FRLUHGNIGIFVJV-SJLPKXTDSA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001278336762 891279350 /nfs/dbraw/zinc/27/93/50/891279350.db2.gz UOQXKTGSVYTIBR-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246063288 892395865 /nfs/dbraw/zinc/39/58/65/892395865.db2.gz IHHMLPDVORDFID-QGZVFWFLSA-N 2 1 316.445 1.687 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001278467722 892925812 /nfs/dbraw/zinc/92/58/12/892925812.db2.gz UJRSFWRXRBISJK-MJGOQNOKSA-N 2 1 317.477 1.999 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278518865 894042210 /nfs/dbraw/zinc/04/22/10/894042210.db2.gz KIDKYXXLQZFHHR-KRWDZBQOSA-N 2 1 318.421 1.201 20 30 DDEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001278662335 895102320 /nfs/dbraw/zinc/10/23/20/895102320.db2.gz BHWHXWTUGJSISO-SCTDSRPQSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278662335 895102331 /nfs/dbraw/zinc/10/23/31/895102331.db2.gz BHWHXWTUGJSISO-SCTDSRPQSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278662335 895102337 /nfs/dbraw/zinc/10/23/37/895102337.db2.gz BHWHXWTUGJSISO-SCTDSRPQSA-N 2 1 319.493 1.958 20 30 DDEDMP C[N@H+]1CCC[C@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001254526410 896485338 /nfs/dbraw/zinc/48/53/38/896485338.db2.gz RLRGHBBWDZGNIP-KRWDZBQOSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCC[C@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001254526410 896485349 /nfs/dbraw/zinc/48/53/49/896485349.db2.gz RLRGHBBWDZGNIP-KRWDZBQOSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCC[C@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001254526410 896485361 /nfs/dbraw/zinc/48/53/61/896485361.db2.gz RLRGHBBWDZGNIP-KRWDZBQOSA-N 2 1 313.449 1.950 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC001264566786 901184909 /nfs/dbraw/zinc/18/49/09/901184909.db2.gz HRYRRZOVQYHQDS-ZBFHGGJFSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264753676 901332054 /nfs/dbraw/zinc/33/20/54/901332054.db2.gz MLWYCQJFAAENQN-JKSUJKDBSA-N 2 1 307.482 1.813 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001391715494 902428206 /nfs/dbraw/zinc/42/82/06/902428206.db2.gz DOUCCOPQKOLTTN-ZIAGYGMSSA-N 2 1 324.856 1.991 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265930900 902614238 /nfs/dbraw/zinc/61/42/38/902614238.db2.gz NHTOHRVZVPPKIM-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001279229093 903197963 /nfs/dbraw/zinc/19/79/63/903197963.db2.gz GSRRKFPYIZTGFP-XMTFNYHQSA-N 2 1 319.493 1.955 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001279300880 903212814 /nfs/dbraw/zinc/21/28/14/903212814.db2.gz GCJBWHMWUVNFLP-UHFFFAOYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001280417758 903654047 /nfs/dbraw/zinc/65/40/47/903654047.db2.gz IMXUGXQRZWTEAS-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001280417758 903654054 /nfs/dbraw/zinc/65/40/54/903654054.db2.gz IMXUGXQRZWTEAS-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001371141824 904337270 /nfs/dbraw/zinc/33/72/70/904337270.db2.gz QBJNRFLDDQGWHI-MNOVXSKESA-N 2 1 304.232 1.084 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001392581478 904523024 /nfs/dbraw/zinc/52/30/24/904523024.db2.gz WYBFYEVBEMSOBW-NSHDSACASA-N 2 1 317.418 1.419 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001282944709 906301831 /nfs/dbraw/zinc/30/18/31/906301831.db2.gz AYAKWHNKMIPCMC-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCN(C)Cc1cc(C#N)ccc1F ZINC001372191995 906685247 /nfs/dbraw/zinc/68/52/47/906685247.db2.gz OJGMUEQGNVFXMQ-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001377218375 920669887 /nfs/dbraw/zinc/66/98/87/920669887.db2.gz YHVDITIBDOTQKS-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCc1ccccc1 ZINC000083065392 353705765 /nfs/dbraw/zinc/70/57/65/353705765.db2.gz XCHQEYYSXFAWLM-INIZCTEOSA-N 2 1 304.438 1.592 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)cc(OC)c1 ZINC000093887348 353907209 /nfs/dbraw/zinc/90/72/09/353907209.db2.gz RTHJJRXXSIKTMY-CQSZACIVSA-N 2 1 308.401 1.723 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000592495966 355600121 /nfs/dbraw/zinc/60/01/21/355600121.db2.gz ZTXNAUSJKYIEPB-IRXDYDNUSA-N 2 1 300.406 1.672 20 30 DDEDMP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441317 356216494 /nfs/dbraw/zinc/21/64/94/356216494.db2.gz QTJYQSQJGFXJOQ-ZNMIVQPWSA-N 2 1 310.442 1.013 20 30 DDEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000422986663 283182431 /nfs/dbraw/zinc/18/24/31/283182431.db2.gz DCMXCDUCXMAFCN-RCCFBDPRSA-N 2 1 315.417 1.684 20 30 DDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595615409 356578257 /nfs/dbraw/zinc/57/82/57/356578257.db2.gz QSCWTJPDWYATKS-HNNXBMFYSA-N 2 1 306.454 1.601 20 30 DDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595615409 356578260 /nfs/dbraw/zinc/57/82/60/356578260.db2.gz QSCWTJPDWYATKS-HNNXBMFYSA-N 2 1 306.454 1.601 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602485075 359009495 /nfs/dbraw/zinc/00/94/95/359009495.db2.gz PKNBVEWSAVNTQX-GOSISDBHSA-N 2 1 313.449 1.554 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602485075 359009496 /nfs/dbraw/zinc/00/94/96/359009496.db2.gz PKNBVEWSAVNTQX-GOSISDBHSA-N 2 1 313.449 1.554 20 30 DDEDMP CC(C)(C#N)CCCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603259839 359523123 /nfs/dbraw/zinc/52/31/23/359523123.db2.gz JXERZAYUPPLKOF-UHFFFAOYSA-N 2 1 304.442 1.574 20 30 DDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@H+](C)C1CC1 ZINC000330025319 223064808 /nfs/dbraw/zinc/06/48/08/223064808.db2.gz KLASKEATKYPDOR-UHFFFAOYSA-N 2 1 316.409 1.621 20 30 DDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCC[N@@H+](C)C1CC1 ZINC000330025319 223064811 /nfs/dbraw/zinc/06/48/11/223064811.db2.gz KLASKEATKYPDOR-UHFFFAOYSA-N 2 1 316.409 1.621 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(COC)c1 ZINC000104166296 407348228 /nfs/dbraw/zinc/34/82/28/407348228.db2.gz YKEOJPDQSKFQTM-INIZCTEOSA-N 2 1 304.438 1.722 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000113514089 407513374 /nfs/dbraw/zinc/51/33/74/407513374.db2.gz MLABFVDUKJOACL-HOTGVXAUSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000113514089 407513382 /nfs/dbraw/zinc/51/33/82/407513382.db2.gz MLABFVDUKJOACL-HOTGVXAUSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC[C@@](C)(O)c1cccs1 ZINC000261786362 407616858 /nfs/dbraw/zinc/61/68/58/407616858.db2.gz QMDHOKFNHKTGJT-IUODEOHRSA-N 2 1 310.467 1.215 20 30 DDEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131563165 407738814 /nfs/dbraw/zinc/73/88/14/407738814.db2.gz FFYFRVYISUFHRU-QGZVFWFLSA-N 2 1 304.438 1.439 20 30 DDEDMP C[N@H+](CC#Cc1ccc(F)cc1)CCCN1CC[NH+](C)CC1 ZINC000182965316 408293843 /nfs/dbraw/zinc/29/38/43/408293843.db2.gz OBBGBCFPRBTLJE-UHFFFAOYSA-N 2 1 303.425 1.747 20 30 DDEDMP C=CC[N@H+](CCOCC[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000357084000 409857157 /nfs/dbraw/zinc/85/71/57/409857157.db2.gz JFQFVZQJFMLXNM-CQSZACIVSA-N 2 1 316.409 1.187 20 30 DDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000328832593 409987583 /nfs/dbraw/zinc/98/75/83/409987583.db2.gz LKGXRXZDHVZMIG-IAGOWNOFSA-N 2 1 318.465 1.555 20 30 DDEDMP C[N@H+](Cc1cnc2ccc(C#N)cn12)C1CCN(CCO)CC1 ZINC000353362126 410943040 /nfs/dbraw/zinc/94/30/40/410943040.db2.gz CYXLTQQDQUJJPR-UHFFFAOYSA-N 2 1 313.405 1.094 20 30 DDEDMP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCN(CCO)CC1 ZINC000353362126 410943045 /nfs/dbraw/zinc/94/30/45/410943045.db2.gz CYXLTQQDQUJJPR-UHFFFAOYSA-N 2 1 313.405 1.094 20 30 DDEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000331230237 411030225 /nfs/dbraw/zinc/03/02/25/411030225.db2.gz PQAGMYBTAOEXAP-ZIAGYGMSSA-N 2 1 314.474 1.018 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638524619 422961301 /nfs/dbraw/zinc/96/13/01/422961301.db2.gz PRZHMNKCBWZXMR-UHFFFAOYSA-N 2 1 323.462 1.464 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249490865 222240186 /nfs/dbraw/zinc/24/01/86/222240186.db2.gz ZHPGEJDQRCORGO-HRCADAONSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249490865 222240187 /nfs/dbraw/zinc/24/01/87/222240187.db2.gz ZHPGEJDQRCORGO-HRCADAONSA-N 2 1 311.470 1.404 20 30 DDEDMP C[NH+]=C(NCc1ccsc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261714047 222255860 /nfs/dbraw/zinc/25/58/60/222255860.db2.gz KFPHVWUVRYHALX-HNNXBMFYSA-N 2 1 322.478 1.478 20 30 DDEDMP COc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+]2CCCC2)cc1 ZINC000262628776 222286992 /nfs/dbraw/zinc/28/69/92/222286992.db2.gz FDJYOMBVFIQZLA-XJKSGUPXSA-N 2 1 302.422 1.769 20 30 DDEDMP C[N@@H+]1CC=C(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000263156828 222305106 /nfs/dbraw/zinc/30/51/06/222305106.db2.gz NISLVKQBIGUCBL-HNNXBMFYSA-N 2 1 300.406 1.676 20 30 DDEDMP CCCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cn1 ZINC000267457916 222385506 /nfs/dbraw/zinc/38/55/06/222385506.db2.gz UCMUFFSOOVBFNP-OAHLLOKOSA-N 2 1 319.453 1.759 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000424128995 228231188 /nfs/dbraw/zinc/23/11/88/228231188.db2.gz FUJKZIPKTCSXSA-QGZVFWFLSA-N 2 1 314.433 1.572 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424136504 228233862 /nfs/dbraw/zinc/23/38/62/228233862.db2.gz QSNRULQPQJSYHA-SJORKVTESA-N 2 1 314.433 1.788 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424140361 228234416 /nfs/dbraw/zinc/23/44/16/228234416.db2.gz FQWISKUYHWWQPR-NVXWUHKLSA-N 2 1 314.433 1.740 20 30 DDEDMP CC#CCC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526058 420602295 /nfs/dbraw/zinc/60/22/95/420602295.db2.gz GYKABKQIKUJLHJ-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CCC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451526058 420602298 /nfs/dbraw/zinc/60/22/98/420602298.db2.gz GYKABKQIKUJLHJ-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CCC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526058 420602302 /nfs/dbraw/zinc/60/23/02/420602302.db2.gz GYKABKQIKUJLHJ-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CCC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451526058 420602305 /nfs/dbraw/zinc/60/23/05/420602305.db2.gz GYKABKQIKUJLHJ-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000491526485 421198667 /nfs/dbraw/zinc/19/86/67/421198667.db2.gz ZNNLMFVUOPZOBT-IYBDPMFKSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000491526485 421198668 /nfs/dbraw/zinc/19/86/68/421198668.db2.gz ZNNLMFVUOPZOBT-IYBDPMFKSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000491526485 421198671 /nfs/dbraw/zinc/19/86/71/421198671.db2.gz ZNNLMFVUOPZOBT-IYBDPMFKSA-N 2 1 308.470 1.504 20 30 DDEDMP C=CC[C@@]1(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662689321 424735997 /nfs/dbraw/zinc/73/59/97/424735997.db2.gz UISZZCNWYQXFPU-JZXOWHBKSA-N 2 1 323.481 1.690 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000074130214 341129526 /nfs/dbraw/zinc/12/95/26/341129526.db2.gz LDEAQIXNHWFBSO-INIZCTEOSA-N 2 1 308.470 1.810 20 30 DDEDMP C=CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000656478117 484158335 /nfs/dbraw/zinc/15/83/35/484158335.db2.gz NSFWIUATLQNMKZ-CABCVRRESA-N 2 1 307.438 1.354 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000491719316 526814936 /nfs/dbraw/zinc/81/49/36/526814936.db2.gz YVCPAORZDNDDAD-KRWDZBQOSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000491719316 526814942 /nfs/dbraw/zinc/81/49/42/526814942.db2.gz YVCPAORZDNDDAD-KRWDZBQOSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000491719316 526814945 /nfs/dbraw/zinc/81/49/45/526814945.db2.gz YVCPAORZDNDDAD-KRWDZBQOSA-N 2 1 322.497 1.895 20 30 DDEDMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424164271 527846152 /nfs/dbraw/zinc/84/61/52/527846152.db2.gz ZDUHSVMYXPZYRS-MRXNPFEDSA-N 2 1 302.422 1.776 20 30 DDEDMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343146323 528106735 /nfs/dbraw/zinc/10/67/35/528106735.db2.gz YSHBCPBLUYQQMD-UHFFFAOYSA-N 2 1 320.481 1.850 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@H]2CCO)CC1 ZINC000329935307 528957790 /nfs/dbraw/zinc/95/77/90/528957790.db2.gz CLXNGZFMDRUNKY-CQSZACIVSA-N 2 1 315.483 1.227 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@H]2CCO)CC1 ZINC000329935307 528957793 /nfs/dbraw/zinc/95/77/93/528957793.db2.gz CLXNGZFMDRUNKY-CQSZACIVSA-N 2 1 315.483 1.227 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980211612 696709224 /nfs/dbraw/zinc/70/92/24/696709224.db2.gz GWPYQKHCWKIDBH-BBWFWOEESA-N 2 1 315.461 1.322 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980219006 696711078 /nfs/dbraw/zinc/71/10/78/696711078.db2.gz WRKCTKIRGVRHDA-GVDBMIGSSA-N 2 1 317.477 1.875 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980219016 696711115 /nfs/dbraw/zinc/71/11/15/696711115.db2.gz WRKCTKIRGVRHDA-YESZJQIVSA-N 2 1 317.477 1.875 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972414054 695243143 /nfs/dbraw/zinc/24/31/43/695243143.db2.gz SUWANIHWXOGARQ-FUHWJXTLSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974780058 695732442 /nfs/dbraw/zinc/73/24/42/695732442.db2.gz ZSZGKTGXFLWAPX-HNNXBMFYSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974780058 695732444 /nfs/dbraw/zinc/73/24/44/695732444.db2.gz ZSZGKTGXFLWAPX-HNNXBMFYSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974780060 695732767 /nfs/dbraw/zinc/73/27/67/695732767.db2.gz ZSZGKTGXFLWAPX-OAHLLOKOSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974780060 695732769 /nfs/dbraw/zinc/73/27/69/695732769.db2.gz ZSZGKTGXFLWAPX-OAHLLOKOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977421410 696154370 /nfs/dbraw/zinc/15/43/70/696154370.db2.gz KCXAZIHXMXKINH-QGZVFWFLSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977615433 696235556 /nfs/dbraw/zinc/23/55/56/696235556.db2.gz MHKYNSYMFOJANF-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977615433 696235558 /nfs/dbraw/zinc/23/55/58/696235558.db2.gz MHKYNSYMFOJANF-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977615433 696235559 /nfs/dbraw/zinc/23/55/59/696235559.db2.gz MHKYNSYMFOJANF-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977615433 696235560 /nfs/dbraw/zinc/23/55/60/696235560.db2.gz MHKYNSYMFOJANF-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978418609 696379780 /nfs/dbraw/zinc/37/97/80/696379780.db2.gz URDTYOMNMMPPHQ-FJIDUMEYSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978418609 696379782 /nfs/dbraw/zinc/37/97/82/696379782.db2.gz URDTYOMNMMPPHQ-FJIDUMEYSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978418609 696379784 /nfs/dbraw/zinc/37/97/84/696379784.db2.gz URDTYOMNMMPPHQ-FJIDUMEYSA-N 2 1 319.493 1.977 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000104152640 696618696 /nfs/dbraw/zinc/61/86/96/696618696.db2.gz SCHUFBOWLDXVGB-UHFFFAOYSA-N 2 1 322.409 1.153 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccn(C2CCCC2)n1 ZINC000119581902 696682543 /nfs/dbraw/zinc/68/25/43/696682543.db2.gz RHGFEGUDVNWUKD-MRXNPFEDSA-N 2 1 318.469 1.887 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980185181 696702985 /nfs/dbraw/zinc/70/29/85/696702985.db2.gz KYWUJHNYMMAHSN-KSZLIROESA-N 2 1 317.477 1.568 20 30 DDEDMP CCc1nc(CNC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)=[NH+]C)cs1 ZINC000152617835 696901923 /nfs/dbraw/zinc/90/19/23/696901923.db2.gz DEFBLDDCNXNMCG-NWDGAFQWSA-N 2 1 321.494 1.996 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981153358 697020010 /nfs/dbraw/zinc/02/00/10/697020010.db2.gz XZFOSJDDNLTVOO-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153358 697020013 /nfs/dbraw/zinc/02/00/13/697020013.db2.gz XZFOSJDDNLTVOO-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981153358 697020016 /nfs/dbraw/zinc/02/00/16/697020016.db2.gz XZFOSJDDNLTVOO-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000982074767 697022346 /nfs/dbraw/zinc/02/23/46/697022346.db2.gz AHVJZQSCPZIUPB-UHFFFAOYSA-N 2 1 316.449 1.954 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000982074767 697022349 /nfs/dbraw/zinc/02/23/49/697022349.db2.gz AHVJZQSCPZIUPB-UHFFFAOYSA-N 2 1 316.449 1.954 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC=C)C3)CC1 ZINC000982161943 697046086 /nfs/dbraw/zinc/04/60/86/697046086.db2.gz FWAYWWXYVIBPMQ-UHFFFAOYSA-N 2 1 315.461 1.442 20 30 DDEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)NC1CC1 ZINC000172838888 697372177 /nfs/dbraw/zinc/37/21/77/697372177.db2.gz OPWHPAOLZZSZFI-UHFFFAOYSA-N 2 1 307.486 1.264 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cccc(C#N)c2)C1 ZINC000779650156 698448012 /nfs/dbraw/zinc/44/80/12/698448012.db2.gz LVWQVDBTKSSSIV-HNNXBMFYSA-N 2 1 302.378 1.666 20 30 DDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cccc(C#N)c2)C1 ZINC000779650156 698448015 /nfs/dbraw/zinc/44/80/15/698448015.db2.gz LVWQVDBTKSSSIV-HNNXBMFYSA-N 2 1 302.378 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483920 698639580 /nfs/dbraw/zinc/63/95/80/698639580.db2.gz YPYBHLFSABBUPS-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989670952 698718628 /nfs/dbraw/zinc/71/86/28/698718628.db2.gz NOEMWVXUGWBOJZ-MRXNPFEDSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767784 699154128 /nfs/dbraw/zinc/15/41/28/699154128.db2.gz YUWDJFSICSYUPV-LHHMISFZSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767784 699154129 /nfs/dbraw/zinc/15/41/29/699154129.db2.gz YUWDJFSICSYUPV-LHHMISFZSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767784 699154131 /nfs/dbraw/zinc/15/41/31/699154131.db2.gz YUWDJFSICSYUPV-LHHMISFZSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000730279023 699506360 /nfs/dbraw/zinc/50/63/60/699506360.db2.gz JBFSBOQQNFOYRO-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000730279023 699506362 /nfs/dbraw/zinc/50/63/62/699506362.db2.gz JBFSBOQQNFOYRO-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP Nc1ccc2c(c1)C(=[NH+]NCCC[NH+]1CCOCC1)CCC2 ZINC000814924160 701771380 /nfs/dbraw/zinc/77/13/80/701771380.db2.gz WBOCUVWWKJAKTM-UHFFFAOYSA-N 2 1 302.422 1.621 20 30 DDEDMP CN(C)C(=[NH+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)N(C)C ZINC000849054710 703615582 /nfs/dbraw/zinc/61/55/82/703615582.db2.gz PKKZJEOYXSMPGH-CQSZACIVSA-N 2 1 323.510 1.516 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000851662267 703825603 /nfs/dbraw/zinc/82/56/03/703825603.db2.gz VQESSYWWCYFVMN-QGZVFWFLSA-N 2 1 320.481 1.363 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852909072 704169830 /nfs/dbraw/zinc/16/98/30/704169830.db2.gz OJOFFPKBWMIQSN-MRXNPFEDSA-N 2 1 303.450 1.513 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+](C)C1CC1 ZINC000876750598 705856496 /nfs/dbraw/zinc/85/64/96/705856496.db2.gz IVWDOJDFQBXUCK-SJKOYZFVSA-N 2 1 312.417 1.344 20 30 DDEDMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000876782550 705874927 /nfs/dbraw/zinc/87/49/27/705874927.db2.gz QQXCOOCCPOUVLV-CDHAZOANSA-N 2 1 324.428 1.486 20 30 DDEDMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000876782550 705874933 /nfs/dbraw/zinc/87/49/33/705874933.db2.gz QQXCOOCCPOUVLV-CDHAZOANSA-N 2 1 324.428 1.486 20 30 DDEDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000873044373 707706392 /nfs/dbraw/zinc/70/63/92/707706392.db2.gz LFGFKGRJCMFUIW-UHFFFAOYSA-N 2 1 304.413 1.815 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000883131201 707935390 /nfs/dbraw/zinc/93/53/90/707935390.db2.gz NYVDBXUFDJPZRB-UHFFFAOYSA-N 2 1 321.465 1.931 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000883131201 707935393 /nfs/dbraw/zinc/93/53/93/707935393.db2.gz NYVDBXUFDJPZRB-UHFFFAOYSA-N 2 1 321.465 1.931 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000884057210 708120808 /nfs/dbraw/zinc/12/08/08/708120808.db2.gz YRBKZEBWSZMYFU-IKGGRYGDSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000884057210 708120809 /nfs/dbraw/zinc/12/08/09/708120809.db2.gz YRBKZEBWSZMYFU-IKGGRYGDSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000884057210 708120810 /nfs/dbraw/zinc/12/08/10/708120810.db2.gz YRBKZEBWSZMYFU-IKGGRYGDSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000884057210 708120811 /nfs/dbraw/zinc/12/08/11/708120811.db2.gz YRBKZEBWSZMYFU-IKGGRYGDSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000884131047 708153382 /nfs/dbraw/zinc/15/33/82/708153382.db2.gz ZOMJQXDAFRVNCT-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000884131047 708153384 /nfs/dbraw/zinc/15/33/84/708153384.db2.gz ZOMJQXDAFRVNCT-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000884131047 708153387 /nfs/dbraw/zinc/15/33/87/708153387.db2.gz ZOMJQXDAFRVNCT-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000884131047 708153389 /nfs/dbraw/zinc/15/33/89/708153389.db2.gz ZOMJQXDAFRVNCT-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000884200343 708185305 /nfs/dbraw/zinc/18/53/05/708185305.db2.gz ZODHEABXFYNFNS-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000884200343 708185307 /nfs/dbraw/zinc/18/53/07/708185307.db2.gz ZODHEABXFYNFNS-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884218966 708195881 /nfs/dbraw/zinc/19/58/81/708195881.db2.gz DIWAGJUXHSLIGC-CTMQZQKCSA-N 2 1 318.465 1.220 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886288786 708736163 /nfs/dbraw/zinc/73/61/63/708736163.db2.gz HFBHGEWTESGPEN-JKSUJKDBSA-N 2 1 309.454 1.474 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886288786 708736164 /nfs/dbraw/zinc/73/61/64/708736164.db2.gz HFBHGEWTESGPEN-JKSUJKDBSA-N 2 1 309.454 1.474 20 30 DDEDMP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C1CC[NH+](C)CC1 ZINC000886574639 708779423 /nfs/dbraw/zinc/77/94/23/708779423.db2.gz NHTRHIPRSYXFQA-HNNXBMFYSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)CC1 ZINC000886593056 708785720 /nfs/dbraw/zinc/78/57/20/708785720.db2.gz HJGCNULJOSBRKN-QGZVFWFLSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000912726323 713075882 /nfs/dbraw/zinc/07/58/82/713075882.db2.gz XQJWQZQMHYLICB-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000910367020 709911075 /nfs/dbraw/zinc/91/10/75/709911075.db2.gz YAUAXORSYGVLFT-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000914341258 713381565 /nfs/dbraw/zinc/38/15/65/713381565.db2.gz NBWKYRYGCHBXMG-HZPDHXFCSA-N 2 1 320.481 1.504 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432662 714096031 /nfs/dbraw/zinc/09/60/31/714096031.db2.gz ZAGHELKHQPBBFA-DLTWYDFYSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432662 714096033 /nfs/dbraw/zinc/09/60/33/714096033.db2.gz ZAGHELKHQPBBFA-DLTWYDFYSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432662 714096036 /nfs/dbraw/zinc/09/60/36/714096036.db2.gz ZAGHELKHQPBBFA-DLTWYDFYSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432662 714096037 /nfs/dbraw/zinc/09/60/37/714096037.db2.gz ZAGHELKHQPBBFA-DLTWYDFYSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432662 714096040 /nfs/dbraw/zinc/09/60/40/714096040.db2.gz ZAGHELKHQPBBFA-DLTWYDFYSA-N 2 1 306.454 1.313 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960285984 716480534 /nfs/dbraw/zinc/48/05/34/716480534.db2.gz DHVXBUCBWLOMQW-CBZIJGRNSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960285984 716480537 /nfs/dbraw/zinc/48/05/37/716480537.db2.gz DHVXBUCBWLOMQW-CBZIJGRNSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960285984 716480539 /nfs/dbraw/zinc/48/05/39/716480539.db2.gz DHVXBUCBWLOMQW-CBZIJGRNSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960292328 716481742 /nfs/dbraw/zinc/48/17/42/716481742.db2.gz VKNCMVUZXRTMGB-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960292328 716481743 /nfs/dbraw/zinc/48/17/43/716481743.db2.gz VKNCMVUZXRTMGB-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960292328 716481748 /nfs/dbraw/zinc/48/17/48/716481748.db2.gz VKNCMVUZXRTMGB-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000961568676 717008109 /nfs/dbraw/zinc/00/81/09/717008109.db2.gz VDTQIYXPZKYJPK-MWDXBVQZSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961568676 717008112 /nfs/dbraw/zinc/00/81/12/717008112.db2.gz VDTQIYXPZKYJPK-MWDXBVQZSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961568676 717008115 /nfs/dbraw/zinc/00/81/15/717008115.db2.gz VDTQIYXPZKYJPK-MWDXBVQZSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)CC2(C)C)CC1 ZINC000941237765 717136913 /nfs/dbraw/zinc/13/69/13/717136913.db2.gz QRWJVNAQXXQIRE-QGZVFWFLSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963313263 717737713 /nfs/dbraw/zinc/73/77/13/717737713.db2.gz FSSRLICQOIVFQG-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963313263 717737717 /nfs/dbraw/zinc/73/77/17/717737717.db2.gz FSSRLICQOIVFQG-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963313263 717737720 /nfs/dbraw/zinc/73/77/20/717737720.db2.gz FSSRLICQOIVFQG-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000963549860 717826902 /nfs/dbraw/zinc/82/69/02/717826902.db2.gz AUSYPQSHXIKVST-PRLABOORSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000963549860 717826903 /nfs/dbraw/zinc/82/69/03/717826903.db2.gz AUSYPQSHXIKVST-PRLABOORSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944170044 718265248 /nfs/dbraw/zinc/26/52/48/718265248.db2.gz RYMRQUJMGYQZLU-GDBMZVCRSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944170044 718265249 /nfs/dbraw/zinc/26/52/49/718265249.db2.gz RYMRQUJMGYQZLU-GDBMZVCRSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)C[C@@H]2C)CC1 ZINC000945184630 718417205 /nfs/dbraw/zinc/41/72/05/718417205.db2.gz WZLBRCFAQNYLRB-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776432 718905488 /nfs/dbraw/zinc/90/54/88/718905488.db2.gz NLRSMTBGQZTFQR-CALCHBBNSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776432 718905490 /nfs/dbraw/zinc/90/54/90/718905490.db2.gz NLRSMTBGQZTFQR-CALCHBBNSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776432 718905492 /nfs/dbraw/zinc/90/54/92/718905492.db2.gz NLRSMTBGQZTFQR-CALCHBBNSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946778997 718906020 /nfs/dbraw/zinc/90/60/20/718906020.db2.gz BKENGMMVOSJCCV-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946778997 718906021 /nfs/dbraw/zinc/90/60/21/718906021.db2.gz BKENGMMVOSJCCV-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946778997 718906023 /nfs/dbraw/zinc/90/60/23/718906023.db2.gz BKENGMMVOSJCCV-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000967925057 719090825 /nfs/dbraw/zinc/09/08/25/719090825.db2.gz NAMJNCVKPJBBBI-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C[C@@H]1C ZINC000947771215 719265577 /nfs/dbraw/zinc/26/55/77/719265577.db2.gz IHUQFRQYKNWIHK-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771215 719265578 /nfs/dbraw/zinc/26/55/78/719265578.db2.gz IHUQFRQYKNWIHK-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771215 719265581 /nfs/dbraw/zinc/26/55/81/719265581.db2.gz IHUQFRQYKNWIHK-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947939489 719312844 /nfs/dbraw/zinc/31/28/44/719312844.db2.gz IKINSLCKMBRFIR-HUUCEWRRSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498173 719625003 /nfs/dbraw/zinc/62/50/03/719625003.db2.gz XNYAFPIYEQJYCA-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517641 719637351 /nfs/dbraw/zinc/63/73/51/719637351.db2.gz QBDYJXCUFFXABQ-YJBOKZPZSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517641 719637354 /nfs/dbraw/zinc/63/73/54/719637354.db2.gz QBDYJXCUFFXABQ-YJBOKZPZSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820217 719730034 /nfs/dbraw/zinc/73/00/34/719730034.db2.gz CAHLJJWNKHAQMF-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820217 719730036 /nfs/dbraw/zinc/73/00/36/719730036.db2.gz CAHLJJWNKHAQMF-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC000948825804 719732674 /nfs/dbraw/zinc/73/26/74/719732674.db2.gz SEMMCXHIUUFYJG-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(CC)CC)CC1 ZINC000948825804 719732679 /nfs/dbraw/zinc/73/26/79/719732679.db2.gz SEMMCXHIUUFYJG-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCN1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948985823 719824100 /nfs/dbraw/zinc/82/41/00/719824100.db2.gz GDVDNPYRRFXRTA-FUHWJXTLSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000948985823 719824104 /nfs/dbraw/zinc/82/41/04/719824104.db2.gz GDVDNPYRRFXRTA-FUHWJXTLSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000948985823 719824106 /nfs/dbraw/zinc/82/41/06/719824106.db2.gz GDVDNPYRRFXRTA-FUHWJXTLSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948985823 719824109 /nfs/dbraw/zinc/82/41/09/719824109.db2.gz GDVDNPYRRFXRTA-FUHWJXTLSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC000948985823 719824113 /nfs/dbraw/zinc/82/41/13/719824113.db2.gz GDVDNPYRRFXRTA-FUHWJXTLSA-N 2 1 313.445 1.840 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156417 719981575 /nfs/dbraw/zinc/98/15/75/719981575.db2.gz SEPCMKFQJRMNSX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156417 719981577 /nfs/dbraw/zinc/98/15/77/719981577.db2.gz SEPCMKFQJRMNSX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156417 719981580 /nfs/dbraw/zinc/98/15/80/719981580.db2.gz SEPCMKFQJRMNSX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000949472855 720110710 /nfs/dbraw/zinc/11/07/10/720110710.db2.gz PUGJKTSVPQJPLZ-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000949472855 720110714 /nfs/dbraw/zinc/11/07/14/720110714.db2.gz PUGJKTSVPQJPLZ-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000949472855 720110717 /nfs/dbraw/zinc/11/07/17/720110717.db2.gz PUGJKTSVPQJPLZ-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC000949472855 720110720 /nfs/dbraw/zinc/11/07/20/720110720.db2.gz PUGJKTSVPQJPLZ-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719854 720907750 /nfs/dbraw/zinc/90/77/50/720907750.db2.gz WGMDZIDDLFCICN-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719854 720907755 /nfs/dbraw/zinc/90/77/55/720907755.db2.gz WGMDZIDDLFCICN-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577544 738425351 /nfs/dbraw/zinc/42/53/51/738425351.db2.gz NFJGFNZJXCHOGH-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577544 738425352 /nfs/dbraw/zinc/42/53/52/738425352.db2.gz NFJGFNZJXCHOGH-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001027687525 738548175 /nfs/dbraw/zinc/54/81/75/738548175.db2.gz PHPUVOOQNSHHDT-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001027687525 738548177 /nfs/dbraw/zinc/54/81/77/738548177.db2.gz PHPUVOOQNSHHDT-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001027687525 738548179 /nfs/dbraw/zinc/54/81/79/738548179.db2.gz PHPUVOOQNSHHDT-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027687525 738548182 /nfs/dbraw/zinc/54/81/82/738548182.db2.gz PHPUVOOQNSHHDT-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027687525 738548183 /nfs/dbraw/zinc/54/81/83/738548183.db2.gz PHPUVOOQNSHHDT-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001098524449 732520707 /nfs/dbraw/zinc/52/07/07/732520707.db2.gz KBOWVVWMMIUBSB-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524449 732520710 /nfs/dbraw/zinc/52/07/10/732520710.db2.gz KBOWVVWMMIUBSB-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001098524449 732520713 /nfs/dbraw/zinc/52/07/13/732520713.db2.gz KBOWVVWMMIUBSB-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039144726 732888994 /nfs/dbraw/zinc/88/89/94/732888994.db2.gz NOJKQLPJPUZQOL-KRWDZBQOSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC001039144726 732889001 /nfs/dbraw/zinc/88/90/01/732889001.db2.gz NOJKQLPJPUZQOL-KRWDZBQOSA-N 2 1 316.449 1.938 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167428073 733450432 /nfs/dbraw/zinc/45/04/32/733450432.db2.gz AEUHZHXOXUEEJZ-IRXDYDNUSA-N 2 1 317.477 1.903 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718255 733482392 /nfs/dbraw/zinc/48/23/92/733482392.db2.gz VYKOIJXFQRKQGN-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001121402994 782494533 /nfs/dbraw/zinc/49/45/33/782494533.db2.gz YOHYWCWYVRTTJE-UHFFFAOYSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253029 736394445 /nfs/dbraw/zinc/39/44/45/736394445.db2.gz SBMUZVPOSGAKBZ-IRXDYDNUSA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253029 736394452 /nfs/dbraw/zinc/39/44/52/736394452.db2.gz SBMUZVPOSGAKBZ-IRXDYDNUSA-N 2 1 314.433 1.670 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235478 736459443 /nfs/dbraw/zinc/45/94/43/736459443.db2.gz XXNSWHOKLXQLOU-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472177 736705338 /nfs/dbraw/zinc/70/53/38/736705338.db2.gz NWBKIJXINOQJGU-GOEBONIOSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001027470107 738326805 /nfs/dbraw/zinc/32/68/05/738326805.db2.gz JKCDHQVDQVCCEM-ZBFHGGJFSA-N 2 1 302.422 1.554 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041371079 739105802 /nfs/dbraw/zinc/10/58/02/739105802.db2.gz JZQFWWQYIDKIHK-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041371079 739105804 /nfs/dbraw/zinc/10/58/04/739105804.db2.gz JZQFWWQYIDKIHK-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041371079 739105806 /nfs/dbraw/zinc/10/58/06/739105806.db2.gz JZQFWWQYIDKIHK-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001028333454 739366336 /nfs/dbraw/zinc/36/63/36/739366336.db2.gz LMKAZOOFUMEALS-LWAXHKBTSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001028333454 739366341 /nfs/dbraw/zinc/36/63/41/739366341.db2.gz LMKAZOOFUMEALS-LWAXHKBTSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001028334180 739370167 /nfs/dbraw/zinc/37/01/67/739370167.db2.gz WFVVAZDATCLNOJ-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035389948 751460011 /nfs/dbraw/zinc/46/00/11/751460011.db2.gz SPWFKVVZMRALNE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389948 751460016 /nfs/dbraw/zinc/46/00/16/751460016.db2.gz SPWFKVVZMRALNE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389948 751460024 /nfs/dbraw/zinc/46/00/24/751460024.db2.gz SPWFKVVZMRALNE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000998004469 751458195 /nfs/dbraw/zinc/45/81/95/751458195.db2.gz AWDWGTJJFSYDQM-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590548 739719244 /nfs/dbraw/zinc/71/92/44/739719244.db2.gz AEECLYKLNYCDSP-CABCVRRESA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590548 739719246 /nfs/dbraw/zinc/71/92/46/739719246.db2.gz AEECLYKLNYCDSP-CABCVRRESA-N 2 1 302.422 1.775 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647571 739847451 /nfs/dbraw/zinc/84/74/51/739847451.db2.gz KDBRDFBJCIQENY-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647571 739847454 /nfs/dbraw/zinc/84/74/54/739847454.db2.gz KDBRDFBJCIQENY-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647571 739847461 /nfs/dbraw/zinc/84/74/61/739847461.db2.gz KDBRDFBJCIQENY-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799551 740055626 /nfs/dbraw/zinc/05/56/26/740055626.db2.gz CRBAIGIGCMTHNU-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799551 740055631 /nfs/dbraw/zinc/05/56/31/740055631.db2.gz CRBAIGIGCMTHNU-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087837123 740777686 /nfs/dbraw/zinc/77/76/86/740777686.db2.gz UZHYOHSBSPMJMW-BBWFWOEESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087837123 740777687 /nfs/dbraw/zinc/77/76/87/740777687.db2.gz UZHYOHSBSPMJMW-BBWFWOEESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087837123 740777690 /nfs/dbraw/zinc/77/76/90/740777690.db2.gz UZHYOHSBSPMJMW-BBWFWOEESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087837123 740777692 /nfs/dbraw/zinc/77/76/92/740777692.db2.gz UZHYOHSBSPMJMW-BBWFWOEESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992280 740933639 /nfs/dbraw/zinc/93/36/39/740933639.db2.gz NJNCSDBBWYCHPB-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992280 740933640 /nfs/dbraw/zinc/93/36/40/740933640.db2.gz NJNCSDBBWYCHPB-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992280 740933642 /nfs/dbraw/zinc/93/36/42/740933642.db2.gz NJNCSDBBWYCHPB-KURKYZTESA-N 2 1 319.493 1.931 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001088631653 742028569 /nfs/dbraw/zinc/02/85/69/742028569.db2.gz XZLMAEMHJKZJOR-NJAFHUGGSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085946 742527806 /nfs/dbraw/zinc/52/78/06/742527806.db2.gz JNAQEJRMXLNRKN-BBWFWOEESA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085946 742527811 /nfs/dbraw/zinc/52/78/11/742527811.db2.gz JNAQEJRMXLNRKN-BBWFWOEESA-N 2 1 301.434 1.027 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076323383 742666750 /nfs/dbraw/zinc/66/67/50/742666750.db2.gz PWYLCTHLRMCZCV-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCF)C[C@H]32)CC1 ZINC001076604505 742818796 /nfs/dbraw/zinc/81/87/96/742818796.db2.gz JLVDGLFVVCETRT-DLBZAZTESA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC=C)C[C@H]32)CC1 ZINC001076604484 742819108 /nfs/dbraw/zinc/81/91/08/742819108.db2.gz ILMFCQQTHDDZQV-DLBZAZTESA-N 2 1 301.434 1.050 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593910 743505511 /nfs/dbraw/zinc/50/55/11/743505511.db2.gz DJZWORCKEUFTBZ-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593910 743505519 /nfs/dbraw/zinc/50/55/19/743505519.db2.gz DJZWORCKEUFTBZ-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593910 743505529 /nfs/dbraw/zinc/50/55/29/743505529.db2.gz DJZWORCKEUFTBZ-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101172049 743694839 /nfs/dbraw/zinc/69/48/39/743694839.db2.gz USHWZPTYFHVEJZ-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101172049 743694843 /nfs/dbraw/zinc/69/48/43/743694843.db2.gz USHWZPTYFHVEJZ-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101172049 743694845 /nfs/dbraw/zinc/69/48/45/743694845.db2.gz USHWZPTYFHVEJZ-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001182718187 743696254 /nfs/dbraw/zinc/69/62/54/743696254.db2.gz DVOQZAGYFBVIBY-CZUORRHYSA-N 2 1 315.421 1.004 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001182718187 743696257 /nfs/dbraw/zinc/69/62/57/743696257.db2.gz DVOQZAGYFBVIBY-CZUORRHYSA-N 2 1 315.421 1.004 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183834712 743915832 /nfs/dbraw/zinc/91/58/32/743915832.db2.gz FOCCCDHYFBIPEN-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035796429 751884125 /nfs/dbraw/zinc/88/41/25/751884125.db2.gz CRCJTYYYWOXHFL-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185658916 744264908 /nfs/dbraw/zinc/26/49/08/744264908.db2.gz AEUJWNLDYJUTJZ-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985401 744542857 /nfs/dbraw/zinc/54/28/57/744542857.db2.gz UDPJTPVDFYQSPT-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985401 744542859 /nfs/dbraw/zinc/54/28/59/744542859.db2.gz UDPJTPVDFYQSPT-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985401 744542862 /nfs/dbraw/zinc/54/28/62/744542862.db2.gz UDPJTPVDFYQSPT-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035858056 751954856 /nfs/dbraw/zinc/95/48/56/751954856.db2.gz FRPLQTFMRAVHIP-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC)CC3)CC1 ZINC000992511436 744928124 /nfs/dbraw/zinc/92/81/24/744928124.db2.gz QWTQALPBUQSDTD-WMZOPIPTSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654287 745285854 /nfs/dbraw/zinc/28/58/54/745285854.db2.gz JHUDRRKMHJRIOU-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654287 745285856 /nfs/dbraw/zinc/28/58/56/745285856.db2.gz JHUDRRKMHJRIOU-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654287 745285859 /nfs/dbraw/zinc/28/58/59/745285859.db2.gz JHUDRRKMHJRIOU-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099236447 745813184 /nfs/dbraw/zinc/81/31/84/745813184.db2.gz ZNJDOSRZVNNVGR-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236447 745813186 /nfs/dbraw/zinc/81/31/86/745813186.db2.gz ZNJDOSRZVNNVGR-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236447 745813195 /nfs/dbraw/zinc/81/31/95/745813195.db2.gz ZNJDOSRZVNNVGR-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099240987 745853100 /nfs/dbraw/zinc/85/31/00/745853100.db2.gz XDBROGITJJYYMK-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240987 745853106 /nfs/dbraw/zinc/85/31/06/745853106.db2.gz XDBROGITJJYYMK-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240987 745853114 /nfs/dbraw/zinc/85/31/14/745853114.db2.gz XDBROGITJJYYMK-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765377 746044832 /nfs/dbraw/zinc/04/48/32/746044832.db2.gz ZABVSBSMYODDGB-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001196636618 746919559 /nfs/dbraw/zinc/91/95/59/746919559.db2.gz DQLQAVPCBNHYNO-GVDBMIGSSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001003319267 747124017 /nfs/dbraw/zinc/12/40/17/747124017.db2.gz VQICONQABMBUHQ-UHFFFAOYSA-N 2 1 314.433 1.366 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)CC(C)(C)C1 ZINC001089560989 747223163 /nfs/dbraw/zinc/22/31/63/747223163.db2.gz LTHFKHQVBHWGRJ-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC(C)(C)C1 ZINC001089560989 747223166 /nfs/dbraw/zinc/22/31/66/747223166.db2.gz LTHFKHQVBHWGRJ-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC(C)(C)C1 ZINC001089560989 747223169 /nfs/dbraw/zinc/22/31/69/747223169.db2.gz LTHFKHQVBHWGRJ-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089560989 747223176 /nfs/dbraw/zinc/22/31/76/747223176.db2.gz LTHFKHQVBHWGRJ-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089560989 747223182 /nfs/dbraw/zinc/22/31/82/747223182.db2.gz LTHFKHQVBHWGRJ-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001003482013 747242752 /nfs/dbraw/zinc/24/27/52/747242752.db2.gz QUTFIBXSYGJBMW-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007497159 752175745 /nfs/dbraw/zinc/17/57/45/752175745.db2.gz AZKAYRCEFLGDRC-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007497159 752175751 /nfs/dbraw/zinc/17/57/51/752175751.db2.gz AZKAYRCEFLGDRC-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007497159 752175757 /nfs/dbraw/zinc/17/57/57/752175757.db2.gz AZKAYRCEFLGDRC-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033078028 748210613 /nfs/dbraw/zinc/21/06/13/748210613.db2.gz VPHWTNVFTGHGRS-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806002 748351805 /nfs/dbraw/zinc/35/18/05/748351805.db2.gz OQUFKUWGKDRJGF-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053551 748408240 /nfs/dbraw/zinc/40/82/40/748408240.db2.gz SJYLJBDSIGFLFA-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001036240305 752287560 /nfs/dbraw/zinc/28/75/60/752287560.db2.gz NSSCBIKFCIGRGW-WMLDXEAASA-N 2 1 323.400 1.341 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036508 748796819 /nfs/dbraw/zinc/79/68/19/748796819.db2.gz MXJWQSWQIKPTHH-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114425375 749193965 /nfs/dbraw/zinc/19/39/65/749193965.db2.gz CQPPDAFGLDJVPK-CBZIJGRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114425375 749193967 /nfs/dbraw/zinc/19/39/67/749193967.db2.gz CQPPDAFGLDJVPK-CBZIJGRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114425375 749193970 /nfs/dbraw/zinc/19/39/70/749193970.db2.gz CQPPDAFGLDJVPK-CBZIJGRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365307 749253519 /nfs/dbraw/zinc/25/35/19/749253519.db2.gz MDNIODLYLYGPLA-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365307 749253522 /nfs/dbraw/zinc/25/35/22/749253522.db2.gz MDNIODLYLYGPLA-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365307 749253524 /nfs/dbraw/zinc/25/35/24/749253524.db2.gz MDNIODLYLYGPLA-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365307 749253527 /nfs/dbraw/zinc/25/35/27/749253527.db2.gz MDNIODLYLYGPLA-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033365180 749253876 /nfs/dbraw/zinc/25/38/76/749253876.db2.gz CIHLUPQTTNPPRM-ZBFHGGJFSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033365180 749253879 /nfs/dbraw/zinc/25/38/79/749253879.db2.gz CIHLUPQTTNPPRM-ZBFHGGJFSA-N 2 1 302.422 1.473 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC000995922051 749289913 /nfs/dbraw/zinc/28/99/13/749289913.db2.gz JFJSGLFJBAPLMZ-HOTGVXAUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC000995922051 749289919 /nfs/dbraw/zinc/28/99/19/749289919.db2.gz JFJSGLFJBAPLMZ-HOTGVXAUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1(C)C ZINC000996042824 749350060 /nfs/dbraw/zinc/35/00/60/749350060.db2.gz MVOHGDKUXNLKKH-INIZCTEOSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033466110 749392153 /nfs/dbraw/zinc/39/21/53/749392153.db2.gz HXQYBLNCMZEKAD-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001033466110 749392158 /nfs/dbraw/zinc/39/21/58/749392158.db2.gz HXQYBLNCMZEKAD-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996201100 749432100 /nfs/dbraw/zinc/43/21/00/749432100.db2.gz CWCAQBPYVWBSGO-GDBMZVCRSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100123719 761953038 /nfs/dbraw/zinc/95/30/38/761953038.db2.gz AYUQXZLDWNNUEJ-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033836087 749960136 /nfs/dbraw/zinc/96/01/36/749960136.db2.gz LDAZTSDDJHDELO-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cnc1C ZINC001089896414 750158963 /nfs/dbraw/zinc/15/89/63/750158963.db2.gz MOZKPNLDGXWMAC-HWMZRRJGSA-N 2 1 314.433 1.615 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034492125 750480899 /nfs/dbraw/zinc/48/08/99/750480899.db2.gz YKNROLORIDYURT-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034492125 750480902 /nfs/dbraw/zinc/48/09/02/750480902.db2.gz YKNROLORIDYURT-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001034653579 750632805 /nfs/dbraw/zinc/63/28/05/750632805.db2.gz NMPMUFVGKGKORE-FPCVCCKLSA-N 2 1 307.438 1.053 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034737205 750794113 /nfs/dbraw/zinc/79/41/13/750794113.db2.gz HLNDEFUADPTADQ-CYUUQNCZSA-N 2 1 313.873 1.954 20 30 DDEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CN(C)CCO1)CC2 ZINC001035170548 751256424 /nfs/dbraw/zinc/25/64/24/751256424.db2.gz QTOAIQRNGOABFK-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035170548 751256429 /nfs/dbraw/zinc/25/64/29/751256429.db2.gz QTOAIQRNGOABFK-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035170548 751256433 /nfs/dbraw/zinc/25/64/33/751256433.db2.gz QTOAIQRNGOABFK-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035170548 751256438 /nfs/dbraw/zinc/25/64/38/751256438.db2.gz QTOAIQRNGOABFK-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035170548 751256444 /nfs/dbraw/zinc/25/64/44/751256444.db2.gz QTOAIQRNGOABFK-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999351938 752854759 /nfs/dbraw/zinc/85/47/59/752854759.db2.gz HLFHLLPDNBLYQN-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999406880 752895248 /nfs/dbraw/zinc/89/52/48/752895248.db2.gz BDHPQCBQERMNKL-MQBCKMQZSA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000999412428 752898876 /nfs/dbraw/zinc/89/88/76/752898876.db2.gz QPFYGSMRRHTJSA-UHFFFAOYSA-N 2 1 318.421 1.649 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803956 754119874 /nfs/dbraw/zinc/11/98/74/754119874.db2.gz RDDYDAGHLYDSJH-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803956 754119876 /nfs/dbraw/zinc/11/98/76/754119876.db2.gz RDDYDAGHLYDSJH-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079849168 755620774 /nfs/dbraw/zinc/62/07/74/755620774.db2.gz PFSOWLCQPGUDKW-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079849168 755620780 /nfs/dbraw/zinc/62/07/80/755620780.db2.gz PFSOWLCQPGUDKW-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079849168 755620784 /nfs/dbraw/zinc/62/07/84/755620784.db2.gz PFSOWLCQPGUDKW-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080450988 755910943 /nfs/dbraw/zinc/91/09/43/755910943.db2.gz WALZQADOTYOGCF-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080450988 755910947 /nfs/dbraw/zinc/91/09/47/755910947.db2.gz WALZQADOTYOGCF-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH]ccc-3n2)[C@H](OC)C1 ZINC001081855250 756518448 /nfs/dbraw/zinc/51/84/48/756518448.db2.gz YGOUPJZSSGPHSO-HZPDHXFCSA-N 2 1 314.389 1.568 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852803 757982778 /nfs/dbraw/zinc/98/27/78/757982778.db2.gz OTCDYLWQBRPJDH-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852803 757982785 /nfs/dbraw/zinc/98/27/85/757982785.db2.gz OTCDYLWQBRPJDH-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852803 757982789 /nfs/dbraw/zinc/98/27/89/757982789.db2.gz OTCDYLWQBRPJDH-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCF)CC2)CC1 ZINC001052957553 758010658 /nfs/dbraw/zinc/01/06/58/758010658.db2.gz GMWASLKHOVDDBO-KRWDZBQOSA-N 2 1 323.456 1.662 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084939191 758082016 /nfs/dbraw/zinc/08/20/16/758082016.db2.gz VXLISERSZCGPPP-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084939191 758082023 /nfs/dbraw/zinc/08/20/23/758082023.db2.gz VXLISERSZCGPPP-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084939191 758082029 /nfs/dbraw/zinc/08/20/29/758082029.db2.gz VXLISERSZCGPPP-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084972069 758112548 /nfs/dbraw/zinc/11/25/48/758112548.db2.gz NDTCPWHUPDDTTQ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972069 758112552 /nfs/dbraw/zinc/11/25/52/758112552.db2.gz NDTCPWHUPDDTTQ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972069 758112561 /nfs/dbraw/zinc/11/25/61/758112561.db2.gz NDTCPWHUPDDTTQ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017711 758152986 /nfs/dbraw/zinc/15/29/86/758152986.db2.gz UGLHPORWHHTNMQ-YVSFHVDLSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017711 758152990 /nfs/dbraw/zinc/15/29/90/758152990.db2.gz UGLHPORWHHTNMQ-YVSFHVDLSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017711 758152997 /nfs/dbraw/zinc/15/29/97/758152997.db2.gz UGLHPORWHHTNMQ-YVSFHVDLSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032238 758163140 /nfs/dbraw/zinc/16/31/40/758163140.db2.gz XHMIVZDGUZZUCW-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032238 758163151 /nfs/dbraw/zinc/16/31/51/758163151.db2.gz XHMIVZDGUZZUCW-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032238 758163156 /nfs/dbraw/zinc/16/31/56/758163156.db2.gz XHMIVZDGUZZUCW-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC1CC[NH+](C)CC1 ZINC001018114381 758557540 /nfs/dbraw/zinc/55/75/40/758557540.db2.gz VGKYHCCOBBHUES-IYBDPMFKSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001085377318 759314926 /nfs/dbraw/zinc/31/49/26/759314926.db2.gz RQLJRHKHAGHIQX-IAGOWNOFSA-N 2 1 323.400 1.531 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054241297 759333329 /nfs/dbraw/zinc/33/33/29/759333329.db2.gz PCMZQXNVCBAXPT-SFHVURJKSA-N 2 1 303.450 1.420 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597655 759809858 /nfs/dbraw/zinc/80/98/58/759809858.db2.gz CFWIDXZJEHZIIE-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639875 759914280 /nfs/dbraw/zinc/91/42/80/759914280.db2.gz YGPAWMRBBRIAHY-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639875 759914287 /nfs/dbraw/zinc/91/42/87/759914287.db2.gz YGPAWMRBBRIAHY-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCC1 ZINC001085646582 759928311 /nfs/dbraw/zinc/92/83/11/759928311.db2.gz IVLAVDOJASHABT-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001085646582 759928315 /nfs/dbraw/zinc/92/83/15/759928315.db2.gz IVLAVDOJASHABT-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCC1 ZINC001085646582 759928322 /nfs/dbraw/zinc/92/83/22/759928322.db2.gz IVLAVDOJASHABT-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCCC1 ZINC001085646582 759928330 /nfs/dbraw/zinc/92/83/30/759928330.db2.gz IVLAVDOJASHABT-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038865358 761488364 /nfs/dbraw/zinc/48/83/64/761488364.db2.gz JWYJMPQUSGDEGW-MRXNPFEDSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001038865358 761488367 /nfs/dbraw/zinc/48/83/67/761488367.db2.gz JWYJMPQUSGDEGW-MRXNPFEDSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041537004 763115860 /nfs/dbraw/zinc/11/58/60/763115860.db2.gz SOPVIZFKTMRGIJ-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041604471 763172996 /nfs/dbraw/zinc/17/29/96/763172996.db2.gz DGVPNRHUCMOQAN-SFHVURJKSA-N 2 1 315.417 1.512 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050140754 763203568 /nfs/dbraw/zinc/20/35/68/763203568.db2.gz PGHDYMXJJZALGQ-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050140754 763203578 /nfs/dbraw/zinc/20/35/78/763203578.db2.gz PGHDYMXJJZALGQ-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050140754 763203589 /nfs/dbraw/zinc/20/35/89/763203589.db2.gz PGHDYMXJJZALGQ-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846164 763402955 /nfs/dbraw/zinc/40/29/55/763402955.db2.gz YHTDCVOQLVHJGL-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846164 763402957 /nfs/dbraw/zinc/40/29/57/763402957.db2.gz YHTDCVOQLVHJGL-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846164 763402959 /nfs/dbraw/zinc/40/29/59/763402959.db2.gz YHTDCVOQLVHJGL-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046942407 768138497 /nfs/dbraw/zinc/13/84/97/768138497.db2.gz UXJBCYYLBHFOOJ-HZSPNIEDSA-N 2 1 313.392 1.033 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046942407 768138504 /nfs/dbraw/zinc/13/85/04/768138504.db2.gz UXJBCYYLBHFOOJ-HZSPNIEDSA-N 2 1 313.392 1.033 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046942407 768138508 /nfs/dbraw/zinc/13/85/08/768138508.db2.gz UXJBCYYLBHFOOJ-HZSPNIEDSA-N 2 1 313.392 1.033 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046942407 768138512 /nfs/dbraw/zinc/13/85/12/768138512.db2.gz UXJBCYYLBHFOOJ-HZSPNIEDSA-N 2 1 313.392 1.033 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001109472805 763741150 /nfs/dbraw/zinc/74/11/50/763741150.db2.gz GQKSOGOCCGBYQA-IKGGRYGDSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001109472805 763741154 /nfs/dbraw/zinc/74/11/54/763741154.db2.gz GQKSOGOCCGBYQA-IKGGRYGDSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472805 763741162 /nfs/dbraw/zinc/74/11/62/763741162.db2.gz GQKSOGOCCGBYQA-IKGGRYGDSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001109472805 763741168 /nfs/dbraw/zinc/74/11/68/763741168.db2.gz GQKSOGOCCGBYQA-IKGGRYGDSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C(C)C)CC2 ZINC001050551244 763745058 /nfs/dbraw/zinc/74/50/58/763745058.db2.gz SWLADWVLWDRESG-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C(C)C)CC2 ZINC001050551244 763745067 /nfs/dbraw/zinc/74/50/67/763745067.db2.gz SWLADWVLWDRESG-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001109824608 764094929 /nfs/dbraw/zinc/09/49/29/764094929.db2.gz FNLXWGYFRDKJDA-UKMLZYKCSA-N 2 1 300.406 1.333 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001109824608 764094938 /nfs/dbraw/zinc/09/49/38/764094938.db2.gz FNLXWGYFRDKJDA-UKMLZYKCSA-N 2 1 300.406 1.333 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001112586425 764428175 /nfs/dbraw/zinc/42/81/75/764428175.db2.gz YHTATYMLEYTWMJ-SCTDSRPQSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112964520 765052123 /nfs/dbraw/zinc/05/21/23/765052123.db2.gz ZSLUWDJPFZGCDS-KRWDZBQOSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112964520 765052125 /nfs/dbraw/zinc/05/21/25/765052125.db2.gz ZSLUWDJPFZGCDS-KRWDZBQOSA-N 2 1 323.481 1.311 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131693542 768276865 /nfs/dbraw/zinc/27/68/65/768276865.db2.gz QILVUTSVWVWAFV-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131693542 768276868 /nfs/dbraw/zinc/27/68/68/768276868.db2.gz QILVUTSVWVWAFV-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131693542 768276873 /nfs/dbraw/zinc/27/68/73/768276873.db2.gz QILVUTSVWVWAFV-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131696793 768278330 /nfs/dbraw/zinc/27/83/30/768278330.db2.gz AMTLFTJKUAIIKN-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696793 768278336 /nfs/dbraw/zinc/27/83/36/768278336.db2.gz AMTLFTJKUAIIKN-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696793 768278340 /nfs/dbraw/zinc/27/83/40/768278340.db2.gz AMTLFTJKUAIIKN-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466434 765620116 /nfs/dbraw/zinc/62/01/16/765620116.db2.gz DESQFQVJLRGEME-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653932 766042372 /nfs/dbraw/zinc/04/23/72/766042372.db2.gz SYPSDTXPPBMBBC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653932 766042380 /nfs/dbraw/zinc/04/23/80/766042380.db2.gz SYPSDTXPPBMBBC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653932 766042387 /nfs/dbraw/zinc/04/23/87/766042387.db2.gz SYPSDTXPPBMBBC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653932 766042391 /nfs/dbraw/zinc/04/23/91/766042391.db2.gz SYPSDTXPPBMBBC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662138 766050627 /nfs/dbraw/zinc/05/06/27/766050627.db2.gz FYQPADOSUDRJHI-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662138 766050635 /nfs/dbraw/zinc/05/06/35/766050635.db2.gz FYQPADOSUDRJHI-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001045643279 766470900 /nfs/dbraw/zinc/47/09/00/766470900.db2.gz FWEUZGYQRVMKJD-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045643279 766470902 /nfs/dbraw/zinc/47/09/02/766470902.db2.gz FWEUZGYQRVMKJD-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+]2CCCC2)C1 ZINC001130445755 767528423 /nfs/dbraw/zinc/52/84/23/767528423.db2.gz BUVDCBAGBZZMOF-CQSZACIVSA-N 2 1 317.437 1.097 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132139799 768645050 /nfs/dbraw/zinc/64/50/50/768645050.db2.gz BUXRHIKODQBRAH-HZPDHXFCSA-N 2 1 314.433 1.510 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001132488937 768921091 /nfs/dbraw/zinc/92/10/91/768921091.db2.gz DGIXDLZECNTHAH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001048512141 769473216 /nfs/dbraw/zinc/47/32/16/769473216.db2.gz NIKMQYVJOBQGBR-YYIAUSFCSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048512141 769473222 /nfs/dbraw/zinc/47/32/22/769473222.db2.gz NIKMQYVJOBQGBR-YYIAUSFCSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048512141 769473229 /nfs/dbraw/zinc/47/32/29/769473229.db2.gz NIKMQYVJOBQGBR-YYIAUSFCSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133320130 769690320 /nfs/dbraw/zinc/69/03/20/769690320.db2.gz ZANVQNQNDMFRFT-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048817213 769935450 /nfs/dbraw/zinc/93/54/50/769935450.db2.gz KHADMKGABMAUJX-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817213 769935454 /nfs/dbraw/zinc/93/54/54/769935454.db2.gz KHADMKGABMAUJX-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048817213 769935462 /nfs/dbraw/zinc/93/54/62/769935462.db2.gz KHADMKGABMAUJX-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888304 770056851 /nfs/dbraw/zinc/05/68/51/770056851.db2.gz NDOWSCSRXWTDKS-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888304 770056864 /nfs/dbraw/zinc/05/68/64/770056864.db2.gz NDOWSCSRXWTDKS-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888304 770056878 /nfs/dbraw/zinc/05/68/78/770056878.db2.gz NDOWSCSRXWTDKS-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959105 770167094 /nfs/dbraw/zinc/16/70/94/770167094.db2.gz CWGKKBNJVPSIQZ-FGTMMUONSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@@H]1C ZINC001071890376 770235786 /nfs/dbraw/zinc/23/57/86/770235786.db2.gz KTXHRSLCKHSHSW-GOEBONIOSA-N 2 1 319.453 1.213 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107445 770390662 /nfs/dbraw/zinc/39/06/62/770390662.db2.gz JVTZGENRECUUNZ-YVSFHVDLSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107445 770390673 /nfs/dbraw/zinc/39/06/73/770390673.db2.gz JVTZGENRECUUNZ-YVSFHVDLSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107445 770390684 /nfs/dbraw/zinc/39/06/84/770390684.db2.gz JVTZGENRECUUNZ-YVSFHVDLSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC001049131148 770432263 /nfs/dbraw/zinc/43/22/63/770432263.db2.gz GEMSUTGZOVOBIG-CALCHBBNSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170760 770494443 /nfs/dbraw/zinc/49/44/43/770494443.db2.gz DLAVXPUXOAZWCA-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=C)C)C2)CC1 ZINC001072096298 770537211 /nfs/dbraw/zinc/53/72/11/770537211.db2.gz XFGLDTVQYXECPR-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049233676 770579620 /nfs/dbraw/zinc/57/96/20/770579620.db2.gz PCCVVZACTKCMCB-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049233676 770579626 /nfs/dbraw/zinc/57/96/26/770579626.db2.gz PCCVVZACTKCMCB-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049233676 770579632 /nfs/dbraw/zinc/57/96/32/770579632.db2.gz PCCVVZACTKCMCB-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049482501 770912188 /nfs/dbraw/zinc/91/21/88/770912188.db2.gz OAFHVNJPDNAVCT-BSDSXHPESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482501 770912193 /nfs/dbraw/zinc/91/21/93/770912193.db2.gz OAFHVNJPDNAVCT-BSDSXHPESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049482501 770912198 /nfs/dbraw/zinc/91/21/98/770912198.db2.gz OAFHVNJPDNAVCT-BSDSXHPESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC=C)CC1 ZINC001049918820 771259481 /nfs/dbraw/zinc/25/94/81/771259481.db2.gz MUFJWXJJNSTXQB-ROUUACIJSA-N 2 1 315.461 1.583 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020952 771281421 /nfs/dbraw/zinc/28/14/21/771281421.db2.gz KHEJIRJKSNLWBK-HUUCEWRRSA-N 2 1 316.449 1.658 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995736 771825822 /nfs/dbraw/zinc/82/58/22/771825822.db2.gz KFNOWPDUXXAIHH-HZPDHXFCSA-N 2 1 313.486 1.794 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)[C@@H](O)C1 ZINC001090617189 772043363 /nfs/dbraw/zinc/04/33/63/772043363.db2.gz SWFOMPWLBHGUFU-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001090617189 772043375 /nfs/dbraw/zinc/04/33/75/772043375.db2.gz SWFOMPWLBHGUFU-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001171069213 772219728 /nfs/dbraw/zinc/21/97/28/772219728.db2.gz CJQOMCOFFZLZHG-LBPRGKRZSA-N 2 1 317.393 1.784 20 30 DDEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001171189900 772539459 /nfs/dbraw/zinc/53/94/59/772539459.db2.gz NWBQIWVNRVMIJF-OAHLLOKOSA-N 2 1 314.433 1.243 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001091232424 772630764 /nfs/dbraw/zinc/63/07/64/772630764.db2.gz OQJIEHQHCVEEJK-HWOWSKLDSA-N 2 1 316.449 1.814 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091543878 772817816 /nfs/dbraw/zinc/81/78/16/772817816.db2.gz PHMBIBWOXLNUOF-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543878 772817818 /nfs/dbraw/zinc/81/78/18/772817818.db2.gz PHMBIBWOXLNUOF-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091543878 772817822 /nfs/dbraw/zinc/81/78/22/772817822.db2.gz PHMBIBWOXLNUOF-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298261 773092408 /nfs/dbraw/zinc/09/24/08/773092408.db2.gz SDHTUAQINMOEDK-CVEARBPZSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298261 773092414 /nfs/dbraw/zinc/09/24/14/773092414.db2.gz SDHTUAQINMOEDK-CVEARBPZSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298261 773092418 /nfs/dbraw/zinc/09/24/18/773092418.db2.gz SDHTUAQINMOEDK-CVEARBPZSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298261 773092420 /nfs/dbraw/zinc/09/24/20/773092420.db2.gz SDHTUAQINMOEDK-CVEARBPZSA-N 2 1 321.465 1.206 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001148638097 773560491 /nfs/dbraw/zinc/56/04/91/773560491.db2.gz BZCVYNOEVGZKAF-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956796 773744063 /nfs/dbraw/zinc/74/40/63/773744063.db2.gz XRUUQYRNENRECQ-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953697 773891638 /nfs/dbraw/zinc/89/16/38/773891638.db2.gz QJXCHYOABCBNIJ-CUSZFKRNSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953697 773891649 /nfs/dbraw/zinc/89/16/49/773891649.db2.gz QJXCHYOABCBNIJ-CUSZFKRNSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953697 773891657 /nfs/dbraw/zinc/89/16/57/773891657.db2.gz QJXCHYOABCBNIJ-CUSZFKRNSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099147 773944359 /nfs/dbraw/zinc/94/43/59/773944359.db2.gz HMIBMRBBRHWAOZ-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099147 773944365 /nfs/dbraw/zinc/94/43/65/773944365.db2.gz HMIBMRBBRHWAOZ-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092199264 774000994 /nfs/dbraw/zinc/00/09/94/774000994.db2.gz IFTHOUIXVNQIFS-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092199264 774000998 /nfs/dbraw/zinc/00/09/98/774000998.db2.gz IFTHOUIXVNQIFS-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092199264 774001002 /nfs/dbraw/zinc/00/10/02/774001002.db2.gz IFTHOUIXVNQIFS-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001074880642 774210861 /nfs/dbraw/zinc/21/08/61/774210861.db2.gz OQNKBTHEGZKKME-NOLJZWGESA-N 2 1 302.422 1.519 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773147 774269528 /nfs/dbraw/zinc/26/95/28/774269528.db2.gz KLNIMURPJSVRDR-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001075111496 774362784 /nfs/dbraw/zinc/36/27/84/774362784.db2.gz KXRQRWJOGHLCJR-PMPSAXMXSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036735928 774428940 /nfs/dbraw/zinc/42/89/40/774428940.db2.gz RWOXWFOEOVEKEF-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001093391196 774650052 /nfs/dbraw/zinc/65/00/52/774650052.db2.gz OMCQPITXJKPIRS-PQUAAJSLSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001098872972 774701637 /nfs/dbraw/zinc/70/16/37/774701637.db2.gz GAMZMCGZNNOQTH-LNLFQRSKSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098872972 774701639 /nfs/dbraw/zinc/70/16/39/774701639.db2.gz GAMZMCGZNNOQTH-LNLFQRSKSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001098872972 774701644 /nfs/dbraw/zinc/70/16/44/774701644.db2.gz GAMZMCGZNNOQTH-LNLFQRSKSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001098898002 774710643 /nfs/dbraw/zinc/71/06/43/774710643.db2.gz AVXDDAMVIIPEHQ-HPFXQQBRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001098898002 774710647 /nfs/dbraw/zinc/71/06/47/774710647.db2.gz AVXDDAMVIIPEHQ-HPFXQQBRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898002 774710650 /nfs/dbraw/zinc/71/06/50/774710650.db2.gz AVXDDAMVIIPEHQ-HPFXQQBRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898002 774710654 /nfs/dbraw/zinc/71/06/54/774710654.db2.gz AVXDDAMVIIPEHQ-HPFXQQBRSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036836454 774813427 /nfs/dbraw/zinc/81/34/27/774813427.db2.gz QLJOPSKTYIRPBF-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001099306791 774940715 /nfs/dbraw/zinc/94/07/15/774940715.db2.gz UCLMELKITQOUBO-YNEHKIRRSA-N 2 1 319.371 1.636 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036872170 775010792 /nfs/dbraw/zinc/01/07/92/775010792.db2.gz XENXNCWFLFRZAH-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001099556783 775029707 /nfs/dbraw/zinc/02/97/07/775029707.db2.gz QOTCPNYFNZNIMQ-QAETUUGQSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099556783 775029715 /nfs/dbraw/zinc/02/97/15/775029715.db2.gz QOTCPNYFNZNIMQ-QAETUUGQSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099556783 775029722 /nfs/dbraw/zinc/02/97/22/775029722.db2.gz QOTCPNYFNZNIMQ-QAETUUGQSA-N 2 1 305.466 1.681 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100039957 775605278 /nfs/dbraw/zinc/60/52/78/775605278.db2.gz YZVPMHDNBUUAMZ-DLBZAZTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100039957 775605284 /nfs/dbraw/zinc/60/52/84/775605284.db2.gz YZVPMHDNBUUAMZ-DLBZAZTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100039957 775605290 /nfs/dbraw/zinc/60/52/90/775605290.db2.gz YZVPMHDNBUUAMZ-DLBZAZTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403636 776104998 /nfs/dbraw/zinc/10/49/98/776104998.db2.gz UGQMNZXRGWIUNW-CGZBRXJRSA-N 2 1 305.466 1.472 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257176 777015679 /nfs/dbraw/zinc/01/56/79/777015679.db2.gz JTBVDDMUGXLLKQ-INMHGKMJSA-N 2 1 309.429 1.080 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101344858 777086012 /nfs/dbraw/zinc/08/60/12/777086012.db2.gz HXLZOCWANRUQJD-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101976256 777756527 /nfs/dbraw/zinc/75/65/27/777756527.db2.gz RYRVGMBIVKTYKO-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479807 778161459 /nfs/dbraw/zinc/16/14/59/778161459.db2.gz IZFHDFXYUJHPNA-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001176972206 778358508 /nfs/dbraw/zinc/35/85/08/778358508.db2.gz QKEQCSMFQCMYPT-UHFFFAOYSA-N 2 1 302.422 1.494 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001177267699 778522975 /nfs/dbraw/zinc/52/29/75/778522975.db2.gz WHJYDVUDVMRXFY-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103088701 778630276 /nfs/dbraw/zinc/63/02/76/778630276.db2.gz PGHIPTIRNOJKSZ-DJIMGWMZSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308931 778775155 /nfs/dbraw/zinc/77/51/55/778775155.db2.gz KTQDDPNKUUFLHO-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103718925 779009501 /nfs/dbraw/zinc/00/95/01/779009501.db2.gz KOGMRIJXEQPBPC-YUELXQCFSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103718925 779009505 /nfs/dbraw/zinc/00/95/05/779009505.db2.gz KOGMRIJXEQPBPC-YUELXQCFSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103718925 779009511 /nfs/dbraw/zinc/00/95/11/779009511.db2.gz KOGMRIJXEQPBPC-YUELXQCFSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178535457 779083058 /nfs/dbraw/zinc/08/30/58/779083058.db2.gz JSLBZCXEYCFCJR-IAGOWNOFSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982068 779231187 /nfs/dbraw/zinc/23/11/87/779231187.db2.gz JUSYSZPCWBCDKW-FXUDXRNXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178982068 779231193 /nfs/dbraw/zinc/23/11/93/779231193.db2.gz JUSYSZPCWBCDKW-FXUDXRNXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179539397 779412346 /nfs/dbraw/zinc/41/23/46/779412346.db2.gz WXOSLVXKKSOPSD-PMPSAXMXSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112006231 779595594 /nfs/dbraw/zinc/59/55/94/779595594.db2.gz OXNXIYUEPLTAAU-HKUYNNGSSA-N 2 1 317.477 1.856 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112189147 779643539 /nfs/dbraw/zinc/64/35/39/779643539.db2.gz SBUHXDMTXKKFHA-VXGBXAGGSA-N 2 1 307.360 1.493 20 30 DDEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180260273 779682306 /nfs/dbraw/zinc/68/23/06/779682306.db2.gz WCRHLWFTEVXZSN-CQSZACIVSA-N 2 1 301.862 1.957 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291347 779693823 /nfs/dbraw/zinc/69/38/23/779693823.db2.gz GZWFGCPATVXJPY-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291347 779693830 /nfs/dbraw/zinc/69/38/30/779693830.db2.gz GZWFGCPATVXJPY-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC001119905224 781675703 /nfs/dbraw/zinc/67/57/03/781675703.db2.gz QECAAMYZWYYQAA-UHFFFAOYSA-N 2 1 300.406 1.263 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267168779 837455341 /nfs/dbraw/zinc/45/53/41/837455341.db2.gz WWJNQYULQZFCAR-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001267175627 837472294 /nfs/dbraw/zinc/47/22/94/837472294.db2.gz XCMCLRNOHMACLM-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001267324757 837828014 /nfs/dbraw/zinc/82/80/14/837828014.db2.gz SQPOEEVPGYEBEF-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C(C)C ZINC001267324757 837828018 /nfs/dbraw/zinc/82/80/18/837828018.db2.gz SQPOEEVPGYEBEF-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C(C)C ZINC001267324757 837828031 /nfs/dbraw/zinc/82/80/31/837828031.db2.gz SQPOEEVPGYEBEF-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001266431370 836244205 /nfs/dbraw/zinc/24/42/05/836244205.db2.gz NJAZOMDWWSKOGU-YOEHRIQHSA-N 2 1 309.429 1.317 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266471993 836312589 /nfs/dbraw/zinc/31/25/89/836312589.db2.gz ABXMCPXUSWSYFY-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266471993 836312603 /nfs/dbraw/zinc/31/26/03/836312603.db2.gz ABXMCPXUSWSYFY-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266471993 836312610 /nfs/dbraw/zinc/31/26/10/836312610.db2.gz ABXMCPXUSWSYFY-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266895988 837018229 /nfs/dbraw/zinc/01/82/29/837018229.db2.gz VTNXDJIHDGOEBQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266895988 837018236 /nfs/dbraw/zinc/01/82/36/837018236.db2.gz VTNXDJIHDGOEBQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267059508 837268397 /nfs/dbraw/zinc/26/83/97/837268397.db2.gz YNCRLEFNCWWCIT-INIZCTEOSA-N 2 1 323.481 1.052 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001267356280 837899790 /nfs/dbraw/zinc/89/97/90/837899790.db2.gz CLBBWUJPULRYDS-IRXDYDNUSA-N 2 1 317.433 1.340 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001267356280 837899793 /nfs/dbraw/zinc/89/97/93/837899793.db2.gz CLBBWUJPULRYDS-IRXDYDNUSA-N 2 1 317.433 1.340 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267362938 837914701 /nfs/dbraw/zinc/91/47/01/837914701.db2.gz XPAWJYJQPXLXSQ-ROUUACIJSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267492168 838173186 /nfs/dbraw/zinc/17/31/86/838173186.db2.gz SDFZPKPXBGKOPB-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267570980 838329390 /nfs/dbraw/zinc/32/93/90/838329390.db2.gz HLBWDVWNWGHOOE-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001268193236 839819356 /nfs/dbraw/zinc/81/93/56/839819356.db2.gz VAOJHUWOBFTTFM-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC001268238550 839876160 /nfs/dbraw/zinc/87/61/60/839876160.db2.gz HTEMZVKNRJJTPH-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC001268238550 839876169 /nfs/dbraw/zinc/87/61/69/839876169.db2.gz HTEMZVKNRJJTPH-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H]1CCCCO1 ZINC001268238550 839876181 /nfs/dbraw/zinc/87/61/81/839876181.db2.gz HTEMZVKNRJJTPH-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H]1CCCCO1 ZINC001268238550 839876188 /nfs/dbraw/zinc/87/61/88/839876188.db2.gz HTEMZVKNRJJTPH-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001269333215 841530646 /nfs/dbraw/zinc/53/06/46/841530646.db2.gz UIVDMJFVSWGSDR-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001269333215 841530650 /nfs/dbraw/zinc/53/06/50/841530650.db2.gz UIVDMJFVSWGSDR-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001269333215 841530655 /nfs/dbraw/zinc/53/06/55/841530655.db2.gz UIVDMJFVSWGSDR-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001270136017 842324017 /nfs/dbraw/zinc/32/40/17/842324017.db2.gz AKGKQQYXCQLSIV-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001270151824 842341037 /nfs/dbraw/zinc/34/10/37/842341037.db2.gz WWXJTHZDECOQMK-QGZVFWFLSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](C(C)C)CC1 ZINC001270358467 842513468 /nfs/dbraw/zinc/51/34/68/842513468.db2.gz IKTFCVQWPSBLMX-INIZCTEOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319666 848324778 /nfs/dbraw/zinc/32/47/78/848324778.db2.gz KAVGODQCXSBHOZ-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319666 848324784 /nfs/dbraw/zinc/32/47/84/848324784.db2.gz KAVGODQCXSBHOZ-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319666 848324788 /nfs/dbraw/zinc/32/47/88/848324788.db2.gz KAVGODQCXSBHOZ-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329640 848334450 /nfs/dbraw/zinc/33/44/50/848334450.db2.gz ILFPSYDGJDGGRE-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329640 848334455 /nfs/dbraw/zinc/33/44/55/848334455.db2.gz ILFPSYDGJDGGRE-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034433843 848521729 /nfs/dbraw/zinc/52/17/29/848521729.db2.gz HDKJQPLGCVNYBB-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034433843 848521734 /nfs/dbraw/zinc/52/17/34/848521734.db2.gz HDKJQPLGCVNYBB-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433843 848521736 /nfs/dbraw/zinc/52/17/36/848521736.db2.gz HDKJQPLGCVNYBB-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433843 848521739 /nfs/dbraw/zinc/52/17/39/848521739.db2.gz HDKJQPLGCVNYBB-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001149804603 861915639 /nfs/dbraw/zinc/91/56/39/861915639.db2.gz RZWSXUKVRBDRFA-GJZGRUSLSA-N 2 1 315.433 1.059 20 30 DDEDMP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001274318969 852153840 /nfs/dbraw/zinc/15/38/40/852153840.db2.gz VXVVSXBTHVNYGB-YVACAVLKSA-N 2 1 300.406 1.039 20 30 DDEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001275609610 853430520 /nfs/dbraw/zinc/43/05/20/853430520.db2.gz XXTIECIYEISTTG-UHFFFAOYSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150779220 862464421 /nfs/dbraw/zinc/46/44/21/862464421.db2.gz QCIXZCOZUKUWQQ-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001275915757 853934601 /nfs/dbraw/zinc/93/46/01/853934601.db2.gz QIIIWBUUCVWCKH-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001449136142 854220754 /nfs/dbraw/zinc/22/07/54/854220754.db2.gz JSRDNSXSUUUMGV-ZIAGYGMSSA-N 2 1 317.861 1.022 20 30 DDEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001151326773 862727931 /nfs/dbraw/zinc/72/79/31/862727931.db2.gz KFNFDPOADRMJDW-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(CN(C)C)on1 ZINC001049564405 856980798 /nfs/dbraw/zinc/98/07/98/856980798.db2.gz METZLYFOQLEUKS-HOTGVXAUSA-N 2 1 316.405 1.048 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732496 857648998 /nfs/dbraw/zinc/64/89/98/857648998.db2.gz MMPMULCZRVYKSZ-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732496 857649002 /nfs/dbraw/zinc/64/90/02/857649002.db2.gz MMPMULCZRVYKSZ-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732496 857649007 /nfs/dbraw/zinc/64/90/07/857649007.db2.gz MMPMULCZRVYKSZ-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072827703 857764646 /nfs/dbraw/zinc/76/46/46/857764646.db2.gz VMCHMZOSSPTLBA-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072827703 857764652 /nfs/dbraw/zinc/76/46/52/857764652.db2.gz VMCHMZOSSPTLBA-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072827703 857764664 /nfs/dbraw/zinc/76/46/64/857764664.db2.gz VMCHMZOSSPTLBA-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001072918027 857888797 /nfs/dbraw/zinc/88/87/97/857888797.db2.gz NVODSSYYMLVBHZ-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918027 857888798 /nfs/dbraw/zinc/88/87/98/857888798.db2.gz NVODSSYYMLVBHZ-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001072918027 857888802 /nfs/dbraw/zinc/88/88/02/857888802.db2.gz NVODSSYYMLVBHZ-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001328491990 863004666 /nfs/dbraw/zinc/00/46/66/863004666.db2.gz LVZCUAATCGUSEI-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460639 858355569 /nfs/dbraw/zinc/35/55/69/858355569.db2.gz BFWZSHYQMZMIHG-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001329623157 863756509 /nfs/dbraw/zinc/75/65/09/863756509.db2.gz IVZIHURJCRFKCS-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001329736084 863819569 /nfs/dbraw/zinc/81/95/69/863819569.db2.gz SIOXXUXLQICIMB-JKSUJKDBSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001329736084 863819566 /nfs/dbraw/zinc/81/95/66/863819566.db2.gz SIOXXUXLQICIMB-JKSUJKDBSA-N 2 1 311.470 1.356 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC#CCOC)CC1 ZINC001225245132 881739652 /nfs/dbraw/zinc/73/96/52/881739652.db2.gz PNPDWCZFARCHBT-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC001331261965 864974698 /nfs/dbraw/zinc/97/46/98/864974698.db2.gz XSTGPVQYLQJUCO-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC001331261965 864974706 /nfs/dbraw/zinc/97/47/06/864974706.db2.gz XSTGPVQYLQJUCO-QGZVFWFLSA-N 2 1 320.481 1.505 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332031655 865517463 /nfs/dbraw/zinc/51/74/63/865517463.db2.gz LMDIXNKMDTUMCJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159877701 865577478 /nfs/dbraw/zinc/57/74/78/865577478.db2.gz SDJRSIRUBNAWNR-JKSUJKDBSA-N 2 1 321.469 1.264 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160150659 865699881 /nfs/dbraw/zinc/69/98/81/865699881.db2.gz OVGIKTWOQNYBCO-KRWDZBQOSA-N 2 1 303.450 1.653 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1scnc1C ZINC001160197880 865722827 /nfs/dbraw/zinc/72/28/27/865722827.db2.gz MAJCRYDDDLDXGN-AWEZNQCLSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1scnc1C ZINC001160197880 865722834 /nfs/dbraw/zinc/72/28/34/865722834.db2.gz MAJCRYDDDLDXGN-AWEZNQCLSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC2CC2)CC1 ZINC001160386430 865809718 /nfs/dbraw/zinc/80/97/18/865809718.db2.gz YLCZUISSPOPTGU-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160386430 865809729 /nfs/dbraw/zinc/80/97/29/865809729.db2.gz YLCZUISSPOPTGU-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001160386430 865809739 /nfs/dbraw/zinc/80/97/39/865809739.db2.gz YLCZUISSPOPTGU-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC2CC2)CC1 ZINC001160386430 865809747 /nfs/dbraw/zinc/80/97/47/865809747.db2.gz YLCZUISSPOPTGU-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001319875423 866363109 /nfs/dbraw/zinc/36/31/09/866363109.db2.gz TUXCDNAVAXRKIV-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001319875423 866363121 /nfs/dbraw/zinc/36/31/21/866363121.db2.gz TUXCDNAVAXRKIV-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001319875423 866363125 /nfs/dbraw/zinc/36/31/25/866363125.db2.gz TUXCDNAVAXRKIV-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001319875423 866363131 /nfs/dbraw/zinc/36/31/31/866363131.db2.gz TUXCDNAVAXRKIV-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001161445477 866671261 /nfs/dbraw/zinc/67/12/61/866671261.db2.gz SHZPIFZAPRBLJK-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001161445477 866671269 /nfs/dbraw/zinc/67/12/69/866671269.db2.gz SHZPIFZAPRBLJK-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001161445477 866671275 /nfs/dbraw/zinc/67/12/75/866671275.db2.gz SHZPIFZAPRBLJK-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001333447028 866752280 /nfs/dbraw/zinc/75/22/80/866752280.db2.gz GCTZQPUOIQQZAJ-UHFFFAOYSA-N 2 1 318.421 1.142 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001333447028 866752286 /nfs/dbraw/zinc/75/22/86/866752286.db2.gz GCTZQPUOIQQZAJ-UHFFFAOYSA-N 2 1 318.421 1.142 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001324463260 867292780 /nfs/dbraw/zinc/29/27/80/867292780.db2.gz BUXSUPVXKIGCHY-HZPDHXFCSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001324463260 867292794 /nfs/dbraw/zinc/29/27/94/867292794.db2.gz BUXSUPVXKIGCHY-HZPDHXFCSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001324656126 867431351 /nfs/dbraw/zinc/43/13/51/867431351.db2.gz KLEZZELSGBWIRB-WMZOPIPTSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001321543084 867656955 /nfs/dbraw/zinc/65/69/55/867656955.db2.gz FGLXZZXSLMMWDJ-RYRKJORJSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001321543084 867656959 /nfs/dbraw/zinc/65/69/59/867656959.db2.gz FGLXZZXSLMMWDJ-RYRKJORJSA-N 2 1 313.445 1.940 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001325286706 867914381 /nfs/dbraw/zinc/91/43/81/867914381.db2.gz YYYHXHAYGYUCSE-CVEARBPZSA-N 2 1 321.465 1.132 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001325286706 867914407 /nfs/dbraw/zinc/91/44/07/867914407.db2.gz YYYHXHAYGYUCSE-CVEARBPZSA-N 2 1 321.465 1.132 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NCc1nnc2n1CCC[NH2+]C2 ZINC001163011483 867995762 /nfs/dbraw/zinc/99/57/62/867995762.db2.gz KETDHNGUMGRXRW-UHFFFAOYSA-N 2 1 324.392 1.314 20 30 DDEDMP Cc1[nH+]c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)ccc1CC#N ZINC001165314404 869514145 /nfs/dbraw/zinc/51/41/45/869514145.db2.gz RYHHFLUPVXXAQH-UHFFFAOYSA-N 2 1 323.404 1.147 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C1CC1 ZINC001317029641 870136751 /nfs/dbraw/zinc/13/67/51/870136751.db2.gz JDTHDDJSQRNCMR-ROUUACIJSA-N 2 1 313.445 1.797 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001166667809 870141981 /nfs/dbraw/zinc/14/19/81/870141981.db2.gz IVMPWIRLIXJYLP-HNNXBMFYSA-N 2 1 314.433 1.496 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001317057209 870179763 /nfs/dbraw/zinc/17/97/63/870179763.db2.gz DVOQZAGYFBVIBY-BBRMVZONSA-N 2 1 315.421 1.004 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001317057209 870179770 /nfs/dbraw/zinc/17/97/70/870179770.db2.gz DVOQZAGYFBVIBY-BBRMVZONSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166869514 870333407 /nfs/dbraw/zinc/33/34/07/870333407.db2.gz BDFZVHILHDTHMB-OAHLLOKOSA-N 2 1 314.433 1.263 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317433200 870826314 /nfs/dbraw/zinc/82/63/14/870826314.db2.gz DQSOJQDEULTGAU-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317433200 870826315 /nfs/dbraw/zinc/82/63/15/870826315.db2.gz DQSOJQDEULTGAU-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317433200 870826328 /nfs/dbraw/zinc/82/63/28/870826328.db2.gz DQSOJQDEULTGAU-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317532921 871012763 /nfs/dbraw/zinc/01/27/63/871012763.db2.gz REWJDLZXLLGZGR-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317532921 871012744 /nfs/dbraw/zinc/01/27/44/871012744.db2.gz REWJDLZXLLGZGR-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317535957 871019929 /nfs/dbraw/zinc/01/99/29/871019929.db2.gz LGHDEWIULZKAGN-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317545950 871040789 /nfs/dbraw/zinc/04/07/89/871040789.db2.gz MNTICQFIMPGILE-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317545950 871040772 /nfs/dbraw/zinc/04/07/72/871040772.db2.gz MNTICQFIMPGILE-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001205479678 871574435 /nfs/dbraw/zinc/57/44/35/871574435.db2.gz SFPGQCQDDHNSNX-FAOGRTBUSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C/C=C\Cl)CC1 ZINC001205479678 871574455 /nfs/dbraw/zinc/57/44/55/871574455.db2.gz SFPGQCQDDHNSNX-FAOGRTBUSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317862954 871603041 /nfs/dbraw/zinc/60/30/41/871603041.db2.gz KFSCWRRIQXQDHD-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001341570314 871719447 /nfs/dbraw/zinc/71/94/47/871719447.db2.gz WOCWRDICKRZZDP-GOSISDBHSA-N 2 1 313.445 1.799 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001341717706 871789495 /nfs/dbraw/zinc/78/94/95/871789495.db2.gz VGQOLAUZQXHLBC-XJKSGUPXSA-N 2 1 305.447 1.470 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001319111275 872444731 /nfs/dbraw/zinc/44/47/31/872444731.db2.gz FJPZWPFTIZPGBS-CQSZACIVSA-N 2 1 318.421 1.651 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001208330838 874019704 /nfs/dbraw/zinc/01/97/04/874019704.db2.gz GTDSUQSATNUDPN-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331022 874021332 /nfs/dbraw/zinc/02/13/32/874021332.db2.gz JJIHVUJUCWODQI-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCOC)C1 ZINC001208355468 874053090 /nfs/dbraw/zinc/05/30/90/874053090.db2.gz CJMJKCRHBLQNSB-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCOC)C1 ZINC001208355468 874053108 /nfs/dbraw/zinc/05/31/08/874053108.db2.gz CJMJKCRHBLQNSB-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CCCC3)[C@H](C)C2)CC1 ZINC001347813038 874280487 /nfs/dbraw/zinc/28/04/87/874280487.db2.gz DSQWCLXHAQTBEU-MRXNPFEDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC001276634986 874828858 /nfs/dbraw/zinc/82/88/58/874828858.db2.gz YXDKOYUBGVRFPZ-QGZVFWFLSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219470 875852786 /nfs/dbraw/zinc/85/27/86/875852786.db2.gz UMSDVUSZXNYKKP-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219470 875852794 /nfs/dbraw/zinc/85/27/94/875852794.db2.gz UMSDVUSZXNYKKP-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219470 875852801 /nfs/dbraw/zinc/85/28/01/875852801.db2.gz UMSDVUSZXNYKKP-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219470 875852806 /nfs/dbraw/zinc/85/28/06/875852806.db2.gz UMSDVUSZXNYKKP-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@H](OC)C1 ZINC001213719287 876030607 /nfs/dbraw/zinc/03/06/07/876030607.db2.gz VPFMAZPRPIFQIH-NUEKZKHPSA-N 2 1 320.437 1.133 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662107 876431488 /nfs/dbraw/zinc/43/14/88/876431488.db2.gz UOCGBUOVEYTZBN-OWCLPIDISA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001276727563 876786015 /nfs/dbraw/zinc/78/60/15/876786015.db2.gz PWYAEAXEGGFTRQ-NNZMDNLPSA-N 2 1 319.493 1.979 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC001218204687 877416681 /nfs/dbraw/zinc/41/66/81/877416681.db2.gz WQQFUALKQWHTRB-RHSMWYFYSA-N 3 1 300.406 1.100 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219804521 878520861 /nfs/dbraw/zinc/52/08/61/878520861.db2.gz YROOFOCANUWXAE-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001220205444 878815813 /nfs/dbraw/zinc/81/58/13/878815813.db2.gz AIIZDIWGUDNWGN-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001220205444 878815827 /nfs/dbraw/zinc/81/58/27/878815827.db2.gz AIIZDIWGUDNWGN-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001220205444 878815835 /nfs/dbraw/zinc/81/58/35/878815835.db2.gz AIIZDIWGUDNWGN-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001277762384 886787692 /nfs/dbraw/zinc/78/76/92/886787692.db2.gz BLLDVWBBNBQOGT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CCOCC[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277858386 887988721 /nfs/dbraw/zinc/98/87/21/887988721.db2.gz OUTFEEFRITUHOK-UHFFFAOYSA-N 2 1 316.449 1.831 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001278286065 890393698 /nfs/dbraw/zinc/39/36/98/890393698.db2.gz UCOYADRTDUTUHK-DOTOQJQBSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246306260 892528650 /nfs/dbraw/zinc/52/86/50/892528650.db2.gz UTAQDVUZMCMQEW-MJBXVCDLSA-N 2 1 313.398 1.248 20 30 DDEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278667650 895175727 /nfs/dbraw/zinc/17/57/27/895175727.db2.gz HKBFOXYEIYJQAT-GOSISDBHSA-N 2 1 317.477 1.856 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001367715741 897554466 /nfs/dbraw/zinc/55/44/66/897554466.db2.gz RTLQMBQGEVHBRB-CYBMUJFWSA-N 2 1 320.412 1.632 20 30 DDEDMP C#CCCN1CCC[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)C1=O ZINC001258004243 898005813 /nfs/dbraw/zinc/00/58/13/898005813.db2.gz FSCVULSUOLVJNC-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001264174191 900992436 /nfs/dbraw/zinc/99/24/36/900992436.db2.gz VXMPOZWQLIOFKM-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001265188988 901682378 /nfs/dbraw/zinc/68/23/78/901682378.db2.gz GEVARFINCBDEOU-DOTOQJQBSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001265188988 901682387 /nfs/dbraw/zinc/68/23/87/901682387.db2.gz GEVARFINCBDEOU-DOTOQJQBSA-N 2 1 323.481 1.595 20 30 DDEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001265648206 902249553 /nfs/dbraw/zinc/24/95/53/902249553.db2.gz ZXKCKJPUGZBCAL-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001265648206 902249563 /nfs/dbraw/zinc/24/95/63/902249563.db2.gz ZXKCKJPUGZBCAL-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001265648206 902249572 /nfs/dbraw/zinc/24/95/72/902249572.db2.gz ZXKCKJPUGZBCAL-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001265648206 902249587 /nfs/dbraw/zinc/24/95/87/902249587.db2.gz ZXKCKJPUGZBCAL-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001265863930 902507506 /nfs/dbraw/zinc/50/75/06/902507506.db2.gz NWQGTDJVHKKMRE-HNNXBMFYSA-N 2 1 310.401 1.338 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001266102658 902945740 /nfs/dbraw/zinc/94/57/40/902945740.db2.gz LZLDWQIAZVRWOB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266102658 902945757 /nfs/dbraw/zinc/94/57/57/902945757.db2.gz LZLDWQIAZVRWOB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266102658 902945775 /nfs/dbraw/zinc/94/57/75/902945775.db2.gz LZLDWQIAZVRWOB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001279416613 903254681 /nfs/dbraw/zinc/25/46/81/903254681.db2.gz YROPCXXSLNVYCX-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001280907204 904176216 /nfs/dbraw/zinc/17/62/16/904176216.db2.gz OCWAIPILYHGMRM-HOTGVXAUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001280961854 904248903 /nfs/dbraw/zinc/24/89/03/904248903.db2.gz LGZPOTDITWTWGO-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001280961854 904248916 /nfs/dbraw/zinc/24/89/16/904248916.db2.gz LGZPOTDITWTWGO-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001281782774 905215569 /nfs/dbraw/zinc/21/55/69/905215569.db2.gz SGSJWWSCNXIUFD-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001281782774 905215583 /nfs/dbraw/zinc/21/55/83/905215583.db2.gz SGSJWWSCNXIUFD-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001281782774 905215598 /nfs/dbraw/zinc/21/55/98/905215598.db2.gz SGSJWWSCNXIUFD-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001284553477 909176245 /nfs/dbraw/zinc/17/62/45/909176245.db2.gz MXEZXIVPIZMSBH-DLBZAZTESA-N 2 1 307.482 1.909 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c(F)c1 ZINC001285003632 909922681 /nfs/dbraw/zinc/92/26/81/909922681.db2.gz GOYMSWDKXRKYEV-QGZVFWFLSA-N 2 1 317.408 1.649 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001394745664 910450210 /nfs/dbraw/zinc/45/02/10/910450210.db2.gz PKZPWBWCXSEAAH-KBPBESRZSA-N 2 1 317.861 1.022 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)s1 ZINC001378028163 923750865 /nfs/dbraw/zinc/75/08/65/923750865.db2.gz ZGSPCCWORPKSAA-WFASDCNBSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)s1 ZINC001378028163 923750880 /nfs/dbraw/zinc/75/08/80/923750880.db2.gz ZGSPCCWORPKSAA-WFASDCNBSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)s1 ZINC001378028163 923750894 /nfs/dbraw/zinc/75/08/94/923750894.db2.gz ZGSPCCWORPKSAA-WFASDCNBSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001378028163 923750907 /nfs/dbraw/zinc/75/09/07/923750907.db2.gz ZGSPCCWORPKSAA-WFASDCNBSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181687127 199338251 /nfs/dbraw/zinc/33/82/51/199338251.db2.gz BHPGSRRHRHWIOT-AWEZNQCLSA-N 2 1 300.406 1.373 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000060344333 352868076 /nfs/dbraw/zinc/86/80/76/352868076.db2.gz QOUSRMAQJKOKJN-CQSZACIVSA-N 2 1 304.438 1.722 20 30 DDEDMP CCOCCCNC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000303881107 222870211 /nfs/dbraw/zinc/87/02/11/222870211.db2.gz HKLCJTKJEVHTCJ-UHFFFAOYSA-N 2 1 316.409 1.407 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185731511 354282333 /nfs/dbraw/zinc/28/23/33/354282333.db2.gz RKAWGKAZPSFRHR-KBPBESRZSA-N 2 1 322.453 1.241 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731511 354282334 /nfs/dbraw/zinc/28/23/34/354282334.db2.gz RKAWGKAZPSFRHR-KBPBESRZSA-N 2 1 322.453 1.241 20 30 DDEDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436996 356213929 /nfs/dbraw/zinc/21/39/29/356213929.db2.gz HIKASUDWHGWQOQ-QXSJWSMHSA-N 2 1 308.470 1.880 20 30 DDEDMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598719695 357703133 /nfs/dbraw/zinc/70/31/33/357703133.db2.gz JXLYKNLCVLPIAH-INIZCTEOSA-N 2 1 310.486 1.294 20 30 DDEDMP Cc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1C#N ZINC000600708177 358289909 /nfs/dbraw/zinc/28/99/09/358289909.db2.gz DBUMRNRHMMKIQU-KRWDZBQOSA-N 2 1 310.405 1.754 20 30 DDEDMP C[N@@H+](CCCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600735509 358301794 /nfs/dbraw/zinc/30/17/94/358301794.db2.gz KCAZLJNWZPJNJG-MRXNPFEDSA-N 2 1 309.454 1.522 20 30 DDEDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(C#N)cc1C(F)(F)F ZINC000600739590 358303285 /nfs/dbraw/zinc/30/32/85/358303285.db2.gz DDVVIENVKYSGTH-UHFFFAOYSA-N 2 1 301.312 1.984 20 30 DDEDMP C=CCOCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000608117212 360126843 /nfs/dbraw/zinc/12/68/43/360126843.db2.gz WYVGECMGPMJPKJ-UHFFFAOYSA-N 2 1 318.421 1.755 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCSCC#N)CC1 ZINC000074990519 406919284 /nfs/dbraw/zinc/91/92/84/406919284.db2.gz JNMIXQVHPKIMQY-MRXNPFEDSA-N 2 1 310.511 1.735 20 30 DDEDMP C[NH+]=C(NCc1cnc(C)s1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158399352 408340246 /nfs/dbraw/zinc/34/02/46/408340246.db2.gz CSCANYRIYJPXJW-FZMZJTMJSA-N 2 1 309.483 1.845 20 30 DDEDMP CCCc1nc(C)c(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)o1 ZINC000291995540 408959354 /nfs/dbraw/zinc/95/93/54/408959354.db2.gz WXKYNKSFSRDGNL-CYBMUJFWSA-N 2 1 307.442 1.824 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304493600 409628884 /nfs/dbraw/zinc/62/88/84/409628884.db2.gz OVQZYIZVUKTOSI-HIFRSBDPSA-N 2 1 302.422 1.899 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304493604 409629358 /nfs/dbraw/zinc/62/93/58/409629358.db2.gz OVQZYIZVUKTOSI-ZFWWWQNUSA-N 2 1 302.422 1.899 20 30 DDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H]1CCC[N@H+]1C ZINC000262648380 222287914 /nfs/dbraw/zinc/28/79/14/222287914.db2.gz VRCGVSHLFQKHDM-CYBMUJFWSA-N 2 1 304.394 1.175 20 30 DDEDMP CN1CC[NH+]=C1NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262657126 222288004 /nfs/dbraw/zinc/28/80/04/222288004.db2.gz LXTDOJGAGOROQW-UHFFFAOYSA-N 2 1 308.470 1.691 20 30 DDEDMP CN1CC[NH+]=C1NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262657126 222288006 /nfs/dbraw/zinc/28/80/06/222288006.db2.gz LXTDOJGAGOROQW-UHFFFAOYSA-N 2 1 308.470 1.691 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000264098828 222316383 /nfs/dbraw/zinc/31/63/83/222316383.db2.gz MMNSRQWHGIWMRQ-UHFFFAOYSA-N 2 1 302.422 1.499 20 30 DDEDMP CC(C)[NH+](CC#CC[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361414012 418647599 /nfs/dbraw/zinc/64/75/99/418647599.db2.gz GWMNSTOVMOLBPG-HDICACEKSA-N 2 1 308.466 1.988 20 30 DDEDMP CC(C)[NH+](CC#CC[N@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361414012 418647601 /nfs/dbraw/zinc/64/76/01/418647601.db2.gz GWMNSTOVMOLBPG-HDICACEKSA-N 2 1 308.466 1.988 20 30 DDEDMP CC(C)[NH+](CC#CC[N@@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361414012 418647603 /nfs/dbraw/zinc/64/76/03/418647603.db2.gz GWMNSTOVMOLBPG-HDICACEKSA-N 2 1 308.466 1.988 20 30 DDEDMP C#CCOc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000267410599 222383806 /nfs/dbraw/zinc/38/38/06/222383806.db2.gz IFHLQTULYYUYMK-INIZCTEOSA-N 2 1 314.433 1.587 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000378525731 418724784 /nfs/dbraw/zinc/72/47/84/418724784.db2.gz HNLWVAHJRCJEJR-ZBFHGGJFSA-N 2 1 306.454 1.372 20 30 DDEDMP C[N@@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C[C@H]1c1ccccc1 ZINC000559855208 421227965 /nfs/dbraw/zinc/22/79/65/421227965.db2.gz MPSVKMMXMFADJF-CVEARBPZSA-N 2 1 310.405 1.575 20 30 DDEDMP C[N@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C[C@H]1c1ccccc1 ZINC000559855208 421227969 /nfs/dbraw/zinc/22/79/69/421227969.db2.gz MPSVKMMXMFADJF-CVEARBPZSA-N 2 1 310.405 1.575 20 30 DDEDMP CC#CCN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000655116416 424224263 /nfs/dbraw/zinc/22/42/63/424224263.db2.gz WFSJRANCKIIKBK-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000264079340 274025260 /nfs/dbraw/zinc/02/52/60/274025260.db2.gz IEQVRTUCOZOWDY-MRXNPFEDSA-N 2 1 320.437 1.383 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000553445958 341429308 /nfs/dbraw/zinc/42/93/08/341429308.db2.gz JMBNRBZVMBFVNB-UHFFFAOYSA-N 2 1 320.437 1.137 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000491818398 526809773 /nfs/dbraw/zinc/80/97/73/526809773.db2.gz YHXWUOIPBSQQIT-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000491818398 526809780 /nfs/dbraw/zinc/80/97/80/526809780.db2.gz YHXWUOIPBSQQIT-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000491818398 526809787 /nfs/dbraw/zinc/80/97/87/526809787.db2.gz YHXWUOIPBSQQIT-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CCNC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000491120129 526977068 /nfs/dbraw/zinc/97/70/68/526977068.db2.gz LKAKMOJSLHWVLD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000491120129 526977072 /nfs/dbraw/zinc/97/70/72/526977072.db2.gz LKAKMOJSLHWVLD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000491120129 526977075 /nfs/dbraw/zinc/97/70/75/526977075.db2.gz LKAKMOJSLHWVLD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853622 528256046 /nfs/dbraw/zinc/25/60/46/528256046.db2.gz VQLMXFVAFYRAHN-HUUCEWRRSA-N 2 1 319.453 1.681 20 30 DDEDMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329853622 528256050 /nfs/dbraw/zinc/25/60/50/528256050.db2.gz VQLMXFVAFYRAHN-HUUCEWRRSA-N 2 1 319.453 1.681 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980238336 696715898 /nfs/dbraw/zinc/71/58/98/696715898.db2.gz KADDSMIKIJZYDX-ULQDDVLXSA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980238336 696715900 /nfs/dbraw/zinc/71/59/00/696715900.db2.gz KADDSMIKIJZYDX-ULQDDVLXSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980244176 696717142 /nfs/dbraw/zinc/71/71/42/696717142.db2.gz XWQJFWNILDIXPS-ARFHVFGLSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980244176 696717144 /nfs/dbraw/zinc/71/71/44/696717144.db2.gz XWQJFWNILDIXPS-ARFHVFGLSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972700066 695319061 /nfs/dbraw/zinc/31/90/61/695319061.db2.gz CLPXOYFJKKJGHH-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972700066 695319063 /nfs/dbraw/zinc/31/90/63/695319063.db2.gz CLPXOYFJKKJGHH-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972700066 695319067 /nfs/dbraw/zinc/31/90/67/695319067.db2.gz CLPXOYFJKKJGHH-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975040083 695782614 /nfs/dbraw/zinc/78/26/14/695782614.db2.gz PBWUNFVJHVECSA-ZBFHGGJFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975040083 695782616 /nfs/dbraw/zinc/78/26/16/695782616.db2.gz PBWUNFVJHVECSA-ZBFHGGJFSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975109932 695796357 /nfs/dbraw/zinc/79/63/57/695796357.db2.gz NBQOUJLZXWRBOO-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975109932 695796359 /nfs/dbraw/zinc/79/63/59/695796359.db2.gz NBQOUJLZXWRBOO-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975109932 695796361 /nfs/dbraw/zinc/79/63/61/695796361.db2.gz NBQOUJLZXWRBOO-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975109932 695796363 /nfs/dbraw/zinc/79/63/63/695796363.db2.gz NBQOUJLZXWRBOO-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP Cc1ccc([C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+]2CCCC2)o1 ZINC000066246478 696350664 /nfs/dbraw/zinc/35/06/64/696350664.db2.gz AQZWVBBTZVHPAA-LSDHHAIUSA-N 2 1 320.437 1.808 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979079289 696492913 /nfs/dbraw/zinc/49/29/13/696492913.db2.gz OZWJNYLWMAIWLP-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979077985 696492832 /nfs/dbraw/zinc/49/28/32/696492832.db2.gz NJVWVYQVYNSTMS-NNZMDNLPSA-N 2 1 311.429 1.289 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979079289 696492914 /nfs/dbraw/zinc/49/29/14/696492914.db2.gz OZWJNYLWMAIWLP-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979079289 696492911 /nfs/dbraw/zinc/49/29/11/696492911.db2.gz OZWJNYLWMAIWLP-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000104156932 696618570 /nfs/dbraw/zinc/61/85/70/696618570.db2.gz HBIFMCSIFVVMLE-UHFFFAOYSA-N 2 1 302.422 1.499 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980158350 696696261 /nfs/dbraw/zinc/69/62/61/696696261.db2.gz CBLJMCDRPSZTCL-YESZJQIVSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980158350 696696263 /nfs/dbraw/zinc/69/62/63/696696263.db2.gz CBLJMCDRPSZTCL-YESZJQIVSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980158350 696696265 /nfs/dbraw/zinc/69/62/65/696696265.db2.gz CBLJMCDRPSZTCL-YESZJQIVSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980167887 696698221 /nfs/dbraw/zinc/69/82/21/696698221.db2.gz GEARITBZFZOHKV-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486099 696784702 /nfs/dbraw/zinc/78/47/02/696784702.db2.gz QHEBHPCSINHMBW-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000982011675 697001883 /nfs/dbraw/zinc/00/18/83/697001883.db2.gz IFVCKYUXNLKBQP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011675 697001886 /nfs/dbraw/zinc/00/18/86/697001886.db2.gz IFVCKYUXNLKBQP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011675 697001889 /nfs/dbraw/zinc/00/18/89/697001889.db2.gz IFVCKYUXNLKBQP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172610109 697369470 /nfs/dbraw/zinc/36/94/70/697369470.db2.gz BGEGYXSVFGXXFR-MRXNPFEDSA-N 2 1 324.432 1.966 20 30 DDEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000172610109 697369474 /nfs/dbraw/zinc/36/94/74/697369474.db2.gz BGEGYXSVFGXXFR-MRXNPFEDSA-N 2 1 324.432 1.966 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000985468986 697516102 /nfs/dbraw/zinc/51/61/02/697516102.db2.gz CNAAFXJTBJRCKG-OAHLLOKOSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000985468986 697516103 /nfs/dbraw/zinc/51/61/03/697516103.db2.gz CNAAFXJTBJRCKG-OAHLLOKOSA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CCF)CC2)CC1 ZINC000985803589 697576816 /nfs/dbraw/zinc/57/68/16/697576816.db2.gz GUTVCVABYPFXTC-UHFFFAOYSA-N 2 1 309.429 1.224 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C1CCCCC1)[NH+](C)C ZINC000303902422 698610471 /nfs/dbraw/zinc/61/04/71/698610471.db2.gz TZJSGVRLMLVZMP-IAGOWNOFSA-N 3 1 323.529 1.886 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C1CCCCC1)N(C)C ZINC000303902422 698610472 /nfs/dbraw/zinc/61/04/72/698610472.db2.gz TZJSGVRLMLVZMP-IAGOWNOFSA-N 2 1 323.529 1.886 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C1CCCCC1)N(C)C ZINC000303902422 698610474 /nfs/dbraw/zinc/61/04/74/698610474.db2.gz TZJSGVRLMLVZMP-IAGOWNOFSA-N 2 1 323.529 1.886 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000756091610 700602813 /nfs/dbraw/zinc/60/28/13/700602813.db2.gz YDNZGSQNEKRBNG-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000756091610 700602815 /nfs/dbraw/zinc/60/28/15/700602815.db2.gz YDNZGSQNEKRBNG-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000764521312 700975090 /nfs/dbraw/zinc/97/50/90/700975090.db2.gz FDNKNIIKXXAIBD-GOEBONIOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868221196 702007795 /nfs/dbraw/zinc/00/77/95/702007795.db2.gz CFWRYSIWWKRPTL-NVXWUHKLSA-N 2 1 320.481 1.763 20 30 DDEDMP C#CCCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000847531425 703432693 /nfs/dbraw/zinc/43/26/93/703432693.db2.gz ASRPXTCIAIWTSU-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000876782446 705875215 /nfs/dbraw/zinc/87/52/15/705875215.db2.gz RELMYNHLJRIMGC-LBPRGKRZSA-N 3 1 323.828 1.242 20 30 DDEDMP C#C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000827554253 706025688 /nfs/dbraw/zinc/02/56/88/706025688.db2.gz BVQQEQANKCWEKA-QZTJIDSGSA-N 2 1 306.450 1.648 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000834488214 707067957 /nfs/dbraw/zinc/06/79/57/707067957.db2.gz ALQGERDTNIDTFX-IKGGRYGDSA-N 2 1 312.417 1.269 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884188157 708179045 /nfs/dbraw/zinc/17/90/45/708179045.db2.gz AOLYUOWKNFBPEZ-UJEKJILKSA-N 2 1 304.438 1.116 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000884201807 708186476 /nfs/dbraw/zinc/18/64/76/708186476.db2.gz HPZJYYNXQSJHKH-ULQDDVLXSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000884201807 708186480 /nfs/dbraw/zinc/18/64/80/708186480.db2.gz HPZJYYNXQSJHKH-ULQDDVLXSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000884201807 708186482 /nfs/dbraw/zinc/18/64/82/708186482.db2.gz HPZJYYNXQSJHKH-ULQDDVLXSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000884201807 708186487 /nfs/dbraw/zinc/18/64/87/708186487.db2.gz HPZJYYNXQSJHKH-ULQDDVLXSA-N 2 1 320.481 1.504 20 30 DDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)C1 ZINC000886068443 708691943 /nfs/dbraw/zinc/69/19/43/708691943.db2.gz YKROPTIIELKGMU-IAGOWNOFSA-N 2 1 320.481 1.143 20 30 DDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)C1 ZINC000886068443 708691945 /nfs/dbraw/zinc/69/19/45/708691945.db2.gz YKROPTIIELKGMU-IAGOWNOFSA-N 2 1 320.481 1.143 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](CC#C)C3)COC2)C1 ZINC000886362659 708749573 /nfs/dbraw/zinc/74/95/73/708749573.db2.gz INTHYFLYFVZPFO-QZTJIDSGSA-N 2 1 300.446 1.693 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000886664286 708809588 /nfs/dbraw/zinc/80/95/88/708809588.db2.gz IBGDXZZFYOODIL-ZWKOTPCHSA-N 2 1 305.466 1.317 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000928101496 713131093 /nfs/dbraw/zinc/13/10/93/713131093.db2.gz YSPOXMVQCCCHNL-HOTGVXAUSA-N 2 1 321.490 1.028 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000892851087 710512557 /nfs/dbraw/zinc/51/25/57/710512557.db2.gz BKDUASUHANIJOB-MRXNPFEDSA-N 2 1 308.470 1.763 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903819733 711291318 /nfs/dbraw/zinc/29/13/18/711291318.db2.gz NKANWVAUYKKJIZ-QGZVFWFLSA-N 2 1 315.417 1.436 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903819733 711291322 /nfs/dbraw/zinc/29/13/22/711291322.db2.gz NKANWVAUYKKJIZ-QGZVFWFLSA-N 2 1 315.417 1.436 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000928649422 713250309 /nfs/dbraw/zinc/25/03/09/713250309.db2.gz KQTPGLQGMBRIMG-AWEZNQCLSA-N 2 1 302.422 1.610 20 30 DDEDMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000931480483 714107875 /nfs/dbraw/zinc/10/78/75/714107875.db2.gz DHRQPEGEGPYPRH-UHFFFAOYSA-N 2 1 318.377 1.355 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960704140 716662567 /nfs/dbraw/zinc/66/25/67/716662567.db2.gz BOGXRDHTWAMFMN-FVQHAEBGSA-N 2 1 308.385 1.326 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961186668 716854065 /nfs/dbraw/zinc/85/40/65/716854065.db2.gz RHGSYKPXLKKWBS-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026462 717078876 /nfs/dbraw/zinc/07/88/76/717078876.db2.gz KMAONTWSRPJBKP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026462 717078878 /nfs/dbraw/zinc/07/88/78/717078878.db2.gz KMAONTWSRPJBKP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026462 717078880 /nfs/dbraw/zinc/07/88/80/717078880.db2.gz KMAONTWSRPJBKP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941138704 717113940 /nfs/dbraw/zinc/11/39/40/717113940.db2.gz LQHZVKSMXHPZMQ-KRWDZBQOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCF)CC2(C)C)CC1 ZINC000941237000 717136300 /nfs/dbraw/zinc/13/63/00/717136300.db2.gz FLCBPLWUEPRFPV-MRXNPFEDSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000965348907 717626303 /nfs/dbraw/zinc/62/63/03/717626303.db2.gz YLLCMTMXZSVHRJ-APUKJBRXSA-N 2 1 317.477 1.900 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942519070 717715799 /nfs/dbraw/zinc/71/57/99/717715799.db2.gz YVZFSVUWWKAGAE-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942519070 717715803 /nfs/dbraw/zinc/71/58/03/717715803.db2.gz YVZFSVUWWKAGAE-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963391957 717772839 /nfs/dbraw/zinc/77/28/39/717772839.db2.gz WDGLSJHLNMVOKE-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963412546 717780365 /nfs/dbraw/zinc/78/03/65/717780365.db2.gz BWMAIGVJDCWFSZ-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C[C@H]2C)CC1 ZINC000945183750 718416822 /nfs/dbraw/zinc/41/68/22/718416822.db2.gz SHWTUGSWOUFPSU-SJLPKXTDSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779122 718906129 /nfs/dbraw/zinc/90/61/29/718906129.db2.gz GWSIEJAELCEUJK-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779122 718906133 /nfs/dbraw/zinc/90/61/33/718906133.db2.gz GWSIEJAELCEUJK-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779122 718906135 /nfs/dbraw/zinc/90/61/35/718906135.db2.gz GWSIEJAELCEUJK-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439922 719499579 /nfs/dbraw/zinc/49/95/79/719499579.db2.gz WVZOPTNBNGABQS-HOTGVXAUSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439922 719499581 /nfs/dbraw/zinc/49/95/81/719499581.db2.gz WVZOPTNBNGABQS-HOTGVXAUSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)CC[C@@H]2C)CC1 ZINC000968680535 719733236 /nfs/dbraw/zinc/73/32/36/719733236.db2.gz AZZGUJUKJOSDSJ-FUHWJXTLSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968888280 719845432 /nfs/dbraw/zinc/84/54/32/719845432.db2.gz SIIIDGIOTBZAFN-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888280 719845439 /nfs/dbraw/zinc/84/54/39/719845439.db2.gz SIIIDGIOTBZAFN-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888280 719845442 /nfs/dbraw/zinc/84/54/42/719845442.db2.gz SIIIDGIOTBZAFN-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968937031 719886873 /nfs/dbraw/zinc/88/68/73/719886873.db2.gz YFLRZAASZKVMTN-KRWDZBQOSA-N 2 1 317.477 1.999 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025601844 736779786 /nfs/dbraw/zinc/77/97/86/736779786.db2.gz VOAVTBQDQYTPFS-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC3)C2)CC1 ZINC001027693514 738557313 /nfs/dbraw/zinc/55/73/13/738557313.db2.gz DGPWOVQCWDYYAI-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCCC[N@@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209265663 732658329 /nfs/dbraw/zinc/65/83/29/732658329.db2.gz COGQTALSFSFOOA-UHFFFAOYSA-N 2 1 314.433 1.458 20 30 DDEDMP C#CCCC[N@H+]1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1 ZINC001209265663 732658331 /nfs/dbraw/zinc/65/83/31/732658331.db2.gz COGQTALSFSFOOA-UHFFFAOYSA-N 2 1 314.433 1.458 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001098540489 733206548 /nfs/dbraw/zinc/20/65/48/733206548.db2.gz ORZBZPKVINJLQI-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540489 733206549 /nfs/dbraw/zinc/20/65/49/733206549.db2.gz ORZBZPKVINJLQI-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540489 733206550 /nfs/dbraw/zinc/20/65/50/733206550.db2.gz ORZBZPKVINJLQI-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001023423698 735223994 /nfs/dbraw/zinc/22/39/94/735223994.db2.gz DEQPKAZWBDJAKA-HOTGVXAUSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCF)C1 ZINC001023423698 735223998 /nfs/dbraw/zinc/22/39/98/735223998.db2.gz DEQPKAZWBDJAKA-HOTGVXAUSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCF)C1 ZINC001023423698 735224001 /nfs/dbraw/zinc/22/40/01/735224001.db2.gz DEQPKAZWBDJAKA-HOTGVXAUSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCF)C1 ZINC001023423698 735224005 /nfs/dbraw/zinc/22/40/05/735224005.db2.gz DEQPKAZWBDJAKA-HOTGVXAUSA-N 2 1 309.429 1.272 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676460 736509543 /nfs/dbraw/zinc/50/95/43/736509543.db2.gz KVVVKCDWSWYUIO-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450693 736676972 /nfs/dbraw/zinc/67/69/72/736676972.db2.gz LMQVYFISHLSKGR-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001026547689 737650902 /nfs/dbraw/zinc/65/09/02/737650902.db2.gz WIOYUKIEIXITHP-KLAILNCOSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042357857 737935472 /nfs/dbraw/zinc/93/54/72/737935472.db2.gz MEXGSIWLSLDTLF-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504993 738356693 /nfs/dbraw/zinc/35/66/93/738356693.db2.gz IZFRCLZYPVZQOX-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001032584394 751404102 /nfs/dbraw/zinc/40/41/02/751404102.db2.gz XDTKKKRCZNIKCQ-OKZBNKHCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203071 739154710 /nfs/dbraw/zinc/15/47/10/739154710.db2.gz ORLKFZKFSOQIPH-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028259202 739246132 /nfs/dbraw/zinc/24/61/32/739246132.db2.gz KVGCHSKDXKHCKH-HNNXBMFYSA-N 2 1 323.400 1.485 20 30 DDEDMP CC#CCN1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028259202 739246136 /nfs/dbraw/zinc/24/61/36/739246136.db2.gz KVGCHSKDXKHCKH-HNNXBMFYSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001028603900 739781322 /nfs/dbraw/zinc/78/13/22/739781322.db2.gz LGFMOPTUMNTBNF-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028603900 739781327 /nfs/dbraw/zinc/78/13/27/739781327.db2.gz LGFMOPTUMNTBNF-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001028603900 739781330 /nfs/dbraw/zinc/78/13/30/739781330.db2.gz LGFMOPTUMNTBNF-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001028603900 739781336 /nfs/dbraw/zinc/78/13/36/739781336.db2.gz LGFMOPTUMNTBNF-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028754656 739996234 /nfs/dbraw/zinc/99/62/34/739996234.db2.gz JBNPJFGYPOEJNB-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028754656 739996238 /nfs/dbraw/zinc/99/62/38/739996238.db2.gz JBNPJFGYPOEJNB-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028754656 739996239 /nfs/dbraw/zinc/99/62/39/739996239.db2.gz JBNPJFGYPOEJNB-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075784744 740470423 /nfs/dbraw/zinc/47/04/23/740470423.db2.gz GOFWZGPFWHKOMK-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784744 740470424 /nfs/dbraw/zinc/47/04/24/740470424.db2.gz GOFWZGPFWHKOMK-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784744 740470427 /nfs/dbraw/zinc/47/04/27/740470427.db2.gz GOFWZGPFWHKOMK-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087703027 740714525 /nfs/dbraw/zinc/71/45/25/740714525.db2.gz DWQGAVPXEZNYSK-HYVNUMGLSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087703027 740714527 /nfs/dbraw/zinc/71/45/27/740714527.db2.gz DWQGAVPXEZNYSK-HYVNUMGLSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998193386 751582425 /nfs/dbraw/zinc/58/24/25/751582425.db2.gz ZMIGJVKDJSVBPC-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998193386 751582429 /nfs/dbraw/zinc/58/24/29/751582429.db2.gz ZMIGJVKDJSVBPC-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998193386 751582433 /nfs/dbraw/zinc/58/24/33/751582433.db2.gz ZMIGJVKDJSVBPC-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081719 741008240 /nfs/dbraw/zinc/00/82/40/741008240.db2.gz BCYCLCZHJFUDSU-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081719 741008244 /nfs/dbraw/zinc/00/82/44/741008244.db2.gz BCYCLCZHJFUDSU-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081719 741008248 /nfs/dbraw/zinc/00/82/48/741008248.db2.gz BCYCLCZHJFUDSU-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+](C)CC)CC2)CC1 ZINC001030014587 741696775 /nfs/dbraw/zinc/69/67/75/741696775.db2.gz BMGZSGCDVSIPDJ-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001076145993 742566173 /nfs/dbraw/zinc/56/61/73/742566173.db2.gz DFWNSNSHSDDKLR-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076323829 742666697 /nfs/dbraw/zinc/66/66/97/742666697.db2.gz HGUNNVWSNZEKLE-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC=C)C2)CC1 ZINC001035724383 751813936 /nfs/dbraw/zinc/81/39/36/751813936.db2.gz DJFSLWHDXLVYFN-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC=C)C2)CC1 ZINC001035724383 751813945 /nfs/dbraw/zinc/81/39/45/751813945.db2.gz DJFSLWHDXLVYFN-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182125109 743485442 /nfs/dbraw/zinc/48/54/42/743485442.db2.gz OGMABCIZRJTZMA-RHSMWYFYSA-N 2 1 302.422 1.289 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002876370 743541940 /nfs/dbraw/zinc/54/19/40/743541940.db2.gz YDQXPFDIBVCQFL-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001182629299 743676013 /nfs/dbraw/zinc/67/60/13/743676013.db2.gz BWDBTOBXJAVFHY-JFIYKMOQSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184691956 744081270 /nfs/dbraw/zinc/08/12/70/744081270.db2.gz BRTSFTDCAKEMMQ-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185747 744670729 /nfs/dbraw/zinc/67/07/29/744670729.db2.gz CNNHLDQXSNPXNM-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185747 744670731 /nfs/dbraw/zinc/67/07/31/744670731.db2.gz CNNHLDQXSNPXNM-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185747 744670733 /nfs/dbraw/zinc/67/07/33/744670733.db2.gz CNNHLDQXSNPXNM-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992276502 744741988 /nfs/dbraw/zinc/74/19/88/744741988.db2.gz AKJSFMSQSINHSA-AEFFLSMTSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(Cl)CN1CC[C@]2(NC(=O)CN3CCCC3)CCC[C@H]12 ZINC000992488237 744914076 /nfs/dbraw/zinc/91/40/76/744914076.db2.gz NEOQLASQRBJWAP-GOEBONIOSA-N 2 1 311.857 1.948 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189820032 744993141 /nfs/dbraw/zinc/99/31/41/744993141.db2.gz LJHIUCWLRZJLDZ-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221852 745143112 /nfs/dbraw/zinc/14/31/12/745143112.db2.gz QOZFBQQLDLEXRF-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238834 745157097 /nfs/dbraw/zinc/15/70/97/745157097.db2.gz QVFKISCKGQNVEX-BZUAXINKSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238834 745157099 /nfs/dbraw/zinc/15/70/99/745157099.db2.gz QVFKISCKGQNVEX-BZUAXINKSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238834 745157103 /nfs/dbraw/zinc/15/71/03/745157103.db2.gz QVFKISCKGQNVEX-BZUAXINKSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191946767 745653302 /nfs/dbraw/zinc/65/33/02/745653302.db2.gz FDDYIYOUVFRBDW-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191946767 745653304 /nfs/dbraw/zinc/65/33/04/745653304.db2.gz FDDYIYOUVFRBDW-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946767 745653306 /nfs/dbraw/zinc/65/33/06/745653306.db2.gz FDDYIYOUVFRBDW-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946767 745653308 /nfs/dbraw/zinc/65/33/08/745653308.db2.gz FDDYIYOUVFRBDW-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192434334 745782037 /nfs/dbraw/zinc/78/20/37/745782037.db2.gz CHRNQUGNAWSRRC-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192918016 745928349 /nfs/dbraw/zinc/92/83/49/745928349.db2.gz VHBHSEVXLNPLJV-SJORKVTESA-N 2 1 307.482 1.909 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993608435 746230365 /nfs/dbraw/zinc/23/03/65/746230365.db2.gz AMUJINTYATYDHR-PBHICJAKSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273781 746312990 /nfs/dbraw/zinc/31/29/90/746312990.db2.gz AFLPJTXZRCTBOS-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273781 746312994 /nfs/dbraw/zinc/31/29/94/746312994.db2.gz AFLPJTXZRCTBOS-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194274777 746314746 /nfs/dbraw/zinc/31/47/46/746314746.db2.gz LJQXNPNDQMIJSX-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001194321438 746336612 /nfs/dbraw/zinc/33/66/12/746336612.db2.gz WSQULTVMOBICII-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538732 747178214 /nfs/dbraw/zinc/17/82/14/747178214.db2.gz DQZKKRNPPFIZPZ-INIZCTEOSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560499 747221543 /nfs/dbraw/zinc/22/15/43/747221543.db2.gz ZLSVSGFNRHPDBQ-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089560499 747221544 /nfs/dbraw/zinc/22/15/44/747221544.db2.gz ZLSVSGFNRHPDBQ-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007496987 752174402 /nfs/dbraw/zinc/17/44/02/752174402.db2.gz YCUXKFZQHRQANX-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007496987 752174404 /nfs/dbraw/zinc/17/44/04/752174404.db2.gz YCUXKFZQHRQANX-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001152440099 747459159 /nfs/dbraw/zinc/45/91/59/747459159.db2.gz YLQYNULOCGYSEC-UHFFFAOYSA-N 2 1 318.421 1.135 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001198661492 747571179 /nfs/dbraw/zinc/57/11/79/747571179.db2.gz GGPUZBSWXUAYAU-ARFHVFGLSA-N 2 1 311.470 1.070 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198661492 747571183 /nfs/dbraw/zinc/57/11/83/747571183.db2.gz GGPUZBSWXUAYAU-ARFHVFGLSA-N 2 1 311.470 1.070 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198661492 747571187 /nfs/dbraw/zinc/57/11/87/747571187.db2.gz GGPUZBSWXUAYAU-ARFHVFGLSA-N 2 1 311.470 1.070 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CCCO1 ZINC001200688384 748311814 /nfs/dbraw/zinc/31/18/14/748311814.db2.gz OMIHTOKMJOLCGY-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200703869 748324521 /nfs/dbraw/zinc/32/45/21/748324521.db2.gz DVXLZOIEKJOTSF-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCC)C1 ZINC001200721049 748328458 /nfs/dbraw/zinc/32/84/58/748328458.db2.gz FTPOPPYNXHZRLK-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCC)C1 ZINC001200721049 748328463 /nfs/dbraw/zinc/32/84/63/748328463.db2.gz FTPOPPYNXHZRLK-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721738 748328716 /nfs/dbraw/zinc/32/87/16/748328716.db2.gz ONZYCDXPZFNDCT-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031975535 748335456 /nfs/dbraw/zinc/33/54/56/748335456.db2.gz UWPXBRPQBJJXGZ-HNNXBMFYSA-N 2 1 302.422 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004548103 748539524 /nfs/dbraw/zinc/53/95/24/748539524.db2.gz PVQSQENWUDSDFN-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004548103 748539530 /nfs/dbraw/zinc/53/95/30/748539530.db2.gz PVQSQENWUDSDFN-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001201640569 748561576 /nfs/dbraw/zinc/56/15/76/748561576.db2.gz KISFPEBTCVUAGO-UHFFFAOYSA-N 2 1 314.433 1.366 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201809251 748606747 /nfs/dbraw/zinc/60/67/47/748606747.db2.gz LSSHUUBDTBCWLC-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC001114455874 749237609 /nfs/dbraw/zinc/23/76/09/749237609.db2.gz KGRYPTILMYFPDC-FVQHAEBGSA-N 2 1 317.477 1.875 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357580 749263165 /nfs/dbraw/zinc/26/31/65/749263165.db2.gz IGAWXBUTAACHIT-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357580 749263169 /nfs/dbraw/zinc/26/31/69/749263169.db2.gz IGAWXBUTAACHIT-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357580 749263175 /nfs/dbraw/zinc/26/31/75/749263175.db2.gz IGAWXBUTAACHIT-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357580 749263179 /nfs/dbraw/zinc/26/31/79/749263179.db2.gz IGAWXBUTAACHIT-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001033684786 749714642 /nfs/dbraw/zinc/71/46/42/749714642.db2.gz QOJJRYPALLPZCQ-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000996618943 749794235 /nfs/dbraw/zinc/79/42/35/749794235.db2.gz HXHJLZBWNOPWHE-INIZCTEOSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000996618943 749794239 /nfs/dbraw/zinc/79/42/39/749794239.db2.gz HXHJLZBWNOPWHE-INIZCTEOSA-N 2 1 315.421 1.004 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnc1)C2 ZINC001110877512 749800771 /nfs/dbraw/zinc/80/07/71/749800771.db2.gz VIHAHUROZKYWRO-OAGGEKHMSA-N 2 1 318.421 1.197 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001039387265 761987700 /nfs/dbraw/zinc/98/77/00/761987700.db2.gz ZWOKMDQOHPXPRL-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3nccn31)C2 ZINC001095533889 750020633 /nfs/dbraw/zinc/02/06/33/750020633.db2.gz RTAWFIBZNGDCOZ-CBBWQLFWSA-N 2 1 300.406 1.668 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095533889 750020650 /nfs/dbraw/zinc/02/06/50/750020650.db2.gz RTAWFIBZNGDCOZ-CBBWQLFWSA-N 2 1 300.406 1.668 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001128773553 750085000 /nfs/dbraw/zinc/08/50/00/750085000.db2.gz BEXZCXVJKKBYQC-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001107620475 750260417 /nfs/dbraw/zinc/26/04/17/750260417.db2.gz QAFKYTDXGZYWRE-NVXWUHKLSA-N 2 1 300.406 1.255 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000996912510 750430184 /nfs/dbraw/zinc/43/01/84/750430184.db2.gz XHIWUQBAKFAAJB-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034460900 750440050 /nfs/dbraw/zinc/44/00/50/750440050.db2.gz HTYKVJUEVYMBRG-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000997147770 750565069 /nfs/dbraw/zinc/56/50/69/750565069.db2.gz UKONWGYGOFWIQT-BPLDGKMQSA-N 2 1 302.422 1.916 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(C)C)CC1 ZINC000997149261 750582788 /nfs/dbraw/zinc/58/27/88/750582788.db2.gz LUZNJILNQMKHMF-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(C)C)CC1 ZINC000997149261 750582792 /nfs/dbraw/zinc/58/27/92/750582792.db2.gz LUZNJILNQMKHMF-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089904620 750669187 /nfs/dbraw/zinc/66/91/87/750669187.db2.gz DIVHZVXGIMABEL-HZMVEIRTSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089904620 750669188 /nfs/dbraw/zinc/66/91/88/750669188.db2.gz DIVHZVXGIMABEL-HZMVEIRTSA-N 2 1 314.433 1.546 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001005586855 750671401 /nfs/dbraw/zinc/67/14/01/750671401.db2.gz ZFDOAYGQGRFUFT-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089907894 750820314 /nfs/dbraw/zinc/82/03/14/750820314.db2.gz OWNDHLLTELMGIV-MLHJIOFPSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035257762 751335700 /nfs/dbraw/zinc/33/57/00/751335700.db2.gz CPMQLLILMACERZ-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035257762 751335707 /nfs/dbraw/zinc/33/57/07/751335707.db2.gz CPMQLLILMACERZ-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035257762 751335715 /nfs/dbraw/zinc/33/57/15/751335715.db2.gz CPMQLLILMACERZ-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000998901238 752350652 /nfs/dbraw/zinc/35/06/52/752350652.db2.gz LDLXSOMGTLRANL-PREGVCBESA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CCN1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008998070 753028711 /nfs/dbraw/zinc/02/87/11/753028711.db2.gz ZEOMFBQIRQXVFQ-MRXNPFEDSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001009586947 753261014 /nfs/dbraw/zinc/26/10/14/753261014.db2.gz DROTYCMBCIHTJZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001009586947 753261016 /nfs/dbraw/zinc/26/10/16/753261016.db2.gz DROTYCMBCIHTJZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009586947 753261021 /nfs/dbraw/zinc/26/10/21/753261021.db2.gz DROTYCMBCIHTJZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001009586947 753261023 /nfs/dbraw/zinc/26/10/23/753261023.db2.gz DROTYCMBCIHTJZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997377 753390726 /nfs/dbraw/zinc/39/07/26/753390726.db2.gz XTOALNWVNQMDTR-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997377 753390727 /nfs/dbraw/zinc/39/07/27/753390727.db2.gz XTOALNWVNQMDTR-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997377 753390729 /nfs/dbraw/zinc/39/07/29/753390729.db2.gz XTOALNWVNQMDTR-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001078666157 754282453 /nfs/dbraw/zinc/28/24/53/754282453.db2.gz PKFUCGZFNAOUMO-LSDHHAIUSA-N 2 1 318.421 1.553 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078680856 754297343 /nfs/dbraw/zinc/29/73/43/754297343.db2.gz UKRWCHYKVMMDCX-GJZGRUSLSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001001568146 754406350 /nfs/dbraw/zinc/40/63/50/754406350.db2.gz AAMGYUDWMLLZBF-UHFFFAOYSA-N 2 1 318.421 1.201 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116290 762393453 /nfs/dbraw/zinc/39/34/53/762393453.db2.gz VLFYKTFYQGOUKE-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040116290 762393458 /nfs/dbraw/zinc/39/34/58/762393458.db2.gz VLFYKTFYQGOUKE-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040116290 762393463 /nfs/dbraw/zinc/39/34/63/762393463.db2.gz VLFYKTFYQGOUKE-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342060 755858676 /nfs/dbraw/zinc/85/86/76/755858676.db2.gz GCNFNUAINPRQJC-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342060 755858681 /nfs/dbraw/zinc/85/86/81/755858681.db2.gz GCNFNUAINPRQJC-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040241683 762453362 /nfs/dbraw/zinc/45/33/62/762453362.db2.gz RALZWJQOIOMXBP-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241683 762453364 /nfs/dbraw/zinc/45/33/64/762453364.db2.gz RALZWJQOIOMXBP-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241683 762453367 /nfs/dbraw/zinc/45/33/67/762453367.db2.gz RALZWJQOIOMXBP-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242678 762455098 /nfs/dbraw/zinc/45/50/98/762455098.db2.gz ZIOLTHPMIURRNF-MJGOQNOKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250997 762460927 /nfs/dbraw/zinc/46/09/27/762460927.db2.gz VNIUPTZYTQKOFH-PKOBYXMFSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015973907 756689574 /nfs/dbraw/zinc/68/95/74/756689574.db2.gz UREHQSHXGFWYOB-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015973907 756689576 /nfs/dbraw/zinc/68/95/76/756689576.db2.gz UREHQSHXGFWYOB-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015973907 756689579 /nfs/dbraw/zinc/68/95/79/756689579.db2.gz UREHQSHXGFWYOB-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040381172 762516705 /nfs/dbraw/zinc/51/67/05/762516705.db2.gz VNIUPTZYTQKOFH-MJGOQNOKSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001082493 762534097 /nfs/dbraw/zinc/53/40/97/762534097.db2.gz UWPCAFPRMMHZMO-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001082493 762534103 /nfs/dbraw/zinc/53/41/03/762534103.db2.gz UWPCAFPRMMHZMO-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001082493 762534108 /nfs/dbraw/zinc/53/41/08/762534108.db2.gz UWPCAFPRMMHZMO-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357128 757512443 /nfs/dbraw/zinc/51/24/43/757512443.db2.gz JLWJJRPZNINHLI-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357128 757512447 /nfs/dbraw/zinc/51/24/47/757512447.db2.gz JLWJJRPZNINHLI-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357128 757512453 /nfs/dbraw/zinc/51/24/53/757512453.db2.gz JLWJJRPZNINHLI-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985132 757531312 /nfs/dbraw/zinc/53/13/12/757531312.db2.gz HNBWDWQHOBURRF-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985132 757531319 /nfs/dbraw/zinc/53/13/19/757531319.db2.gz HNBWDWQHOBURRF-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405353 757562491 /nfs/dbraw/zinc/56/24/91/757562491.db2.gz JAZWPEGJHLIADS-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405353 757562493 /nfs/dbraw/zinc/56/24/93/757562493.db2.gz JAZWPEGJHLIADS-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405353 757562496 /nfs/dbraw/zinc/56/24/96/757562496.db2.gz JAZWPEGJHLIADS-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614414 757709622 /nfs/dbraw/zinc/70/96/22/757709622.db2.gz VLVXQUCBLNJSCT-GDBMZVCRSA-N 2 1 315.417 1.511 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC001084614414 757709632 /nfs/dbraw/zinc/70/96/32/757709632.db2.gz VLVXQUCBLNJSCT-GDBMZVCRSA-N 2 1 315.417 1.511 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090399286 757732393 /nfs/dbraw/zinc/73/23/93/757732393.db2.gz MUNMDTFSEJTSNS-JKSUJKDBSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958501 758099487 /nfs/dbraw/zinc/09/94/87/758099487.db2.gz DGHJFQFUUUDPNG-HYVNUMGLSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084998134 758132882 /nfs/dbraw/zinc/13/28/82/758132882.db2.gz VVAJWSJDSOJOMS-BPQIPLTHSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054099420 759164363 /nfs/dbraw/zinc/16/43/63/759164363.db2.gz HWVJWFVBWXSCIH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099420 759164367 /nfs/dbraw/zinc/16/43/67/759164367.db2.gz HWVJWFVBWXSCIH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099420 759164373 /nfs/dbraw/zinc/16/43/73/759164373.db2.gz HWVJWFVBWXSCIH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085225268 759169376 /nfs/dbraw/zinc/16/93/76/759169376.db2.gz OXZZRTJGYAEYNG-KFWWJZLASA-N 2 1 302.422 1.964 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054198621 759286034 /nfs/dbraw/zinc/28/60/34/759286034.db2.gz BNBPITLHHBPIAD-WMZOPIPTSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001019386495 759881065 /nfs/dbraw/zinc/88/10/65/759881065.db2.gz PYXDXJVYHDWLNP-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001046850230 767982227 /nfs/dbraw/zinc/98/22/27/767982227.db2.gz PTBCMHLRYRJPJW-FUHWJXTLSA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086177020 761118426 /nfs/dbraw/zinc/11/84/26/761118426.db2.gz BFEASZMIKAAIHK-OWCLPIDISA-N 2 1 309.454 1.156 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001039006768 761639161 /nfs/dbraw/zinc/63/91/61/761639161.db2.gz OGNWGIXEZGUBQC-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001039006768 761639170 /nfs/dbraw/zinc/63/91/70/761639170.db2.gz OGNWGIXEZGUBQC-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001039006768 761639177 /nfs/dbraw/zinc/63/91/77/761639177.db2.gz OGNWGIXEZGUBQC-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001039006768 761639178 /nfs/dbraw/zinc/63/91/78/761639178.db2.gz OGNWGIXEZGUBQC-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001000363505 761668527 /nfs/dbraw/zinc/66/85/27/761668527.db2.gz JGMXHEAZWIUTAV-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039137876 761772514 /nfs/dbraw/zinc/77/25/14/761772514.db2.gz SZFMECWPMMFWPN-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039137876 761772516 /nfs/dbraw/zinc/77/25/16/761772516.db2.gz SZFMECWPMMFWPN-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039137876 761772520 /nfs/dbraw/zinc/77/25/20/761772520.db2.gz SZFMECWPMMFWPN-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173368 761797132 /nfs/dbraw/zinc/79/71/32/761797132.db2.gz VDVHKLMCDOEELV-KRWDZBQOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001332129 762768969 /nfs/dbraw/zinc/76/89/69/762768969.db2.gz KDQGIMRRSBTKOO-UHFFFAOYSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001001472477 762894441 /nfs/dbraw/zinc/89/44/41/762894441.db2.gz ROAZOHQRYRUBOJ-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001001472477 762894448 /nfs/dbraw/zinc/89/44/48/762894448.db2.gz ROAZOHQRYRUBOJ-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001001472477 762894452 /nfs/dbraw/zinc/89/44/52/762894452.db2.gz ROAZOHQRYRUBOJ-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041407744 763010373 /nfs/dbraw/zinc/01/03/73/763010373.db2.gz JAYRAPLSVPXHJC-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041407744 763010377 /nfs/dbraw/zinc/01/03/77/763010377.db2.gz JAYRAPLSVPXHJC-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041407744 763010382 /nfs/dbraw/zinc/01/03/82/763010382.db2.gz JAYRAPLSVPXHJC-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041439659 763032839 /nfs/dbraw/zinc/03/28/39/763032839.db2.gz HTGUKZMSTYZNNW-KRWDZBQOSA-N 2 1 303.450 1.725 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157777 763236496 /nfs/dbraw/zinc/23/64/96/763236496.db2.gz LOPLJMSJUOBPTG-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202277 763314687 /nfs/dbraw/zinc/31/46/87/763314687.db2.gz LIXCUDPUNBRBFW-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202277 763314696 /nfs/dbraw/zinc/31/46/96/763314696.db2.gz LIXCUDPUNBRBFW-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828716 763381330 /nfs/dbraw/zinc/38/13/30/763381330.db2.gz GAXCAUCVLWGMNU-HOCLYGCPSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041828716 763381340 /nfs/dbraw/zinc/38/13/40/763381340.db2.gz GAXCAUCVLWGMNU-HOCLYGCPSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041828716 763381351 /nfs/dbraw/zinc/38/13/51/763381351.db2.gz GAXCAUCVLWGMNU-HOCLYGCPSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041828716 763381359 /nfs/dbraw/zinc/38/13/59/763381359.db2.gz GAXCAUCVLWGMNU-HOCLYGCPSA-N 2 1 311.857 1.615 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156973 763721985 /nfs/dbraw/zinc/72/19/85/763721985.db2.gz LNIHPEOKYXRWSA-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156973 763721991 /nfs/dbraw/zinc/72/19/91/763721991.db2.gz LNIHPEOKYXRWSA-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050539365 763729140 /nfs/dbraw/zinc/72/91/40/763729140.db2.gz PPWRQFKEHWLVCK-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042367306 763970445 /nfs/dbraw/zinc/97/04/45/763970445.db2.gz FOISJESNBZXDIJ-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042368120 763971452 /nfs/dbraw/zinc/97/14/52/763971452.db2.gz OBRBRHQVAKDYOY-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050920557 764281866 /nfs/dbraw/zinc/28/18/66/764281866.db2.gz IIMPOUDLIOHOEY-IAGOWNOFSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050920557 764281875 /nfs/dbraw/zinc/28/18/75/764281875.db2.gz IIMPOUDLIOHOEY-IAGOWNOFSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131697409 768279740 /nfs/dbraw/zinc/27/97/40/768279740.db2.gz KNMTVCZJHBKQCO-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697409 768279743 /nfs/dbraw/zinc/27/97/43/768279743.db2.gz KNMTVCZJHBKQCO-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697409 768279746 /nfs/dbraw/zinc/27/97/46/768279746.db2.gz KNMTVCZJHBKQCO-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052456706 765847522 /nfs/dbraw/zinc/84/75/22/765847522.db2.gz IYIIDTBQSIQCJR-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052456706 765847529 /nfs/dbraw/zinc/84/75/29/765847529.db2.gz IYIIDTBQSIQCJR-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001052456706 765847536 /nfs/dbraw/zinc/84/75/36/765847536.db2.gz IYIIDTBQSIQCJR-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1 ZINC001052456706 765847540 /nfs/dbraw/zinc/84/75/40/765847540.db2.gz IYIIDTBQSIQCJR-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045439100 766307623 /nfs/dbraw/zinc/30/76/23/766307623.db2.gz ZEOCNFFHTIHUDP-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444524 766311894 /nfs/dbraw/zinc/31/18/94/766311894.db2.gz ODLAPMVTYCMTMA-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423014 767511944 /nfs/dbraw/zinc/51/19/44/767511944.db2.gz GWGHAZBWLVLFQM-HIFRSBDPSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CC)C1 ZINC001130438038 767533505 /nfs/dbraw/zinc/53/35/05/767533505.db2.gz IZWWAEINABTXCP-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130438038 767533513 /nfs/dbraw/zinc/53/35/13/767533513.db2.gz IZWWAEINABTXCP-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130438038 767533519 /nfs/dbraw/zinc/53/35/19/767533519.db2.gz IZWWAEINABTXCP-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP O=C(NCCNCC#Cc1ccccc1)[C@@H]1CCn2ccnc2C1 ZINC001130481323 767558352 /nfs/dbraw/zinc/55/83/52/767558352.db2.gz PRUWFHABMIRZEZ-QGZVFWFLSA-N 2 1 322.412 1.203 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046437825 767567830 /nfs/dbraw/zinc/56/78/30/767567830.db2.gz WTFUPWQGQGZPBU-SFHVURJKSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046617068 767742879 /nfs/dbraw/zinc/74/28/79/767742879.db2.gz AJRWPHUJLCNALA-YJBOKZPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046617068 767742882 /nfs/dbraw/zinc/74/28/82/767742882.db2.gz AJRWPHUJLCNALA-YJBOKZPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132364693 768778977 /nfs/dbraw/zinc/77/89/77/768778977.db2.gz DWVQOCGZRANVLO-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132364693 768778979 /nfs/dbraw/zinc/77/89/79/768778979.db2.gz DWVQOCGZRANVLO-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133263104 769642383 /nfs/dbraw/zinc/64/23/83/769642383.db2.gz PIIISRAJFWACEQ-SJORKVTESA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888099 770054542 /nfs/dbraw/zinc/05/45/42/770054542.db2.gz HYHVDVXILURUKH-YYIAUSFCSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888099 770054554 /nfs/dbraw/zinc/05/45/54/770054554.db2.gz HYHVDVXILURUKH-YYIAUSFCSA-N 2 1 301.434 1.027 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888792 770054968 /nfs/dbraw/zinc/05/49/68/770054968.db2.gz YPHDINRFYDYCAY-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888792 770054979 /nfs/dbraw/zinc/05/49/79/770054979.db2.gz YPHDINRFYDYCAY-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888792 770054992 /nfs/dbraw/zinc/05/49/92/770054992.db2.gz YPHDINRFYDYCAY-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821598 770125414 /nfs/dbraw/zinc/12/54/14/770125414.db2.gz QPEXDLLPTYMNQV-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821598 770125416 /nfs/dbraw/zinc/12/54/16/770125416.db2.gz QPEXDLLPTYMNQV-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821598 770125417 /nfs/dbraw/zinc/12/54/17/770125417.db2.gz QPEXDLLPTYMNQV-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006367 770241516 /nfs/dbraw/zinc/24/15/16/770241516.db2.gz XQLQLVXNAWWANK-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006367 770241521 /nfs/dbraw/zinc/24/15/21/770241521.db2.gz XQLQLVXNAWWANK-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006367 770241526 /nfs/dbraw/zinc/24/15/26/770241526.db2.gz XQLQLVXNAWWANK-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006367 770241530 /nfs/dbraw/zinc/24/15/30/770241530.db2.gz XQLQLVXNAWWANK-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049039994 770281552 /nfs/dbraw/zinc/28/15/52/770281552.db2.gz XDCQAWPHVYDRCD-IXDOHACOSA-N 2 1 307.482 1.929 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059101 770308750 /nfs/dbraw/zinc/30/87/50/770308750.db2.gz NMNVFVYCSLQRFT-RVKKMQEKSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059101 770308757 /nfs/dbraw/zinc/30/87/57/770308757.db2.gz NMNVFVYCSLQRFT-RVKKMQEKSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059101 770308769 /nfs/dbraw/zinc/30/87/69/770308769.db2.gz NMNVFVYCSLQRFT-RVKKMQEKSA-N 2 1 321.440 1.222 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)ncc4C3)C[C@H]2C1 ZINC001049061022 770312054 /nfs/dbraw/zinc/31/20/54/770312054.db2.gz WKADMQMFUZRKDF-HRCADAONSA-N 2 1 314.433 1.330 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049061022 770312064 /nfs/dbraw/zinc/31/20/64/770312064.db2.gz WKADMQMFUZRKDF-HRCADAONSA-N 2 1 314.433 1.330 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049061022 770312076 /nfs/dbraw/zinc/31/20/76/770312076.db2.gz WKADMQMFUZRKDF-HRCADAONSA-N 2 1 314.433 1.330 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049100890 770376627 /nfs/dbraw/zinc/37/66/27/770376627.db2.gz RWRBYCDEFNPZMX-CALCHBBNSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165714 770487433 /nfs/dbraw/zinc/48/74/33/770487433.db2.gz ZCJCEOJZGQFDFK-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165714 770487437 /nfs/dbraw/zinc/48/74/37/770487437.db2.gz ZCJCEOJZGQFDFK-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165714 770487442 /nfs/dbraw/zinc/48/74/42/770487442.db2.gz ZCJCEOJZGQFDFK-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171150 770494798 /nfs/dbraw/zinc/49/47/98/770494798.db2.gz MGCDPAJMENWTKD-BDXSIMOUSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001072099365 770541194 /nfs/dbraw/zinc/54/11/94/770541194.db2.gz PUDKQTAPQQJDKR-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049485373 770917561 /nfs/dbraw/zinc/91/75/61/770917561.db2.gz MXXVFHKUYWMQSN-QBPKDAKJSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049485373 770917568 /nfs/dbraw/zinc/91/75/68/770917568.db2.gz MXXVFHKUYWMQSN-QBPKDAKJSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049485373 770917572 /nfs/dbraw/zinc/91/75/72/770917572.db2.gz MXXVFHKUYWMQSN-QBPKDAKJSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001049673065 771072908 /nfs/dbraw/zinc/07/29/08/771072908.db2.gz PBQWIURTJFENTE-BBWFWOEESA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001049673065 771072914 /nfs/dbraw/zinc/07/29/14/771072914.db2.gz PBQWIURTJFENTE-BBWFWOEESA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049673065 771072921 /nfs/dbraw/zinc/07/29/21/771072921.db2.gz PBQWIURTJFENTE-BBWFWOEESA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049673065 771072925 /nfs/dbraw/zinc/07/29/25/771072925.db2.gz PBQWIURTJFENTE-BBWFWOEESA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806011 771175114 /nfs/dbraw/zinc/17/51/14/771175114.db2.gz LXNSLWFVHCFIMN-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806907 771175970 /nfs/dbraw/zinc/17/59/70/771175970.db2.gz PNBPEPPRUHMKIW-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021536 771282035 /nfs/dbraw/zinc/28/20/35/771282035.db2.gz PCQCXGDQSGTNEW-KBPBESRZSA-N 2 1 304.438 1.821 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691192 772112943 /nfs/dbraw/zinc/11/29/43/772112943.db2.gz ADTDEQYAESUQKE-IRXDYDNUSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611426 773213772 /nfs/dbraw/zinc/21/37/72/773213772.db2.gz WPMNGPDYERDBHD-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611426 773213773 /nfs/dbraw/zinc/21/37/73/773213773.db2.gz WPMNGPDYERDBHD-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611426 773213779 /nfs/dbraw/zinc/21/37/79/773213779.db2.gz WPMNGPDYERDBHD-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147985593 773322779 /nfs/dbraw/zinc/32/27/79/773322779.db2.gz JSZWJBLYNBHKCQ-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091682988 773378221 /nfs/dbraw/zinc/37/82/21/773378221.db2.gz AWZVSSNTNVLYOG-KONPQCLYSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091682988 773378228 /nfs/dbraw/zinc/37/82/28/773378228.db2.gz AWZVSSNTNVLYOG-KONPQCLYSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091682988 773378236 /nfs/dbraw/zinc/37/82/36/773378236.db2.gz AWZVSSNTNVLYOG-KONPQCLYSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687081 773387394 /nfs/dbraw/zinc/38/73/94/773387394.db2.gz OIAAOFSNIQDWCK-NTDBWNAOSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687081 773387402 /nfs/dbraw/zinc/38/74/02/773387402.db2.gz OIAAOFSNIQDWCK-NTDBWNAOSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091687081 773387410 /nfs/dbraw/zinc/38/74/10/773387410.db2.gz OIAAOFSNIQDWCK-NTDBWNAOSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899282 773509672 /nfs/dbraw/zinc/50/96/72/773509672.db2.gz PMZVANVXBJWDIJ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899282 773509673 /nfs/dbraw/zinc/50/96/73/773509673.db2.gz PMZVANVXBJWDIJ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899282 773509675 /nfs/dbraw/zinc/50/96/75/773509675.db2.gz PMZVANVXBJWDIJ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148612213 773533622 /nfs/dbraw/zinc/53/36/22/773533622.db2.gz WXFZKFZPEDCXQQ-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001074837788 774177876 /nfs/dbraw/zinc/17/78/76/774177876.db2.gz OLCSJTFYNVEZDV-BJJXKVORSA-N 2 1 302.422 1.519 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912753 774299656 /nfs/dbraw/zinc/29/96/56/774299656.db2.gz YUNXJUAAKYTVBB-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912753 774299661 /nfs/dbraw/zinc/29/96/61/774299661.db2.gz YUNXJUAAKYTVBB-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912753 774299666 /nfs/dbraw/zinc/29/96/66/774299666.db2.gz YUNXJUAAKYTVBB-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092907091 774315245 /nfs/dbraw/zinc/31/52/45/774315245.db2.gz RQHCKYTZVLBJPB-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907091 774315251 /nfs/dbraw/zinc/31/52/51/774315251.db2.gz RQHCKYTZVLBJPB-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907091 774315257 /nfs/dbraw/zinc/31/52/57/774315257.db2.gz RQHCKYTZVLBJPB-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773471 774567233 /nfs/dbraw/zinc/56/72/33/774567233.db2.gz ODIRYLLPIDAGTF-CRAIPNDOSA-N 2 1 322.412 1.894 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098837418 774689714 /nfs/dbraw/zinc/68/97/14/774689714.db2.gz PAZPPPDWGRRWJG-SCTDSRPQSA-N 2 1 317.477 1.875 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036819953 774747122 /nfs/dbraw/zinc/74/71/22/774747122.db2.gz AGGMIIUABRHCEY-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036819953 774747124 /nfs/dbraw/zinc/74/71/24/774747124.db2.gz AGGMIIUABRHCEY-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036870571 775008370 /nfs/dbraw/zinc/00/83/70/775008370.db2.gz XPXPBPWTOWHFAY-CABCVRRESA-N 2 1 323.868 1.758 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034165 775599125 /nfs/dbraw/zinc/59/91/25/775599125.db2.gz OYLXXVZVKWWXRT-JKSUJKDBSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034165 775599128 /nfs/dbraw/zinc/59/91/28/775599128.db2.gz OYLXXVZVKWWXRT-JKSUJKDBSA-N 2 1 320.437 1.099 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100345885 776029706 /nfs/dbraw/zinc/02/97/06/776029706.db2.gz FHCCVRSJJYMQGD-QQFBHYJXSA-N 2 1 316.449 1.904 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904879 776081702 /nfs/dbraw/zinc/08/17/02/776081702.db2.gz YTODXACDIAYTSM-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100415190 776122214 /nfs/dbraw/zinc/12/22/14/776122214.db2.gz CUBVTYWEKDHCQR-JCYILVPMSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC(C)C)C1 ZINC001100415190 776122220 /nfs/dbraw/zinc/12/22/20/776122220.db2.gz CUBVTYWEKDHCQR-JCYILVPMSA-N 2 1 305.466 1.615 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001171726060 776424228 /nfs/dbraw/zinc/42/42/28/776424228.db2.gz VEJRXLMGADEBAK-UHFFFAOYSA-N 2 1 322.478 1.948 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187335 776975234 /nfs/dbraw/zinc/97/52/34/776975234.db2.gz OONFMJGLHIOWLQ-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001101187335 776975237 /nfs/dbraw/zinc/97/52/37/776975237.db2.gz OONFMJGLHIOWLQ-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187335 776975238 /nfs/dbraw/zinc/97/52/38/776975238.db2.gz OONFMJGLHIOWLQ-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001101187335 776975243 /nfs/dbraw/zinc/97/52/43/776975243.db2.gz OONFMJGLHIOWLQ-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466767 778155372 /nfs/dbraw/zinc/15/53/72/778155372.db2.gz WZKLRPXWZZDCLH-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466767 778155373 /nfs/dbraw/zinc/15/53/73/778155373.db2.gz WZKLRPXWZZDCLH-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179651591 779435994 /nfs/dbraw/zinc/43/59/94/779435994.db2.gz JOSLSDQGYLZXEJ-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@H]2C)CCCCC1 ZINC001115729701 780380632 /nfs/dbraw/zinc/38/06/32/780380632.db2.gz PSDQTKCMSBJLEF-MRXNPFEDSA-N 2 1 305.466 1.903 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170712 781797911 /nfs/dbraw/zinc/79/79/11/781797911.db2.gz QMADYFKOYITGNG-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170712 781797919 /nfs/dbraw/zinc/79/79/19/781797919.db2.gz QMADYFKOYITGNG-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001267144839 837412692 /nfs/dbraw/zinc/41/26/92/837412692.db2.gz HJXYVVWYAAOCRH-AWEZNQCLSA-N 2 1 318.421 1.392 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001266361388 836171780 /nfs/dbraw/zinc/17/17/80/836171780.db2.gz MEIBBZCRUHPSKD-DUMMIQTOSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267115545 837380096 /nfs/dbraw/zinc/38/00/96/837380096.db2.gz WLBRHWYMAQESNF-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267115545 837380105 /nfs/dbraw/zinc/38/01/05/837380105.db2.gz WLBRHWYMAQESNF-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267115545 837380117 /nfs/dbraw/zinc/38/01/17/837380117.db2.gz WLBRHWYMAQESNF-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267708097 838691741 /nfs/dbraw/zinc/69/17/41/838691741.db2.gz JCAVTFZEOYYRMP-KRWDZBQOSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCCC1 ZINC001268047084 839593813 /nfs/dbraw/zinc/59/38/13/839593813.db2.gz XVTRSFOCPHKQNA-UHFFFAOYSA-N 2 1 318.421 1.392 20 30 DDEDMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268824562 840871520 /nfs/dbraw/zinc/87/15/20/840871520.db2.gz INTREADHCHWBNN-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001268950266 841030801 /nfs/dbraw/zinc/03/08/01/841030801.db2.gz QMMZXZJIIBCOTF-UHFFFAOYSA-N 2 1 324.428 1.681 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001269744621 841997565 /nfs/dbraw/zinc/99/75/65/841997565.db2.gz FRMCCTPVYYYPMI-GOSISDBHSA-N 2 1 303.450 1.420 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001269742743 841998744 /nfs/dbraw/zinc/99/87/44/841998744.db2.gz VPOMOSXOCRNUIY-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CC#C)CC1 ZINC001270314983 842481690 /nfs/dbraw/zinc/48/16/90/842481690.db2.gz BXOMMVBYTNVSTB-GOSISDBHSA-N 2 1 315.461 1.419 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270403961 842550672 /nfs/dbraw/zinc/55/06/72/842550672.db2.gz PYOXMFCPWRMWMY-DLBZAZTESA-N 2 1 305.466 1.759 20 30 DDEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001270486655 842611885 /nfs/dbraw/zinc/61/18/85/842611885.db2.gz OJEPDLVXUAPEJA-IAGOWNOFSA-N 2 1 323.481 1.100 20 30 DDEDMP C=CCC[NH+]1CC(O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001271367884 843527978 /nfs/dbraw/zinc/52/79/78/843527978.db2.gz FVRCJLYGMJTDSW-UHFFFAOYSA-N 2 1 317.433 1.101 20 30 DDEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001272235433 844815221 /nfs/dbraw/zinc/81/52/21/844815221.db2.gz NCWKWUUTMPZTCJ-QGZVFWFLSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001272392103 846096230 /nfs/dbraw/zinc/09/62/30/846096230.db2.gz FXZNCDZITBZJIO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001272392103 846096235 /nfs/dbraw/zinc/09/62/35/846096235.db2.gz FXZNCDZITBZJIO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCC1 ZINC001326845837 861654468 /nfs/dbraw/zinc/65/44/68/861654468.db2.gz KXGCWLFPXPJCDX-UHFFFAOYSA-N 2 1 306.410 1.554 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001327079685 861860061 /nfs/dbraw/zinc/86/00/61/861860061.db2.gz JPCGDZLWSYTQNO-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149847207 861941673 /nfs/dbraw/zinc/94/16/73/861941673.db2.gz CJOMENZNUSKNQY-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149847207 861941685 /nfs/dbraw/zinc/94/16/85/861941685.db2.gz CJOMENZNUSKNQY-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149847207 861941704 /nfs/dbraw/zinc/94/17/04/861941704.db2.gz CJOMENZNUSKNQY-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001274490932 852324179 /nfs/dbraw/zinc/32/41/79/852324179.db2.gz ZDUTYRJKSRDKKH-FPLPWBNLSA-N 2 1 313.445 1.642 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001274578262 852410743 /nfs/dbraw/zinc/41/07/43/852410743.db2.gz GVQIAKGMILGTNJ-NSCUHMNNSA-N 2 1 323.400 1.525 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761379 862456509 /nfs/dbraw/zinc/45/65/09/862456509.db2.gz NEHAHYZRNQVUQY-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]C(C)C)C(C)C ZINC001276122825 854782582 /nfs/dbraw/zinc/78/25/82/854782582.db2.gz JTURTWILNWRIGS-IRXDYDNUSA-N 2 1 307.482 1.955 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]C(C)C)C(C)C ZINC001276122825 854782587 /nfs/dbraw/zinc/78/25/87/854782587.db2.gz JTURTWILNWRIGS-IRXDYDNUSA-N 2 1 307.482 1.955 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049597083 857037307 /nfs/dbraw/zinc/03/73/07/857037307.db2.gz ZTUSHJBKFFNVID-HZPDHXFCSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049597083 857037312 /nfs/dbraw/zinc/03/73/12/857037312.db2.gz ZTUSHJBKFFNVID-HZPDHXFCSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886176 857844847 /nfs/dbraw/zinc/84/48/47/857844847.db2.gz ISOPHVHQXUKXQF-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886176 857844855 /nfs/dbraw/zinc/84/48/55/857844855.db2.gz ISOPHVHQXUKXQF-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886176 857844866 /nfs/dbraw/zinc/84/48/66/857844866.db2.gz ISOPHVHQXUKXQF-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072981510 857963829 /nfs/dbraw/zinc/96/38/29/857963829.db2.gz JPOCWVSHHFYIQY-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981510 857963834 /nfs/dbraw/zinc/96/38/34/857963834.db2.gz JPOCWVSHHFYIQY-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072981510 857963840 /nfs/dbraw/zinc/96/38/40/857963840.db2.gz JPOCWVSHHFYIQY-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073127954 858122944 /nfs/dbraw/zinc/12/29/44/858122944.db2.gz LYOGNYQFIHOPGO-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073127954 858122946 /nfs/dbraw/zinc/12/29/46/858122946.db2.gz LYOGNYQFIHOPGO-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073127954 858122947 /nfs/dbraw/zinc/12/29/47/858122947.db2.gz LYOGNYQFIHOPGO-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001121772734 858593580 /nfs/dbraw/zinc/59/35/80/858593580.db2.gz HXLSWZXWHRVOCQ-AILYUCJNSA-N 2 1 303.450 1.224 20 30 DDEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177854 858704176 /nfs/dbraw/zinc/70/41/76/858704176.db2.gz KVKYOBKXNFLVMM-JFPDKAJLSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(C)CC[NH+](CC)CC ZINC001276980386 881444307 /nfs/dbraw/zinc/44/43/07/881444307.db2.gz XJVZYSQCEXUTSB-FUHWJXTLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCOc1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1 ZINC001138557766 860129057 /nfs/dbraw/zinc/12/90/57/860129057.db2.gz QIIOCBUIZGMAHE-UHFFFAOYSA-N 2 1 315.461 1.768 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203044257 860650125 /nfs/dbraw/zinc/65/01/25/860650125.db2.gz ISTMNXZXZVVJJI-HOTGVXAUSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001328787471 863224575 /nfs/dbraw/zinc/22/45/75/863224575.db2.gz WLOGGZWZSFOUIR-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001328787471 863224590 /nfs/dbraw/zinc/22/45/90/863224590.db2.gz WLOGGZWZSFOUIR-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001328787471 863224603 /nfs/dbraw/zinc/22/46/03/863224603.db2.gz WLOGGZWZSFOUIR-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1ccnc1C ZINC001328799791 863235437 /nfs/dbraw/zinc/23/54/37/863235437.db2.gz ZEDDETYIFKDBHQ-MRXNPFEDSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CCOCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001328799791 863235452 /nfs/dbraw/zinc/23/54/52/863235452.db2.gz ZEDDETYIFKDBHQ-MRXNPFEDSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001328799791 863235469 /nfs/dbraw/zinc/23/54/69/863235469.db2.gz ZEDDETYIFKDBHQ-MRXNPFEDSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CCC[NH2+]CC1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001328879211 863304592 /nfs/dbraw/zinc/30/45/92/863304592.db2.gz BHXYVZKDGRLBSY-UHFFFAOYSA-N 2 1 306.410 1.410 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001152452232 863359503 /nfs/dbraw/zinc/35/95/03/863359503.db2.gz XFRNIPWAHQMKFY-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC(C)C2)CC1 ZINC001329623119 863756415 /nfs/dbraw/zinc/75/64/15/863756415.db2.gz HUTNMSCONPNJII-AQFXKWCLSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330447976 864355866 /nfs/dbraw/zinc/35/58/66/864355866.db2.gz WFOREHXGUXGOQA-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001158066170 864402584 /nfs/dbraw/zinc/40/25/84/864402584.db2.gz NAUMRALRIQHNEG-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158066170 864402585 /nfs/dbraw/zinc/40/25/85/864402585.db2.gz NAUMRALRIQHNEG-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001158066170 864402587 /nfs/dbraw/zinc/40/25/87/864402587.db2.gz NAUMRALRIQHNEG-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225347187 881788731 /nfs/dbraw/zinc/78/87/31/881788731.db2.gz VTBHKDPMFLSUSI-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158764008 864888439 /nfs/dbraw/zinc/88/84/39/864888439.db2.gz LYNMUQPBLYLMRN-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868467 865573230 /nfs/dbraw/zinc/57/32/30/865573230.db2.gz DNMQYZIHCYZNKM-QGZVFWFLSA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001332114951 865587657 /nfs/dbraw/zinc/58/76/57/865587657.db2.gz ZXSLNHVNUYLFSE-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001332114948 865588053 /nfs/dbraw/zinc/58/80/53/865588053.db2.gz ZXSLNHVNUYLFSE-CRAIPNDOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001160197968 865722248 /nfs/dbraw/zinc/72/22/48/865722248.db2.gz QCEXFHLLAARDHS-IRXDYDNUSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001160197968 865722253 /nfs/dbraw/zinc/72/22/53/865722253.db2.gz QCEXFHLLAARDHS-IRXDYDNUSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160466927 865864217 /nfs/dbraw/zinc/86/42/17/865864217.db2.gz LQTFQKZVPJSFDJ-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160466927 865864225 /nfs/dbraw/zinc/86/42/25/865864225.db2.gz LQTFQKZVPJSFDJ-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466927 865864235 /nfs/dbraw/zinc/86/42/35/865864235.db2.gz LQTFQKZVPJSFDJ-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160466927 865864244 /nfs/dbraw/zinc/86/42/44/865864244.db2.gz LQTFQKZVPJSFDJ-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C#CCN(C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001332710912 866086579 /nfs/dbraw/zinc/08/65/79/866086579.db2.gz MWCOLOUPVRIFNX-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001332710912 866086597 /nfs/dbraw/zinc/08/65/97/866086597.db2.gz MWCOLOUPVRIFNX-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001332710912 866086616 /nfs/dbraw/zinc/08/66/16/866086616.db2.gz MWCOLOUPVRIFNX-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)C ZINC001332710912 866086634 /nfs/dbraw/zinc/08/66/34/866086634.db2.gz MWCOLOUPVRIFNX-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C(C)C ZINC001332710912 866086649 /nfs/dbraw/zinc/08/66/49/866086649.db2.gz MWCOLOUPVRIFNX-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001319775270 866285067 /nfs/dbraw/zinc/28/50/67/866285067.db2.gz SVKFJWVEHSQBKT-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001161623029 866817594 /nfs/dbraw/zinc/81/75/94/866817594.db2.gz YERBKDDVRUDCKO-UHFFFAOYSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001161704464 866910271 /nfs/dbraw/zinc/91/02/71/866910271.db2.gz AIYLPVJOOSITBV-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161704464 866910296 /nfs/dbraw/zinc/91/02/96/866910296.db2.gz AIYLPVJOOSITBV-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001161704464 866910317 /nfs/dbraw/zinc/91/03/17/866910317.db2.gz AIYLPVJOOSITBV-QGZVFWFLSA-N 2 1 303.450 1.490 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161723008 866932770 /nfs/dbraw/zinc/93/27/70/866932770.db2.gz JFZBMRHRJZTRDQ-UHFFFAOYSA-N 2 1 303.450 1.797 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001324087851 867060606 /nfs/dbraw/zinc/06/06/06/867060606.db2.gz JPYVOAGYUFGRLG-GOEBONIOSA-N 2 1 302.422 1.574 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)(COC)CC1 ZINC001162568309 867647143 /nfs/dbraw/zinc/64/71/43/867647143.db2.gz ACYXUTMSZNDYAG-UHFFFAOYSA-N 2 1 323.481 1.196 20 30 DDEDMP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324960955 867663014 /nfs/dbraw/zinc/66/30/14/867663014.db2.gz LPZTYDPKGULFNU-GOSISDBHSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324960955 867663016 /nfs/dbraw/zinc/66/30/16/867663016.db2.gz LPZTYDPKGULFNU-GOSISDBHSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324960955 867663019 /nfs/dbraw/zinc/66/30/19/867663019.db2.gz LPZTYDPKGULFNU-GOSISDBHSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@H](F)CC)CC1 ZINC001322308737 868109029 /nfs/dbraw/zinc/10/90/29/868109029.db2.gz ZKPRGQVBSSYADS-GDBMZVCRSA-N 2 1 311.445 1.516 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728802 869694017 /nfs/dbraw/zinc/69/40/17/869694017.db2.gz UUWHSXYVRBNRRA-HUUCEWRRSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728802 869694023 /nfs/dbraw/zinc/69/40/23/869694023.db2.gz UUWHSXYVRBNRRA-HUUCEWRRSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001317008023 870113328 /nfs/dbraw/zinc/11/33/28/870113328.db2.gz UCNMZTIYVLKZMJ-HZPDHXFCSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736036 870206035 /nfs/dbraw/zinc/20/60/35/870206035.db2.gz AQIORJJYOUNAGQ-UHFFFAOYSA-N 2 1 306.410 1.556 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317136662 870336063 /nfs/dbraw/zinc/33/60/63/870336063.db2.gz CVQRWYUAJMPXSQ-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317337310 870667549 /nfs/dbraw/zinc/66/75/49/870667549.db2.gz KZJOYJWRSMCMLH-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203729523 870729201 /nfs/dbraw/zinc/72/92/01/870729201.db2.gz HALNXCPLBLPECA-GJZGRUSLSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317422244 870798262 /nfs/dbraw/zinc/79/82/62/870798262.db2.gz GWEMZHQEVLUCBL-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317422244 870798270 /nfs/dbraw/zinc/79/82/70/870798270.db2.gz GWEMZHQEVLUCBL-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317422244 870798274 /nfs/dbraw/zinc/79/82/74/870798274.db2.gz GWEMZHQEVLUCBL-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001317425417 870807697 /nfs/dbraw/zinc/80/76/97/870807697.db2.gz ZKZRKZGAGDEWLX-MSOLQXFVSA-N 2 1 315.461 1.468 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001317425417 870807709 /nfs/dbraw/zinc/80/77/09/870807709.db2.gz ZKZRKZGAGDEWLX-MSOLQXFVSA-N 2 1 315.461 1.468 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001317425417 870807719 /nfs/dbraw/zinc/80/77/19/870807719.db2.gz ZKZRKZGAGDEWLX-MSOLQXFVSA-N 2 1 315.461 1.468 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001317425417 870807726 /nfs/dbraw/zinc/80/77/26/870807726.db2.gz ZKZRKZGAGDEWLX-MSOLQXFVSA-N 2 1 315.461 1.468 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317178122 870948476 /nfs/dbraw/zinc/94/84/76/870948476.db2.gz ABCSFEFMRAHQBG-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317178122 870948485 /nfs/dbraw/zinc/94/84/85/870948485.db2.gz ABCSFEFMRAHQBG-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+](CCC)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317545276 871038173 /nfs/dbraw/zinc/03/81/73/871038173.db2.gz YQEOPTMBGBGYNU-UHFFFAOYSA-N 2 1 301.434 1.823 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205285296 871485092 /nfs/dbraw/zinc/48/50/92/871485092.db2.gz VTWWQZFHXGSZIB-QZTJIDSGSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC)CC1 ZINC001205479703 871576119 /nfs/dbraw/zinc/57/61/19/871576119.db2.gz UCPWJIXOYSZSAY-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC)CC1 ZINC001205479703 871576132 /nfs/dbraw/zinc/57/61/32/871576132.db2.gz UCPWJIXOYSZSAY-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001318483365 872106542 /nfs/dbraw/zinc/10/65/42/872106542.db2.gz QPVDZSVUJWYPOU-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001318483365 872106552 /nfs/dbraw/zinc/10/65/52/872106552.db2.gz QPVDZSVUJWYPOU-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316950329 872451226 /nfs/dbraw/zinc/45/12/26/872451226.db2.gz NWBXDAVYYIFERN-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316950329 872451236 /nfs/dbraw/zinc/45/12/36/872451236.db2.gz NWBXDAVYYIFERN-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001378808963 875675327 /nfs/dbraw/zinc/67/53/27/875675327.db2.gz XODZIHVXDNFVCR-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001220667362 879172299 /nfs/dbraw/zinc/17/22/99/879172299.db2.gz FYNXQWYZYZILCI-SJORKVTESA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046781 880199120 /nfs/dbraw/zinc/19/91/20/880199120.db2.gz WBGSOUYXWDLTQH-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)cn2)CC1 ZINC001232366889 886307731 /nfs/dbraw/zinc/30/77/31/886307731.db2.gz RXXDPQXONIOZIL-MRXNPFEDSA-N 2 1 313.449 1.959 20 30 DDEDMP C[C@@H](NC(=O)NCC#CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001233954242 887494205 /nfs/dbraw/zinc/49/42/05/887494205.db2.gz SXBYKARDRDFKMA-HZPDHXFCSA-N 2 1 320.481 1.504 20 30 DDEDMP N#CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277938616 888573283 /nfs/dbraw/zinc/57/32/83/888573283.db2.gz CIGDYZVBGXDFOS-GASCZTMLSA-N 2 1 300.406 1.845 20 30 DDEDMP N#CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277938616 888573291 /nfs/dbraw/zinc/57/32/91/888573291.db2.gz CIGDYZVBGXDFOS-GASCZTMLSA-N 2 1 300.406 1.845 20 30 DDEDMP N#CCC[N@H+]1C[C@@H]2CC[NH+](Cc3cccc(=O)[nH]3)CC[C@@H]2C1 ZINC001277938616 888573298 /nfs/dbraw/zinc/57/32/98/888573298.db2.gz CIGDYZVBGXDFOS-GASCZTMLSA-N 2 1 300.406 1.845 20 30 DDEDMP N#CCCC[N@@H+]1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001277941970 888603188 /nfs/dbraw/zinc/60/31/88/888603188.db2.gz YDYZKGXMPGTOLE-GVDBMIGSSA-N 2 1 316.449 1.307 20 30 DDEDMP C#Cc1ccc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)cc1 ZINC001236028024 889065191 /nfs/dbraw/zinc/06/51/91/889065191.db2.gz AEOXUKXUZBHXIK-RMJJICAUSA-N 2 1 324.424 1.498 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278147670 889855269 /nfs/dbraw/zinc/85/52/69/889855269.db2.gz KBKJYYAWWMOSLO-IIDMSEBBSA-N 2 1 316.449 1.213 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278147670 889855277 /nfs/dbraw/zinc/85/52/77/889855277.db2.gz KBKJYYAWWMOSLO-IIDMSEBBSA-N 2 1 316.449 1.213 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278147670 889855282 /nfs/dbraw/zinc/85/52/82/889855282.db2.gz KBKJYYAWWMOSLO-IIDMSEBBSA-N 2 1 316.449 1.213 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001278349263 891455247 /nfs/dbraw/zinc/45/52/47/891455247.db2.gz DLIVOKZUVLHWTM-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001278349263 891455254 /nfs/dbraw/zinc/45/52/54/891455254.db2.gz DLIVOKZUVLHWTM-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001278349263 891455260 /nfs/dbraw/zinc/45/52/60/891455260.db2.gz DLIVOKZUVLHWTM-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC001246530693 892680671 /nfs/dbraw/zinc/68/06/71/892680671.db2.gz AIAZEMQNEWPQLW-GJZGRUSLSA-N 2 1 307.438 1.847 20 30 DDEDMP N#Cc1ccc(F)c(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)c1 ZINC001249327771 893932115 /nfs/dbraw/zinc/93/21/15/893932115.db2.gz LNNRNQMFZAEUOX-ZDUSSCGKSA-N 2 1 301.325 1.747 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001278521115 894057417 /nfs/dbraw/zinc/05/74/17/894057417.db2.gz LPEWZYGCGYRXSW-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001278521115 894057433 /nfs/dbraw/zinc/05/74/33/894057433.db2.gz LPEWZYGCGYRXSW-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001252490541 895211236 /nfs/dbraw/zinc/21/12/36/895211236.db2.gz AUGUIVJGUQJZJK-BDXSIMOUSA-N 2 1 302.418 1.270 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001252490541 895211247 /nfs/dbraw/zinc/21/12/47/895211247.db2.gz AUGUIVJGUQJZJK-BDXSIMOUSA-N 2 1 302.418 1.270 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC)CCOCC1 ZINC001278710989 895779562 /nfs/dbraw/zinc/77/95/62/895779562.db2.gz IGHZGRGKHFJPCB-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC)CCOCC1 ZINC001278710989 895779578 /nfs/dbraw/zinc/77/95/78/895779578.db2.gz IGHZGRGKHFJPCB-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278747149 896156480 /nfs/dbraw/zinc/15/64/80/896156480.db2.gz HCRQUXQGMJGOQI-ZDUSSCGKSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278747149 896156489 /nfs/dbraw/zinc/15/64/89/896156489.db2.gz HCRQUXQGMJGOQI-ZDUSSCGKSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278747148 896157364 /nfs/dbraw/zinc/15/73/64/896157364.db2.gz HCRQUXQGMJGOQI-CYBMUJFWSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001278747148 896157371 /nfs/dbraw/zinc/15/73/71/896157371.db2.gz HCRQUXQGMJGOQI-CYBMUJFWSA-N 2 1 313.392 1.035 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001374834032 914080803 /nfs/dbraw/zinc/08/08/03/914080803.db2.gz PXVOFBQIMNPFFE-CQSZACIVSA-N 2 1 302.422 1.494 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001278910761 897281331 /nfs/dbraw/zinc/28/13/31/897281331.db2.gz LKLUJNDMMMLKEZ-INIZCTEOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001278910761 897281349 /nfs/dbraw/zinc/28/13/49/897281349.db2.gz LKLUJNDMMMLKEZ-INIZCTEOSA-N 2 1 323.481 1.378 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001265707865 902325246 /nfs/dbraw/zinc/32/52/46/902325246.db2.gz GSSCXTALCUOIKZ-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265707865 902325254 /nfs/dbraw/zinc/32/52/54/902325254.db2.gz GSSCXTALCUOIKZ-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265707865 902325261 /nfs/dbraw/zinc/32/52/61/902325261.db2.gz GSSCXTALCUOIKZ-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001266138461 903006059 /nfs/dbraw/zinc/00/60/59/903006059.db2.gz HSPHRHFJXFRXKK-QGZVFWFLSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001316598561 903403905 /nfs/dbraw/zinc/40/39/05/903403905.db2.gz CBPHWRXAFFYVLZ-HNNXBMFYSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001316598561 903403919 /nfs/dbraw/zinc/40/39/19/903403919.db2.gz CBPHWRXAFFYVLZ-HNNXBMFYSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCC1 ZINC001280485429 903727844 /nfs/dbraw/zinc/72/78/44/903727844.db2.gz MWPPDSKQBRJAIC-CABCVRRESA-N 2 1 309.429 1.461 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCC1 ZINC001280485429 903727856 /nfs/dbraw/zinc/72/78/56/903727856.db2.gz MWPPDSKQBRJAIC-CABCVRRESA-N 2 1 309.429 1.461 20 30 DDEDMP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001280855934 904120568 /nfs/dbraw/zinc/12/05/68/904120568.db2.gz DSMGWCLRJGWQDU-HNNXBMFYSA-N 2 1 302.422 1.167 20 30 DDEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001280855934 904120573 /nfs/dbraw/zinc/12/05/73/904120573.db2.gz DSMGWCLRJGWQDU-HNNXBMFYSA-N 2 1 302.422 1.167 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(C#N)ccc1F ZINC001371145706 904346719 /nfs/dbraw/zinc/34/67/19/904346719.db2.gz XLWQFUOSIVYIPE-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP C=CCN1CC[NH+](CCCCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001281789958 905223475 /nfs/dbraw/zinc/22/34/75/905223475.db2.gz LYBFUUYKJRYGEI-KRWDZBQOSA-N 2 1 322.497 1.028 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C(C)(C)C1 ZINC001282820756 906068279 /nfs/dbraw/zinc/06/82/79/906068279.db2.gz MMWXCRLNOZQINW-ZFWWWQNUSA-N 2 1 302.422 1.438 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001283612457 907679853 /nfs/dbraw/zinc/67/98/53/907679853.db2.gz QNXKONVWYMGUBZ-LSDHHAIUSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001284492463 909073934 /nfs/dbraw/zinc/07/39/34/909073934.db2.gz KHFDBCZYJHROLC-MRXNPFEDSA-N 2 1 323.481 1.025 20 30 DDEDMP Cc1cc(C)cc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000081660732 353687093 /nfs/dbraw/zinc/68/70/93/353687093.db2.gz SLWXUGFJWGNIRE-UHFFFAOYSA-N 2 1 318.465 1.473 20 30 DDEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCc2ccccc21 ZINC000088637891 353757934 /nfs/dbraw/zinc/75/79/34/353757934.db2.gz SOWAXCBLAPSBGD-INIZCTEOSA-N 2 1 315.465 1.260 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)c(C(F)(F)F)c1 ZINC000595894155 356694589 /nfs/dbraw/zinc/69/45/89/356694589.db2.gz WDFRCTRNXFITBV-UHFFFAOYSA-N 2 1 313.323 1.863 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ccccn2c1C#N ZINC000596361534 356864187 /nfs/dbraw/zinc/86/41/87/356864187.db2.gz VDVZVOOGZNWTBS-AWEZNQCLSA-N 2 1 314.437 1.890 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccccn2c1C#N ZINC000596361534 356864191 /nfs/dbraw/zinc/86/41/91/356864191.db2.gz VDVZVOOGZNWTBS-AWEZNQCLSA-N 2 1 314.437 1.890 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000596690968 356953417 /nfs/dbraw/zinc/95/34/17/356953417.db2.gz VGGYHQWJCZGMKT-HOCLYGCPSA-N 2 1 309.458 1.204 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000596690968 356953420 /nfs/dbraw/zinc/95/34/20/356953420.db2.gz VGGYHQWJCZGMKT-HOCLYGCPSA-N 2 1 309.458 1.204 20 30 DDEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000329907317 223045931 /nfs/dbraw/zinc/04/59/31/223045931.db2.gz SVKXGXUCVHWKSS-ZNMIVQPWSA-N 2 1 317.437 1.576 20 30 DDEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329907317 223045935 /nfs/dbraw/zinc/04/59/35/223045935.db2.gz SVKXGXUCVHWKSS-ZNMIVQPWSA-N 2 1 317.437 1.576 20 30 DDEDMP Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000611519061 360743988 /nfs/dbraw/zinc/74/39/88/360743988.db2.gz ZJRVLFZBRXCLMX-HOTGVXAUSA-N 2 1 307.401 1.610 20 30 DDEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343314410 223319766 /nfs/dbraw/zinc/31/97/66/223319766.db2.gz NGPGJOALMHGZCH-UHFFFAOYSA-N 2 1 320.481 1.706 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000272890769 210281365 /nfs/dbraw/zinc/28/13/65/210281365.db2.gz ZFSANZQSDMJKMU-HNNXBMFYSA-N 2 1 320.481 1.977 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186889767 292206101 /nfs/dbraw/zinc/20/61/01/292206101.db2.gz ZRZZBVVAYOUAEI-INIZCTEOSA-N 2 1 304.438 1.448 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158478395 408341747 /nfs/dbraw/zinc/34/17/47/408341747.db2.gz MUVVMCNJEPETNC-GOEBONIOSA-N 2 1 303.454 1.784 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1C#N ZINC000191357968 408413650 /nfs/dbraw/zinc/41/36/50/408413650.db2.gz NXSUWWDKZVHLBD-QZTJIDSGSA-N 2 1 316.449 1.754 20 30 DDEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000161651318 408622546 /nfs/dbraw/zinc/62/25/46/408622546.db2.gz FSWRCWBVAHZKIO-YOEHRIQHSA-N 2 1 313.449 1.994 20 30 DDEDMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000161651318 408622550 /nfs/dbraw/zinc/62/25/50/408622550.db2.gz FSWRCWBVAHZKIO-YOEHRIQHSA-N 2 1 313.449 1.994 20 30 DDEDMP CCCc1nc(C)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)o1 ZINC000291966479 408954298 /nfs/dbraw/zinc/95/42/98/408954298.db2.gz SHYPGIMESIXZSB-UHFFFAOYSA-N 2 1 323.441 1.062 20 30 DDEDMP C=C(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000287322486 409019051 /nfs/dbraw/zinc/01/90/51/409019051.db2.gz VISKGQVBKHOFIW-UHFFFAOYSA-N 2 1 302.422 1.326 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000295082333 409316446 /nfs/dbraw/zinc/31/64/46/409316446.db2.gz TZPZKQVAGQAXHH-UHFFFAOYSA-N 2 1 300.450 1.591 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000295082333 409316449 /nfs/dbraw/zinc/31/64/49/409316449.db2.gz TZPZKQVAGQAXHH-UHFFFAOYSA-N 2 1 300.450 1.591 20 30 DDEDMP CC(C)CCC[C@H](C)NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303899048 409554500 /nfs/dbraw/zinc/55/45/00/409554500.db2.gz VXKIYHWJTNKBNS-INIZCTEOSA-N 2 1 311.518 1.743 20 30 DDEDMP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329735343 410427713 /nfs/dbraw/zinc/42/77/13/410427713.db2.gz KWTPGKVUHYTTNA-ZDUSSCGKSA-N 2 1 305.426 1.597 20 30 DDEDMP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000329735343 410427719 /nfs/dbraw/zinc/42/77/19/410427719.db2.gz KWTPGKVUHYTTNA-ZDUSSCGKSA-N 2 1 305.426 1.597 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262469307 222281638 /nfs/dbraw/zinc/28/16/38/222281638.db2.gz OMCFEDCJKHKARW-UHFFFAOYSA-N 2 1 316.405 1.836 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)Nc1ccc2c(c1)OCCCO2 ZINC000262469307 222281641 /nfs/dbraw/zinc/28/16/41/222281641.db2.gz OMCFEDCJKHKARW-UHFFFAOYSA-N 2 1 316.405 1.836 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N(C)C ZINC000264106059 222318753 /nfs/dbraw/zinc/31/87/53/222318753.db2.gz NSQVGACEZQPTRS-KBPBESRZSA-N 2 1 307.442 1.271 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)c1ccccc1 ZINC000267421356 222385936 /nfs/dbraw/zinc/38/59/36/222385936.db2.gz KTJGAUKWCATMIA-HZPDHXFCSA-N 2 1 304.438 1.151 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000364251649 418774468 /nfs/dbraw/zinc/77/44/68/418774468.db2.gz LBGZLFRMOUHWQS-ZFWWWQNUSA-N 2 1 304.442 1.493 20 30 DDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424143066 228235150 /nfs/dbraw/zinc/23/51/50/228235150.db2.gz JKBKOJRJMPLHHZ-GDBMZVCRSA-N 2 1 302.422 1.644 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491308080 421196367 /nfs/dbraw/zinc/19/63/67/421196367.db2.gz SKNKMPTWQZYNGK-IXDOHACOSA-N 2 1 323.481 1.192 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491308080 421196373 /nfs/dbraw/zinc/19/63/73/421196373.db2.gz SKNKMPTWQZYNGK-IXDOHACOSA-N 2 1 323.481 1.192 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491308080 421196375 /nfs/dbraw/zinc/19/63/75/421196375.db2.gz SKNKMPTWQZYNGK-IXDOHACOSA-N 2 1 323.481 1.192 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000491308080 421196377 /nfs/dbraw/zinc/19/63/77/421196377.db2.gz SKNKMPTWQZYNGK-IXDOHACOSA-N 2 1 323.481 1.192 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527768942 421440762 /nfs/dbraw/zinc/44/07/62/421440762.db2.gz UICHHPMPICRGCC-KRWDZBQOSA-N 2 1 320.481 1.953 20 30 DDEDMP C=CCOCCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000654990793 424092513 /nfs/dbraw/zinc/09/25/13/424092513.db2.gz RMYBEESUIRBQTL-UHFFFAOYSA-N 2 1 323.481 1.502 20 30 DDEDMP CC[NH+]=C(NCc1nccs1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158422772 278169020 /nfs/dbraw/zinc/16/90/20/278169020.db2.gz HSWIBUKDSKVZFO-QWHCGFSZSA-N 2 1 309.483 1.927 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCCC#N ZINC000341124237 279302330 /nfs/dbraw/zinc/30/23/30/279302330.db2.gz MTKIGZGMNZJEDX-MRXNPFEDSA-N 2 1 323.485 1.738 20 30 DDEDMP C#CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491818877 526977205 /nfs/dbraw/zinc/97/72/05/526977205.db2.gz RHAFJAKEAQTHKV-KRWDZBQOSA-N 2 1 305.466 1.714 20 30 DDEDMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000329920869 528195798 /nfs/dbraw/zinc/19/57/98/528195798.db2.gz SKGBOKNOMIFZIM-AWEZNQCLSA-N 2 1 319.453 1.824 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980239299 696716200 /nfs/dbraw/zinc/71/62/00/696716200.db2.gz MUNPUKYCUOYRSR-BBWFWOEESA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389251 695238019 /nfs/dbraw/zinc/23/80/19/695238019.db2.gz JGHZIFBRQAZWQZ-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389251 695238020 /nfs/dbraw/zinc/23/80/20/695238020.db2.gz JGHZIFBRQAZWQZ-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389251 695238022 /nfs/dbraw/zinc/23/80/22/695238022.db2.gz JGHZIFBRQAZWQZ-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389251 695238023 /nfs/dbraw/zinc/23/80/23/695238023.db2.gz JGHZIFBRQAZWQZ-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972408190 695241941 /nfs/dbraw/zinc/24/19/41/695241941.db2.gz JFBYSWAVNIZDIQ-AEFFLSMTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972408190 695241942 /nfs/dbraw/zinc/24/19/42/695241942.db2.gz JFBYSWAVNIZDIQ-AEFFLSMTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522026 695272044 /nfs/dbraw/zinc/27/20/44/695272044.db2.gz FFNZCEKBMGNKRN-MRXNPFEDSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972700314 695318922 /nfs/dbraw/zinc/31/89/22/695318922.db2.gz GUWFFRUSPCYRSR-KRWDZBQOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974674689 695709685 /nfs/dbraw/zinc/70/96/85/695709685.db2.gz ROZYNZVYALSMRQ-CABCVRRESA-N 2 1 314.433 1.610 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974674689 695709686 /nfs/dbraw/zinc/70/96/86/695709686.db2.gz ROZYNZVYALSMRQ-CABCVRRESA-N 2 1 314.433 1.610 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975099599 695794420 /nfs/dbraw/zinc/79/44/20/695794420.db2.gz GUIUTVSGUQEXMS-OAHLLOKOSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975099599 695794421 /nfs/dbraw/zinc/79/44/21/695794421.db2.gz GUIUTVSGUQEXMS-OAHLLOKOSA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000977616694 696235886 /nfs/dbraw/zinc/23/58/86/696235886.db2.gz OSTMBYSTMYPUQL-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977616694 696235888 /nfs/dbraw/zinc/23/58/88/696235888.db2.gz OSTMBYSTMYPUQL-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977616694 696235889 /nfs/dbraw/zinc/23/58/89/696235889.db2.gz OSTMBYSTMYPUQL-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977616694 696235892 /nfs/dbraw/zinc/23/58/92/696235892.db2.gz OSTMBYSTMYPUQL-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978978075 696482221 /nfs/dbraw/zinc/48/22/21/696482221.db2.gz UIAOKLYAPIEZNL-MKZZRHPPSA-N 2 1 314.433 1.631 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(C)C)C[C@H]32)CC1 ZINC000979093703 696494237 /nfs/dbraw/zinc/49/42/37/696494237.db2.gz XGTHUAMVMNWOFS-NNZMDNLPSA-N 2 1 317.477 1.282 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893306 696958976 /nfs/dbraw/zinc/95/89/76/696958976.db2.gz CDNQJIGMRHNSGI-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893306 696958979 /nfs/dbraw/zinc/95/89/79/696958979.db2.gz CDNQJIGMRHNSGI-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957706 696984258 /nfs/dbraw/zinc/98/42/58/696984258.db2.gz RKFSJLFCDUUGQO-SFHVURJKSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957706 696984261 /nfs/dbraw/zinc/98/42/61/696984261.db2.gz RKFSJLFCDUUGQO-SFHVURJKSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957706 696984262 /nfs/dbraw/zinc/98/42/62/696984262.db2.gz RKFSJLFCDUUGQO-SFHVURJKSA-N 2 1 323.456 1.757 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982012067 697002381 /nfs/dbraw/zinc/00/23/81/697002381.db2.gz NOVZAAXOONJNCQ-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000982012067 697002384 /nfs/dbraw/zinc/00/23/84/697002384.db2.gz NOVZAAXOONJNCQ-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000982012067 697002386 /nfs/dbraw/zinc/00/23/86/697002386.db2.gz NOVZAAXOONJNCQ-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185357 697028708 /nfs/dbraw/zinc/02/87/08/697028708.db2.gz UMKYTQKIOURXEF-CHWSQXEVSA-N 2 1 306.410 1.553 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982150621 697043197 /nfs/dbraw/zinc/04/31/97/697043197.db2.gz MRVNDNBSGONBSN-UHFFFAOYSA-N 2 1 311.857 1.759 20 30 DDEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982150621 697043199 /nfs/dbraw/zinc/04/31/99/697043199.db2.gz MRVNDNBSGONBSN-UHFFFAOYSA-N 2 1 311.857 1.759 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000981423580 697093752 /nfs/dbraw/zinc/09/37/52/697093752.db2.gz KFLDWSJSGDNXMM-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982618500 697159538 /nfs/dbraw/zinc/15/95/38/697159538.db2.gz WDRBYOUUSQSBSJ-KDURUIRLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCCCNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000173324237 697376767 /nfs/dbraw/zinc/37/67/67/697376767.db2.gz KVKNOZYSNOYQPD-MRXNPFEDSA-N 2 1 308.470 1.457 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000303260508 698603971 /nfs/dbraw/zinc/60/39/71/698603971.db2.gz NJDOLYORMGOBDC-INIZCTEOSA-N 2 1 302.422 1.922 20 30 DDEDMP Cc1cccc(OCCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000303791569 698607762 /nfs/dbraw/zinc/60/77/62/698607762.db2.gz XRKPLIBAJNBDDI-UHFFFAOYSA-N 2 1 320.437 1.000 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303890833 698609747 /nfs/dbraw/zinc/60/97/47/698609747.db2.gz QFCFHXRLLRZXPI-HOTGVXAUSA-N 3 1 309.502 1.495 20 30 DDEDMP CC(C)[N@@H+](C)CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000303976004 698611854 /nfs/dbraw/zinc/61/18/54/698611854.db2.gz JPYWAPBTFLLUCH-UHFFFAOYSA-N 2 1 306.410 1.915 20 30 DDEDMP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000304071958 698614860 /nfs/dbraw/zinc/61/48/60/698614860.db2.gz VSJXJECXSGQWLL-GDBMZVCRSA-N 2 1 304.438 1.590 20 30 DDEDMP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000304071958 698614862 /nfs/dbraw/zinc/61/48/62/698614862.db2.gz VSJXJECXSGQWLL-GDBMZVCRSA-N 2 1 304.438 1.590 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990638345 699117438 /nfs/dbraw/zinc/11/74/38/699117438.db2.gz MFKNIMUSTGKPNG-XYJFISCASA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990638345 699117441 /nfs/dbraw/zinc/11/74/41/699117441.db2.gz MFKNIMUSTGKPNG-XYJFISCASA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990638345 699117444 /nfs/dbraw/zinc/11/74/44/699117444.db2.gz MFKNIMUSTGKPNG-XYJFISCASA-N 2 1 303.450 1.606 20 30 DDEDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000817708641 702457566 /nfs/dbraw/zinc/45/75/66/702457566.db2.gz ADOYOGXLSZLFBD-UHFFFAOYSA-N 2 1 304.413 1.815 20 30 DDEDMP C[N@H+](CCc1cccc(C#N)c1)CC(=O)NC1CC[NH+](C)CC1 ZINC000879432152 706678312 /nfs/dbraw/zinc/67/83/12/706678312.db2.gz DIFKOMFJFDAMLI-UHFFFAOYSA-N 2 1 314.433 1.243 20 30 DDEDMP C[N@@H+](CCc1cccc(C#N)c1)CC(=O)NC1CC[NH+](C)CC1 ZINC000879432152 706678315 /nfs/dbraw/zinc/67/83/15/706678315.db2.gz DIFKOMFJFDAMLI-UHFFFAOYSA-N 2 1 314.433 1.243 20 30 DDEDMP C#CC[C@H]1CCC[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000842628264 702745585 /nfs/dbraw/zinc/74/55/85/702745585.db2.gz ABZSODMTGAFBAC-YJBOKZPZSA-N 2 1 317.433 1.596 20 30 DDEDMP C#CC[C@H]1CCC[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000842628264 702745588 /nfs/dbraw/zinc/74/55/88/702745588.db2.gz ABZSODMTGAFBAC-YJBOKZPZSA-N 2 1 317.433 1.596 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858501 704150314 /nfs/dbraw/zinc/15/03/14/704150314.db2.gz BNYSIWDTENJVDR-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#C[C@@H](CCC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000820640721 704313905 /nfs/dbraw/zinc/31/39/05/704313905.db2.gz PWYHEPQONIJOFZ-IRXDYDNUSA-N 2 1 322.497 1.846 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C(C)C ZINC000876748918 705855610 /nfs/dbraw/zinc/85/56/10/705855610.db2.gz JDIBHNBIBVZULJ-KRWDZBQOSA-N 2 1 314.433 1.592 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000876755237 705859132 /nfs/dbraw/zinc/85/91/32/705859132.db2.gz UDRXZYHZESJYID-FUHWJXTLSA-N 2 1 324.428 1.346 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000876755237 705859137 /nfs/dbraw/zinc/85/91/37/705859137.db2.gz UDRXZYHZESJYID-FUHWJXTLSA-N 2 1 324.428 1.346 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CCO2 ZINC000830642753 706552044 /nfs/dbraw/zinc/55/20/44/706552044.db2.gz SNZWYLIPCLQXMC-QGZVFWFLSA-N 2 1 315.417 1.388 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CCO2 ZINC000830642753 706552048 /nfs/dbraw/zinc/55/20/48/706552048.db2.gz SNZWYLIPCLQXMC-QGZVFWFLSA-N 2 1 315.417 1.388 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000881634405 707311437 /nfs/dbraw/zinc/31/14/37/707311437.db2.gz BAENTUQBEWVESW-WBVHZDCISA-N 2 1 312.417 1.216 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000881634405 707311441 /nfs/dbraw/zinc/31/14/41/707311441.db2.gz BAENTUQBEWVESW-WBVHZDCISA-N 2 1 312.417 1.216 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000884233210 708202725 /nfs/dbraw/zinc/20/27/25/708202725.db2.gz LSZXTVGKJBJJEM-OWCLPIDISA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000884233210 708202726 /nfs/dbraw/zinc/20/27/26/708202726.db2.gz LSZXTVGKJBJJEM-OWCLPIDISA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000884377583 708270141 /nfs/dbraw/zinc/27/01/41/708270141.db2.gz OQUFGFHIBDQZSX-UHFFFAOYSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000888794965 709382515 /nfs/dbraw/zinc/38/25/15/709382515.db2.gz BSLNGVVXSPSDEQ-IAGOWNOFSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000888794965 709382517 /nfs/dbraw/zinc/38/25/17/709382517.db2.gz BSLNGVVXSPSDEQ-IAGOWNOFSA-N 2 1 320.481 1.648 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900378946 709564243 /nfs/dbraw/zinc/56/42/43/709564243.db2.gz YWYLULMDLBXXSQ-HZPDHXFCSA-N 2 1 306.454 1.697 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000911548540 710847487 /nfs/dbraw/zinc/84/74/87/710847487.db2.gz LLZWEUPGNORUPM-MSOLQXFVSA-N 2 1 315.461 1.956 20 30 DDEDMP N#Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903505647 711156149 /nfs/dbraw/zinc/15/61/49/711156149.db2.gz GNFFPDRQVRGVRD-KDURUIRLSA-N 2 1 310.445 1.959 20 30 DDEDMP N#CC1CCC(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)CC1 ZINC000905815880 712154865 /nfs/dbraw/zinc/15/48/65/712154865.db2.gz MAIYUWNKRSGKFZ-UHFFFAOYSA-N 2 1 316.453 1.574 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000963833245 717920272 /nfs/dbraw/zinc/92/02/72/717920272.db2.gz OETIJYUNTVCLSY-OFLPRAFFSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000963833245 717920275 /nfs/dbraw/zinc/92/02/75/717920275.db2.gz OETIJYUNTVCLSY-OFLPRAFFSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000921382837 713750478 /nfs/dbraw/zinc/75/04/78/713750478.db2.gz KRXUIVPKPHUROO-DZGCQCFKSA-N 2 1 304.438 1.008 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366223 714329246 /nfs/dbraw/zinc/32/92/46/714329246.db2.gz IFCQMCWGWHXKPZ-FUHWJXTLSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366223 714329248 /nfs/dbraw/zinc/32/92/48/714329248.db2.gz IFCQMCWGWHXKPZ-FUHWJXTLSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926489283 715075834 /nfs/dbraw/zinc/07/58/34/715075834.db2.gz GAKSMNGNQZTWGB-AEFFLSMTSA-N 2 1 302.466 1.984 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1Cc1cc(C)nn1C ZINC000926489283 715075838 /nfs/dbraw/zinc/07/58/38/715075838.db2.gz GAKSMNGNQZTWGB-AEFFLSMTSA-N 2 1 302.466 1.984 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960721979 716668591 /nfs/dbraw/zinc/66/85/91/716668591.db2.gz LDXANUAGSKRPDN-TWMKSMIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960721979 716668592 /nfs/dbraw/zinc/66/85/92/716668592.db2.gz LDXANUAGSKRPDN-TWMKSMIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960721979 716668595 /nfs/dbraw/zinc/66/85/95/716668595.db2.gz LDXANUAGSKRPDN-TWMKSMIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202205 716860236 /nfs/dbraw/zinc/86/02/36/716860236.db2.gz UHMRWHBVXYWNFY-IRXDYDNUSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202205 716860240 /nfs/dbraw/zinc/86/02/40/716860240.db2.gz UHMRWHBVXYWNFY-IRXDYDNUSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961376069 716926049 /nfs/dbraw/zinc/92/60/49/716926049.db2.gz CDFUKLHPRMNYHS-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027451 717078789 /nfs/dbraw/zinc/07/87/89/717078789.db2.gz FVNYWQYYBMAZHK-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027451 717078791 /nfs/dbraw/zinc/07/87/91/717078791.db2.gz FVNYWQYYBMAZHK-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027451 717078793 /nfs/dbraw/zinc/07/87/93/717078793.db2.gz FVNYWQYYBMAZHK-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC000964670096 717370565 /nfs/dbraw/zinc/37/05/65/717370565.db2.gz QBZVZZXQXKMDQF-LMBQMVEXSA-N 2 1 321.465 1.299 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000964670096 717370567 /nfs/dbraw/zinc/37/05/67/717370567.db2.gz QBZVZZXQXKMDQF-LMBQMVEXSA-N 2 1 321.465 1.299 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416558 717782121 /nfs/dbraw/zinc/78/21/21/717782121.db2.gz LXYSHHNBZLILEN-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000967925878 719090433 /nfs/dbraw/zinc/09/04/33/719090433.db2.gz TXLVQCPJIIUENZ-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947438523 719163584 /nfs/dbraw/zinc/16/35/84/719163584.db2.gz XDYFPLHOPJLPQB-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947472611 719176861 /nfs/dbraw/zinc/17/68/61/719176861.db2.gz HXSMAOUHZRARSD-KBPBESRZSA-N 2 1 320.437 1.895 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947472611 719176862 /nfs/dbraw/zinc/17/68/62/719176862.db2.gz HXSMAOUHZRARSD-KBPBESRZSA-N 2 1 320.437 1.895 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947505892 719190915 /nfs/dbraw/zinc/19/09/15/719190915.db2.gz GJGLWMQKXQRNGE-GOEBONIOSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947537858 719202635 /nfs/dbraw/zinc/20/26/35/719202635.db2.gz RHBKMALDHRMAFM-GJZGRUSLSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434367 719497418 /nfs/dbraw/zinc/49/74/18/719497418.db2.gz BPZFPQRVNDELSI-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434367 719497420 /nfs/dbraw/zinc/49/74/20/719497420.db2.gz BPZFPQRVNDELSI-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434367 719497423 /nfs/dbraw/zinc/49/74/23/719497423.db2.gz BPZFPQRVNDELSI-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC000949189456 719949669 /nfs/dbraw/zinc/94/96/69/719949669.db2.gz VXNBOZOYXHTEFX-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970325588 720710720 /nfs/dbraw/zinc/71/07/20/720710720.db2.gz HUETVWKBFAXWBK-GDBMZVCRSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970325588 720710724 /nfs/dbraw/zinc/71/07/24/720710724.db2.gz HUETVWKBFAXWBK-GDBMZVCRSA-N 2 1 309.454 1.108 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023762184 735450929 /nfs/dbraw/zinc/45/09/29/735450929.db2.gz SPTFBOSIVGNMEM-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023762184 735450931 /nfs/dbraw/zinc/45/09/31/735450931.db2.gz SPTFBOSIVGNMEM-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001026549152 737651743 /nfs/dbraw/zinc/65/17/43/737651743.db2.gz AIIRUUDATWMEHO-OFLPRAFFSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001026549152 737651744 /nfs/dbraw/zinc/65/17/44/737651744.db2.gz AIIRUUDATWMEHO-OFLPRAFFSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236257 732851724 /nfs/dbraw/zinc/85/17/24/732851724.db2.gz ISVCSCZRVHJVQK-TZMCWYRMSA-N 2 1 313.873 1.813 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529708 738657006 /nfs/dbraw/zinc/65/70/06/738657006.db2.gz LPNOMGLCAHVPEB-BQFCYCMXSA-N 2 1 305.466 1.733 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001021048221 732914508 /nfs/dbraw/zinc/91/45/08/732914508.db2.gz VPPOWCLJSMYXII-JHJVBQTASA-N 2 1 318.446 1.308 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC=C ZINC001021285789 733107871 /nfs/dbraw/zinc/10/78/71/733107871.db2.gz RURLOIKKSOKTTO-FBVQUNGASA-N 2 1 315.461 1.772 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC=C ZINC001021285789 733107873 /nfs/dbraw/zinc/10/78/73/733107873.db2.gz RURLOIKKSOKTTO-FBVQUNGASA-N 2 1 315.461 1.772 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC=C ZINC001021285789 733107875 /nfs/dbraw/zinc/10/78/75/733107875.db2.gz RURLOIKKSOKTTO-FBVQUNGASA-N 2 1 315.461 1.772 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC=C ZINC001021285789 733107878 /nfs/dbraw/zinc/10/78/78/733107878.db2.gz RURLOIKKSOKTTO-FBVQUNGASA-N 2 1 315.461 1.772 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167815046 738860732 /nfs/dbraw/zinc/86/07/32/738860732.db2.gz MRPILYXHSNCTHP-UHFFFAOYSA-N 2 1 301.862 1.957 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001023447858 735244013 /nfs/dbraw/zinc/24/40/13/735244013.db2.gz YUJCFQRQUXZQIN-GJZGRUSLSA-N 2 1 302.422 1.460 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457632 735248709 /nfs/dbraw/zinc/24/87/09/735248709.db2.gz VQRAVGPYTJQEPF-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001027976570 738895928 /nfs/dbraw/zinc/89/59/28/738895928.db2.gz DDUNGTHBGLGLAN-HUUCEWRRSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479414 735855962 /nfs/dbraw/zinc/85/59/62/735855962.db2.gz HFPQTUNNGQUYMS-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001024479414 735855964 /nfs/dbraw/zinc/85/59/64/735855964.db2.gz HFPQTUNNGQUYMS-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296863 735970572 /nfs/dbraw/zinc/97/05/72/735970572.db2.gz HJFQLHUZXNKLAO-PVAVHDDUSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296863 735970574 /nfs/dbraw/zinc/97/05/74/735970574.db2.gz HJFQLHUZXNKLAO-PVAVHDDUSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025289959 736410136 /nfs/dbraw/zinc/41/01/36/736410136.db2.gz VXJXINMRVWNKTI-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469464 736706686 /nfs/dbraw/zinc/70/66/86/736706686.db2.gz PIJFDMWXXXYJDV-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586385 736770994 /nfs/dbraw/zinc/77/09/94/736770994.db2.gz YERRYLHTBJMMCV-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001025630084 736796226 /nfs/dbraw/zinc/79/62/26/736796226.db2.gz OUQKOWVUKKMKHH-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC001025630753 736797538 /nfs/dbraw/zinc/79/75/38/736797538.db2.gz VMOBUBIKZBIDHZ-RDJZCZTQSA-N 2 1 323.456 1.518 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001027979618 738901204 /nfs/dbraw/zinc/90/12/04/738901204.db2.gz FNPYEFGYSBMUQI-LSDHHAIUSA-N 2 1 316.449 1.980 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088925 739016314 /nfs/dbraw/zinc/01/63/14/739016314.db2.gz RFRGYQAEOXLDLI-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088925 739016317 /nfs/dbraw/zinc/01/63/17/739016317.db2.gz RFRGYQAEOXLDLI-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088925 739016319 /nfs/dbraw/zinc/01/63/19/739016319.db2.gz RFRGYQAEOXLDLI-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093101 739023925 /nfs/dbraw/zinc/02/39/25/739023925.db2.gz HNILBCMFMSDOOT-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028625264 739800084 /nfs/dbraw/zinc/80/00/84/739800084.db2.gz PDDUIPNTSDGIAG-INIZCTEOSA-N 2 1 303.450 1.324 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629464 739805506 /nfs/dbraw/zinc/80/55/06/739805506.db2.gz MVTQQEXOWWGDOB-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629464 739805511 /nfs/dbraw/zinc/80/55/11/739805511.db2.gz MVTQQEXOWWGDOB-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629464 739805515 /nfs/dbraw/zinc/80/55/15/739805515.db2.gz MVTQQEXOWWGDOB-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629464 739805520 /nfs/dbraw/zinc/80/55/20/739805520.db2.gz MVTQQEXOWWGDOB-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028754657 739995966 /nfs/dbraw/zinc/99/59/66/739995966.db2.gz JBNPJFGYPOEJNB-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028754657 739995968 /nfs/dbraw/zinc/99/59/68/739995968.db2.gz JBNPJFGYPOEJNB-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028754657 739995970 /nfs/dbraw/zinc/99/59/70/739995970.db2.gz JBNPJFGYPOEJNB-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001028903348 740158260 /nfs/dbraw/zinc/15/82/60/740158260.db2.gz RSHPPXCHFRQSQG-INIZCTEOSA-N 2 1 322.412 1.947 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001028903349 740158441 /nfs/dbraw/zinc/15/84/41/740158441.db2.gz RSHPPXCHFRQSQG-MRXNPFEDSA-N 2 1 322.412 1.947 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029001127 740245954 /nfs/dbraw/zinc/24/59/54/740245954.db2.gz PMKHEGKSDADRIP-MRXNPFEDSA-N 2 1 301.434 1.986 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799923 740554740 /nfs/dbraw/zinc/55/47/40/740554740.db2.gz OFOZKQLFBMVFCM-ARFHVFGLSA-N 2 1 323.868 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799923 740554742 /nfs/dbraw/zinc/55/47/42/740554742.db2.gz OFOZKQLFBMVFCM-ARFHVFGLSA-N 2 1 323.868 1.613 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998192597 751581189 /nfs/dbraw/zinc/58/11/89/751581189.db2.gz WNIOVFRDIXAWQK-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998192597 751581192 /nfs/dbraw/zinc/58/11/92/751581192.db2.gz WNIOVFRDIXAWQK-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998192597 751581197 /nfs/dbraw/zinc/58/11/97/751581197.db2.gz WNIOVFRDIXAWQK-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998192597 751581202 /nfs/dbraw/zinc/58/12/02/751581202.db2.gz WNIOVFRDIXAWQK-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986637 740926515 /nfs/dbraw/zinc/92/65/15/740926515.db2.gz UXAHTYMBYLUAFV-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986637 740926518 /nfs/dbraw/zinc/92/65/18/740926518.db2.gz UXAHTYMBYLUAFV-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986637 740926522 /nfs/dbraw/zinc/92/65/22/740926522.db2.gz UXAHTYMBYLUAFV-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088041883 740964021 /nfs/dbraw/zinc/96/40/21/740964021.db2.gz NTNGNIIJVRWADQ-WBVHZDCISA-N 2 1 322.412 1.752 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172105 741093357 /nfs/dbraw/zinc/09/33/57/741093357.db2.gz WGMUCUHARMUODA-CABCVRRESA-N 2 1 323.868 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172105 741093361 /nfs/dbraw/zinc/09/33/61/741093361.db2.gz WGMUCUHARMUODA-CABCVRRESA-N 2 1 323.868 1.615 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035569796 751623573 /nfs/dbraw/zinc/62/35/73/751623573.db2.gz PETLCINEJPHXAZ-QGZVFWFLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035569796 751623585 /nfs/dbraw/zinc/62/35/85/751623585.db2.gz PETLCINEJPHXAZ-QGZVFWFLSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088329525 741392716 /nfs/dbraw/zinc/39/27/16/741392716.db2.gz ZZPNQSZPCQFDJK-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001088329525 741392720 /nfs/dbraw/zinc/39/27/20/741392720.db2.gz ZZPNQSZPCQFDJK-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368974 741437848 /nfs/dbraw/zinc/43/78/48/741437848.db2.gz XRWFCVQZRPZQEO-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368974 741437850 /nfs/dbraw/zinc/43/78/50/741437850.db2.gz XRWFCVQZRPZQEO-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007745102 752307701 /nfs/dbraw/zinc/30/77/01/752307701.db2.gz KMGZRZHCYPKSEC-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622202 742020479 /nfs/dbraw/zinc/02/04/79/742020479.db2.gz LQOMUAHPGOKYPY-PVAVHDDUSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622202 742020484 /nfs/dbraw/zinc/02/04/84/742020484.db2.gz LQOMUAHPGOKYPY-PVAVHDDUSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622202 742020487 /nfs/dbraw/zinc/02/04/87/742020487.db2.gz LQOMUAHPGOKYPY-PVAVHDDUSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622202 742020491 /nfs/dbraw/zinc/02/04/91/742020491.db2.gz LQOMUAHPGOKYPY-PVAVHDDUSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001077081914 743228310 /nfs/dbraw/zinc/22/83/10/743228310.db2.gz QOZWRHQQRDGYDZ-ZIAGYGMSSA-N 2 1 323.462 1.161 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623331 743674363 /nfs/dbraw/zinc/67/43/63/743674363.db2.gz ICIVXGHGRHLATR-CRAIPNDOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183267854 743812618 /nfs/dbraw/zinc/81/26/18/743812618.db2.gz OTCQIPOWGJFNEK-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185761034 744282185 /nfs/dbraw/zinc/28/21/85/744282185.db2.gz FSCIYHUVWXHUMI-DLBZAZTESA-N 2 1 323.481 1.051 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](CCC)CCC ZINC001115111441 744709251 /nfs/dbraw/zinc/70/92/51/744709251.db2.gz QAOJBZAWOUGVAJ-VQFNDLOPSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001190725814 745307795 /nfs/dbraw/zinc/30/77/95/745307795.db2.gz RYADKHHMVZDLCM-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCCF)C1 ZINC001190725814 745307800 /nfs/dbraw/zinc/30/78/00/745307800.db2.gz RYADKHHMVZDLCM-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001190725814 745307803 /nfs/dbraw/zinc/30/78/03/745307803.db2.gz RYADKHHMVZDLCM-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCCF)C1 ZINC001190725814 745307807 /nfs/dbraw/zinc/30/78/07/745307807.db2.gz RYADKHHMVZDLCM-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCCF)C1 ZINC001190725814 745307813 /nfs/dbraw/zinc/30/78/13/745307813.db2.gz RYADKHHMVZDLCM-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744555 745315702 /nfs/dbraw/zinc/31/57/02/745315702.db2.gz RPWOVIRZLVKOAF-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190744555 745315708 /nfs/dbraw/zinc/31/57/08/745315708.db2.gz RPWOVIRZLVKOAF-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190744555 745315715 /nfs/dbraw/zinc/31/57/15/745315715.db2.gz RPWOVIRZLVKOAF-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775170 745326559 /nfs/dbraw/zinc/32/65/59/745326559.db2.gz CNNLZTYNIIHECF-HOTGVXAUSA-N 2 1 311.470 1.308 20 30 DDEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069589 745417387 /nfs/dbraw/zinc/41/73/87/745417387.db2.gz IKLYXEMHFCTWNE-AWEZNQCLSA-N 2 1 320.437 1.849 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069589 745417389 /nfs/dbraw/zinc/41/73/89/745417389.db2.gz IKLYXEMHFCTWNE-AWEZNQCLSA-N 2 1 320.437 1.849 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001106266675 745495109 /nfs/dbraw/zinc/49/51/09/745495109.db2.gz XFUUWWCDEWSZIO-KBVIYHELSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C/C=C\Cl)[C@H](C)C1 ZINC001106266675 745495114 /nfs/dbraw/zinc/49/51/14/745495114.db2.gz XFUUWWCDEWSZIO-KBVIYHELSA-N 2 1 323.868 1.521 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355897 745765778 /nfs/dbraw/zinc/76/57/78/745765778.db2.gz VFSXSLMWVXLQOE-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355897 745765783 /nfs/dbraw/zinc/76/57/83/745765783.db2.gz VFSXSLMWVXLQOE-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001099240629 745845756 /nfs/dbraw/zinc/84/57/56/745845756.db2.gz UDRYEYSZLHNWIA-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001099240629 745845767 /nfs/dbraw/zinc/84/57/67/745845767.db2.gz UDRYEYSZLHNWIA-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192654653 745847081 /nfs/dbraw/zinc/84/70/81/745847081.db2.gz HGBKDFCPUVRRFQ-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001106859192 746497572 /nfs/dbraw/zinc/49/75/72/746497572.db2.gz YEWZKTAOCUCMKN-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001003147174 747013199 /nfs/dbraw/zinc/01/31/99/747013199.db2.gz VVMNJWFQQPWQIC-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616521 747470571 /nfs/dbraw/zinc/47/05/71/747470571.db2.gz JHLGJFAYWLOFOQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616521 747470575 /nfs/dbraw/zinc/47/05/75/747470575.db2.gz JHLGJFAYWLOFOQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001089616521 747470580 /nfs/dbraw/zinc/47/05/80/747470580.db2.gz JHLGJFAYWLOFOQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001089731323 747710132 /nfs/dbraw/zinc/71/01/32/747710132.db2.gz CZIIPGKEFBNMHK-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001089731323 747710135 /nfs/dbraw/zinc/71/01/35/747710135.db2.gz CZIIPGKEFBNMHK-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001089731323 747710139 /nfs/dbraw/zinc/71/01/39/747710139.db2.gz CZIIPGKEFBNMHK-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119496 747719703 /nfs/dbraw/zinc/71/97/03/747719703.db2.gz HIZSLPMXNGTIEC-BRWVUGGUSA-N 2 1 317.433 1.027 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119496 747719709 /nfs/dbraw/zinc/71/97/09/747719709.db2.gz HIZSLPMXNGTIEC-BRWVUGGUSA-N 2 1 317.433 1.027 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033097379 748252168 /nfs/dbraw/zinc/25/21/68/748252168.db2.gz SEMRQXQWULRESM-MRXNPFEDSA-N 2 1 316.449 1.871 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004367177 748367930 /nfs/dbraw/zinc/36/79/30/748367930.db2.gz BZNKGXSYCKBKHK-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001201700844 748578383 /nfs/dbraw/zinc/57/83/83/748578383.db2.gz FRKLWJCBFOERSW-BFHRDPOASA-N 2 1 319.449 1.006 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617029 748593298 /nfs/dbraw/zinc/59/32/98/748593298.db2.gz NRGVSYFEDDLKRO-GOSISDBHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864403 748614744 /nfs/dbraw/zinc/61/47/44/748614744.db2.gz WJXVUTDUDQKULM-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202197130 748709694 /nfs/dbraw/zinc/70/96/94/748709694.db2.gz NPHLOEHDJMQAGV-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202504615 749012156 /nfs/dbraw/zinc/01/21/56/749012156.db2.gz UXGHMKNLQXCIEA-SFHVURJKSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202504702 749013260 /nfs/dbraw/zinc/01/32/60/749013260.db2.gz VRZHDJGGGNGYRY-GOSISDBHSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114422181 749188122 /nfs/dbraw/zinc/18/81/22/749188122.db2.gz WCVBHHMAXRFVAB-XWTMOSNGSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114422181 749188126 /nfs/dbraw/zinc/18/81/26/749188126.db2.gz WCVBHHMAXRFVAB-XWTMOSNGSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)C)C[C@H]21 ZINC001114422181 749188130 /nfs/dbraw/zinc/18/81/30/749188130.db2.gz WCVBHHMAXRFVAB-XWTMOSNGSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCC(C)C)C[C@H]21 ZINC001114422181 749188135 /nfs/dbraw/zinc/18/81/35/749188135.db2.gz WCVBHHMAXRFVAB-XWTMOSNGSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415415 749313690 /nfs/dbraw/zinc/31/36/90/749313690.db2.gz IHEKXLZBWQXEQI-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415415 749313693 /nfs/dbraw/zinc/31/36/93/749313693.db2.gz IHEKXLZBWQXEQI-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415415 749313697 /nfs/dbraw/zinc/31/36/97/749313697.db2.gz IHEKXLZBWQXEQI-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415415 749313700 /nfs/dbraw/zinc/31/37/00/749313700.db2.gz IHEKXLZBWQXEQI-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577244 749553553 /nfs/dbraw/zinc/55/35/53/749553553.db2.gz ZJRJKEFVTHIARE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577244 749553556 /nfs/dbraw/zinc/55/35/56/749553556.db2.gz ZJRJKEFVTHIARE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577244 749553560 /nfs/dbraw/zinc/55/35/60/749553560.db2.gz ZJRJKEFVTHIARE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033577244 749553563 /nfs/dbraw/zinc/55/35/63/749553563.db2.gz ZJRJKEFVTHIARE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001033577244 749553568 /nfs/dbraw/zinc/55/35/68/749553568.db2.gz ZJRJKEFVTHIARE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001095441180 749901008 /nfs/dbraw/zinc/90/10/08/749901008.db2.gz UGDDUAZZQJPUJQ-HMDCTGQHSA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095441180 749901012 /nfs/dbraw/zinc/90/10/12/749901012.db2.gz UGDDUAZZQJPUJQ-HMDCTGQHSA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001095441180 749901019 /nfs/dbraw/zinc/90/10/19/749901019.db2.gz UGDDUAZZQJPUJQ-HMDCTGQHSA-N 2 1 303.450 1.462 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033856201 749995857 /nfs/dbraw/zinc/99/58/57/749995857.db2.gz SAKNJFVPRHHJGI-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033856201 749995861 /nfs/dbraw/zinc/99/58/61/749995861.db2.gz SAKNJFVPRHHJGI-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000996749375 750032582 /nfs/dbraw/zinc/03/25/82/750032582.db2.gz BQSYMCFVSDEKBV-UHFFFAOYSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039415890 762014749 /nfs/dbraw/zinc/01/47/49/762014749.db2.gz ZSBZTOSKPFDNCJ-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609302 750234264 /nfs/dbraw/zinc/23/42/64/750234264.db2.gz MWMJUHHABAJXTB-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609302 750234272 /nfs/dbraw/zinc/23/42/72/750234272.db2.gz MWMJUHHABAJXTB-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609302 750234276 /nfs/dbraw/zinc/23/42/76/750234276.db2.gz MWMJUHHABAJXTB-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437991 750435303 /nfs/dbraw/zinc/43/53/03/750435303.db2.gz JYIVGMFYJZVQGS-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437991 750435304 /nfs/dbraw/zinc/43/53/04/750435304.db2.gz JYIVGMFYJZVQGS-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CN1CCCC1)C2 ZINC001111408380 750622354 /nfs/dbraw/zinc/62/23/54/750622354.db2.gz VTLYXEZJZMVBQE-OAGGEKHMSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408380 750622363 /nfs/dbraw/zinc/62/23/63/750622363.db2.gz VTLYXEZJZMVBQE-OAGGEKHMSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496880 750660797 /nfs/dbraw/zinc/66/07/97/750660797.db2.gz UYBUHLFSMPLQDV-VQFNDLOPSA-N 2 1 314.433 1.530 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108399896 762062587 /nfs/dbraw/zinc/06/25/87/762062587.db2.gz ZNAWHHBKQRVQHL-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108399896 762062593 /nfs/dbraw/zinc/06/25/93/762062593.db2.gz ZNAWHHBKQRVQHL-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035193412 751293380 /nfs/dbraw/zinc/29/33/80/751293380.db2.gz BNIYSTKNRGNEDF-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997870193 751330592 /nfs/dbraw/zinc/33/05/92/751330592.db2.gz IAJQQJSZNVTUEC-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997870193 751330597 /nfs/dbraw/zinc/33/05/97/751330597.db2.gz IAJQQJSZNVTUEC-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007745102 752307692 /nfs/dbraw/zinc/30/76/92/752307692.db2.gz KMGZRZHCYPKSEC-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007745102 752307699 /nfs/dbraw/zinc/30/76/99/752307699.db2.gz KMGZRZHCYPKSEC-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999143985 752557203 /nfs/dbraw/zinc/55/72/03/752557203.db2.gz SAWLHYCDCNAJOM-QFQXCOSMSA-N 2 1 319.449 1.005 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005870949 753285752 /nfs/dbraw/zinc/28/57/52/753285752.db2.gz WSSMOXBAEILGBB-QGZVFWFLSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005870949 753285761 /nfs/dbraw/zinc/28/57/61/753285761.db2.gz WSSMOXBAEILGBB-QGZVFWFLSA-N 2 1 321.465 1.042 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107999146 753427056 /nfs/dbraw/zinc/42/70/56/753427056.db2.gz YLOOQBBWMKCGKT-AEFFLSMTSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430458 753471170 /nfs/dbraw/zinc/47/11/70/753471170.db2.gz OCKBTFZTSYVFSS-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430458 753471173 /nfs/dbraw/zinc/47/11/73/753471173.db2.gz OCKBTFZTSYVFSS-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430458 753471174 /nfs/dbraw/zinc/47/11/74/753471174.db2.gz OCKBTFZTSYVFSS-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001000547311 753802637 /nfs/dbraw/zinc/80/26/37/753802637.db2.gz LSSBEOFYVRHGGY-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001000547311 753802641 /nfs/dbraw/zinc/80/26/41/753802641.db2.gz LSSBEOFYVRHGGY-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000547311 753802649 /nfs/dbraw/zinc/80/26/49/753802649.db2.gz LSSBEOFYVRHGGY-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001000547311 753802656 /nfs/dbraw/zinc/80/26/56/753802656.db2.gz LSSBEOFYVRHGGY-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)N(C)C ZINC001032803306 754116687 /nfs/dbraw/zinc/11/66/87/754116687.db2.gz PZXFFAFBBTYGTG-BZSNNMDCSA-N 2 1 311.429 1.598 20 30 DDEDMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)N(C)C ZINC001032803306 754116691 /nfs/dbraw/zinc/11/66/91/754116691.db2.gz PZXFFAFBBTYGTG-BZSNNMDCSA-N 2 1 311.429 1.598 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080325153 755836432 /nfs/dbraw/zinc/83/64/32/755836432.db2.gz SHSSLHJHQYZSTJ-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080325153 755836438 /nfs/dbraw/zinc/83/64/38/755836438.db2.gz SHSSLHJHQYZSTJ-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325153 755836442 /nfs/dbraw/zinc/83/64/42/755836442.db2.gz SHSSLHJHQYZSTJ-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325153 755836446 /nfs/dbraw/zinc/83/64/46/755836446.db2.gz SHSSLHJHQYZSTJ-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040210280 762439756 /nfs/dbraw/zinc/43/97/56/762439756.db2.gz UUBUUSHLYIFDRR-IEBWSBKVSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040237115 762451879 /nfs/dbraw/zinc/45/18/79/762451879.db2.gz QPVOKKBSTPXEBS-QGZVFWFLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880231 756505580 /nfs/dbraw/zinc/50/55/80/756505580.db2.gz QZKWBZADZBVPDF-HZPDHXFCSA-N 2 1 314.389 1.258 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001081880231 756505585 /nfs/dbraw/zinc/50/55/85/756505585.db2.gz QZKWBZADZBVPDF-HZPDHXFCSA-N 2 1 314.389 1.258 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082198714 756672833 /nfs/dbraw/zinc/67/28/33/756672833.db2.gz JMBIHXOLZWWIAF-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200012 756674165 /nfs/dbraw/zinc/67/41/65/756674165.db2.gz MVJNAJURHHRQIV-IXDOHACOSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001082568052 756854609 /nfs/dbraw/zinc/85/46/09/756854609.db2.gz UUMNODKDKITMSB-YUELXQCFSA-N 2 1 309.841 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=C)Cl)C1 ZINC001082568052 756854615 /nfs/dbraw/zinc/85/46/15/756854615.db2.gz UUMNODKDKITMSB-YUELXQCFSA-N 2 1 309.841 1.273 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001082743336 756909944 /nfs/dbraw/zinc/90/99/44/756909944.db2.gz UQZJDHSNXBDLCZ-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001075304 762526971 /nfs/dbraw/zinc/52/69/71/762526971.db2.gz GFXNICIMRZANSU-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075304 762526976 /nfs/dbraw/zinc/52/69/76/762526976.db2.gz GFXNICIMRZANSU-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075304 762526982 /nfs/dbraw/zinc/52/69/82/762526982.db2.gz GFXNICIMRZANSU-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCC3)C[C@H]21 ZINC001084417732 757539555 /nfs/dbraw/zinc/53/95/55/757539555.db2.gz BAWFIEINPYUFNN-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC3CCC3)C[C@H]21 ZINC001084417732 757539559 /nfs/dbraw/zinc/53/95/59/757539559.db2.gz BAWFIEINPYUFNN-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC3CCC3)C[C@H]21 ZINC001084417732 757539564 /nfs/dbraw/zinc/53/95/64/757539564.db2.gz BAWFIEINPYUFNN-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084417732 757539569 /nfs/dbraw/zinc/53/95/69/757539569.db2.gz BAWFIEINPYUFNN-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406493 757564239 /nfs/dbraw/zinc/56/42/39/757564239.db2.gz QPGFNTPOZQGRFJ-BPQIPLTHSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC001084406493 757564242 /nfs/dbraw/zinc/56/42/42/757564242.db2.gz QPGFNTPOZQGRFJ-BPQIPLTHSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406493 757564244 /nfs/dbraw/zinc/56/42/44/757564244.db2.gz QPGFNTPOZQGRFJ-BPQIPLTHSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC001084406493 757564245 /nfs/dbraw/zinc/56/42/45/757564245.db2.gz QPGFNTPOZQGRFJ-BPQIPLTHSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706524 757670338 /nfs/dbraw/zinc/67/03/38/757670338.db2.gz ULEKAVJXAHWLQE-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706524 757670347 /nfs/dbraw/zinc/67/03/47/757670347.db2.gz ULEKAVJXAHWLQE-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040526952 762577628 /nfs/dbraw/zinc/57/76/28/762577628.db2.gz DDCXOTDUBSLTSR-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040526952 762577634 /nfs/dbraw/zinc/57/76/34/762577634.db2.gz DDCXOTDUBSLTSR-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040526952 762577638 /nfs/dbraw/zinc/57/76/38/762577638.db2.gz DDCXOTDUBSLTSR-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001149948 762593015 /nfs/dbraw/zinc/59/30/15/762593015.db2.gz CMEGYVRIHLLTNG-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001149948 762593022 /nfs/dbraw/zinc/59/30/22/762593022.db2.gz CMEGYVRIHLLTNG-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001149948 762593029 /nfs/dbraw/zinc/59/30/29/762593029.db2.gz CMEGYVRIHLLTNG-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101666 758239031 /nfs/dbraw/zinc/23/90/31/758239031.db2.gz YDNJHDJQNBVZSC-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054144605 759222213 /nfs/dbraw/zinc/22/22/13/759222213.db2.gz ALAQXYOQKMPZKP-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054144729 759222486 /nfs/dbraw/zinc/22/24/86/759222486.db2.gz COGSRUFFAQXQKQ-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054144729 759222492 /nfs/dbraw/zinc/22/24/92/759222492.db2.gz COGSRUFFAQXQKQ-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054144729 759222497 /nfs/dbraw/zinc/22/24/97/759222497.db2.gz COGSRUFFAQXQKQ-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054187643 759272550 /nfs/dbraw/zinc/27/25/50/759272550.db2.gz WNPHOIRXQIXZQI-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001018851994 759335866 /nfs/dbraw/zinc/33/58/66/759335866.db2.gz YSGWXLZZPYVZGG-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866528 760410042 /nfs/dbraw/zinc/41/00/42/760410042.db2.gz KYGKFSYQJKSQCT-INIZCTEOSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC=C(C)C)CC1 ZINC001085986966 760657511 /nfs/dbraw/zinc/65/75/11/760657511.db2.gz QMYVFUIFZHUPAJ-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038897933 761522030 /nfs/dbraw/zinc/52/20/30/761522030.db2.gz YBJAUKGOFDWYEA-QGZVFWFLSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000262618 761607753 /nfs/dbraw/zinc/60/77/53/761607753.db2.gz ZWTCLAVUJYMULA-DOTOQJQBSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000332740 761649204 /nfs/dbraw/zinc/64/92/04/761649204.db2.gz JVGRZKMCRPJWAX-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242833 761878395 /nfs/dbraw/zinc/87/83/95/761878395.db2.gz RKXWDGPUCOOYRA-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001377918 762804889 /nfs/dbraw/zinc/80/48/89/762804889.db2.gz XVGYEGFOBSGASR-UHFFFAOYSA-N 2 1 312.417 1.533 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041667410 763208778 /nfs/dbraw/zinc/20/87/78/763208778.db2.gz DORYUWFKCZJMNL-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041667410 763208788 /nfs/dbraw/zinc/20/87/88/763208788.db2.gz DORYUWFKCZJMNL-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041667410 763208802 /nfs/dbraw/zinc/20/88/02/763208802.db2.gz DORYUWFKCZJMNL-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]21 ZINC001042063201 763605539 /nfs/dbraw/zinc/60/55/39/763605539.db2.gz SAQZSFCMOUAIKL-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042115016 763668462 /nfs/dbraw/zinc/66/84/62/763668462.db2.gz QDXYADVTXKVPMR-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517986 763695458 /nfs/dbraw/zinc/69/54/58/763695458.db2.gz OFYMYSWQKSHTGT-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001050547212 763739670 /nfs/dbraw/zinc/73/96/70/763739670.db2.gz XJWOLGCFPQZVKR-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042287688 763863636 /nfs/dbraw/zinc/86/36/36/763863636.db2.gz MAXJMHINTREXOE-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050662507 763885075 /nfs/dbraw/zinc/88/50/75/763885075.db2.gz IVZKHVKTWJTATI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001050694847 763930042 /nfs/dbraw/zinc/93/00/42/763930042.db2.gz MOUHUMQVQZUMDE-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001051083523 764487906 /nfs/dbraw/zinc/48/79/06/764487906.db2.gz AOGMKHHJQIJYSJ-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001051083523 764487909 /nfs/dbraw/zinc/48/79/09/764487909.db2.gz AOGMKHHJQIJYSJ-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051083523 764487912 /nfs/dbraw/zinc/48/79/12/764487912.db2.gz AOGMKHHJQIJYSJ-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051083523 764487914 /nfs/dbraw/zinc/48/79/14/764487914.db2.gz AOGMKHHJQIJYSJ-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131681744 768258941 /nfs/dbraw/zinc/25/89/41/768258941.db2.gz HNFVWAWEBWIGFB-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131696997 768279413 /nfs/dbraw/zinc/27/94/13/768279413.db2.gz FLOCDLHQOHVCSZ-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696997 768279418 /nfs/dbraw/zinc/27/94/18/768279418.db2.gz FLOCDLHQOHVCSZ-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696997 768279425 /nfs/dbraw/zinc/27/94/25/768279425.db2.gz FLOCDLHQOHVCSZ-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444523 766311530 /nfs/dbraw/zinc/31/15/30/766311530.db2.gz ODLAPMVTYCMTMA-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001045645160 766472220 /nfs/dbraw/zinc/47/22/20/766472220.db2.gz QPRUARYFZLQBFM-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045645160 766472222 /nfs/dbraw/zinc/47/22/22/766472222.db2.gz QPRUARYFZLQBFM-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC=C)CC1 ZINC001045895621 766674199 /nfs/dbraw/zinc/67/41/99/766674199.db2.gz LXSVFSZFJGGSML-MSOLQXFVSA-N 2 1 315.461 1.583 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129428925 766875691 /nfs/dbraw/zinc/87/56/91/766875691.db2.gz BBUWBRGNDKFBBQ-MRXNPFEDSA-N 2 1 309.454 1.302 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1)C1CCC1 ZINC001129532069 766918857 /nfs/dbraw/zinc/91/88/57/766918857.db2.gz PPZZYTZDWHUKKN-UHFFFAOYSA-N 2 1 300.406 1.248 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046377583 767487282 /nfs/dbraw/zinc/48/72/82/767487282.db2.gz MUIOUQFMPCZEER-RHSMWYFYSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046377583 767487284 /nfs/dbraw/zinc/48/72/84/767487284.db2.gz MUIOUQFMPCZEER-RHSMWYFYSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NCCOCCOCC[NH3+] ZINC001170504548 767624417 /nfs/dbraw/zinc/62/44/17/767624417.db2.gz BSKFBFBNRPMZBM-UHFFFAOYSA-N 2 1 305.382 1.021 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046562837 767691584 /nfs/dbraw/zinc/69/15/84/767691584.db2.gz SDCKDRQXOJTSGS-FUHWJXTLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046562837 767691587 /nfs/dbraw/zinc/69/15/87/767691587.db2.gz SDCKDRQXOJTSGS-FUHWJXTLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046562837 767691592 /nfs/dbraw/zinc/69/15/92/767691592.db2.gz SDCKDRQXOJTSGS-FUHWJXTLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132518140 768931606 /nfs/dbraw/zinc/93/16/06/768931606.db2.gz IXMGFLYZJOBMAW-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241387 769181507 /nfs/dbraw/zinc/18/15/07/769181507.db2.gz TWVJKCBRXJCVQH-WMLDXEAASA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@H](C)O2 ZINC001071241387 769181513 /nfs/dbraw/zinc/18/15/13/769181513.db2.gz TWVJKCBRXJCVQH-WMLDXEAASA-N 2 1 318.421 1.069 20 30 DDEDMP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001133853957 770341309 /nfs/dbraw/zinc/34/13/09/770341309.db2.gz UYMAPPHLIHUEAH-ZDUSSCGKSA-N 2 1 318.396 1.245 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001133853957 770341319 /nfs/dbraw/zinc/34/13/19/770341319.db2.gz UYMAPPHLIHUEAH-ZDUSSCGKSA-N 2 1 318.396 1.245 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175114 770500861 /nfs/dbraw/zinc/50/08/61/770500861.db2.gz LVYYUUBGZXRKPI-GASCZTMLSA-N 2 1 314.433 1.728 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175114 770500869 /nfs/dbraw/zinc/50/08/69/770500869.db2.gz LVYYUUBGZXRKPI-GASCZTMLSA-N 2 1 314.433 1.728 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235498 770582822 /nfs/dbraw/zinc/58/28/22/770582822.db2.gz QOJRFMJFAJRZLM-CALCHBBNSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126393 770684515 /nfs/dbraw/zinc/68/45/15/770684515.db2.gz OOTZCBUPBMYYOV-SJORKVTESA-N 2 1 301.434 1.614 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478780 770906917 /nfs/dbraw/zinc/90/69/17/770906917.db2.gz RVJLDBOXWCDVKD-KZNAEPCWSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716858 771109873 /nfs/dbraw/zinc/10/98/73/771109873.db2.gz GYBMMIFRYZDCPP-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716858 771109876 /nfs/dbraw/zinc/10/98/76/771109876.db2.gz GYBMMIFRYZDCPP-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716858 771109879 /nfs/dbraw/zinc/10/98/79/771109879.db2.gz GYBMMIFRYZDCPP-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001135307258 771433603 /nfs/dbraw/zinc/43/36/03/771433603.db2.gz SDVVIRQZJHFQIT-UHFFFAOYSA-N 2 1 324.428 1.729 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001148485923 773497299 /nfs/dbraw/zinc/49/72/99/773497299.db2.gz VGAMNIXZRFUPHE-CQSZACIVSA-N 2 1 302.422 1.841 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC001148638699 773562046 /nfs/dbraw/zinc/56/20/46/773562046.db2.gz NXVIEGMRDDBMOE-UHFFFAOYSA-N 2 1 318.421 1.137 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001074880726 774210612 /nfs/dbraw/zinc/21/06/12/774210612.db2.gz WFFTZHHSADUNML-LXZKKBNFSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036736919 774430105 /nfs/dbraw/zinc/43/01/05/774430105.db2.gz JFHWUPDCWCAYIC-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133984 774438445 /nfs/dbraw/zinc/43/84/45/774438445.db2.gz SLUNRYKMONZNTQ-HZPDHXFCSA-N 2 1 305.466 1.733 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833601 774805013 /nfs/dbraw/zinc/80/50/13/774805013.db2.gz VZRSIPPVNWIGGL-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099194198 774893046 /nfs/dbraw/zinc/89/30/46/774893046.db2.gz LSYYNQIHLIKFMF-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099518575 775014797 /nfs/dbraw/zinc/01/47/97/775014797.db2.gz BABVYHQBEAEAFX-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099521427 775015807 /nfs/dbraw/zinc/01/58/07/775015807.db2.gz RBXNWNRBPSWXJU-QAETUUGQSA-N 2 1 317.477 1.683 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159542 776067819 /nfs/dbraw/zinc/06/78/19/776067819.db2.gz PVEZIZWNDHRCNZ-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159542 776067828 /nfs/dbraw/zinc/06/78/28/776067828.db2.gz PVEZIZWNDHRCNZ-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159542 776067837 /nfs/dbraw/zinc/06/78/37/776067837.db2.gz PVEZIZWNDHRCNZ-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001101460415 777153401 /nfs/dbraw/zinc/15/34/01/777153401.db2.gz DONZPXFMYDRJGR-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460415 777153404 /nfs/dbraw/zinc/15/34/04/777153404.db2.gz DONZPXFMYDRJGR-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001101460415 777153409 /nfs/dbraw/zinc/15/34/09/777153409.db2.gz DONZPXFMYDRJGR-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150297162 777375432 /nfs/dbraw/zinc/37/54/32/777375432.db2.gz ALRDREZCJCPZFP-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1C ZINC001175255838 777736175 /nfs/dbraw/zinc/73/61/75/777736175.db2.gz HNXNTGHLQTWSGK-IAGOWNOFSA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428604 778132293 /nfs/dbraw/zinc/13/22/93/778132293.db2.gz LCCATZKKYLGJEA-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102428604 778132297 /nfs/dbraw/zinc/13/22/97/778132297.db2.gz LCCATZKKYLGJEA-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473791 778157703 /nfs/dbraw/zinc/15/77/03/778157703.db2.gz QDNNLBSZNRVZPW-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580096 778222217 /nfs/dbraw/zinc/22/22/17/778222217.db2.gz GCPSJMRECRYZDL-BXUZGUMPSA-N 2 1 310.829 1.628 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580096 778222224 /nfs/dbraw/zinc/22/22/24/778222224.db2.gz GCPSJMRECRYZDL-BXUZGUMPSA-N 2 1 310.829 1.628 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC=C)C[C@H]1C ZINC001103103263 778640340 /nfs/dbraw/zinc/64/03/40/778640340.db2.gz AWKSQAHAGVNAIH-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC=C)C[C@H]1C ZINC001103103263 778640346 /nfs/dbraw/zinc/64/03/46/778640346.db2.gz AWKSQAHAGVNAIH-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC=C)C[C@H]1C ZINC001103103263 778640349 /nfs/dbraw/zinc/64/03/49/778640349.db2.gz AWKSQAHAGVNAIH-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC=C)C[C@H]1C ZINC001103103263 778640354 /nfs/dbraw/zinc/64/03/54/778640354.db2.gz AWKSQAHAGVNAIH-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438461 778868722 /nfs/dbraw/zinc/86/87/22/778868722.db2.gz KFIVDFJMRLXONJ-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438461 778868725 /nfs/dbraw/zinc/86/87/25/778868725.db2.gz KFIVDFJMRLXONJ-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438461 778868733 /nfs/dbraw/zinc/86/87/33/778868733.db2.gz KFIVDFJMRLXONJ-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495553 778901510 /nfs/dbraw/zinc/90/15/10/778901510.db2.gz HVXZVXXNVYFINA-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495553 778901517 /nfs/dbraw/zinc/90/15/17/778901517.db2.gz HVXZVXXNVYFINA-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495553 778901523 /nfs/dbraw/zinc/90/15/23/778901523.db2.gz HVXZVXXNVYFINA-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751497 779028866 /nfs/dbraw/zinc/02/88/66/779028866.db2.gz BUJJLNYCEZPKDG-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178889982 779211448 /nfs/dbraw/zinc/21/14/48/779211448.db2.gz DIGJKBTWOSWTFL-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179421327 779379118 /nfs/dbraw/zinc/37/91/18/779379118.db2.gz SHOUBTAUVGDGFG-QRTARXTBSA-N 2 1 314.433 1.356 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001115544914 780226811 /nfs/dbraw/zinc/22/68/11/780226811.db2.gz HRXNMHBXAAKRJP-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001115692715 780351708 /nfs/dbraw/zinc/35/17/08/780351708.db2.gz YOXRWFURSWRAEL-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001271789925 844110853 /nfs/dbraw/zinc/11/08/53/844110853.db2.gz CYOWPCKRSOFTKQ-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP CC#CC[N@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001271789925 844110860 /nfs/dbraw/zinc/11/08/60/844110860.db2.gz CYOWPCKRSOFTKQ-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001271789925 844110868 /nfs/dbraw/zinc/11/08/68/844110868.db2.gz CYOWPCKRSOFTKQ-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267070375 837287512 /nfs/dbraw/zinc/28/75/12/837287512.db2.gz LQNHTJGSJQOFQJ-FUHWJXTLSA-N 2 1 313.445 1.751 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267548207 838285666 /nfs/dbraw/zinc/28/56/66/838285666.db2.gz AHTSBSLYFWDVDS-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267632699 838538393 /nfs/dbraw/zinc/53/83/93/838538393.db2.gz ROWABMZVBSKCPD-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267780105 838962589 /nfs/dbraw/zinc/96/25/89/838962589.db2.gz ZDEUCVPPFIBPBX-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272043437 844424041 /nfs/dbraw/zinc/42/40/41/844424041.db2.gz MLRXMESFLLCBJO-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001279280841 839800653 /nfs/dbraw/zinc/80/06/53/839800653.db2.gz TVQUMYIVIASEFB-KLAILNCOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001269460107 841659828 /nfs/dbraw/zinc/65/98/28/841659828.db2.gz DVRPXHOVSOFWGW-CABCVRRESA-N 2 1 302.422 1.262 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001269553482 841759754 /nfs/dbraw/zinc/75/97/54/841759754.db2.gz UKBLLRLUSDFRGM-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCOC ZINC001284657872 842114257 /nfs/dbraw/zinc/11/42/57/842114257.db2.gz MKXIHKHLELRFAC-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)CCOC ZINC001284657872 842114265 /nfs/dbraw/zinc/11/42/65/842114265.db2.gz MKXIHKHLELRFAC-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)CCOC ZINC001284657872 842114269 /nfs/dbraw/zinc/11/42/69/842114269.db2.gz MKXIHKHLELRFAC-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=C)C)CC1 ZINC001270359639 842513770 /nfs/dbraw/zinc/51/37/70/842513770.db2.gz YVXHICFVLZLJFA-QGZVFWFLSA-N 2 1 317.477 1.831 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001270705749 842835489 /nfs/dbraw/zinc/83/54/89/842835489.db2.gz XMTSMTKAUHHPTB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001270705749 842835497 /nfs/dbraw/zinc/83/54/97/842835497.db2.gz XMTSMTKAUHHPTB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001270718487 842844268 /nfs/dbraw/zinc/84/42/68/842844268.db2.gz OSVFSNWQSJTIBX-AEFFLSMTSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001271749260 843835814 /nfs/dbraw/zinc/83/58/14/843835814.db2.gz AQNPURSWYQXNEU-YYIAUSFCSA-N 2 1 305.466 1.565 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000996993014 847076768 /nfs/dbraw/zinc/07/67/68/847076768.db2.gz QEHMMNFOKUFARA-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000996993014 847076771 /nfs/dbraw/zinc/07/67/71/847076771.db2.gz QEHMMNFOKUFARA-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272809134 847462969 /nfs/dbraw/zinc/46/29/69/847462969.db2.gz XWUFRZLQQOLXCO-QGZVFWFLSA-N 2 1 313.405 1.222 20 30 DDEDMP N#CCCCN1CC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272809134 847462971 /nfs/dbraw/zinc/46/29/71/847462971.db2.gz XWUFRZLQQOLXCO-QGZVFWFLSA-N 2 1 313.405 1.222 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398696 848463601 /nfs/dbraw/zinc/46/36/01/848463601.db2.gz POMVFQMWTLAMCO-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398696 848463606 /nfs/dbraw/zinc/46/36/06/848463606.db2.gz POMVFQMWTLAMCO-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398696 848463609 /nfs/dbraw/zinc/46/36/09/848463609.db2.gz POMVFQMWTLAMCO-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398696 848463611 /nfs/dbraw/zinc/46/36/11/848463611.db2.gz POMVFQMWTLAMCO-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273145836 848577724 /nfs/dbraw/zinc/57/77/24/848577724.db2.gz YXWYJTYJJVPKPQ-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841661 861935690 /nfs/dbraw/zinc/93/56/90/861935690.db2.gz ICTKXHKVMPCROC-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841661 861935696 /nfs/dbraw/zinc/93/56/96/861935696.db2.gz ICTKXHKVMPCROC-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841661 861935703 /nfs/dbraw/zinc/93/57/03/861935703.db2.gz ICTKXHKVMPCROC-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001273630720 851167511 /nfs/dbraw/zinc/16/75/11/851167511.db2.gz VQLZCBDBGQXKIR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001273630720 851167516 /nfs/dbraw/zinc/16/75/16/851167516.db2.gz VQLZCBDBGQXKIR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C[N@@H+](C)C(C)C ZINC001273771210 851325486 /nfs/dbraw/zinc/32/54/86/851325486.db2.gz BHIOVYVHOCJJRH-UHFFFAOYSA-N 2 1 322.478 1.898 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001273877162 851453459 /nfs/dbraw/zinc/45/34/59/851453459.db2.gz UJZOQTBTQZMBQL-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001275135503 852830873 /nfs/dbraw/zinc/83/08/73/852830873.db2.gz KADJSGVXUXNEKF-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001275135503 852830883 /nfs/dbraw/zinc/83/08/83/852830883.db2.gz KADJSGVXUXNEKF-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001280710298 853123111 /nfs/dbraw/zinc/12/31/11/853123111.db2.gz QRGZJSWIQBCEKS-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001280710298 853123118 /nfs/dbraw/zinc/12/31/18/853123118.db2.gz QRGZJSWIQBCEKS-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001280710298 853123123 /nfs/dbraw/zinc/12/31/23/853123123.db2.gz QRGZJSWIQBCEKS-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001275807239 853795956 /nfs/dbraw/zinc/79/59/56/853795956.db2.gz RGYURPGLPNFMIV-IAGOWNOFSA-N 2 1 323.481 1.549 20 30 DDEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001275928859 853964340 /nfs/dbraw/zinc/96/43/40/853964340.db2.gz UIGGPHRTBWXFLU-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001275928859 853964343 /nfs/dbraw/zinc/96/43/43/853964343.db2.gz UIGGPHRTBWXFLU-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001276207708 854969327 /nfs/dbraw/zinc/96/93/27/854969327.db2.gz FGIUMZBOPLEMCU-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001276243700 855037413 /nfs/dbraw/zinc/03/74/13/855037413.db2.gz FZMQUIIAQBGVDW-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095767719 855329910 /nfs/dbraw/zinc/32/99/10/855329910.db2.gz UOYMEWDCVGDLFY-PVAVHDDUSA-N 2 1 308.385 1.693 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001049549021 856960371 /nfs/dbraw/zinc/96/03/71/856960371.db2.gz MYJJLALPLFLGMP-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549021 856960377 /nfs/dbraw/zinc/96/03/77/856960377.db2.gz MYJJLALPLFLGMP-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549021 856960381 /nfs/dbraw/zinc/96/03/81/856960381.db2.gz MYJJLALPLFLGMP-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549021 856960386 /nfs/dbraw/zinc/96/03/86/856960386.db2.gz MYJJLALPLFLGMP-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549021 856960393 /nfs/dbraw/zinc/96/03/93/856960393.db2.gz MYJJLALPLFLGMP-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049567567 856986326 /nfs/dbraw/zinc/98/63/26/856986326.db2.gz MQUVCTTWXHFYPP-DLBZAZTESA-N 2 1 315.461 1.703 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740830 857661888 /nfs/dbraw/zinc/66/18/88/857661888.db2.gz LOXUQIQDEWPXIU-QGZVFWFLSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001072850301 857796902 /nfs/dbraw/zinc/79/69/02/857796902.db2.gz VMTOQLZJMAVSKQ-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072850301 857796905 /nfs/dbraw/zinc/79/69/05/857796905.db2.gz VMTOQLZJMAVSKQ-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072850301 857796911 /nfs/dbraw/zinc/79/69/11/857796911.db2.gz VMTOQLZJMAVSKQ-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC001072870344 857824865 /nfs/dbraw/zinc/82/48/65/857824865.db2.gz FUURMUQALHPZSZ-HNNXBMFYSA-N 2 1 312.417 1.003 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072922024 857894302 /nfs/dbraw/zinc/89/43/02/857894302.db2.gz ZKWQZRNFMWMSTE-HNNXBMFYSA-N 2 1 314.433 1.474 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072922024 857894310 /nfs/dbraw/zinc/89/43/10/857894310.db2.gz ZKWQZRNFMWMSTE-HNNXBMFYSA-N 2 1 314.433 1.474 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073049914 858048031 /nfs/dbraw/zinc/04/80/31/858048031.db2.gz AWZOWENKLUGALG-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073049914 858048038 /nfs/dbraw/zinc/04/80/38/858048038.db2.gz AWZOWENKLUGALG-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073049914 858048045 /nfs/dbraw/zinc/04/80/45/858048045.db2.gz AWZOWENKLUGALG-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121773651 858593596 /nfs/dbraw/zinc/59/35/96/858593596.db2.gz UBHOXUAWTNQFDJ-UICTUYQUSA-N 2 1 305.466 1.777 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001123944546 859487265 /nfs/dbraw/zinc/48/72/65/859487265.db2.gz ZIBNHUIMSFQWCT-WBVHZDCISA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCN1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001138772758 860181530 /nfs/dbraw/zinc/18/15/30/860181530.db2.gz ATVVXPFNMVNNBN-UHFFFAOYSA-N 2 1 301.434 1.378 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224711473 881508725 /nfs/dbraw/zinc/50/87/25/881508725.db2.gz BBCUTROVFFYIAP-UHFFFAOYSA-N 2 1 302.422 1.468 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001224787919 881536302 /nfs/dbraw/zinc/53/63/02/881536302.db2.gz KTEQUQLDVKLJSU-CQSZACIVSA-N 2 1 302.422 1.440 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001325946269 860979563 /nfs/dbraw/zinc/97/95/63/860979563.db2.gz OCKWKBGIMDZKMS-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001328859248 863285977 /nfs/dbraw/zinc/28/59/77/863285977.db2.gz MMGXBBKYWVPSLD-NFOMZHRRSA-N 2 1 302.422 1.514 20 30 DDEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001329472965 863685248 /nfs/dbraw/zinc/68/52/48/863685248.db2.gz VXOZUXZUCQVBNJ-CVEARBPZSA-N 2 1 304.438 1.930 20 30 DDEDMP CC#CCN(C)[C@H](C)CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001329472965 863685249 /nfs/dbraw/zinc/68/52/49/863685249.db2.gz VXOZUXZUCQVBNJ-CVEARBPZSA-N 2 1 304.438 1.930 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001330244008 864183839 /nfs/dbraw/zinc/18/38/39/864183839.db2.gz IESCROUOUOPABS-HZPDHXFCSA-N 2 1 323.481 1.049 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001158385450 864616098 /nfs/dbraw/zinc/61/60/98/864616098.db2.gz IRNLTDBVYAFRJS-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001158385450 864616102 /nfs/dbraw/zinc/61/61/02/864616102.db2.gz IRNLTDBVYAFRJS-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001158385450 864616107 /nfs/dbraw/zinc/61/61/07/864616107.db2.gz IRNLTDBVYAFRJS-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001158385450 864616119 /nfs/dbraw/zinc/61/61/19/864616119.db2.gz IRNLTDBVYAFRJS-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158744147 864875108 /nfs/dbraw/zinc/87/51/08/864875108.db2.gz DHUXITDNEPVECD-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP COCC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001331202519 864940339 /nfs/dbraw/zinc/94/03/39/864940339.db2.gz JSQVXEINFLHACR-IAGOWNOFSA-N 2 1 323.481 1.241 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001160196675 865723010 /nfs/dbraw/zinc/72/30/10/865723010.db2.gz XGJJPLYRXHFCFF-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196675 865723019 /nfs/dbraw/zinc/72/30/19/865723019.db2.gz XGJJPLYRXHFCFF-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001160196675 865723027 /nfs/dbraw/zinc/72/30/27/865723027.db2.gz XGJJPLYRXHFCFF-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001319817918 866312726 /nfs/dbraw/zinc/31/27/26/866312726.db2.gz OSEMLXFDVCECCL-HZPDHXFCSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001323445041 866614230 /nfs/dbraw/zinc/61/42/30/866614230.db2.gz WDDSXLQTPOIZSF-OAHLLOKOSA-N 2 1 303.450 1.513 20 30 DDEDMP C=CC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161471790 866692438 /nfs/dbraw/zinc/69/24/38/866692438.db2.gz FUQFOBCJSNRJFT-UHFFFAOYSA-N 2 1 307.438 1.033 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161471790 866692445 /nfs/dbraw/zinc/69/24/45/866692445.db2.gz FUQFOBCJSNRJFT-UHFFFAOYSA-N 2 1 307.438 1.033 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001161723457 866936637 /nfs/dbraw/zinc/93/66/37/866936637.db2.gz OZTAFHDVVHKJHO-UHFFFAOYSA-N 2 1 312.417 1.533 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870288 867054199 /nfs/dbraw/zinc/05/41/99/867054199.db2.gz YCDFDAWMPPEAMY-UHFFFAOYSA-N 2 1 300.406 1.353 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870288 867054212 /nfs/dbraw/zinc/05/42/12/867054212.db2.gz YCDFDAWMPPEAMY-UHFFFAOYSA-N 2 1 300.406 1.353 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603921 867672698 /nfs/dbraw/zinc/67/26/98/867672698.db2.gz CXMHHHUXHUDISD-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001325004914 867692071 /nfs/dbraw/zinc/69/20/71/867692071.db2.gz BNTFTZCWIUWBCI-HZPDHXFCSA-N 2 1 321.465 1.444 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001325055753 867726354 /nfs/dbraw/zinc/72/63/54/867726354.db2.gz VFSSGZPVNVBFHO-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001325055753 867726363 /nfs/dbraw/zinc/72/63/63/867726363.db2.gz VFSSGZPVNVBFHO-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001325055753 867726372 /nfs/dbraw/zinc/72/63/72/867726372.db2.gz VFSSGZPVNVBFHO-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001325562141 868138247 /nfs/dbraw/zinc/13/82/47/868138247.db2.gz RBHJHHAJXNUYQJ-JKSUJKDBSA-N 2 1 307.482 1.672 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001325763358 868334990 /nfs/dbraw/zinc/33/49/90/868334990.db2.gz SRPUAXWQAOCCQA-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001325763358 868334999 /nfs/dbraw/zinc/33/49/99/868334999.db2.gz SRPUAXWQAOCCQA-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001325763358 868335009 /nfs/dbraw/zinc/33/50/09/868335009.db2.gz SRPUAXWQAOCCQA-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001166633201 870112802 /nfs/dbraw/zinc/11/28/02/870112802.db2.gz CEJAAVIBGAONHE-HNNXBMFYSA-N 2 1 314.433 1.638 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001166633592 870116088 /nfs/dbraw/zinc/11/60/88/870116088.db2.gz IATHXJTXIUQBAA-GFCCVEGCSA-N 2 1 318.259 1.475 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317212991 870480580 /nfs/dbraw/zinc/48/05/80/870480580.db2.gz OLSKXSCIAKVSQW-FIDHJVLJSA-N 2 1 307.482 1.974 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462431 871568350 /nfs/dbraw/zinc/56/83/50/871568350.db2.gz XXWRBRJXTRVZMN-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317840811 871574748 /nfs/dbraw/zinc/57/47/48/871574748.db2.gz VKORKQJXBABYIT-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317840811 871574759 /nfs/dbraw/zinc/57/47/59/871574759.db2.gz VKORKQJXBABYIT-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317840811 871574772 /nfs/dbraw/zinc/57/47/72/871574772.db2.gz VKORKQJXBABYIT-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001317877286 871615212 /nfs/dbraw/zinc/61/52/12/871615212.db2.gz WMVRPQPDVFIYPM-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001317877286 871615223 /nfs/dbraw/zinc/61/52/23/871615223.db2.gz WMVRPQPDVFIYPM-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001317877286 871615230 /nfs/dbraw/zinc/61/52/30/871615230.db2.gz WMVRPQPDVFIYPM-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001316811540 872091591 /nfs/dbraw/zinc/09/15/91/872091591.db2.gz RSTYXQGKFXAEAE-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281564 872183866 /nfs/dbraw/zinc/18/38/66/872183866.db2.gz MGJOCUMCWPFQHC-IUODEOHRSA-N 2 1 313.873 1.765 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001318955621 872365029 /nfs/dbraw/zinc/36/50/29/872365029.db2.gz DMFRSHHJROCYIZ-VQHPVUNQSA-N 2 1 323.456 1.849 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H](C)F)CC1 ZINC001318955621 872365050 /nfs/dbraw/zinc/36/50/50/872365050.db2.gz DMFRSHHJROCYIZ-VQHPVUNQSA-N 2 1 323.456 1.849 20 30 DDEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001319548296 872683896 /nfs/dbraw/zinc/68/38/96/872683896.db2.gz DQLMLEXWQPYWCR-OAHLLOKOSA-N 2 1 320.437 1.058 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073076 873809305 /nfs/dbraw/zinc/80/93/05/873809305.db2.gz BHBBNUIGVPUMNF-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046443 875638649 /nfs/dbraw/zinc/63/86/49/875638649.db2.gz PAJFZFCIQIQZCL-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855617 876481791 /nfs/dbraw/zinc/48/17/91/876481791.db2.gz IIHFSAOVNOFHSS-KFWWJZLASA-N 2 1 300.406 1.220 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001374284272 912433610 /nfs/dbraw/zinc/43/36/10/912433610.db2.gz UGOJPXIYYGLSRD-JSGCOSHPSA-N 2 1 324.856 1.943 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979736 879422471 /nfs/dbraw/zinc/42/24/71/879422471.db2.gz SVGMJSFHADMRKV-CVEARBPZSA-N 2 1 311.470 1.214 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001220979736 879422484 /nfs/dbraw/zinc/42/24/84/879422484.db2.gz SVGMJSFHADMRKV-CVEARBPZSA-N 2 1 311.470 1.214 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001357346477 879926162 /nfs/dbraw/zinc/92/61/62/879926162.db2.gz KOFRXAMCDTZMTM-QLFBSQMISA-N 2 1 311.470 1.674 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001357346477 879926171 /nfs/dbraw/zinc/92/61/71/879926171.db2.gz KOFRXAMCDTZMTM-QLFBSQMISA-N 2 1 311.470 1.674 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224131151 881233718 /nfs/dbraw/zinc/23/37/18/881233718.db2.gz WRGQBNPXJNYCGL-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131151 881233737 /nfs/dbraw/zinc/23/37/37/881233737.db2.gz WRGQBNPXJNYCGL-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224131151 881233752 /nfs/dbraw/zinc/23/37/52/881233752.db2.gz WRGQBNPXJNYCGL-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001277655019 886337724 /nfs/dbraw/zinc/33/77/24/886337724.db2.gz HOEUPLDEZMKGAR-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001277779068 886852822 /nfs/dbraw/zinc/85/28/22/886852822.db2.gz BPPUVABGOFKSHY-QAPCUYQASA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCN1CC[NH+](CCCCCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281789959 889325412 /nfs/dbraw/zinc/32/54/12/889325412.db2.gz LYBFUUYKJRYGEI-QGZVFWFLSA-N 2 1 322.497 1.028 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001278485641 893189107 /nfs/dbraw/zinc/18/91/07/893189107.db2.gz BIRMUHMHBGCBKE-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccc(C#N)s1)[NH+](C)C ZINC001366627629 894332115 /nfs/dbraw/zinc/33/21/15/894332115.db2.gz KEFMLYGOYMPXGM-HNNXBMFYSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccc(C#N)s1)[NH+](C)C ZINC001366627629 894332128 /nfs/dbraw/zinc/33/21/28/894332128.db2.gz KEFMLYGOYMPXGM-HNNXBMFYSA-N 2 1 322.478 1.898 20 30 DDEDMP C#CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001251835974 894835885 /nfs/dbraw/zinc/83/58/85/894835885.db2.gz SAYXFSPYVXGOAW-BZUAXINKSA-N 2 1 320.458 1.122 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC001278672412 895284028 /nfs/dbraw/zinc/28/40/28/895284028.db2.gz ICVCNMGBUJWNJG-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001278674026 895311337 /nfs/dbraw/zinc/31/13/37/895311337.db2.gz XXGUXMGOTHJTNQ-XYJFISCASA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278674026 895311352 /nfs/dbraw/zinc/31/13/52/895311352.db2.gz XXGUXMGOTHJTNQ-XYJFISCASA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278674026 895311367 /nfs/dbraw/zinc/31/13/67/895311367.db2.gz XXGUXMGOTHJTNQ-XYJFISCASA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001252604094 895312462 /nfs/dbraw/zinc/31/24/62/895312462.db2.gz MRRDAZFBTSDTKQ-WBVHZDCISA-N 2 1 324.465 1.663 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001252604094 895312476 /nfs/dbraw/zinc/31/24/76/895312476.db2.gz MRRDAZFBTSDTKQ-WBVHZDCISA-N 2 1 324.465 1.663 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001367387682 896632848 /nfs/dbraw/zinc/63/28/48/896632848.db2.gz RYLNUDNBWCOYNU-TZMCWYRMSA-N 2 1 324.856 1.943 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001278821118 896645008 /nfs/dbraw/zinc/64/50/08/896645008.db2.gz IKMHYTQOGLOERC-WMLDXEAASA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001278821118 896645014 /nfs/dbraw/zinc/64/50/14/896645014.db2.gz IKMHYTQOGLOERC-WMLDXEAASA-N 2 1 320.437 1.099 20 30 DDEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001278878880 897081600 /nfs/dbraw/zinc/08/16/00/897081600.db2.gz WAYXLZXROVBBQF-HOTGVXAUSA-N 2 1 311.470 1.186 20 30 DDEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001278878880 897081611 /nfs/dbraw/zinc/08/16/11/897081611.db2.gz WAYXLZXROVBBQF-HOTGVXAUSA-N 2 1 311.470 1.186 20 30 DDEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001278878880 897081621 /nfs/dbraw/zinc/08/16/21/897081621.db2.gz WAYXLZXROVBBQF-HOTGVXAUSA-N 2 1 311.470 1.186 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001278963056 897574665 /nfs/dbraw/zinc/57/46/65/897574665.db2.gz WGLXVOVRNWMGAP-XHSDSOJGSA-N 2 1 307.482 1.861 20 30 DDEDMP C=C(C[NH+]1CCCC1)c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258091278 898049477 /nfs/dbraw/zinc/04/94/77/898049477.db2.gz LBVGUMIYWHHTDG-GASCZTMLSA-N 2 1 320.437 1.830 20 30 DDEDMP C=C(C[NH+]1CCCC1)c1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001258091278 898049495 /nfs/dbraw/zinc/04/94/95/898049495.db2.gz LBVGUMIYWHHTDG-GASCZTMLSA-N 2 1 320.437 1.830 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001264401452 901089526 /nfs/dbraw/zinc/08/95/26/901089526.db2.gz BCEISPJMCIQFBG-HRCADAONSA-N 2 1 316.449 1.814 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001265595259 902176087 /nfs/dbraw/zinc/17/60/87/902176087.db2.gz VOZORQVCYCVCEQ-QGZVFWFLSA-N 2 1 323.481 1.196 20 30 DDEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001265595259 902176098 /nfs/dbraw/zinc/17/60/98/902176098.db2.gz VOZORQVCYCVCEQ-QGZVFWFLSA-N 2 1 323.481 1.196 20 30 DDEDMP CCC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001265595259 902176111 /nfs/dbraw/zinc/17/61/11/902176111.db2.gz VOZORQVCYCVCEQ-QGZVFWFLSA-N 2 1 323.481 1.196 20 30 DDEDMP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001266007254 902744551 /nfs/dbraw/zinc/74/45/51/902744551.db2.gz VYNSCBSNJRLHEY-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001266174804 903060331 /nfs/dbraw/zinc/06/03/31/903060331.db2.gz VDNCSOZJISJJCB-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001266174804 903060346 /nfs/dbraw/zinc/06/03/46/903060346.db2.gz VDNCSOZJISJJCB-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001266174804 903060360 /nfs/dbraw/zinc/06/03/60/903060360.db2.gz VDNCSOZJISJJCB-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C1CC1 ZINC001266174804 903060375 /nfs/dbraw/zinc/06/03/75/903060375.db2.gz VDNCSOZJISJJCB-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001279518026 903298952 /nfs/dbraw/zinc/29/89/52/903298952.db2.gz DFCIXEIYSIREJK-FUHWJXTLSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001279518026 903298957 /nfs/dbraw/zinc/29/89/57/903298957.db2.gz DFCIXEIYSIREJK-FUHWJXTLSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001279518026 903298964 /nfs/dbraw/zinc/29/89/64/903298964.db2.gz DFCIXEIYSIREJK-FUHWJXTLSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CO2 ZINC001280970167 904256633 /nfs/dbraw/zinc/25/66/33/904256633.db2.gz XPBLFPJLRPEKPN-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001371141822 904336287 /nfs/dbraw/zinc/33/62/87/904336287.db2.gz QBJNRFLDDQGWHI-GHMZBOCLSA-N 2 1 304.232 1.084 20 30 DDEDMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001371366554 904808292 /nfs/dbraw/zinc/80/82/92/904808292.db2.gz XKXWZRVYHOCEMH-CHWSQXEVSA-N 2 1 320.462 1.556 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001371534416 905164392 /nfs/dbraw/zinc/16/43/92/905164392.db2.gz OQTJSLQRSHHQJV-ZDUSSCGKSA-N 2 1 301.862 1.907 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CCF)C(C)C ZINC001282557775 905868049 /nfs/dbraw/zinc/86/80/49/905868049.db2.gz IVASBTFEGPWONM-HOTGVXAUSA-N 2 1 311.445 1.516 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CCF)C(C)C ZINC001282557775 905868064 /nfs/dbraw/zinc/86/80/64/905868064.db2.gz IVASBTFEGPWONM-HOTGVXAUSA-N 2 1 311.445 1.516 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001282676973 905940919 /nfs/dbraw/zinc/94/09/19/905940919.db2.gz WOENFGZDSAMHBG-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001282676973 905940935 /nfs/dbraw/zinc/94/09/35/905940935.db2.gz WOENFGZDSAMHBG-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001282676973 905940950 /nfs/dbraw/zinc/94/09/50/905940950.db2.gz WOENFGZDSAMHBG-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001283471265 907406692 /nfs/dbraw/zinc/40/66/92/907406692.db2.gz KVFMVIUYNHXUPV-IRXDYDNUSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001284029264 908341542 /nfs/dbraw/zinc/34/15/42/908341542.db2.gz DICVBHLGTOGFNH-NVXWUHKLSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001284029264 908341557 /nfs/dbraw/zinc/34/15/57/908341557.db2.gz DICVBHLGTOGFNH-NVXWUHKLSA-N 2 1 301.434 1.883 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001376158620 917840101 /nfs/dbraw/zinc/84/01/01/917840101.db2.gz YVBUBLOGNQERCQ-OAHLLOKOSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001376158620 917840114 /nfs/dbraw/zinc/84/01/14/917840114.db2.gz YVBUBLOGNQERCQ-OAHLLOKOSA-N 2 1 318.396 1.340 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000578776806 354712544 /nfs/dbraw/zinc/71/25/44/354712544.db2.gz OXJMLXMOAQHVQX-CQSZACIVSA-N 2 1 302.422 1.521 20 30 DDEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592524760 355611708 /nfs/dbraw/zinc/61/17/08/355611708.db2.gz ZURHHOJMDPEAGY-KRWDZBQOSA-N 2 1 303.406 1.477 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)s1 ZINC000597942789 357392306 /nfs/dbraw/zinc/39/23/06/357392306.db2.gz OXGRGYFLGAZUQD-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)s1 ZINC000597942789 357392312 /nfs/dbraw/zinc/39/23/12/357392312.db2.gz OXGRGYFLGAZUQD-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CCCCC1 ZINC000597942962 357393091 /nfs/dbraw/zinc/39/30/91/357393091.db2.gz RESBSEHOMXFVGS-HNNXBMFYSA-N 2 1 308.470 1.849 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CCCCC1 ZINC000597942962 357393093 /nfs/dbraw/zinc/39/30/93/357393093.db2.gz RESBSEHOMXFVGS-HNNXBMFYSA-N 2 1 308.470 1.849 20 30 DDEDMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599344916 357903228 /nfs/dbraw/zinc/90/32/28/357903228.db2.gz KMSGGYZAGVKELG-INIZCTEOSA-N 2 1 321.465 1.618 20 30 DDEDMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)CC1(C#N)CCOCC1)CC2 ZINC000599344916 357903234 /nfs/dbraw/zinc/90/32/34/357903234.db2.gz KMSGGYZAGVKELG-INIZCTEOSA-N 2 1 321.465 1.618 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970082 407085217 /nfs/dbraw/zinc/08/52/17/407085217.db2.gz XRAYQSQVDBCBPC-SFHVURJKSA-N 2 1 320.481 1.849 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000104172218 407348619 /nfs/dbraw/zinc/34/86/19/407348619.db2.gz LYNMZHJGEZUAPQ-CYBMUJFWSA-N 2 1 306.410 1.060 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000131712283 407751287 /nfs/dbraw/zinc/75/12/87/407751287.db2.gz SOLBMKATURYZAV-MRXNPFEDSA-N 2 1 306.454 1.556 20 30 DDEDMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1C#N ZINC000262513578 407853613 /nfs/dbraw/zinc/85/36/13/407853613.db2.gz NEKGVCZVDJUCBA-MRXNPFEDSA-N 2 1 300.406 1.046 20 30 DDEDMP Cc1nccn1CCC[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000136309009 408094855 /nfs/dbraw/zinc/09/48/55/408094855.db2.gz SKMPPXQKFMVGAY-INIZCTEOSA-N 2 1 303.410 1.322 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000136309009 408094869 /nfs/dbraw/zinc/09/48/69/408094869.db2.gz SKMPPXQKFMVGAY-INIZCTEOSA-N 2 1 303.410 1.322 20 30 DDEDMP CN(C(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000273308456 408147288 /nfs/dbraw/zinc/14/72/88/408147288.db2.gz BIFSBXMAUVGBDX-UHFFFAOYSA-N 2 1 316.453 1.003 20 30 DDEDMP C[C@]1(CNC(=[NH2+])N2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000162457215 408701032 /nfs/dbraw/zinc/70/10/32/408701032.db2.gz RUGPBBYTBKEXLJ-GOSISDBHSA-N 2 1 316.449 1.688 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000281634969 408901166 /nfs/dbraw/zinc/90/11/66/408901166.db2.gz ABIVAPZJQSXONP-UHFFFAOYSA-N 2 1 319.453 1.448 20 30 DDEDMP C=CCN(CC=C)C(=O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000350744419 409989253 /nfs/dbraw/zinc/98/92/53/409989253.db2.gz AOGUNCKZGSXAGB-QGZVFWFLSA-N 2 1 305.466 1.851 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000358605732 410495335 /nfs/dbraw/zinc/49/53/35/410495335.db2.gz YTAHOMVMJYSMJT-UHFFFAOYSA-N 2 1 316.449 1.790 20 30 DDEDMP C[C@H](C1CC[NH+](C)CC1)N(C)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330279944 410612422 /nfs/dbraw/zinc/61/24/22/410612422.db2.gz RUNKUDBANRHNGF-HIFRSBDPSA-N 2 1 319.453 1.774 20 30 DDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC[C@]1(C)CCCO1 ZINC000261674872 222253645 /nfs/dbraw/zinc/25/36/45/222253645.db2.gz CLEKVCMBDRESIG-LSDHHAIUSA-N 2 1 314.499 1.158 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCNc1ccccn1 ZINC000264234419 222328475 /nfs/dbraw/zinc/32/84/75/222328475.db2.gz CVAKIYOFVOMYSP-OAHLLOKOSA-N 3 1 318.469 1.662 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN/C(N)=[NH+]/Cc1cn2ccsc2n1 ZINC000262344588 222276652 /nfs/dbraw/zinc/27/66/52/222276652.db2.gz TVASJTWSGOXMFK-LBPRGKRZSA-N 2 1 306.439 1.284 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NCc1ccc2c(c1)OCO2 ZINC000262625477 222287034 /nfs/dbraw/zinc/28/70/34/222287034.db2.gz RZKGFMJLYXBZHV-UHFFFAOYSA-N 2 1 315.377 1.285 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COc2ccccc2O1 ZINC000263077200 222302937 /nfs/dbraw/zinc/30/29/37/222302937.db2.gz CPXIYJWDMCAPOA-KGLIPLIRSA-N 2 1 318.421 1.215 20 30 DDEDMP CC[NH+]1CCN(CCCCNC(NCc2ccco2)=[NH+]C)CC1 ZINC000264048089 222310894 /nfs/dbraw/zinc/31/08/94/222310894.db2.gz LIPHAVYQWQZNIF-UHFFFAOYSA-N 2 1 321.469 1.362 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000264091745 222315485 /nfs/dbraw/zinc/31/54/85/222315485.db2.gz LDNSDWFRGAOZBK-NSHDSACASA-N 2 1 319.384 1.759 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccco1)N(C)C ZINC000264106062 222317743 /nfs/dbraw/zinc/31/77/43/222317743.db2.gz NSQVGACEZQPTRS-ZIAGYGMSSA-N 2 1 307.442 1.271 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1ccccc1 ZINC000264104437 222318599 /nfs/dbraw/zinc/31/85/99/222318599.db2.gz PCELJWSADNVVFR-CQSZACIVSA-N 2 1 303.410 1.014 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccccc1 ZINC000267420223 222384112 /nfs/dbraw/zinc/38/41/12/222384112.db2.gz KJQNJQUGIYEERA-NVXWUHKLSA-N 2 1 304.438 1.283 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccccc1 ZINC000267420225 222384286 /nfs/dbraw/zinc/38/42/86/222384286.db2.gz KJQNJQUGIYEERA-RDJZCZTQSA-N 2 1 304.438 1.283 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccccc1 ZINC000267453652 222385673 /nfs/dbraw/zinc/38/56/73/222385673.db2.gz SCKKQHLJIQWRNE-HNNXBMFYSA-N 2 1 320.437 1.081 20 30 DDEDMP CC#CCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378066886 418718684 /nfs/dbraw/zinc/71/86/84/418718684.db2.gz GPEABTMMIXOZKT-UHFFFAOYSA-N 2 1 320.481 1.505 20 30 DDEDMP Cn1cc(C[N@@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000364714615 418802646 /nfs/dbraw/zinc/80/26/46/418802646.db2.gz CBLDZOGEJBLDCE-OIISXLGYSA-N 2 1 302.422 1.580 20 30 DDEDMP Cn1cc(C[N@H+]2CCO[C@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000364714615 418802647 /nfs/dbraw/zinc/80/26/47/418802647.db2.gz CBLDZOGEJBLDCE-OIISXLGYSA-N 2 1 302.422 1.580 20 30 DDEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000573437825 421965408 /nfs/dbraw/zinc/96/54/08/421965408.db2.gz MVQKESUGAPNMGG-IAGOWNOFSA-N 2 1 310.486 1.150 20 30 DDEDMP C=C(C)COCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634708530 422572069 /nfs/dbraw/zinc/57/20/69/422572069.db2.gz WHJCJQVQBSZEOZ-SFHVURJKSA-N 2 1 304.434 1.806 20 30 DDEDMP C=C(C)COCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708530 422572074 /nfs/dbraw/zinc/57/20/74/422572074.db2.gz WHJCJQVQBSZEOZ-SFHVURJKSA-N 2 1 304.434 1.806 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)s1 ZINC000344306290 268072817 /nfs/dbraw/zinc/07/28/17/268072817.db2.gz JFIPXJSOPHRFAW-UHFFFAOYSA-N 2 1 322.478 1.099 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC001120589623 782041641 /nfs/dbraw/zinc/04/16/41/782041641.db2.gz DPQHSWIOSFTFNK-KRWDZBQOSA-N 2 1 320.408 1.643 20 30 DDEDMP CO[C@H]1C[NH+](CC#CC[N@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342138046 277343977 /nfs/dbraw/zinc/34/39/77/277343977.db2.gz SGNFGUMJKCUAQH-USTZCAOPSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@H]1C[N@H+](CC#CC[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342138046 277343978 /nfs/dbraw/zinc/34/39/78/277343978.db2.gz SGNFGUMJKCUAQH-USTZCAOPSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@H]1C[N@@H+](CC#CC[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000342138046 277343979 /nfs/dbraw/zinc/34/39/79/277343979.db2.gz SGNFGUMJKCUAQH-USTZCAOPSA-N 2 1 308.466 1.703 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000491428582 526814497 /nfs/dbraw/zinc/81/44/97/526814497.db2.gz PPWVNXVUUINNGS-INIZCTEOSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000491428582 526814505 /nfs/dbraw/zinc/81/45/05/526814505.db2.gz PPWVNXVUUINNGS-INIZCTEOSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000491428582 526814507 /nfs/dbraw/zinc/81/45/07/526814507.db2.gz PPWVNXVUUINNGS-INIZCTEOSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000491536167 526826697 /nfs/dbraw/zinc/82/66/97/526826697.db2.gz IETVIICVJJSNBR-UHFFFAOYSA-N 2 1 318.377 1.468 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000491536167 526826699 /nfs/dbraw/zinc/82/66/99/526826699.db2.gz IETVIICVJJSNBR-UHFFFAOYSA-N 2 1 318.377 1.468 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980240620 696716621 /nfs/dbraw/zinc/71/66/21/696716621.db2.gz PZWWCCNQKNQJTA-BBWFWOEESA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980240620 696716624 /nfs/dbraw/zinc/71/66/24/696716624.db2.gz PZWWCCNQKNQJTA-BBWFWOEESA-N 2 1 316.449 1.984 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000972474817 695259388 /nfs/dbraw/zinc/25/93/88/695259388.db2.gz GBCOZMJQZKWGSR-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000972474817 695259390 /nfs/dbraw/zinc/25/93/90/695259390.db2.gz GBCOZMJQZKWGSR-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992867 695390176 /nfs/dbraw/zinc/39/01/76/695390176.db2.gz VGOVRJWIWJJNTB-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992867 695390177 /nfs/dbraw/zinc/39/01/77/695390177.db2.gz VGOVRJWIWJJNTB-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992867 695390178 /nfs/dbraw/zinc/39/01/78/695390178.db2.gz VGOVRJWIWJJNTB-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992867 695390179 /nfs/dbraw/zinc/39/01/79/695390179.db2.gz VGOVRJWIWJJNTB-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000746212021 700011291 /nfs/dbraw/zinc/01/12/91/700011291.db2.gz JBSYOBZDLQTSCK-NJAFHUGGSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000746212021 700011294 /nfs/dbraw/zinc/01/12/94/700011294.db2.gz JBSYOBZDLQTSCK-NJAFHUGGSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746212021 700011297 /nfs/dbraw/zinc/01/12/97/700011297.db2.gz JBSYOBZDLQTSCK-NJAFHUGGSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746212021 700011300 /nfs/dbraw/zinc/01/13/00/700011300.db2.gz JBSYOBZDLQTSCK-NJAFHUGGSA-N 2 1 315.461 1.559 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974655188 695705084 /nfs/dbraw/zinc/70/50/84/695705084.db2.gz JFJMGGJQSFEUQG-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974655188 695705086 /nfs/dbraw/zinc/70/50/86/695705086.db2.gz JFJMGGJQSFEUQG-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974655188 695705087 /nfs/dbraw/zinc/70/50/87/695705087.db2.gz JFJMGGJQSFEUQG-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974655188 695705090 /nfs/dbraw/zinc/70/50/90/695705090.db2.gz JFJMGGJQSFEUQG-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975050245 695785104 /nfs/dbraw/zinc/78/51/04/695785104.db2.gz LJOZJTKGIAETMT-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975050245 695785102 /nfs/dbraw/zinc/78/51/02/695785102.db2.gz LJOZJTKGIAETMT-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975050245 695785107 /nfs/dbraw/zinc/78/51/07/695785107.db2.gz LJOZJTKGIAETMT-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977217280 696076715 /nfs/dbraw/zinc/07/67/15/696076715.db2.gz RTBUETNXSOKLAS-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCCF)CC2(C)C)CC1 ZINC000977654821 696245712 /nfs/dbraw/zinc/24/57/12/696245712.db2.gz NENDYCAZHFUUBW-INIZCTEOSA-N 2 1 323.456 1.518 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978416349 696379133 /nfs/dbraw/zinc/37/91/33/696379133.db2.gz QCLINZXTOOXKSN-QKDCVEJESA-N 2 1 318.421 1.220 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC000978416349 696379136 /nfs/dbraw/zinc/37/91/36/696379136.db2.gz QCLINZXTOOXKSN-QKDCVEJESA-N 2 1 318.421 1.220 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC000978968862 696481049 /nfs/dbraw/zinc/48/10/49/696481049.db2.gz ZFKQITZUDIUYBD-NNZMDNLPSA-N 2 1 315.461 1.036 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160918 697045621 /nfs/dbraw/zinc/04/56/21/697045621.db2.gz GDJUYXRTRYKTSI-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160918 697045623 /nfs/dbraw/zinc/04/56/23/697045623.db2.gz GDJUYXRTRYKTSI-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982160918 697045625 /nfs/dbraw/zinc/04/56/25/697045625.db2.gz GDJUYXRTRYKTSI-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC000982162635 697045875 /nfs/dbraw/zinc/04/58/75/697045875.db2.gz XFLNIRVAZLEIFP-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000986960198 697960333 /nfs/dbraw/zinc/96/03/33/697960333.db2.gz OMUHDDYGAPNUTG-HIFRSBDPSA-N 2 1 318.421 1.649 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCO[C@H]1CCCC[C@@H]1C ZINC000245879499 698339832 /nfs/dbraw/zinc/33/98/32/698339832.db2.gz ABAKASINDBWDLE-XHSDSOJGSA-N 2 1 310.486 1.970 20 30 DDEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@H]1CCCO1 ZINC000248829196 698381719 /nfs/dbraw/zinc/38/17/19/698381719.db2.gz DRFJHOOFSFVGDT-IAGOWNOFSA-N 2 1 316.449 1.592 20 30 DDEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262782185 698479769 /nfs/dbraw/zinc/47/97/69/698479769.db2.gz LMXOBKRBFOZJLW-ZVZYQTTQSA-N 2 1 322.497 1.719 20 30 DDEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262782185 698479773 /nfs/dbraw/zinc/47/97/73/698479773.db2.gz LMXOBKRBFOZJLW-ZVZYQTTQSA-N 2 1 322.497 1.719 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN(C)c1ccccc1 ZINC000303770135 698605586 /nfs/dbraw/zinc/60/55/86/698605586.db2.gz BPTWOBXAINUGHG-KRWDZBQOSA-N 2 1 317.481 1.902 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1C(C)C ZINC000304751977 698624475 /nfs/dbraw/zinc/62/44/75/698624475.db2.gz JTWFVESTSALHLV-XHSDSOJGSA-N 2 1 310.486 1.826 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990691316 699133781 /nfs/dbraw/zinc/13/37/81/699133781.db2.gz USUZARVHEIMNIW-SOLBZPMBSA-N 2 1 301.434 1.075 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CCC[N@H+]1CCCO ZINC000849034615 703613575 /nfs/dbraw/zinc/61/35/75/703613575.db2.gz ZWYDJVHSLZCEHX-QGZVFWFLSA-N 2 1 318.465 1.541 20 30 DDEDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852863817 704152884 /nfs/dbraw/zinc/15/28/84/704152884.db2.gz RQTQVKRQXMBNFZ-QGZVFWFLSA-N 2 1 305.466 1.760 20 30 DDEDMP Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000855347220 704480063 /nfs/dbraw/zinc/48/00/63/704480063.db2.gz YWCNOCQMXXYTCY-HNNXBMFYSA-N 2 1 316.449 1.869 20 30 DDEDMP Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000855347220 704480064 /nfs/dbraw/zinc/48/00/64/704480064.db2.gz YWCNOCQMXXYTCY-HNNXBMFYSA-N 2 1 316.449 1.869 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876716456 705835699 /nfs/dbraw/zinc/83/56/99/705835699.db2.gz GFJCGJVFXRCJOU-FRRDWIJNSA-N 2 1 303.834 1.072 20 30 DDEDMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877450865 706110057 /nfs/dbraw/zinc/11/00/57/706110057.db2.gz HCJUNOUSIDXVPQ-RCCFBDPRSA-N 2 1 324.428 1.440 20 30 DDEDMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877450865 706110060 /nfs/dbraw/zinc/11/00/60/706110060.db2.gz HCJUNOUSIDXVPQ-RCCFBDPRSA-N 2 1 324.428 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000884199471 708185019 /nfs/dbraw/zinc/18/50/19/708185019.db2.gz AKUFGNOOPAYBNI-SJORKVTESA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000884199471 708185020 /nfs/dbraw/zinc/18/50/20/708185020.db2.gz AKUFGNOOPAYBNI-SJORKVTESA-N 2 1 320.481 1.505 20 30 DDEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CCCC1 ZINC000884212525 708192881 /nfs/dbraw/zinc/19/28/81/708192881.db2.gz HLNHKKZNUOFNDL-UUCFBXCCSA-N 2 1 304.438 1.116 20 30 DDEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884316282 708240802 /nfs/dbraw/zinc/24/08/02/708240802.db2.gz OETDPQJGLJRWNG-MYPHYYIGSA-N 2 1 316.449 1.068 20 30 DDEDMP COCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)CC1CC[NH+](C)CC1 ZINC000886303824 708738693 /nfs/dbraw/zinc/73/86/93/708738693.db2.gz HBZSLWFNGZJQHH-QGZVFWFLSA-N 2 1 323.481 1.721 20 30 DDEDMP C#CC[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](CC#C)C3)COC2)C1 ZINC000886362660 708749538 /nfs/dbraw/zinc/74/95/38/708749538.db2.gz INTHYFLYFVZPFO-ROUUACIJSA-N 2 1 300.446 1.693 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000888167886 709231583 /nfs/dbraw/zinc/23/15/83/709231583.db2.gz NKNHLTNBNXAWQA-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000888167886 709231585 /nfs/dbraw/zinc/23/15/85/709231585.db2.gz NKNHLTNBNXAWQA-DLBZAZTESA-N 2 1 320.481 1.504 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000907806047 712629189 /nfs/dbraw/zinc/62/91/89/712629189.db2.gz QLOALOZXQORDAJ-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000916858381 713470633 /nfs/dbraw/zinc/47/06/33/713470633.db2.gz RBHMRIDLDFOEKE-AWEZNQCLSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC1CC[NH+](CC(=O)NC[C@@H](C)[NH+]2CCC(C#C)CC2)CC1 ZINC000930821777 713928815 /nfs/dbraw/zinc/92/88/15/713928815.db2.gz PDSIJMRPRIFFCE-MRXNPFEDSA-N 2 1 315.461 1.182 20 30 DDEDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000923372545 714332353 /nfs/dbraw/zinc/33/23/53/714332353.db2.gz HZFWKEXOZKDYIZ-GKLJAUDBSA-N 2 1 303.406 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000923563629 714405988 /nfs/dbraw/zinc/40/59/88/714405988.db2.gz IMLYCDTYUTVYNH-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000923563629 714405989 /nfs/dbraw/zinc/40/59/89/714405989.db2.gz IMLYCDTYUTVYNH-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000923563629 714405992 /nfs/dbraw/zinc/40/59/92/714405992.db2.gz IMLYCDTYUTVYNH-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000923563629 714405995 /nfs/dbraw/zinc/40/59/95/714405995.db2.gz IMLYCDTYUTVYNH-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942822691 717878828 /nfs/dbraw/zinc/87/88/28/717878828.db2.gz NGXFMXIFDQWOEP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942822691 717878832 /nfs/dbraw/zinc/87/88/32/717878832.db2.gz NGXFMXIFDQWOEP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942822691 717878835 /nfs/dbraw/zinc/87/88/35/717878835.db2.gz NGXFMXIFDQWOEP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944153642 718262567 /nfs/dbraw/zinc/26/25/67/718262567.db2.gz IQTYKUUCBGGGLQ-JSGCOSHPSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944153642 718262569 /nfs/dbraw/zinc/26/25/69/718262569.db2.gz IQTYKUUCBGGGLQ-JSGCOSHPSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C)C[C@H]2C)CC1 ZINC000945178192 718415016 /nfs/dbraw/zinc/41/50/16/718415016.db2.gz FHKSXXVKXJWUJG-NVXWUHKLSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623853 718856177 /nfs/dbraw/zinc/85/61/77/718856177.db2.gz RBGCKUMIMCOHBJ-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000947318771 719117755 /nfs/dbraw/zinc/11/77/55/719117755.db2.gz LKDHMTOWSAYJCH-CABCVRRESA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)[C@H](C)C2)CC1 ZINC000948070264 719349531 /nfs/dbraw/zinc/34/95/31/719349531.db2.gz OIGGUCATRBDBKO-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000948434368 719497242 /nfs/dbraw/zinc/49/72/42/719497242.db2.gz BPZFPQRVNDELSI-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434368 719497245 /nfs/dbraw/zinc/49/72/45/719497245.db2.gz BPZFPQRVNDELSI-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434368 719497246 /nfs/dbraw/zinc/49/72/46/719497246.db2.gz BPZFPQRVNDELSI-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC000949189097 719948789 /nfs/dbraw/zinc/94/87/89/719948789.db2.gz HKJIDOQHJMOECA-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000949395260 720060035 /nfs/dbraw/zinc/06/00/35/720060035.db2.gz QIXYTQVUGBSPCQ-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC000949473191 720111653 /nfs/dbraw/zinc/11/16/53/720111653.db2.gz WAVSXMDYEMTQRD-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000949473191 720111655 /nfs/dbraw/zinc/11/16/55/720111655.db2.gz WAVSXMDYEMTQRD-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000949473191 720111657 /nfs/dbraw/zinc/11/16/57/720111657.db2.gz WAVSXMDYEMTQRD-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC000949473191 720111658 /nfs/dbraw/zinc/11/16/58/720111658.db2.gz WAVSXMDYEMTQRD-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969833371 720525402 /nfs/dbraw/zinc/52/54/02/720525402.db2.gz MNVYTERPRNBRLT-CVEARBPZSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023553065 735307896 /nfs/dbraw/zinc/30/78/96/735307896.db2.gz UZYBFMZRDNHFSK-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023553065 735307899 /nfs/dbraw/zinc/30/78/99/735307899.db2.gz UZYBFMZRDNHFSK-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023553065 735307904 /nfs/dbraw/zinc/30/79/04/735307904.db2.gz UZYBFMZRDNHFSK-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560558 735310874 /nfs/dbraw/zinc/31/08/74/735310874.db2.gz SVUHZWRCVRPYDT-AWEZNQCLSA-N 2 1 305.422 1.969 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023560135 735311134 /nfs/dbraw/zinc/31/11/34/735311134.db2.gz MKXXGASUSFYKBK-AWEZNQCLSA-N 2 1 303.406 1.416 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001023757501 735442565 /nfs/dbraw/zinc/44/25/65/735442565.db2.gz IFCGLEUFFVYXHO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023757501 735442567 /nfs/dbraw/zinc/44/25/67/735442567.db2.gz IFCGLEUFFVYXHO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757501 735442568 /nfs/dbraw/zinc/44/25/68/735442568.db2.gz IFCGLEUFFVYXHO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757501 735442570 /nfs/dbraw/zinc/44/25/70/735442570.db2.gz IFCGLEUFFVYXHO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757501 735442572 /nfs/dbraw/zinc/44/25/72/735442572.db2.gz IFCGLEUFFVYXHO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001020661100 732611784 /nfs/dbraw/zinc/61/17/84/732611784.db2.gz VLOBUSFPAXNOFN-JOCQHMNTSA-N 2 1 310.829 1.996 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001020722692 732645457 /nfs/dbraw/zinc/64/54/57/732645457.db2.gz SATSVKRZWZHXRS-ZQDZILKHSA-N 2 1 311.857 1.993 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039126085 732817541 /nfs/dbraw/zinc/81/75/41/732817541.db2.gz IJYVXZYPJWPOBL-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039126085 732817542 /nfs/dbraw/zinc/81/75/42/732817542.db2.gz IJYVXZYPJWPOBL-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039126085 732817546 /nfs/dbraw/zinc/81/75/46/732817546.db2.gz IJYVXZYPJWPOBL-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)CC1 ZINC001021469532 733223755 /nfs/dbraw/zinc/22/37/55/733223755.db2.gz FVUWYAMMPRRKIP-ALOPSCKCSA-N 2 1 321.440 1.413 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604071 733361500 /nfs/dbraw/zinc/36/15/00/733361500.db2.gz ASNXGVPJOQOKMH-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247207 733367207 /nfs/dbraw/zinc/36/72/07/733367207.db2.gz UVWPOAQZWSFNDQ-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261102 782429170 /nfs/dbraw/zinc/42/91/70/782429170.db2.gz ORVABZJQLBHPMM-APUKJBRXSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024530287 735903292 /nfs/dbraw/zinc/90/32/92/735903292.db2.gz DKJJHABGKQSEED-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087317098 736079603 /nfs/dbraw/zinc/07/96/03/736079603.db2.gz CQCRYXCRQZNVBQ-KBAYOESNSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028872446 740128144 /nfs/dbraw/zinc/12/81/44/740128144.db2.gz GWZMPCUSJAEOKP-MRXNPFEDSA-N 2 1 301.434 1.986 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001019771402 736919096 /nfs/dbraw/zinc/91/90/96/736919096.db2.gz LVEKKIIQFCDBPU-NEPJUHHUSA-N 2 1 316.243 1.037 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001038365369 737396224 /nfs/dbraw/zinc/39/62/24/737396224.db2.gz BVVSRIKMDOEOBF-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771786 738029416 /nfs/dbraw/zinc/02/94/16/738029416.db2.gz VJDRNFGUPOYZCK-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771786 738029419 /nfs/dbraw/zinc/02/94/19/738029419.db2.gz VJDRNFGUPOYZCK-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008771786 738029423 /nfs/dbraw/zinc/02/94/23/738029423.db2.gz VJDRNFGUPOYZCK-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008771786 738029424 /nfs/dbraw/zinc/02/94/24/738029424.db2.gz VJDRNFGUPOYZCK-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027446236 738301363 /nfs/dbraw/zinc/30/13/63/738301363.db2.gz CEHXDUZZKPZKHV-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CCC2)C1 ZINC001027446236 738301365 /nfs/dbraw/zinc/30/13/65/738301365.db2.gz CEHXDUZZKPZKHV-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027446236 738301369 /nfs/dbraw/zinc/30/13/69/738301369.db2.gz CEHXDUZZKPZKHV-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCC2)C1 ZINC001027446236 738301372 /nfs/dbraw/zinc/30/13/72/738301372.db2.gz CEHXDUZZKPZKHV-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CCC2)C1 ZINC001027446236 738301376 /nfs/dbraw/zinc/30/13/76/738301376.db2.gz CEHXDUZZKPZKHV-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001028601586 739779371 /nfs/dbraw/zinc/77/93/71/739779371.db2.gz QSRSKMZJCVVNTI-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001028601586 739779374 /nfs/dbraw/zinc/77/93/74/739779374.db2.gz QSRSKMZJCVVNTI-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001028601586 739779377 /nfs/dbraw/zinc/77/93/77/739779377.db2.gz QSRSKMZJCVVNTI-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC=C(C)C)C1 ZINC001028601586 739779380 /nfs/dbraw/zinc/77/93/80/739779380.db2.gz QSRSKMZJCVVNTI-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028625618 739800164 /nfs/dbraw/zinc/80/01/64/739800164.db2.gz VWXGEZSVTKREFY-MRXNPFEDSA-N 2 1 303.450 1.324 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766814 740010123 /nfs/dbraw/zinc/01/01/23/740010123.db2.gz DMURYCHLSHITST-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766814 740010129 /nfs/dbraw/zinc/01/01/29/740010129.db2.gz DMURYCHLSHITST-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161643990 740248911 /nfs/dbraw/zinc/24/89/11/740248911.db2.gz GMFORVBWSLCIQE-INIZCTEOSA-N 2 1 311.470 1.405 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CC ZINC001037878090 751527185 /nfs/dbraw/zinc/52/71/85/751527185.db2.gz XAJZANZOCHLQRS-HZPDHXFCSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798844 740551062 /nfs/dbraw/zinc/55/10/62/740551062.db2.gz QKBSGZSQVZOHDV-GVDBMIGSSA-N 2 1 303.450 1.437 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)[C@H]1CC ZINC001087601647 740673172 /nfs/dbraw/zinc/67/31/72/740673172.db2.gz DCFDJUCNEZJWAL-ARFHVFGLSA-N 2 1 314.433 1.753 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601647 740673174 /nfs/dbraw/zinc/67/31/74/740673174.db2.gz DCFDJUCNEZJWAL-ARFHVFGLSA-N 2 1 314.433 1.753 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087703026 740714375 /nfs/dbraw/zinc/71/43/75/740714375.db2.gz DWQGAVPXEZNYSK-BHYGNILZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087703026 740714378 /nfs/dbraw/zinc/71/43/78/740714378.db2.gz DWQGAVPXEZNYSK-BHYGNILZSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCF)CC1 ZINC001029596160 741130358 /nfs/dbraw/zinc/13/03/58/741130358.db2.gz BUAKIFUYUGWIAF-CALCHBBNSA-N 2 1 321.440 1.366 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881493 741643758 /nfs/dbraw/zinc/64/37/58/741643758.db2.gz VJBFPVSDASIVCJ-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433574 742179695 /nfs/dbraw/zinc/17/96/95/742179695.db2.gz KXYHBBJDLYEHBG-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433574 742179698 /nfs/dbraw/zinc/17/96/98/742179698.db2.gz KXYHBBJDLYEHBG-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433574 742179702 /nfs/dbraw/zinc/17/97/02/742179702.db2.gz KXYHBBJDLYEHBG-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001075967868 742289537 /nfs/dbraw/zinc/28/95/37/742289537.db2.gz VENSRUCTPBUALM-HRCADAONSA-N 2 1 312.417 1.002 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001075967762 742289649 /nfs/dbraw/zinc/28/96/49/742289649.db2.gz UYAWGXBQCSBGDD-ZMSDIMECSA-N 2 1 312.417 1.002 20 30 DDEDMP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001032628552 751724549 /nfs/dbraw/zinc/72/45/49/751724549.db2.gz HCIUZYSFFNZFBI-PVAVHDDUSA-N 2 1 314.433 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076205011 742601560 /nfs/dbraw/zinc/60/15/60/742601560.db2.gz JPUKDGROPOKCAT-LSDHHAIUSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076205011 742601562 /nfs/dbraw/zinc/60/15/62/742601562.db2.gz JPUKDGROPOKCAT-LSDHHAIUSA-N 2 1 311.857 1.613 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009183 743021877 /nfs/dbraw/zinc/02/18/77/743021877.db2.gz RLDYNFSLIWXUSG-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009183 743021884 /nfs/dbraw/zinc/02/18/84/743021884.db2.gz RLDYNFSLIWXUSG-JFIYKMOQSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCN1CC(OC2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001105733533 743768572 /nfs/dbraw/zinc/76/85/72/743768572.db2.gz GDBPAKXILWPHTD-UHFFFAOYSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183516906 743846233 /nfs/dbraw/zinc/84/62/33/743846233.db2.gz DZUZNCDBRQAKRH-ZIFCJYIRSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183516905 743846246 /nfs/dbraw/zinc/84/62/46/743846246.db2.gz DZUZNCDBRQAKRH-ZHALLVOQSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]3CCC[N@H+]31)CC2 ZINC001035815047 751916852 /nfs/dbraw/zinc/91/68/52/751916852.db2.gz YHGFARDTJOGYJJ-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035851522 751922415 /nfs/dbraw/zinc/92/24/15/751922415.db2.gz PERCLOYSWTUDKK-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCC)CC3)CC1 ZINC000992505036 744924896 /nfs/dbraw/zinc/92/48/96/744924896.db2.gz HIWAUIBOBTWMMO-PKOBYXMFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000992778535 745193495 /nfs/dbraw/zinc/19/34/95/745193495.db2.gz ZKNSQEYHIKYDLP-BZUAXINKSA-N 2 1 302.422 1.594 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001191011275 745403483 /nfs/dbraw/zinc/40/34/83/745403483.db2.gz SNAPGJDRHRCLTJ-HOTGVXAUSA-N 2 1 316.449 1.944 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383267 745488978 /nfs/dbraw/zinc/48/89/78/745488978.db2.gz RYUXSIHIDMGCDR-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383267 745488980 /nfs/dbraw/zinc/48/89/80/745488980.db2.gz RYUXSIHIDMGCDR-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357843 745626281 /nfs/dbraw/zinc/62/62/81/745626281.db2.gz NZXBRJXBDAGPHK-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001192342431 745758995 /nfs/dbraw/zinc/75/89/95/745758995.db2.gz DYLSQMHNCPBXED-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342431 745758999 /nfs/dbraw/zinc/75/89/99/745758999.db2.gz DYLSQMHNCPBXED-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342431 745759004 /nfs/dbraw/zinc/75/90/04/745759004.db2.gz DYLSQMHNCPBXED-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993525574 746196670 /nfs/dbraw/zinc/19/66/70/746196670.db2.gz FIIWJNNGZFYZFI-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001194247340 746320575 /nfs/dbraw/zinc/32/05/75/746320575.db2.gz WWPSWRQCQYBQHO-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001195405313 746591701 /nfs/dbraw/zinc/59/17/01/746591701.db2.gz YCGZOEOQNQMMGO-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001195405313 746591703 /nfs/dbraw/zinc/59/17/03/746591703.db2.gz YCGZOEOQNQMMGO-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195405313 746591705 /nfs/dbraw/zinc/59/17/05/746591705.db2.gz YCGZOEOQNQMMGO-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195405313 746591706 /nfs/dbraw/zinc/59/17/06/746591706.db2.gz YCGZOEOQNQMMGO-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC=C)[C@@H]2C)CC1 ZINC000994500350 746696537 /nfs/dbraw/zinc/69/65/37/746696537.db2.gz RDWCHOGULGUXEB-SJLPKXTDSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCCC=C)CC2)CC1 ZINC001198236088 747422805 /nfs/dbraw/zinc/42/28/05/747422805.db2.gz ATWVJEKCTUFXNW-UHFFFAOYSA-N 2 1 317.477 1.832 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001031742469 747634706 /nfs/dbraw/zinc/63/47/06/747634706.db2.gz GEFQHVBMZKKWKB-KRWDZBQOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001031742469 747634718 /nfs/dbraw/zinc/63/47/18/747634718.db2.gz GEFQHVBMZKKWKB-KRWDZBQOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031977679 748344931 /nfs/dbraw/zinc/34/49/31/748344931.db2.gz GFVZNUPIVATEBU-OAHLLOKOSA-N 2 1 302.422 1.378 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805080 748351002 /nfs/dbraw/zinc/35/10/02/748351002.db2.gz IXAOGGSLFQKQMO-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993456 748375407 /nfs/dbraw/zinc/37/54/07/748375407.db2.gz NIXRQWNTUWOYTB-MSOLQXFVSA-N 2 1 311.429 1.013 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993456 748375416 /nfs/dbraw/zinc/37/54/16/748375416.db2.gz NIXRQWNTUWOYTB-MSOLQXFVSA-N 2 1 311.429 1.013 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCC)CC1 ZINC001201094002 748408280 /nfs/dbraw/zinc/40/82/80/748408280.db2.gz LUSHCPUYPACSPL-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCC)CC1 ZINC001201094002 748408283 /nfs/dbraw/zinc/40/82/83/748408283.db2.gz LUSHCPUYPACSPL-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004457799 748448968 /nfs/dbraw/zinc/44/89/68/748448968.db2.gz LTOULBWSUFCJGW-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004457799 748448974 /nfs/dbraw/zinc/44/89/74/748448974.db2.gz LTOULBWSUFCJGW-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004457799 748448979 /nfs/dbraw/zinc/44/89/79/748448979.db2.gz LTOULBWSUFCJGW-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201931725 748629601 /nfs/dbraw/zinc/62/96/01/748629601.db2.gz OIEYIJBVMBMOOO-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202165686 748702662 /nfs/dbraw/zinc/70/26/62/748702662.db2.gz SNYKPNVCIUMFIE-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366367 749254321 /nfs/dbraw/zinc/25/43/21/749254321.db2.gz QJQHOARSNVGNIM-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366367 749254326 /nfs/dbraw/zinc/25/43/26/749254326.db2.gz QJQHOARSNVGNIM-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC1(C)C ZINC000995984446 749316721 /nfs/dbraw/zinc/31/67/21/749316721.db2.gz JJMMFLJFBGODDM-OAHLLOKOSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418100 749316927 /nfs/dbraw/zinc/31/69/27/749316927.db2.gz ZURCFUGPIADTLN-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418100 749316931 /nfs/dbraw/zinc/31/69/31/749316931.db2.gz ZURCFUGPIADTLN-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033417981 749317372 /nfs/dbraw/zinc/31/73/72/749317372.db2.gz YOLAVCFAOUOSOZ-LSDHHAIUSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033417981 749317377 /nfs/dbraw/zinc/31/73/77/749317377.db2.gz YOLAVCFAOUOSOZ-LSDHHAIUSA-N 2 1 302.422 1.473 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001033684787 749714973 /nfs/dbraw/zinc/71/49/73/749714973.db2.gz QOJJRYPALLPZCQ-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001033686286 749716777 /nfs/dbraw/zinc/71/67/77/749716777.db2.gz CBDSRYNODWWHKZ-INIZCTEOSA-N 2 1 309.429 1.224 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039376221 761977588 /nfs/dbraw/zinc/97/75/88/761977588.db2.gz ODGIEZBLIBIAPI-IKGGRYGDSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000996618944 749794077 /nfs/dbraw/zinc/79/40/77/749794077.db2.gz HXHJLZBWNOPWHE-MRXNPFEDSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000996618944 749794083 /nfs/dbraw/zinc/79/40/83/749794083.db2.gz HXHJLZBWNOPWHE-MRXNPFEDSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000996669612 749887521 /nfs/dbraw/zinc/88/75/21/749887521.db2.gz QGNIONLOILNZCW-KRWDZBQOSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005383567 749936407 /nfs/dbraw/zinc/93/64/07/749936407.db2.gz JBKHMNXLMRPTHQ-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107567955 750154222 /nfs/dbraw/zinc/15/42/22/750154222.db2.gz OVBWYKGQGGPWPQ-IEBWSBKVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039437141 762032308 /nfs/dbraw/zinc/03/23/08/762032308.db2.gz CHKJCCBYCJARLI-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437141 762032315 /nfs/dbraw/zinc/03/23/15/762032315.db2.gz CHKJCCBYCJARLI-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437141 762032324 /nfs/dbraw/zinc/03/23/24/762032324.db2.gz CHKJCCBYCJARLI-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034535003 750536034 /nfs/dbraw/zinc/53/60/34/750536034.db2.gz QTGJMXGVYZDFCI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535003 750536035 /nfs/dbraw/zinc/53/60/35/750536035.db2.gz QTGJMXGVYZDFCI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535003 750536036 /nfs/dbraw/zinc/53/60/36/750536036.db2.gz QTGJMXGVYZDFCI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535003 750536037 /nfs/dbraw/zinc/53/60/37/750536037.db2.gz QTGJMXGVYZDFCI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001034734034 750781050 /nfs/dbraw/zinc/78/10/50/750781050.db2.gz HRISXMLOSTVJHP-IIDMSEBBSA-N 2 1 323.456 1.849 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114630298 750884659 /nfs/dbraw/zinc/88/46/59/750884659.db2.gz XPNZGDSXHWSDTR-QLPKVWCKSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108420913 762122644 /nfs/dbraw/zinc/12/26/44/762122644.db2.gz CCIDQOHEKCNOAK-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108420913 762122648 /nfs/dbraw/zinc/12/26/48/762122648.db2.gz CCIDQOHEKCNOAK-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108420913 762122653 /nfs/dbraw/zinc/12/26/53/762122653.db2.gz CCIDQOHEKCNOAK-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684298 752717968 /nfs/dbraw/zinc/71/79/68/752717968.db2.gz KADCJXOPJDDDOS-ROUUACIJSA-N 2 1 311.429 1.670 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000999301038 752809596 /nfs/dbraw/zinc/80/95/96/752809596.db2.gz RBBGGIMNNIKERJ-HLIUYOAVSA-N 2 1 302.422 1.519 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000999315509 752821447 /nfs/dbraw/zinc/82/14/47/752821447.db2.gz DUZQXBYJIKCRLY-UQPPLGOBSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999369018 752871901 /nfs/dbraw/zinc/87/19/01/752871901.db2.gz IMINYKPOWVQJPI-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCCC)CC1 ZINC001000786832 762201259 /nfs/dbraw/zinc/20/12/59/762201259.db2.gz AAZLXFPBXDXGHU-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCCC)CC1 ZINC001000786832 762201265 /nfs/dbraw/zinc/20/12/65/762201265.db2.gz AAZLXFPBXDXGHU-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCC)CC1 ZINC001000786832 762201271 /nfs/dbraw/zinc/20/12/71/762201271.db2.gz AAZLXFPBXDXGHU-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCC)CC1 ZINC001000786832 762201277 /nfs/dbraw/zinc/20/12/77/762201277.db2.gz AAZLXFPBXDXGHU-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005870945 753285844 /nfs/dbraw/zinc/28/58/44/753285844.db2.gz WSSMOXBAEILGBB-KRWDZBQOSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005870945 753285847 /nfs/dbraw/zinc/28/58/47/753285847.db2.gz WSSMOXBAEILGBB-KRWDZBQOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001009631429 753289469 /nfs/dbraw/zinc/28/94/69/753289469.db2.gz YIZIBIDJRXHMNF-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144804 755748969 /nfs/dbraw/zinc/74/89/69/755748969.db2.gz SYXKIQLYQASVHH-GDBMZVCRSA-N 2 1 314.433 1.222 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080144804 755748972 /nfs/dbraw/zinc/74/89/72/755748972.db2.gz SYXKIQLYQASVHH-GDBMZVCRSA-N 2 1 314.433 1.222 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015704960 756479931 /nfs/dbraw/zinc/47/99/31/756479931.db2.gz GNKODYXFQZNWKV-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015704960 756479936 /nfs/dbraw/zinc/47/99/36/756479936.db2.gz GNKODYXFQZNWKV-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001081948405 756559949 /nfs/dbraw/zinc/55/99/49/756559949.db2.gz XPUPMTRVPVIGHQ-HZPDHXFCSA-N 2 1 314.389 1.339 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087538 757128360 /nfs/dbraw/zinc/12/83/60/757128360.db2.gz PIPWGNDWIUOVKD-VVLHAWIVSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087538 757128363 /nfs/dbraw/zinc/12/83/63/757128363.db2.gz PIPWGNDWIUOVKD-VVLHAWIVSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001083087538 757128365 /nfs/dbraw/zinc/12/83/65/757128365.db2.gz PIPWGNDWIUOVKD-VVLHAWIVSA-N 2 1 321.465 1.204 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040396244 762524249 /nfs/dbraw/zinc/52/42/49/762524249.db2.gz UFHZTBCUCPHBOZ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396244 762524254 /nfs/dbraw/zinc/52/42/54/762524254.db2.gz UFHZTBCUCPHBOZ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396244 762524260 /nfs/dbraw/zinc/52/42/60/762524260.db2.gz UFHZTBCUCPHBOZ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545594 757655523 /nfs/dbraw/zinc/65/55/23/757655523.db2.gz PZNANAFVLGOYCL-KZNAEPCWSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052716281 757681284 /nfs/dbraw/zinc/68/12/84/757681284.db2.gz LEJLBANKRGXLGI-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052716281 757681287 /nfs/dbraw/zinc/68/12/87/757681287.db2.gz LEJLBANKRGXLGI-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001052716281 757681292 /nfs/dbraw/zinc/68/12/92/757681292.db2.gz LEJLBANKRGXLGI-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084834050 757961204 /nfs/dbraw/zinc/96/12/04/757961204.db2.gz IHNFKHYCTUCWTP-BRWVUGGUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084833940 757961437 /nfs/dbraw/zinc/96/14/37/757961437.db2.gz CLHPSGYQPQEKLY-GVDBMIGSSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947523 757995305 /nfs/dbraw/zinc/99/53/05/757995305.db2.gz RVSCLZUWIKSYCR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947523 757995313 /nfs/dbraw/zinc/99/53/13/757995313.db2.gz RVSCLZUWIKSYCR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947523 757995321 /nfs/dbraw/zinc/99/53/21/757995321.db2.gz RVSCLZUWIKSYCR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052947523 757995328 /nfs/dbraw/zinc/99/53/28/757995328.db2.gz RVSCLZUWIKSYCR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948248 757997736 /nfs/dbraw/zinc/99/77/36/757997736.db2.gz ZKLQKSHRYSXKMW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948248 757997743 /nfs/dbraw/zinc/99/77/43/757997743.db2.gz ZKLQKSHRYSXKMW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948248 757997748 /nfs/dbraw/zinc/99/77/48/757997748.db2.gz ZKLQKSHRYSXKMW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001052948248 757997752 /nfs/dbraw/zinc/99/77/52/757997752.db2.gz ZKLQKSHRYSXKMW-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001149935 762593541 /nfs/dbraw/zinc/59/35/41/762593541.db2.gz CMEGYVRIHLLTNG-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001149935 762593546 /nfs/dbraw/zinc/59/35/46/762593546.db2.gz CMEGYVRIHLLTNG-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001149935 762593551 /nfs/dbraw/zinc/59/35/51/762593551.db2.gz CMEGYVRIHLLTNG-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938841 758081390 /nfs/dbraw/zinc/08/13/90/758081390.db2.gz HJOZQTURMDTXFW-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938841 758081393 /nfs/dbraw/zinc/08/13/93/758081393.db2.gz HJOZQTURMDTXFW-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938841 758081399 /nfs/dbraw/zinc/08/13/99/758081399.db2.gz HJOZQTURMDTXFW-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCCC)[C@H]2C1 ZINC001084960980 758103782 /nfs/dbraw/zinc/10/37/82/758103782.db2.gz CRSQMYWFCXDSGV-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001084960980 758103786 /nfs/dbraw/zinc/10/37/86/758103786.db2.gz CRSQMYWFCXDSGV-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC)[C@H]2C1 ZINC001084960980 758103795 /nfs/dbraw/zinc/10/37/95/758103795.db2.gz CRSQMYWFCXDSGV-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCCC)[C@H]2C1 ZINC001084960980 758103807 /nfs/dbraw/zinc/10/38/07/758103807.db2.gz CRSQMYWFCXDSGV-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970303 758112313 /nfs/dbraw/zinc/11/23/13/758112313.db2.gz YUHJFBUIZPQTSC-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970303 758112319 /nfs/dbraw/zinc/11/23/19/758112319.db2.gz YUHJFBUIZPQTSC-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970303 758112325 /nfs/dbraw/zinc/11/23/25/758112325.db2.gz YUHJFBUIZPQTSC-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970303 758112332 /nfs/dbraw/zinc/11/23/32/758112332.db2.gz YUHJFBUIZPQTSC-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429255 758455909 /nfs/dbraw/zinc/45/59/09/758455909.db2.gz JSJWMGMURTZTPP-CVEARBPZSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429255 758455912 /nfs/dbraw/zinc/45/59/12/758455912.db2.gz JSJWMGMURTZTPP-CVEARBPZSA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054100387 759166159 /nfs/dbraw/zinc/16/61/59/759166159.db2.gz ZIURBNJGHZFOOF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054100387 759166163 /nfs/dbraw/zinc/16/61/63/759166163.db2.gz ZIURBNJGHZFOOF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001054100387 759166169 /nfs/dbraw/zinc/16/61/69/759166169.db2.gz ZIURBNJGHZFOOF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198371 759285560 /nfs/dbraw/zinc/28/55/60/759285560.db2.gz WSDGRAWVYNRSCA-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054198371 759285563 /nfs/dbraw/zinc/28/55/63/759285563.db2.gz WSDGRAWVYNRSCA-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054198371 759285568 /nfs/dbraw/zinc/28/55/68/759285568.db2.gz WSDGRAWVYNRSCA-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001054244001 759335324 /nfs/dbraw/zinc/33/53/24/759335324.db2.gz SAFDHJSGQQXJBR-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001054244001 759335334 /nfs/dbraw/zinc/33/53/34/759335334.db2.gz SAFDHJSGQQXJBR-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001054244001 759335346 /nfs/dbraw/zinc/33/53/46/759335346.db2.gz SAFDHJSGQQXJBR-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001054244001 759335356 /nfs/dbraw/zinc/33/53/56/759335356.db2.gz SAFDHJSGQQXJBR-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(=C)C ZINC001085648197 759948798 /nfs/dbraw/zinc/94/87/98/759948798.db2.gz GMUCAKYJUNKFFH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(=C)C ZINC001085648197 759948800 /nfs/dbraw/zinc/94/88/00/759948800.db2.gz GMUCAKYJUNKFFH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(=C)C ZINC001085648197 759948802 /nfs/dbraw/zinc/94/88/02/759948802.db2.gz GMUCAKYJUNKFFH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(=C)C ZINC001085648197 759948803 /nfs/dbraw/zinc/94/88/03/759948803.db2.gz GMUCAKYJUNKFFH-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019777177 760241517 /nfs/dbraw/zinc/24/15/17/760241517.db2.gz WXKVLAGFLSMWRT-KRWDZBQOSA-N 2 1 323.400 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC=C(C)C)C2)CC1 ZINC001046850629 767983923 /nfs/dbraw/zinc/98/39/23/767983923.db2.gz YRGQTHAIFBUIHM-IBGZPJMESA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038647432 761247713 /nfs/dbraw/zinc/24/77/13/761247713.db2.gz SRZHMTMYOQLGQJ-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038647432 761247720 /nfs/dbraw/zinc/24/77/20/761247720.db2.gz SRZHMTMYOQLGQJ-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241894 761879605 /nfs/dbraw/zinc/87/96/05/761879605.db2.gz KBKBSNVXBBQDTI-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001001424707 762851613 /nfs/dbraw/zinc/85/16/13/762851613.db2.gz LJXMCXWODJWXMI-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041352699 762975836 /nfs/dbraw/zinc/97/58/36/762975836.db2.gz APGQWKOFCNTYOO-QGZVFWFLSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050046428 763058975 /nfs/dbraw/zinc/05/89/75/763058975.db2.gz CVVWYURLCAMZSA-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046428 763058982 /nfs/dbraw/zinc/05/89/82/763058982.db2.gz CVVWYURLCAMZSA-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046428 763058985 /nfs/dbraw/zinc/05/89/85/763058985.db2.gz CVVWYURLCAMZSA-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828717 763379750 /nfs/dbraw/zinc/37/97/50/763379750.db2.gz GAXCAUCVLWGMNU-ZBFHGGJFSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041828717 763379760 /nfs/dbraw/zinc/37/97/60/763379760.db2.gz GAXCAUCVLWGMNU-ZBFHGGJFSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041828717 763379771 /nfs/dbraw/zinc/37/97/71/763379771.db2.gz GAXCAUCVLWGMNU-ZBFHGGJFSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041828717 763379781 /nfs/dbraw/zinc/37/97/81/763379781.db2.gz GAXCAUCVLWGMNU-ZBFHGGJFSA-N 2 1 311.857 1.615 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C(C)C)C3)C2)CC1 ZINC001041844534 763401810 /nfs/dbraw/zinc/40/18/10/763401810.db2.gz KFUJKJQQIVBACP-LJQANCHMSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042158535 763723607 /nfs/dbraw/zinc/72/36/07/763723607.db2.gz YTDMMAKCUOUPKD-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042158535 763723611 /nfs/dbraw/zinc/72/36/11/763723611.db2.gz YTDMMAKCUOUPKD-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521749 768166247 /nfs/dbraw/zinc/16/62/47/768166247.db2.gz FOMOGLYMALZXRJ-UPTPFMHGSA-N 2 1 323.481 1.526 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563841 764407130 /nfs/dbraw/zinc/40/71/30/764407130.db2.gz QBTQAOIRGGHFRC-RYRKJORJSA-N 2 1 303.450 1.180 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131682026 768259453 /nfs/dbraw/zinc/25/94/53/768259453.db2.gz LPSRBSVXKJVXST-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131683601 768260088 /nfs/dbraw/zinc/26/00/88/768260088.db2.gz ZQEVGAUPKMSEHM-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112965737 765054095 /nfs/dbraw/zinc/05/40/95/765054095.db2.gz MABIOIJAUFVIHW-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112965737 765054102 /nfs/dbraw/zinc/05/41/02/765054102.db2.gz MABIOIJAUFVIHW-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131703766 768272844 /nfs/dbraw/zinc/27/28/44/768272844.db2.gz JDJWTLXFHKLVSZ-SJLPKXTDSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131703766 768272847 /nfs/dbraw/zinc/27/28/47/768272847.db2.gz JDJWTLXFHKLVSZ-SJLPKXTDSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131703766 768272851 /nfs/dbraw/zinc/27/28/51/768272851.db2.gz JDJWTLXFHKLVSZ-SJLPKXTDSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001044679787 765748252 /nfs/dbraw/zinc/74/82/52/765748252.db2.gz BZBZREOAWLRHAI-HUUCEWRRSA-N 2 1 316.449 1.917 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425928 765816310 /nfs/dbraw/zinc/81/63/10/765816310.db2.gz HJGSMEWOSFLWLT-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425928 765816319 /nfs/dbraw/zinc/81/63/19/765816319.db2.gz HJGSMEWOSFLWLT-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425928 765816325 /nfs/dbraw/zinc/81/63/25/765816325.db2.gz HJGSMEWOSFLWLT-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052489950 765880035 /nfs/dbraw/zinc/88/00/35/765880035.db2.gz RVAHSMZXBOPWGV-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052489950 765880039 /nfs/dbraw/zinc/88/00/39/765880039.db2.gz RVAHSMZXBOPWGV-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489950 765880044 /nfs/dbraw/zinc/88/00/44/765880044.db2.gz RVAHSMZXBOPWGV-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052489950 765880050 /nfs/dbraw/zinc/88/00/50/765880050.db2.gz RVAHSMZXBOPWGV-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590419 765977349 /nfs/dbraw/zinc/97/73/49/765977349.db2.gz AMVQJCMSJGIESH-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620545 766006362 /nfs/dbraw/zinc/00/63/62/766006362.db2.gz QKZMVAXGEQYOQU-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001045604165 766438914 /nfs/dbraw/zinc/43/89/14/766438914.db2.gz VYDDFFOZKYAWES-UHFFFAOYSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001045643605 766471020 /nfs/dbraw/zinc/47/10/20/766471020.db2.gz NKLWLGGXGHDVPW-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045643605 766471022 /nfs/dbraw/zinc/47/10/22/766471022.db2.gz NKLWLGGXGHDVPW-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114090487 766619596 /nfs/dbraw/zinc/61/95/96/766619596.db2.gz FGJQCZAYZOAGFD-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114090487 766619602 /nfs/dbraw/zinc/61/96/02/766619602.db2.gz FGJQCZAYZOAGFD-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114090487 766619608 /nfs/dbraw/zinc/61/96/08/766619608.db2.gz FGJQCZAYZOAGFD-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114090487 766619615 /nfs/dbraw/zinc/61/96/15/766619615.db2.gz FGJQCZAYZOAGFD-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001158083043 767721083 /nfs/dbraw/zinc/72/10/83/767721083.db2.gz OZGHRLMONKJWPY-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001158083043 767721086 /nfs/dbraw/zinc/72/10/86/767721086.db2.gz OZGHRLMONKJWPY-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001047401507 768453629 /nfs/dbraw/zinc/45/36/29/768453629.db2.gz USVGKJVCKVIZBC-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401507 768453633 /nfs/dbraw/zinc/45/36/33/768453633.db2.gz USVGKJVCKVIZBC-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001047401507 768453639 /nfs/dbraw/zinc/45/36/39/768453639.db2.gz USVGKJVCKVIZBC-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132938327 769336021 /nfs/dbraw/zinc/33/60/21/769336021.db2.gz TZHAEDGQJLQWTG-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001133121051 769512881 /nfs/dbraw/zinc/51/28/81/769512881.db2.gz DBUWFFKFQXUACC-JKSUJKDBSA-N 2 1 307.482 1.672 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001048542818 769515487 /nfs/dbraw/zinc/51/54/87/769515487.db2.gz JLYNONWDCIZNMF-ACHSLPGTSA-N 2 1 322.412 1.940 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170989 770494407 /nfs/dbraw/zinc/49/44/07/770494407.db2.gz HFZFWYGTAKIPSA-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC#CC)C2)CC1 ZINC001072095895 770536385 /nfs/dbraw/zinc/53/63/85/770536385.db2.gz PXVRDZBWLSVYII-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001072095823 770536479 /nfs/dbraw/zinc/53/64/79/770536479.db2.gz OUCMGCMWUKPNBA-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049232338 770578243 /nfs/dbraw/zinc/57/82/43/770578243.db2.gz SRDQXUJJCPGZNQ-VQHPVUNQSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478928 770909052 /nfs/dbraw/zinc/90/90/52/770909052.db2.gz VNZKHPOODYCRAE-DLBZAZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723474 771140969 /nfs/dbraw/zinc/14/09/69/771140969.db2.gz KFQZYGPJZUDRFR-UHFFFAOYSA-N 2 1 308.426 1.305 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001049767554 771145225 /nfs/dbraw/zinc/14/52/25/771145225.db2.gz POGXTZQXSSPZDC-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767554 771145226 /nfs/dbraw/zinc/14/52/26/771145226.db2.gz POGXTZQXSSPZDC-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001049767554 771145228 /nfs/dbraw/zinc/14/52/28/771145228.db2.gz POGXTZQXSSPZDC-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001134773018 771167746 /nfs/dbraw/zinc/16/77/46/771167746.db2.gz JJSWXDQFWGQLFZ-GJZGRUSLSA-N 2 1 311.470 1.239 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090520616 771183876 /nfs/dbraw/zinc/18/38/76/771183876.db2.gz QNCPBYJICFYNSU-GJZGRUSLSA-N 2 1 321.421 1.082 20 30 DDEDMP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134810330 771188481 /nfs/dbraw/zinc/18/84/81/771188481.db2.gz XSQVEUFDUUURGM-CHWSQXEVSA-N 2 1 308.426 1.799 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](O)C1 ZINC001090828975 772248941 /nfs/dbraw/zinc/24/89/41/772248941.db2.gz VSNLVQNHTGJZNM-DLBZAZTESA-N 2 1 317.433 1.099 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001148571012 773525044 /nfs/dbraw/zinc/52/50/44/773525044.db2.gz RFZGMUZSNBRKSY-UHFFFAOYSA-N 2 1 319.424 1.615 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754070 773628797 /nfs/dbraw/zinc/62/87/97/773628797.db2.gz BMUPXOQHRXYJGM-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754070 773628801 /nfs/dbraw/zinc/62/88/01/773628801.db2.gz BMUPXOQHRXYJGM-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754070 773628802 /nfs/dbraw/zinc/62/88/02/773628802.db2.gz BMUPXOQHRXYJGM-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001086941880 773731925 /nfs/dbraw/zinc/73/19/25/773731925.db2.gz CJQNJCXJHNBEFC-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011487 773919482 /nfs/dbraw/zinc/91/94/82/773919482.db2.gz XCJGQUFTDDIWNK-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011487 773919488 /nfs/dbraw/zinc/91/94/88/773919488.db2.gz XCJGQUFTDDIWNK-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092011487 773919497 /nfs/dbraw/zinc/91/94/97/773919497.db2.gz XCJGQUFTDDIWNK-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036809469 774694271 /nfs/dbraw/zinc/69/42/71/774694271.db2.gz LKZYEHMCIPSYFM-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001036859036 774945400 /nfs/dbraw/zinc/94/54/00/774945400.db2.gz JMFMADLQAHXMGX-QZTJIDSGSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527331 775018182 /nfs/dbraw/zinc/01/81/82/775018182.db2.gz DMXMQFHRAVIXRF-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001100614628 776367351 /nfs/dbraw/zinc/36/73/51/776367351.db2.gz BCEISPJMCIQFBG-HWOWSKLDSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001100858100 776640114 /nfs/dbraw/zinc/64/01/14/776640114.db2.gz FQUHOGWIFGPTBQ-VJFUWPCTSA-N 2 1 313.445 1.797 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001094964152 776910652 /nfs/dbraw/zinc/91/06/52/776910652.db2.gz MFBMTMXTLUQXPL-KKUMJFAQSA-N 2 1 322.840 1.913 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362767 777095928 /nfs/dbraw/zinc/09/59/28/777095928.db2.gz CTIXRBJBNHMTKJ-NUJGCVRESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362783 777097350 /nfs/dbraw/zinc/09/73/50/777097350.db2.gz DEMNOAQJAZUUGG-AOIWGVFYSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150325613 777410464 /nfs/dbraw/zinc/41/04/64/777410464.db2.gz REAVPWKANOHNFA-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150325613 777410466 /nfs/dbraw/zinc/41/04/66/777410466.db2.gz REAVPWKANOHNFA-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150325613 777410470 /nfs/dbraw/zinc/41/04/70/777410470.db2.gz REAVPWKANOHNFA-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369834 778101598 /nfs/dbraw/zinc/10/15/98/778101598.db2.gz IGSGCDJJCTUVKN-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369834 778101600 /nfs/dbraw/zinc/10/16/00/778101600.db2.gz IGSGCDJJCTUVKN-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369834 778101605 /nfs/dbraw/zinc/10/16/05/778101605.db2.gz IGSGCDJJCTUVKN-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176564775 778184048 /nfs/dbraw/zinc/18/40/48/778184048.db2.gz RIKWGOVNBRRQKJ-CVEARBPZSA-N 2 1 311.470 1.405 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060229 778609267 /nfs/dbraw/zinc/60/92/67/778609267.db2.gz BGYPSCPEQLYXRM-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060229 778609270 /nfs/dbraw/zinc/60/92/70/778609270.db2.gz BGYPSCPEQLYXRM-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060229 778609273 /nfs/dbraw/zinc/60/92/73/778609273.db2.gz BGYPSCPEQLYXRM-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(c1ccccc1)[NH+](C)C ZINC001115102999 779876768 /nfs/dbraw/zinc/87/67/68/779876768.db2.gz BYAWUBZZKGYLFJ-FAJBIJEISA-N 2 1 313.445 1.696 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593502 780253895 /nfs/dbraw/zinc/25/38/95/780253895.db2.gz LIKGBBOSUBIRQZ-HZPDHXFCSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593502 780253903 /nfs/dbraw/zinc/25/39/03/780253903.db2.gz LIKGBBOSUBIRQZ-HZPDHXFCSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCC=C)CC1 ZINC001267283632 837738393 /nfs/dbraw/zinc/73/83/93/837738393.db2.gz YWYPHJBJGXETFI-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266456360 836283279 /nfs/dbraw/zinc/28/32/79/836283279.db2.gz VGXTUNVCLBWIOO-AEFFLSMTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001266469789 836307706 /nfs/dbraw/zinc/30/77/06/836307706.db2.gz RZUQHNIUBZZJQT-LSDHHAIUSA-N 2 1 302.422 1.392 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001266469789 836307720 /nfs/dbraw/zinc/30/77/20/836307720.db2.gz RZUQHNIUBZZJQT-LSDHHAIUSA-N 2 1 302.422 1.392 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001266469789 836307727 /nfs/dbraw/zinc/30/77/27/836307727.db2.gz RZUQHNIUBZZJQT-LSDHHAIUSA-N 2 1 302.422 1.392 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001266488719 836338612 /nfs/dbraw/zinc/33/86/12/836338612.db2.gz OIYSCSSCZCHXCM-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266871452 836976881 /nfs/dbraw/zinc/97/68/81/836976881.db2.gz ZMUNGAZZZDHBCP-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267055181 837261730 /nfs/dbraw/zinc/26/17/30/837261730.db2.gz HIGSZEMFGGMLJS-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001267548462 838286468 /nfs/dbraw/zinc/28/64/68/838286468.db2.gz GEHNXDVSYILADH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCN1CC[C@@H](N(CCC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001267548462 838286475 /nfs/dbraw/zinc/28/64/75/838286475.db2.gz GEHNXDVSYILADH-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267549275 838287941 /nfs/dbraw/zinc/28/79/41/838287941.db2.gz VCGYBCPZKDJHLF-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267599854 838405635 /nfs/dbraw/zinc/40/56/35/838405635.db2.gz FFOUQFNMRNBUSJ-UHFFFAOYSA-N 2 1 304.438 1.938 20 30 DDEDMP C=CCC[N@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267599854 838405640 /nfs/dbraw/zinc/40/56/40/838405640.db2.gz FFOUQFNMRNBUSJ-UHFFFAOYSA-N 2 1 304.438 1.938 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001268280602 839938783 /nfs/dbraw/zinc/93/87/83/839938783.db2.gz MZUFMOQFHBFRNQ-HIFRSBDPSA-N 2 1 318.421 1.248 20 30 DDEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268306635 839977085 /nfs/dbraw/zinc/97/70/85/839977085.db2.gz CDEMMMBMHAEZIL-DOTOQJQBSA-N 2 1 323.481 1.284 20 30 DDEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001268499272 840310704 /nfs/dbraw/zinc/31/07/04/840310704.db2.gz IFPVOKNFQSXCDG-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001269188553 841319031 /nfs/dbraw/zinc/31/90/31/841319031.db2.gz GSFYVCWPWLTSQT-HZPDHXFCSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001269553016 841759160 /nfs/dbraw/zinc/75/91/60/841759160.db2.gz LWBDFAPJCLMLRG-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001269553016 841759164 /nfs/dbraw/zinc/75/91/64/841759164.db2.gz LWBDFAPJCLMLRG-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001269553016 841759169 /nfs/dbraw/zinc/75/91/69/841759169.db2.gz LWBDFAPJCLMLRG-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001271749520 843837285 /nfs/dbraw/zinc/83/72/85/843837285.db2.gz DWHZBUXFICAHDA-MUJYYYPQSA-N 2 1 300.406 1.184 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001271749520 843837293 /nfs/dbraw/zinc/83/72/93/843837293.db2.gz DWHZBUXFICAHDA-MUJYYYPQSA-N 2 1 300.406 1.184 20 30 DDEDMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001272589868 846367172 /nfs/dbraw/zinc/36/71/72/846367172.db2.gz BZPFQJAINRKJKW-INIZCTEOSA-N 2 1 309.454 1.113 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672215 846562995 /nfs/dbraw/zinc/56/29/95/846562995.db2.gz GFOIFGCKVHCIID-SFHVURJKSA-N 2 1 308.385 1.621 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672215 846563002 /nfs/dbraw/zinc/56/30/02/846563002.db2.gz GFOIFGCKVHCIID-SFHVURJKSA-N 2 1 308.385 1.621 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001005519461 848082977 /nfs/dbraw/zinc/08/29/77/848082977.db2.gz VFSXUZPKFPDLTA-RDJZCZTQSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001005519461 848082980 /nfs/dbraw/zinc/08/29/80/848082980.db2.gz VFSXUZPKFPDLTA-RDJZCZTQSA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254660 861894970 /nfs/dbraw/zinc/89/49/70/861894970.db2.gz DBNPKKUTSQEVFC-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254660 861894992 /nfs/dbraw/zinc/89/49/92/861894992.db2.gz DBNPKKUTSQEVFC-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155254660 861895010 /nfs/dbraw/zinc/89/50/10/861895010.db2.gz DBNPKKUTSQEVFC-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155254660 861895030 /nfs/dbraw/zinc/89/50/30/861895030.db2.gz DBNPKKUTSQEVFC-TZMCWYRMSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001273146451 848578739 /nfs/dbraw/zinc/57/87/39/848578739.db2.gz MOGZGPQYMFMFQD-GOSISDBHSA-N 2 1 321.465 1.352 20 30 DDEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001273146451 848578742 /nfs/dbraw/zinc/57/87/42/848578742.db2.gz MOGZGPQYMFMFQD-GOSISDBHSA-N 2 1 321.465 1.352 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841358 861934351 /nfs/dbraw/zinc/93/43/51/861934351.db2.gz CZDBOLJETSHTTH-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP N#Cc1cc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)nc2ccccc12 ZINC001155384464 862022363 /nfs/dbraw/zinc/02/23/63/862022363.db2.gz VIYGTPLCAUBGPB-MRXNPFEDSA-N 2 1 321.428 1.966 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150418247 862233575 /nfs/dbraw/zinc/23/35/75/862233575.db2.gz YGDYPVWYHILZPN-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150418244 862234879 /nfs/dbraw/zinc/23/48/79/862234879.db2.gz YGDYPVWYHILZPN-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150625034 862365408 /nfs/dbraw/zinc/36/54/08/862365408.db2.gz HILBKVDNYVDRNH-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150625034 862365430 /nfs/dbraw/zinc/36/54/30/862365430.db2.gz HILBKVDNYVDRNH-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150625034 862365448 /nfs/dbraw/zinc/36/54/48/862365448.db2.gz HILBKVDNYVDRNH-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274924695 852686863 /nfs/dbraw/zinc/68/68/63/852686863.db2.gz VRYXEVITJIDGLM-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001155791012 862454466 /nfs/dbraw/zinc/45/44/66/862454466.db2.gz QOKBOAHGXQUIBD-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001006431963 855403508 /nfs/dbraw/zinc/40/35/08/855403508.db2.gz SXDCGYOZVQZCSR-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006431963 855403511 /nfs/dbraw/zinc/40/35/11/855403511.db2.gz SXDCGYOZVQZCSR-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001006444611 855442245 /nfs/dbraw/zinc/44/22/45/855442245.db2.gz WKPCURXCQLUSDS-IYBDPMFKSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595906 857035005 /nfs/dbraw/zinc/03/50/05/857035005.db2.gz UPHXPKIXAYOJQC-SJORKVTESA-N 2 1 308.385 1.646 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072850206 857797657 /nfs/dbraw/zinc/79/76/57/857797657.db2.gz SKBKCQIEHBDMPU-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001072850206 857797658 /nfs/dbraw/zinc/79/76/58/857797658.db2.gz SKBKCQIEHBDMPU-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001072850206 857797660 /nfs/dbraw/zinc/79/76/60/857797660.db2.gz SKBKCQIEHBDMPU-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072850512 857799167 /nfs/dbraw/zinc/79/91/67/857799167.db2.gz ZXAAREYYABHOQS-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)C1 ZINC001072850512 857799177 /nfs/dbraw/zinc/79/91/77/857799177.db2.gz ZXAAREYYABHOQS-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001072850512 857799187 /nfs/dbraw/zinc/79/91/87/857799187.db2.gz ZXAAREYYABHOQS-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001072852553 857801206 /nfs/dbraw/zinc/80/12/06/857801206.db2.gz GNEZJLGAVLMTSN-UHFFFAOYSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923226 857894059 /nfs/dbraw/zinc/89/40/59/857894059.db2.gz UDLSXMFZRKOJAL-UHFFFAOYSA-N 2 1 301.390 1.122 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923226 857894063 /nfs/dbraw/zinc/89/40/63/857894063.db2.gz UDLSXMFZRKOJAL-UHFFFAOYSA-N 2 1 301.390 1.122 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073131968 858129482 /nfs/dbraw/zinc/12/94/82/858129482.db2.gz YRJMQEMIZUVUJR-UHFFFAOYSA-N 2 1 312.417 1.319 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073131968 858129485 /nfs/dbraw/zinc/12/94/85/858129485.db2.gz YRJMQEMIZUVUJR-UHFFFAOYSA-N 2 1 312.417 1.319 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001328659516 863132707 /nfs/dbraw/zinc/13/27/07/863132707.db2.gz LRGTUKPCAPFNRD-KRWDZBQOSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152445570 863349140 /nfs/dbraw/zinc/34/91/40/863349140.db2.gz JJNSHYUKMBCHHG-GFCCVEGCSA-N 2 1 318.259 1.475 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2cncn2C1 ZINC001329476348 863689474 /nfs/dbraw/zinc/68/94/74/863689474.db2.gz ZHWURURYXGHZSS-CABCVRRESA-N 2 1 320.437 1.085 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001330474862 864386379 /nfs/dbraw/zinc/38/63/79/864386379.db2.gz JKWRRZRSBOIVGE-RCCFBDPRSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158434937 864655188 /nfs/dbraw/zinc/65/51/88/864655188.db2.gz PYGGMYBKGIRRQP-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331712474 865267188 /nfs/dbraw/zinc/26/71/88/865267188.db2.gz PMCMIPHQWVMMRW-HOTGVXAUSA-N 2 1 323.481 1.284 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001331926654 865435307 /nfs/dbraw/zinc/43/53/07/865435307.db2.gz MGWKXYSEYKVROF-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001160466958 865864017 /nfs/dbraw/zinc/86/40/17/865864017.db2.gz MBLNRAWPEIHTDR-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001160466958 865864033 /nfs/dbraw/zinc/86/40/33/865864033.db2.gz MBLNRAWPEIHTDR-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001160466958 865864048 /nfs/dbraw/zinc/86/40/48/865864048.db2.gz MBLNRAWPEIHTDR-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP N#CC1(c2ccc(N[C@]3(C[NH3+])C[NH+]4CCC3CC4)nc2)CCC1 ZINC001160513533 865897261 /nfs/dbraw/zinc/89/72/61/865897261.db2.gz OXHMZRIOLVCCMO-GOSISDBHSA-N 2 1 311.433 1.862 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001160699944 866047191 /nfs/dbraw/zinc/04/71/91/866047191.db2.gz NVOZSUPRFBTXRI-UHFFFAOYSA-N 2 1 308.385 1.720 20 30 DDEDMP CC#CC[N@@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001332707497 866083556 /nfs/dbraw/zinc/08/35/56/866083556.db2.gz MNRFVUAYNVSWKL-KRWDZBQOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390970 866622397 /nfs/dbraw/zinc/62/23/97/866622397.db2.gz MKZPASJFMUUKAH-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C=C(C)C[NH2+]CCN(CC)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001320876005 867091101 /nfs/dbraw/zinc/09/11/01/867091101.db2.gz JLHRBBBNVZHTDU-UHFFFAOYSA-N 2 1 313.405 1.895 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001324439324 867280233 /nfs/dbraw/zinc/28/02/33/867280233.db2.gz GXUQXGRCZBUIKD-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP Cc1ccc(CC#N)c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)[nH+]1 ZINC001165346922 869534861 /nfs/dbraw/zinc/53/48/61/869534861.db2.gz WGAGHRLBKLTIPT-QGZVFWFLSA-N 2 1 316.405 1.041 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001317120552 870292250 /nfs/dbraw/zinc/29/22/50/870292250.db2.gz WAOFPXBYPFPJGX-HDICACEKSA-N 2 1 315.461 1.974 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420678 870553786 /nfs/dbraw/zinc/55/37/86/870553786.db2.gz VYQJSJZUXIONRC-HZPDHXFCSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317355534 870695562 /nfs/dbraw/zinc/69/55/62/870695562.db2.gz CZEOXDWGOPARCJ-DLBZAZTESA-N 2 1 321.465 1.139 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317433205 870827048 /nfs/dbraw/zinc/82/70/48/870827048.db2.gz DQSOJQDEULTGAU-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317433205 870827060 /nfs/dbraw/zinc/82/70/60/870827060.db2.gz DQSOJQDEULTGAU-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317433205 870827068 /nfs/dbraw/zinc/82/70/68/870827068.db2.gz DQSOJQDEULTGAU-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001316687081 871077407 /nfs/dbraw/zinc/07/74/07/871077407.db2.gz RWUXFVMCOMXKBJ-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001317561608 871080265 /nfs/dbraw/zinc/08/02/65/871080265.db2.gz NNZWHNZCRGHPGB-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204875816 871274695 /nfs/dbraw/zinc/27/46/95/871274695.db2.gz FPVFXBNHLWKAOI-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875816 871274707 /nfs/dbraw/zinc/27/47/07/871274707.db2.gz FPVFXBNHLWKAOI-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001317787191 871502697 /nfs/dbraw/zinc/50/26/97/871502697.db2.gz DCOIXAZPLRJHEI-HZPDHXFCSA-N 2 1 314.433 1.297 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317812250 871537435 /nfs/dbraw/zinc/53/74/35/871537435.db2.gz WUKKROBOQPKCLF-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317812250 871537450 /nfs/dbraw/zinc/53/74/50/871537450.db2.gz WUKKROBOQPKCLF-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001317812250 871537467 /nfs/dbraw/zinc/53/74/67/871537467.db2.gz WUKKROBOQPKCLF-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001317812250 871537478 /nfs/dbraw/zinc/53/74/78/871537478.db2.gz WUKKROBOQPKCLF-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461454 871566964 /nfs/dbraw/zinc/56/69/64/871566964.db2.gz JZRYSBKQBMUBSQ-HNNXBMFYSA-N 2 1 302.422 1.775 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205590821 871646070 /nfs/dbraw/zinc/64/60/70/871646070.db2.gz UJPKRQBBYGMESE-UHFFFAOYSA-N 2 1 318.421 1.201 20 30 DDEDMP CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001316851203 872167024 /nfs/dbraw/zinc/16/70/24/872167024.db2.gz SDLITFWIENFEEM-KRWDZBQOSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001318744014 872241416 /nfs/dbraw/zinc/24/14/16/872241416.db2.gz IZCXELZSFIWIKL-QAPCUYQASA-N 2 1 316.449 1.870 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C ZINC001319080848 872429377 /nfs/dbraw/zinc/42/93/77/872429377.db2.gz PJZILXWHARQHDP-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C ZINC001319080848 872429383 /nfs/dbraw/zinc/42/93/83/872429383.db2.gz PJZILXWHARQHDP-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001206739910 872547723 /nfs/dbraw/zinc/54/77/23/872547723.db2.gz WLGVLYHWRDAEOM-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001206739910 872547730 /nfs/dbraw/zinc/54/77/30/872547730.db2.gz WLGVLYHWRDAEOM-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001206739910 872547742 /nfs/dbraw/zinc/54/77/42/872547742.db2.gz WLGVLYHWRDAEOM-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001206739910 872547751 /nfs/dbraw/zinc/54/77/51/872547751.db2.gz WLGVLYHWRDAEOM-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001228189919 883377966 /nfs/dbraw/zinc/37/79/66/883377966.db2.gz PAFDHMRPNZKOHI-MWDXBVQZSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001206943437 872817871 /nfs/dbraw/zinc/81/78/71/872817871.db2.gz QXPNQBOPQJYRBZ-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206943437 872817875 /nfs/dbraw/zinc/81/78/75/872817875.db2.gz QXPNQBOPQJYRBZ-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028236 882784731 /nfs/dbraw/zinc/78/47/31/882784731.db2.gz FFUXBUUNIIOGFM-QBPKDAKJSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028236 882784737 /nfs/dbraw/zinc/78/47/37/882784737.db2.gz FFUXBUUNIIOGFM-QBPKDAKJSA-N 2 1 323.481 1.689 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001208355819 874051235 /nfs/dbraw/zinc/05/12/35/874051235.db2.gz IJEHSXWIUMVZBM-PYMSSDGJSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001208355819 874051248 /nfs/dbraw/zinc/05/12/48/874051248.db2.gz IJEHSXWIUMVZBM-PYMSSDGJSA-N 2 1 309.841 1.417 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2ccnc2C(C)C)C1 ZINC001209150952 874694043 /nfs/dbraw/zinc/69/40/43/874694043.db2.gz XBGISQAGTDZQNP-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209150952 874694052 /nfs/dbraw/zinc/69/40/52/874694052.db2.gz XBGISQAGTDZQNP-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209167294 874703718 /nfs/dbraw/zinc/70/37/18/874703718.db2.gz RLVIQCXJJIFHSK-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001209167294 874703720 /nfs/dbraw/zinc/70/37/20/874703720.db2.gz RLVIQCXJJIFHSK-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277142 874774595 /nfs/dbraw/zinc/77/45/95/874774595.db2.gz GRBZYLAJNIASDV-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC001227165616 882887589 /nfs/dbraw/zinc/88/75/89/882887589.db2.gz NREUQKCFCWTMPD-HZPDHXFCSA-N 2 1 323.481 1.384 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209688523 875055475 /nfs/dbraw/zinc/05/54/75/875055475.db2.gz CXCOCYCEQFSMKS-GOSISDBHSA-N 2 1 313.445 1.375 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210145076 875242830 /nfs/dbraw/zinc/24/28/30/875242830.db2.gz DLARUWKZLWCPBH-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855612 876481666 /nfs/dbraw/zinc/48/16/66/876481666.db2.gz IEMIZASBKBLXLU-RBSFLKMASA-N 2 1 302.422 1.773 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855819 876483826 /nfs/dbraw/zinc/48/38/26/876483826.db2.gz OPIFSZLNQPIANW-RBSFLKMASA-N 2 1 300.406 1.220 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379350973 876893216 /nfs/dbraw/zinc/89/32/16/876893216.db2.gz YGHDQRKRUWNFQF-CZUORRHYSA-N 2 1 300.406 1.247 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC001353561811 877419343 /nfs/dbraw/zinc/41/93/43/877419343.db2.gz WIAFGNOOGQAIIW-UHFFFAOYSA-N 2 1 315.417 1.631 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665247 878438630 /nfs/dbraw/zinc/43/86/30/878438630.db2.gz CROVQMNBSWDVGY-KFWWJZLASA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665247 878438639 /nfs/dbraw/zinc/43/86/39/878438639.db2.gz CROVQMNBSWDVGY-KFWWJZLASA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220269171 878866812 /nfs/dbraw/zinc/86/68/12/878866812.db2.gz RPHNOBNIOHEVQZ-SJORKVTESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220868157 879332103 /nfs/dbraw/zinc/33/21/03/879332103.db2.gz CYJYUAUBSGINGS-HOTGVXAUSA-N 3 1 310.486 1.249 20 30 DDEDMP C=CCN1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C ZINC001220868157 879332124 /nfs/dbraw/zinc/33/21/24/879332124.db2.gz CYJYUAUBSGINGS-HOTGVXAUSA-N 2 1 310.486 1.249 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220868486 879333113 /nfs/dbraw/zinc/33/31/13/879333113.db2.gz KXNZPWAZSBEZII-IRXDYDNUSA-N 2 1 312.417 1.195 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089394 879490393 /nfs/dbraw/zinc/49/03/93/879490393.db2.gz DBBXQDQFGIIDBX-CVEARBPZSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089394 879490408 /nfs/dbraw/zinc/49/04/08/879490408.db2.gz DBBXQDQFGIIDBX-CVEARBPZSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089394 879490419 /nfs/dbraw/zinc/49/04/19/879490419.db2.gz DBBXQDQFGIIDBX-CVEARBPZSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)[C@@H]2C1 ZINC001221603463 879966756 /nfs/dbraw/zinc/96/67/56/879966756.db2.gz KVQPZWBRRBMUPM-GDBMZVCRSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659000 879991486 /nfs/dbraw/zinc/99/14/86/879991486.db2.gz DMILHQPKKMAWBF-NVXWUHKLSA-N 2 1 312.417 1.074 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221659000 879991492 /nfs/dbraw/zinc/99/14/92/879991492.db2.gz DMILHQPKKMAWBF-NVXWUHKLSA-N 2 1 312.417 1.074 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001380686413 880189692 /nfs/dbraw/zinc/18/96/92/880189692.db2.gz GXBXVAULRDPQOS-OCCSQVGLSA-N 2 1 301.862 1.763 20 30 DDEDMP COc1cc(C#N)ccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507336 880524747 /nfs/dbraw/zinc/52/47/47/880524747.db2.gz SNFMLKQUEHXVTA-HOTGVXAUSA-N 2 1 300.406 1.093 20 30 DDEDMP C=CCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001222520603 880534943 /nfs/dbraw/zinc/53/49/43/880534943.db2.gz HREQOJMCSFAVBR-GOSISDBHSA-N 2 1 305.466 1.925 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916309 881148418 /nfs/dbraw/zinc/14/84/18/881148418.db2.gz FTMAYIRXMQBEIZ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001277435756 884257108 /nfs/dbraw/zinc/25/71/08/884257108.db2.gz UZOFFNFGWSQRER-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP CN1[C@@H]2C[C@@H](Oc3cccc4c3CC[N@@H+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234422706 887955070 /nfs/dbraw/zinc/95/50/70/887955070.db2.gz IWYHVQUTWQQIID-YPDBZUBKSA-N 2 1 300.402 1.666 20 30 DDEDMP C[C@@H](O)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277961477 888875029 /nfs/dbraw/zinc/87/50/29/888875029.db2.gz YHBVXJNEVKOQAP-CQSZACIVSA-N 2 1 302.422 1.175 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)C1 ZINC001278146178 889845301 /nfs/dbraw/zinc/84/53/01/889845301.db2.gz DTFNMDPKXJFFMD-LESCRADOSA-N 2 1 316.449 1.165 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)C1 ZINC001278146178 889845317 /nfs/dbraw/zinc/84/53/17/889845317.db2.gz DTFNMDPKXJFFMD-LESCRADOSA-N 2 1 316.449 1.165 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)C1 ZINC001278146178 889845323 /nfs/dbraw/zinc/84/53/23/889845323.db2.gz DTFNMDPKXJFFMD-LESCRADOSA-N 2 1 316.449 1.165 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)C1 ZINC001278146178 889845334 /nfs/dbraw/zinc/84/53/34/889845334.db2.gz DTFNMDPKXJFFMD-LESCRADOSA-N 2 1 316.449 1.165 20 30 DDEDMP N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246325627 892537911 /nfs/dbraw/zinc/53/79/11/892537911.db2.gz LQAGNVKXQNDMEE-OAHLLOKOSA-N 2 1 309.417 1.281 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246361539 892569314 /nfs/dbraw/zinc/56/93/14/892569314.db2.gz ZQSDYLHZARVYDW-QGZVFWFLSA-N 2 1 312.417 1.504 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001278453025 892695383 /nfs/dbraw/zinc/69/53/83/892695383.db2.gz QESHWFACOLTPCI-AEFFLSMTSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001278453025 892695393 /nfs/dbraw/zinc/69/53/93/892695393.db2.gz QESHWFACOLTPCI-AEFFLSMTSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001278453025 892695407 /nfs/dbraw/zinc/69/54/07/892695407.db2.gz QESHWFACOLTPCI-AEFFLSMTSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCN(CC=C)CC[NH+]1CCN([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246949870 893014420 /nfs/dbraw/zinc/01/44/20/893014420.db2.gz RBQUJIDTKVTEMC-ZWKOTPCHSA-N 2 1 306.498 1.419 20 30 DDEDMP C#CCOC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001251852006 894846079 /nfs/dbraw/zinc/84/60/79/894846079.db2.gz YADPQSCYNJTNSR-MOPGFXCFSA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001251852006 894846094 /nfs/dbraw/zinc/84/60/94/894846094.db2.gz YADPQSCYNJTNSR-MOPGFXCFSA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001251852006 894846109 /nfs/dbraw/zinc/84/61/09/894846109.db2.gz YADPQSCYNJTNSR-MOPGFXCFSA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001251907227 894882794 /nfs/dbraw/zinc/88/27/94/894882794.db2.gz WQRWNACAGXRFDI-UHOSZYNNSA-N 2 1 316.445 1.497 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001252604092 895312627 /nfs/dbraw/zinc/31/26/27/895312627.db2.gz MRRDAZFBTSDTKQ-NVXWUHKLSA-N 2 1 324.465 1.663 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001252604092 895312644 /nfs/dbraw/zinc/31/26/44/895312644.db2.gz MRRDAZFBTSDTKQ-NVXWUHKLSA-N 2 1 324.465 1.663 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001278782579 896428540 /nfs/dbraw/zinc/42/85/40/896428540.db2.gz ZCHMNCWIKTUNHH-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278782579 896428544 /nfs/dbraw/zinc/42/85/44/896428544.db2.gz ZCHMNCWIKTUNHH-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278782579 896428549 /nfs/dbraw/zinc/42/85/49/896428549.db2.gz ZCHMNCWIKTUNHH-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCN1CC[C@]2(CCCN([C@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254517173 896475409 /nfs/dbraw/zinc/47/54/09/896475409.db2.gz FGXDAEQTNAYQQV-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCCN1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC001256566747 897480064 /nfs/dbraw/zinc/48/00/64/897480064.db2.gz XUHTZLHLTJTZQM-INIZCTEOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001278978506 897640275 /nfs/dbraw/zinc/64/02/75/897640275.db2.gz JXYKQHSFQZPAFU-HZPDHXFCSA-N 2 1 307.482 1.861 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001258463805 898199057 /nfs/dbraw/zinc/19/90/57/898199057.db2.gz VPEGNAQRPSACDZ-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1ccc(C#N)c(F)c1 ZINC001390845382 900340721 /nfs/dbraw/zinc/34/07/21/900340721.db2.gz RWJGTRCWQAGRNB-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001390845382 900340730 /nfs/dbraw/zinc/34/07/30/900340730.db2.gz RWJGTRCWQAGRNB-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001390845382 900340741 /nfs/dbraw/zinc/34/07/41/900340741.db2.gz RWJGTRCWQAGRNB-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001264077256 900914922 /nfs/dbraw/zinc/91/49/22/900914922.db2.gz WIOVHZLJFKSZED-IAGOWNOFSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001264077256 900914929 /nfs/dbraw/zinc/91/49/29/900914929.db2.gz WIOVHZLJFKSZED-IAGOWNOFSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001264077256 900914938 /nfs/dbraw/zinc/91/49/38/900914938.db2.gz WIOVHZLJFKSZED-IAGOWNOFSA-N 2 1 323.481 1.332 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265551848 902125824 /nfs/dbraw/zinc/12/58/24/902125824.db2.gz NUPNXLOXQFSLOV-FGTMMUONSA-N 2 1 311.429 1.369 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266071183 902883543 /nfs/dbraw/zinc/88/35/43/902883543.db2.gz JXIZAVDBSFCIOA-HOTGVXAUSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001370718062 903654101 /nfs/dbraw/zinc/65/41/01/903654101.db2.gz ILVBXRFSOFNLHJ-TXEJJXNPSA-N 2 1 318.259 1.472 20 30 DDEDMP C=CC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001283011779 906463338 /nfs/dbraw/zinc/46/33/38/906463338.db2.gz WNHUXINNMXITHJ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001283528032 907542345 /nfs/dbraw/zinc/54/23/45/907542345.db2.gz AAFGWFWTJLWYPT-WBVHZDCISA-N 2 1 316.449 1.767 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001284618364 909262908 /nfs/dbraw/zinc/26/29/08/909262908.db2.gz LLGTXZSBHHVSJC-JYJNAYRXSA-N 2 1 307.482 1.861 20 30 DDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736209 355980852 /nfs/dbraw/zinc/98/08/52/355980852.db2.gz JOQIRRIATNHRNQ-UAGQMJEPSA-N 2 1 300.406 1.672 20 30 DDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736209 355980854 /nfs/dbraw/zinc/98/08/54/355980854.db2.gz JOQIRRIATNHRNQ-UAGQMJEPSA-N 2 1 300.406 1.672 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC#N)CC#N)CC2)CC1 ZINC000594257889 356155396 /nfs/dbraw/zinc/15/53/96/356155396.db2.gz QKHRIEUYMSEUHB-UHFFFAOYSA-N 2 1 317.437 1.058 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCc1ccc(C#N)cc1 ZINC000595401582 356479615 /nfs/dbraw/zinc/47/96/15/356479615.db2.gz LQQPMOXOFVYOCO-UHFFFAOYSA-N 2 1 300.450 1.670 20 30 DDEDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599313534 357889211 /nfs/dbraw/zinc/88/92/11/357889211.db2.gz CRCZGIMXKXDUBJ-QGZVFWFLSA-N 2 1 323.481 1.864 20 30 DDEDMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccccc1C#N ZINC000599397992 357921813 /nfs/dbraw/zinc/92/18/13/357921813.db2.gz WRSNWORIGBRUSB-QGZVFWFLSA-N 2 1 317.433 1.716 20 30 DDEDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccccc1C#N ZINC000599397992 357921817 /nfs/dbraw/zinc/92/18/17/357921817.db2.gz WRSNWORIGBRUSB-QGZVFWFLSA-N 2 1 317.433 1.716 20 30 DDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600730755 358299274 /nfs/dbraw/zinc/29/92/74/358299274.db2.gz RTDOCZXNMDRSKZ-INIZCTEOSA-N 2 1 309.454 1.520 20 30 DDEDMP N#Cc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000602711598 359140710 /nfs/dbraw/zinc/14/07/10/359140710.db2.gz RQNSKNOHBXVCHB-IBGZPJMESA-N 2 1 322.412 1.810 20 30 DDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330017483 223063500 /nfs/dbraw/zinc/06/35/00/223063500.db2.gz REKMADHNKHPBDY-CYBMUJFWSA-N 2 1 316.409 1.621 20 30 DDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000330017483 223063502 /nfs/dbraw/zinc/06/35/02/223063502.db2.gz REKMADHNKHPBDY-CYBMUJFWSA-N 2 1 316.409 1.621 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000330180434 223083156 /nfs/dbraw/zinc/08/31/56/223083156.db2.gz FZIGKVIHJIVAPK-RHSMWYFYSA-N 2 1 319.453 1.769 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000330180434 223083158 /nfs/dbraw/zinc/08/31/58/223083158.db2.gz FZIGKVIHJIVAPK-RHSMWYFYSA-N 2 1 319.453 1.769 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCC#N ZINC000612380195 360990939 /nfs/dbraw/zinc/99/09/39/360990939.db2.gz OKEBPKBGLNTNMC-OAHLLOKOSA-N 2 1 309.458 1.348 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120439445 781944588 /nfs/dbraw/zinc/94/45/88/781944588.db2.gz GOFHEHLVIVQPQQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439445 781944593 /nfs/dbraw/zinc/94/45/93/781944593.db2.gz GOFHEHLVIVQPQQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439445 781944598 /nfs/dbraw/zinc/94/45/98/781944598.db2.gz GOFHEHLVIVQPQQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP Cn1c(C#N)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000570786816 304422651 /nfs/dbraw/zinc/42/26/51/304422651.db2.gz ATBVSGGBJUAJHG-UHFFFAOYSA-N 2 1 324.388 1.296 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000092797474 407191933 /nfs/dbraw/zinc/19/19/33/407191933.db2.gz XCLPRBTUVKVEJD-MRXNPFEDSA-N 2 1 306.454 1.699 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(N(C)C)c1 ZINC000104162103 407348616 /nfs/dbraw/zinc/34/86/16/407348616.db2.gz HXFBTZMZJXGPJT-MRXNPFEDSA-N 2 1 303.454 1.641 20 30 DDEDMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000187056543 407815546 /nfs/dbraw/zinc/81/55/46/407815546.db2.gz SZUITWOMAKTGJC-KRWDZBQOSA-N 2 1 316.449 1.544 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272991512 408020216 /nfs/dbraw/zinc/02/02/16/408020216.db2.gz SVGAYGDWILYGTA-INIZCTEOSA-N 2 1 302.422 1.234 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1nc(C)cs1 ZINC000273551222 408242543 /nfs/dbraw/zinc/24/25/43/408242543.db2.gz YWUUUMAXWJYCRJ-DGCLKSJQSA-N 2 1 309.483 1.944 20 30 DDEDMP COc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1C#N ZINC000269340407 408272868 /nfs/dbraw/zinc/27/28/68/408272868.db2.gz GBLGOKFOKXHHGJ-UHFFFAOYSA-N 2 1 303.406 1.455 20 30 DDEDMP COc1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1C#N ZINC000269340407 408272874 /nfs/dbraw/zinc/27/28/74/408272874.db2.gz GBLGOKFOKXHHGJ-UHFFFAOYSA-N 2 1 303.406 1.455 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264322425 408444548 /nfs/dbraw/zinc/44/45/48/408444548.db2.gz YAXPLSRUZWWJBK-JSGCOSHPSA-N 2 1 308.426 1.664 20 30 DDEDMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000192870016 408664393 /nfs/dbraw/zinc/66/43/93/408664393.db2.gz UIIDDSWOOKEDJW-UHFFFAOYSA-N 2 1 300.406 1.913 20 30 DDEDMP COc1cc(C#N)ccc1OCCN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193598337 163259302 /nfs/dbraw/zinc/25/93/02/163259302.db2.gz BSANUJXXZJPEIW-GASCZTMLSA-N 2 1 301.390 1.439 20 30 DDEDMP C[C@H]1C[NH+]=C(NCCC[NH+]2CCN(Cc3ccccc3)CC2)N1 ZINC000284968250 409382143 /nfs/dbraw/zinc/38/21/43/409382143.db2.gz GARIBAINEKQMQY-INIZCTEOSA-N 2 1 315.465 1.132 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]CCN1CCC[N@@H+](C)CC1 ZINC000303890922 409553662 /nfs/dbraw/zinc/55/36/62/409553662.db2.gz QHVZTKSIYYOXTE-UHFFFAOYSA-N 2 1 317.481 1.331 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000352665879 410671803 /nfs/dbraw/zinc/67/18/03/410671803.db2.gz GFPYSGOGYRNZKL-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000352665879 410671808 /nfs/dbraw/zinc/67/18/08/410671808.db2.gz GFPYSGOGYRNZKL-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@@H+](CC)C[C@H]2C)[C@@H](C)C1 ZINC000352665879 410671815 /nfs/dbraw/zinc/67/18/15/410671815.db2.gz GFPYSGOGYRNZKL-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP COc1ccc([C@@H](CNC(=[NH2+])NC2CC2)[NH+]2CCCC2)cc1 ZINC000264153387 222326188 /nfs/dbraw/zinc/32/61/88/222326188.db2.gz ZXWZWMWIWXNMFV-MRXNPFEDSA-N 2 1 302.422 1.899 20 30 DDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCSC(C)(C)C1 ZINC000262014954 222270677 /nfs/dbraw/zinc/27/06/77/222270677.db2.gz VPRATZTVVFBVJS-UHFFFAOYSA-N 2 1 309.483 1.984 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000262457780 222282031 /nfs/dbraw/zinc/28/20/31/222282031.db2.gz LPQSDPBPMNBRFU-HNNXBMFYSA-N 2 1 308.451 1.859 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]C ZINC000262477409 222282928 /nfs/dbraw/zinc/28/29/28/222282928.db2.gz ZZBSGZFXOKEHBO-LXTVHRRPSA-N 2 1 308.470 1.449 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccsc1)N(C)C ZINC000264068754 222312910 /nfs/dbraw/zinc/31/29/10/222312910.db2.gz CLZUAWMCAQIINO-LSDHHAIUSA-N 2 1 323.510 1.739 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264115462 222318933 /nfs/dbraw/zinc/31/89/33/222318933.db2.gz SJTYJDIHORHTLY-CZUORRHYSA-N 2 1 304.438 1.108 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(C)c(OC)c1 ZINC000267465702 222386635 /nfs/dbraw/zinc/38/66/35/222386635.db2.gz WGJKXOPDXGSQQD-INIZCTEOSA-N 2 1 318.465 1.935 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCSCC#N)C2)CC1 ZINC000369837230 418738828 /nfs/dbraw/zinc/73/88/28/418738828.db2.gz ADYRCLIZTIDGJZ-INIZCTEOSA-N 2 1 310.511 1.734 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414646 418765799 /nfs/dbraw/zinc/76/57/99/418765799.db2.gz PTQMDZYQWLRAGV-FJIDUMEYSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414646 418765801 /nfs/dbraw/zinc/76/58/01/418765801.db2.gz PTQMDZYQWLRAGV-FJIDUMEYSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414646 418765803 /nfs/dbraw/zinc/76/58/03/418765803.db2.gz PTQMDZYQWLRAGV-FJIDUMEYSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414646 418765806 /nfs/dbraw/zinc/76/58/06/418765806.db2.gz PTQMDZYQWLRAGV-FJIDUMEYSA-N 2 1 317.477 1.992 20 30 DDEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424186747 228242893 /nfs/dbraw/zinc/24/28/93/228242893.db2.gz HIRVZHPYTNXBFZ-IAGOWNOFSA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@H](O)C[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000429689341 420037925 /nfs/dbraw/zinc/03/79/25/420037925.db2.gz NXGOCQLARPOHBF-XSLAGTTESA-N 2 1 308.466 1.460 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000491678682 421201264 /nfs/dbraw/zinc/20/12/64/421201264.db2.gz BZLCTXAXTHWZLB-KRWDZBQOSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000491678682 421201265 /nfs/dbraw/zinc/20/12/65/421201265.db2.gz BZLCTXAXTHWZLB-KRWDZBQOSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000491678682 421201267 /nfs/dbraw/zinc/20/12/67/421201267.db2.gz BZLCTXAXTHWZLB-KRWDZBQOSA-N 2 1 322.497 1.609 20 30 DDEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(C#N)cn1 ZINC000584060822 422251692 /nfs/dbraw/zinc/25/16/92/422251692.db2.gz FAIKZCUBAUMJKU-UHFFFAOYSA-N 2 1 301.438 1.411 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367202384 280100956 /nfs/dbraw/zinc/10/09/56/280100956.db2.gz ZFINKBHWAXIZRF-QGZVFWFLSA-N 2 1 320.481 1.849 20 30 DDEDMP N#Cc1ncn(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000369383388 301178766 /nfs/dbraw/zinc/17/87/66/301178766.db2.gz KGGBJFPJBLHDBC-UHFFFAOYSA-N 2 1 302.426 1.663 20 30 DDEDMP C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000521032485 333327759 /nfs/dbraw/zinc/32/77/59/333327759.db2.gz RGLKPSBDYUEMSY-JZXOWHBKSA-N 2 1 322.497 1.435 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000491730701 526820397 /nfs/dbraw/zinc/82/03/97/526820397.db2.gz HRJDWPFDTZYVMT-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000491730701 526820403 /nfs/dbraw/zinc/82/04/03/526820403.db2.gz HRJDWPFDTZYVMT-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000491730701 526820406 /nfs/dbraw/zinc/82/04/06/526820406.db2.gz HRJDWPFDTZYVMT-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000490854183 526882559 /nfs/dbraw/zinc/88/25/59/526882559.db2.gz YCCZSEAAEOLECA-UHFFFAOYSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCNC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000491120134 526976936 /nfs/dbraw/zinc/97/69/36/526976936.db2.gz LKAKMOJSLHWVLD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000491120134 526976938 /nfs/dbraw/zinc/97/69/38/526976938.db2.gz LKAKMOJSLHWVLD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000491120134 526976945 /nfs/dbraw/zinc/97/69/45/526976945.db2.gz LKAKMOJSLHWVLD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972340981 695221641 /nfs/dbraw/zinc/22/16/41/695221641.db2.gz XSHYPVJEGKLVRA-HUUCEWRRSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972340981 695221642 /nfs/dbraw/zinc/22/16/42/695221642.db2.gz XSHYPVJEGKLVRA-HUUCEWRRSA-N 2 1 302.422 1.473 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577806 695689168 /nfs/dbraw/zinc/68/91/68/695689168.db2.gz NUZLSWPOHPWMOG-CVEARBPZSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577809 695689330 /nfs/dbraw/zinc/68/93/30/695689330.db2.gz NUZLSWPOHPWMOG-HOTGVXAUSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877858 695751707 /nfs/dbraw/zinc/75/17/07/695751707.db2.gz UMADZKDIGIPEOR-JKSUJKDBSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877858 695751709 /nfs/dbraw/zinc/75/17/09/695751709.db2.gz UMADZKDIGIPEOR-JKSUJKDBSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977393400 696142318 /nfs/dbraw/zinc/14/23/18/696142318.db2.gz WTEDIAGODCBIMR-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977393400 696142321 /nfs/dbraw/zinc/14/23/21/696142321.db2.gz WTEDIAGODCBIMR-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C#Cc2ccccc2)CC1 ZINC000747369119 700066599 /nfs/dbraw/zinc/06/65/99/700066599.db2.gz PYDAHAWPWVGGGZ-UHFFFAOYSA-N 2 1 320.396 1.824 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978409604 696378505 /nfs/dbraw/zinc/37/85/05/696378505.db2.gz JLNAANFICNTORB-ZJPYXAASSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978409604 696378506 /nfs/dbraw/zinc/37/85/06/696378506.db2.gz JLNAANFICNTORB-ZJPYXAASSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978409604 696378508 /nfs/dbraw/zinc/37/85/08/696378508.db2.gz JLNAANFICNTORB-ZJPYXAASSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978629170 696428101 /nfs/dbraw/zinc/42/81/01/696428101.db2.gz NWSQSDQNFKNROE-QUSNUVHPSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978629170 696428102 /nfs/dbraw/zinc/42/81/02/696428102.db2.gz NWSQSDQNFKNROE-QUSNUVHPSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978629170 696428104 /nfs/dbraw/zinc/42/81/04/696428104.db2.gz NWSQSDQNFKNROE-QUSNUVHPSA-N 2 1 305.466 1.587 20 30 DDEDMP C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083094210 696550608 /nfs/dbraw/zinc/55/06/08/696550608.db2.gz IQJIXJCCGJZQSL-AWEZNQCLSA-N 2 1 315.421 1.027 20 30 DDEDMP C[NH+]=C(NCC(=O)Nc1ccccc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083094210 696550609 /nfs/dbraw/zinc/55/06/09/696550609.db2.gz IQJIXJCCGJZQSL-AWEZNQCLSA-N 2 1 315.421 1.027 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980154139 696695057 /nfs/dbraw/zinc/69/50/57/696695057.db2.gz ZKBJJNWLEQVKNZ-ARFHVFGLSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980154139 696695058 /nfs/dbraw/zinc/69/50/58/696695058.db2.gz ZKBJJNWLEQVKNZ-ARFHVFGLSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981778300 696912521 /nfs/dbraw/zinc/91/25/21/696912521.db2.gz GCBQCRHTSKTMSB-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778300 696912522 /nfs/dbraw/zinc/91/25/22/696912522.db2.gz GCBQCRHTSKTMSB-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778300 696912523 /nfs/dbraw/zinc/91/25/23/696912523.db2.gz GCBQCRHTSKTMSB-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000981816302 696928764 /nfs/dbraw/zinc/92/87/64/696928764.db2.gz WBSXYOPPURMHOA-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981816302 696928768 /nfs/dbraw/zinc/92/87/68/696928768.db2.gz WBSXYOPPURMHOA-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981816302 696928772 /nfs/dbraw/zinc/92/87/72/696928772.db2.gz WBSXYOPPURMHOA-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000981838738 696938692 /nfs/dbraw/zinc/93/86/92/696938692.db2.gz DLYMKWXGVIFCMN-UHFFFAOYSA-N 2 1 315.461 1.420 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000157386791 696977051 /nfs/dbraw/zinc/97/70/51/696977051.db2.gz BCLMYOYBALOVOU-IRXDYDNUSA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157386791 696977055 /nfs/dbraw/zinc/97/70/55/696977055.db2.gz BCLMYOYBALOVOU-IRXDYDNUSA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157386791 696977057 /nfs/dbraw/zinc/97/70/57/696977057.db2.gz BCLMYOYBALOVOU-IRXDYDNUSA-N 3 1 323.529 1.743 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982012066 697001965 /nfs/dbraw/zinc/00/19/65/697001965.db2.gz NOVZAAXOONJNCQ-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000982012066 697001968 /nfs/dbraw/zinc/00/19/68/697001968.db2.gz NOVZAAXOONJNCQ-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000982012066 697001970 /nfs/dbraw/zinc/00/19/70/697001970.db2.gz NOVZAAXOONJNCQ-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162638 697046081 /nfs/dbraw/zinc/04/60/81/697046081.db2.gz XFSASPFHKDVPQT-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331217 697068243 /nfs/dbraw/zinc/06/82/43/697068243.db2.gz KEQDQKBTVNKJOQ-HNNXBMFYSA-N 2 1 302.422 1.871 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331217 697068245 /nfs/dbraw/zinc/06/82/45/697068245.db2.gz KEQDQKBTVNKJOQ-HNNXBMFYSA-N 2 1 302.422 1.871 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296077 697086903 /nfs/dbraw/zinc/08/69/03/697086903.db2.gz JJDGVKXTRDPGSG-QRQLOZEOSA-N 2 1 317.477 1.520 20 30 DDEDMP CCN(C)c1ccc(C=[NH+]NCCC[NH+]2CCOCC2)cn1 ZINC000799489814 700145465 /nfs/dbraw/zinc/14/54/65/700145465.db2.gz DKWOCVXXCCWURU-UHFFFAOYSA-N 2 1 305.426 1.184 20 30 DDEDMP CC(=[NH+]NCCC[NH+]1CCOCC1)c1ccccc1N(C)C ZINC000799490482 700145942 /nfs/dbraw/zinc/14/59/42/700145942.db2.gz GGUGLEZPGPZKRY-UHFFFAOYSA-N 2 1 304.438 1.789 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000985529004 697525516 /nfs/dbraw/zinc/52/55/16/697525516.db2.gz CGCGVMJTHMOVQK-UHFFFAOYSA-N 2 1 323.400 1.437 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCC[C@@H]1C ZINC000303770223 698605754 /nfs/dbraw/zinc/60/57/54/698605754.db2.gz BQZGDSGZSWHUSG-JKSUJKDBSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303770223 698605756 /nfs/dbraw/zinc/60/57/56/698605756.db2.gz BQZGDSGZSWHUSG-JKSUJKDBSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000303770223 698605758 /nfs/dbraw/zinc/60/57/58/698605758.db2.gz BQZGDSGZSWHUSG-JKSUJKDBSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000303877541 698608258 /nfs/dbraw/zinc/60/82/58/698608258.db2.gz IPTOYTMEYWZQQI-JKSUJKDBSA-N 2 1 323.529 1.886 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000303877541 698608262 /nfs/dbraw/zinc/60/82/62/698608262.db2.gz IPTOYTMEYWZQQI-JKSUJKDBSA-N 3 1 323.529 1.886 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000303877541 698608265 /nfs/dbraw/zinc/60/82/65/698608265.db2.gz IPTOYTMEYWZQQI-JKSUJKDBSA-N 3 1 323.529 1.886 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358966 699305943 /nfs/dbraw/zinc/30/59/43/699305943.db2.gz KGNBXVAOCGXLDN-AIANPOQGSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358966 699305947 /nfs/dbraw/zinc/30/59/47/699305947.db2.gz KGNBXVAOCGXLDN-AIANPOQGSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358966 699305951 /nfs/dbraw/zinc/30/59/51/699305951.db2.gz KGNBXVAOCGXLDN-AIANPOQGSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991358966 699305955 /nfs/dbraw/zinc/30/59/55/699305955.db2.gz KGNBXVAOCGXLDN-AIANPOQGSA-N 2 1 307.438 1.005 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000730279060 699506289 /nfs/dbraw/zinc/50/62/89/699506289.db2.gz STSZJOMQUZMESA-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000730279060 699506290 /nfs/dbraw/zinc/50/62/90/699506290.db2.gz STSZJOMQUZMESA-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000730279060 699506291 /nfs/dbraw/zinc/50/62/91/699506291.db2.gz STSZJOMQUZMESA-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000730279060 699506292 /nfs/dbraw/zinc/50/62/92/699506292.db2.gz STSZJOMQUZMESA-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000764078644 700959963 /nfs/dbraw/zinc/95/99/63/700959963.db2.gz XXETWAXCBKAWGQ-UHFFFAOYSA-N 2 1 319.424 1.978 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000764078644 700959964 /nfs/dbraw/zinc/95/99/64/700959964.db2.gz XXETWAXCBKAWGQ-UHFFFAOYSA-N 2 1 319.424 1.978 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817922513 702522738 /nfs/dbraw/zinc/52/27/38/702522738.db2.gz XNKQCXASSDYWPF-QLFBSQMISA-N 2 1 300.468 1.488 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000852928124 704174608 /nfs/dbraw/zinc/17/46/08/704174608.db2.gz VCQZKBIMVQAXNK-QGZVFWFLSA-N 2 1 303.450 1.228 20 30 DDEDMP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000853115106 704199834 /nfs/dbraw/zinc/19/98/34/704199834.db2.gz DUUAPEOQJBYOQC-QZTJIDSGSA-N 2 1 315.417 1.435 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000820196677 704239139 /nfs/dbraw/zinc/23/91/39/704239139.db2.gz HEFAZKHSRPPHSK-KRWDZBQOSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000862756625 705791370 /nfs/dbraw/zinc/79/13/70/705791370.db2.gz VFNINJOFSGFVON-INIZCTEOSA-N 2 1 317.433 1.504 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000862756625 705791371 /nfs/dbraw/zinc/79/13/71/705791371.db2.gz VFNINJOFSGFVON-INIZCTEOSA-N 2 1 317.433 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000884457297 708304606 /nfs/dbraw/zinc/30/46/06/708304606.db2.gz YSTDRLCELUZSTQ-LSDHHAIUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000884457297 708304611 /nfs/dbraw/zinc/30/46/11/708304611.db2.gz YSTDRLCELUZSTQ-LSDHHAIUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000884457297 708304613 /nfs/dbraw/zinc/30/46/13/708304613.db2.gz YSTDRLCELUZSTQ-LSDHHAIUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000884457297 708304617 /nfs/dbraw/zinc/30/46/17/708304617.db2.gz YSTDRLCELUZSTQ-LSDHHAIUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CCN(C(=O)NCC[N@@H+]1CCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000897519686 708360679 /nfs/dbraw/zinc/36/06/79/708360679.db2.gz UDFDONXWPFKEML-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886288784 708736149 /nfs/dbraw/zinc/73/61/49/708736149.db2.gz HFBHGEWTESGPEN-HOTGVXAUSA-N 2 1 309.454 1.474 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCO1 ZINC000886288784 708736150 /nfs/dbraw/zinc/73/61/50/708736150.db2.gz HFBHGEWTESGPEN-HOTGVXAUSA-N 2 1 309.454 1.474 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000890368911 709841626 /nfs/dbraw/zinc/84/16/26/709841626.db2.gz ODDBIYUQQVLHLF-OWCLPIDISA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000890368911 709841628 /nfs/dbraw/zinc/84/16/28/709841628.db2.gz ODDBIYUQQVLHLF-OWCLPIDISA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000890368911 709841631 /nfs/dbraw/zinc/84/16/31/709841631.db2.gz ODDBIYUQQVLHLF-OWCLPIDISA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000890368911 709841634 /nfs/dbraw/zinc/84/16/34/709841634.db2.gz ODDBIYUQQVLHLF-OWCLPIDISA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000890377006 709846324 /nfs/dbraw/zinc/84/63/24/709846324.db2.gz FUXUAENGGPXVCB-IAGOWNOFSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000890377006 709846329 /nfs/dbraw/zinc/84/63/29/709846329.db2.gz FUXUAENGGPXVCB-IAGOWNOFSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000890377543 709847170 /nfs/dbraw/zinc/84/71/70/709847170.db2.gz NFGYZHUFVMAZHG-INIZCTEOSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000890377543 709847171 /nfs/dbraw/zinc/84/71/71/709847171.db2.gz NFGYZHUFVMAZHG-INIZCTEOSA-N 2 1 308.470 1.313 20 30 DDEDMP CCC[N@H+]1CCC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000906413968 712318783 /nfs/dbraw/zinc/31/87/83/712318783.db2.gz JZLFUFFQWWFRNX-INIZCTEOSA-N 2 1 308.470 1.802 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929848327 713706208 /nfs/dbraw/zinc/70/62/08/713706208.db2.gz MEOIRLSLMMEEKB-JCYILVPMSA-N 2 1 318.465 1.555 20 30 DDEDMP C#CCN(C(=O)NCC[N@H+](CC)CCC)C1CC[NH+](C)CC1 ZINC000921185819 713719523 /nfs/dbraw/zinc/71/95/23/713719523.db2.gz LHOHSRAZKSJKKA-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCC)C1CC[NH+](C)CC1 ZINC000922510530 714074436 /nfs/dbraw/zinc/07/44/36/714074436.db2.gz IGHCTJRFYSTOFK-INIZCTEOSA-N 2 1 322.497 1.846 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](C#N)C1 ZINC000923200895 714270411 /nfs/dbraw/zinc/27/04/11/714270411.db2.gz FUSRVSZSJBJDJO-LSDHHAIUSA-N 2 1 309.458 1.204 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@H](C#N)C1 ZINC000923200895 714270412 /nfs/dbraw/zinc/27/04/12/714270412.db2.gz FUSRVSZSJBJDJO-LSDHHAIUSA-N 2 1 309.458 1.204 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000923564354 714406212 /nfs/dbraw/zinc/40/62/12/714406212.db2.gz WZDHGCDBCBKJRS-HNNXBMFYSA-N 2 1 300.406 1.122 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000923564354 714406213 /nfs/dbraw/zinc/40/62/13/714406213.db2.gz WZDHGCDBCBKJRS-HNNXBMFYSA-N 2 1 300.406 1.122 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142631 715013486 /nfs/dbraw/zinc/01/34/86/715013486.db2.gz SQBZXFJDMURJIF-YFHUEUNASA-N 2 1 323.481 1.090 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288576 716896943 /nfs/dbraw/zinc/89/69/43/716896943.db2.gz XTWXAOLLHAUWTB-IRXDYDNUSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961443218 716949022 /nfs/dbraw/zinc/94/90/22/716949022.db2.gz UTAINZDRGSLUHK-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443218 716949029 /nfs/dbraw/zinc/94/90/29/716949029.db2.gz UTAINZDRGSLUHK-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443218 716949036 /nfs/dbraw/zinc/94/90/36/716949036.db2.gz UTAINZDRGSLUHK-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)c1 ZINC000962553345 717508690 /nfs/dbraw/zinc/50/86/90/717508690.db2.gz GAJJDQJPWHHPGS-DZFIZOCASA-N 2 1 324.428 1.200 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256340 717580610 /nfs/dbraw/zinc/58/06/10/717580610.db2.gz DMJVFNQOCNBPGE-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943513833 718134395 /nfs/dbraw/zinc/13/43/95/718134395.db2.gz ANVJKIDOCOKDDN-GOEBONIOSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264337 718804430 /nfs/dbraw/zinc/80/44/30/718804430.db2.gz JNVAHOQHFGIBJL-PBHICJAKSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677442 718875371 /nfs/dbraw/zinc/87/53/71/718875371.db2.gz ACHDBXXXFRLAOX-CALCHBBNSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677442 718875377 /nfs/dbraw/zinc/87/53/77/718875377.db2.gz ACHDBXXXFRLAOX-CALCHBBNSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779610 718906849 /nfs/dbraw/zinc/90/68/49/718906849.db2.gz QJAZSLFQZPVEQS-FJIDUMEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779610 718906852 /nfs/dbraw/zinc/90/68/52/718906852.db2.gz QJAZSLFQZPVEQS-FJIDUMEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779610 718906855 /nfs/dbraw/zinc/90/68/55/718906855.db2.gz QJAZSLFQZPVEQS-FJIDUMEYSA-N 2 1 319.493 1.931 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784609 718908007 /nfs/dbraw/zinc/90/80/07/718908007.db2.gz OMQBAXZEMAZQIM-BBWFWOEESA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856873 718927874 /nfs/dbraw/zinc/92/78/74/718927874.db2.gz RTYKBXKAQGFDSK-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856873 718927875 /nfs/dbraw/zinc/92/78/75/718927875.db2.gz RTYKBXKAQGFDSK-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856873 718927877 /nfs/dbraw/zinc/92/78/77/718927877.db2.gz RTYKBXKAQGFDSK-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615204 719227648 /nfs/dbraw/zinc/22/76/48/719227648.db2.gz GHDXCIMDHCEIIJ-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948705605 719659614 /nfs/dbraw/zinc/65/96/14/719659614.db2.gz IFUKURPGNTWRAO-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948705605 719659617 /nfs/dbraw/zinc/65/96/17/719659617.db2.gz IFUKURPGNTWRAO-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948705605 719659620 /nfs/dbraw/zinc/65/96/20/719659620.db2.gz IFUKURPGNTWRAO-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948705605 719659623 /nfs/dbraw/zinc/65/96/23/719659623.db2.gz IFUKURPGNTWRAO-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)C)CC[C@H]2C)CC1 ZINC000968682175 719734289 /nfs/dbraw/zinc/73/42/89/719734289.db2.gz OYVVYEVPDPOWFJ-SJLPKXTDSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC(C)C)CC[C@@H]2C)CC1 ZINC000968683122 719734403 /nfs/dbraw/zinc/73/44/03/719734403.db2.gz YQAVNYQMCFFFSF-WMZOPIPTSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968858690 719827567 /nfs/dbraw/zinc/82/75/67/719827567.db2.gz ITRLIDQXJMOEBD-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969838181 720528212 /nfs/dbraw/zinc/52/82/12/720528212.db2.gz WLXXBSRFCPHDKN-DZGCQCFKSA-N 2 1 300.406 1.220 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023553066 735307441 /nfs/dbraw/zinc/30/74/41/735307441.db2.gz UZYBFMZRDNHFSK-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023553066 735307444 /nfs/dbraw/zinc/30/74/44/735307444.db2.gz UZYBFMZRDNHFSK-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023553066 735307446 /nfs/dbraw/zinc/30/74/46/735307446.db2.gz UZYBFMZRDNHFSK-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021631779 733386086 /nfs/dbraw/zinc/38/60/86/733386086.db2.gz ADNLBAKJSYNOOB-YJBOKZPZSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663274 733416273 /nfs/dbraw/zinc/41/62/73/733416273.db2.gz BKFVECDWDGKNHA-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001021700681 733464147 /nfs/dbraw/zinc/46/41/47/733464147.db2.gz RXUPICCXOYNMPZ-HUUCEWRRSA-N 2 1 302.422 1.841 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735135 733494772 /nfs/dbraw/zinc/49/47/72/733494772.db2.gz BTWLQGLMZJDCEE-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735135 733494775 /nfs/dbraw/zinc/49/47/75/733494775.db2.gz BTWLQGLMZJDCEE-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027930791 738826363 /nfs/dbraw/zinc/82/63/63/738826363.db2.gz VJFWGJRNGWLKFS-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027930791 738826366 /nfs/dbraw/zinc/82/63/66/738826366.db2.gz VJFWGJRNGWLKFS-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001027939886 738839851 /nfs/dbraw/zinc/83/98/51/738839851.db2.gz AFBHYDCCOAIERP-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023366936 735202740 /nfs/dbraw/zinc/20/27/40/735202740.db2.gz UANQSFLHUHGGQH-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023366936 735202741 /nfs/dbraw/zinc/20/27/41/735202741.db2.gz UANQSFLHUHGGQH-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023366936 735202742 /nfs/dbraw/zinc/20/27/42/735202742.db2.gz UANQSFLHUHGGQH-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534100 735909202 /nfs/dbraw/zinc/90/92/02/735909202.db2.gz FCCAMHKWWXMIAS-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024814780 736106108 /nfs/dbraw/zinc/10/61/08/736106108.db2.gz XTVBNNYEAQBZFL-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024814780 736106110 /nfs/dbraw/zinc/10/61/10/736106110.db2.gz XTVBNNYEAQBZFL-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024814780 736106113 /nfs/dbraw/zinc/10/61/13/736106113.db2.gz XTVBNNYEAQBZFL-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024814780 736106115 /nfs/dbraw/zinc/10/61/15/736106115.db2.gz XTVBNNYEAQBZFL-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099868 737116991 /nfs/dbraw/zinc/11/69/91/737116991.db2.gz JPMJMZFJEZYDIG-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099868 737116996 /nfs/dbraw/zinc/11/69/96/737116996.db2.gz JPMJMZFJEZYDIG-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099868 737117000 /nfs/dbraw/zinc/11/70/00/737117000.db2.gz JPMJMZFJEZYDIG-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=C)C)CC1 ZINC001026508848 737626382 /nfs/dbraw/zinc/62/63/82/737626382.db2.gz OFPMCXDSKKBDAM-JCYILVPMSA-N 2 1 303.450 1.677 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=C)C)CC1 ZINC001026508848 737626383 /nfs/dbraw/zinc/62/63/83/737626383.db2.gz OFPMCXDSKKBDAM-JCYILVPMSA-N 2 1 303.450 1.677 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026892748 737942329 /nfs/dbraw/zinc/94/23/29/737942329.db2.gz AZVGKXBRLHOKEP-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001026892748 737942332 /nfs/dbraw/zinc/94/23/32/737942332.db2.gz AZVGKXBRLHOKEP-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001027979615 738901154 /nfs/dbraw/zinc/90/11/54/738901154.db2.gz FNPYEFGYSBMUQI-CABCVRRESA-N 2 1 316.449 1.980 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799997 740057911 /nfs/dbraw/zinc/05/79/11/740057911.db2.gz MKZVLGYWOMAJKW-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799997 740057913 /nfs/dbraw/zinc/05/79/13/740057913.db2.gz MKZVLGYWOMAJKW-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001037872475 751523345 /nfs/dbraw/zinc/52/33/45/751523345.db2.gz KVWSVFPVYNAIRG-ZFWWWQNUSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1CC ZINC001087607056 740674846 /nfs/dbraw/zinc/67/48/46/740674846.db2.gz ILVWESHFNZFCDD-KSZLIROESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1CC ZINC001087762970 740737957 /nfs/dbraw/zinc/73/79/57/740737957.db2.gz WDNDNLWPCSZKME-ZWKOTPCHSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)[C@@H]2CC)CC1 ZINC001087839263 740780192 /nfs/dbraw/zinc/78/01/92/740780192.db2.gz RQJHNASSEYHIBW-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088084077 741010605 /nfs/dbraw/zinc/01/06/05/741010605.db2.gz WGBOKKILEKHGLM-ZBFHGGJFSA-N 2 1 315.417 1.368 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368976 741437780 /nfs/dbraw/zinc/43/77/80/741437780.db2.gz XRWFCVQZRPZQEO-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368976 741437781 /nfs/dbraw/zinc/43/77/81/741437781.db2.gz XRWFCVQZRPZQEO-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622201 742020519 /nfs/dbraw/zinc/02/05/19/742020519.db2.gz LQOMUAHPGOKYPY-HYVNUMGLSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622201 742020522 /nfs/dbraw/zinc/02/05/22/742020522.db2.gz LQOMUAHPGOKYPY-HYVNUMGLSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622201 742020526 /nfs/dbraw/zinc/02/05/26/742020526.db2.gz LQOMUAHPGOKYPY-HYVNUMGLSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622201 742020527 /nfs/dbraw/zinc/02/05/27/742020527.db2.gz LQOMUAHPGOKYPY-HYVNUMGLSA-N 2 1 303.450 1.606 20 30 DDEDMP C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001032628553 751724893 /nfs/dbraw/zinc/72/48/93/751724893.db2.gz HCIUZYSFFNZFBI-XIRDDKMYSA-N 2 1 314.433 1.615 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C(C)C)C[C@H]32)CC1 ZINC001076605674 742819245 /nfs/dbraw/zinc/81/92/45/742819245.db2.gz MMUVIPUVQNOABA-DLBZAZTESA-N 2 1 303.450 1.273 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040370138 743036558 /nfs/dbraw/zinc/03/65/58/743036558.db2.gz XMMJLEIPTVBIQU-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048744 743338101 /nfs/dbraw/zinc/33/81/01/743338101.db2.gz DFYCOVUFVDTQMM-KRWDZBQOSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001108048744 743338108 /nfs/dbraw/zinc/33/81/08/743338108.db2.gz DFYCOVUFVDTQMM-KRWDZBQOSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035733424 751826811 /nfs/dbraw/zinc/82/68/11/751826811.db2.gz CAVPNEJKMFCWPO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182590687 743672222 /nfs/dbraw/zinc/67/22/22/743672222.db2.gz RUTUJXINCWXUII-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001127066557 743696388 /nfs/dbraw/zinc/69/63/88/743696388.db2.gz PXTZCDUGOXZOFW-SFHVURJKSA-N 2 1 313.445 1.617 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517162 743846129 /nfs/dbraw/zinc/84/61/29/743846129.db2.gz RYWBYEWWYRQTGA-ZHALLVOQSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184711887 744085372 /nfs/dbraw/zinc/08/53/72/744085372.db2.gz HSDXIOKQGYGKHF-HOTGVXAUSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001188971595 744801994 /nfs/dbraw/zinc/80/19/94/744801994.db2.gz XNHGMQBYXNTJDS-JKSUJKDBSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106149501 745126072 /nfs/dbraw/zinc/12/60/72/745126072.db2.gz NSTZVLVTFWKIEC-BZUAXINKSA-N 2 1 316.449 1.714 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC000992862241 745249539 /nfs/dbraw/zinc/24/95/39/745249539.db2.gz RZFIFZBYWUVEMD-YESZJQIVSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190889401 745368421 /nfs/dbraw/zinc/36/84/21/745368421.db2.gz JSPJJDWGZMFECT-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192435092 745785707 /nfs/dbraw/zinc/78/57/07/745785707.db2.gz JIKRDACEGFRJCB-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001031236425 745965944 /nfs/dbraw/zinc/96/59/44/745965944.db2.gz WULIGUWEAPSXPU-UHFFFAOYSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193103041 745978596 /nfs/dbraw/zinc/97/85/96/745978596.db2.gz QZWWDQCVYUYDTR-QBPKDAKJSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193103041 745978598 /nfs/dbraw/zinc/97/85/98/745978598.db2.gz QZWWDQCVYUYDTR-QBPKDAKJSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193103041 745978601 /nfs/dbraw/zinc/97/86/01/745978601.db2.gz QZWWDQCVYUYDTR-QBPKDAKJSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993332182 746004261 /nfs/dbraw/zinc/00/42/61/746004261.db2.gz AVIURUNWBUSHOL-LSDHHAIUSA-N 2 1 319.453 1.213 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226924 746312565 /nfs/dbraw/zinc/31/25/65/746312565.db2.gz IABDBHOWLWMWQN-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194238964 746317158 /nfs/dbraw/zinc/31/71/58/746317158.db2.gz RQJLXOXADFPHLD-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994273901 746559978 /nfs/dbraw/zinc/55/99/78/746559978.db2.gz ZWNGLQGTZLUTGE-GOEBONIOSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994273901 746559979 /nfs/dbraw/zinc/55/99/79/746559979.db2.gz ZWNGLQGTZLUTGE-GOEBONIOSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCF)[C@@H]2C)CC1 ZINC000994505277 746698970 /nfs/dbraw/zinc/69/89/70/746698970.db2.gz ZGUSLIVGQBYYSE-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001003056761 746946044 /nfs/dbraw/zinc/94/60/44/746946044.db2.gz SCFDDBRBUFUWMJ-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001003056761 746946048 /nfs/dbraw/zinc/94/60/48/746946048.db2.gz SCFDDBRBUFUWMJ-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)CC(C)(C)C1 ZINC001089528342 747159192 /nfs/dbraw/zinc/15/91/92/747159192.db2.gz JDHNCRPWVIGFKF-CQSZACIVSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642219 747539372 /nfs/dbraw/zinc/53/93/72/747539372.db2.gz FKKINUKSBCTERQ-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642219 747539379 /nfs/dbraw/zinc/53/93/79/747539379.db2.gz FKKINUKSBCTERQ-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642219 747539382 /nfs/dbraw/zinc/53/93/82/747539382.db2.gz FKKINUKSBCTERQ-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520236 748254860 /nfs/dbraw/zinc/25/48/60/748254860.db2.gz MCUUCYLKFIPPKE-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599072 748576883 /nfs/dbraw/zinc/57/68/83/748576883.db2.gz BVWJMBMTXVUNSL-QGZVFWFLSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCCCC)C[C@H]21 ZINC001114421395 749188184 /nfs/dbraw/zinc/18/81/84/749188184.db2.gz OZKAHCKTRAONOZ-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114421395 749188190 /nfs/dbraw/zinc/18/81/90/749188190.db2.gz OZKAHCKTRAONOZ-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCCC)C[C@H]21 ZINC001114421395 749188194 /nfs/dbraw/zinc/18/81/94/749188194.db2.gz OZKAHCKTRAONOZ-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCCC)C[C@H]21 ZINC001114421395 749188200 /nfs/dbraw/zinc/18/82/00/749188200.db2.gz OZKAHCKTRAONOZ-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995891951 749277873 /nfs/dbraw/zinc/27/78/73/749277873.db2.gz DYNBPDDIUIQZRW-HZPDHXFCSA-N 2 1 307.482 1.977 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415417 749313887 /nfs/dbraw/zinc/31/38/87/749313887.db2.gz IHEKXLZBWQXEQI-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415417 749313894 /nfs/dbraw/zinc/31/38/94/749313894.db2.gz IHEKXLZBWQXEQI-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415417 749313897 /nfs/dbraw/zinc/31/38/97/749313897.db2.gz IHEKXLZBWQXEQI-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415417 749313903 /nfs/dbraw/zinc/31/39/03/749313903.db2.gz IHEKXLZBWQXEQI-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C[NH+](C)CCCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137120458 749344451 /nfs/dbraw/zinc/34/44/51/749344451.db2.gz NUIWJKOGXAAQHC-UHFFFAOYSA-N 2 1 316.449 1.658 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699302 749732344 /nfs/dbraw/zinc/73/23/44/749732344.db2.gz MHBLPURSOXPTKO-HNNXBMFYSA-N 2 1 317.433 1.901 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001039392781 761992723 /nfs/dbraw/zinc/99/27/23/761992723.db2.gz FHCPAXVRJMXENS-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001039392781 761992726 /nfs/dbraw/zinc/99/27/26/761992726.db2.gz FHCPAXVRJMXENS-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039392781 761992729 /nfs/dbraw/zinc/99/27/29/761992729.db2.gz FHCPAXVRJMXENS-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001039392781 761992732 /nfs/dbraw/zinc/99/27/32/761992732.db2.gz FHCPAXVRJMXENS-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033836419 749960282 /nfs/dbraw/zinc/96/02/82/749960282.db2.gz BNQZRZNUTSJZQX-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033836419 749960284 /nfs/dbraw/zinc/96/02/84/749960284.db2.gz BNQZRZNUTSJZQX-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033836419 749960286 /nfs/dbraw/zinc/96/02/86/749960286.db2.gz BNQZRZNUTSJZQX-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005391623 749961384 /nfs/dbraw/zinc/96/13/84/749961384.db2.gz SISWXJCJPGEVCX-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399765 761998714 /nfs/dbraw/zinc/99/87/14/761998714.db2.gz SYAXBYJGBVSXLB-SJORKVTESA-N 2 1 315.461 1.703 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039437866 762034079 /nfs/dbraw/zinc/03/40/79/762034079.db2.gz ZUNGSMKLSJVNDJ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437866 762034088 /nfs/dbraw/zinc/03/40/88/762034088.db2.gz ZUNGSMKLSJVNDJ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437866 762034098 /nfs/dbraw/zinc/03/40/98/762034098.db2.gz ZUNGSMKLSJVNDJ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000996912506 750430790 /nfs/dbraw/zinc/43/07/90/750430790.db2.gz XHIWUQBAKFAAJB-GOSISDBHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001034660388 750641827 /nfs/dbraw/zinc/64/18/27/750641827.db2.gz AIAQIVOJTCCZPH-BRWVUGGUSA-N 2 1 305.466 1.615 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001034662167 750642983 /nfs/dbraw/zinc/64/29/83/750642983.db2.gz DZRGOROGKADTJK-KKUMJFAQSA-N 2 1 302.422 1.964 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1 ZINC001114562183 750736289 /nfs/dbraw/zinc/73/62/89/750736289.db2.gz BEPGFOXGKNMHCG-FVQHAEBGSA-N 2 1 310.401 1.961 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034737211 750793798 /nfs/dbraw/zinc/79/37/98/750793798.db2.gz HLNDEFUADPTADQ-NMFUWQPSSA-N 2 1 313.873 1.954 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114746391 751047335 /nfs/dbraw/zinc/04/73/35/751047335.db2.gz RDWOFAHQBJAWKW-WCVJEAGWSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997586146 751132627 /nfs/dbraw/zinc/13/26/27/751132627.db2.gz DFQBLQMRKLJKEH-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001078666154 754282465 /nfs/dbraw/zinc/28/24/65/754282465.db2.gz PKFUCGZFNAOUMO-CABCVRRESA-N 2 1 318.421 1.553 20 30 DDEDMP CC#CCN1CC=C(CNC(=O)c2cccc3nccn32)CC1 ZINC001000943592 762391581 /nfs/dbraw/zinc/39/15/81/762391581.db2.gz AJOPNADUNYAWGJ-UHFFFAOYSA-N 2 1 308.385 1.720 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717594 755543708 /nfs/dbraw/zinc/54/37/08/755543708.db2.gz PTXWDNAJUBIGJE-GDBMZVCRSA-N 2 1 319.453 1.071 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001079846708 755607699 /nfs/dbraw/zinc/60/76/99/755607699.db2.gz ZGYHJHHVSKELPG-RBSFLKMASA-N 2 1 302.422 1.773 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001079846708 755607703 /nfs/dbraw/zinc/60/77/03/755607703.db2.gz ZGYHJHHVSKELPG-RBSFLKMASA-N 2 1 302.422 1.773 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659358 756414877 /nfs/dbraw/zinc/41/48/77/756414877.db2.gz XUXIOKZYKYCMPT-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659358 756414881 /nfs/dbraw/zinc/41/48/81/756414881.db2.gz XUXIOKZYKYCMPT-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081659358 756414885 /nfs/dbraw/zinc/41/48/85/756414885.db2.gz XUXIOKZYKYCMPT-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081659358 756414888 /nfs/dbraw/zinc/41/48/88/756414888.db2.gz XUXIOKZYKYCMPT-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659244 756415044 /nfs/dbraw/zinc/41/50/44/756415044.db2.gz SNGNURMATDCBAH-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081659244 756415047 /nfs/dbraw/zinc/41/50/47/756415047.db2.gz SNGNURMATDCBAH-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081659244 756415050 /nfs/dbraw/zinc/41/50/50/756415050.db2.gz SNGNURMATDCBAH-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733027 756504748 /nfs/dbraw/zinc/50/47/48/756504748.db2.gz KAMFNHFHPHUIMA-KSZLIROESA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733027 756504755 /nfs/dbraw/zinc/50/47/55/756504755.db2.gz KAMFNHFHPHUIMA-KSZLIROESA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733027 756504759 /nfs/dbraw/zinc/50/47/59/756504759.db2.gz KAMFNHFHPHUIMA-KSZLIROESA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733027 756504764 /nfs/dbraw/zinc/50/47/64/756504764.db2.gz KAMFNHFHPHUIMA-KSZLIROESA-N 2 1 311.429 1.156 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040292023 762478815 /nfs/dbraw/zinc/47/88/15/762478815.db2.gz JYLIPPJCNWBGBX-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040292023 762478820 /nfs/dbraw/zinc/47/88/20/762478820.db2.gz JYLIPPJCNWBGBX-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001016950198 757501968 /nfs/dbraw/zinc/50/19/68/757501968.db2.gz JYQZKASVPUVOAO-APWZRJJASA-N 2 1 315.461 1.466 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349515 757506110 /nfs/dbraw/zinc/50/61/10/757506110.db2.gz OZLFMFASIMAGKR-KZNAEPCWSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701654 757791866 /nfs/dbraw/zinc/79/18/66/757791866.db2.gz MMOSKNSVHSCAGP-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701654 757791868 /nfs/dbraw/zinc/79/18/68/757791868.db2.gz MMOSKNSVHSCAGP-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701654 757791870 /nfs/dbraw/zinc/79/18/70/757791870.db2.gz MMOSKNSVHSCAGP-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819383 757822226 /nfs/dbraw/zinc/82/22/26/757822226.db2.gz FCHBGKQZQCNTJY-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001053260906 758317450 /nfs/dbraw/zinc/31/74/50/758317450.db2.gz MGAQEKBKUAZNCJ-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001053260906 758317458 /nfs/dbraw/zinc/31/74/58/758317458.db2.gz MGAQEKBKUAZNCJ-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018175957 758602281 /nfs/dbraw/zinc/60/22/81/758602281.db2.gz CFQPSIXYOVYUHI-XWTMOSNGSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018276792 758689763 /nfs/dbraw/zinc/68/97/63/758689763.db2.gz JHIUONWCNFPAGK-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001018276792 758689766 /nfs/dbraw/zinc/68/97/66/758689766.db2.gz JHIUONWCNFPAGK-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001054152081 759233267 /nfs/dbraw/zinc/23/32/67/759233267.db2.gz YYQKMVZONLIALS-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001054152081 759233275 /nfs/dbraw/zinc/23/32/75/759233275.db2.gz YYQKMVZONLIALS-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001054152081 759233291 /nfs/dbraw/zinc/23/32/91/759233291.db2.gz YYQKMVZONLIALS-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001054152081 759233297 /nfs/dbraw/zinc/23/32/97/759233297.db2.gz YYQKMVZONLIALS-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153635 759234703 /nfs/dbraw/zinc/23/47/03/759234703.db2.gz VHKNVDNDIOZDBS-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153635 759234710 /nfs/dbraw/zinc/23/47/10/759234710.db2.gz VHKNVDNDIOZDBS-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153635 759234715 /nfs/dbraw/zinc/23/47/15/759234715.db2.gz VHKNVDNDIOZDBS-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229113 759319418 /nfs/dbraw/zinc/31/94/18/759319418.db2.gz KHKZQTMQLJEDFA-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001019297756 759775459 /nfs/dbraw/zinc/77/54/59/759775459.db2.gz JZVJGSMAEBRPTC-KGLIPLIRSA-N 2 1 322.840 1.697 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602036 759804114 /nfs/dbraw/zinc/80/41/14/759804114.db2.gz NTMFWHMELNJIBD-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602036 759804126 /nfs/dbraw/zinc/80/41/26/759804126.db2.gz NTMFWHMELNJIBD-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207749 760125065 /nfs/dbraw/zinc/12/50/65/760125065.db2.gz QWUPYABWLHOSIF-WMZOPIPTSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207749 760125075 /nfs/dbraw/zinc/12/50/75/760125075.db2.gz QWUPYABWLHOSIF-WMZOPIPTSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085856189 760394365 /nfs/dbraw/zinc/39/43/65/760394365.db2.gz SWDHYVFZTBOLDK-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856189 760394379 /nfs/dbraw/zinc/39/43/79/760394379.db2.gz SWDHYVFZTBOLDK-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001085856189 760394387 /nfs/dbraw/zinc/39/43/87/760394387.db2.gz SWDHYVFZTBOLDK-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986713 760656491 /nfs/dbraw/zinc/65/64/91/760656491.db2.gz LKOKZVSEWUUBEI-KRWDZBQOSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986713 760656495 /nfs/dbraw/zinc/65/64/95/760656495.db2.gz LKOKZVSEWUUBEI-KRWDZBQOSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039073039 761712329 /nfs/dbraw/zinc/71/23/29/761712329.db2.gz JFKYURHFEJUHIX-OAHLLOKOSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039073039 761712335 /nfs/dbraw/zinc/71/23/35/761712335.db2.gz JFKYURHFEJUHIX-OAHLLOKOSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040850070 762705235 /nfs/dbraw/zinc/70/52/35/762705235.db2.gz WQRHCZJUYVXXFC-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001473414 762894855 /nfs/dbraw/zinc/89/48/55/762894855.db2.gz LBLUJWWHLNNKRO-KRWDZBQOSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041278801 762929575 /nfs/dbraw/zinc/92/95/75/762929575.db2.gz YRLVEBCZHMITHB-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041278801 762929579 /nfs/dbraw/zinc/92/95/79/762929579.db2.gz YRLVEBCZHMITHB-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041278801 762929588 /nfs/dbraw/zinc/92/95/88/762929588.db2.gz YRLVEBCZHMITHB-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041286326 762933794 /nfs/dbraw/zinc/93/37/94/762933794.db2.gz JUJMEXYOFBEUNI-IEBWSBKVSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050046825 763060333 /nfs/dbraw/zinc/06/03/33/763060333.db2.gz NPXAUNITHZNTGD-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046825 763060340 /nfs/dbraw/zinc/06/03/40/763060340.db2.gz NPXAUNITHZNTGD-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050046825 763060347 /nfs/dbraw/zinc/06/03/47/763060347.db2.gz NPXAUNITHZNTGD-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001041601066 763171909 /nfs/dbraw/zinc/17/19/09/763171909.db2.gz XJDTVYOODQWAPB-SJLPKXTDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001041601066 763171913 /nfs/dbraw/zinc/17/19/13/763171913.db2.gz XJDTVYOODQWAPB-SJLPKXTDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041601066 763171916 /nfs/dbraw/zinc/17/19/16/763171916.db2.gz XJDTVYOODQWAPB-SJLPKXTDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041601066 763171922 /nfs/dbraw/zinc/17/19/22/763171922.db2.gz XJDTVYOODQWAPB-SJLPKXTDSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041680266 763219063 /nfs/dbraw/zinc/21/90/63/763219063.db2.gz QPYKCRKCWRVZHN-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041680266 763219071 /nfs/dbraw/zinc/21/90/71/763219071.db2.gz QPYKCRKCWRVZHN-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041680266 763219080 /nfs/dbraw/zinc/21/90/80/763219080.db2.gz QPYKCRKCWRVZHN-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042215873 763779395 /nfs/dbraw/zinc/77/93/95/763779395.db2.gz IUYDGNADFIQKCC-DOTOQJQBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042215876 763779579 /nfs/dbraw/zinc/77/95/79/763779579.db2.gz IUYDGNADFIQKCC-WBVHZDCISA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256829 763828897 /nfs/dbraw/zinc/82/88/97/763828897.db2.gz ACICKVRTCIWDAL-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042313877 763903281 /nfs/dbraw/zinc/90/32/81/763903281.db2.gz KPOFSFLOPAEYBA-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314153 763903312 /nfs/dbraw/zinc/90/33/12/763903312.db2.gz MNXBHZASWOCGNZ-HOTGVXAUSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314666 763904942 /nfs/dbraw/zinc/90/49/42/763904942.db2.gz USBYZDGKEWNEMH-HOTGVXAUSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C[C@@H]21 ZINC001042335726 763933847 /nfs/dbraw/zinc/93/38/47/763933847.db2.gz NEEZXTAIQLBQBK-ZBFHGGJFSA-N 2 1 300.406 1.207 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371107 763974650 /nfs/dbraw/zinc/97/46/50/763974650.db2.gz LNVZSIIHWPKMCP-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042724970 764391795 /nfs/dbraw/zinc/39/17/95/764391795.db2.gz IJFFQJGMXCNZGZ-MRXNPFEDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042724970 764391805 /nfs/dbraw/zinc/39/18/05/764391805.db2.gz IJFFQJGMXCNZGZ-MRXNPFEDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287104 764782254 /nfs/dbraw/zinc/78/22/54/764782254.db2.gz BNAQAFMDGCIOQM-MRXNPFEDSA-N 2 1 301.434 1.578 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287104 764782257 /nfs/dbraw/zinc/78/22/57/764782257.db2.gz BNAQAFMDGCIOQM-MRXNPFEDSA-N 2 1 301.434 1.578 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287104 764782266 /nfs/dbraw/zinc/78/22/66/764782266.db2.gz BNAQAFMDGCIOQM-MRXNPFEDSA-N 2 1 301.434 1.578 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287104 764782272 /nfs/dbraw/zinc/78/22/72/764782272.db2.gz BNAQAFMDGCIOQM-MRXNPFEDSA-N 2 1 301.434 1.578 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425936 765814987 /nfs/dbraw/zinc/81/49/87/765814987.db2.gz HQIRBZGSXYYJPN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425936 765814994 /nfs/dbraw/zinc/81/49/94/765814994.db2.gz HQIRBZGSXYYJPN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425936 765815001 /nfs/dbraw/zinc/81/50/01/765815001.db2.gz HQIRBZGSXYYJPN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231486 768333815 /nfs/dbraw/zinc/33/38/15/768333815.db2.gz NHSJIUXPUBNBHB-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591752 765979179 /nfs/dbraw/zinc/97/91/79/765979179.db2.gz SEQFSBPSFXPHBG-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653237 766040291 /nfs/dbraw/zinc/04/02/91/766040291.db2.gz JDYGMXBJYHRDAT-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653237 766040299 /nfs/dbraw/zinc/04/02/99/766040299.db2.gz JDYGMXBJYHRDAT-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653237 766040305 /nfs/dbraw/zinc/04/03/05/766040305.db2.gz JDYGMXBJYHRDAT-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653237 766040313 /nfs/dbraw/zinc/04/03/13/766040313.db2.gz JDYGMXBJYHRDAT-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001170210599 766170372 /nfs/dbraw/zinc/17/03/72/766170372.db2.gz DLNFMSGBVYHZQR-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001114290315 766856925 /nfs/dbraw/zinc/85/69/25/766856925.db2.gz FYUMLONHDOYKPM-MWDXBVQZSA-N 2 1 303.450 1.341 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001114290316 766857132 /nfs/dbraw/zinc/85/71/32/766857132.db2.gz FYUMLONHDOYKPM-NCOADZHNSA-N 2 1 303.450 1.341 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001130419122 767522923 /nfs/dbraw/zinc/52/29/23/767522923.db2.gz LXUIIRJFFVFEEN-UHFFFAOYSA-N 2 1 302.422 1.494 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265782 768720019 /nfs/dbraw/zinc/72/00/19/768720019.db2.gz SFOLBFPISOCZFW-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365413 768778934 /nfs/dbraw/zinc/77/89/34/768778934.db2.gz JZJOMMDRVIUVGX-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365413 768778936 /nfs/dbraw/zinc/77/89/36/768778936.db2.gz JZJOMMDRVIUVGX-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071104353 768951005 /nfs/dbraw/zinc/95/10/05/768951005.db2.gz TYGSTWKECIDPAK-BBWFWOEESA-N 2 1 321.465 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@H](C)O2 ZINC001071176273 769101340 /nfs/dbraw/zinc/10/13/40/769101340.db2.gz UDMIBBNPKCSOQJ-YJBOKZPZSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071176273 769101349 /nfs/dbraw/zinc/10/13/49/769101349.db2.gz UDMIBBNPKCSOQJ-YJBOKZPZSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@H](C)O2 ZINC001071176273 769101355 /nfs/dbraw/zinc/10/13/55/769101355.db2.gz UDMIBBNPKCSOQJ-YJBOKZPZSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848652 769259186 /nfs/dbraw/zinc/25/91/86/769259186.db2.gz NWSZUXFJOWEAQW-INIZCTEOSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132883060 769284831 /nfs/dbraw/zinc/28/48/31/769284831.db2.gz NPAPJMIRVGKSKQ-RYUDHWBXSA-N 2 1 318.259 1.331 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133320132 769691141 /nfs/dbraw/zinc/69/11/41/769691141.db2.gz ZANVQNQNDMFRFT-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071689308 769883631 /nfs/dbraw/zinc/88/36/31/769883631.db2.gz INNNCUWKRIOQGQ-GOEBONIOSA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888790 770057190 /nfs/dbraw/zinc/05/71/90/770057190.db2.gz YPHDINRFYDYCAY-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888790 770057199 /nfs/dbraw/zinc/05/71/99/770057199.db2.gz YPHDINRFYDYCAY-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888790 770057209 /nfs/dbraw/zinc/05/72/09/770057209.db2.gz YPHDINRFYDYCAY-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001133845829 770353393 /nfs/dbraw/zinc/35/33/93/770353393.db2.gz OFLRGBOMRROAPD-ZDUSSCGKSA-N 2 1 318.396 1.245 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=C)C)C2)CC1 ZINC001072096297 770537701 /nfs/dbraw/zinc/53/77/01/770537701.db2.gz XFGLDTVQYXECPR-SJLPKXTDSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049508518 770945485 /nfs/dbraw/zinc/94/54/85/770945485.db2.gz PHXJPMKVYJLDPB-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049508518 770945489 /nfs/dbraw/zinc/94/54/89/770945489.db2.gz PHXJPMKVYJLDPB-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049508518 770945497 /nfs/dbraw/zinc/94/54/97/770945497.db2.gz PHXJPMKVYJLDPB-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001091204879 772615342 /nfs/dbraw/zinc/61/53/42/772615342.db2.gz OLLMWKOOFOXCHV-HWOWSKLDSA-N 2 1 316.449 1.814 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001147877012 773280953 /nfs/dbraw/zinc/28/09/53/773280953.db2.gz BXUDTGNQSQQPPL-LBPRGKRZSA-N 2 1 306.435 1.167 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677837 773296151 /nfs/dbraw/zinc/29/61/51/773296151.db2.gz UAMHCWIERFTHCU-INIZCTEOSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073746463 773370300 /nfs/dbraw/zinc/37/03/00/773370300.db2.gz YRKGFNSAHBIPTK-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746463 773370308 /nfs/dbraw/zinc/37/03/08/773370308.db2.gz YRKGFNSAHBIPTK-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073746463 773370316 /nfs/dbraw/zinc/37/03/16/773370316.db2.gz YRKGFNSAHBIPTK-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738344 773554961 /nfs/dbraw/zinc/55/49/61/773554961.db2.gz UYDYSHBKIDYAAK-NUJGCVRESA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001148657019 773568911 /nfs/dbraw/zinc/56/89/11/773568911.db2.gz MCGYFTPMFRMXIX-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657019 773568912 /nfs/dbraw/zinc/56/89/12/773568912.db2.gz MCGYFTPMFRMXIX-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001148657019 773568916 /nfs/dbraw/zinc/56/89/16/773568916.db2.gz MCGYFTPMFRMXIX-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611020 774188763 /nfs/dbraw/zinc/18/87/63/774188763.db2.gz FGUSFZCJDBEIAP-OIISXLGYSA-N 2 1 303.450 1.036 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036760912 774510579 /nfs/dbraw/zinc/51/05/79/774510579.db2.gz KWBILAZINZBBRF-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773472 774567183 /nfs/dbraw/zinc/56/71/83/774567183.db2.gz ODIRYLLPIDAGTF-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036832409 774801102 /nfs/dbraw/zinc/80/11/02/774801102.db2.gz BAJRUFVQWQDBAW-HZPDHXFCSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@H]21 ZINC001036832409 774801108 /nfs/dbraw/zinc/80/11/08/774801108.db2.gz BAJRUFVQWQDBAW-HZPDHXFCSA-N 2 1 314.433 1.563 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107147 774838562 /nfs/dbraw/zinc/83/85/62/774838562.db2.gz VXIRQGFZNLPUIT-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001099160915 774873300 /nfs/dbraw/zinc/87/33/00/774873300.db2.gz WNCMXYKJDBFGBI-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099160915 774873307 /nfs/dbraw/zinc/87/33/07/774873307.db2.gz WNCMXYKJDBFGBI-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001099160915 774873313 /nfs/dbraw/zinc/87/33/13/774873313.db2.gz WNCMXYKJDBFGBI-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099199992 774897702 /nfs/dbraw/zinc/89/77/02/774897702.db2.gz ULGVPSXTDARCQH-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036870574 775007277 /nfs/dbraw/zinc/00/72/77/775007277.db2.gz XPXPBPWTOWHFAY-LSDHHAIUSA-N 2 1 323.868 1.758 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544595 775022648 /nfs/dbraw/zinc/02/26/48/775022648.db2.gz RFULKXXOAWNFOM-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544595 775022656 /nfs/dbraw/zinc/02/26/56/775022656.db2.gz RFULKXXOAWNFOM-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544595 775022663 /nfs/dbraw/zinc/02/26/63/775022663.db2.gz RFULKXXOAWNFOM-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729908 776478586 /nfs/dbraw/zinc/47/85/86/776478586.db2.gz VIVBACVDDJNSEX-UHFFFAOYSA-N 2 1 316.449 1.904 20 30 DDEDMP C[C@H](CCCC#N)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001172493331 776798836 /nfs/dbraw/zinc/79/88/36/776798836.db2.gz ZDGDATFVJAUTKB-MCIONIFRSA-N 2 1 310.442 1.995 20 30 DDEDMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CCCC#N)CC[C@@H]2C1 ZINC001172496114 776800783 /nfs/dbraw/zinc/80/07/83/776800783.db2.gz XNIYYJWKDPSLLP-GVDBMIGSSA-N 2 1 309.454 1.738 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)CCCC#N)CC[C@@H]2C1 ZINC001172496114 776800794 /nfs/dbraw/zinc/80/07/94/776800794.db2.gz XNIYYJWKDPSLLP-GVDBMIGSSA-N 2 1 309.454 1.738 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)CCCC#N)CC[C@@H]2C1 ZINC001172496114 776800806 /nfs/dbraw/zinc/80/08/06/776800806.db2.gz XNIYYJWKDPSLLP-GVDBMIGSSA-N 2 1 309.454 1.738 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001101551720 777240418 /nfs/dbraw/zinc/24/04/18/777240418.db2.gz YWILVJYLICOKII-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103536 778640132 /nfs/dbraw/zinc/64/01/32/778640132.db2.gz MXMBKRSXSVDNMS-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103536 778640138 /nfs/dbraw/zinc/64/01/38/778640138.db2.gz MXMBKRSXSVDNMS-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103536 778640143 /nfs/dbraw/zinc/64/01/43/778640143.db2.gz MXMBKRSXSVDNMS-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234328 778726558 /nfs/dbraw/zinc/72/65/58/778726558.db2.gz LXWGDVNPKWZWGL-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234328 778726561 /nfs/dbraw/zinc/72/65/61/778726561.db2.gz LXWGDVNPKWZWGL-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407534 778849570 /nfs/dbraw/zinc/84/95/70/778849570.db2.gz HOXKREPPYJVJRG-BRWVUGGUSA-N 2 1 307.482 1.670 20 30 DDEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178106671 778873777 /nfs/dbraw/zinc/87/37/77/778873777.db2.gz HZBHESHERXHNKV-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178106671 778873783 /nfs/dbraw/zinc/87/37/83/778873783.db2.gz HZBHESHERXHNKV-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643894 778977448 /nfs/dbraw/zinc/97/74/48/778977448.db2.gz VVXMZQXRXPABJF-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103643894 778977452 /nfs/dbraw/zinc/97/74/52/778977452.db2.gz VVXMZQXRXPABJF-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103643894 778977457 /nfs/dbraw/zinc/97/74/57/778977457.db2.gz VVXMZQXRXPABJF-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CC=C)C[C@H]2C)CC1 ZINC001103751625 779029205 /nfs/dbraw/zinc/02/92/05/779029205.db2.gz JLVVBQNMDLBYNZ-SJLPKXTDSA-N 2 1 317.477 1.592 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001180331160 779732527 /nfs/dbraw/zinc/73/25/27/779732527.db2.gz DDKSEMRYCAGPKO-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001180331160 779732534 /nfs/dbraw/zinc/73/25/34/779732534.db2.gz DDKSEMRYCAGPKO-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115302507 780019650 /nfs/dbraw/zinc/01/96/50/780019650.db2.gz UFKMHIALYGPENR-HZMVEIRTSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115462180 780154263 /nfs/dbraw/zinc/15/42/63/780154263.db2.gz VZBZECIBFQETCY-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115462180 780154269 /nfs/dbraw/zinc/15/42/69/780154269.db2.gz VZBZECIBFQETCY-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C(C)C ZINC001267243822 837594299 /nfs/dbraw/zinc/59/42/99/837594299.db2.gz LOYLKCYLXVIBBW-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C(C)C ZINC001267243822 837594305 /nfs/dbraw/zinc/59/43/05/837594305.db2.gz LOYLKCYLXVIBBW-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001267243822 837594308 /nfs/dbraw/zinc/59/43/08/837594308.db2.gz LOYLKCYLXVIBBW-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001267243822 837594313 /nfs/dbraw/zinc/59/43/13/837594313.db2.gz LOYLKCYLXVIBBW-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266361610 836172437 /nfs/dbraw/zinc/17/24/37/836172437.db2.gz PBMCVBKPDDFGGO-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001266488740 836336804 /nfs/dbraw/zinc/33/68/04/836336804.db2.gz OROBRSNUIMUVAV-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001266488740 836336815 /nfs/dbraw/zinc/33/68/15/836336815.db2.gz OROBRSNUIMUVAV-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001266488740 836336825 /nfs/dbraw/zinc/33/68/25/836336825.db2.gz OROBRSNUIMUVAV-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266545359 836444619 /nfs/dbraw/zinc/44/46/19/836444619.db2.gz MSZPTRFMTJYTQY-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001266559751 836468234 /nfs/dbraw/zinc/46/82/34/836468234.db2.gz KVVRGNZRPVAKJY-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001271912349 844200071 /nfs/dbraw/zinc/20/00/71/844200071.db2.gz RTPKOFOONGTNDF-QGZVFWFLSA-N 2 1 322.497 1.217 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267086673 837317167 /nfs/dbraw/zinc/31/71/67/837317167.db2.gz BHEXFTKUNRYSLE-SJORKVTESA-N 2 1 323.481 1.692 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001267692854 838656625 /nfs/dbraw/zinc/65/66/25/838656625.db2.gz NOOMCRAMZCJMOB-UHFFFAOYSA-N 2 1 315.461 1.785 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001267956100 839263166 /nfs/dbraw/zinc/26/31/66/839263166.db2.gz URIDJGNOFUHSBC-LSDHHAIUSA-N 2 1 302.422 1.610 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC#CCOC ZINC001268776939 840784144 /nfs/dbraw/zinc/78/41/44/840784144.db2.gz RZKUDODCAZPUPF-SJORKVTESA-N 2 1 323.481 1.243 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001269079708 841184214 /nfs/dbraw/zinc/18/42/14/841184214.db2.gz QVLKEFDOJMIEJE-SJORKVTESA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001269079708 841184216 /nfs/dbraw/zinc/18/42/16/841184216.db2.gz QVLKEFDOJMIEJE-SJORKVTESA-N 2 1 303.450 1.369 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001269287475 841473037 /nfs/dbraw/zinc/47/30/37/841473037.db2.gz KBCAMVVUHOSQPI-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001269960936 842183011 /nfs/dbraw/zinc/18/30/11/842183011.db2.gz SRPOIIIBVJWIQA-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001270263005 842436055 /nfs/dbraw/zinc/43/60/55/842436055.db2.gz BMIGSPDTGMVHDF-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP Cc1cc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)ccc1C#N ZINC001206629755 861354136 /nfs/dbraw/zinc/35/41/36/861354136.db2.gz ADRZOGFSOUXHMB-LBPRGKRZSA-N 2 1 303.391 1.608 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001270796636 842907091 /nfs/dbraw/zinc/90/70/91/842907091.db2.gz IAWMNOMZBVFFCE-ZWKOTPCHSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001271099457 843213952 /nfs/dbraw/zinc/21/39/52/843213952.db2.gz DALHNBMPOICTSK-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001271099457 843213964 /nfs/dbraw/zinc/21/39/64/843213964.db2.gz DALHNBMPOICTSK-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C(C)C ZINC001326490804 861405099 /nfs/dbraw/zinc/40/50/99/861405099.db2.gz FLYFKWQCWCFQDZ-UHFFFAOYSA-N 2 1 301.434 1.708 20 30 DDEDMP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C(C)C ZINC001326490804 861405104 /nfs/dbraw/zinc/40/51/04/861405104.db2.gz FLYFKWQCWCFQDZ-UHFFFAOYSA-N 2 1 301.434 1.708 20 30 DDEDMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C(C)C ZINC001326490804 861405108 /nfs/dbraw/zinc/40/51/08/861405108.db2.gz FLYFKWQCWCFQDZ-UHFFFAOYSA-N 2 1 301.434 1.708 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001271544350 843689374 /nfs/dbraw/zinc/68/93/74/843689374.db2.gz PWCVURSPFSQQSQ-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154837589 861501091 /nfs/dbraw/zinc/50/10/91/861501091.db2.gz OTZLOFRBGQCHEN-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001154837589 861501096 /nfs/dbraw/zinc/50/10/96/861501096.db2.gz OTZLOFRBGQCHEN-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001154837589 861501098 /nfs/dbraw/zinc/50/10/98/861501098.db2.gz OTZLOFRBGQCHEN-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001272722159 846717820 /nfs/dbraw/zinc/71/78/20/846717820.db2.gz YREVHCIUSYWVMQ-BRWVUGGUSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001272722159 846717829 /nfs/dbraw/zinc/71/78/29/846717829.db2.gz YREVHCIUSYWVMQ-BRWVUGGUSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001326940135 861734079 /nfs/dbraw/zinc/73/40/79/861734079.db2.gz BBUCXQLIWPSGGO-UHFFFAOYSA-N 2 1 315.465 1.624 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997096971 847346618 /nfs/dbraw/zinc/34/66/18/847346618.db2.gz GPJYBGDIVRKFOW-BFYDXBDKSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808053 847459010 /nfs/dbraw/zinc/45/90/10/847459010.db2.gz KGYDZISPZGTKAS-KRWDZBQOSA-N 2 1 314.389 1.021 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808053 847459014 /nfs/dbraw/zinc/45/90/14/847459014.db2.gz KGYDZISPZGTKAS-KRWDZBQOSA-N 2 1 314.389 1.021 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)CC1 ZINC001272887543 847594368 /nfs/dbraw/zinc/59/43/68/847594368.db2.gz GOGFBDQSWVRNKJ-GOSISDBHSA-N 2 1 318.465 1.699 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149714896 861843006 /nfs/dbraw/zinc/84/30/06/861843006.db2.gz LDRVNOAXQPFFKE-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203235 848092864 /nfs/dbraw/zinc/09/28/64/848092864.db2.gz CNMMQKMDKNRIPD-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394169 848456142 /nfs/dbraw/zinc/45/61/42/848456142.db2.gz JTXCCPGAHPZVRS-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394169 848456145 /nfs/dbraw/zinc/45/61/45/848456145.db2.gz JTXCCPGAHPZVRS-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432384 848518408 /nfs/dbraw/zinc/51/84/08/848518408.db2.gz VRTVPINLVUTRTE-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034434476 848522686 /nfs/dbraw/zinc/52/26/86/848522686.db2.gz BACQVJSVKWGLPW-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273144047 848563270 /nfs/dbraw/zinc/56/32/70/848563270.db2.gz NTBVDCQDGXPNNC-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC2(CC[N@H+](C)C2)CC1 ZINC001273145525 848576089 /nfs/dbraw/zinc/57/60/89/848576089.db2.gz CRJJHRFQAZPCRA-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021046 862033614 /nfs/dbraw/zinc/03/36/14/862033614.db2.gz FWIPKOPIHCPWND-IRXDYDNUSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001323734216 849584310 /nfs/dbraw/zinc/58/43/10/849584310.db2.gz ZQMOZYZUCRHMKH-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150299787 862175273 /nfs/dbraw/zinc/17/52/73/862175273.db2.gz SWZYOAUGHCYKQP-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001273630719 851167144 /nfs/dbraw/zinc/16/71/44/851167144.db2.gz VQLZCBDBGQXKIR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001273630719 851167152 /nfs/dbraw/zinc/16/71/52/851167152.db2.gz VQLZCBDBGQXKIR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001151248227 862701081 /nfs/dbraw/zinc/70/10/81/862701081.db2.gz LFMWOPUPRWEVIB-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073037081 858029502 /nfs/dbraw/zinc/02/95/02/858029502.db2.gz YTJUCQVMKICYQK-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447074 858344802 /nfs/dbraw/zinc/34/48/02/858344802.db2.gz CZIAASQYGUYYAP-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447074 858344809 /nfs/dbraw/zinc/34/48/09/858344809.db2.gz CZIAASQYGUYYAP-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447074 858344814 /nfs/dbraw/zinc/34/48/14/858344814.db2.gz CZIAASQYGUYYAP-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447074 858344821 /nfs/dbraw/zinc/34/48/21/858344821.db2.gz CZIAASQYGUYYAP-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC001277007524 881594045 /nfs/dbraw/zinc/59/40/45/881594045.db2.gz TYFJFDUZIVODHW-PBHICJAKSA-N 2 1 316.424 1.765 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1ccnc1C ZINC001328799790 863234083 /nfs/dbraw/zinc/23/40/83/863234083.db2.gz ZEDDETYIFKDBHQ-INIZCTEOSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CCOCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001328799790 863234097 /nfs/dbraw/zinc/23/40/97/863234097.db2.gz ZEDDETYIFKDBHQ-INIZCTEOSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001328799790 863234118 /nfs/dbraw/zinc/23/41/18/863234118.db2.gz ZEDDETYIFKDBHQ-INIZCTEOSA-N 2 1 320.437 1.317 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329146165 863500932 /nfs/dbraw/zinc/50/09/32/863500932.db2.gz KMGOXHGGITUHCI-LSDHHAIUSA-N 2 1 320.437 1.104 20 30 DDEDMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001329515463 863706907 /nfs/dbraw/zinc/70/69/07/863706907.db2.gz NFIOATNFRRPFLU-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001329515463 863706914 /nfs/dbraw/zinc/70/69/14/863706914.db2.gz NFIOATNFRRPFLU-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001329515463 863706917 /nfs/dbraw/zinc/70/69/17/863706917.db2.gz NFIOATNFRRPFLU-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001329763925 863837471 /nfs/dbraw/zinc/83/74/71/863837471.db2.gz BJBMDOPAEUEDKY-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973825 864320510 /nfs/dbraw/zinc/32/05/10/864320510.db2.gz RBEURIYLCOANIX-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973825 864320527 /nfs/dbraw/zinc/32/05/27/864320527.db2.gz RBEURIYLCOANIX-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973825 864320545 /nfs/dbraw/zinc/32/05/45/864320545.db2.gz RBEURIYLCOANIX-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001330502246 864412311 /nfs/dbraw/zinc/41/23/11/864412311.db2.gz QEACXXFGJLUISZ-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001330898429 864687497 /nfs/dbraw/zinc/68/74/97/864687497.db2.gz HMMPBEQLOIIRJS-HIFRSBDPSA-N 2 1 304.438 1.814 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225524175 881885661 /nfs/dbraw/zinc/88/56/61/881885661.db2.gz DQLPQYDZJJYWOU-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225524175 881885678 /nfs/dbraw/zinc/88/56/78/881885678.db2.gz DQLPQYDZJJYWOU-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159908178 865587900 /nfs/dbraw/zinc/58/79/00/865587900.db2.gz GMWBFFPDUUYBAC-QGZVFWFLSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ncc(C)s1 ZINC001160198310 865721983 /nfs/dbraw/zinc/72/19/83/865721983.db2.gz ZQNKEQJERWUVQX-AWEZNQCLSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ncc(C)s1 ZINC001160198310 865721992 /nfs/dbraw/zinc/72/19/92/865721992.db2.gz ZQNKEQJERWUVQX-AWEZNQCLSA-N 2 1 320.462 1.145 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160870555 866158979 /nfs/dbraw/zinc/15/89/79/866158979.db2.gz YZRZLLMVYQNJFE-JKSUJKDBSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332901060 866235031 /nfs/dbraw/zinc/23/50/31/866235031.db2.gz XHPUWZAUVXBOKX-CABCVRRESA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332901060 866235048 /nfs/dbraw/zinc/23/50/48/866235048.db2.gz XHPUWZAUVXBOKX-CABCVRRESA-N 2 1 311.470 1.404 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986857 866249472 /nfs/dbraw/zinc/24/94/72/866249472.db2.gz ZZQLPQZXXZBGSL-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986857 866249489 /nfs/dbraw/zinc/24/94/89/866249489.db2.gz ZZQLPQZXXZBGSL-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986857 866249506 /nfs/dbraw/zinc/24/95/06/866249506.db2.gz ZZQLPQZXXZBGSL-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCc2nccn2C1)CCOC ZINC001332914083 866249769 /nfs/dbraw/zinc/24/97/69/866249769.db2.gz OOWKQLLTNILTGW-HNNXBMFYSA-N 2 1 320.437 1.086 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC#CCOC ZINC001319787005 866289818 /nfs/dbraw/zinc/28/98/18/866289818.db2.gz CNAKECJARCWKSL-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)C1 ZINC001333216784 866528852 /nfs/dbraw/zinc/52/88/52/866528852.db2.gz ZAQBSSCKORALNK-IAGOWNOFSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)C1 ZINC001333216784 866528862 /nfs/dbraw/zinc/52/88/62/866528862.db2.gz ZAQBSSCKORALNK-IAGOWNOFSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)CCC)C2)C1 ZINC001333216784 866528869 /nfs/dbraw/zinc/52/88/69/866528869.db2.gz ZAQBSSCKORALNK-IAGOWNOFSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)CCC)C2)C1 ZINC001333216784 866528875 /nfs/dbraw/zinc/52/88/75/866528875.db2.gz ZAQBSSCKORALNK-IAGOWNOFSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccccc1 ZINC001320755978 867004948 /nfs/dbraw/zinc/00/49/48/867004948.db2.gz PPFOZSFAGAFVKZ-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccccc1 ZINC001320755978 867004959 /nfs/dbraw/zinc/00/49/59/867004959.db2.gz PPFOZSFAGAFVKZ-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C[NH+]1CCC(C#N)(Nc2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001162231743 867367091 /nfs/dbraw/zinc/36/70/91/867367091.db2.gz PLQUXWWTLRBZIH-UHFFFAOYSA-N 2 1 300.410 1.343 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CC[C@H](C)C2)(COC)CC1 ZINC001162481629 867566508 /nfs/dbraw/zinc/56/65/08/867566508.db2.gz CMCALYPDEFWJEY-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001226170371 882248409 /nfs/dbraw/zinc/24/84/09/882248409.db2.gz JIZQRDJEEXBNEB-BRWVUGGUSA-N 2 1 305.466 1.900 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001317044354 870158387 /nfs/dbraw/zinc/15/83/87/870158387.db2.gz LIKUKIFLQXVJQS-BZUAXINKSA-N 2 1 314.433 1.707 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166870045 870332744 /nfs/dbraw/zinc/33/27/44/870332744.db2.gz RFCIUDBLJDZYFI-HNNXBMFYSA-N 2 1 316.449 1.816 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001316687085 871078137 /nfs/dbraw/zinc/07/81/37/871078137.db2.gz RWUXFVMCOMXKBJ-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)CCCn2ccnc2C)C1 ZINC001317806060 871530851 /nfs/dbraw/zinc/53/08/51/871530851.db2.gz QLYHOZSQSSKJJB-KRWDZBQOSA-N 2 1 316.449 1.823 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317806060 871530863 /nfs/dbraw/zinc/53/08/63/871530863.db2.gz QLYHOZSQSSKJJB-KRWDZBQOSA-N 2 1 316.449 1.823 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317806060 871530874 /nfs/dbraw/zinc/53/08/74/871530874.db2.gz QLYHOZSQSSKJJB-KRWDZBQOSA-N 2 1 316.449 1.823 20 30 DDEDMP Cc1ccc(NCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[nH+]c1 ZINC001341216646 871561737 /nfs/dbraw/zinc/56/17/37/871561737.db2.gz BTQGKFKTIKCKNN-UUCFBXCCSA-N 2 1 313.405 1.058 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001226615835 882540195 /nfs/dbraw/zinc/54/01/95/882540195.db2.gz ZUPNVZYFLVQYEN-BRWVUGGUSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703955 871723261 /nfs/dbraw/zinc/72/32/61/871723261.db2.gz QTRCOHHCBVBKIM-UHFFFAOYSA-N 2 1 320.437 1.222 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001208356153 874051999 /nfs/dbraw/zinc/05/19/99/874051999.db2.gz MJYNLIDNYRABKC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001208356153 874052015 /nfs/dbraw/zinc/05/20/15/874052015.db2.gz MJYNLIDNYRABKC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCOC)C1 ZINC001208355469 874052696 /nfs/dbraw/zinc/05/26/96/874052696.db2.gz CJMJKCRHBLQNSB-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCCOC)C1 ZINC001208355469 874052713 /nfs/dbraw/zinc/05/27/13/874052713.db2.gz CJMJKCRHBLQNSB-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475204 874172466 /nfs/dbraw/zinc/17/24/66/874172466.db2.gz SJBWGYGIGJXANV-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208707491 874402269 /nfs/dbraw/zinc/40/22/69/874402269.db2.gz LEZXCTWILYUEQT-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)cc1C#N ZINC001276608784 874608663 /nfs/dbraw/zinc/60/86/63/874608663.db2.gz VGGGXVAAZYZMNQ-IYBDPMFKSA-N 2 1 301.438 1.107 20 30 DDEDMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)cc1C#N ZINC001276608784 874608667 /nfs/dbraw/zinc/60/86/67/874608667.db2.gz VGGGXVAAZYZMNQ-IYBDPMFKSA-N 2 1 301.438 1.107 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277972 874774298 /nfs/dbraw/zinc/77/42/98/874774298.db2.gz MIUHIXPFBXDJHF-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001378411328 874834171 /nfs/dbraw/zinc/83/41/71/874834171.db2.gz CMAPLKZBQVPIAZ-HNNXBMFYSA-N 2 1 310.829 1.819 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209477654 874913316 /nfs/dbraw/zinc/91/33/16/874913316.db2.gz ICVMCNHWVOULNU-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209477654 874913326 /nfs/dbraw/zinc/91/33/26/874913326.db2.gz ICVMCNHWVOULNU-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209640324 875027187 /nfs/dbraw/zinc/02/71/87/875027187.db2.gz AULXNVKCNSOOAS-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210145074 875243930 /nfs/dbraw/zinc/24/39/30/875243930.db2.gz DLARUWKZLWCPBH-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210485944 875405521 /nfs/dbraw/zinc/40/55/21/875405521.db2.gz OKDNRGHQEBLTAE-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210485944 875405533 /nfs/dbraw/zinc/40/55/33/875405533.db2.gz OKDNRGHQEBLTAE-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210485944 875405545 /nfs/dbraw/zinc/40/55/45/875405545.db2.gz OKDNRGHQEBLTAE-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C[C@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379410969 877011078 /nfs/dbraw/zinc/01/10/78/877011078.db2.gz FRBJJNMOKFMCSI-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001276749734 877100256 /nfs/dbraw/zinc/10/02/56/877100256.db2.gz OQCAEBHAOIQNLX-OSYLJGHBSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624656 877618087 /nfs/dbraw/zinc/61/80/87/877618087.db2.gz VUVGILDGPMLBOQ-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624656 877618102 /nfs/dbraw/zinc/61/81/02/877618102.db2.gz VUVGILDGPMLBOQ-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CCC)[C@H]2C1 ZINC001219006680 877871724 /nfs/dbraw/zinc/87/17/24/877871724.db2.gz RKVZKGQITXTWIV-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219006680 877871734 /nfs/dbraw/zinc/87/17/34/877871734.db2.gz RKVZKGQITXTWIV-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CCC)[C@H]2C1 ZINC001219006680 877871747 /nfs/dbraw/zinc/87/17/47/877871747.db2.gz RKVZKGQITXTWIV-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001220078246 878692315 /nfs/dbraw/zinc/69/23/15/878692315.db2.gz LSAYRIVJZBAHNN-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220119461 878713787 /nfs/dbraw/zinc/71/37/87/878713787.db2.gz NRHMOBOJTNTAML-OAGGEKHMSA-N 2 1 323.481 1.377 20 30 DDEDMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CC2)C[C@H](C)O1 ZINC001356571138 879105720 /nfs/dbraw/zinc/10/57/20/879105720.db2.gz QBSRARCSOVJGBC-OWCLPIDISA-N 2 1 309.454 1.520 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380494796 879780956 /nfs/dbraw/zinc/78/09/56/879780956.db2.gz GZBAJMCDEUIMFD-HOCLYGCPSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380494796 879780971 /nfs/dbraw/zinc/78/09/71/879780971.db2.gz GZBAJMCDEUIMFD-HOCLYGCPSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380494796 879780985 /nfs/dbraw/zinc/78/09/85/879780985.db2.gz GZBAJMCDEUIMFD-HOCLYGCPSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380494796 879781002 /nfs/dbraw/zinc/78/10/02/879781002.db2.gz GZBAJMCDEUIMFD-HOCLYGCPSA-N 2 1 313.873 1.909 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790332 880698705 /nfs/dbraw/zinc/69/87/05/880698705.db2.gz WZFODYFEKIAOKM-IKGGRYGDSA-N 2 1 323.456 1.612 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001227661910 883121858 /nfs/dbraw/zinc/12/18/58/883121858.db2.gz OPNMYUCJIDPRFM-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001382114851 883446243 /nfs/dbraw/zinc/44/62/43/883446243.db2.gz CFOASOUDOIMJLA-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230592230 884629121 /nfs/dbraw/zinc/62/91/21/884629121.db2.gz VOTCGSCIGJKDAR-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001277655018 886337670 /nfs/dbraw/zinc/33/76/70/886337670.db2.gz HOEUPLDEZMKGAR-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](CCC#N)CC3)n(C)n1 ZINC001277938937 888575199 /nfs/dbraw/zinc/57/51/99/888575199.db2.gz JDJLJQDWPPGVGX-UHFFFAOYSA-N 2 1 301.438 1.930 20 30 DDEDMP Cc1cc(C[N@H+]2CCC3(C2)CC[NH+](CCC#N)CC3)n(C)n1 ZINC001277938937 888575213 /nfs/dbraw/zinc/57/52/13/888575213.db2.gz JDJLJQDWPPGVGX-UHFFFAOYSA-N 2 1 301.438 1.930 20 30 DDEDMP C=CCN1CC[C@@]2(C[N@@H+](C[C@H](C)[NH3+])C[C@@H]2c2ccccc2)C1=O ZINC001235499052 888683403 /nfs/dbraw/zinc/68/34/03/888683403.db2.gz XQXORFZLILVYMR-WDYCEAGBSA-N 2 1 313.445 1.838 20 30 DDEDMP CCc1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)ccc1C#N ZINC001278036653 889459837 /nfs/dbraw/zinc/45/98/37/889459837.db2.gz DAHHQTLCAPFILW-UHFFFAOYSA-N 2 1 312.461 1.800 20 30 DDEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+]C1CCC2(C[NH2+]C2)CC1 ZINC001246311225 892532213 /nfs/dbraw/zinc/53/22/13/892532213.db2.gz KZCHUWSQKHAVHS-HNNXBMFYSA-N 3 1 309.454 1.335 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001366318924 893147595 /nfs/dbraw/zinc/14/75/95/893147595.db2.gz QUXPKQGXZZEOQZ-WFASDCNBSA-N 2 1 320.462 1.698 20 30 DDEDMP N#Cc1ccc(F)c(-c2noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n2)c1 ZINC001248634522 893662187 /nfs/dbraw/zinc/66/21/87/893662187.db2.gz AGIWQOSGONSOLN-NSHDSACASA-N 2 1 317.328 1.010 20 30 DDEDMP C#CCOC[C@@H](O)C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001251903742 894880226 /nfs/dbraw/zinc/88/02/26/894880226.db2.gz OLZBJKVLEVDRAN-SFHVURJKSA-N 2 1 316.445 1.641 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001252461966 895170736 /nfs/dbraw/zinc/17/07/36/895170736.db2.gz BWADSCASQVBIJR-OAHLLOKOSA-N 2 1 305.422 1.492 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001252551531 895268355 /nfs/dbraw/zinc/26/83/55/895268355.db2.gz VNBBEKZUWVAJBU-CRAIPNDOSA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001252551531 895268367 /nfs/dbraw/zinc/26/83/67/895268367.db2.gz VNBBEKZUWVAJBU-CRAIPNDOSA-N 2 1 324.465 1.663 20 30 DDEDMP C#Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001252918607 895548261 /nfs/dbraw/zinc/54/82/61/895548261.db2.gz HYCSUXFCQJZPOS-IBGZPJMESA-N 2 1 307.397 1.534 20 30 DDEDMP C#Cc1cc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001252918607 895548265 /nfs/dbraw/zinc/54/82/65/895548265.db2.gz HYCSUXFCQJZPOS-IBGZPJMESA-N 2 1 307.397 1.534 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001367021743 895594075 /nfs/dbraw/zinc/59/40/75/895594075.db2.gz CFCQZVKOZSHTDM-KRWDZBQOSA-N 2 1 314.433 1.589 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001367021743 895594084 /nfs/dbraw/zinc/59/40/84/895594084.db2.gz CFCQZVKOZSHTDM-KRWDZBQOSA-N 2 1 314.433 1.589 20 30 DDEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001367021743 895594094 /nfs/dbraw/zinc/59/40/94/895594094.db2.gz CFCQZVKOZSHTDM-KRWDZBQOSA-N 2 1 314.433 1.589 20 30 DDEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001367021743 895594108 /nfs/dbraw/zinc/59/41/08/895594108.db2.gz CFCQZVKOZSHTDM-KRWDZBQOSA-N 2 1 314.433 1.589 20 30 DDEDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254644581 896547714 /nfs/dbraw/zinc/54/77/14/896547714.db2.gz ZIYYUFIRLIJMHW-ZIAGYGMSSA-N 2 1 322.453 1.997 20 30 DDEDMP C[NH+]1CCN(C(=O)C2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254669802 896565876 /nfs/dbraw/zinc/56/58/76/896565876.db2.gz VIOFPNFYKAYCEF-GDBMZVCRSA-N 2 1 304.438 1.165 20 30 DDEDMP C#CCCN1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC001256566748 897479448 /nfs/dbraw/zinc/47/94/48/897479448.db2.gz XUHTZLHLTJTZQM-MRXNPFEDSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001390105817 898693935 /nfs/dbraw/zinc/69/39/35/898693935.db2.gz LOAPQSKOMIKACV-AWEZNQCLSA-N 2 1 310.829 1.772 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC=C)C1 ZINC001264424760 901112447 /nfs/dbraw/zinc/11/24/47/901112447.db2.gz SXVIGRNBIICLGT-ULQDDVLXSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC=C)C1 ZINC001264424760 901112454 /nfs/dbraw/zinc/11/24/54/901112454.db2.gz SXVIGRNBIICLGT-ULQDDVLXSA-N 2 1 303.450 1.535 20 30 DDEDMP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001391625163 902176563 /nfs/dbraw/zinc/17/65/63/902176563.db2.gz UXPPQWAKVLLOBA-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001266174805 903062175 /nfs/dbraw/zinc/06/21/75/903062175.db2.gz VDNCSOZJISJJCB-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001266174805 903062184 /nfs/dbraw/zinc/06/21/84/903062184.db2.gz VDNCSOZJISJJCB-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001266174805 903062195 /nfs/dbraw/zinc/06/21/95/903062195.db2.gz VDNCSOZJISJJCB-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001266174805 903062203 /nfs/dbraw/zinc/06/22/03/903062203.db2.gz VDNCSOZJISJJCB-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001316611147 904895451 /nfs/dbraw/zinc/89/54/51/904895451.db2.gz XUUAOIIZKSIJET-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001392966074 905820830 /nfs/dbraw/zinc/82/08/30/905820830.db2.gz VNYLRBZZMDLZBA-UHFFFAOYSA-N 2 1 314.433 1.637 20 30 DDEDMP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001372118578 906503439 /nfs/dbraw/zinc/50/34/39/906503439.db2.gz YQXKGRQLYBMGFV-QGZVFWFLSA-N 2 1 316.449 1.692 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1cccc(C#N)c1 ZINC001394136799 908938388 /nfs/dbraw/zinc/93/83/88/908938388.db2.gz OHXVSIGUPWXYMH-WMLDXEAASA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001394136799 908938398 /nfs/dbraw/zinc/93/83/98/908938398.db2.gz OHXVSIGUPWXYMH-WMLDXEAASA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001394136799 908938407 /nfs/dbraw/zinc/93/84/07/908938407.db2.gz OHXVSIGUPWXYMH-WMLDXEAASA-N 2 1 314.433 1.446 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001377455184 921968639 /nfs/dbraw/zinc/96/86/39/921968639.db2.gz QFVLDOSMNXWBOH-HNNXBMFYSA-N 2 1 314.433 1.448 20 30 DDEDMP C[N@@H+](CCCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)C1CC1 ZINC000419304668 529883982 /nfs/dbraw/zinc/88/39/82/529883982.db2.gz VCPOLOZKBKUAHT-INIZCTEOSA-N 2 1 300.406 1.549 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CCCC#N)Cc1ccc(F)cc1 ZINC000424148950 529915935 /nfs/dbraw/zinc/91/59/35/529915935.db2.gz VLMVOOMUTRNADG-HNNXBMFYSA-N 2 1 306.385 1.395 20 30 DDEDMP [O-]C(NCC1CC[NH+](C2CC2)CC1)=[NH+][C@H]1CCn2ccnc2C1 ZINC000330236954 223093267 /nfs/dbraw/zinc/09/32/67/223093267.db2.gz HLMCYMXOMJDOJI-AWEZNQCLSA-N 2 1 317.437 1.576 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346451015 223356629 /nfs/dbraw/zinc/35/66/29/223356629.db2.gz YHSIBHOKRCFBNB-ZDUSSCGKSA-N 2 1 303.410 1.464 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346451015 223356632 /nfs/dbraw/zinc/35/66/32/223356632.db2.gz YHSIBHOKRCFBNB-ZDUSSCGKSA-N 2 1 303.410 1.464 20 30 DDEDMP CO[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000104161359 407348467 /nfs/dbraw/zinc/34/84/67/407348467.db2.gz ZROKYWIJXTXZDB-INIZCTEOSA-N 2 1 320.437 1.001 20 30 DDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2ccccc2OC)C1 ZINC000170910540 407551814 /nfs/dbraw/zinc/55/18/14/407551814.db2.gz BQANIMSIXXODJD-AWEZNQCLSA-N 2 1 304.438 1.831 20 30 DDEDMP C[NH+]=C(NCc1ccco1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179074150 407713510 /nfs/dbraw/zinc/71/35/10/407713510.db2.gz IKJOYRCINMACKL-CQSZACIVSA-N 2 1 306.410 1.009 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272425526 407914762 /nfs/dbraw/zinc/91/47/62/407914762.db2.gz HBXPVNNHJDUODD-RDJZCZTQSA-N 2 1 301.434 1.789 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272425526 407914764 /nfs/dbraw/zinc/91/47/64/407914764.db2.gz HBXPVNNHJDUODD-RDJZCZTQSA-N 2 1 301.434 1.789 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000154160288 407985146 /nfs/dbraw/zinc/98/51/46/407985146.db2.gz QIASGKXMNXOQCX-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000245929920 408100988 /nfs/dbraw/zinc/10/09/88/408100988.db2.gz IBGVANJSTLPLJK-DOTOQJQBSA-N 2 1 320.481 1.763 20 30 DDEDMP CC[NH+]=C(NCc1ccn(C)c1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158565180 408347981 /nfs/dbraw/zinc/34/79/81/408347981.db2.gz MXSGOSLOMHMLAC-GOEBONIOSA-N 2 1 305.470 1.809 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000177785220 408710298 /nfs/dbraw/zinc/71/02/98/408710298.db2.gz ONSDIQFTPPIRMB-UKRRQHHQSA-N 2 1 306.454 1.561 20 30 DDEDMP C[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000287551620 409054297 /nfs/dbraw/zinc/05/42/97/409054297.db2.gz PTQCKISHYVMKDX-DOTOQJQBSA-N 2 1 324.432 1.792 20 30 DDEDMP C[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000287551620 409054299 /nfs/dbraw/zinc/05/42/99/409054299.db2.gz PTQCKISHYVMKDX-DOTOQJQBSA-N 2 1 324.432 1.792 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncccc1N(C)C ZINC000290422228 409396557 /nfs/dbraw/zinc/39/65/57/409396557.db2.gz AEXBEIIRVNLKIR-ZDUSSCGKSA-N 2 1 304.442 1.036 20 30 DDEDMP COc1cccc(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)c1 ZINC000303880598 409554105 /nfs/dbraw/zinc/55/41/05/409554105.db2.gz KICNCPILWOITNK-UHFFFAOYSA-N 2 1 305.426 1.059 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000296505475 409589557 /nfs/dbraw/zinc/58/95/57/409589557.db2.gz GJNPBHKLINDLIM-UHFFFAOYSA-N 2 1 302.422 1.825 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329100708 410100064 /nfs/dbraw/zinc/10/00/64/410100064.db2.gz DUMMOOBXPHUUHZ-OAHLLOKOSA-N 2 1 324.469 1.229 20 30 DDEDMP C=CCOc1ccccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352525367 410662271 /nfs/dbraw/zinc/66/22/71/410662271.db2.gz FZCMMFRPDIDHSG-KRWDZBQOSA-N 2 1 301.434 1.731 20 30 DDEDMP C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261650138 222252900 /nfs/dbraw/zinc/25/29/00/222252900.db2.gz FBOQKEQOVUSYQH-CQSZACIVSA-N 2 1 316.453 1.049 20 30 DDEDMP C[NH+]=C(NCc1cccc(N(C)C)n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261650138 222252903 /nfs/dbraw/zinc/25/29/03/222252903.db2.gz FBOQKEQOVUSYQH-CQSZACIVSA-N 2 1 316.453 1.049 20 30 DDEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261942714 222261800 /nfs/dbraw/zinc/26/18/00/222261800.db2.gz DXWMIXMEFYUTSH-HRCADAONSA-N 2 1 320.485 1.682 20 30 DDEDMP C=CC[N@H+](CC(C)(C)[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262026702 222270366 /nfs/dbraw/zinc/27/03/66/222270366.db2.gz WRJGATWFAVOEFO-CYBMUJFWSA-N 2 1 300.410 1.949 20 30 DDEDMP C=CC[N@@H+](CC(C)(C)[NH3+])[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262026702 222270369 /nfs/dbraw/zinc/27/03/69/222270369.db2.gz WRJGATWFAVOEFO-CYBMUJFWSA-N 2 1 300.410 1.949 20 30 DDEDMP Cc1nc(C[NH+]2CCC(CNC3=[NH+]C[C@@H](C)N3)CC2)oc1C ZINC000262200916 222272623 /nfs/dbraw/zinc/27/26/23/222272623.db2.gz ATYZEOFDVOKATI-LLVKDONJSA-N 2 1 305.426 1.441 20 30 DDEDMP COc1cccc([C@@H](CNC2=[NH+]CCN2C)[NH+]2CCCC2)c1 ZINC000262675875 222288543 /nfs/dbraw/zinc/28/85/43/222288543.db2.gz TXXRXOJFUGBXIW-MRXNPFEDSA-N 2 1 302.422 1.723 20 30 DDEDMP C#CCNC(NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)=[NH+]C ZINC000262752281 222290558 /nfs/dbraw/zinc/29/05/58/222290558.db2.gz CGTPQVMGOWIBPS-UHFFFAOYSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CCNC(NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)=[NH+]C ZINC000262752281 222290560 /nfs/dbraw/zinc/29/05/60/222290560.db2.gz CGTPQVMGOWIBPS-UHFFFAOYSA-N 2 1 320.481 1.598 20 30 DDEDMP C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000262913679 222299329 /nfs/dbraw/zinc/29/93/29/222299329.db2.gz SSZIFJLHTURPEF-MRXNPFEDSA-N 2 1 307.486 1.288 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(OC)cc1 ZINC000264074571 222313951 /nfs/dbraw/zinc/31/39/51/222313951.db2.gz FGKUUALFOTVSPL-HOCLYGCPSA-N 2 1 320.437 1.117 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1OC ZINC000264106088 222317588 /nfs/dbraw/zinc/31/75/88/222317588.db2.gz NVHGABZPULLNPU-OAHLLOKOSA-N 2 1 304.438 1.626 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377923707 418717341 /nfs/dbraw/zinc/71/73/41/418717341.db2.gz OALSBSLSOZOKPK-KRWDZBQOSA-N 2 1 311.445 1.966 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424136501 228233663 /nfs/dbraw/zinc/23/36/63/228233663.db2.gz QSNRULQPQJSYHA-IAGOWNOFSA-N 2 1 314.433 1.788 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000491372066 421197445 /nfs/dbraw/zinc/19/74/45/421197445.db2.gz HNJUNFNKRZUORI-INIZCTEOSA-N 2 1 308.470 1.363 20 30 DDEDMP C=CCN(CCOC)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000639608690 423602604 /nfs/dbraw/zinc/60/26/04/423602604.db2.gz MGFRVQGKKRRRBD-SFHVURJKSA-N 2 1 304.434 1.758 20 30 DDEDMP C=CC[N@@H+](CCOC)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000639608690 423602609 /nfs/dbraw/zinc/60/26/09/423602609.db2.gz MGFRVQGKKRRRBD-SFHVURJKSA-N 2 1 304.434 1.758 20 30 DDEDMP C=CC[N@H+](CCOC)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000639608690 423602614 /nfs/dbraw/zinc/60/26/14/423602614.db2.gz MGFRVQGKKRRRBD-SFHVURJKSA-N 2 1 304.434 1.758 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000491524819 526922215 /nfs/dbraw/zinc/92/22/15/526922215.db2.gz OAHNCPBHIBRLQV-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980244177 696717048 /nfs/dbraw/zinc/71/70/48/696717048.db2.gz XWQJFWNILDIXPS-HRCADAONSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980244177 696717050 /nfs/dbraw/zinc/71/70/50/696717050.db2.gz XWQJFWNILDIXPS-HRCADAONSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974674691 695709659 /nfs/dbraw/zinc/70/96/59/695709659.db2.gz ROZYNZVYALSMRQ-GJZGRUSLSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974674691 695709661 /nfs/dbraw/zinc/70/96/61/695709661.db2.gz ROZYNZVYALSMRQ-GJZGRUSLSA-N 2 1 314.433 1.610 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974735403 695721581 /nfs/dbraw/zinc/72/15/81/695721581.db2.gz ZTQYSSJDRPOIPA-INIZCTEOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000975109931 695796602 /nfs/dbraw/zinc/79/66/02/695796602.db2.gz NBQOUJLZXWRBOO-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000975109931 695796604 /nfs/dbraw/zinc/79/66/04/695796604.db2.gz NBQOUJLZXWRBOO-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975109931 695796605 /nfs/dbraw/zinc/79/66/05/695796605.db2.gz NBQOUJLZXWRBOO-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C(C)(C)C1 ZINC000975109931 695796607 /nfs/dbraw/zinc/79/66/07/695796607.db2.gz NBQOUJLZXWRBOO-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP Cc1cccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000104174537 696619415 /nfs/dbraw/zinc/61/94/15/696619415.db2.gz WALPUNJWIKPMRA-HNNXBMFYSA-N 2 1 303.454 1.605 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981930067 696973145 /nfs/dbraw/zinc/97/31/45/696973145.db2.gz HRNNIIUXOOBGKD-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081303 697024934 /nfs/dbraw/zinc/02/49/34/697024934.db2.gz OHNFOQUHOLMLAJ-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982081303 697024936 /nfs/dbraw/zinc/02/49/36/697024936.db2.gz OHNFOQUHOLMLAJ-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163516 697046352 /nfs/dbraw/zinc/04/63/52/697046352.db2.gz DJIOIIFGGCUJQH-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163516 697046355 /nfs/dbraw/zinc/04/63/55/697046355.db2.gz DJIOIIFGGCUJQH-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163516 697046357 /nfs/dbraw/zinc/04/63/57/697046357.db2.gz DJIOIIFGGCUJQH-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000748748311 700132762 /nfs/dbraw/zinc/13/27/62/700132762.db2.gz FYYPITPVBYPJDL-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000748748311 700132764 /nfs/dbraw/zinc/13/27/64/700132764.db2.gz FYYPITPVBYPJDL-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000748748311 700132766 /nfs/dbraw/zinc/13/27/66/700132766.db2.gz FYYPITPVBYPJDL-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000748748311 700132768 /nfs/dbraw/zinc/13/27/68/700132768.db2.gz FYYPITPVBYPJDL-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178571933 697426229 /nfs/dbraw/zinc/42/62/29/697426229.db2.gz JVZXPLFNSFONCR-GOEBONIOSA-N 2 1 310.486 1.970 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC000987190910 698028630 /nfs/dbraw/zinc/02/86/30/698028630.db2.gz KVDHGQWWLULMDN-KGLIPLIRSA-N 2 1 315.845 1.040 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990691291 699133859 /nfs/dbraw/zinc/13/38/59/699133859.db2.gz USUZARVHEIMNIW-JFIYKMOQSA-N 2 1 301.434 1.075 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737958290 699748693 /nfs/dbraw/zinc/74/86/93/699748693.db2.gz XOUKDNHVWPFTKQ-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000737958290 699748694 /nfs/dbraw/zinc/74/86/94/699748694.db2.gz XOUKDNHVWPFTKQ-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C[NH+](C)CCCNC(=S)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848405266 703547111 /nfs/dbraw/zinc/54/71/11/703547111.db2.gz DYNBIRACXNFRSC-CQSZACIVSA-N 2 1 311.499 1.407 20 30 DDEDMP C[NH+](C)CCCNC(=S)NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848405266 703547112 /nfs/dbraw/zinc/54/71/12/703547112.db2.gz DYNBIRACXNFRSC-CQSZACIVSA-N 2 1 311.499 1.407 20 30 DDEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@H]21 ZINC000877248535 706033819 /nfs/dbraw/zinc/03/38/19/706033819.db2.gz BDFUSURMXDEMTH-KBAYOESNSA-N 2 1 324.428 1.298 20 30 DDEDMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834494821 707070679 /nfs/dbraw/zinc/07/06/79/707070679.db2.gz PSLNGHWBFODRHF-DLBZAZTESA-N 2 1 314.433 1.760 20 30 DDEDMP C[NH+](C)CCCNC(=S)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834957893 707152763 /nfs/dbraw/zinc/15/27/63/707152763.db2.gz WBSCDFZXYGHOKC-UHFFFAOYSA-N 2 1 305.451 1.335 20 30 DDEDMP C=CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883185052 707950241 /nfs/dbraw/zinc/95/02/41/707950241.db2.gz NCZZKGYUQRTJFE-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[C@@H](C)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000883436768 708001229 /nfs/dbraw/zinc/00/12/29/708001229.db2.gz AJAJFOIBDXVQAT-CABCVRRESA-N 2 1 303.454 1.963 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000884022664 708106157 /nfs/dbraw/zinc/10/61/57/708106157.db2.gz NCZGVDSESRDVGW-INIZCTEOSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000884022664 708106160 /nfs/dbraw/zinc/10/61/60/708106160.db2.gz NCZGVDSESRDVGW-INIZCTEOSA-N 2 1 306.454 1.256 20 30 DDEDMP CCC[N@@H+](C)CC(C)(C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884424930 708291936 /nfs/dbraw/zinc/29/19/36/708291936.db2.gz PJNWWAYKRPFHLH-XOYHFGRZSA-N 2 1 306.454 1.362 20 30 DDEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000923280435 714295676 /nfs/dbraw/zinc/29/56/76/714295676.db2.gz GJLZLKVWRWIFGG-CVEARBPZSA-N 2 1 320.433 1.444 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](NC(C)=O)c1ccccc1F ZINC000926490624 715076039 /nfs/dbraw/zinc/07/60/39/715076039.db2.gz PNOYNPQMLWQTMQ-KDOFPFPSSA-N 2 1 319.424 1.936 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](NC(C)=O)c1ccccc1F ZINC000926490624 715076042 /nfs/dbraw/zinc/07/60/42/715076042.db2.gz PNOYNPQMLWQTMQ-KDOFPFPSSA-N 2 1 319.424 1.936 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000960323297 716491403 /nfs/dbraw/zinc/49/14/03/716491403.db2.gz FONWAGSGWSAGIY-POZUXBRTSA-N 2 1 311.429 1.333 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC1 ZINC000960678320 716654199 /nfs/dbraw/zinc/65/41/99/716654199.db2.gz ZGAKGNUQBCMGSC-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960678320 716654202 /nfs/dbraw/zinc/65/42/02/716654202.db2.gz ZGAKGNUQBCMGSC-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC1 ZINC000960678320 716654206 /nfs/dbraw/zinc/65/42/06/716654206.db2.gz ZGAKGNUQBCMGSC-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC1 ZINC000960678320 716654208 /nfs/dbraw/zinc/65/42/08/716654208.db2.gz ZGAKGNUQBCMGSC-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961267339 716888610 /nfs/dbraw/zinc/88/86/10/716888610.db2.gz HKYGTKNBLNCYAP-JKSUJKDBSA-N 2 1 314.433 1.156 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961346081 716918538 /nfs/dbraw/zinc/91/85/38/716918538.db2.gz AAGNVHXVUAQAQX-PIIMJCKOSA-N 2 1 311.429 1.084 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961350512 716919913 /nfs/dbraw/zinc/91/99/13/716919913.db2.gz XQHSTQXCLADGSW-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000940736703 716936653 /nfs/dbraw/zinc/93/66/53/716936653.db2.gz IRYMVVRMZLIJTE-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736703 716936656 /nfs/dbraw/zinc/93/66/56/716936656.db2.gz IRYMVVRMZLIJTE-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736703 716936659 /nfs/dbraw/zinc/93/66/59/716936659.db2.gz IRYMVVRMZLIJTE-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002344 717070096 /nfs/dbraw/zinc/07/00/96/717070096.db2.gz HQYZEOUMQVNCAA-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943877515 718213861 /nfs/dbraw/zinc/21/38/61/718213861.db2.gz ODDMEZANZYZJME-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C[C@H]2C)CC1 ZINC000945176989 718414641 /nfs/dbraw/zinc/41/46/41/718414641.db2.gz AGOTTZSBTAAMSD-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)C)C[C@@H]2C)CC1 ZINC000945184209 718416885 /nfs/dbraw/zinc/41/68/85/718416885.db2.gz VOZNJRLTEWYRBV-WMZOPIPTSA-N 2 1 317.477 1.734 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946623361 718856570 /nfs/dbraw/zinc/85/65/70/718856570.db2.gz JDGBOYPRLXSUNT-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779251 718906009 /nfs/dbraw/zinc/90/60/09/718906009.db2.gz LRVXTZYJQFKEKJ-ZJPYXAASSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779251 718906011 /nfs/dbraw/zinc/90/60/11/718906011.db2.gz LRVXTZYJQFKEKJ-ZJPYXAASSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779251 718906012 /nfs/dbraw/zinc/90/60/12/718906012.db2.gz LRVXTZYJQFKEKJ-ZJPYXAASSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771771 719265967 /nfs/dbraw/zinc/26/59/67/719265967.db2.gz RBSAQZRGBQSLMZ-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771771 719265968 /nfs/dbraw/zinc/26/59/68/719265968.db2.gz RBSAQZRGBQSLMZ-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCF)CC1 ZINC000948449679 719505116 /nfs/dbraw/zinc/50/51/16/719505116.db2.gz UVFFEFIHOMJHHP-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCF)CC1 ZINC000948449679 719505120 /nfs/dbraw/zinc/50/51/20/719505120.db2.gz UVFFEFIHOMJHHP-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCF)CC1 ZINC000948449679 719505125 /nfs/dbraw/zinc/50/51/25/719505125.db2.gz UVFFEFIHOMJHHP-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCF)CC1 ZINC000948449679 719505129 /nfs/dbraw/zinc/50/51/29/719505129.db2.gz UVFFEFIHOMJHHP-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC)CC[C@@H]2C)CC1 ZINC000968682370 719734272 /nfs/dbraw/zinc/73/42/72/719734272.db2.gz QEXLJOPXTQOLRB-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000968888281 719845752 /nfs/dbraw/zinc/84/57/52/719845752.db2.gz SIIIDGIOTBZAFN-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888281 719845759 /nfs/dbraw/zinc/84/57/59/719845759.db2.gz SIIIDGIOTBZAFN-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000968888281 719845767 /nfs/dbraw/zinc/84/57/67/719845767.db2.gz SIIIDGIOTBZAFN-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000969692321 720252403 /nfs/dbraw/zinc/25/24/03/720252403.db2.gz HTOIWJWFYMCRQD-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001021047748 732913709 /nfs/dbraw/zinc/91/37/09/732913709.db2.gz NHTFEJAVWFLYKM-ULQDDVLXSA-N 2 1 312.417 1.247 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021644152 733397828 /nfs/dbraw/zinc/39/78/28/733397828.db2.gz DWLUDCQGAIMTAE-CVEARBPZSA-N 2 1 300.406 1.219 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001022440179 734538193 /nfs/dbraw/zinc/53/81/93/734538193.db2.gz KCVNIQRTWVQBAD-OKILXGFUSA-N 2 1 302.422 1.575 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023366937 735202785 /nfs/dbraw/zinc/20/27/85/735202785.db2.gz UANQSFLHUHGGQH-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023366937 735202786 /nfs/dbraw/zinc/20/27/86/735202786.db2.gz UANQSFLHUHGGQH-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023366937 735202787 /nfs/dbraw/zinc/20/27/87/735202787.db2.gz UANQSFLHUHGGQH-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438300 735827479 /nfs/dbraw/zinc/82/74/79/735827479.db2.gz LBUXBUGNVSKKGD-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296733 736413772 /nfs/dbraw/zinc/41/37/72/736413772.db2.gz VNRPQDFQOHEYMK-SJORKVTESA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296733 736413774 /nfs/dbraw/zinc/41/37/74/736413774.db2.gz VNRPQDFQOHEYMK-SJORKVTESA-N 2 1 314.433 1.670 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]12 ZINC001026313884 737339218 /nfs/dbraw/zinc/33/92/18/737339218.db2.gz RSNXGXZJWZEUGZ-OWCLPIDISA-N 2 1 302.422 1.594 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908632 737364619 /nfs/dbraw/zinc/36/46/19/737364619.db2.gz FIVSJWNVESCBSE-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104909011 737366500 /nfs/dbraw/zinc/36/65/00/737366500.db2.gz SVZZGXSDPCUZDA-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008317828 737508571 /nfs/dbraw/zinc/50/85/71/737508571.db2.gz XKYFTIFQRLGXAY-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008317828 737508573 /nfs/dbraw/zinc/50/85/73/737508573.db2.gz XKYFTIFQRLGXAY-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2cnccc2OC)C1 ZINC001027462449 738316576 /nfs/dbraw/zinc/31/65/76/738316576.db2.gz YGGFBUGACKBKMU-OAHLLOKOSA-N 2 1 303.406 1.742 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001027979647 738900985 /nfs/dbraw/zinc/90/09/85/738900985.db2.gz GGMOUVOXVKLBQZ-LSDHHAIUSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211703102 739129702 /nfs/dbraw/zinc/12/97/02/739129702.db2.gz VCSKIKDQSWYPJH-ZWKOTPCHSA-N 2 1 313.445 1.546 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028681176 739911812 /nfs/dbraw/zinc/91/18/12/739911812.db2.gz PWQFKXLWBDRMGQ-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001037872474 751523527 /nfs/dbraw/zinc/52/35/27/751523527.db2.gz KVWSVFPVYNAIRG-UKRRQHHQSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573961 740659983 /nfs/dbraw/zinc/65/99/83/740659983.db2.gz LZPQJKWGIYKZCD-YESZJQIVSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001087773741 740743316 /nfs/dbraw/zinc/74/33/16/740743316.db2.gz FEYFIIURXCCDAW-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992281 740933529 /nfs/dbraw/zinc/93/35/29/740933529.db2.gz NJNCSDBBWYCHPB-SQNIBIBYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992281 740933532 /nfs/dbraw/zinc/93/35/32/740933532.db2.gz NJNCSDBBWYCHPB-SQNIBIBYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992281 740933534 /nfs/dbraw/zinc/93/35/34/740933534.db2.gz NJNCSDBBWYCHPB-SQNIBIBYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992828 740933615 /nfs/dbraw/zinc/93/36/15/740933615.db2.gz OKBUTMGKELGOHR-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993495 740934396 /nfs/dbraw/zinc/93/43/96/740934396.db2.gz QDHIERNVGFZJDM-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]2C1 ZINC001088021673 740952629 /nfs/dbraw/zinc/95/26/29/740952629.db2.gz YTSQOBGZZUBIAE-CVEARBPZSA-N 2 1 322.412 1.670 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208429 741108417 /nfs/dbraw/zinc/10/84/17/741108417.db2.gz ZFFIABYWJWEDJR-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208429 741108418 /nfs/dbraw/zinc/10/84/18/741108418.db2.gz ZFFIABYWJWEDJR-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208429 741108421 /nfs/dbraw/zinc/10/84/21/741108421.db2.gz ZFFIABYWJWEDJR-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208429 741108425 /nfs/dbraw/zinc/10/84/25/741108425.db2.gz ZFFIABYWJWEDJR-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208429 741108428 /nfs/dbraw/zinc/10/84/28/741108428.db2.gz ZFFIABYWJWEDJR-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810082 742415169 /nfs/dbraw/zinc/41/51/69/742415169.db2.gz DQWNRYHRDBSBGR-IKGGRYGDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810082 742415172 /nfs/dbraw/zinc/41/51/72/742415172.db2.gz DQWNRYHRDBSBGR-IKGGRYGDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810082 742415174 /nfs/dbraw/zinc/41/51/74/742415174.db2.gz DQWNRYHRDBSBGR-IKGGRYGDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161427 742579365 /nfs/dbraw/zinc/57/93/65/742579365.db2.gz NCCKLWRRBDMKPC-GVDBMIGSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161427 742579368 /nfs/dbraw/zinc/57/93/68/742579368.db2.gz NCCKLWRRBDMKPC-GVDBMIGSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161427 742579372 /nfs/dbraw/zinc/57/93/72/742579372.db2.gz NCCKLWRRBDMKPC-GVDBMIGSSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035706669 751792727 /nfs/dbraw/zinc/79/27/27/751792727.db2.gz NFUADAVUWBZRMT-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181440488 743210689 /nfs/dbraw/zinc/21/06/89/743210689.db2.gz HKOFPCXNXPCHRK-ZIFCJYIRSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001181441125 743210959 /nfs/dbraw/zinc/21/09/59/743210959.db2.gz LMCXNNMRSKOZAL-ZHALLVOQSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431186 744205553 /nfs/dbraw/zinc/20/55/53/744205553.db2.gz QQBDFHJGTVTKRZ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)[C@H]1C ZINC001088862488 744253038 /nfs/dbraw/zinc/25/30/38/744253038.db2.gz BJONMDBNJFUPFK-HIFRSBDPSA-N 2 1 318.421 1.649 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089061145 744480144 /nfs/dbraw/zinc/48/01/44/744480144.db2.gz ZMAJYLKYQASUAU-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035836815 751931968 /nfs/dbraw/zinc/93/19/68/751931968.db2.gz NJROSYTXPCUXHU-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169410 744656261 /nfs/dbraw/zinc/65/62/61/744656261.db2.gz GESBSASDXOYEOS-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169410 744656263 /nfs/dbraw/zinc/65/62/63/744656263.db2.gz GESBSASDXOYEOS-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405658 744705631 /nfs/dbraw/zinc/70/56/31/744705631.db2.gz MIZOSFOIEHBKLT-DOTOQJQBSA-N 2 1 312.417 1.074 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992286795 744751932 /nfs/dbraw/zinc/75/19/32/744751932.db2.gz OLXSJGBNEVRQFX-HKUYNNGSSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190445328 745210066 /nfs/dbraw/zinc/21/00/66/745210066.db2.gz XFHIZTAFUAOGKM-OAHLLOKOSA-N 2 1 319.474 1.979 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCOCC)C1 ZINC001190725769 745308208 /nfs/dbraw/zinc/30/82/08/745308208.db2.gz RFPJKLAKHGZUNL-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCOCC)C1 ZINC001190725769 745308212 /nfs/dbraw/zinc/30/82/12/745308212.db2.gz RFPJKLAKHGZUNL-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCOCC)C1 ZINC001190725769 745308217 /nfs/dbraw/zinc/30/82/17/745308217.db2.gz RFPJKLAKHGZUNL-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCOCC)C1 ZINC001190725769 745308222 /nfs/dbraw/zinc/30/82/22/745308222.db2.gz RFPJKLAKHGZUNL-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCOCC)C1 ZINC001190725769 745308226 /nfs/dbraw/zinc/30/82/26/745308226.db2.gz RFPJKLAKHGZUNL-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001191011274 745403518 /nfs/dbraw/zinc/40/35/18/745403518.db2.gz SNAPGJDRHRCLTJ-CVEARBPZSA-N 2 1 316.449 1.944 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001191011243 745403592 /nfs/dbraw/zinc/40/35/92/745403592.db2.gz SFHPAEIZDRGQJX-LSDHHAIUSA-N 2 1 302.422 1.554 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989559 745660150 /nfs/dbraw/zinc/66/01/50/745660150.db2.gz YQVBNNFNDYAPAX-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989559 745660154 /nfs/dbraw/zinc/66/01/54/745660154.db2.gz YQVBNNFNDYAPAX-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671878 745857884 /nfs/dbraw/zinc/85/78/84/745857884.db2.gz SATNZXHUMBJDBH-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671878 745857890 /nfs/dbraw/zinc/85/78/90/745857890.db2.gz SATNZXHUMBJDBH-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671878 745857892 /nfs/dbraw/zinc/85/78/92/745857892.db2.gz SATNZXHUMBJDBH-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001193098320 745976619 /nfs/dbraw/zinc/97/66/19/745976619.db2.gz FVHXZDUAQXSUJZ-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193098320 745976626 /nfs/dbraw/zinc/97/66/26/745976626.db2.gz FVHXZDUAQXSUJZ-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193098320 745976630 /nfs/dbraw/zinc/97/66/30/745976630.db2.gz FVHXZDUAQXSUJZ-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206207 746012842 /nfs/dbraw/zinc/01/28/42/746012842.db2.gz XWIYMFXDLYCLHJ-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001195006479 746510508 /nfs/dbraw/zinc/51/05/08/746510508.db2.gz JEQLEHIVXNWZEJ-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007331676 752098527 /nfs/dbraw/zinc/09/85/27/752098527.db2.gz DIKJYRAYVGOHJW-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007331676 752098537 /nfs/dbraw/zinc/09/85/37/752098537.db2.gz DIKJYRAYVGOHJW-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195214840 746550906 /nfs/dbraw/zinc/55/09/06/746550906.db2.gz NRHMOBOJTNTAML-ARFHVFGLSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196269501 746812955 /nfs/dbraw/zinc/81/29/55/746812955.db2.gz VYMALCIWFKRDPM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196269501 746812961 /nfs/dbraw/zinc/81/29/61/746812961.db2.gz VYMALCIWFKRDPM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269501 746812968 /nfs/dbraw/zinc/81/29/68/746812968.db2.gz VYMALCIWFKRDPM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196269501 746812974 /nfs/dbraw/zinc/81/29/74/746812974.db2.gz VYMALCIWFKRDPM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536357 747165224 /nfs/dbraw/zinc/16/52/24/747165224.db2.gz BYMKZXOTRWPABT-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536357 747165228 /nfs/dbraw/zinc/16/52/28/747165228.db2.gz BYMKZXOTRWPABT-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536357 747165233 /nfs/dbraw/zinc/16/52/33/747165233.db2.gz BYMKZXOTRWPABT-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089537182 747167413 /nfs/dbraw/zinc/16/74/13/747167413.db2.gz KHPIHYULAOKBOV-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537182 747167417 /nfs/dbraw/zinc/16/74/17/747167417.db2.gz KHPIHYULAOKBOV-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537182 747167422 /nfs/dbraw/zinc/16/74/22/747167422.db2.gz KHPIHYULAOKBOV-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)C[NH+](CC)CC)c1ccccc1OC ZINC001198940766 747655125 /nfs/dbraw/zinc/65/51/25/747655125.db2.gz SJWCHDSJCSLISJ-MRXNPFEDSA-N 2 1 317.433 1.417 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1OC ZINC001198968546 747664730 /nfs/dbraw/zinc/66/47/30/747664730.db2.gz NOKSBDLYEBVHJG-INIZCTEOSA-N 2 1 319.449 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145307 748553992 /nfs/dbraw/zinc/55/39/92/748553992.db2.gz HEHCGFZZGZPRRB-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145307 748553994 /nfs/dbraw/zinc/55/39/94/748553994.db2.gz HEHCGFZZGZPRRB-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033145307 748553998 /nfs/dbraw/zinc/55/39/98/748553998.db2.gz HEHCGFZZGZPRRB-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCC[NH+]1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001032077980 748585592 /nfs/dbraw/zinc/58/55/92/748585592.db2.gz FVIZYTURZHGZNB-UHFFFAOYSA-N 2 1 311.389 1.505 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100123723 761953203 /nfs/dbraw/zinc/95/32/03/761953203.db2.gz AYUQXZLDWNNUEJ-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996300214 749497163 /nfs/dbraw/zinc/49/71/63/749497163.db2.gz KJGODJNUYZFAFB-KDOFPFPSSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033682286 749709618 /nfs/dbraw/zinc/70/96/18/749709618.db2.gz BFKSXEHKGCQEFT-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001039392682 761992385 /nfs/dbraw/zinc/99/23/85/761992385.db2.gz ZZLSQEUZLVNODR-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546911 750117193 /nfs/dbraw/zinc/11/71/93/750117193.db2.gz SXIPMDRSXWPLIW-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546911 750117196 /nfs/dbraw/zinc/11/71/96/750117196.db2.gz SXIPMDRSXWPLIW-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546911 750117199 /nfs/dbraw/zinc/11/71/99/750117199.db2.gz SXIPMDRSXWPLIW-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033932261 750143325 /nfs/dbraw/zinc/14/33/25/750143325.db2.gz JZQGACSLEZZNRN-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932261 750143328 /nfs/dbraw/zinc/14/33/28/750143328.db2.gz JZQGACSLEZZNRN-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932261 750143331 /nfs/dbraw/zinc/14/33/31/750143331.db2.gz JZQGACSLEZZNRN-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932261 750143335 /nfs/dbraw/zinc/14/33/35/750143335.db2.gz JZQGACSLEZZNRN-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932261 750143339 /nfs/dbraw/zinc/14/33/39/750143339.db2.gz JZQGACSLEZZNRN-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424915 762022346 /nfs/dbraw/zinc/02/23/46/762022346.db2.gz MADRZADUSYPFCW-NXOAAHMSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424915 762022353 /nfs/dbraw/zinc/02/23/53/762022353.db2.gz MADRZADUSYPFCW-NXOAAHMSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424915 762022364 /nfs/dbraw/zinc/02/23/64/762022364.db2.gz MADRZADUSYPFCW-NXOAAHMSSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538151 750539727 /nfs/dbraw/zinc/53/97/27/750539727.db2.gz JMIJZPICDPCQBX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538151 750539731 /nfs/dbraw/zinc/53/97/31/750539731.db2.gz JMIJZPICDPCQBX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538151 750539735 /nfs/dbraw/zinc/53/97/35/750539735.db2.gz JMIJZPICDPCQBX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001005586141 750669639 /nfs/dbraw/zinc/66/96/39/750669639.db2.gz VJZRHGVPRPCKMV-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997271853 750725852 /nfs/dbraw/zinc/72/58/52/750725852.db2.gz OGEUTIOEFXOGAG-WBVHZDCISA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997271853 750725857 /nfs/dbraw/zinc/72/58/57/750725857.db2.gz OGEUTIOEFXOGAG-WBVHZDCISA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114827036 751155037 /nfs/dbraw/zinc/15/50/37/751155037.db2.gz VJILVZNWKKHNEC-BARDWOONSA-N 2 1 313.873 1.906 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114827036 751155039 /nfs/dbraw/zinc/15/50/39/751155039.db2.gz VJILVZNWKKHNEC-BARDWOONSA-N 2 1 313.873 1.906 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095902638 751213948 /nfs/dbraw/zinc/21/39/48/751213948.db2.gz KCABNSFOBVSWOZ-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095902638 751213951 /nfs/dbraw/zinc/21/39/51/751213951.db2.gz KCABNSFOBVSWOZ-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095902638 751213954 /nfs/dbraw/zinc/21/39/54/751213954.db2.gz KCABNSFOBVSWOZ-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095902638 751213956 /nfs/dbraw/zinc/21/39/56/751213956.db2.gz KCABNSFOBVSWOZ-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035240332 751322537 /nfs/dbraw/zinc/32/25/37/751322537.db2.gz QXBJPNOBWFBQOT-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035240332 751322539 /nfs/dbraw/zinc/32/25/39/751322539.db2.gz QXBJPNOBWFBQOT-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001007895613 752422245 /nfs/dbraw/zinc/42/22/45/752422245.db2.gz LLFJZVBSRIMDDI-OAHLLOKOSA-N 2 1 323.400 1.485 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000768086 762176920 /nfs/dbraw/zinc/17/69/20/762176920.db2.gz VANSKQWMNQQVGY-KRWDZBQOSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768086 762176924 /nfs/dbraw/zinc/17/69/24/762176924.db2.gz VANSKQWMNQQVGY-KRWDZBQOSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768086 762176929 /nfs/dbraw/zinc/17/69/29/762176929.db2.gz VANSKQWMNQQVGY-KRWDZBQOSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189756 754842143 /nfs/dbraw/zinc/84/21/43/754842143.db2.gz JXPWEDYJWAIACQ-WBVHZDCISA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189756 754842145 /nfs/dbraw/zinc/84/21/45/754842145.db2.gz JXPWEDYJWAIACQ-WBVHZDCISA-N 2 1 311.470 1.356 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318024 755848756 /nfs/dbraw/zinc/84/87/56/755848756.db2.gz FZGWRNCQKYHMBH-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318024 755848764 /nfs/dbraw/zinc/84/87/64/755848764.db2.gz FZGWRNCQKYHMBH-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318024 755848771 /nfs/dbraw/zinc/84/87/71/755848771.db2.gz FZGWRNCQKYHMBH-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318024 755848778 /nfs/dbraw/zinc/84/87/78/755848778.db2.gz FZGWRNCQKYHMBH-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001080999026 756171330 /nfs/dbraw/zinc/17/13/30/756171330.db2.gz YUISCNBHPCHCAG-RHSMWYFYSA-N 2 1 301.434 1.984 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015232477 756180689 /nfs/dbraw/zinc/18/06/89/756180689.db2.gz GVTRWHZXMDCYND-AWEZNQCLSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001081668970 756420749 /nfs/dbraw/zinc/42/07/49/756420749.db2.gz ZFSYOINIJGIPDD-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001081668970 756420752 /nfs/dbraw/zinc/42/07/52/756420752.db2.gz ZFSYOINIJGIPDD-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001015713648 756489041 /nfs/dbraw/zinc/48/90/41/756489041.db2.gz QGTDERDBYAMAND-CQSZACIVSA-N 2 1 316.405 1.098 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015713648 756489044 /nfs/dbraw/zinc/48/90/44/756489044.db2.gz QGTDERDBYAMAND-CQSZACIVSA-N 2 1 316.405 1.098 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](OC)C1 ZINC001082290129 756725242 /nfs/dbraw/zinc/72/52/42/756725242.db2.gz KLQLELWZPGVZIS-IAGOWNOFSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001082708806 756899886 /nfs/dbraw/zinc/89/98/86/756899886.db2.gz OPOKGLGJBWQPNX-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001083104664 757138948 /nfs/dbraw/zinc/13/89/48/757138948.db2.gz MRYYRGKLJYALGE-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001083104664 757138953 /nfs/dbraw/zinc/13/89/53/757138953.db2.gz MRYYRGKLJYALGE-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001083104664 757138957 /nfs/dbraw/zinc/13/89/57/757138957.db2.gz MRYYRGKLJYALGE-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001083104664 757138967 /nfs/dbraw/zinc/13/89/67/757138967.db2.gz MRYYRGKLJYALGE-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040397377 762524169 /nfs/dbraw/zinc/52/41/69/762524169.db2.gz ZCPPJZAIGWOBHK-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040397377 762524175 /nfs/dbraw/zinc/52/41/75/762524175.db2.gz ZCPPJZAIGWOBHK-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040397377 762524180 /nfs/dbraw/zinc/52/41/80/762524180.db2.gz ZCPPJZAIGWOBHK-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016969820 757518507 /nfs/dbraw/zinc/51/85/07/757518507.db2.gz PJCZXQSAFLJFQN-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985131 757531678 /nfs/dbraw/zinc/53/16/78/757531678.db2.gz HNBWDWQHOBURRF-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985131 757531685 /nfs/dbraw/zinc/53/16/85/757531685.db2.gz HNBWDWQHOBURRF-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084389042 757548883 /nfs/dbraw/zinc/54/88/83/757548883.db2.gz PUKZCHUTBQCIQM-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389042 757548887 /nfs/dbraw/zinc/54/88/87/757548887.db2.gz PUKZCHUTBQCIQM-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389042 757548891 /nfs/dbraw/zinc/54/88/91/757548891.db2.gz PUKZCHUTBQCIQM-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084523536 757637345 /nfs/dbraw/zinc/63/73/45/757637345.db2.gz LOFKLFCGGPLHKU-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001084523536 757637355 /nfs/dbraw/zinc/63/73/55/757637355.db2.gz LOFKLFCGGPLHKU-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017147682 757671888 /nfs/dbraw/zinc/67/18/88/757671888.db2.gz DGPSPZNRWMLVGX-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001017147682 757671892 /nfs/dbraw/zinc/67/18/92/757671892.db2.gz DGPSPZNRWMLVGX-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017147682 757671894 /nfs/dbraw/zinc/67/18/94/757671894.db2.gz DGPSPZNRWMLVGX-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CC2)C1 ZINC001017147682 757671897 /nfs/dbraw/zinc/67/18/97/757671897.db2.gz DGPSPZNRWMLVGX-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC2CC2)C1 ZINC001017147682 757671901 /nfs/dbraw/zinc/67/19/01/757671901.db2.gz DGPSPZNRWMLVGX-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040532994 762582242 /nfs/dbraw/zinc/58/22/42/762582242.db2.gz ZYMIVJIYHHOVNO-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040532994 762582249 /nfs/dbraw/zinc/58/22/49/762582249.db2.gz ZYMIVJIYHHOVNO-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957732 758099436 /nfs/dbraw/zinc/09/94/36/758099436.db2.gz TYUXVOATYVLGSX-KURKYZTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957732 758099440 /nfs/dbraw/zinc/09/94/40/758099440.db2.gz TYUXVOATYVLGSX-KURKYZTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957732 758099454 /nfs/dbraw/zinc/09/94/54/758099454.db2.gz TYUXVOATYVLGSX-KURKYZTESA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659152 758128071 /nfs/dbraw/zinc/12/80/71/758128071.db2.gz PIHRWVJSZIPOPB-WCXIOVBPSA-N 2 1 303.450 1.865 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001053287044 758342404 /nfs/dbraw/zinc/34/24/04/758342404.db2.gz JZIXRPBYXUXAGK-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001085276067 759221904 /nfs/dbraw/zinc/22/19/04/759221904.db2.gz NKUMKPKYXMXGTL-HUUCEWRRSA-N 2 1 314.433 1.412 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054177259 759259421 /nfs/dbraw/zinc/25/94/21/759259421.db2.gz IEHOYCYQERLKRF-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001085350354 759285678 /nfs/dbraw/zinc/28/56/78/759285678.db2.gz CRPVEXQLTGEMBC-HUUCEWRRSA-N 2 1 302.422 1.657 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001108215812 760415124 /nfs/dbraw/zinc/41/51/24/760415124.db2.gz JLKHEPZCYOJVTM-SFHVURJKSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001108215812 760415127 /nfs/dbraw/zinc/41/51/27/760415127.db2.gz JLKHEPZCYOJVTM-SFHVURJKSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215812 760415129 /nfs/dbraw/zinc/41/51/29/760415129.db2.gz JLKHEPZCYOJVTM-SFHVURJKSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001108215812 760415132 /nfs/dbraw/zinc/41/51/32/760415132.db2.gz JLKHEPZCYOJVTM-SFHVURJKSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)CN1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108216407 760419497 /nfs/dbraw/zinc/41/94/97/760419497.db2.gz YZRVPUZCXJGGHB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001108216407 760419501 /nfs/dbraw/zinc/41/95/01/760419501.db2.gz YZRVPUZCXJGGHB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108216407 760419506 /nfs/dbraw/zinc/41/95/06/760419506.db2.gz YZRVPUZCXJGGHB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108216407 760419516 /nfs/dbraw/zinc/41/95/16/760419516.db2.gz YZRVPUZCXJGGHB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC)CC1 ZINC001085986460 760657578 /nfs/dbraw/zinc/65/75/78/760657578.db2.gz FFJOWIVBNRDSRK-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC(C)C)C2)CC1 ZINC001046852631 767985411 /nfs/dbraw/zinc/98/54/11/767985411.db2.gz NZZWPIGNPYJWGB-LJQANCHMSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086085410 760939501 /nfs/dbraw/zinc/93/95/01/760939501.db2.gz DEABNVMHHJIPQW-NCOADZHNSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086387097 761526470 /nfs/dbraw/zinc/52/64/70/761526470.db2.gz RMOAKIPIPIEELW-ZOBUZTSGSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241895 761879061 /nfs/dbraw/zinc/87/90/61/761879061.db2.gz KBKBSNVXBBQDTI-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243021 761881431 /nfs/dbraw/zinc/88/14/31/761881431.db2.gz RSQARPJSOCIEBC-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288274 762936886 /nfs/dbraw/zinc/93/68/86/762936886.db2.gz VHWJJCPWTGRLTI-MJGOQNOKSA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047291 763059500 /nfs/dbraw/zinc/05/95/00/763059500.db2.gz VXRIYYWBEISKFJ-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050047291 763059505 /nfs/dbraw/zinc/05/95/05/763059505.db2.gz VXRIYYWBEISKFJ-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001050047291 763059510 /nfs/dbraw/zinc/05/95/10/763059510.db2.gz VXRIYYWBEISKFJ-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095411 763127805 /nfs/dbraw/zinc/12/78/05/763127805.db2.gz OAOUWDTXQWGEFU-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095411 763127809 /nfs/dbraw/zinc/12/78/09/763127809.db2.gz OAOUWDTXQWGEFU-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587191 763160461 /nfs/dbraw/zinc/16/04/61/763160461.db2.gz OYMVVHABJQEOGT-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587191 763160468 /nfs/dbraw/zinc/16/04/68/763160468.db2.gz OYMVVHABJQEOGT-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587191 763160471 /nfs/dbraw/zinc/16/04/71/763160471.db2.gz OYMVVHABJQEOGT-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109560493 763815360 /nfs/dbraw/zinc/81/53/60/763815360.db2.gz CNURFDSPJSWRCC-PMPSAXMXSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992761 768175834 /nfs/dbraw/zinc/17/58/34/768175834.db2.gz BYJJLWNKQXSGIH-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992761 768175839 /nfs/dbraw/zinc/17/58/39/768175839.db2.gz BYJJLWNKQXSGIH-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046992761 768175843 /nfs/dbraw/zinc/17/58/43/768175843.db2.gz BYJJLWNKQXSGIH-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046992761 768175848 /nfs/dbraw/zinc/17/58/48/768175848.db2.gz BYJJLWNKQXSGIH-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368123 763971479 /nfs/dbraw/zinc/97/14/79/763971479.db2.gz OBRBRHQVAKDYOY-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001109825063 764095593 /nfs/dbraw/zinc/09/55/93/764095593.db2.gz UTSODWONVRRDNL-UKMLZYKCSA-N 2 1 302.422 1.886 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1cnc[nH]1)C2 ZINC001109825063 764095603 /nfs/dbraw/zinc/09/56/03/764095603.db2.gz UTSODWONVRRDNL-UKMLZYKCSA-N 2 1 302.422 1.886 20 30 DDEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307119 764728197 /nfs/dbraw/zinc/72/81/97/764728197.db2.gz LRMGCTPRIGIUCW-KRWDZBQOSA-N 2 1 313.445 1.799 20 30 DDEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307119 764728204 /nfs/dbraw/zinc/72/82/04/764728204.db2.gz LRMGCTPRIGIUCW-KRWDZBQOSA-N 2 1 313.445 1.799 20 30 DDEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307119 764728207 /nfs/dbraw/zinc/72/82/07/764728207.db2.gz LRMGCTPRIGIUCW-KRWDZBQOSA-N 2 1 313.445 1.799 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855399 764881628 /nfs/dbraw/zinc/88/16/28/764881628.db2.gz UXAYMVBCPNFADL-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001112855399 764881634 /nfs/dbraw/zinc/88/16/34/764881634.db2.gz UXAYMVBCPNFADL-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001044031451 765245520 /nfs/dbraw/zinc/24/55/20/765245520.db2.gz ZUAAXBRSAULFJX-UHFFFAOYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131696795 768278115 /nfs/dbraw/zinc/27/81/15/768278115.db2.gz AMTLFTJKUAIIKN-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696795 768278118 /nfs/dbraw/zinc/27/81/18/768278118.db2.gz AMTLFTJKUAIIKN-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696795 768278122 /nfs/dbraw/zinc/27/81/22/768278122.db2.gz AMTLFTJKUAIIKN-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052513307 765906770 /nfs/dbraw/zinc/90/67/70/765906770.db2.gz AGZWLCCNETXNQW-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052513307 765906772 /nfs/dbraw/zinc/90/67/72/765906772.db2.gz AGZWLCCNETXNQW-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CCCCCF)CC2)CC1 ZINC001113677667 766005125 /nfs/dbraw/zinc/00/51/25/766005125.db2.gz HUGBWABLZYBKDD-UHFFFAOYSA-N 2 1 323.456 1.616 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001170211081 766169945 /nfs/dbraw/zinc/16/99/45/766169945.db2.gz IOBJCEGLSSVXSW-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001045443985 766310481 /nfs/dbraw/zinc/31/04/81/766310481.db2.gz AVJQPYSDCMYODN-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045475491 766332618 /nfs/dbraw/zinc/33/26/18/766332618.db2.gz IZBKMXPSEFVWDS-IRXDYDNUSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccc(C)cc1 ZINC001129770371 766998153 /nfs/dbraw/zinc/99/81/53/766998153.db2.gz FCSDJXTTZMRNIX-SFHVURJKSA-N 2 1 313.445 1.341 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccc(C)cc1 ZINC001129770371 766998156 /nfs/dbraw/zinc/99/81/56/766998156.db2.gz FCSDJXTTZMRNIX-SFHVURJKSA-N 2 1 313.445 1.341 20 30 DDEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[N@H+](C)CC)C1 ZINC001130438036 767533451 /nfs/dbraw/zinc/53/34/51/767533451.db2.gz IZWWAEINABTXCP-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130438036 767533457 /nfs/dbraw/zinc/53/34/57/767533457.db2.gz IZWWAEINABTXCP-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)CC)C1 ZINC001130438036 767533463 /nfs/dbraw/zinc/53/34/63/767533463.db2.gz IZWWAEINABTXCP-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567501 767695808 /nfs/dbraw/zinc/69/58/08/767695808.db2.gz KEOKAFVTCJJVEU-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567501 767695812 /nfs/dbraw/zinc/69/58/12/767695812.db2.gz KEOKAFVTCJJVEU-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567501 767695816 /nfs/dbraw/zinc/69/58/16/767695816.db2.gz KEOKAFVTCJJVEU-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567501 767695819 /nfs/dbraw/zinc/69/58/19/767695819.db2.gz KEOKAFVTCJJVEU-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210888 768677676 /nfs/dbraw/zinc/67/76/76/768677676.db2.gz KRDRWJCWZYYTLZ-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517789 768931140 /nfs/dbraw/zinc/93/11/40/768931140.db2.gz GQSXQHGDWJQRHN-JKSUJKDBSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071203494 769132279 /nfs/dbraw/zinc/13/22/79/769132279.db2.gz BRAGYUJLSIZVJD-CRAIPNDOSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165384 769555086 /nfs/dbraw/zinc/55/50/86/769555086.db2.gz GCJMXXMELMYPIV-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071682520 769869382 /nfs/dbraw/zinc/86/93/82/769869382.db2.gz NCOMVFIJFZRYCB-GOEBONIOSA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819099 769940110 /nfs/dbraw/zinc/94/01/10/769940110.db2.gz QLEHQDDERZBHNI-FJIDUMEYSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048819099 769940113 /nfs/dbraw/zinc/94/01/13/769940113.db2.gz QLEHQDDERZBHNI-FJIDUMEYSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048819099 769940117 /nfs/dbraw/zinc/94/01/17/769940117.db2.gz QLEHQDDERZBHNI-FJIDUMEYSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048862943 770007663 /nfs/dbraw/zinc/00/76/63/770007663.db2.gz BQKBMWLHRSMUEA-ZNMIVQPWSA-N 2 1 300.406 1.337 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048862943 770007673 /nfs/dbraw/zinc/00/76/73/770007673.db2.gz BQKBMWLHRSMUEA-ZNMIVQPWSA-N 2 1 300.406 1.337 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049007977 770242910 /nfs/dbraw/zinc/24/29/10/770242910.db2.gz GSFPLMYDVIDGMA-LUKYLMHMSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049007977 770242912 /nfs/dbraw/zinc/24/29/12/770242912.db2.gz GSFPLMYDVIDGMA-LUKYLMHMSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049007977 770242916 /nfs/dbraw/zinc/24/29/16/770242916.db2.gz GSFPLMYDVIDGMA-LUKYLMHMSA-N 2 1 303.450 1.130 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001133867208 770387433 /nfs/dbraw/zinc/38/74/33/770387433.db2.gz ROVTWGRIXRLBSU-WMLDXEAASA-N 2 1 317.408 1.081 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107431 770389662 /nfs/dbraw/zinc/38/96/62/770389662.db2.gz JNWUJNBKSDTKTO-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107431 770389673 /nfs/dbraw/zinc/38/96/73/770389673.db2.gz JNWUJNBKSDTKTO-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107431 770389680 /nfs/dbraw/zinc/38/96/80/770389680.db2.gz JNWUJNBKSDTKTO-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890660 770416950 /nfs/dbraw/zinc/41/69/50/770416950.db2.gz XASWLBWCMRHVIK-CQSZACIVSA-N 2 1 320.437 1.945 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C1 ZINC001049174047 770499606 /nfs/dbraw/zinc/49/96/06/770499606.db2.gz LDCPJLUBSVKSBL-GASCZTMLSA-N 2 1 302.422 1.319 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001096586074 771237670 /nfs/dbraw/zinc/23/76/70/771237670.db2.gz JULIDFDRLKQANG-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001096586074 771237676 /nfs/dbraw/zinc/23/76/76/771237676.db2.gz JULIDFDRLKQANG-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096586074 771237680 /nfs/dbraw/zinc/23/76/80/771237680.db2.gz JULIDFDRLKQANG-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096586074 771237682 /nfs/dbraw/zinc/23/76/82/771237682.db2.gz JULIDFDRLKQANG-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC)CC1 ZINC001049920305 771262088 /nfs/dbraw/zinc/26/20/88/771262088.db2.gz RXPMTDRNSFHZLR-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028044 771285483 /nfs/dbraw/zinc/28/54/83/771285483.db2.gz BMZCZGHUAVFSKU-KGLIPLIRSA-N 2 1 308.426 1.267 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160290807 772143929 /nfs/dbraw/zinc/14/39/29/772143929.db2.gz AAXNGXGHYVMFQA-MRXNPFEDSA-N 2 1 311.445 1.991 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c([nH+]1)NCCO2 ZINC001171072617 772229642 /nfs/dbraw/zinc/22/96/42/772229642.db2.gz PQCASJVFFXERRA-LBPRGKRZSA-N 2 1 320.393 1.525 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOCC ZINC001171307220 773150257 /nfs/dbraw/zinc/15/02/57/773150257.db2.gz HIFFDOVSUAJCNO-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCOCC ZINC001171307220 773150259 /nfs/dbraw/zinc/15/02/59/773150259.db2.gz HIFFDOVSUAJCNO-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001147731596 773203467 /nfs/dbraw/zinc/20/34/67/773203467.db2.gz MMYUTYOQJWURID-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147731596 773203472 /nfs/dbraw/zinc/20/34/72/773203472.db2.gz MMYUTYOQJWURID-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001147731596 773203475 /nfs/dbraw/zinc/20/34/75/773203475.db2.gz MMYUTYOQJWURID-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001147877458 773282429 /nfs/dbraw/zinc/28/24/29/773282429.db2.gz KPGVWKFNBVPMGU-AWEZNQCLSA-N 2 1 318.396 1.245 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801756 773423586 /nfs/dbraw/zinc/42/35/86/773423586.db2.gz UBWKBWRNKKHLOC-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801756 773423591 /nfs/dbraw/zinc/42/35/91/773423591.db2.gz UBWKBWRNKKHLOC-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801756 773423595 /nfs/dbraw/zinc/42/35/95/773423595.db2.gz UBWKBWRNKKHLOC-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801756 773423600 /nfs/dbraw/zinc/42/36/00/773423600.db2.gz UBWKBWRNKKHLOC-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861670 773476631 /nfs/dbraw/zinc/47/66/31/773476631.db2.gz GSLVYZAAKGIYQZ-INIZCTEOSA-N 2 1 321.465 1.256 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092303028 774053111 /nfs/dbraw/zinc/05/31/11/774053111.db2.gz NXEOEKHPCFEQHW-AOIWGVFYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092603311 774185302 /nfs/dbraw/zinc/18/53/02/774185302.db2.gz YBRIKRNONOQDPY-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092603311 774185303 /nfs/dbraw/zinc/18/53/03/774185303.db2.gz YBRIKRNONOQDPY-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092603311 774185304 /nfs/dbraw/zinc/18/53/04/774185304.db2.gz YBRIKRNONOQDPY-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611011 774188725 /nfs/dbraw/zinc/18/87/25/774188725.db2.gz DQLGKTUMKFSCKT-DJIMGWMZSA-N 2 1 305.466 1.588 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773792 774568657 /nfs/dbraw/zinc/56/86/57/774568657.db2.gz TWERWXNECAMFGE-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773792 774568659 /nfs/dbraw/zinc/56/86/59/774568659.db2.gz TWERWXNECAMFGE-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036832407 774801623 /nfs/dbraw/zinc/80/16/23/774801623.db2.gz BAJRUFVQWQDBAW-CVEARBPZSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)CC[C@@H]21 ZINC001036832407 774801631 /nfs/dbraw/zinc/80/16/31/774801631.db2.gz BAJRUFVQWQDBAW-CVEARBPZSA-N 2 1 314.433 1.563 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099163040 774873351 /nfs/dbraw/zinc/87/33/51/774873351.db2.gz IWCDXVLKAZELGQ-RDJZCZTQSA-N 2 1 302.422 1.738 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001099163040 774873360 /nfs/dbraw/zinc/87/33/60/774873360.db2.gz IWCDXVLKAZELGQ-RDJZCZTQSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223346 774907284 /nfs/dbraw/zinc/90/72/84/774907284.db2.gz OKGOJLXLKDCAOY-UTUOFQBUSA-N 2 1 305.344 1.246 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099539246 775021291 /nfs/dbraw/zinc/02/12/91/775021291.db2.gz ZSBYQMISHNGXIX-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099554137 775027378 /nfs/dbraw/zinc/02/73/78/775027378.db2.gz XPNNFEUXEVFEFJ-MHORFTMASA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099554137 775027387 /nfs/dbraw/zinc/02/73/87/775027387.db2.gz XPNNFEUXEVFEFJ-MHORFTMASA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099554137 775027393 /nfs/dbraw/zinc/02/73/93/775027393.db2.gz XPNNFEUXEVFEFJ-MHORFTMASA-N 2 1 317.477 1.519 20 30 DDEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001172500077 776804757 /nfs/dbraw/zinc/80/47/57/776804757.db2.gz WJNYTQNLFSCBBI-NCOADZHNSA-N 2 1 316.453 1.755 20 30 DDEDMP C[C@H](CCCC#N)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001172500077 776804767 /nfs/dbraw/zinc/80/47/67/776804767.db2.gz WJNYTQNLFSCBBI-NCOADZHNSA-N 2 1 316.453 1.755 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285029 777031626 /nfs/dbraw/zinc/03/16/26/777031626.db2.gz LQTLQUXFTQWXJB-QAPCUYQASA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285029 777031629 /nfs/dbraw/zinc/03/16/29/777031629.db2.gz LQTLQUXFTQWXJB-QAPCUYQASA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285029 777031636 /nfs/dbraw/zinc/03/16/36/777031636.db2.gz LQTLQUXFTQWXJB-QAPCUYQASA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCCCCC)C[C@]2(C)C1 ZINC001101394927 777114789 /nfs/dbraw/zinc/11/47/89/777114789.db2.gz MQTDIHKDQIDLBB-MJGOQNOKSA-N 2 1 319.493 1.912 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255839 777735965 /nfs/dbraw/zinc/73/59/65/777735965.db2.gz HNXNTGHLQTWSGK-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982820 777761877 /nfs/dbraw/zinc/76/18/77/777761877.db2.gz KXLBQUCUPVSXMG-QBPKDAKJSA-N 2 1 323.481 1.213 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982820 777761883 /nfs/dbraw/zinc/76/18/83/777761883.db2.gz KXLBQUCUPVSXMG-QBPKDAKJSA-N 2 1 323.481 1.213 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101982820 777761889 /nfs/dbraw/zinc/76/18/89/777761889.db2.gz KXLBQUCUPVSXMG-QBPKDAKJSA-N 2 1 323.481 1.213 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479848 778162772 /nfs/dbraw/zinc/16/27/72/778162772.db2.gz LAPPMPSSRTUGFZ-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977385 778519941 /nfs/dbraw/zinc/51/99/41/778519941.db2.gz YRRZVSMYBFHLKP-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977385 778519946 /nfs/dbraw/zinc/51/99/46/778519946.db2.gz YRRZVSMYBFHLKP-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977385 778519948 /nfs/dbraw/zinc/51/99/48/778519948.db2.gz YRRZVSMYBFHLKP-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103447 778640220 /nfs/dbraw/zinc/64/02/20/778640220.db2.gz JJVBKYAGJPZENU-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103447 778640225 /nfs/dbraw/zinc/64/02/25/778640225.db2.gz JJVBKYAGJPZENU-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103447 778640230 /nfs/dbraw/zinc/64/02/30/778640230.db2.gz JJVBKYAGJPZENU-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103484010 778891304 /nfs/dbraw/zinc/89/13/04/778891304.db2.gz ZTKVIYZSFTZKMA-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001103484010 778891315 /nfs/dbraw/zinc/89/13/15/778891315.db2.gz ZTKVIYZSFTZKMA-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178535018 779082742 /nfs/dbraw/zinc/08/27/42/779082742.db2.gz FNZQDPOEJLRBKK-DLBZAZTESA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)CC[NH+]1CCOCC1 ZINC001179831354 779501672 /nfs/dbraw/zinc/50/16/72/779501672.db2.gz BKKILCPAMDMMDE-UHFFFAOYSA-N 2 1 311.470 1.551 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180298734 779712020 /nfs/dbraw/zinc/71/20/20/779712020.db2.gz CZRUKEZEQMMCLK-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180298734 779712026 /nfs/dbraw/zinc/71/20/26/779712026.db2.gz CZRUKEZEQMMCLK-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCCC)C[C@H]32)CC1 ZINC001115290265 780009931 /nfs/dbraw/zinc/00/99/31/780009931.db2.gz QHJNESVXXUMXIO-PIIMJCKOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001115730921 780381108 /nfs/dbraw/zinc/38/11/08/780381108.db2.gz UUGCEPNRNRBVFA-UHFFFAOYSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130053 781776875 /nfs/dbraw/zinc/77/68/75/781776875.db2.gz SYKBYQGUNURPMA-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267179058 837478244 /nfs/dbraw/zinc/47/82/44/837478244.db2.gz JYKDKFROJOCJNT-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267179058 837478253 /nfs/dbraw/zinc/47/82/53/837478253.db2.gz JYKDKFROJOCJNT-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267179058 837478263 /nfs/dbraw/zinc/47/82/63/837478263.db2.gz JYKDKFROJOCJNT-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266358837 836168584 /nfs/dbraw/zinc/16/85/84/836168584.db2.gz HPIBBTUWTSFMJB-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266358837 836168589 /nfs/dbraw/zinc/16/85/89/836168589.db2.gz HPIBBTUWTSFMJB-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266487186 836335502 /nfs/dbraw/zinc/33/55/02/836335502.db2.gz VMWHGVKVCJRYPK-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(Br)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001266803288 836858624 /nfs/dbraw/zinc/85/86/24/836858624.db2.gz ACCSFIHAGIODIX-LLVKDONJSA-N 2 1 304.232 1.037 20 30 DDEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266855450 836943259 /nfs/dbraw/zinc/94/32/59/836943259.db2.gz CGCQSQPRVILKAM-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266855450 836943267 /nfs/dbraw/zinc/94/32/67/836943267.db2.gz CGCQSQPRVILKAM-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001266985635 837151040 /nfs/dbraw/zinc/15/10/40/837151040.db2.gz NTMSOHCMVXWJAB-WMZOPIPTSA-N 2 1 313.445 1.474 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267088637 837319055 /nfs/dbraw/zinc/31/90/55/837319055.db2.gz NDYMDHBUEQXMCR-HZPDHXFCSA-N 2 1 302.422 1.622 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267542035 838273170 /nfs/dbraw/zinc/27/31/70/838273170.db2.gz NITDSSYEFNIJRV-JKSUJKDBSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267542035 838273179 /nfs/dbraw/zinc/27/31/79/838273179.db2.gz NITDSSYEFNIJRV-JKSUJKDBSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CC#CC)C2)CC1 ZINC001267597399 838396567 /nfs/dbraw/zinc/39/65/67/838396567.db2.gz WMALWYGBZXFMJZ-QGZVFWFLSA-N 2 1 315.461 1.135 20 30 DDEDMP C=CC[N@H+](C)CC1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001267752694 838856403 /nfs/dbraw/zinc/85/64/03/838856403.db2.gz PRMFNKGXXQRZLC-UHFFFAOYSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269115322 841225477 /nfs/dbraw/zinc/22/54/77/841225477.db2.gz IEKBXHPCPKUNJU-WBVHZDCISA-N 2 1 316.449 1.814 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269239472 841402492 /nfs/dbraw/zinc/40/24/92/841402492.db2.gz AEFXQWUIWZPQFJ-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001269331935 841528428 /nfs/dbraw/zinc/52/84/28/841528428.db2.gz PMFUIIHDNAQMHY-JKSUJKDBSA-N 2 1 311.445 1.612 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001269331935 841528435 /nfs/dbraw/zinc/52/84/35/841528435.db2.gz PMFUIIHDNAQMHY-JKSUJKDBSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001269460109 841659442 /nfs/dbraw/zinc/65/94/42/841659442.db2.gz DVRPXHOVSOFWGW-HUUCEWRRSA-N 2 1 302.422 1.262 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001269474230 841674298 /nfs/dbraw/zinc/67/42/98/841674298.db2.gz ASMJZCDRRLBXER-AWEZNQCLSA-N 2 1 302.422 1.568 20 30 DDEDMP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001272235432 844815258 /nfs/dbraw/zinc/81/52/58/844815258.db2.gz NCWKWUUTMPZTCJ-KRWDZBQOSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272716924 846706749 /nfs/dbraw/zinc/70/67/49/846706749.db2.gz MRSHXKXODOIYIP-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272716924 846706760 /nfs/dbraw/zinc/70/67/60/846706760.db2.gz MRSHXKXODOIYIP-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326977515 861768293 /nfs/dbraw/zinc/76/82/93/861768293.db2.gz HNLARWQNKYAHQW-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001272829798 847519555 /nfs/dbraw/zinc/51/95/55/847519555.db2.gz LZUZLGLVLVSDSA-WBVHZDCISA-N 2 1 305.466 1.901 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887422 847595031 /nfs/dbraw/zinc/59/50/31/847595031.db2.gz CUBFEJKKYYAVLH-SFHVURJKSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001005518451 848069315 /nfs/dbraw/zinc/06/93/15/848069315.db2.gz KWPHWAOCGNLAAV-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001005518451 848069320 /nfs/dbraw/zinc/06/93/20/848069320.db2.gz KWPHWAOCGNLAAV-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034248458 848155341 /nfs/dbraw/zinc/15/53/41/848155341.db2.gz CRTYPGPITIJTDH-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034248458 848155342 /nfs/dbraw/zinc/15/53/42/848155342.db2.gz CRTYPGPITIJTDH-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001034394940 848457106 /nfs/dbraw/zinc/45/71/06/848457106.db2.gz SGONFTSOKCVTEO-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394940 848457113 /nfs/dbraw/zinc/45/71/13/848457113.db2.gz SGONFTSOKCVTEO-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400919 848467270 /nfs/dbraw/zinc/46/72/70/848467270.db2.gz YQYLQJFTZKHMNW-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400919 848467277 /nfs/dbraw/zinc/46/72/77/848467277.db2.gz YQYLQJFTZKHMNW-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400919 848467282 /nfs/dbraw/zinc/46/72/82/848467282.db2.gz YQYLQJFTZKHMNW-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273145273 848572867 /nfs/dbraw/zinc/57/28/67/848572867.db2.gz WAGIUSWEZJKTTB-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149860414 861949123 /nfs/dbraw/zinc/94/91/23/861949123.db2.gz DDQLAUUITFLNMZ-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001149860414 861949136 /nfs/dbraw/zinc/94/91/36/861949136.db2.gz DDQLAUUITFLNMZ-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860414 861949104 /nfs/dbraw/zinc/94/91/04/861949104.db2.gz DDQLAUUITFLNMZ-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149863281 861952091 /nfs/dbraw/zinc/95/20/91/861952091.db2.gz ZSWLFNRCZBBQLZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863281 861952104 /nfs/dbraw/zinc/95/21/04/861952104.db2.gz ZSWLFNRCZBBQLZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863281 861952114 /nfs/dbraw/zinc/95/21/14/861952114.db2.gz ZSWLFNRCZBBQLZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001273418667 850182816 /nfs/dbraw/zinc/18/28/16/850182816.db2.gz CJBZGKLXJIAJGK-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001150452331 862247484 /nfs/dbraw/zinc/24/74/84/862247484.db2.gz FMALGRWEYOPMTR-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001150452331 862247499 /nfs/dbraw/zinc/24/74/99/862247499.db2.gz FMALGRWEYOPMTR-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150452331 862247515 /nfs/dbraw/zinc/24/75/15/862247515.db2.gz FMALGRWEYOPMTR-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150452331 862247530 /nfs/dbraw/zinc/24/75/30/862247530.db2.gz FMALGRWEYOPMTR-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001327590853 862300118 /nfs/dbraw/zinc/30/01/18/862300118.db2.gz IMXKIJCXVVNTHS-AEFFLSMTSA-N 2 1 323.481 1.238 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001155791608 862455649 /nfs/dbraw/zinc/45/56/49/862455649.db2.gz XVLHNSAOVMICDI-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275779679 853732815 /nfs/dbraw/zinc/73/28/15/853732815.db2.gz GBZIFVYHWHGFAI-JKSUJKDBSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001327996188 862622296 /nfs/dbraw/zinc/62/22/96/862622296.db2.gz SXCHQXAKBASJAG-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732497 857649067 /nfs/dbraw/zinc/64/90/67/857649067.db2.gz MMPMULCZRVYKSZ-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732497 857649071 /nfs/dbraw/zinc/64/90/71/857649071.db2.gz MMPMULCZRVYKSZ-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732497 857649077 /nfs/dbraw/zinc/64/90/77/857649077.db2.gz MMPMULCZRVYKSZ-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC1)C2 ZINC001072822340 857758325 /nfs/dbraw/zinc/75/83/25/857758325.db2.gz BXMPXLQDUSFJSS-INIZCTEOSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CC1)C2 ZINC001072822340 857758337 /nfs/dbraw/zinc/75/83/37/857758337.db2.gz BXMPXLQDUSFJSS-INIZCTEOSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001072822340 857758344 /nfs/dbraw/zinc/75/83/44/857758344.db2.gz BXMPXLQDUSFJSS-INIZCTEOSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001072822340 857758351 /nfs/dbraw/zinc/75/83/51/857758351.db2.gz BXMPXLQDUSFJSS-INIZCTEOSA-N 2 1 301.434 1.028 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898409 857861099 /nfs/dbraw/zinc/86/10/99/857861099.db2.gz YHIUSIFUHQSBCG-UHFFFAOYSA-N 2 1 308.385 1.506 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125949 858121678 /nfs/dbraw/zinc/12/16/78/858121678.db2.gz PNMDKYHWKZCATE-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125534 858121759 /nfs/dbraw/zinc/12/17/59/858121759.db2.gz ABLXQMUGOZZTPU-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454748 858351098 /nfs/dbraw/zinc/35/10/98/858351098.db2.gz QQFOQULHJYITCR-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454748 858351103 /nfs/dbraw/zinc/35/11/03/858351103.db2.gz QQFOQULHJYITCR-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454748 858351109 /nfs/dbraw/zinc/35/11/09/858351109.db2.gz QQFOQULHJYITCR-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121772486 858593340 /nfs/dbraw/zinc/59/33/40/858593340.db2.gz BIULCUSGSJBGFJ-AILYUCJNSA-N 2 1 303.450 1.224 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001122186109 858707768 /nfs/dbraw/zinc/70/77/68/858707768.db2.gz IMYHOYXRPHBGLC-UHFFFAOYSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001122186515 858708232 /nfs/dbraw/zinc/70/82/32/858708232.db2.gz SQCGFRXYAYDLQI-UHFFFAOYSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001328813203 863248339 /nfs/dbraw/zinc/24/83/39/863248339.db2.gz VBHXIHBUKWSRDC-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001328813203 863248350 /nfs/dbraw/zinc/24/83/50/863248350.db2.gz VBHXIHBUKWSRDC-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001330467209 864372673 /nfs/dbraw/zinc/37/26/73/864372673.db2.gz MIPUPICRIUFMNK-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCF)CC1 ZINC001331030242 864788355 /nfs/dbraw/zinc/78/83/55/864788355.db2.gz VNVMWOXOKADIOX-INIZCTEOSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCF)CC1 ZINC001331030242 864788363 /nfs/dbraw/zinc/78/83/63/864788363.db2.gz VNVMWOXOKADIOX-INIZCTEOSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCF)CC1 ZINC001331030242 864788369 /nfs/dbraw/zinc/78/83/69/864788369.db2.gz VNVMWOXOKADIOX-INIZCTEOSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCF)CC1 ZINC001331030242 864788377 /nfs/dbraw/zinc/78/83/77/864788377.db2.gz VNVMWOXOKADIOX-INIZCTEOSA-N 2 1 309.429 1.366 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001331358258 865031776 /nfs/dbraw/zinc/03/17/76/865031776.db2.gz BFNXWOUZOVSAKP-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c(n1)CC[NH2+]C2 ZINC001159921243 865595091 /nfs/dbraw/zinc/59/50/91/865595091.db2.gz LIFMOXWSPVESPV-AWEZNQCLSA-N 2 1 318.421 1.366 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001332400579 865813871 /nfs/dbraw/zinc/81/38/71/865813871.db2.gz XTZVNDLTMGTKPR-HNNXBMFYSA-N 2 1 320.437 1.221 20 30 DDEDMP N#Cc1cc2c(nc1N[C@@]1(C[NH3+])C[NH+]3CCC1CC3)CCCC2 ZINC001160520278 865907152 /nfs/dbraw/zinc/90/71/52/865907152.db2.gz QACRJFCXDBBKIX-SFHVURJKSA-N 2 1 311.433 1.667 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001319710158 866239719 /nfs/dbraw/zinc/23/97/19/866239719.db2.gz SAITZWANQFNQQD-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N(c1ncnc2ccccc21)C1CC[NH2+]CC1 ZINC001161090316 866366931 /nfs/dbraw/zinc/36/69/31/866366931.db2.gz LESRCSXKOKKBGW-SFHVURJKSA-N 2 1 323.400 1.065 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001319942307 866394252 /nfs/dbraw/zinc/39/42/52/866394252.db2.gz CCTLYMVDEGLUGO-NVXWUHKLSA-N 2 1 316.449 1.508 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161208016 866442060 /nfs/dbraw/zinc/44/20/60/866442060.db2.gz YHQSKYRFMDZROA-NVXWUHKLSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161208016 866442062 /nfs/dbraw/zinc/44/20/62/866442062.db2.gz YHQSKYRFMDZROA-NVXWUHKLSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161208016 866442064 /nfs/dbraw/zinc/44/20/64/866442064.db2.gz YHQSKYRFMDZROA-NVXWUHKLSA-N 2 1 303.450 1.346 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001320144655 866507519 /nfs/dbraw/zinc/50/75/19/866507519.db2.gz DUGOJIIALBGUFH-DZGCQCFKSA-N 2 1 320.437 1.800 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324727061 867481174 /nfs/dbraw/zinc/48/11/74/867481174.db2.gz DYKNCJYLEFXVJK-AEFFLSMTSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001165765046 869705457 /nfs/dbraw/zinc/70/54/57/869705457.db2.gz XDULRRBCMZUNLU-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001338493334 870012083 /nfs/dbraw/zinc/01/20/83/870012083.db2.gz ZNFFWKVKDKZLPH-QGZVFWFLSA-N 2 1 317.389 1.706 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001166708289 870180027 /nfs/dbraw/zinc/18/00/27/870180027.db2.gz OCLVVYRUAMTKNG-WMLDXEAASA-N 2 1 314.433 1.352 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001166708098 870181298 /nfs/dbraw/zinc/18/12/98/870181298.db2.gz MAWKZSMIJAWNMI-WMLDXEAASA-N 2 1 314.433 1.352 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001317212093 870480637 /nfs/dbraw/zinc/48/06/37/870480637.db2.gz PMJXMBUHZVEDIK-FIDHJVLJSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317212093 870480638 /nfs/dbraw/zinc/48/06/38/870480638.db2.gz PMJXMBUHZVEDIK-FIDHJVLJSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001317212093 870480640 /nfs/dbraw/zinc/48/06/40/870480640.db2.gz PMJXMBUHZVEDIK-FIDHJVLJSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203507770 870604874 /nfs/dbraw/zinc/60/48/74/870604874.db2.gz UYKZXHRHOJLTOZ-HZPDHXFCSA-N 2 1 321.465 1.302 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317310692 870619883 /nfs/dbraw/zinc/61/98/83/870619883.db2.gz WZZCZQPAGWYBJK-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001317728603 871445996 /nfs/dbraw/zinc/44/59/96/871445996.db2.gz OCYQCVJPPIFQTB-QGZVFWFLSA-N 2 1 301.434 1.797 20 30 DDEDMP C#CCC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001318744011 872241700 /nfs/dbraw/zinc/24/17/00/872241700.db2.gz IZCXELZSFIWIKL-CRAIPNDOSA-N 2 1 316.449 1.870 20 30 DDEDMP C=C(C)C[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001318932144 872352623 /nfs/dbraw/zinc/35/26/23/872352623.db2.gz YDCXFJMNFYCSGG-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C[C@H]1O ZINC001206469055 872357424 /nfs/dbraw/zinc/35/74/24/872357424.db2.gz NMGBXFHOZSXYGU-VQTJNVASSA-N 2 1 306.409 1.838 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001318979927 872379557 /nfs/dbraw/zinc/37/95/57/872379557.db2.gz XOQKLDUAIIDWOQ-BRWVUGGUSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001319317402 872562742 /nfs/dbraw/zinc/56/27/42/872562742.db2.gz IMHDATNHCVMTEQ-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001319534533 872678347 /nfs/dbraw/zinc/67/83/47/872678347.db2.gz PXIIRNSAAJRBLN-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001226890926 882705429 /nfs/dbraw/zinc/70/54/29/882705429.db2.gz PWJIHAKESYLOCY-BRWVUGGUSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208114344 873852191 /nfs/dbraw/zinc/85/21/91/873852191.db2.gz PRYYHIMFJAMFSR-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001276656196 874996148 /nfs/dbraw/zinc/99/61/48/874996148.db2.gz LOCJAFWVVBVCJM-RDJZCZTQSA-N 2 1 314.433 1.262 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215727620 876792216 /nfs/dbraw/zinc/79/22/16/876792216.db2.gz BAOJBUQOCYGTAS-HUUCEWRRSA-N 2 1 302.422 1.466 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363413 877462282 /nfs/dbraw/zinc/46/22/82/877462282.db2.gz RDDVZPOYIVKZSE-JKSUJKDBSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CC3([NH+](C)C)CCCC3)[C@H]2C1 ZINC001218363413 877462288 /nfs/dbraw/zinc/46/22/88/877462288.db2.gz RDDVZPOYIVKZSE-JKSUJKDBSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004249 877868201 /nfs/dbraw/zinc/86/82/01/877868201.db2.gz CEABLJRINWQWGN-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004249 877868214 /nfs/dbraw/zinc/86/82/14/877868214.db2.gz CEABLJRINWQWGN-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CCC)[C@H]2C1 ZINC001219004249 877868230 /nfs/dbraw/zinc/86/82/30/877868230.db2.gz CEABLJRINWQWGN-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357554 878146547 /nfs/dbraw/zinc/14/65/47/878146547.db2.gz BCKLAKZOGXGQGO-OAGGEKHMSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357554 878146548 /nfs/dbraw/zinc/14/65/48/878146548.db2.gz BCKLAKZOGXGQGO-OAGGEKHMSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357554 878146551 /nfs/dbraw/zinc/14/65/51/878146551.db2.gz BCKLAKZOGXGQGO-OAGGEKHMSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357554 878146555 /nfs/dbraw/zinc/14/65/55/878146555.db2.gz BCKLAKZOGXGQGO-OAGGEKHMSA-N 2 1 311.470 1.212 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001374284274 912433371 /nfs/dbraw/zinc/43/33/71/912433371.db2.gz UGOJPXIYYGLSRD-OCCSQVGLSA-N 2 1 324.856 1.943 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096763 879494210 /nfs/dbraw/zinc/49/42/10/879494210.db2.gz ZQHKOJGJVDGBAR-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221096763 879494218 /nfs/dbraw/zinc/49/42/18/879494218.db2.gz ZQHKOJGJVDGBAR-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560920 879941963 /nfs/dbraw/zinc/94/19/63/879941963.db2.gz PDNCJQVEAQFPKH-QBPKDAKJSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560920 879941971 /nfs/dbraw/zinc/94/19/71/879941971.db2.gz PDNCJQVEAQFPKH-QBPKDAKJSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001221560920 879941984 /nfs/dbraw/zinc/94/19/84/879941984.db2.gz PDNCJQVEAQFPKH-QBPKDAKJSA-N 2 1 321.465 1.062 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588107 879960677 /nfs/dbraw/zinc/96/06/77/879960677.db2.gz UHPOPSZWFKRRKQ-BZUAXINKSA-N 2 1 309.429 1.222 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@H]3C[C@]32C(=O)N2CC(CC#N)C2)CC1 ZINC001277797043 887178112 /nfs/dbraw/zinc/17/81/12/887178112.db2.gz OHRWRFHDRCDOOV-FUHWJXTLSA-N 2 1 316.449 1.165 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234346618 887890351 /nfs/dbraw/zinc/89/03/51/887890351.db2.gz ZMMGLLTZHLNOEM-SJORKVTESA-N 2 1 321.465 1.064 20 30 DDEDMP N#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001277937049 888548186 /nfs/dbraw/zinc/54/81/86/888548186.db2.gz YJQXJIHQWWEWSI-MRXNPFEDSA-N 2 1 316.449 1.309 20 30 DDEDMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CCC[NH+](C)C)cc1C#N ZINC001278048715 889491363 /nfs/dbraw/zinc/49/13/63/889491363.db2.gz AOIJWIQZMBBLED-ROUUACIJSA-N 2 1 315.465 1.497 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562314 892701056 /nfs/dbraw/zinc/70/10/56/892701056.db2.gz YGLOWEXTRSOWJM-QLOLRVAOSA-N 2 1 317.408 1.924 20 30 DDEDMP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001278550282 894192378 /nfs/dbraw/zinc/19/23/78/894192378.db2.gz OJBYQKWJXGFLJC-AEFFLSMTSA-N 2 1 323.481 1.359 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367373713 896589931 /nfs/dbraw/zinc/58/99/31/896589931.db2.gz IETCBXFPLCNZJP-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001278821117 896645614 /nfs/dbraw/zinc/64/56/14/896645614.db2.gz IKMHYTQOGLOERC-RHSMWYFYSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001278821117 896645622 /nfs/dbraw/zinc/64/56/22/896645622.db2.gz IKMHYTQOGLOERC-RHSMWYFYSA-N 2 1 320.437 1.099 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001278963054 897573611 /nfs/dbraw/zinc/57/36/11/897573611.db2.gz WGLXVOVRNWMGAP-ARFHVFGLSA-N 2 1 307.482 1.861 20 30 DDEDMP C=C(C[NH+]1CCCC1)c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001258091280 898050815 /nfs/dbraw/zinc/05/08/15/898050815.db2.gz LBVGUMIYWHHTDG-HUUCEWRRSA-N 2 1 320.437 1.830 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H](C)CCC(=O)OC)CC1 ZINC001258380102 898174898 /nfs/dbraw/zinc/17/48/98/898174898.db2.gz VTQMPASRVICREE-KRWDZBQOSA-N 2 1 323.481 1.620 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001390602015 899753150 /nfs/dbraw/zinc/75/31/50/899753150.db2.gz DGPGFKYSHFGCNK-HOCLYGCPSA-N 2 1 311.857 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1C ZINC001264148956 900979191 /nfs/dbraw/zinc/97/91/91/900979191.db2.gz RWPVPSXJAFTLLL-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001264526802 901170371 /nfs/dbraw/zinc/17/03/71/901170371.db2.gz JJGWNWIEQNUHMN-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001265741941 902357211 /nfs/dbraw/zinc/35/72/11/902357211.db2.gz MMLWPBNEVCOJJC-UHFFFAOYSA-N 2 1 321.465 1.139 20 30 DDEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001370037669 902435067 /nfs/dbraw/zinc/43/50/67/902435067.db2.gz IWASTWSBNFMOEE-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001370037669 902435075 /nfs/dbraw/zinc/43/50/75/902435075.db2.gz IWASTWSBNFMOEE-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001370037669 902435081 /nfs/dbraw/zinc/43/50/81/902435081.db2.gz IWASTWSBNFMOEE-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001370037669 902435089 /nfs/dbraw/zinc/43/50/89/902435089.db2.gz IWASTWSBNFMOEE-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001265846298 902484686 /nfs/dbraw/zinc/48/46/86/902484686.db2.gz KVJMZLWNCLXJRR-CQSZACIVSA-N 2 1 313.405 1.941 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC=C)CC1 ZINC001280365241 903611043 /nfs/dbraw/zinc/61/10/43/903611043.db2.gz RISQIDMNKXHENG-BZSNNMDCSA-N 2 1 317.477 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC=C)CC1 ZINC001280365241 903611058 /nfs/dbraw/zinc/61/10/58/903611058.db2.gz RISQIDMNKXHENG-BZSNNMDCSA-N 2 1 317.477 1.925 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001280977775 904262164 /nfs/dbraw/zinc/26/21/64/904262164.db2.gz CICAPZZHZVYXEW-MRXNPFEDSA-N 2 1 321.465 1.398 20 30 DDEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001282557869 905868480 /nfs/dbraw/zinc/86/84/80/905868480.db2.gz JUYNZGSSUANRAC-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001283913714 908170999 /nfs/dbraw/zinc/17/09/99/908170999.db2.gz QKNUTHNMUCRNFZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001284155064 908561701 /nfs/dbraw/zinc/56/17/01/908561701.db2.gz QXPVYTDTXCNJMB-MSOLQXFVSA-N 2 1 313.445 1.279 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001284372040 908903449 /nfs/dbraw/zinc/90/34/49/908903449.db2.gz KRRLSSCRIUGOJL-OLZOCXBDSA-N 2 1 321.387 1.739 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001376846175 919558510 /nfs/dbraw/zinc/55/85/10/919558510.db2.gz HPXAVJPUTOGSOQ-ZDUSSCGKSA-N 2 1 320.412 1.633 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000083032162 353704742 /nfs/dbraw/zinc/70/47/42/353704742.db2.gz LABQTGTTZVYWCT-BBRMVZONSA-N 2 1 314.433 1.899 20 30 DDEDMP N#Cc1sccc1N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595903347 356699072 /nfs/dbraw/zinc/69/90/72/356699072.db2.gz PEDAIUVRJQBGHF-ZDUSSCGKSA-N 2 1 318.446 1.263 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)[C@H](C)C1 ZINC000599373104 357914545 /nfs/dbraw/zinc/91/45/45/357914545.db2.gz SZELRYKYSTYHGP-ZACQAIPSSA-N 2 1 323.481 1.768 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430156 781936592 /nfs/dbraw/zinc/93/65/92/781936592.db2.gz IUGAHEKWNVQOFZ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602577173 359052576 /nfs/dbraw/zinc/05/25/76/359052576.db2.gz UJGUUQHNDWOMGW-DLBZAZTESA-N 2 1 314.433 1.646 20 30 DDEDMP C=CC[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000625702817 367099346 /nfs/dbraw/zinc/09/93/46/367099346.db2.gz HIQUNEPZDLVZFR-INIZCTEOSA-N 2 1 317.433 1.822 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346451011 223357104 /nfs/dbraw/zinc/35/71/04/223357104.db2.gz YHSIBHOKRCFBNB-CYBMUJFWSA-N 2 1 303.410 1.464 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346451011 223357106 /nfs/dbraw/zinc/35/71/06/223357106.db2.gz YHSIBHOKRCFBNB-CYBMUJFWSA-N 2 1 303.410 1.464 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000566415198 304152164 /nfs/dbraw/zinc/15/21/64/304152164.db2.gz YGDNNGKWWDKNJM-GOSISDBHSA-N 2 1 313.449 1.554 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000566415198 304152166 /nfs/dbraw/zinc/15/21/66/304152166.db2.gz YGDNNGKWWDKNJM-GOSISDBHSA-N 2 1 313.449 1.554 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000125433207 407388675 /nfs/dbraw/zinc/38/86/75/407388675.db2.gz VVJFBHBXIBWVPZ-INIZCTEOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000128553185 407549286 /nfs/dbraw/zinc/54/92/86/407549286.db2.gz UJYKKFFGHNMNRY-KRWDZBQOSA-N 2 1 323.481 1.190 20 30 DDEDMP C[NH+]=C(NCc1ccoc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179088354 407719178 /nfs/dbraw/zinc/71/91/78/407719178.db2.gz IZXUUDRRLHUKIN-OAHLLOKOSA-N 2 1 306.410 1.009 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(C2CC2)cs1 ZINC000153207610 407775792 /nfs/dbraw/zinc/77/57/92/407775792.db2.gz AAHKAOSJVNGEFI-GFCCVEGCSA-N 2 1 307.467 1.909 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000246159470 408156129 /nfs/dbraw/zinc/15/61/29/408156129.db2.gz DUOOKSOKFSMEQM-GOEBONIOSA-N 2 1 308.470 1.618 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN([C@H](C(N)=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000139897119 162131889 /nfs/dbraw/zinc/13/18/89/162131889.db2.gz MCJUKTCZCOJEMI-IKGGRYGDSA-N 2 1 312.417 1.501 20 30 DDEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000264078238 408360470 /nfs/dbraw/zinc/36/04/70/408360470.db2.gz GLPLUNKQYFZCPG-AWEZNQCLSA-N 2 1 302.422 1.080 20 30 DDEDMP C[C@@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000264078238 408360476 /nfs/dbraw/zinc/36/04/76/408360476.db2.gz GLPLUNKQYFZCPG-AWEZNQCLSA-N 2 1 302.422 1.080 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264101625 408367219 /nfs/dbraw/zinc/36/72/19/408367219.db2.gz OGYUQRFXPVCFNB-KBPBESRZSA-N 2 1 304.438 1.372 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264101625 408367225 /nfs/dbraw/zinc/36/72/25/408367225.db2.gz OGYUQRFXPVCFNB-KBPBESRZSA-N 2 1 304.438 1.372 20 30 DDEDMP N#Cc1ncn(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000287706354 409079950 /nfs/dbraw/zinc/07/99/50/409079950.db2.gz XHIBUZMCZFNWRE-UHFFFAOYSA-N 2 1 324.432 1.446 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000303870781 409554077 /nfs/dbraw/zinc/55/40/77/409554077.db2.gz FMYLTDPSULZILT-KRWDZBQOSA-N 2 1 316.449 1.688 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000317428695 409863744 /nfs/dbraw/zinc/86/37/44/409863744.db2.gz PETFGBVMASSSPR-BMFZPTHFSA-N 2 1 303.406 1.370 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000357652291 410166574 /nfs/dbraw/zinc/16/65/74/410166574.db2.gz LMUIFKZTAYAWBT-IYBDPMFKSA-N 2 1 312.498 1.667 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000357652291 410166580 /nfs/dbraw/zinc/16/65/80/410166580.db2.gz LMUIFKZTAYAWBT-IYBDPMFKSA-N 2 1 312.498 1.667 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)[C@@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000357652291 410166586 /nfs/dbraw/zinc/16/65/86/410166586.db2.gz LMUIFKZTAYAWBT-IYBDPMFKSA-N 2 1 312.498 1.667 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCC(=O)N2CCCC2)C[C@H]1C ZINC000329441105 410299437 /nfs/dbraw/zinc/29/94/37/410299437.db2.gz BFWCRMNNFBYACD-CABCVRRESA-N 2 1 324.469 1.370 20 30 DDEDMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329703638 410418101 /nfs/dbraw/zinc/41/81/01/410418101.db2.gz ILEZURLPAMPZBJ-MCIONIFRSA-N 2 1 317.437 1.740 20 30 DDEDMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329703638 410418108 /nfs/dbraw/zinc/41/81/08/410418108.db2.gz ILEZURLPAMPZBJ-MCIONIFRSA-N 2 1 317.437 1.740 20 30 DDEDMP CN(C[C@H]1CCC[N@H+](C)C1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330286535 410613583 /nfs/dbraw/zinc/61/35/83/410613583.db2.gz ZYJXQPAYQOORTN-UONOGXRCSA-N 2 1 305.426 1.386 20 30 DDEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330286535 410613589 /nfs/dbraw/zinc/61/35/89/410613589.db2.gz ZYJXQPAYQOORTN-UONOGXRCSA-N 2 1 305.426 1.386 20 30 DDEDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C#N)c1 ZINC000344167439 411002166 /nfs/dbraw/zinc/00/21/66/411002166.db2.gz KWSFLPTVECIZDY-RHSMWYFYSA-N 2 1 314.433 1.796 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N(C)Cc1ccon1 ZINC000261860428 222260512 /nfs/dbraw/zinc/26/05/12/222260512.db2.gz ZFTKSMMUDOTDJQ-KBPBESRZSA-N 2 1 307.442 1.945 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000262487610 222282905 /nfs/dbraw/zinc/28/29/05/222282905.db2.gz SXWGWUMLGRAIOB-OAHLLOKOSA-N 2 1 308.451 1.859 20 30 DDEDMP COc1ccccc1[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCCC1 ZINC000262683720 222289687 /nfs/dbraw/zinc/28/96/87/222289687.db2.gz XMWMEJQWBZQUEG-UKRRQHHQSA-N 2 1 302.422 1.769 20 30 DDEDMP C[NH+]=C(NCc1ccsc1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262821498 222296522 /nfs/dbraw/zinc/29/65/22/222296522.db2.gz XABGSBKEHGOSDV-CQSZACIVSA-N 2 1 312.508 1.850 20 30 DDEDMP C[NH+]=C(NCc1nccn1C(F)F)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262844776 222297612 /nfs/dbraw/zinc/29/76/12/222297612.db2.gz YCARWBGXGASERP-SNVBAGLBSA-N 2 1 312.368 1.180 20 30 DDEDMP C[NH+]=C(NCc1nccn1C(F)F)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262844776 222297613 /nfs/dbraw/zinc/29/76/13/222297613.db2.gz YCARWBGXGASERP-SNVBAGLBSA-N 2 1 312.368 1.180 20 30 DDEDMP C=CC[NH+]1CCC(Nc2nc(N[C@@H]3CCCOC3)cc[nH+]2)CC1 ZINC000333177446 418616149 /nfs/dbraw/zinc/61/61/49/418616149.db2.gz RNASWGVJQYQRJL-OAHLLOKOSA-N 2 1 317.437 2.130 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(F)cc1 ZINC000264112636 222318957 /nfs/dbraw/zinc/31/89/57/222318957.db2.gz RMSRGTLINHOQOX-AWEZNQCLSA-N 2 1 308.401 1.593 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000369027960 418728225 /nfs/dbraw/zinc/72/82/25/418728225.db2.gz SCSXHNAOYUKIOR-KRWDZBQOSA-N 2 1 315.465 1.665 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424136502 228233190 /nfs/dbraw/zinc/23/31/90/228233190.db2.gz QSNRULQPQJSYHA-IRXDYDNUSA-N 2 1 314.433 1.788 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976019 423152550 /nfs/dbraw/zinc/15/25/50/423152550.db2.gz IVLFDGXAYMCAEL-IRXDYDNUSA-N 2 1 305.466 1.899 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)CC#N)CC2)CC1 ZINC000553164158 421604532 /nfs/dbraw/zinc/60/45/32/421604532.db2.gz GXXXTBHZAVJAOT-HNNXBMFYSA-N 2 1 320.481 1.943 20 30 DDEDMP C=CC[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000637265945 422108233 /nfs/dbraw/zinc/10/82/33/422108233.db2.gz SYDSENFHCAVYNM-HOTGVXAUSA-N 2 1 310.486 1.866 20 30 DDEDMP C=CC[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000637265945 422108237 /nfs/dbraw/zinc/10/82/37/422108237.db2.gz SYDSENFHCAVYNM-HOTGVXAUSA-N 2 1 310.486 1.866 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000491665260 275380147 /nfs/dbraw/zinc/38/01/47/275380147.db2.gz KHUXLLJNIWHGMM-JKSUJKDBSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000491665260 275380148 /nfs/dbraw/zinc/38/01/48/275380148.db2.gz KHUXLLJNIWHGMM-JKSUJKDBSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000491665260 275380149 /nfs/dbraw/zinc/38/01/49/275380149.db2.gz KHUXLLJNIWHGMM-JKSUJKDBSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000491474485 275383455 /nfs/dbraw/zinc/38/34/55/275383455.db2.gz NEDVYHCPGUMQPY-RHSMWYFYSA-N 2 1 319.474 1.860 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000491474485 275383456 /nfs/dbraw/zinc/38/34/56/275383456.db2.gz NEDVYHCPGUMQPY-RHSMWYFYSA-N 2 1 319.474 1.860 20 30 DDEDMP C[C@@H]1C[N@@H+](CCCSCC#N)CCN1C1CC[NH+](C)CC1 ZINC000378372604 288164514 /nfs/dbraw/zinc/16/45/14/288164514.db2.gz WGBAWWCQWFZHHW-OAHLLOKOSA-N 2 1 310.511 1.734 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267441004 293017718 /nfs/dbraw/zinc/01/77/18/293017718.db2.gz PDANOUJXCYDWDO-ZDUSSCGKSA-N 2 1 304.438 1.025 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000081361694 341287697 /nfs/dbraw/zinc/28/76/97/341287697.db2.gz MZIXKSKGPORMAR-MRXNPFEDSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000491752264 526820642 /nfs/dbraw/zinc/82/06/42/526820642.db2.gz VXZICJBDWZFHEV-GOSISDBHSA-N 2 1 315.461 1.968 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC)[NH+](C)Cc1ccccc1 ZINC000491752264 526820646 /nfs/dbraw/zinc/82/06/46/526820646.db2.gz VXZICJBDWZFHEV-GOSISDBHSA-N 2 1 315.461 1.968 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)[NH+](C)Cc1ccccc1 ZINC000491752264 526820649 /nfs/dbraw/zinc/82/06/49/526820649.db2.gz VXZICJBDWZFHEV-GOSISDBHSA-N 2 1 315.461 1.968 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980236320 696715651 /nfs/dbraw/zinc/71/56/51/696715651.db2.gz DFTYUGHVHTWHAS-BBWFWOEESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577399 695688871 /nfs/dbraw/zinc/68/88/71/695688871.db2.gz MWFGTNBTBZTTLI-HZPDHXFCSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C(C)(C)C1 ZINC000977656323 696246194 /nfs/dbraw/zinc/24/61/94/696246194.db2.gz POAKHKXZOXUKJW-QGZVFWFLSA-N 2 1 315.461 1.182 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978167413 696334837 /nfs/dbraw/zinc/33/48/37/696334837.db2.gz LRYPQWZNOPPKAL-HHARLNAUSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978167413 696334840 /nfs/dbraw/zinc/33/48/40/696334840.db2.gz LRYPQWZNOPPKAL-HHARLNAUSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978167413 696334843 /nfs/dbraw/zinc/33/48/43/696334843.db2.gz LRYPQWZNOPPKAL-HHARLNAUSA-N 2 1 305.466 1.587 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000104153228 696618736 /nfs/dbraw/zinc/61/87/36/696618736.db2.gz MQWXQRIIDXWPIN-AWEZNQCLSA-N 2 1 320.437 1.592 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC000980477987 696783030 /nfs/dbraw/zinc/78/30/30/696783030.db2.gz LRBYWMCPCBKAGB-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000981600237 696835920 /nfs/dbraw/zinc/83/59/20/696835920.db2.gz UYNRMWKLXIIGIK-UHFFFAOYSA-N 2 1 323.400 1.439 20 30 DDEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981665483 696865214 /nfs/dbraw/zinc/86/52/14/696865214.db2.gz DKTYAFIRQUPGSD-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981665483 696865216 /nfs/dbraw/zinc/86/52/16/696865216.db2.gz DKTYAFIRQUPGSD-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981665483 696865220 /nfs/dbraw/zinc/86/52/20/696865220.db2.gz DKTYAFIRQUPGSD-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC000981865452 696947742 /nfs/dbraw/zinc/94/77/42/696947742.db2.gz SBSOTDKDPIFHNN-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162654 697046103 /nfs/dbraw/zinc/04/61/03/697046103.db2.gz XQOGDEDSRDTTLN-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279844 697082225 /nfs/dbraw/zinc/08/22/25/697082225.db2.gz KKHBCDATBNBHCO-YTQUADARSA-N 2 1 317.477 1.685 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CCC)C[C@]2(C)C1 ZINC000982299019 697087441 /nfs/dbraw/zinc/08/74/41/697087441.db2.gz UCZMZMIJVQNWCQ-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC000982299019 697087444 /nfs/dbraw/zinc/08/74/44/697087444.db2.gz UCZMZMIJVQNWCQ-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCC)C[C@]2(C)C1 ZINC000982299019 697087447 /nfs/dbraw/zinc/08/74/47/697087447.db2.gz UCZMZMIJVQNWCQ-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCC)C[C@]2(C)C1 ZINC000982299019 697087449 /nfs/dbraw/zinc/08/74/49/697087449.db2.gz UCZMZMIJVQNWCQ-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982474314 697136153 /nfs/dbraw/zinc/13/61/53/697136153.db2.gz AKCOTACZGOUNLK-PBWTXFEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982474314 697136154 /nfs/dbraw/zinc/13/61/54/697136154.db2.gz AKCOTACZGOUNLK-PBWTXFEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982474314 697136155 /nfs/dbraw/zinc/13/61/55/697136155.db2.gz AKCOTACZGOUNLK-PBWTXFEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@@]2(C)C1 ZINC000982831511 697183461 /nfs/dbraw/zinc/18/34/61/697183461.db2.gz NECHQKHCPMWVQC-PBWTXFEYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000985694794 697557915 /nfs/dbraw/zinc/55/79/15/697557915.db2.gz OHNZHHQIVGPIKD-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000985694794 697557917 /nfs/dbraw/zinc/55/79/17/697557917.db2.gz OHNZHHQIVGPIKD-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000985694794 697557919 /nfs/dbraw/zinc/55/79/19/697557919.db2.gz OHNZHHQIVGPIKD-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985756485 697568776 /nfs/dbraw/zinc/56/87/76/697568776.db2.gz QGNHUVPGRPTCBG-UHFFFAOYSA-N 2 1 311.857 1.758 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000303880941 698608906 /nfs/dbraw/zinc/60/89/06/698608906.db2.gz KKGXNVZOLZXLRX-CQSZACIVSA-N 2 1 319.453 1.305 20 30 DDEDMP CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCCCC1 ZINC000305757820 698654488 /nfs/dbraw/zinc/65/44/88/698654488.db2.gz AWYDAGRYWUJODM-UHFFFAOYSA-N 2 1 310.486 1.974 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000784609862 699031283 /nfs/dbraw/zinc/03/12/83/699031283.db2.gz LUFQCDWEBMQWOK-UHFFFAOYSA-N 2 1 320.418 1.266 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000732134232 699547564 /nfs/dbraw/zinc/54/75/64/699547564.db2.gz RZYQAQYRAJMZGZ-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000732134232 699547565 /nfs/dbraw/zinc/54/75/65/699547565.db2.gz RZYQAQYRAJMZGZ-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000732134232 699547566 /nfs/dbraw/zinc/54/75/66/699547566.db2.gz RZYQAQYRAJMZGZ-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000732134232 699547567 /nfs/dbraw/zinc/54/75/67/699547567.db2.gz RZYQAQYRAJMZGZ-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000763433272 700937977 /nfs/dbraw/zinc/93/79/77/700937977.db2.gz POQAKHPUYQTBAQ-MRXNPFEDSA-N 2 1 320.481 1.993 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000763433272 700937979 /nfs/dbraw/zinc/93/79/79/700937979.db2.gz POQAKHPUYQTBAQ-MRXNPFEDSA-N 2 1 320.481 1.993 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000847377720 703410495 /nfs/dbraw/zinc/41/04/95/703410495.db2.gz GDFMISHYOIRKEM-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C=CCNC(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000848988581 703607516 /nfs/dbraw/zinc/60/75/16/703607516.db2.gz PPEMAVSUBWDXPB-UHFFFAOYSA-N 2 1 315.465 1.494 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)C(C)C ZINC000848991495 703607933 /nfs/dbraw/zinc/60/79/33/703607933.db2.gz JMDWFWZFISBSMP-HZPDHXFCSA-N 2 1 308.470 1.930 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000852359180 704023229 /nfs/dbraw/zinc/02/32/29/704023229.db2.gz DSRSENIDIOCOKB-QGZVFWFLSA-N 2 1 320.481 1.363 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000852359180 704023232 /nfs/dbraw/zinc/02/32/32/704023232.db2.gz DSRSENIDIOCOKB-QGZVFWFLSA-N 2 1 320.481 1.363 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000852359180 704023235 /nfs/dbraw/zinc/02/32/35/704023235.db2.gz DSRSENIDIOCOKB-QGZVFWFLSA-N 2 1 320.481 1.363 20 30 DDEDMP Cc1ccc(C#N)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000824827003 705537273 /nfs/dbraw/zinc/53/72/73/705537273.db2.gz WFKMDWVYOZVCLF-HNNXBMFYSA-N 2 1 316.449 1.869 20 30 DDEDMP Cc1ccc(C#N)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000824827003 705537277 /nfs/dbraw/zinc/53/72/77/705537277.db2.gz WFKMDWVYOZVCLF-HNNXBMFYSA-N 2 1 316.449 1.869 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876902266 705915991 /nfs/dbraw/zinc/91/59/91/705915991.db2.gz LOMXXAQNQPEGRE-AEGPPILISA-N 2 1 311.857 1.932 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000899908868 709234161 /nfs/dbraw/zinc/23/41/61/709234161.db2.gz FGOZEBQGXHZJTN-UHFFFAOYSA-N 2 1 301.434 1.839 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000899909340 709234452 /nfs/dbraw/zinc/23/44/52/709234452.db2.gz AGYDWBDSPJKWDT-MRXNPFEDSA-N 2 1 315.417 1.468 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000899909340 709234454 /nfs/dbraw/zinc/23/44/54/709234454.db2.gz AGYDWBDSPJKWDT-MRXNPFEDSA-N 2 1 315.417 1.468 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC)CCC[NH+](CC)CC)C1 ZINC000890367739 709840514 /nfs/dbraw/zinc/84/05/14/709840514.db2.gz SQPIWHWMKFVBAK-QGZVFWFLSA-N 2 1 322.497 1.847 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC)CCC[NH+](CC)CC)C1 ZINC000890367739 709840519 /nfs/dbraw/zinc/84/05/19/709840519.db2.gz SQPIWHWMKFVBAK-QGZVFWFLSA-N 2 1 322.497 1.847 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000890371459 709843063 /nfs/dbraw/zinc/84/30/63/709843063.db2.gz VVAQXMKVDWVPCC-SJORKVTESA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000890371459 709843067 /nfs/dbraw/zinc/84/30/67/709843067.db2.gz VVAQXMKVDWVPCC-SJORKVTESA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000890371459 709843072 /nfs/dbraw/zinc/84/30/72/709843072.db2.gz VVAQXMKVDWVPCC-SJORKVTESA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000890371459 709843077 /nfs/dbraw/zinc/84/30/77/709843077.db2.gz VVAQXMKVDWVPCC-SJORKVTESA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000894863862 711301033 /nfs/dbraw/zinc/30/10/33/711301033.db2.gz YJSZGFKAFRPZRB-KRWDZBQOSA-N 2 1 315.461 1.956 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000894863862 711301038 /nfs/dbraw/zinc/30/10/38/711301038.db2.gz YJSZGFKAFRPZRB-KRWDZBQOSA-N 2 1 315.461 1.956 20 30 DDEDMP CC(C)(C)NC(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)=[NH+]CC1CC1 ZINC000912505950 711357325 /nfs/dbraw/zinc/35/73/25/711357325.db2.gz KHYLBMLIMKXBEQ-LSDHHAIUSA-N 2 1 308.470 1.593 20 30 DDEDMP C#CCN(C(=O)NCCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000914250660 713365915 /nfs/dbraw/zinc/36/59/15/713365915.db2.gz XFEVDGAPWMOLSS-UHFFFAOYSA-N 2 1 317.437 1.321 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923354244 714324627 /nfs/dbraw/zinc/32/46/27/714324627.db2.gz BANDJDXLPKNVCR-SJLPKXTDSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000923354244 714324629 /nfs/dbraw/zinc/32/46/29/714324629.db2.gz BANDJDXLPKNVCR-SJLPKXTDSA-N 2 1 315.417 1.373 20 30 DDEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)C2CC([NH3+])C2)c(OC)c1 ZINC000923360733 714327494 /nfs/dbraw/zinc/32/74/94/714327494.db2.gz FDRNAWJHZAOQLC-UYSNPLJNSA-N 2 1 320.433 1.585 20 30 DDEDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000923371292 714331681 /nfs/dbraw/zinc/33/16/81/714331681.db2.gz XCVPILVCQSNWJO-LGWLGOQQSA-N 2 1 303.406 1.274 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC000958414092 716538624 /nfs/dbraw/zinc/53/86/24/716538624.db2.gz CIJUSIVFIOSUOY-XDNAFOTISA-N 2 1 324.428 1.199 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961278371 716892169 /nfs/dbraw/zinc/89/21/69/716892169.db2.gz CAGVSINYOQMISX-ZWKOTPCHSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843156 716985858 /nfs/dbraw/zinc/98/58/58/716985858.db2.gz XYWOVTVAQIATCI-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843156 716985861 /nfs/dbraw/zinc/98/58/61/716985861.db2.gz XYWOVTVAQIATCI-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843156 716985867 /nfs/dbraw/zinc/98/58/67/716985867.db2.gz XYWOVTVAQIATCI-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842441 716986438 /nfs/dbraw/zinc/98/64/38/716986438.db2.gz GUZBVRFGZNBKNT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842441 716986441 /nfs/dbraw/zinc/98/64/41/716986441.db2.gz GUZBVRFGZNBKNT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842441 716986446 /nfs/dbraw/zinc/98/64/46/716986446.db2.gz GUZBVRFGZNBKNT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755346 718184135 /nfs/dbraw/zinc/18/41/35/718184135.db2.gz CEUPTLWCXCZTKU-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)[C@H](C)C1 ZINC000944167973 718264663 /nfs/dbraw/zinc/26/46/63/718264663.db2.gz HFLZBSQAFBEZII-HIFRSBDPSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167973 718264664 /nfs/dbraw/zinc/26/46/64/718264664.db2.gz HFLZBSQAFBEZII-HIFRSBDPSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167973 718264665 /nfs/dbraw/zinc/26/46/65/718264665.db2.gz HFLZBSQAFBEZII-HIFRSBDPSA-N 2 1 302.422 1.774 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967203682 718790621 /nfs/dbraw/zinc/79/06/21/718790621.db2.gz GAZVWPGJNJTNCS-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967203682 718790622 /nfs/dbraw/zinc/79/06/22/718790622.db2.gz GAZVWPGJNJTNCS-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967210117 718792079 /nfs/dbraw/zinc/79/20/79/718792079.db2.gz VDHOZZKSCHTGPS-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947505893 719191233 /nfs/dbraw/zinc/19/12/33/719191233.db2.gz GJGLWMQKXQRNGE-HOCLYGCPSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857486 719291189 /nfs/dbraw/zinc/29/11/89/719291189.db2.gz LZMUFAPNFGUFOK-ZBFHGGJFSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857486 719291193 /nfs/dbraw/zinc/29/11/93/719291193.db2.gz LZMUFAPNFGUFOK-ZBFHGGJFSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423854 719492072 /nfs/dbraw/zinc/49/20/72/719492072.db2.gz DZLKOUYKNIARCP-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423854 719492073 /nfs/dbraw/zinc/49/20/73/719492073.db2.gz DZLKOUYKNIARCP-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423854 719492079 /nfs/dbraw/zinc/49/20/79/719492079.db2.gz DZLKOUYKNIARCP-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000948647165 719616045 /nfs/dbraw/zinc/61/60/45/719616045.db2.gz FCJHSNQCPBMQPZ-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968493719 719622538 /nfs/dbraw/zinc/62/25/38/719622538.db2.gz WNCREZMHKDGTAI-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC=C)CC[C@@H]2C)CC1 ZINC000968680537 719732716 /nfs/dbraw/zinc/73/27/16/719732716.db2.gz AZZGUJUKJOSDSJ-WMZOPIPTSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968858497 719827490 /nfs/dbraw/zinc/82/74/90/719827490.db2.gz GSBVDPAYARMNDK-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970317821 720705705 /nfs/dbraw/zinc/70/57/05/720705705.db2.gz LNTQMCKUGNRGCP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167235910 732851269 /nfs/dbraw/zinc/85/12/69/732851269.db2.gz CSQSRVGKDSZPLB-HNNXBMFYSA-N 2 1 316.449 1.816 20 30 DDEDMP C=CCCC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098560896 734601087 /nfs/dbraw/zinc/60/10/87/734601087.db2.gz GTQXOCVBTVLLKA-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560896 734601090 /nfs/dbraw/zinc/60/10/90/734601090.db2.gz GTQXOCVBTVLLKA-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560896 734601094 /nfs/dbraw/zinc/60/10/94/734601094.db2.gz GTQXOCVBTVLLKA-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372264 735203634 /nfs/dbraw/zinc/20/36/34/735203634.db2.gz PYCLOGRNKUFFNV-NVXWUHKLSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023451098 735243493 /nfs/dbraw/zinc/24/34/93/735243493.db2.gz FQQNANYUCSLUOY-CVEARBPZSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454524 735246424 /nfs/dbraw/zinc/24/64/24/735246424.db2.gz XUILVGNCCQLACF-AWEZNQCLSA-N 2 1 318.421 1.201 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454524 735246425 /nfs/dbraw/zinc/24/64/25/735246425.db2.gz XUILVGNCCQLACF-AWEZNQCLSA-N 2 1 318.421 1.201 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3ccnc3C)C(C)(C)[C@H]21 ZINC001087318209 736086159 /nfs/dbraw/zinc/08/61/59/736086159.db2.gz SSNYAILWJJLVRK-PVAVHDDUSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087318209 736086163 /nfs/dbraw/zinc/08/61/63/736086163.db2.gz SSNYAILWJJLVRK-PVAVHDDUSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cn3cc[nH+]c3C)C(C)(C)[C@H]21 ZINC001087318209 736086168 /nfs/dbraw/zinc/08/61/68/736086168.db2.gz SSNYAILWJJLVRK-PVAVHDDUSA-N 2 1 316.449 1.983 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350549 736313312 /nfs/dbraw/zinc/31/33/12/736313312.db2.gz QVJTYOCRDGBJFQ-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001025817987 736869348 /nfs/dbraw/zinc/86/93/48/736869348.db2.gz JTPXDHMCYSKKGU-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025817987 736869353 /nfs/dbraw/zinc/86/93/53/736869353.db2.gz JTPXDHMCYSKKGU-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025817987 736869358 /nfs/dbraw/zinc/86/93/58/736869358.db2.gz JTPXDHMCYSKKGU-UUAJXVIYSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007934 737454849 /nfs/dbraw/zinc/45/48/49/737454849.db2.gz JDYSXSBCJQAGGI-BPLDGKMQSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001026528785 737636918 /nfs/dbraw/zinc/63/69/18/737636918.db2.gz XJFFVTBJKRZBSK-UHFFFAOYSA-N 2 1 310.829 1.961 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001026530302 737639541 /nfs/dbraw/zinc/63/95/41/737639541.db2.gz MNCFPZCDKGTYDT-QFQXCOSMSA-N 2 1 319.449 1.053 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008750665 738009905 /nfs/dbraw/zinc/00/99/05/738009905.db2.gz XKRAKOWTLZRLNP-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027460921 738315283 /nfs/dbraw/zinc/31/52/83/738315283.db2.gz RLALNWFWVZHRJN-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027547896 738393478 /nfs/dbraw/zinc/39/34/78/738393478.db2.gz YMMMKCHAYCHTSL-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027547896 738393482 /nfs/dbraw/zinc/39/34/82/738393482.db2.gz YMMMKCHAYCHTSL-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547896 738393485 /nfs/dbraw/zinc/39/34/85/738393485.db2.gz YMMMKCHAYCHTSL-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547896 738393490 /nfs/dbraw/zinc/39/34/90/738393490.db2.gz YMMMKCHAYCHTSL-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103339 739039354 /nfs/dbraw/zinc/03/93/54/739039354.db2.gz NYDAGAZDNSNPST-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103339 739039357 /nfs/dbraw/zinc/03/93/57/739039357.db2.gz NYDAGAZDNSNPST-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001028329351 739367633 /nfs/dbraw/zinc/36/76/33/739367633.db2.gz KJPREWMDILCBDC-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001028329351 739367638 /nfs/dbraw/zinc/36/76/38/739367638.db2.gz KJPREWMDILCBDC-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001028329351 739367642 /nfs/dbraw/zinc/36/76/42/739367642.db2.gz KJPREWMDILCBDC-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329351 739367646 /nfs/dbraw/zinc/36/76/46/739367646.db2.gz KJPREWMDILCBDC-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001028329351 739367650 /nfs/dbraw/zinc/36/76/50/739367650.db2.gz KJPREWMDILCBDC-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590673 739721553 /nfs/dbraw/zinc/72/15/53/739721553.db2.gz DEKARXVXDJWYHC-HUUCEWRRSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590673 739721554 /nfs/dbraw/zinc/72/15/54/739721554.db2.gz DEKARXVXDJWYHC-HUUCEWRRSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758798 740000136 /nfs/dbraw/zinc/00/01/36/740000136.db2.gz XCJRFYQBPYOIOV-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758798 740000142 /nfs/dbraw/zinc/00/01/42/740000142.db2.gz XCJRFYQBPYOIOV-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758798 740000143 /nfs/dbraw/zinc/00/01/43/740000143.db2.gz XCJRFYQBPYOIOV-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800086 740057969 /nfs/dbraw/zinc/05/79/69/740057969.db2.gz ONDKKIJBJQFKDB-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800086 740057977 /nfs/dbraw/zinc/05/79/77/740057977.db2.gz ONDKKIJBJQFKDB-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001029004421 740249832 /nfs/dbraw/zinc/24/98/32/740249832.db2.gz WQBYGXOVYQHNKZ-SJORKVTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593652 740669511 /nfs/dbraw/zinc/66/95/11/740669511.db2.gz OXABJQJPBFIBTK-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593652 740669507 /nfs/dbraw/zinc/66/95/07/740669507.db2.gz OXABJQJPBFIBTK-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593652 740669510 /nfs/dbraw/zinc/66/95/10/740669510.db2.gz OXABJQJPBFIBTK-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001037935027 751573638 /nfs/dbraw/zinc/57/36/38/751573638.db2.gz BDXQXMCETBVGMQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1CC ZINC001037935029 751574481 /nfs/dbraw/zinc/57/44/81/751574481.db2.gz BDXQXMCETBVGMQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967850 740894930 /nfs/dbraw/zinc/89/49/30/740894930.db2.gz OTXOVTHQTCKFQI-FGTMMUONSA-N 2 1 315.461 1.132 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992121 740933340 /nfs/dbraw/zinc/93/33/40/740933340.db2.gz DYYSAXWDCBMTKS-SQNIBIBYSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992121 740933343 /nfs/dbraw/zinc/93/33/43/740933343.db2.gz DYYSAXWDCBMTKS-SQNIBIBYSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]2C1 ZINC001087992121 740933346 /nfs/dbraw/zinc/93/33/46/740933346.db2.gz DYYSAXWDCBMTKS-SQNIBIBYSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001088324862 741387083 /nfs/dbraw/zinc/38/70/83/741387083.db2.gz BOTAALQWLDCOEA-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375556 742336386 /nfs/dbraw/zinc/33/63/86/742336386.db2.gz PTCNCLRMKBMMAM-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375556 742336393 /nfs/dbraw/zinc/33/63/93/742336393.db2.gz PTCNCLRMKBMMAM-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375556 742336399 /nfs/dbraw/zinc/33/63/99/742336399.db2.gz PTCNCLRMKBMMAM-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821870 742460127 /nfs/dbraw/zinc/46/01/27/742460127.db2.gz QYYPGFCZGIBLCF-KMFMINBZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821870 742460129 /nfs/dbraw/zinc/46/01/29/742460129.db2.gz QYYPGFCZGIBLCF-KMFMINBZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035675706 751755449 /nfs/dbraw/zinc/75/54/49/751755449.db2.gz AKJHVHFRCDXHST-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035675706 751755454 /nfs/dbraw/zinc/75/54/54/751755454.db2.gz AKJHVHFRCDXHST-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899519 742976720 /nfs/dbraw/zinc/97/67/20/742976720.db2.gz OAJLYTPJDFVZTA-IVMMDQJWSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035705684 751792827 /nfs/dbraw/zinc/79/28/27/751792827.db2.gz AZUJHQUJXTWIDB-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=C)C)C1 ZINC001181764588 743333519 /nfs/dbraw/zinc/33/35/19/743333519.db2.gz RORZVXIRMWPBMN-ZIFCJYIRSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(=C)C)C1 ZINC001181764588 743333526 /nfs/dbraw/zinc/33/35/26/743333526.db2.gz RORZVXIRMWPBMN-ZIFCJYIRSA-N 2 1 317.477 1.734 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168386200 743782349 /nfs/dbraw/zinc/78/23/49/743782349.db2.gz UTKUAWABDVEWOO-UHFFFAOYSA-N 2 1 311.470 1.551 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183254841 743810728 /nfs/dbraw/zinc/81/07/28/743810728.db2.gz HJIOGKPUTUHDAV-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001183836573 743916251 /nfs/dbraw/zinc/91/62/51/743916251.db2.gz VLEWYHWQVQBDGK-ZIAGYGMSSA-N 2 1 320.437 1.895 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430157 744203204 /nfs/dbraw/zinc/20/32/04/744203204.db2.gz IUGAHEKWNVQOFZ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470144 744228431 /nfs/dbraw/zinc/22/84/31/744228431.db2.gz OEJZHPKMSXSYHV-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470144 744228434 /nfs/dbraw/zinc/22/84/34/744228434.db2.gz OEJZHPKMSXSYHV-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001185761036 744281801 /nfs/dbraw/zinc/28/18/01/744281801.db2.gz FSCIYHUVWXHUMI-IRXDYDNUSA-N 2 1 323.481 1.051 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3nccn32)C1 ZINC001190653059 745285060 /nfs/dbraw/zinc/28/50/60/745285060.db2.gz BJQKOYPQQRECTR-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653059 745285062 /nfs/dbraw/zinc/28/50/62/745285062.db2.gz BJQKOYPQQRECTR-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653059 745285063 /nfs/dbraw/zinc/28/50/63/745285063.db2.gz BJQKOYPQQRECTR-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675364 745292919 /nfs/dbraw/zinc/29/29/19/745292919.db2.gz LJNHOBJUZNDQSN-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675364 745292924 /nfs/dbraw/zinc/29/29/24/745292924.db2.gz LJNHOBJUZNDQSN-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190675364 745292927 /nfs/dbraw/zinc/29/29/27/745292927.db2.gz LJNHOBJUZNDQSN-MRXNPFEDSA-N 2 1 309.454 1.206 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190743541 745315227 /nfs/dbraw/zinc/31/52/27/745315227.db2.gz LAYTYIVTHOBSBH-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190743541 745315234 /nfs/dbraw/zinc/31/52/34/745315234.db2.gz LAYTYIVTHOBSBH-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190743541 745315240 /nfs/dbraw/zinc/31/52/40/745315240.db2.gz LAYTYIVTHOBSBH-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191050572 745421767 /nfs/dbraw/zinc/42/17/67/745421767.db2.gz IYNRIFGVXAINGQ-QGZVFWFLSA-N 2 1 314.433 1.464 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271528 745505236 /nfs/dbraw/zinc/50/52/36/745505236.db2.gz HMJJPXFVFFVQHU-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001191683778 745586460 /nfs/dbraw/zinc/58/64/60/745586460.db2.gz JWBPBEZMNUHCRO-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191987014 745658150 /nfs/dbraw/zinc/65/81/50/745658150.db2.gz CEEQASUIEHCABE-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191987014 745658153 /nfs/dbraw/zinc/65/81/53/745658153.db2.gz CEEQASUIEHCABE-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194226922 746312104 /nfs/dbraw/zinc/31/21/04/746312104.db2.gz IABDBHOWLWMWQN-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001194247316 746320148 /nfs/dbraw/zinc/32/01/48/746320148.db2.gz WKWCUFQWYLAPMA-QGZVFWFLSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC[C@H](C)F)C2)CC1 ZINC001194246555 746320386 /nfs/dbraw/zinc/32/03/86/746320386.db2.gz OQJZNOUGXVYKAK-DOTOQJQBSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015707108 746509736 /nfs/dbraw/zinc/50/97/36/746509736.db2.gz ZWGVALCVESAOSJ-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015707108 746509741 /nfs/dbraw/zinc/50/97/41/746509741.db2.gz ZWGVALCVESAOSJ-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015707108 746509745 /nfs/dbraw/zinc/50/97/45/746509745.db2.gz ZWGVALCVESAOSJ-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC=C)[C@H]2C)CC1 ZINC000994496496 746692856 /nfs/dbraw/zinc/69/28/56/746692856.db2.gz HKTVPIYFTWSFKJ-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491783 747093231 /nfs/dbraw/zinc/09/32/31/747093231.db2.gz VCFLYDXETQZONL-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491783 747093236 /nfs/dbraw/zinc/09/32/36/747093236.db2.gz VCFLYDXETQZONL-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089491783 747093243 /nfs/dbraw/zinc/09/32/43/747093243.db2.gz VCFLYDXETQZONL-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007497157 752175659 /nfs/dbraw/zinc/17/56/59/752175659.db2.gz AZKAYRCEFLGDRC-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007497157 752175662 /nfs/dbraw/zinc/17/56/62/752175662.db2.gz AZKAYRCEFLGDRC-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007497157 752175666 /nfs/dbraw/zinc/17/56/66/752175666.db2.gz AZKAYRCEFLGDRC-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199127548 747707118 /nfs/dbraw/zinc/70/71/18/747707118.db2.gz HHNKUISDPNZOJI-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089731530 747709616 /nfs/dbraw/zinc/70/96/16/747709616.db2.gz FOZDRFXWWBLMNS-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089731530 747709623 /nfs/dbraw/zinc/70/96/23/747709623.db2.gz FOZDRFXWWBLMNS-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089731530 747709630 /nfs/dbraw/zinc/70/96/30/747709630.db2.gz FOZDRFXWWBLMNS-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199944316 748047078 /nfs/dbraw/zinc/04/70/78/748047078.db2.gz XCRABBSWVCFMHK-GOEBONIOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944316 748047086 /nfs/dbraw/zinc/04/70/86/748047086.db2.gz XCRABBSWVCFMHK-GOEBONIOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805085 748350247 /nfs/dbraw/zinc/35/02/47/748350247.db2.gz IXAOGGSLFQKQMO-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001200894100 748362328 /nfs/dbraw/zinc/36/23/28/748362328.db2.gz MMOUANDPFKQXNR-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053440 748408308 /nfs/dbraw/zinc/40/83/08/748408308.db2.gz OZYHWTHROOMXFJ-OAHLLOKOSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001201327762 748481203 /nfs/dbraw/zinc/48/12/03/748481203.db2.gz SMBUWULWHQGDDL-UHFFFAOYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004622439 748589000 /nfs/dbraw/zinc/58/90/00/748589000.db2.gz NALMLMAZYOGMAV-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004622439 748589003 /nfs/dbraw/zinc/58/90/03/748589003.db2.gz NALMLMAZYOGMAV-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004622439 748589004 /nfs/dbraw/zinc/58/90/04/748589004.db2.gz NALMLMAZYOGMAV-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001033163030 748690010 /nfs/dbraw/zinc/69/00/10/748690010.db2.gz XKBPFYQNKCTBQA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(=C)C)C1 ZINC001033163030 748690014 /nfs/dbraw/zinc/69/00/14/748690014.db2.gz XKBPFYQNKCTBQA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001033163030 748690020 /nfs/dbraw/zinc/69/00/20/748690020.db2.gz XKBPFYQNKCTBQA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(=C)C)C1 ZINC001033163030 748690026 /nfs/dbraw/zinc/69/00/26/748690026.db2.gz XKBPFYQNKCTBQA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(=C)C)C1 ZINC001033163030 748690029 /nfs/dbraw/zinc/69/00/29/748690029.db2.gz XKBPFYQNKCTBQA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001032132229 748721755 /nfs/dbraw/zinc/72/17/55/748721755.db2.gz OYPHSECARCTDFG-UHFFFAOYSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366365 749254378 /nfs/dbraw/zinc/25/43/78/749254378.db2.gz QJQHOARSNVGNIM-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366365 749254382 /nfs/dbraw/zinc/25/43/82/749254382.db2.gz QJQHOARSNVGNIM-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490514 749434652 /nfs/dbraw/zinc/43/46/52/749434652.db2.gz SLLLSZFDNMHQJN-INIZCTEOSA-N 2 1 319.453 1.167 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996302135 749497945 /nfs/dbraw/zinc/49/79/45/749497945.db2.gz WDNGBRXJLJGLPS-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996375232 749543324 /nfs/dbraw/zinc/54/33/24/749543324.db2.gz URLPQEZKMKZYRJ-HNNXBMFYSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001033685533 749716436 /nfs/dbraw/zinc/71/64/36/749716436.db2.gz LYUPTDXYVDYPSQ-WBVHZDCISA-N 2 1 323.456 1.612 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785238 750056996 /nfs/dbraw/zinc/05/69/96/750056996.db2.gz HPQGOKBIQVTRHD-HOTGVXAUSA-N 2 1 311.470 1.526 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001032443228 750856842 /nfs/dbraw/zinc/85/68/42/750856842.db2.gz OFTVVOJMGVCFTL-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032443228 750856849 /nfs/dbraw/zinc/85/68/49/750856849.db2.gz OFTVVOJMGVCFTL-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032443228 750856855 /nfs/dbraw/zinc/85/68/55/750856855.db2.gz OFTVVOJMGVCFTL-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114629146 750883888 /nfs/dbraw/zinc/88/38/88/750883888.db2.gz AVOLYEDBFDWXBQ-QLPKVWCKSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCN1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108160605 750898300 /nfs/dbraw/zinc/89/83/00/750898300.db2.gz POLRBGXDJSNIIJ-YQQAZPJKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997422812 750923524 /nfs/dbraw/zinc/92/35/24/750923524.db2.gz ZLKXNWXOYYMLQK-HIFRSBDPSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997422812 750923531 /nfs/dbraw/zinc/92/35/31/750923531.db2.gz ZLKXNWXOYYMLQK-HIFRSBDPSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001114731493 751033104 /nfs/dbraw/zinc/03/31/04/751033104.db2.gz WOWLNLQYMZNYNK-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001114731493 751033110 /nfs/dbraw/zinc/03/31/10/751033110.db2.gz WOWLNLQYMZNYNK-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001114731493 751033117 /nfs/dbraw/zinc/03/31/17/751033117.db2.gz WOWLNLQYMZNYNK-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001114731493 751033125 /nfs/dbraw/zinc/03/31/25/751033125.db2.gz WOWLNLQYMZNYNK-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035196404 751279343 /nfs/dbraw/zinc/27/93/43/751279343.db2.gz JBDXZCDLHQTMSP-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035226026 751303179 /nfs/dbraw/zinc/30/31/79/751303179.db2.gz DHTFHHNVGSYDLK-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035226026 751303184 /nfs/dbraw/zinc/30/31/84/751303184.db2.gz DHTFHHNVGSYDLK-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035226026 751303190 /nfs/dbraw/zinc/30/31/90/751303190.db2.gz DHTFHHNVGSYDLK-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001032663784 752647155 /nfs/dbraw/zinc/64/71/55/752647155.db2.gz CKZJIZNXHOTSBT-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001032663784 752647158 /nfs/dbraw/zinc/64/71/58/752647158.db2.gz CKZJIZNXHOTSBT-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001032663784 752647162 /nfs/dbraw/zinc/64/71/62/752647162.db2.gz CKZJIZNXHOTSBT-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001032663784 752647165 /nfs/dbraw/zinc/64/71/65/752647165.db2.gz CKZJIZNXHOTSBT-ULQDDVLXSA-N 2 1 303.450 1.558 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999766871 753131385 /nfs/dbraw/zinc/13/13/85/753131385.db2.gz TUHZANZBRYTPRN-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430629 753475399 /nfs/dbraw/zinc/47/53/99/753475399.db2.gz URBZNTBIYPDUBS-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430629 753475403 /nfs/dbraw/zinc/47/54/03/753475403.db2.gz URBZNTBIYPDUBS-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430629 753475408 /nfs/dbraw/zinc/47/54/08/753475408.db2.gz URBZNTBIYPDUBS-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001108024610 753575948 /nfs/dbraw/zinc/57/59/48/753575948.db2.gz NFIJFTMDADZERC-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108024610 753575952 /nfs/dbraw/zinc/57/59/52/753575952.db2.gz NFIJFTMDADZERC-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108024610 753575957 /nfs/dbraw/zinc/57/59/57/753575957.db2.gz NFIJFTMDADZERC-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260828 762466224 /nfs/dbraw/zinc/46/62/24/762466224.db2.gz IYVKAZSKXLGZES-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001040260828 762466226 /nfs/dbraw/zinc/46/62/26/762466226.db2.gz IYVKAZSKXLGZES-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260828 762466228 /nfs/dbraw/zinc/46/62/28/762466228.db2.gz IYVKAZSKXLGZES-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001040260828 762466230 /nfs/dbraw/zinc/46/62/30/762466230.db2.gz IYVKAZSKXLGZES-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733028 756504777 /nfs/dbraw/zinc/50/47/77/756504777.db2.gz KAMFNHFHPHUIMA-KURKYZTESA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733028 756504780 /nfs/dbraw/zinc/50/47/80/756504780.db2.gz KAMFNHFHPHUIMA-KURKYZTESA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733028 756504786 /nfs/dbraw/zinc/50/47/86/756504786.db2.gz KAMFNHFHPHUIMA-KURKYZTESA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733028 756504791 /nfs/dbraw/zinc/50/47/91/756504791.db2.gz KAMFNHFHPHUIMA-KURKYZTESA-N 2 1 311.429 1.156 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082199046 756673127 /nfs/dbraw/zinc/67/31/27/756673127.db2.gz YHGCKSMDYCDSJI-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164538871 756767673 /nfs/dbraw/zinc/76/76/73/756767673.db2.gz ODGKPZROIAZAAW-HZPDHXFCSA-N 2 1 311.470 1.546 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651988 757235959 /nfs/dbraw/zinc/23/59/59/757235959.db2.gz MWAUQWSPDLFQMN-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016829754 757388161 /nfs/dbraw/zinc/38/81/61/757388161.db2.gz NLVLILAXBHOUEQ-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001097718413 757411894 /nfs/dbraw/zinc/41/18/94/757411894.db2.gz IXIYQECIVMFQFJ-SIRPWMCASA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097718413 757411898 /nfs/dbraw/zinc/41/18/98/757411898.db2.gz IXIYQECIVMFQFJ-SIRPWMCASA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097718413 757411903 /nfs/dbraw/zinc/41/19/03/757411903.db2.gz IXIYQECIVMFQFJ-SIRPWMCASA-N 2 1 303.450 1.462 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016931932 757486720 /nfs/dbraw/zinc/48/67/20/757486720.db2.gz YSCOZGLDMPAXLP-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338133 757499356 /nfs/dbraw/zinc/49/93/56/757499356.db2.gz GPVYDZXSWXNKII-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338133 757499358 /nfs/dbraw/zinc/49/93/58/757499358.db2.gz GPVYDZXSWXNKII-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338133 757499361 /nfs/dbraw/zinc/49/93/61/757499361.db2.gz GPVYDZXSWXNKII-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700842 757792983 /nfs/dbraw/zinc/79/29/83/757792983.db2.gz CHKXLIDINGMDOP-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700842 757792987 /nfs/dbraw/zinc/79/29/87/757792987.db2.gz CHKXLIDINGMDOP-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143302 762587900 /nfs/dbraw/zinc/58/79/00/762587900.db2.gz DZGLTTJOVZKEST-INIZCTEOSA-N 2 1 312.417 1.135 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143302 762587905 /nfs/dbraw/zinc/58/79/05/762587905.db2.gz DZGLTTJOVZKEST-INIZCTEOSA-N 2 1 312.417 1.135 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001149938 762593211 /nfs/dbraw/zinc/59/32/11/762593211.db2.gz CMEGYVRIHLLTNG-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001149938 762593219 /nfs/dbraw/zinc/59/32/19/762593219.db2.gz CMEGYVRIHLLTNG-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001001149938 762593225 /nfs/dbraw/zinc/59/32/25/762593225.db2.gz CMEGYVRIHLLTNG-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001017599974 758066680 /nfs/dbraw/zinc/06/66/80/758066680.db2.gz CXKXXDVBNPHDOK-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001017599974 758066690 /nfs/dbraw/zinc/06/66/90/758066690.db2.gz CXKXXDVBNPHDOK-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017599974 758066702 /nfs/dbraw/zinc/06/67/02/758066702.db2.gz CXKXXDVBNPHDOK-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001017599974 758066714 /nfs/dbraw/zinc/06/67/14/758066714.db2.gz CXKXXDVBNPHDOK-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941454 758086014 /nfs/dbraw/zinc/08/60/14/758086014.db2.gz JLRFOVQPSIBZAT-IKGGRYGDSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941525 758086263 /nfs/dbraw/zinc/08/62/63/758086263.db2.gz NTBQUPAGCILQQE-SQNIBIBYSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953390 758093863 /nfs/dbraw/zinc/09/38/63/758093863.db2.gz IXVQWWIKYUTZCP-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953390 758093874 /nfs/dbraw/zinc/09/38/74/758093874.db2.gz IXVQWWIKYUTZCP-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953390 758093884 /nfs/dbraw/zinc/09/38/84/758093884.db2.gz IXVQWWIKYUTZCP-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001017845788 758292185 /nfs/dbraw/zinc/29/21/85/758292185.db2.gz FOTGXPODGHQWJT-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001017845788 758292191 /nfs/dbraw/zinc/29/21/91/758292191.db2.gz FOTGXPODGHQWJT-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001017845788 758292196 /nfs/dbraw/zinc/29/21/96/758292196.db2.gz FOTGXPODGHQWJT-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001017845788 758292202 /nfs/dbraw/zinc/29/22/02/758292202.db2.gz FOTGXPODGHQWJT-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001017945092 758413691 /nfs/dbraw/zinc/41/36/91/758413691.db2.gz OVGXJCNXZRVGTG-NCOADZHNSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001017945092 758413694 /nfs/dbraw/zinc/41/36/94/758413694.db2.gz OVGXJCNXZRVGTG-NCOADZHNSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC001017945092 758413698 /nfs/dbraw/zinc/41/36/98/758413698.db2.gz OVGXJCNXZRVGTG-NCOADZHNSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054100015 759163058 /nfs/dbraw/zinc/16/30/58/759163058.db2.gz UQAJWDDXTQFRDH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054100015 759163061 /nfs/dbraw/zinc/16/30/61/759163061.db2.gz UQAJWDDXTQFRDH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054100015 759163066 /nfs/dbraw/zinc/16/30/66/759163066.db2.gz UQAJWDDXTQFRDH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054133642 759208198 /nfs/dbraw/zinc/20/81/98/759208198.db2.gz IFXFHYOOUCMTFK-PKOBYXMFSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085352591 759284421 /nfs/dbraw/zinc/28/44/21/759284421.db2.gz OEJAWXOBGTVJSX-BRWVUGGUSA-N 2 1 305.466 1.900 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761196 767900512 /nfs/dbraw/zinc/90/05/12/767900512.db2.gz RLNXMULJAKCQTM-SFHVURJKSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001085638800 759910758 /nfs/dbraw/zinc/91/07/58/759910758.db2.gz AJUUQKYIEXYVAM-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001085638800 759910763 /nfs/dbraw/zinc/91/07/63/759910763.db2.gz AJUUQKYIEXYVAM-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001085638800 759910764 /nfs/dbraw/zinc/91/07/64/759910764.db2.gz AJUUQKYIEXYVAM-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085671322 759979919 /nfs/dbraw/zinc/97/99/19/759979919.db2.gz UTTIDHBDQMJPFB-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085671322 759979922 /nfs/dbraw/zinc/97/99/22/759979922.db2.gz UTTIDHBDQMJPFB-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671322 759979925 /nfs/dbraw/zinc/97/99/25/759979925.db2.gz UTTIDHBDQMJPFB-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671322 759979931 /nfs/dbraw/zinc/97/99/31/759979931.db2.gz UTTIDHBDQMJPFB-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086106617 760991592 /nfs/dbraw/zinc/99/15/92/760991592.db2.gz RMOAKIPIPIEELW-HLLBOEOZSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000198007 761569738 /nfs/dbraw/zinc/56/97/38/761569738.db2.gz JWMSYFHJRDVJEU-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001039014932 761649361 /nfs/dbraw/zinc/64/93/61/761649361.db2.gz GVLPYZRTWAQEEB-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001039014932 761649364 /nfs/dbraw/zinc/64/93/64/761649364.db2.gz GVLPYZRTWAQEEB-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001039014932 761649368 /nfs/dbraw/zinc/64/93/68/761649368.db2.gz GVLPYZRTWAQEEB-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001039014932 761649371 /nfs/dbraw/zinc/64/93/71/761649371.db2.gz GVLPYZRTWAQEEB-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039135272 761769020 /nfs/dbraw/zinc/76/90/20/761769020.db2.gz ZKMBYWXZXDRNBP-MSOLQXFVSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159659 761786679 /nfs/dbraw/zinc/78/66/79/761786679.db2.gz UDZZVUNDFVMFEQ-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848195 762704342 /nfs/dbraw/zinc/70/43/42/762704342.db2.gz FUIMRWCWKVRYAB-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001367738 762795139 /nfs/dbraw/zinc/79/51/39/762795139.db2.gz CJUHAYMIQYJQGU-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725589 762885659 /nfs/dbraw/zinc/88/56/59/762885659.db2.gz GKWDEROUAQOAMG-XHSDSOJGSA-N 2 1 300.406 1.184 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCC)CC2)CC1 ZINC001001472799 762894875 /nfs/dbraw/zinc/89/48/75/762894875.db2.gz VZBKPRHWGMISOY-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339427 762966421 /nfs/dbraw/zinc/96/64/21/762966421.db2.gz OACQONQLDARPOF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339427 762966423 /nfs/dbraw/zinc/96/64/23/762966423.db2.gz OACQONQLDARPOF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339427 762966426 /nfs/dbraw/zinc/96/64/26/762966426.db2.gz OACQONQLDARPOF-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109361480 763603828 /nfs/dbraw/zinc/60/38/28/763603828.db2.gz XXMQTUUBLMTTJC-WCVJEAGWSA-N 2 1 309.429 1.411 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109418780 763677805 /nfs/dbraw/zinc/67/78/05/763677805.db2.gz BSXONLVCDXBMOF-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109418780 763677813 /nfs/dbraw/zinc/67/78/13/763677813.db2.gz BSXONLVCDXBMOF-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109418780 763677821 /nfs/dbraw/zinc/67/78/21/763677821.db2.gz BSXONLVCDXBMOF-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042357022 763960424 /nfs/dbraw/zinc/96/04/24/763960424.db2.gz WLSHRNMRMUMERD-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042357022 763960431 /nfs/dbraw/zinc/96/04/31/763960431.db2.gz WLSHRNMRMUMERD-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042368121 763971239 /nfs/dbraw/zinc/97/12/39/763971239.db2.gz OBRBRHQVAKDYOY-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001110014783 764296538 /nfs/dbraw/zinc/29/65/38/764296538.db2.gz INIZQULYMWCNCA-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001110014783 764296540 /nfs/dbraw/zinc/29/65/40/764296540.db2.gz INIZQULYMWCNCA-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001110014783 764296544 /nfs/dbraw/zinc/29/65/44/764296544.db2.gz INIZQULYMWCNCA-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001110014783 764296547 /nfs/dbraw/zinc/29/65/47/764296547.db2.gz INIZQULYMWCNCA-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110017774 764301753 /nfs/dbraw/zinc/30/17/53/764301753.db2.gz MIISTOWDQMAIQU-IKGGRYGDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110017774 764301759 /nfs/dbraw/zinc/30/17/59/764301759.db2.gz MIISTOWDQMAIQU-IKGGRYGDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110017774 764301768 /nfs/dbraw/zinc/30/17/68/764301768.db2.gz MIISTOWDQMAIQU-IKGGRYGDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855398 764881929 /nfs/dbraw/zinc/88/19/29/764881929.db2.gz UXAYMVBCPNFADL-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001112855398 764881935 /nfs/dbraw/zinc/88/19/35/764881935.db2.gz UXAYMVBCPNFADL-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001044166401 765359341 /nfs/dbraw/zinc/35/93/41/765359341.db2.gz RWLGWRAIEYJJCE-UHFFFAOYSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052377094 765771482 /nfs/dbraw/zinc/77/14/82/765771482.db2.gz NCWAFFOFJDRABW-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447886 765839488 /nfs/dbraw/zinc/83/94/88/765839488.db2.gz OFPMHYYFDSMSIJ-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447886 765839497 /nfs/dbraw/zinc/83/94/97/765839497.db2.gz OFPMHYYFDSMSIJ-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467813 765921010 /nfs/dbraw/zinc/92/10/10/765921010.db2.gz WTKQASAQUCCSDR-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658408 766045823 /nfs/dbraw/zinc/04/58/23/766045823.db2.gz NAGUDDNQNUBPRJ-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658408 766045830 /nfs/dbraw/zinc/04/58/30/766045830.db2.gz NAGUDDNQNUBPRJ-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658408 766045835 /nfs/dbraw/zinc/04/58/35/766045835.db2.gz NAGUDDNQNUBPRJ-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096010758 766119271 /nfs/dbraw/zinc/11/92/71/766119271.db2.gz XSSZLYIYVZQMNK-JHNDHUHGSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096010758 766119275 /nfs/dbraw/zinc/11/92/75/766119275.db2.gz XSSZLYIYVZQMNK-JHNDHUHGSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046037946 766843600 /nfs/dbraw/zinc/84/36/00/766843600.db2.gz CNOVOLBMZAURDO-DLBZAZTESA-N 2 1 322.497 1.121 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001098471391 767046912 /nfs/dbraw/zinc/04/69/12/767046912.db2.gz CFRBKUXVSITBBT-MRXNPFEDSA-N 2 1 311.470 1.044 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105924 768632539 /nfs/dbraw/zinc/63/25/39/768632539.db2.gz OLVVPBGARLBANK-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105924 768632546 /nfs/dbraw/zinc/63/25/46/768632546.db2.gz OLVVPBGARLBANK-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517802 768931357 /nfs/dbraw/zinc/93/13/57/768931357.db2.gz GXAQCVCLMIUNAC-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241386 769180931 /nfs/dbraw/zinc/18/09/31/769180931.db2.gz TWVJKCBRXJCVQH-RHSMWYFYSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241386 769180939 /nfs/dbraw/zinc/18/09/39/769180939.db2.gz TWVJKCBRXJCVQH-RHSMWYFYSA-N 2 1 318.421 1.069 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071644955 769782345 /nfs/dbraw/zinc/78/23/45/769782345.db2.gz DXWXWRSFLHKXCW-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071644955 769782350 /nfs/dbraw/zinc/78/23/50/769782350.db2.gz DXWXWRSFLHKXCW-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(CC)CCO1 ZINC001158900868 770013169 /nfs/dbraw/zinc/01/31/69/770013169.db2.gz MINSEGZOAIXRIU-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001158900868 770013183 /nfs/dbraw/zinc/01/31/83/770013183.db2.gz MINSEGZOAIXRIU-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001158900868 770013197 /nfs/dbraw/zinc/01/31/97/770013197.db2.gz MINSEGZOAIXRIU-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158900868 770013199 /nfs/dbraw/zinc/01/31/99/770013199.db2.gz MINSEGZOAIXRIU-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158900868 770013213 /nfs/dbraw/zinc/01/32/13/770013213.db2.gz MINSEGZOAIXRIU-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873102 770206584 /nfs/dbraw/zinc/20/65/84/770206584.db2.gz RIWKZLIJMRNROK-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001426 770232839 /nfs/dbraw/zinc/23/28/39/770232839.db2.gz UPHBRQXQZYQIAN-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001426 770232841 /nfs/dbraw/zinc/23/28/41/770232841.db2.gz UPHBRQXQZYQIAN-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001426 770232843 /nfs/dbraw/zinc/23/28/43/770232843.db2.gz UPHBRQXQZYQIAN-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001133866044 770382937 /nfs/dbraw/zinc/38/29/37/770382937.db2.gz GUPHAONWSPZHTO-SWLSCSKDSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(C)C)C[C@@H]3C2)CC1 ZINC001049235757 770583080 /nfs/dbraw/zinc/58/30/80/770583080.db2.gz UNKSPAQHZQOGAK-HDICACEKSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001049767553 771145379 /nfs/dbraw/zinc/14/53/79/771145379.db2.gz POGXTZQXSSPZDC-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767553 771145382 /nfs/dbraw/zinc/14/53/82/771145382.db2.gz POGXTZQXSSPZDC-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001049767553 771145384 /nfs/dbraw/zinc/14/53/84/771145384.db2.gz POGXTZQXSSPZDC-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773318 771168478 /nfs/dbraw/zinc/16/84/78/771168478.db2.gz NORWUGQEXODZIP-GJZGRUSLSA-N 2 1 313.486 1.792 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049840075 771198203 /nfs/dbraw/zinc/19/82/03/771198203.db2.gz MDJOHKIQLMNPLZ-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049840075 771198206 /nfs/dbraw/zinc/19/82/06/771198206.db2.gz MDJOHKIQLMNPLZ-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049840075 771198208 /nfs/dbraw/zinc/19/82/08/771198208.db2.gz MDJOHKIQLMNPLZ-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001096610739 771303274 /nfs/dbraw/zinc/30/32/74/771303274.db2.gz DBDAYXFMTVIDRE-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001096610739 771303278 /nfs/dbraw/zinc/30/32/78/771303278.db2.gz DBDAYXFMTVIDRE-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096610739 771303284 /nfs/dbraw/zinc/30/32/84/771303284.db2.gz DBDAYXFMTVIDRE-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001096610739 771303290 /nfs/dbraw/zinc/30/32/90/771303290.db2.gz DBDAYXFMTVIDRE-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135693116 771658056 /nfs/dbraw/zinc/65/80/56/771658056.db2.gz XMXZVCDVNPIKAN-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147212055 773070270 /nfs/dbraw/zinc/07/02/70/773070270.db2.gz MFPHECJKJDOPFN-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212055 773070272 /nfs/dbraw/zinc/07/02/72/773070272.db2.gz MFPHECJKJDOPFN-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147212055 773070277 /nfs/dbraw/zinc/07/02/77/773070277.db2.gz MFPHECJKJDOPFN-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661591 773274684 /nfs/dbraw/zinc/27/46/84/773274684.db2.gz AUGWZIURSNROKR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661591 773274690 /nfs/dbraw/zinc/27/46/90/773274690.db2.gz AUGWZIURSNROKR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661591 773274697 /nfs/dbraw/zinc/27/46/97/773274697.db2.gz AUGWZIURSNROKR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001148571055 773526888 /nfs/dbraw/zinc/52/68/88/773526888.db2.gz UJDBOZUYMWNSBD-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086880411 773685547 /nfs/dbraw/zinc/68/55/47/773685547.db2.gz YJGCMHVTVPTIEO-ARFHVFGLSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880411 773685548 /nfs/dbraw/zinc/68/55/48/773685548.db2.gz YJGCMHVTVPTIEO-ARFHVFGLSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091787701 773805788 /nfs/dbraw/zinc/80/57/88/773805788.db2.gz JNWLWLOEYQZWBS-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787701 773805794 /nfs/dbraw/zinc/80/57/94/773805794.db2.gz JNWLWLOEYQZWBS-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787701 773805799 /nfs/dbraw/zinc/80/57/99/773805799.db2.gz JNWLWLOEYQZWBS-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCF)C[C@@]3(C)C2)CC1 ZINC001092300232 774051976 /nfs/dbraw/zinc/05/19/76/774051976.db2.gz SISYMSZZJNHFKK-AEFFLSMTSA-N 2 1 321.440 1.081 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709468 774077547 /nfs/dbraw/zinc/07/75/47/774077547.db2.gz DJSNVXPDCRXBBC-ZOBORPQBSA-N 2 1 315.845 1.037 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001074709468 774077550 /nfs/dbraw/zinc/07/75/50/774077550.db2.gz DJSNVXPDCRXBBC-ZOBORPQBSA-N 2 1 315.845 1.037 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093097864 774389344 /nfs/dbraw/zinc/38/93/44/774389344.db2.gz KGXPUYOPWHZJLV-SJLPKXTDSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762859 774516823 /nfs/dbraw/zinc/51/68/23/774516823.db2.gz QKJNJGARDOHQFE-DOTOQJQBSA-N 2 1 308.385 1.504 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773967 774569295 /nfs/dbraw/zinc/56/92/95/774569295.db2.gz WPPPZHCHGCRQOG-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773967 774569300 /nfs/dbraw/zinc/56/93/00/774569300.db2.gz WPPPZHCHGCRQOG-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099240234 774913034 /nfs/dbraw/zinc/91/30/34/774913034.db2.gz PCKJHFAKMFSLGU-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240234 774913036 /nfs/dbraw/zinc/91/30/36/774913036.db2.gz PCKJHFAKMFSLGU-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240234 774913040 /nfs/dbraw/zinc/91/30/40/774913040.db2.gz PCKJHFAKMFSLGU-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036855547 774966617 /nfs/dbraw/zinc/96/66/17/774966617.db2.gz CUQNYSHHRPSQAM-DOTOQJQBSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099518966 775014829 /nfs/dbraw/zinc/01/48/29/775014829.db2.gz DAZGHMCWFXYNKT-YVSFHVDLSA-N 2 1 315.461 1.130 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521426 775015550 /nfs/dbraw/zinc/01/55/50/775015550.db2.gz RBXNWNRBPSWXJU-NXOAAHMSSA-N 2 1 317.477 1.683 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCCC[NH+](C)C)C1 ZINC001099548020 775024717 /nfs/dbraw/zinc/02/47/17/775024717.db2.gz PDSLDRBQTLVPTA-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100406918 776110533 /nfs/dbraw/zinc/11/05/33/776110533.db2.gz RBLKMEZRENEYSW-OFLPRAFFSA-N 2 1 305.466 1.757 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679968 776432446 /nfs/dbraw/zinc/43/24/46/776432446.db2.gz XZYICVKZYTYDLV-JTTJXQCZSA-N 2 1 323.456 1.707 20 30 DDEDMP C#CCCN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1=O ZINC001172114796 776651913 /nfs/dbraw/zinc/65/19/13/776651913.db2.gz QNZPXNFISWPDHY-YYIAUSFCSA-N 2 1 303.450 1.606 20 30 DDEDMP C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001172317033 776747467 /nfs/dbraw/zinc/74/74/67/776747467.db2.gz ADZDIQUWNUXDFA-MRXNPFEDSA-N 2 1 300.450 1.668 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362784 777097381 /nfs/dbraw/zinc/09/73/81/777097381.db2.gz DEMNOAQJAZUUGG-LMMKCTJWSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001150318576 777403972 /nfs/dbraw/zinc/40/39/72/777403972.db2.gz RTFRFMXJLROCSR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150318576 777403974 /nfs/dbraw/zinc/40/39/74/777403974.db2.gz RTFRFMXJLROCSR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001150318576 777403976 /nfs/dbraw/zinc/40/39/76/777403976.db2.gz RTFRFMXJLROCSR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974757 777753822 /nfs/dbraw/zinc/75/38/22/777753822.db2.gz OWTSEGCCJYZNFK-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102049959 777835302 /nfs/dbraw/zinc/83/53/02/777835302.db2.gz MKCUAIODMYYJDY-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102049959 777835310 /nfs/dbraw/zinc/83/53/10/777835310.db2.gz MKCUAIODMYYJDY-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102049959 777835316 /nfs/dbraw/zinc/83/53/16/777835316.db2.gz MKCUAIODMYYJDY-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051928 777836952 /nfs/dbraw/zinc/83/69/52/777836952.db2.gz UDKXFCCLZHFDCA-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051928 777836962 /nfs/dbraw/zinc/83/69/62/777836962.db2.gz UDKXFCCLZHFDCA-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051928 777836971 /nfs/dbraw/zinc/83/69/71/777836971.db2.gz UDKXFCCLZHFDCA-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CCc1cnc[nH]1 ZINC001177340052 778546509 /nfs/dbraw/zinc/54/65/09/778546509.db2.gz YQSWPOORHRRFGC-UHFFFAOYSA-N 2 1 316.449 1.974 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753429 779030334 /nfs/dbraw/zinc/03/03/34/779030334.db2.gz INSPOJRYCIQKKZ-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178536236 779084181 /nfs/dbraw/zinc/08/41/81/779084181.db2.gz RSCOGAOJHQDTSJ-HZPDHXFCSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001178693054 779144493 /nfs/dbraw/zinc/14/44/93/779144493.db2.gz IYNHSGPQJJFPOV-INIZCTEOSA-N 2 1 321.469 1.266 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1C ZINC001179409151 779376929 /nfs/dbraw/zinc/37/69/29/779376929.db2.gz HLXKDIQCRXDNLJ-QAETUUGQSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179420477 779378539 /nfs/dbraw/zinc/37/85/39/779378539.db2.gz KURUEKXROPRLFK-QRTARXTBSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115579183 780247977 /nfs/dbraw/zinc/24/79/77/780247977.db2.gz AMPPRAFUHPKQDK-MRXNPFEDSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001119298907 781398369 /nfs/dbraw/zinc/39/83/69/781398369.db2.gz HLCZBEOQCPCNOX-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001119298907 781398376 /nfs/dbraw/zinc/39/83/76/781398376.db2.gz HLCZBEOQCPCNOX-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C=CCN1CCC[C@@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001266252121 835990285 /nfs/dbraw/zinc/99/02/85/835990285.db2.gz NGODFUHMYVJKRP-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266358838 836169068 /nfs/dbraw/zinc/16/90/68/836169068.db2.gz HPIBBTUWTSFMJB-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266358838 836169072 /nfs/dbraw/zinc/16/90/72/836169072.db2.gz HPIBBTUWTSFMJB-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001266496052 836348580 /nfs/dbraw/zinc/34/85/80/836348580.db2.gz ZRXSCIANKBMNFV-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001266496052 836348586 /nfs/dbraw/zinc/34/85/86/836348586.db2.gz ZRXSCIANKBMNFV-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001266619419 836546775 /nfs/dbraw/zinc/54/67/75/836546775.db2.gz LZWSBRCPCHOUBS-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001266619419 836546785 /nfs/dbraw/zinc/54/67/85/836546785.db2.gz LZWSBRCPCHOUBS-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001266619419 836546794 /nfs/dbraw/zinc/54/67/94/836546794.db2.gz LZWSBRCPCHOUBS-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1C[NH+](CC)CCO1)C1CC1 ZINC001266619419 836546801 /nfs/dbraw/zinc/54/68/01/836546801.db2.gz LZWSBRCPCHOUBS-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001266870412 836974382 /nfs/dbraw/zinc/97/43/82/836974382.db2.gz JMQWWNYWRNLQHA-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP COCC#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001267341144 837864111 /nfs/dbraw/zinc/86/41/11/837864111.db2.gz VJXFQSXHRBUJPW-UHFFFAOYSA-N 2 1 320.437 1.058 20 30 DDEDMP COCC#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001267341144 837864122 /nfs/dbraw/zinc/86/41/22/837864122.db2.gz VJXFQSXHRBUJPW-UHFFFAOYSA-N 2 1 320.437 1.058 20 30 DDEDMP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456415 838083156 /nfs/dbraw/zinc/08/31/56/838083156.db2.gz WPHSFWDVFAHIBO-HNNXBMFYSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267570670 838329699 /nfs/dbraw/zinc/32/96/99/838329699.db2.gz DCRIJPCCRNAORY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267570670 838329700 /nfs/dbraw/zinc/32/97/00/838329700.db2.gz DCRIJPCCRNAORY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267570670 838329707 /nfs/dbraw/zinc/32/97/07/838329707.db2.gz DCRIJPCCRNAORY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267570670 838329712 /nfs/dbraw/zinc/32/97/12/838329712.db2.gz DCRIJPCCRNAORY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267585097 838368258 /nfs/dbraw/zinc/36/82/58/838368258.db2.gz OLQHHOFNEMZHDE-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267585097 838368263 /nfs/dbraw/zinc/36/82/63/838368263.db2.gz OLQHHOFNEMZHDE-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267585097 838368266 /nfs/dbraw/zinc/36/82/66/838368266.db2.gz OLQHHOFNEMZHDE-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267597425 838397328 /nfs/dbraw/zinc/39/73/28/838397328.db2.gz XINCUPXCNPVHDD-IAGOWNOFSA-N 2 1 323.481 1.311 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269115319 841225159 /nfs/dbraw/zinc/22/51/59/841225159.db2.gz IEKBXHPCPKUNJU-NVXWUHKLSA-N 2 1 316.449 1.814 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001269347648 841550078 /nfs/dbraw/zinc/55/00/78/841550078.db2.gz AWQHWUSSICNIOD-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001269347648 841550086 /nfs/dbraw/zinc/55/00/86/841550086.db2.gz AWQHWUSSICNIOD-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001271043619 843158582 /nfs/dbraw/zinc/15/85/82/843158582.db2.gz FEHNQRQFNGYPIG-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001271628123 843738684 /nfs/dbraw/zinc/73/86/84/843738684.db2.gz CTCJSJQSEIUENG-UONOGXRCSA-N 2 1 318.421 1.057 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001271639787 843749656 /nfs/dbraw/zinc/74/96/56/843749656.db2.gz MWRTWWLCSCSJLY-GOEBONIOSA-N 2 1 320.437 1.078 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001272225006 844771866 /nfs/dbraw/zinc/77/18/66/844771866.db2.gz OXYXKMQDDBOOCQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001328808919 863245595 /nfs/dbraw/zinc/24/55/95/863245595.db2.gz QYZURHXPOGOWAB-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](CC)OC)CCC1 ZINC001326834778 861644315 /nfs/dbraw/zinc/64/43/15/861644315.db2.gz NHRXJYHEGQKECV-CVEARBPZSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](CC)OC)CCC1 ZINC001326834778 861644318 /nfs/dbraw/zinc/64/43/18/861644318.db2.gz NHRXJYHEGQKECV-CVEARBPZSA-N 2 1 321.465 1.138 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000996992202 847098341 /nfs/dbraw/zinc/09/83/41/847098341.db2.gz NJOGFKJSPAMFGU-ZBFHGGJFSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000996992202 847098346 /nfs/dbraw/zinc/09/83/46/847098346.db2.gz NJOGFKJSPAMFGU-ZBFHGGJFSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254658 861896141 /nfs/dbraw/zinc/89/61/41/861896141.db2.gz DBNPKKUTSQEVFC-GXTWGEPZSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254658 861896164 /nfs/dbraw/zinc/89/61/64/861896164.db2.gz DBNPKKUTSQEVFC-GXTWGEPZSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155254658 861896184 /nfs/dbraw/zinc/89/61/84/861896184.db2.gz DBNPKKUTSQEVFC-GXTWGEPZSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155254658 861896206 /nfs/dbraw/zinc/89/62/06/861896206.db2.gz DBNPKKUTSQEVFC-GXTWGEPZSA-N 2 1 301.862 1.907 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001034365280 848421525 /nfs/dbraw/zinc/42/15/25/848421525.db2.gz ZIXGCVNANUZIHV-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365280 848421527 /nfs/dbraw/zinc/42/15/27/848421527.db2.gz ZIXGCVNANUZIHV-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365280 848421529 /nfs/dbraw/zinc/42/15/29/848421529.db2.gz ZIXGCVNANUZIHV-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365280 848421532 /nfs/dbraw/zinc/42/15/32/848421532.db2.gz ZIXGCVNANUZIHV-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365280 848421534 /nfs/dbraw/zinc/42/15/34/848421534.db2.gz ZIXGCVNANUZIHV-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001273143089 848548662 /nfs/dbraw/zinc/54/86/62/848548662.db2.gz BISUZCNZXOEZJH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001273143089 848548666 /nfs/dbraw/zinc/54/86/66/848548666.db2.gz BISUZCNZXOEZJH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001273143089 848548674 /nfs/dbraw/zinc/54/86/74/848548674.db2.gz BISUZCNZXOEZJH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001273143089 848548681 /nfs/dbraw/zinc/54/86/81/848548681.db2.gz BISUZCNZXOEZJH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001149841663 861934157 /nfs/dbraw/zinc/93/41/57/861934157.db2.gz ICTKXHKVMPCROC-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841663 861934163 /nfs/dbraw/zinc/93/41/63/861934163.db2.gz ICTKXHKVMPCROC-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001149841663 861934170 /nfs/dbraw/zinc/93/41/70/861934170.db2.gz ICTKXHKVMPCROC-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860413 861947570 /nfs/dbraw/zinc/94/75/70/861947570.db2.gz DDQLAUUITFLNMZ-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149860413 861947584 /nfs/dbraw/zinc/94/75/84/861947584.db2.gz DDQLAUUITFLNMZ-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001149860413 861947599 /nfs/dbraw/zinc/94/75/99/861947599.db2.gz DDQLAUUITFLNMZ-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149936348 861981191 /nfs/dbraw/zinc/98/11/91/861981191.db2.gz CNHYQJJNENBPBB-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936348 861981201 /nfs/dbraw/zinc/98/12/01/861981201.db2.gz CNHYQJJNENBPBB-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936348 861981209 /nfs/dbraw/zinc/98/12/09/861981209.db2.gz CNHYQJJNENBPBB-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001327360744 862103104 /nfs/dbraw/zinc/10/31/04/862103104.db2.gz YGVYQHLWXQZAMA-INIZCTEOSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001273530244 851063837 /nfs/dbraw/zinc/06/38/37/851063837.db2.gz ONABKKZBNKAOGB-KRWDZBQOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001273530244 851063845 /nfs/dbraw/zinc/06/38/45/851063845.db2.gz ONABKKZBNKAOGB-KRWDZBQOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001273530244 851063851 /nfs/dbraw/zinc/06/38/51/851063851.db2.gz ONABKKZBNKAOGB-KRWDZBQOSA-N 2 1 307.482 1.910 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001274445472 852277523 /nfs/dbraw/zinc/27/75/23/852277523.db2.gz IMMGPWSSDIGLSX-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001275024530 852756656 /nfs/dbraw/zinc/75/66/56/852756656.db2.gz HJFYRLPWJSMMBQ-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717570 862432582 /nfs/dbraw/zinc/43/25/82/862432582.db2.gz YVMUWLUBJWGUPO-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001275975075 854058710 /nfs/dbraw/zinc/05/87/10/854058710.db2.gz JMMDEDLTTMFBJT-KSZLIROESA-N 2 1 315.461 1.559 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC001276243056 855035944 /nfs/dbraw/zinc/03/59/44/855035944.db2.gz WLHGVBQZDCKMMX-WBVHZDCISA-N 2 1 316.424 1.765 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115461777 855197194 /nfs/dbraw/zinc/19/71/94/855197194.db2.gz BXXWBNILGMGCQQ-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115461777 855197198 /nfs/dbraw/zinc/19/71/98/855197198.db2.gz BXXWBNILGMGCQQ-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC001049595903 857034911 /nfs/dbraw/zinc/03/49/11/857034911.db2.gz UPHXPKIXAYOJQC-IRXDYDNUSA-N 2 1 308.385 1.646 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049597084 857037017 /nfs/dbraw/zinc/03/70/17/857037017.db2.gz ZTUSHJBKFFNVID-JKSUJKDBSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049597084 857037027 /nfs/dbraw/zinc/03/70/27/857037027.db2.gz ZTUSHJBKFFNVID-JKSUJKDBSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001072754918 857671974 /nfs/dbraw/zinc/67/19/74/857671974.db2.gz KJXGMVLBCYNDPJ-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072754918 857671978 /nfs/dbraw/zinc/67/19/78/857671978.db2.gz KJXGMVLBCYNDPJ-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072754918 857671981 /nfs/dbraw/zinc/67/19/81/857671981.db2.gz KJXGMVLBCYNDPJ-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC001073048829 858046701 /nfs/dbraw/zinc/04/67/01/858046701.db2.gz KKHZHGZDUSLSGO-CQSZACIVSA-N 2 1 300.406 1.146 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073048829 858046712 /nfs/dbraw/zinc/04/67/12/858046712.db2.gz KKHZHGZDUSLSGO-CQSZACIVSA-N 2 1 300.406 1.146 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073048829 858046723 /nfs/dbraw/zinc/04/67/23/858046723.db2.gz KKHZHGZDUSLSGO-CQSZACIVSA-N 2 1 300.406 1.146 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050255 858048319 /nfs/dbraw/zinc/04/83/19/858048319.db2.gz QQMWTJYMQZCZMA-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050255 858048327 /nfs/dbraw/zinc/04/83/27/858048327.db2.gz QQMWTJYMQZCZMA-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050255 858048336 /nfs/dbraw/zinc/04/83/36/858048336.db2.gz QQMWTJYMQZCZMA-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546366 881442449 /nfs/dbraw/zinc/44/24/49/881442449.db2.gz LWVWLZWXMHSJQP-DOTOQJQBSA-N 2 1 323.481 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001328808919 863245570 /nfs/dbraw/zinc/24/55/70/863245570.db2.gz QYZURHXPOGOWAB-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001328808919 863245583 /nfs/dbraw/zinc/24/55/83/863245583.db2.gz QYZURHXPOGOWAB-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[NH2+]CC1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001328880051 863307023 /nfs/dbraw/zinc/30/70/23/863307023.db2.gz UJMAZVZAJZSUIW-UHFFFAOYSA-N 2 1 306.410 1.410 20 30 DDEDMP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001329151463 863504726 /nfs/dbraw/zinc/50/47/26/863504726.db2.gz OLNWMKLLAQGMGJ-ZIAGYGMSSA-N 2 1 311.389 1.387 20 30 DDEDMP C=C(Cl)CN1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225088011 881675777 /nfs/dbraw/zinc/67/57/77/881675777.db2.gz UNBCGVZAHFRWTF-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225088011 881675786 /nfs/dbraw/zinc/67/57/86/881675786.db2.gz UNBCGVZAHFRWTF-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225088011 881675792 /nfs/dbraw/zinc/67/57/92/881675792.db2.gz UNBCGVZAHFRWTF-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001329623158 863757023 /nfs/dbraw/zinc/75/70/23/863757023.db2.gz IVZIHURJCRFKCS-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001329748923 863828364 /nfs/dbraw/zinc/82/83/64/863828364.db2.gz CNIPIEAURCTYLE-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001330295523 864221222 /nfs/dbraw/zinc/22/12/22/864221222.db2.gz GNEKKZKYROZUJG-PHZGNYQRSA-N 2 1 303.450 1.178 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001381433347 881752822 /nfs/dbraw/zinc/75/28/22/881752822.db2.gz CHRKDNKTFHPNIK-HUUCEWRRSA-N 2 1 316.449 1.883 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001319851574 866343038 /nfs/dbraw/zinc/34/30/38/866343038.db2.gz WTJMGZJZTLIOHT-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]C/C=C/CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001321251572 867437780 /nfs/dbraw/zinc/43/77/80/867437780.db2.gz RRMCZLPCGXGHLS-SNAWJCMRSA-N 2 1 316.405 1.169 20 30 DDEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001162747546 867799266 /nfs/dbraw/zinc/79/92/66/867799266.db2.gz YUYQALSVCZAIBP-SFHVURJKSA-N 2 1 315.461 1.928 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317062284 870186043 /nfs/dbraw/zinc/18/60/43/870186043.db2.gz FZEKBOZCVCOJBB-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC1CCC1 ZINC001317541358 871031228 /nfs/dbraw/zinc/03/12/28/871031228.db2.gz VSOXAILMZAEPGH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC1CCC1 ZINC001317541358 871031245 /nfs/dbraw/zinc/03/12/45/871031245.db2.gz VSOXAILMZAEPGH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1CCC1 ZINC001317541358 871031264 /nfs/dbraw/zinc/03/12/64/871031264.db2.gz VSOXAILMZAEPGH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1CCC1 ZINC001317541358 871031283 /nfs/dbraw/zinc/03/12/83/871031283.db2.gz VSOXAILMZAEPGH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC=C ZINC001226860945 882692643 /nfs/dbraw/zinc/69/26/43/882692643.db2.gz VNHSAOWELAGYHP-ZACQAIPSSA-N 2 1 303.450 1.677 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC=C ZINC001226860945 882692651 /nfs/dbraw/zinc/69/26/51/882692651.db2.gz VNHSAOWELAGYHP-ZACQAIPSSA-N 2 1 303.450 1.677 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277284265 883398739 /nfs/dbraw/zinc/39/87/39/883398739.db2.gz JKJZMCZMWLTESF-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001346252082 873669347 /nfs/dbraw/zinc/66/93/47/873669347.db2.gz REFROSBACRVFRO-QGZVFWFLSA-N 2 1 317.389 1.706 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276586079 874450380 /nfs/dbraw/zinc/45/03/80/874450380.db2.gz BKNJWLKCNZWLAK-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209276638 874772261 /nfs/dbraw/zinc/77/22/61/874772261.db2.gz AMEZFYBHELTUCR-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](OC)C1 ZINC001213781624 876055244 /nfs/dbraw/zinc/05/52/44/876055244.db2.gz SZYYAWGBEZWMQX-DAXOMENPSA-N 2 1 320.437 1.431 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974191 876118926 /nfs/dbraw/zinc/11/89/26/876118926.db2.gz LSSUFRHOCJSVIL-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001227454818 883028412 /nfs/dbraw/zinc/02/84/12/883028412.db2.gz VKTCNJGBSLPWBI-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218813843 877742702 /nfs/dbraw/zinc/74/27/02/877742702.db2.gz GILOFBVLTWHFRE-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001220868600 879331118 /nfs/dbraw/zinc/33/11/18/879331118.db2.gz LSOUFXMIXUWYBV-GOEBONIOSA-N 2 1 303.406 1.029 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001221883426 880132025 /nfs/dbraw/zinc/13/20/25/880132025.db2.gz FAYZBANMFOLOPN-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387264 880942686 /nfs/dbraw/zinc/94/26/86/880942686.db2.gz CSGYEYXJSHVTSA-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001224254511 881294676 /nfs/dbraw/zinc/29/46/76/881294676.db2.gz VXMQTHSEFQRLGW-UHFFFAOYSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215371 884378584 /nfs/dbraw/zinc/37/85/84/884378584.db2.gz OCUWFEGIWMOXCQ-ZACQAIPSSA-N 2 1 323.481 1.690 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215371 884378599 /nfs/dbraw/zinc/37/85/99/884378599.db2.gz OCUWFEGIWMOXCQ-ZACQAIPSSA-N 2 1 323.481 1.690 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230783432 884870634 /nfs/dbraw/zinc/87/06/34/884870634.db2.gz JALCJJLHWFEIKE-QGZVFWFLSA-N 2 1 316.449 1.363 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230783432 884870650 /nfs/dbraw/zinc/87/06/50/884870650.db2.gz JALCJJLHWFEIKE-QGZVFWFLSA-N 2 1 316.449 1.363 20 30 DDEDMP C=C(C)COc1ccccc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234985843 888301986 /nfs/dbraw/zinc/30/19/86/888301986.db2.gz GGNJHYMBXSILCN-GOSISDBHSA-N 2 1 301.434 1.779 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001281682281 888521847 /nfs/dbraw/zinc/52/18/47/888521847.db2.gz HRZNIBLWCZKEJJ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH2+]CCN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001236234711 889150240 /nfs/dbraw/zinc/15/02/40/889150240.db2.gz QOKQGLFQGWZHEO-SFHVURJKSA-N 2 1 303.450 1.595 20 30 DDEDMP C=CC[NH2+]CCN(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001236234711 889150251 /nfs/dbraw/zinc/15/02/51/889150251.db2.gz QOKQGLFQGWZHEO-SFHVURJKSA-N 2 1 303.450 1.595 20 30 DDEDMP C[N@H+]1CCC[C@@H](CN2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146720 889848796 /nfs/dbraw/zinc/84/87/96/889848796.db2.gz GVMLYSOJJLOVRP-CABCVRRESA-N 2 1 316.449 1.213 20 30 DDEDMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146720 889848802 /nfs/dbraw/zinc/84/88/02/889848802.db2.gz GVMLYSOJJLOVRP-CABCVRRESA-N 2 1 316.449 1.213 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C[C@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146720 889848809 /nfs/dbraw/zinc/84/88/09/889848809.db2.gz GVMLYSOJJLOVRP-CABCVRRESA-N 2 1 316.449 1.213 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001278350556 891467264 /nfs/dbraw/zinc/46/72/64/891467264.db2.gz YFUNYSZZRLRLKP-KRWDZBQOSA-N 2 1 322.497 1.123 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001278350556 891467278 /nfs/dbraw/zinc/46/72/78/891467278.db2.gz YFUNYSZZRLRLKP-KRWDZBQOSA-N 2 1 322.497 1.123 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001278350556 891467295 /nfs/dbraw/zinc/46/72/95/891467295.db2.gz YFUNYSZZRLRLKP-KRWDZBQOSA-N 2 1 322.497 1.123 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001246304519 892528933 /nfs/dbraw/zinc/52/89/33/892528933.db2.gz NITXSDDZWXNEDI-KRWDZBQOSA-N 3 1 323.481 1.677 20 30 DDEDMP C#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001278636937 894799789 /nfs/dbraw/zinc/79/97/89/894799789.db2.gz OMEPKENCSFCFEI-IYBDPMFKSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cccc(C#N)c1 ZINC001367282800 896338510 /nfs/dbraw/zinc/33/85/10/896338510.db2.gz DFOCTESXSFQTRW-RHSMWYFYSA-N 2 1 314.433 1.352 20 30 DDEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001367373705 896590394 /nfs/dbraw/zinc/59/03/94/896590394.db2.gz IETCBXFPLCNZJP-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001390462080 899457907 /nfs/dbraw/zinc/45/79/07/899457907.db2.gz RCFGVNWRCPQNEY-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001264067726 900903930 /nfs/dbraw/zinc/90/39/30/900903930.db2.gz OSIXDXYMZKJLTG-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001264636157 901238415 /nfs/dbraw/zinc/23/84/15/901238415.db2.gz OQSVHWCFLNFTJJ-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001264636157 901238428 /nfs/dbraw/zinc/23/84/28/901238428.db2.gz OQSVHWCFLNFTJJ-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001264636157 901238443 /nfs/dbraw/zinc/23/84/43/901238443.db2.gz OQSVHWCFLNFTJJ-IRXDYDNUSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001279587892 903341610 /nfs/dbraw/zinc/34/16/10/903341610.db2.gz OQVSNUOWVWUOGF-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(C#N)ccc1F ZINC001371145694 904346535 /nfs/dbraw/zinc/34/65/35/904346535.db2.gz XLWQFUOSIVYIPE-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392550569 904436753 /nfs/dbraw/zinc/43/67/53/904436753.db2.gz RLAKPOCGXPAHLN-FZMZJTMJSA-N 2 1 306.435 1.308 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001281137013 904460101 /nfs/dbraw/zinc/46/01/01/904460101.db2.gz IBKAUUPLXUORPK-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392583710 904532168 /nfs/dbraw/zinc/53/21/68/904532168.db2.gz VLXZUHYSZXXRNK-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284618644 909264037 /nfs/dbraw/zinc/26/40/37/909264037.db2.gz MMLFPZRKVQHJSU-HUUCEWRRSA-N 2 1 311.470 1.404 20 30 DDEDMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001373828068 911127455 /nfs/dbraw/zinc/12/74/55/911127455.db2.gz BKBLOMNTZCOGQG-DLBZAZTESA-N 2 1 314.433 1.494 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CCc1ccccc1)N1CCOCC1 ZINC000079917690 353582634 /nfs/dbraw/zinc/58/26/34/353582634.db2.gz KZUDXLRVSQWNCD-QGZVFWFLSA-N 2 1 316.449 1.340 20 30 DDEDMP N#CCC[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000581721764 354736597 /nfs/dbraw/zinc/73/65/97/354736597.db2.gz NYRQJKGSVIABEA-UHFFFAOYSA-N 2 1 300.406 1.387 20 30 DDEDMP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593916352 356059257 /nfs/dbraw/zinc/05/92/57/356059257.db2.gz IWMUIHYRYLZFLO-DLBZAZTESA-N 2 1 314.433 1.393 20 30 DDEDMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593916352 356059263 /nfs/dbraw/zinc/05/92/63/356059263.db2.gz IWMUIHYRYLZFLO-DLBZAZTESA-N 2 1 314.433 1.393 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000629591935 422754350 /nfs/dbraw/zinc/75/43/50/422754350.db2.gz UZGUQARIMNJYMZ-QGZVFWFLSA-N 2 1 319.453 1.445 20 30 DDEDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000599320211 357892319 /nfs/dbraw/zinc/89/23/19/357892319.db2.gz RDPLSAITMRAQFA-IXDOHACOSA-N 2 1 321.465 1.474 20 30 DDEDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000599320211 357892321 /nfs/dbraw/zinc/89/23/21/357892321.db2.gz RDPLSAITMRAQFA-IXDOHACOSA-N 2 1 321.465 1.474 20 30 DDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000599320211 357892322 /nfs/dbraw/zinc/89/23/22/357892322.db2.gz RDPLSAITMRAQFA-IXDOHACOSA-N 2 1 321.465 1.474 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600720641 358294960 /nfs/dbraw/zinc/29/49/60/358294960.db2.gz ILKDTWFJUJNBCT-SJORKVTESA-N 2 1 323.481 1.768 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)CC1 ZINC000602878034 359261125 /nfs/dbraw/zinc/26/11/25/359261125.db2.gz OVVXIWDHBQICLR-MRXNPFEDSA-N 2 1 321.465 1.475 20 30 DDEDMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329899008 223044519 /nfs/dbraw/zinc/04/45/19/223044519.db2.gz FESUCUFHCMRIQK-CABCVRRESA-N 2 1 319.453 1.824 20 30 DDEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)C#N)C2)CC1 ZINC000611623938 360778089 /nfs/dbraw/zinc/77/80/89/360778089.db2.gz KULYPCAVERJPTD-CYBMUJFWSA-N 2 1 307.442 1.004 20 30 DDEDMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCC(C)(C)C#N)C2)CC1 ZINC000611623938 360778095 /nfs/dbraw/zinc/77/80/95/360778095.db2.gz KULYPCAVERJPTD-CYBMUJFWSA-N 2 1 307.442 1.004 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000106340804 194198114 /nfs/dbraw/zinc/19/81/14/194198114.db2.gz WPFVKDFELYWGDQ-UHFFFAOYSA-N 2 1 306.454 1.517 20 30 DDEDMP C=CC[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121269539 408173561 /nfs/dbraw/zinc/17/35/61/408173561.db2.gz UMLPEVGYFSDOBK-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121269539 408173568 /nfs/dbraw/zinc/17/35/68/408173568.db2.gz UMLPEVGYFSDOBK-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121269539 408173573 /nfs/dbraw/zinc/17/35/73/408173573.db2.gz UMLPEVGYFSDOBK-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121269539 408173580 /nfs/dbraw/zinc/17/35/80/408173580.db2.gz UMLPEVGYFSDOBK-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183139568 408335142 /nfs/dbraw/zinc/33/51/42/408335142.db2.gz DMMJXWXSUITOEH-UONOGXRCSA-N 2 1 310.401 1.969 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000293887553 409200896 /nfs/dbraw/zinc/20/08/96/409200896.db2.gz DEJRGLLQEQOLJS-UHFFFAOYSA-N 2 1 313.445 1.967 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000295032252 409308789 /nfs/dbraw/zinc/30/87/89/409308789.db2.gz OQIOTHCTRFFDOF-CYBMUJFWSA-N 2 1 301.390 1.623 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000295032252 409308792 /nfs/dbraw/zinc/30/87/92/409308792.db2.gz OQIOTHCTRFFDOF-CYBMUJFWSA-N 2 1 301.390 1.623 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000285226702 409405865 /nfs/dbraw/zinc/40/58/65/409405865.db2.gz XQZOEANNBVHZAA-HOTGVXAUSA-N 2 1 302.422 1.539 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000285226702 409405870 /nfs/dbraw/zinc/40/58/70/409405870.db2.gz XQZOEANNBVHZAA-HOTGVXAUSA-N 2 1 302.422 1.539 20 30 DDEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)C12CCC2 ZINC000304790425 409646374 /nfs/dbraw/zinc/64/63/74/409646374.db2.gz KIOQXNRNXYWYON-RBSFLKMASA-N 2 1 308.470 1.723 20 30 DDEDMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330267818 410604852 /nfs/dbraw/zinc/60/48/52/410604852.db2.gz QSWVGIFQUQTCGX-AWEZNQCLSA-N 2 1 308.426 1.620 20 30 DDEDMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330267818 410604858 /nfs/dbraw/zinc/60/48/58/410604858.db2.gz QSWVGIFQUQTCGX-AWEZNQCLSA-N 2 1 308.426 1.620 20 30 DDEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000049037097 418475793 /nfs/dbraw/zinc/47/57/93/418475793.db2.gz DBKJAXLCJUCMFZ-QGZVFWFLSA-N 2 1 304.434 1.839 20 30 DDEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000374166237 418499372 /nfs/dbraw/zinc/49/93/72/418499372.db2.gz VZWWOPCSRDRDTE-KRWDZBQOSA-N 2 1 318.465 1.603 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190527813 222083055 /nfs/dbraw/zinc/08/30/55/222083055.db2.gz AHWFUJCHTUXCGF-MRXNPFEDSA-N 2 1 302.422 1.368 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245926143 222219351 /nfs/dbraw/zinc/21/93/51/222219351.db2.gz UFJRNYRNDQYGAZ-CABCVRRESA-N 2 1 317.437 1.435 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245926143 222219352 /nfs/dbraw/zinc/21/93/52/222219352.db2.gz UFJRNYRNDQYGAZ-CABCVRRESA-N 2 1 317.437 1.435 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC=CCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261844027 222259437 /nfs/dbraw/zinc/25/94/37/222259437.db2.gz WRECSFSYDPGTNF-SJORKVTESA-N 2 1 320.481 1.572 20 30 DDEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCC(CC)(CC)C1 ZINC000261937764 222262084 /nfs/dbraw/zinc/26/20/84/222262084.db2.gz CWFXYSFTHVBXGL-INIZCTEOSA-N 2 1 323.529 1.710 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCCC2)O1 ZINC000262447511 222281230 /nfs/dbraw/zinc/28/12/30/222281230.db2.gz VLQOIGYSCYVALN-UONOGXRCSA-N 2 1 310.442 1.061 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000262513063 222284396 /nfs/dbraw/zinc/28/43/96/222284396.db2.gz DVZFWNPZOZBPRQ-KBUPBQIOSA-N 2 1 308.470 1.579 20 30 DDEDMP C=C(Br)CNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]C ZINC000262758283 222292352 /nfs/dbraw/zinc/29/23/52/222292352.db2.gz HXMSYILEVDUTET-SNVBAGLBSA-N 2 1 301.232 1.297 20 30 DDEDMP C=C(Br)CNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]C ZINC000262758283 222292353 /nfs/dbraw/zinc/29/23/53/222292353.db2.gz HXMSYILEVDUTET-SNVBAGLBSA-N 2 1 301.232 1.297 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CCOC)N1CCc2ccccc21 ZINC000263275336 222307482 /nfs/dbraw/zinc/30/74/82/222307482.db2.gz YEQRIHUGWSJMGZ-INIZCTEOSA-N 2 1 316.449 1.735 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1OC ZINC000264069244 222312596 /nfs/dbraw/zinc/31/25/96/222312596.db2.gz CSKBQSSTOQOIIC-HIFRSBDPSA-N 2 1 320.437 1.117 20 30 DDEDMP Cc1ccccc1OCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264069250 222313115 /nfs/dbraw/zinc/31/31/15/222313115.db2.gz CSNCGCOAZYRWIP-UHFFFAOYSA-N 2 1 320.437 1.000 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424192487 420312571 /nfs/dbraw/zinc/31/25/71/420312571.db2.gz PATRFMDGMIAEEH-QKPAOTATSA-N 2 1 306.454 1.871 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC000635531955 422083072 /nfs/dbraw/zinc/08/30/72/422083072.db2.gz XFHFWSLXOYMAGW-UHFFFAOYSA-N 2 1 315.461 1.928 20 30 DDEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000651710550 423653423 /nfs/dbraw/zinc/65/34/23/423653423.db2.gz GARHSMDVAIZNLX-FGTMMUONSA-N 2 1 307.482 1.727 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000458336006 526429523 /nfs/dbraw/zinc/42/95/23/526429523.db2.gz OXEQBVPLIJCLDH-SFHVURJKSA-N 2 1 320.481 1.764 20 30 DDEDMP C=CCOCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000339190295 526767463 /nfs/dbraw/zinc/76/74/63/526767463.db2.gz XQSKBPALPWCQAN-UHFFFAOYSA-N 2 1 317.477 1.939 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000491790472 526819340 /nfs/dbraw/zinc/81/93/40/526819340.db2.gz ZIPPUXRFZWDELH-HNNXBMFYSA-N 2 1 310.486 1.607 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980241518 696716715 /nfs/dbraw/zinc/71/67/15/696716715.db2.gz QZZNMIUXILLESV-HRCADAONSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980241518 696716716 /nfs/dbraw/zinc/71/67/16/696716716.db2.gz QZZNMIUXILLESV-HRCADAONSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000971922829 695123172 /nfs/dbraw/zinc/12/31/72/695123172.db2.gz QBYJHDCJGMWSKH-OAHLLOKOSA-N 2 1 311.389 1.600 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972623092 695301867 /nfs/dbraw/zinc/30/18/67/695301867.db2.gz QBKINRBVIZCMDP-INIZCTEOSA-N 2 1 309.373 1.047 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972623092 695301869 /nfs/dbraw/zinc/30/18/69/695301869.db2.gz QBKINRBVIZCMDP-INIZCTEOSA-N 2 1 309.373 1.047 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586158 695691000 /nfs/dbraw/zinc/69/10/00/695691000.db2.gz JJNVSUSLSUPFJU-JKSUJKDBSA-N 2 1 303.450 1.178 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C(C)(C)C1 ZINC000974695100 695713308 /nfs/dbraw/zinc/71/33/08/695713308.db2.gz VLPGIWQZJFETAF-UMVBOHGHSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978263439 696353993 /nfs/dbraw/zinc/35/39/93/696353993.db2.gz CQZHDIREQZYFLN-APIJFGDWSA-N 2 1 300.406 1.241 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978263439 696353994 /nfs/dbraw/zinc/35/39/94/696353994.db2.gz CQZHDIREQZYFLN-APIJFGDWSA-N 2 1 300.406 1.241 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981771998 696910373 /nfs/dbraw/zinc/91/03/73/696910373.db2.gz JAGSVGRPIPVZQH-QGZVFWFLSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000981820027 696929967 /nfs/dbraw/zinc/92/99/67/696929967.db2.gz HKURRPKXGDJZRX-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000981820027 696929969 /nfs/dbraw/zinc/92/99/69/696929969.db2.gz HKURRPKXGDJZRX-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820027 696929971 /nfs/dbraw/zinc/92/99/71/696929971.db2.gz HKURRPKXGDJZRX-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000981820027 696929975 /nfs/dbraw/zinc/92/99/75/696929975.db2.gz HKURRPKXGDJZRX-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981960426 696986785 /nfs/dbraw/zinc/98/67/85/696986785.db2.gz VPHHJCVYKCNZEC-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981960426 696986787 /nfs/dbraw/zinc/98/67/87/696986787.db2.gz VPHHJCVYKCNZEC-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981231403 697041540 /nfs/dbraw/zinc/04/15/40/697041540.db2.gz RKQSZPVJPJDIAX-HUUCEWRRSA-N 2 1 316.449 1.965 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553837 697149499 /nfs/dbraw/zinc/14/94/99/697149499.db2.gz QZNBIRZBNIZBEY-JFRXWTBNSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553837 697149500 /nfs/dbraw/zinc/14/95/00/697149500.db2.gz QZNBIRZBNIZBEY-JFRXWTBNSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553837 697149502 /nfs/dbraw/zinc/14/95/02/697149502.db2.gz QZNBIRZBNIZBEY-JFRXWTBNSA-N 2 1 317.477 1.378 20 30 DDEDMP CC[NH+]=C(NCC(C)(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179072589 697433657 /nfs/dbraw/zinc/43/36/57/697433657.db2.gz ONGPMHBZOQYBAA-OAHLLOKOSA-N 2 1 310.486 1.652 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000985438095 697511276 /nfs/dbraw/zinc/51/12/76/697511276.db2.gz KVDDYBBJEKAFFG-HNNXBMFYSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000985438095 697511278 /nfs/dbraw/zinc/51/12/78/697511278.db2.gz KVDDYBBJEKAFFG-HNNXBMFYSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000985498769 697520875 /nfs/dbraw/zinc/52/08/75/697520875.db2.gz JBSPIHTYBZBCDP-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262784235 698480196 /nfs/dbraw/zinc/48/01/96/698480196.db2.gz LZTWKFMVJSYWET-KPEUIFRASA-N 2 1 322.497 1.718 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1 ZINC000303888895 698610018 /nfs/dbraw/zinc/61/00/18/698610018.db2.gz LPKKIRMHQXEQIT-CQSZACIVSA-N 2 1 305.382 1.483 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1N(C)C ZINC000303903444 698610509 /nfs/dbraw/zinc/61/05/09/698610509.db2.gz UKYZRJCGIYYLPU-AWEZNQCLSA-N 2 1 304.442 1.036 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989452416 698627581 /nfs/dbraw/zinc/62/75/81/698627581.db2.gz YSSJXNHXRAGXSY-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H](OC)C1(CC)CC ZINC000305061227 698629530 /nfs/dbraw/zinc/62/95/30/698629530.db2.gz GFTJGSAOBDOZIC-KFWWJZLASA-N 2 1 310.486 1.969 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991857749 699425259 /nfs/dbraw/zinc/42/52/59/699425259.db2.gz FBEJDDVHDZWJTJ-WMZOPIPTSA-N 2 1 308.385 1.694 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730098214 699500991 /nfs/dbraw/zinc/50/09/91/699500991.db2.gz ZTEOBCVGZCEVRG-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730098214 699500992 /nfs/dbraw/zinc/50/09/92/699500992.db2.gz ZTEOBCVGZCEVRG-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000730278861 699505825 /nfs/dbraw/zinc/50/58/25/699505825.db2.gz FLIYXZOCOGVEND-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000730278861 699505827 /nfs/dbraw/zinc/50/58/27/699505827.db2.gz FLIYXZOCOGVEND-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702966 706769350 /nfs/dbraw/zinc/76/93/50/706769350.db2.gz FRHRWSASXCIAHF-LRDDRELGSA-N 2 1 310.442 1.084 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702966 706769353 /nfs/dbraw/zinc/76/93/53/706769353.db2.gz FRHRWSASXCIAHF-LRDDRELGSA-N 2 1 310.442 1.084 20 30 DDEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000857235014 704567841 /nfs/dbraw/zinc/56/78/41/704567841.db2.gz WTMIULMIHKIPCF-CVEARBPZSA-N 2 1 309.454 1.520 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000876715225 705834763 /nfs/dbraw/zinc/83/47/63/705834763.db2.gz IEQMUPSAGIBZHB-MRXNPFEDSA-N 2 1 321.852 1.843 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876730015 705844135 /nfs/dbraw/zinc/84/41/35/705844135.db2.gz AMDHLOXANIJASW-HZSPNIEDSA-N 2 1 317.861 1.462 20 30 DDEDMP CCCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876746850 705854863 /nfs/dbraw/zinc/85/48/63/705854863.db2.gz QBOLAAJWYXVXEG-KRWDZBQOSA-N 2 1 314.433 1.593 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000876750722 705857006 /nfs/dbraw/zinc/85/70/06/705857006.db2.gz RSUQPKWIAFWXBS-SJLPKXTDSA-N 2 1 324.428 1.442 20 30 DDEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876782631 705874843 /nfs/dbraw/zinc/87/48/43/705874843.db2.gz RDIJNOVYAKEFGQ-NXOUGTEYSA-N 2 1 324.428 1.344 20 30 DDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876782631 705874847 /nfs/dbraw/zinc/87/48/47/705874847.db2.gz RDIJNOVYAKEFGQ-NXOUGTEYSA-N 2 1 324.428 1.344 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876902269 705916090 /nfs/dbraw/zinc/91/60/90/705916090.db2.gz LOMXXAQNQPEGRE-VHDGCEQUSA-N 2 1 311.857 1.932 20 30 DDEDMP C#CCCCCCC[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000877031222 705966098 /nfs/dbraw/zinc/96/60/98/705966098.db2.gz OVDGIUYVKJXSQH-SFHVURJKSA-N 2 1 307.482 1.566 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)COc2ccccc2C#N)CC1 ZINC000899909339 709234532 /nfs/dbraw/zinc/23/45/32/709234532.db2.gz AGYDWBDSPJKWDT-INIZCTEOSA-N 2 1 315.417 1.468 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)COc2ccccc2C#N)CC1 ZINC000899909339 709234534 /nfs/dbraw/zinc/23/45/34/709234534.db2.gz AGYDWBDSPJKWDT-INIZCTEOSA-N 2 1 315.417 1.468 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000923281208 714296499 /nfs/dbraw/zinc/29/64/99/714296499.db2.gz LKWRLCOLODBTJN-KRWDZBQOSA-N 2 1 315.417 1.514 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000923449746 714359658 /nfs/dbraw/zinc/35/96/58/714359658.db2.gz BUOZRDJTVNSDLN-KRWDZBQOSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960289296 716480994 /nfs/dbraw/zinc/48/09/94/716480994.db2.gz MEKAFBBMWVNXMO-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960289296 716480996 /nfs/dbraw/zinc/48/09/96/716480996.db2.gz MEKAFBBMWVNXMO-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960289296 716481000 /nfs/dbraw/zinc/48/10/00/716481000.db2.gz MEKAFBBMWVNXMO-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]21 ZINC000958415458 716539898 /nfs/dbraw/zinc/53/98/98/716539898.db2.gz VIBDGMKSBCWDRZ-XWTMOSNGSA-N 2 1 324.428 1.199 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]21 ZINC000958415458 716539903 /nfs/dbraw/zinc/53/99/03/716539903.db2.gz VIBDGMKSBCWDRZ-XWTMOSNGSA-N 2 1 324.428 1.199 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000958415458 716539908 /nfs/dbraw/zinc/53/99/08/716539908.db2.gz VIBDGMKSBCWDRZ-XWTMOSNGSA-N 2 1 324.428 1.199 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000958415458 716539912 /nfs/dbraw/zinc/53/99/12/716539912.db2.gz VIBDGMKSBCWDRZ-XWTMOSNGSA-N 2 1 324.428 1.199 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216167 717131876 /nfs/dbraw/zinc/13/18/76/717131876.db2.gz CJWMHYQOBRMGDE-UONOGXRCSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216167 717131877 /nfs/dbraw/zinc/13/18/77/717131877.db2.gz CJWMHYQOBRMGDE-UONOGXRCSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216167 717131881 /nfs/dbraw/zinc/13/18/81/717131881.db2.gz CJWMHYQOBRMGDE-UONOGXRCSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216167 717131883 /nfs/dbraw/zinc/13/18/83/717131883.db2.gz CJWMHYQOBRMGDE-UONOGXRCSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962311939 717399067 /nfs/dbraw/zinc/39/90/67/717399067.db2.gz MIDBSVBCZVWEMU-FOLVSLTJSA-N 2 1 300.406 1.384 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962311939 717399071 /nfs/dbraw/zinc/39/90/71/717399071.db2.gz MIDBSVBCZVWEMU-FOLVSLTJSA-N 2 1 300.406 1.384 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000965848057 717782408 /nfs/dbraw/zinc/78/24/08/717782408.db2.gz VTSSHJYKUCKCAM-XOGYLQAWSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755344 718184030 /nfs/dbraw/zinc/18/40/30/718184030.db2.gz CEUPTLWCXCZTKU-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947557495 719211048 /nfs/dbraw/zinc/21/10/48/719211048.db2.gz YIGRITXFJKXBCI-GJZGRUSLSA-N 2 1 316.449 1.917 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC000947557495 719211049 /nfs/dbraw/zinc/21/10/49/719211049.db2.gz YIGRITXFJKXBCI-GJZGRUSLSA-N 2 1 316.449 1.917 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000948056807 719345046 /nfs/dbraw/zinc/34/50/46/719345046.db2.gz MIPILVPASZLWEO-MAUKXSAKSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)[C@@H](C)C2)CC1 ZINC000948070267 719349443 /nfs/dbraw/zinc/34/94/43/719349443.db2.gz OIGGUCATRBDBKO-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000948746382 719683762 /nfs/dbraw/zinc/68/37/62/719683762.db2.gz XWOOIBQYBGNCSD-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000948746382 719683766 /nfs/dbraw/zinc/68/37/66/719683766.db2.gz XWOOIBQYBGNCSD-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC=C)CC1 ZINC000969156184 719980628 /nfs/dbraw/zinc/98/06/28/719980628.db2.gz LUPHLTKPKGIQRY-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949470859 720109714 /nfs/dbraw/zinc/10/97/14/720109714.db2.gz MQFVXELSJWZLQX-HOTGVXAUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949470859 720109716 /nfs/dbraw/zinc/10/97/16/720109716.db2.gz MQFVXELSJWZLQX-HOTGVXAUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949470859 720109719 /nfs/dbraw/zinc/10/97/19/720109719.db2.gz MQFVXELSJWZLQX-HOTGVXAUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949470859 720109722 /nfs/dbraw/zinc/10/97/22/720109722.db2.gz MQFVXELSJWZLQX-HOTGVXAUSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC000950090200 720485745 /nfs/dbraw/zinc/48/57/45/720485745.db2.gz YUWZOYMXHPSRDM-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC000950090200 720485747 /nfs/dbraw/zinc/48/57/47/720485747.db2.gz YUWZOYMXHPSRDM-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000950090203 720486181 /nfs/dbraw/zinc/48/61/81/720486181.db2.gz YUWZOYMXHPSRDM-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000950090203 720486183 /nfs/dbraw/zinc/48/61/83/720486183.db2.gz YUWZOYMXHPSRDM-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001023557013 735310460 /nfs/dbraw/zinc/31/04/60/735310460.db2.gz RXPJJAWYVPHJFJ-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557013 735310463 /nfs/dbraw/zinc/31/04/63/735310463.db2.gz RXPJJAWYVPHJFJ-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557013 735310467 /nfs/dbraw/zinc/31/04/67/735310467.db2.gz RXPJJAWYVPHJFJ-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023672129 735388640 /nfs/dbraw/zinc/38/86/40/735388640.db2.gz USKGFYJDZHARGB-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001023672129 735388644 /nfs/dbraw/zinc/38/86/44/735388644.db2.gz USKGFYJDZHARGB-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001020587678 732536665 /nfs/dbraw/zinc/53/66/65/732536665.db2.gz QDDBKOYDFZGGOW-IHRRRGAJSA-N 2 1 322.840 1.743 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001020722689 732645251 /nfs/dbraw/zinc/64/52/51/732645251.db2.gz SATSVKRZWZHXRS-AJNGGQMLSA-N 2 1 311.857 1.993 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021637268 733390972 /nfs/dbraw/zinc/39/09/72/733390972.db2.gz ZVEPKBHEPLBLQS-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021637268 733390975 /nfs/dbraw/zinc/39/09/75/733390975.db2.gz ZVEPKBHEPLBLQS-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681923 733439703 /nfs/dbraw/zinc/43/97/03/733439703.db2.gz KIPJKJAADPPLQQ-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001023090874 735035848 /nfs/dbraw/zinc/03/58/48/735035848.db2.gz AILNZRYCDWYONX-CALCHBBNSA-N 2 1 323.400 1.500 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027965660 738875193 /nfs/dbraw/zinc/87/51/93/738875193.db2.gz ZUXUFUSNZPVIMX-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023456079 735250470 /nfs/dbraw/zinc/25/04/70/735250470.db2.gz WFWGZIBBQNMQJV-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456079 735250474 /nfs/dbraw/zinc/25/04/74/735250474.db2.gz WFWGZIBBQNMQJV-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704591 735552825 /nfs/dbraw/zinc/55/28/25/735552825.db2.gz TXGRHNJINCGJEU-IEBWSBKVSA-N 2 1 313.445 1.629 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024437891 735826517 /nfs/dbraw/zinc/82/65/17/735826517.db2.gz YOMQSAFSRJUBLH-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024437891 735826521 /nfs/dbraw/zinc/82/65/21/735826521.db2.gz YOMQSAFSRJUBLH-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024437891 735826523 /nfs/dbraw/zinc/82/65/23/735826523.db2.gz YOMQSAFSRJUBLH-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561639 735939690 /nfs/dbraw/zinc/93/96/90/735939690.db2.gz UEBDZQMVHVNCQL-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561639 735939693 /nfs/dbraw/zinc/93/96/93/735939693.db2.gz UEBDZQMVHVNCQL-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561639 735939697 /nfs/dbraw/zinc/93/96/97/735939697.db2.gz UEBDZQMVHVNCQL-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296862 735970549 /nfs/dbraw/zinc/97/05/49/735970549.db2.gz HJFQLHUZXNKLAO-OIISXLGYSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@H]21 ZINC001087296862 735970553 /nfs/dbraw/zinc/97/05/53/735970553.db2.gz HJFQLHUZXNKLAO-OIISXLGYSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001024691742 736024116 /nfs/dbraw/zinc/02/41/16/736024116.db2.gz BHUMCOQBKIAHEH-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001024691742 736024121 /nfs/dbraw/zinc/02/41/21/736024121.db2.gz BHUMCOQBKIAHEH-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691742 736024126 /nfs/dbraw/zinc/02/41/26/736024126.db2.gz BHUMCOQBKIAHEH-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001024691742 736024133 /nfs/dbraw/zinc/02/41/33/736024133.db2.gz BHUMCOQBKIAHEH-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317539 736081337 /nfs/dbraw/zinc/08/13/37/736081337.db2.gz KBFWDHGCKVZVJF-NJAFHUGGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001024812718 736108587 /nfs/dbraw/zinc/10/85/87/736108587.db2.gz ROUFXXAGARYLJR-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001020237024 737005596 /nfs/dbraw/zinc/00/55/96/737005596.db2.gz QYVVUURIUPABLO-KKUMJFAQSA-N 2 1 313.873 1.954 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042278 737476865 /nfs/dbraw/zinc/47/68/65/737476865.db2.gz UUPAVGKAOGGIMJ-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042278 737476867 /nfs/dbraw/zinc/47/68/67/737476867.db2.gz UUPAVGKAOGGIMJ-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CN1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035361641 751446513 /nfs/dbraw/zinc/44/65/13/751446513.db2.gz OEJGPKJHPFFOPO-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028659736 739869486 /nfs/dbraw/zinc/86/94/86/739869486.db2.gz XGCNBUJAKNUAKI-AWEZNQCLSA-N 2 1 311.857 1.805 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028659736 739869491 /nfs/dbraw/zinc/86/94/91/739869491.db2.gz XGCNBUJAKNUAKI-AWEZNQCLSA-N 2 1 311.857 1.805 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800105 740057578 /nfs/dbraw/zinc/05/75/78/740057578.db2.gz OWRWWRVSSRCOCV-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800105 740057580 /nfs/dbraw/zinc/05/75/80/740057580.db2.gz OWRWWRVSSRCOCV-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035434416 751511733 /nfs/dbraw/zinc/51/17/33/751511733.db2.gz YFJVCXICOIUWTB-MRXNPFEDSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161649269 740300975 /nfs/dbraw/zinc/30/09/75/740300975.db2.gz AEMPVVYHCIQPHJ-CQSZACIVSA-N 2 1 301.862 1.955 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784819 740472589 /nfs/dbraw/zinc/47/25/89/740472589.db2.gz IPVVDRRIMWZWOM-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784819 740472592 /nfs/dbraw/zinc/47/25/92/740472592.db2.gz IPVVDRRIMWZWOM-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087598302 740671054 /nfs/dbraw/zinc/67/10/54/740671054.db2.gz CALHERCUTAIRHV-FGTMMUONSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087598302 740671056 /nfs/dbraw/zinc/67/10/56/740671056.db2.gz CALHERCUTAIRHV-FGTMMUONSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1CC ZINC001087598302 740671057 /nfs/dbraw/zinc/67/10/57/740671057.db2.gz CALHERCUTAIRHV-FGTMMUONSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001101589689 741811539 /nfs/dbraw/zinc/81/15/39/741811539.db2.gz ZHOKWGXOOFQKLZ-MRXNPFEDSA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076462555 742746396 /nfs/dbraw/zinc/74/63/96/742746396.db2.gz ZPFJRBPNQFCNFO-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076462555 742746393 /nfs/dbraw/zinc/74/63/93/742746393.db2.gz ZPFJRBPNQFCNFO-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076462555 742746398 /nfs/dbraw/zinc/74/63/98/742746398.db2.gz ZPFJRBPNQFCNFO-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181670467 743295783 /nfs/dbraw/zinc/29/57/83/743295783.db2.gz AIYJIKMRHJNZRW-ZIFCJYIRSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577344 743916350 /nfs/dbraw/zinc/91/63/50/743916350.db2.gz PNPAEOFONMMMPG-HOTGVXAUSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088857471 744232555 /nfs/dbraw/zinc/23/25/55/744232555.db2.gz QBDUNDNWXHOPHC-INWMFGNUSA-N 2 1 302.422 1.519 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088857471 744232556 /nfs/dbraw/zinc/23/25/56/744232556.db2.gz QBDUNDNWXHOPHC-INWMFGNUSA-N 2 1 302.422 1.519 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001186608849 744420110 /nfs/dbraw/zinc/42/01/10/744420110.db2.gz PCZWVKVZVGFJIC-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001045943691 744494419 /nfs/dbraw/zinc/49/44/19/744494419.db2.gz MNJWJNLZYFZPKU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001045943691 744494422 /nfs/dbraw/zinc/49/44/22/744494422.db2.gz MNJWJNLZYFZPKU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC)C2)C1 ZINC001045943691 744494426 /nfs/dbraw/zinc/49/44/26/744494426.db2.gz MNJWJNLZYFZPKU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@]2(CC[NH+](CC)C2)C1 ZINC001045943691 744494428 /nfs/dbraw/zinc/49/44/28/744494428.db2.gz MNJWJNLZYFZPKU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188146184 744665711 /nfs/dbraw/zinc/66/57/11/744665711.db2.gz XWDUBKTXLCPEHH-GFCCVEGCSA-N 2 1 318.259 1.426 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188689766 744748679 /nfs/dbraw/zinc/74/86/79/744748679.db2.gz BSSPXJOWUHYBPX-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516771 744909207 /nfs/dbraw/zinc/90/92/07/744909207.db2.gz LNRNFTBBNKVJOL-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516771 744909211 /nfs/dbraw/zinc/90/92/11/744909211.db2.gz LNRNFTBBNKVJOL-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189516771 744909212 /nfs/dbraw/zinc/90/92/12/744909212.db2.gz LNRNFTBBNKVJOL-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189516771 744909216 /nfs/dbraw/zinc/90/92/16/744909216.db2.gz LNRNFTBBNKVJOL-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190490898 745243206 /nfs/dbraw/zinc/24/32/06/745243206.db2.gz ACDKIKHDDCYDGH-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190490898 745243212 /nfs/dbraw/zinc/24/32/12/745243212.db2.gz ACDKIKHDDCYDGH-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190490898 745243218 /nfs/dbraw/zinc/24/32/18/745243218.db2.gz ACDKIKHDDCYDGH-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCOC)C1 ZINC001190723507 745307113 /nfs/dbraw/zinc/30/71/13/745307113.db2.gz HXZZCZHCENRVON-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCOC)C1 ZINC001190723507 745307118 /nfs/dbraw/zinc/30/71/18/745307118.db2.gz HXZZCZHCENRVON-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCOC)C1 ZINC001190723507 745307122 /nfs/dbraw/zinc/30/71/22/745307122.db2.gz HXZZCZHCENRVON-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCOC)C1 ZINC001190723507 745307127 /nfs/dbraw/zinc/30/71/27/745307127.db2.gz HXZZCZHCENRVON-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357618 745625523 /nfs/dbraw/zinc/62/55/23/745625523.db2.gz GYEJPGDPQQJEQB-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192425084 745779913 /nfs/dbraw/zinc/77/99/13/745779913.db2.gz FASSCCSJHPQSED-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192845835 745915019 /nfs/dbraw/zinc/91/50/19/745915019.db2.gz JQBYBRJEVLIAOA-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192845835 745915023 /nfs/dbraw/zinc/91/50/23/745915023.db2.gz JQBYBRJEVLIAOA-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204770 746012438 /nfs/dbraw/zinc/01/24/38/746012438.db2.gz JXKFWFWKUYLUBV-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001194247312 746320411 /nfs/dbraw/zinc/32/04/11/746320411.db2.gz WJDXWBOUFIHNJC-WMZOPIPTSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015707111 746509624 /nfs/dbraw/zinc/50/96/24/746509624.db2.gz ZWGVALCVESAOSJ-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015707111 746509627 /nfs/dbraw/zinc/50/96/27/746509627.db2.gz ZWGVALCVESAOSJ-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015707111 746509633 /nfs/dbraw/zinc/50/96/33/746509633.db2.gz ZWGVALCVESAOSJ-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001196129717 746778980 /nfs/dbraw/zinc/77/89/80/746778980.db2.gz IRLTXSBRHCPXQL-BZUAXINKSA-N 2 1 311.470 1.234 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC1CCN(C[C@H](F)CC)CC1 ZINC001003055580 746945085 /nfs/dbraw/zinc/94/50/85/746945085.db2.gz IVVAEKWRNVGNEZ-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197048859 747036143 /nfs/dbraw/zinc/03/61/43/747036143.db2.gz HRVMCKLOQKDYMZ-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001036109329 752179418 /nfs/dbraw/zinc/17/94/18/752179418.db2.gz AZAYQTAGDLRZEG-SMDDNHRTSA-N 2 1 310.829 1.771 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658836 748319072 /nfs/dbraw/zinc/31/90/72/748319072.db2.gz WRGZITYMFKKPMI-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001201117850 748413931 /nfs/dbraw/zinc/41/39/31/748413931.db2.gz FOUSIDODEKHFOG-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143884 748536596 /nfs/dbraw/zinc/53/65/96/748536596.db2.gz NEVROIIHDMWEEK-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143884 748536605 /nfs/dbraw/zinc/53/66/05/748536605.db2.gz NEVROIIHDMWEEK-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143884 748536610 /nfs/dbraw/zinc/53/66/10/748536610.db2.gz NEVROIIHDMWEEK-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862875 748612614 /nfs/dbraw/zinc/61/26/14/748612614.db2.gz HFIYUVQKLFMSRG-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201924556 748645974 /nfs/dbraw/zinc/64/59/74/748645974.db2.gz ORUHCFMPWXEGRL-AWEZNQCLSA-N 2 1 317.861 1.288 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202163863 748702061 /nfs/dbraw/zinc/70/20/61/748702061.db2.gz IXDBPSJJBCPQAU-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033201331 748909901 /nfs/dbraw/zinc/90/99/01/748909901.db2.gz ANBXBCQMGMOJTP-DOTOQJQBSA-N 2 1 316.449 1.944 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033206822 748920237 /nfs/dbraw/zinc/92/02/37/748920237.db2.gz JPGKWQTYLRUDLQ-HUUCEWRRSA-N 2 1 300.406 1.002 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108322921 761931894 /nfs/dbraw/zinc/93/18/94/761931894.db2.gz FGYXSNWTXBWAQP-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108322921 761931903 /nfs/dbraw/zinc/93/19/03/761931903.db2.gz FGYXSNWTXBWAQP-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108322921 761931913 /nfs/dbraw/zinc/93/19/13/761931913.db2.gz FGYXSNWTXBWAQP-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995895728 749279109 /nfs/dbraw/zinc/27/91/09/749279109.db2.gz MIFXLCPNJFZUHZ-HOTGVXAUSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124173 761968636 /nfs/dbraw/zinc/96/86/36/761968636.db2.gz DCNAZDPFWPTGRC-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001033684315 749713379 /nfs/dbraw/zinc/71/33/79/749713379.db2.gz MDTNBRUHDKHQLP-FAOGRTBUSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001033684315 749713385 /nfs/dbraw/zinc/71/33/85/749713385.db2.gz MDTNBRUHDKHQLP-FAOGRTBUSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687164 749717041 /nfs/dbraw/zinc/71/70/41/749717041.db2.gz ZEIWILANZZFRFE-KRWDZBQOSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424995 749884975 /nfs/dbraw/zinc/88/49/75/749884975.db2.gz AUJGYEFJTCXQEO-QZWWFDLISA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444587 749966132 /nfs/dbraw/zinc/96/61/32/749966132.db2.gz QCDJYBUFJZJDIU-SOLBZPMBSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095529190 750013539 /nfs/dbraw/zinc/01/35/39/750013539.db2.gz HFPOBIDNGCUMAJ-YVSFHVDLSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095529190 750013545 /nfs/dbraw/zinc/01/35/45/750013545.db2.gz HFPOBIDNGCUMAJ-YVSFHVDLSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095529190 750013551 /nfs/dbraw/zinc/01/35/51/750013551.db2.gz HFPOBIDNGCUMAJ-YVSFHVDLSA-N 2 1 305.466 1.872 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107533682 750097380 /nfs/dbraw/zinc/09/73/80/750097380.db2.gz AEOZTSLORNZSBX-ZHALLVOQSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812858 750470842 /nfs/dbraw/zinc/47/08/42/750470842.db2.gz SBLOOSSJRZRMQK-OWSLCNJRSA-N 2 1 315.461 1.606 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034535005 750536098 /nfs/dbraw/zinc/53/60/98/750536098.db2.gz QTGJMXGVYZDFCI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535005 750536100 /nfs/dbraw/zinc/53/61/00/750536100.db2.gz QTGJMXGVYZDFCI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535005 750536102 /nfs/dbraw/zinc/53/61/02/750536102.db2.gz QTGJMXGVYZDFCI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535005 750536104 /nfs/dbraw/zinc/53/61/04/750536104.db2.gz QTGJMXGVYZDFCI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCF)C2)CC1 ZINC001034538573 750542136 /nfs/dbraw/zinc/54/21/36/750542136.db2.gz PXUFBOMNMDVPCY-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCF)C2)CC1 ZINC001034538573 750542141 /nfs/dbraw/zinc/54/21/41/750542141.db2.gz PXUFBOMNMDVPCY-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089905152 750701561 /nfs/dbraw/zinc/70/15/61/750701561.db2.gz HCBFRJLJYRHLTN-FJIDUMEYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997275964 750727825 /nfs/dbraw/zinc/72/78/25/750727825.db2.gz AVEPUAYJTSWGOV-SJLPKXTDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107948919 750817758 /nfs/dbraw/zinc/81/77/58/750817758.db2.gz BHARPVXYINFTRR-FUHWJXTLSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001032443274 750856700 /nfs/dbraw/zinc/85/67/00/750856700.db2.gz PZLKQLWMFCOALW-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032443274 750856709 /nfs/dbraw/zinc/85/67/09/750856709.db2.gz PZLKQLWMFCOALW-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032443274 750856717 /nfs/dbraw/zinc/85/67/17/750856717.db2.gz PZLKQLWMFCOALW-IKGGRYGDSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032492931 751051054 /nfs/dbraw/zinc/05/10/54/751051054.db2.gz DTNKLGHKMLXJML-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032492931 751051059 /nfs/dbraw/zinc/05/10/59/751051059.db2.gz DTNKLGHKMLXJML-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)C1 ZINC001034963521 751096421 /nfs/dbraw/zinc/09/64/21/751096421.db2.gz VOIQGTHZAFXBDA-HIEASXQVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(C)C1 ZINC001034963521 751096425 /nfs/dbraw/zinc/09/64/25/751096425.db2.gz VOIQGTHZAFXBDA-HIEASXQVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035227567 751306589 /nfs/dbraw/zinc/30/65/89/751306589.db2.gz ZKNYULNZTXNJIN-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000708135 762116763 /nfs/dbraw/zinc/11/67/63/762116763.db2.gz LXKYRFMAXFOREI-QGZVFWFLSA-N 2 1 303.450 1.653 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001009172532 753097468 /nfs/dbraw/zinc/09/74/68/753097468.db2.gz ZXIOOSDDEIJCHE-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009172532 753097471 /nfs/dbraw/zinc/09/74/71/753097471.db2.gz ZXIOOSDDEIJCHE-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009172532 753097476 /nfs/dbraw/zinc/09/74/76/753097476.db2.gz ZXIOOSDDEIJCHE-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009172532 753097480 /nfs/dbraw/zinc/09/74/80/753097480.db2.gz ZXIOOSDDEIJCHE-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001009628592 753288419 /nfs/dbraw/zinc/28/84/19/753288419.db2.gz QERWYJCMJJXUCM-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999999912 753305846 /nfs/dbraw/zinc/30/58/46/753305846.db2.gz OSYKTESSVJOOJL-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999999912 753305852 /nfs/dbraw/zinc/30/58/52/753305852.db2.gz OSYKTESSVJOOJL-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107999148 753426633 /nfs/dbraw/zinc/42/66/33/753426633.db2.gz YLOOQBBWMKCGKT-SJLPKXTDSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739432 754357869 /nfs/dbraw/zinc/35/78/69/754357869.db2.gz OMZCHURCWWHCQP-GJZGRUSLSA-N 2 1 314.433 1.657 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078812177 754417380 /nfs/dbraw/zinc/41/73/80/754417380.db2.gz GPIKVOVTWHHCQF-CABCVRRESA-N 2 1 302.422 1.785 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001762993 754498911 /nfs/dbraw/zinc/49/89/11/754498911.db2.gz TZWVSLBAVKXORW-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040106798 762386558 /nfs/dbraw/zinc/38/65/58/762386558.db2.gz DENCZMUXERDKNX-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040106798 762386563 /nfs/dbraw/zinc/38/65/63/762386563.db2.gz DENCZMUXERDKNX-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040106798 762386565 /nfs/dbraw/zinc/38/65/65/762386565.db2.gz DENCZMUXERDKNX-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136932 762403718 /nfs/dbraw/zinc/40/37/18/762403718.db2.gz KSRUNWVIFOCSLI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136932 762403720 /nfs/dbraw/zinc/40/37/20/762403720.db2.gz KSRUNWVIFOCSLI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136932 762403721 /nfs/dbraw/zinc/40/37/21/762403721.db2.gz KSRUNWVIFOCSLI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136932 762403723 /nfs/dbraw/zinc/40/37/23/762403723.db2.gz KSRUNWVIFOCSLI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136929 762404239 /nfs/dbraw/zinc/40/42/39/762404239.db2.gz KSRUNWVIFOCSLI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136929 762404245 /nfs/dbraw/zinc/40/42/45/762404245.db2.gz KSRUNWVIFOCSLI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136929 762404250 /nfs/dbraw/zinc/40/42/50/762404250.db2.gz KSRUNWVIFOCSLI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136929 762404257 /nfs/dbraw/zinc/40/42/57/762404257.db2.gz KSRUNWVIFOCSLI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079845253 755606697 /nfs/dbraw/zinc/60/66/97/755606697.db2.gz RSCWKRHULQBOKR-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079845253 755606699 /nfs/dbraw/zinc/60/66/99/755606699.db2.gz RSCWKRHULQBOKR-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079845253 755606702 /nfs/dbraw/zinc/60/67/02/755606702.db2.gz RSCWKRHULQBOKR-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015390516 756278510 /nfs/dbraw/zinc/27/85/10/756278510.db2.gz DDKCCWNBGGVDKJ-QGZVFWFLSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911773 756645061 /nfs/dbraw/zinc/64/50/61/756645061.db2.gz UGUYLAGBMOLAGG-HNNXBMFYSA-N 2 1 309.373 1.095 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911773 756645062 /nfs/dbraw/zinc/64/50/62/756645062.db2.gz UGUYLAGBMOLAGG-HNNXBMFYSA-N 2 1 309.373 1.095 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001016329515 756930830 /nfs/dbraw/zinc/93/08/30/756930830.db2.gz AXIOUIJZHGMLMX-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040397379 762524525 /nfs/dbraw/zinc/52/45/25/762524525.db2.gz ZCPPJZAIGWOBHK-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040397379 762524532 /nfs/dbraw/zinc/52/45/32/762524532.db2.gz ZCPPJZAIGWOBHK-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040397379 762524536 /nfs/dbraw/zinc/52/45/36/762524536.db2.gz ZCPPJZAIGWOBHK-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084388675 757549272 /nfs/dbraw/zinc/54/92/72/757549272.db2.gz AFPLFSVYBDIHDE-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084388675 757549282 /nfs/dbraw/zinc/54/92/82/757549282.db2.gz AFPLFSVYBDIHDE-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084388675 757549287 /nfs/dbraw/zinc/54/92/87/757549287.db2.gz AFPLFSVYBDIHDE-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040494569 762561106 /nfs/dbraw/zinc/56/11/06/762561106.db2.gz XQFDQZJKDYANMC-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040494569 762561111 /nfs/dbraw/zinc/56/11/11/762561111.db2.gz XQFDQZJKDYANMC-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040494569 762561117 /nfs/dbraw/zinc/56/11/17/762561117.db2.gz XQFDQZJKDYANMC-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084445007 757601741 /nfs/dbraw/zinc/60/17/41/757601741.db2.gz NKASMDRNYKZPPI-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC001084445007 757601745 /nfs/dbraw/zinc/60/17/45/757601745.db2.gz NKASMDRNYKZPPI-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052824782 757829606 /nfs/dbraw/zinc/82/96/06/757829606.db2.gz AIADVKATFKDKSJ-INIZCTEOSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052824782 757829621 /nfs/dbraw/zinc/82/96/21/757829621.db2.gz AIADVKATFKDKSJ-INIZCTEOSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084850876 757976707 /nfs/dbraw/zinc/97/67/07/757976707.db2.gz AMFWSOFSYYKTLV-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001017610260 758079330 /nfs/dbraw/zinc/07/93/30/758079330.db2.gz DBLZJEGYVDIBTO-OKZBNKHCSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084939192 758082127 /nfs/dbraw/zinc/08/21/27/758082127.db2.gz VXLISERSZCGPPP-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084939192 758082137 /nfs/dbraw/zinc/08/21/37/758082137.db2.gz VXLISERSZCGPPP-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001084939192 758082143 /nfs/dbraw/zinc/08/21/43/758082143.db2.gz VXLISERSZCGPPP-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197924 759283148 /nfs/dbraw/zinc/28/31/48/759283148.db2.gz LVILBLLPWUBTIS-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197924 759283156 /nfs/dbraw/zinc/28/31/56/759283156.db2.gz LVILBLLPWUBTIS-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197924 759283165 /nfs/dbraw/zinc/28/31/65/759283165.db2.gz LVILBLLPWUBTIS-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227772 759318101 /nfs/dbraw/zinc/31/81/01/759318101.db2.gz KQYRMUAKWWXXBW-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227772 759318109 /nfs/dbraw/zinc/31/81/09/759318109.db2.gz KQYRMUAKWWXXBW-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227772 759318118 /nfs/dbraw/zinc/31/81/18/759318118.db2.gz KQYRMUAKWWXXBW-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001054827885 760115089 /nfs/dbraw/zinc/11/50/89/760115089.db2.gz YPIVLJGEJDWPTP-GDBMZVCRSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086412171 761572524 /nfs/dbraw/zinc/57/25/24/761572524.db2.gz NNCBYPRIXNMLMS-JOCQHMNTSA-N 2 1 306.410 1.410 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001000208063 761574749 /nfs/dbraw/zinc/57/47/49/761574749.db2.gz JGHSDMQKYJAMLP-AWEZNQCLSA-N 2 1 316.405 1.098 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243017 761880348 /nfs/dbraw/zinc/88/03/48/761880348.db2.gz RSQARPJSOCIEBC-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001367744 762795719 /nfs/dbraw/zinc/79/57/19/762795719.db2.gz CJUHAYMIQYJQGU-ZWKOTPCHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821112 762975634 /nfs/dbraw/zinc/97/56/34/762975634.db2.gz BAGRABUOLNZMKE-XHSDSOJGSA-N 2 1 300.406 1.184 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821307 762976597 /nfs/dbraw/zinc/97/65/97/762976597.db2.gz HHKOEEAONGHNKW-JYJNAYRXSA-N 2 1 302.422 1.737 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001041475242 763060184 /nfs/dbraw/zinc/06/01/84/763060184.db2.gz JCHOZICIBVVHNU-IBGZPJMESA-N 2 1 322.412 1.896 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050183601 763279540 /nfs/dbraw/zinc/27/95/40/763279540.db2.gz IYQCSRBAKKYPDN-LSDHHAIUSA-N 2 1 323.868 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050183601 763279552 /nfs/dbraw/zinc/27/95/52/763279552.db2.gz IYQCSRBAKKYPDN-LSDHHAIUSA-N 2 1 323.868 1.758 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001050591748 763797521 /nfs/dbraw/zinc/79/75/21/763797521.db2.gz AUMKLEIYSHKBFY-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256968 763827952 /nfs/dbraw/zinc/82/79/52/763827952.db2.gz BPZYLNQRXGWGRK-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131692059 768274773 /nfs/dbraw/zinc/27/47/73/768274773.db2.gz CUXFXVJHVLKEFH-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC[NH+](C)C)C[C@@H](C)O2 ZINC001131696893 768278088 /nfs/dbraw/zinc/27/80/88/768278088.db2.gz CLAQWNFNDMXPRT-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562703 765959163 /nfs/dbraw/zinc/95/91/63/765959163.db2.gz ZBFNGZGVSWEETR-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591082 765978141 /nfs/dbraw/zinc/97/81/41/765978141.db2.gz MQCFFJFBLNAVDV-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045922001 766702222 /nfs/dbraw/zinc/70/22/22/766702222.db2.gz WRAJKUROVZSCDI-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045922001 766702223 /nfs/dbraw/zinc/70/22/23/766702223.db2.gz WRAJKUROVZSCDI-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045922001 766702224 /nfs/dbraw/zinc/70/22/24/766702224.db2.gz WRAJKUROVZSCDI-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062209 766874875 /nfs/dbraw/zinc/87/48/75/766874875.db2.gz CNOVOLBMZAURDO-SJORKVTESA-N 2 1 322.497 1.121 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)nc1C ZINC001129762679 766991291 /nfs/dbraw/zinc/99/12/91/766991291.db2.gz QOLUZFOGWHZCHM-KRWDZBQOSA-N 2 1 314.433 1.002 20 30 DDEDMP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130298172 767419124 /nfs/dbraw/zinc/41/91/24/767419124.db2.gz XKZDXIZVRSZFLK-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001130298172 767419126 /nfs/dbraw/zinc/41/91/26/767419126.db2.gz XKZDXIZVRSZFLK-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436788 767566509 /nfs/dbraw/zinc/56/65/09/767566509.db2.gz SIEDKBRUYBSOLR-GOSISDBHSA-N 2 1 310.401 1.860 20 30 DDEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569803 767698226 /nfs/dbraw/zinc/69/82/26/767698226.db2.gz OEFJPSFBHJREDW-PBHICJAKSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569803 767698227 /nfs/dbraw/zinc/69/82/27/767698227.db2.gz OEFJPSFBHJREDW-PBHICJAKSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001098477611 768414545 /nfs/dbraw/zinc/41/45/45/768414545.db2.gz BODILPWYAWKWRZ-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477611 768414548 /nfs/dbraw/zinc/41/45/48/768414548.db2.gz BODILPWYAWKWRZ-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098477611 768414553 /nfs/dbraw/zinc/41/45/53/768414553.db2.gz BODILPWYAWKWRZ-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001047636060 768627797 /nfs/dbraw/zinc/62/77/97/768627797.db2.gz LGIXGDFTMKAOJG-IRXDYDNUSA-N 2 1 317.433 1.051 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1([NH+](C)C)CCC1)C[C@H](C)O2 ZINC001071175520 769099740 /nfs/dbraw/zinc/09/97/40/769099740.db2.gz FWIJRXRUWZLAIK-RDJZCZTQSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1CCCC)C2 ZINC001096313294 769143730 /nfs/dbraw/zinc/14/37/30/769143730.db2.gz AJQVZOAKFAYAGO-OWSLCNJRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CCCC)C2 ZINC001096313294 769143738 /nfs/dbraw/zinc/14/37/38/769143738.db2.gz AJQVZOAKFAYAGO-OWSLCNJRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313294 769143742 /nfs/dbraw/zinc/14/37/42/769143742.db2.gz AJQVZOAKFAYAGO-OWSLCNJRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1CCCC)C2 ZINC001096313294 769143748 /nfs/dbraw/zinc/14/37/48/769143748.db2.gz AJQVZOAKFAYAGO-OWSLCNJRSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582917 769558746 /nfs/dbraw/zinc/55/87/46/769558746.db2.gz YHJYSFPXFRMWOH-BJWYYQGGSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071605615 769703050 /nfs/dbraw/zinc/70/30/50/769703050.db2.gz BNBLFIFNHFYTMD-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071605615 769703059 /nfs/dbraw/zinc/70/30/59/769703059.db2.gz BNBLFIFNHFYTMD-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@@H]1C ZINC001071974596 770370432 /nfs/dbraw/zinc/37/04/32/770370432.db2.gz OIUVTAJRLQLGRZ-MAUKXSAKSA-N 2 1 317.477 1.711 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001133869568 770391284 /nfs/dbraw/zinc/39/12/84/770391284.db2.gz GWSYPNLCVVSKGA-BXUZGUMPSA-N 2 1 306.435 1.023 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107443 770391716 /nfs/dbraw/zinc/39/17/16/770391716.db2.gz JVTZGENRECUUNZ-TWMKSMIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107443 770391727 /nfs/dbraw/zinc/39/17/27/770391727.db2.gz JVTZGENRECUUNZ-TWMKSMIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107443 770391738 /nfs/dbraw/zinc/39/17/38/770391738.db2.gz JVTZGENRECUUNZ-TWMKSMIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001133869338 770392329 /nfs/dbraw/zinc/39/23/29/770392329.db2.gz DJVLEFJVOWHHHE-DOMZBBRYSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)CC[C@@H]1C ZINC001072095402 770535947 /nfs/dbraw/zinc/53/59/47/770535947.db2.gz HTAYGTWMIMEAEY-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478309 770905443 /nfs/dbraw/zinc/90/54/43/770905443.db2.gz MQUXCVGMMNWTIR-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049526228 770978181 /nfs/dbraw/zinc/97/81/81/770978181.db2.gz URGJUGWNESEPFO-XHSDSOJGSA-N 2 1 312.417 1.459 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001049526228 770978188 /nfs/dbraw/zinc/97/81/88/770978188.db2.gz URGJUGWNESEPFO-XHSDSOJGSA-N 2 1 312.417 1.459 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768747 771146196 /nfs/dbraw/zinc/14/61/96/771146196.db2.gz ZNCUWOUGGIBHJA-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789828 771159982 /nfs/dbraw/zinc/15/99/82/771159982.db2.gz HLPVXSODTFNGHM-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789828 771159985 /nfs/dbraw/zinc/15/99/85/771159985.db2.gz HLPVXSODTFNGHM-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471251 771527651 /nfs/dbraw/zinc/52/76/51/771527651.db2.gz JGODDKXGEJTNDC-UONOGXRCSA-N 2 1 318.421 1.390 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678762 771645825 /nfs/dbraw/zinc/64/58/25/771645825.db2.gz HZNJGCDTSZFBRM-HUUCEWRRSA-N 2 1 304.438 1.868 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001091029725 772465636 /nfs/dbraw/zinc/46/56/36/772465636.db2.gz UIFIBRNJYFKZMS-CGZBRXJRSA-N 2 1 317.477 1.759 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001147877651 773283219 /nfs/dbraw/zinc/28/32/19/773283219.db2.gz NTXJAYXOYYBXLG-MRXNPFEDSA-N 2 1 300.406 1.106 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001148286772 773432978 /nfs/dbraw/zinc/43/29/78/773432978.db2.gz YMTWMNOBXOZNCN-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148286772 773432981 /nfs/dbraw/zinc/43/29/81/773432981.db2.gz YMTWMNOBXOZNCN-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148286772 773432984 /nfs/dbraw/zinc/43/29/84/773432984.db2.gz YMTWMNOBXOZNCN-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477363 773483130 /nfs/dbraw/zinc/48/31/30/773483130.db2.gz SNKPJACYVGIUIF-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148605363 773532652 /nfs/dbraw/zinc/53/26/52/773532652.db2.gz PJRRLMQUCRSQQU-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148605363 773532654 /nfs/dbraw/zinc/53/26/54/773532654.db2.gz PJRRLMQUCRSQQU-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148605363 773532656 /nfs/dbraw/zinc/53/26/56/773532656.db2.gz PJRRLMQUCRSQQU-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952232 773891263 /nfs/dbraw/zinc/89/12/63/773891263.db2.gz FNTQFPKGZYOCOA-RYRKJORJSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952232 773891269 /nfs/dbraw/zinc/89/12/69/773891269.db2.gz FNTQFPKGZYOCOA-RYRKJORJSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952232 773891275 /nfs/dbraw/zinc/89/12/75/773891275.db2.gz FNTQFPKGZYOCOA-RYRKJORJSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001091952232 773891280 /nfs/dbraw/zinc/89/12/80/773891280.db2.gz FNTQFPKGZYOCOA-RYRKJORJSA-N 2 1 321.465 1.062 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721876 774228841 /nfs/dbraw/zinc/22/88/41/774228841.db2.gz RTWRGIGWGQMOTG-IAGOWNOFSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092907129 774315196 /nfs/dbraw/zinc/31/51/96/774315196.db2.gz UGWMCQHOJBITTN-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907129 774315202 /nfs/dbraw/zinc/31/52/02/774315202.db2.gz UGWMCQHOJBITTN-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907129 774315205 /nfs/dbraw/zinc/31/52/05/774315205.db2.gz UGWMCQHOJBITTN-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794509 774642515 /nfs/dbraw/zinc/64/25/15/774642515.db2.gz WHXLHSUXQNOZMA-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141573 775725772 /nfs/dbraw/zinc/72/57/72/775725772.db2.gz WONOGLAMBXBZND-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001100382955 776079414 /nfs/dbraw/zinc/07/94/14/776079414.db2.gz FBFLCMPODQRSCD-JCYILVPMSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100407870 776110764 /nfs/dbraw/zinc/11/07/64/776110764.db2.gz MTIFSQNAZKEBPW-YMAMQOFZSA-N 2 1 300.406 1.268 20 30 DDEDMP C#CCCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1=O ZINC001172114793 776651976 /nfs/dbraw/zinc/65/19/76/776651976.db2.gz QNZPXNFISWPDHY-NXOAAHMSSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101277382 777026637 /nfs/dbraw/zinc/02/66/37/777026637.db2.gz FRNLOCNGJJKMED-NUJGCVRESA-N 2 1 323.481 1.310 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001150323970 777408389 /nfs/dbraw/zinc/40/83/89/777408389.db2.gz FIBBWXYVFDTLSL-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150323970 777408391 /nfs/dbraw/zinc/40/83/91/777408391.db2.gz FIBBWXYVFDTLSL-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150323970 777408392 /nfs/dbraw/zinc/40/83/92/777408392.db2.gz FIBBWXYVFDTLSL-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177088423 778441806 /nfs/dbraw/zinc/44/18/06/778441806.db2.gz LHXITPIEVUHRPP-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177088423 778441811 /nfs/dbraw/zinc/44/18/11/778441811.db2.gz LHXITPIEVUHRPP-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111767339 779471953 /nfs/dbraw/zinc/47/19/53/779471953.db2.gz ZSVODAPXKTXREK-JZXOWHBKSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788018 779487658 /nfs/dbraw/zinc/48/76/58/779487658.db2.gz JEDQKNUORHPNDG-IAGOWNOFSA-N 2 1 305.466 1.903 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114976227 779798111 /nfs/dbraw/zinc/79/81/11/779798111.db2.gz VSYRBXQOEHHRKX-VQFNDLOPSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114976227 779798119 /nfs/dbraw/zinc/79/81/19/779798119.db2.gz VSYRBXQOEHHRKX-VQFNDLOPSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115306327 780024581 /nfs/dbraw/zinc/02/45/81/780024581.db2.gz MQWQMVZEUFLLLL-LTIDMASMSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115578070 780246291 /nfs/dbraw/zinc/24/62/91/780246291.db2.gz XSDWMBWNPKSJAY-HNNXBMFYSA-N 2 1 309.429 1.462 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCF)CCCCC1 ZINC001115578070 780246295 /nfs/dbraw/zinc/24/62/95/780246295.db2.gz XSDWMBWNPKSJAY-HNNXBMFYSA-N 2 1 309.429 1.462 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266452745 836275339 /nfs/dbraw/zinc/27/53/39/836275339.db2.gz QLSWVSALEPDIAS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266452745 836275354 /nfs/dbraw/zinc/27/53/54/836275354.db2.gz QLSWVSALEPDIAS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266452745 836275364 /nfs/dbraw/zinc/27/53/64/836275364.db2.gz QLSWVSALEPDIAS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266452745 836275374 /nfs/dbraw/zinc/27/53/74/836275374.db2.gz QLSWVSALEPDIAS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001266571365 836483358 /nfs/dbraw/zinc/48/33/58/836483358.db2.gz QYKQRXNINOSMOV-KRWDZBQOSA-N 2 1 311.445 1.660 20 30 DDEDMP C#CC[NH+](CCC)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001266571365 836483365 /nfs/dbraw/zinc/48/33/65/836483365.db2.gz QYKQRXNINOSMOV-KRWDZBQOSA-N 2 1 311.445 1.660 20 30 DDEDMP C#CC[NH+](CCC)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266571365 836483373 /nfs/dbraw/zinc/48/33/73/836483373.db2.gz QYKQRXNINOSMOV-KRWDZBQOSA-N 2 1 311.445 1.660 20 30 DDEDMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266817575 836878001 /nfs/dbraw/zinc/87/80/01/836878001.db2.gz LZIAPHXVUORDAL-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266868361 836970625 /nfs/dbraw/zinc/97/06/25/836970625.db2.gz VQQLJMPBOPGHIT-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCC)C1 ZINC001267103603 837350534 /nfs/dbraw/zinc/35/05/34/837350534.db2.gz CBLSVKQFISPGML-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001267103603 837350542 /nfs/dbraw/zinc/35/05/42/837350542.db2.gz CBLSVKQFISPGML-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC)C1 ZINC001267103603 837350552 /nfs/dbraw/zinc/35/05/52/837350552.db2.gz CBLSVKQFISPGML-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC)C1 ZINC001267103603 837350562 /nfs/dbraw/zinc/35/05/62/837350562.db2.gz CBLSVKQFISPGML-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267585098 838368127 /nfs/dbraw/zinc/36/81/27/838368127.db2.gz OLQHHOFNEMZHDE-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267585098 838368134 /nfs/dbraw/zinc/36/81/34/838368134.db2.gz OLQHHOFNEMZHDE-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267585098 838368142 /nfs/dbraw/zinc/36/81/42/838368142.db2.gz OLQHHOFNEMZHDE-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267789403 838982202 /nfs/dbraw/zinc/98/22/02/838982202.db2.gz FGURZJJZLVWZFF-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001267862911 839095662 /nfs/dbraw/zinc/09/56/62/839095662.db2.gz XTQGDXYBKBHFKN-QGZVFWFLSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001268194474 839824177 /nfs/dbraw/zinc/82/41/77/839824177.db2.gz KAWQPYTZZNYIJK-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001268194474 839824186 /nfs/dbraw/zinc/82/41/86/839824186.db2.gz KAWQPYTZZNYIJK-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001268194474 839824196 /nfs/dbraw/zinc/82/41/96/839824196.db2.gz KAWQPYTZZNYIJK-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268690410 840677847 /nfs/dbraw/zinc/67/78/47/840677847.db2.gz DUOUXMPKNQONHZ-RDJZCZTQSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558510 841765853 /nfs/dbraw/zinc/76/58/53/841765853.db2.gz YYDOTVBTJVVOSZ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001326291595 861260820 /nfs/dbraw/zinc/26/08/20/861260820.db2.gz WJUVWWOANNFHSL-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001269859941 842111692 /nfs/dbraw/zinc/11/16/92/842111692.db2.gz ZXIJHSHJHBLBJY-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001270675231 842808377 /nfs/dbraw/zinc/80/83/77/842808377.db2.gz YWZCARXSVFKMQL-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001270705747 842835255 /nfs/dbraw/zinc/83/52/55/842835255.db2.gz XMTSMTKAUHHPTB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001270705747 842835263 /nfs/dbraw/zinc/83/52/63/842835263.db2.gz XMTSMTKAUHHPTB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001271102308 843212690 /nfs/dbraw/zinc/21/26/90/843212690.db2.gz ZAVOKJTWEHAPRE-ZDUSSCGKSA-N 2 1 301.381 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001271102308 843212699 /nfs/dbraw/zinc/21/26/99/843212699.db2.gz ZAVOKJTWEHAPRE-ZDUSSCGKSA-N 2 1 301.381 1.035 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326977969 861768341 /nfs/dbraw/zinc/76/83/41/861768341.db2.gz JXGBPGDVTZEYQY-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP N#CCCCN1CC[C@]2(CCC[N@H+]2CC2CC[NH2+]CC2)C1=O ZINC001273030925 847813580 /nfs/dbraw/zinc/81/35/80/847813580.db2.gz REBVVWWVRPWVNV-QGZVFWFLSA-N 2 1 304.438 1.357 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273039692 847826002 /nfs/dbraw/zinc/82/60/02/847826002.db2.gz SKSPWGNPXVFGNC-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[NH+]2C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC001273143091 848548940 /nfs/dbraw/zinc/54/89/40/848548940.db2.gz BISUZCNZXOEZJH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[NH+]2C[C@H]2CCC[N@H+](C)C2)C1=O ZINC001273143091 848548948 /nfs/dbraw/zinc/54/89/48/848548948.db2.gz BISUZCNZXOEZJH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[N@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001273143091 848548952 /nfs/dbraw/zinc/54/89/52/848548952.db2.gz BISUZCNZXOEZJH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@H]2CCC[NH+](C)C2)C1=O ZINC001273143091 848548963 /nfs/dbraw/zinc/54/89/63/848548963.db2.gz BISUZCNZXOEZJH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145963 848577831 /nfs/dbraw/zinc/57/78/31/848577831.db2.gz ZTTQJCMPOAWNHD-WMZOPIPTSA-N 2 1 318.465 1.556 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145963 848577839 /nfs/dbraw/zinc/57/78/39/848577839.db2.gz ZTTQJCMPOAWNHD-WMZOPIPTSA-N 2 1 318.465 1.556 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145963 848577843 /nfs/dbraw/zinc/57/78/43/848577843.db2.gz ZTTQJCMPOAWNHD-WMZOPIPTSA-N 2 1 318.465 1.556 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001273267686 849272389 /nfs/dbraw/zinc/27/23/89/849272389.db2.gz IMFRXLKXMPZQJK-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(Cc1cncn1C)C(=O)CO2 ZINC001273492407 851025999 /nfs/dbraw/zinc/02/59/99/851025999.db2.gz QBXRASYCNMVLDY-KRWDZBQOSA-N 2 1 318.421 1.190 20 30 DDEDMP C=CCCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273495208 851029857 /nfs/dbraw/zinc/02/98/57/851029857.db2.gz QKETUZCTGVFPJL-GOSISDBHSA-N 2 1 321.465 1.745 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150393869 862215193 /nfs/dbraw/zinc/21/51/93/862215193.db2.gz DZYAOZWOOMNMIZ-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150393869 862215210 /nfs/dbraw/zinc/21/52/10/862215210.db2.gz DZYAOZWOOMNMIZ-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001327539752 862251657 /nfs/dbraw/zinc/25/16/57/862251657.db2.gz DYKKIZBRXPKSST-IBGZPJMESA-N 2 1 317.477 1.810 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274654450 852488745 /nfs/dbraw/zinc/48/87/45/852488745.db2.gz DWUWLAGLVJFWOQ-WMZOPIPTSA-N 2 1 323.481 1.190 20 30 DDEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)cc1 ZINC001275132264 852828021 /nfs/dbraw/zinc/82/80/21/852828021.db2.gz POFSROSPLNXCGC-KDURUIRLSA-N 2 1 313.445 1.115 20 30 DDEDMP C#Cc1ccc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)cc1 ZINC001275132264 852828028 /nfs/dbraw/zinc/82/80/28/852828028.db2.gz POFSROSPLNXCGC-KDURUIRLSA-N 2 1 313.445 1.115 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001275413711 853087772 /nfs/dbraw/zinc/08/77/72/853087772.db2.gz MNUAOXKPSMEEID-ROUUACIJSA-N 2 1 316.424 1.908 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150706991 862425928 /nfs/dbraw/zinc/42/59/28/862425928.db2.gz RFKMFFVJJUCVDW-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150706991 862425934 /nfs/dbraw/zinc/42/59/34/862425934.db2.gz RFKMFFVJJUCVDW-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150706991 862425941 /nfs/dbraw/zinc/42/59/41/862425941.db2.gz RFKMFFVJJUCVDW-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001275786241 853747536 /nfs/dbraw/zinc/74/75/36/853747536.db2.gz GBMUDUGDVPPLBI-CALCHBBNSA-N 2 1 323.444 1.860 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001275786241 853747540 /nfs/dbraw/zinc/74/75/40/853747540.db2.gz GBMUDUGDVPPLBI-CALCHBBNSA-N 2 1 323.444 1.860 20 30 DDEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001275851373 853870529 /nfs/dbraw/zinc/87/05/29/853870529.db2.gz VXJPVNTZSYGIMU-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001275851373 853870532 /nfs/dbraw/zinc/87/05/32/853870532.db2.gz VXJPVNTZSYGIMU-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001006445279 855443388 /nfs/dbraw/zinc/44/33/88/855443388.db2.gz GQTBXNGUXYOXSY-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001328170968 862744954 /nfs/dbraw/zinc/74/49/54/862744954.db2.gz KKWJDSOHUXKRDK-INIZCTEOSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073462157 858357177 /nfs/dbraw/zinc/35/71/77/858357177.db2.gz NELLVIFFDNTHHS-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121773131 858593080 /nfs/dbraw/zinc/59/30/80/858593080.db2.gz OWRGWASNWJZXNK-JFPDKAJLSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CC[NH+]1CCC(OC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001123349408 859188793 /nfs/dbraw/zinc/18/87/93/859188793.db2.gz WXDLDFYDPCCBLX-UHFFFAOYSA-N 2 1 310.357 1.522 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001224535698 881434481 /nfs/dbraw/zinc/43/44/81/881434481.db2.gz IUNCVBJJWQUDJL-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001276979518 881439618 /nfs/dbraw/zinc/43/96/18/881439618.db2.gz ZPMPDHUBSZYREO-ALXJQNPVSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001325846941 860882115 /nfs/dbraw/zinc/88/21/15/860882115.db2.gz JQTPMGRIGNTGQS-BQFCYCMXSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001325846941 860882124 /nfs/dbraw/zinc/88/21/24/860882124.db2.gz JQTPMGRIGNTGQS-BQFCYCMXSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001325846941 860882129 /nfs/dbraw/zinc/88/21/29/860882129.db2.gz JQTPMGRIGNTGQS-BQFCYCMXSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001329693295 863795286 /nfs/dbraw/zinc/79/52/86/863795286.db2.gz HKBYCZHCSMGHOU-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001329693295 863795298 /nfs/dbraw/zinc/79/52/98/863795298.db2.gz HKBYCZHCSMGHOU-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083181 864394723 /nfs/dbraw/zinc/39/47/23/864394723.db2.gz LEXLKBIFQHROFH-OAHLLOKOSA-N 2 1 302.422 1.368 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001160103029 865680279 /nfs/dbraw/zinc/68/02/79/865680279.db2.gz IPTJLXROBGJAAH-UHFFFAOYSA-N 2 1 301.434 1.476 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001322998741 866253159 /nfs/dbraw/zinc/25/31/59/866253159.db2.gz CROHGAQTXVVITI-FUHWJXTLSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001322998744 866254323 /nfs/dbraw/zinc/25/43/23/866254323.db2.gz CROHGAQTXVVITI-SJLPKXTDSA-N 2 1 317.477 1.759 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001320260778 866595118 /nfs/dbraw/zinc/59/51/18/866595118.db2.gz BGAIYTMUJLRBGS-IAGOWNOFSA-N 2 1 323.481 1.426 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001323694527 866776435 /nfs/dbraw/zinc/77/64/35/866776435.db2.gz ZKWYZIAVOPMUNC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001324740928 867491455 /nfs/dbraw/zinc/49/14/55/867491455.db2.gz IOXKXPNMNHHBDW-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001166634178 870115490 /nfs/dbraw/zinc/11/54/90/870115490.db2.gz QAGXUUDXMVOSNE-ZDUSSCGKSA-N 2 1 320.462 1.700 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001316680078 871021658 /nfs/dbraw/zinc/02/16/58/871021658.db2.gz FAYQBKDPAUAPIM-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317546851 871042492 /nfs/dbraw/zinc/04/24/92/871042492.db2.gz KMHRJNLZCONLPH-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317546851 871042512 /nfs/dbraw/zinc/04/25/12/871042512.db2.gz KMHRJNLZCONLPH-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CCC[N@@H+](CC)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001317493148 871642646 /nfs/dbraw/zinc/64/26/46/871642646.db2.gz UKXXKEMEONNPTE-UHFFFAOYSA-N 2 1 301.434 1.823 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001318206846 871832549 /nfs/dbraw/zinc/83/25/49/871832549.db2.gz ZVOFZHJOICTHRB-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001318206846 871832564 /nfs/dbraw/zinc/83/25/64/871832564.db2.gz ZVOFZHJOICTHRB-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001318206846 871832577 /nfs/dbraw/zinc/83/25/77/871832577.db2.gz ZVOFZHJOICTHRB-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001317099504 871928671 /nfs/dbraw/zinc/92/86/71/871928671.db2.gz GFSVEUKQEOFKJD-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317099504 871928682 /nfs/dbraw/zinc/92/86/82/871928682.db2.gz GFSVEUKQEOFKJD-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317099504 871928695 /nfs/dbraw/zinc/92/86/95/871928695.db2.gz GFSVEUKQEOFKJD-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001318370027 871963820 /nfs/dbraw/zinc/96/38/20/871963820.db2.gz DKQVUAQLZLEAKQ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001318376406 871966423 /nfs/dbraw/zinc/96/64/23/871966423.db2.gz GTRYCKJHCIGRSL-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001318376406 871966430 /nfs/dbraw/zinc/96/64/30/871966430.db2.gz GTRYCKJHCIGRSL-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482812 872103710 /nfs/dbraw/zinc/10/37/10/872103710.db2.gz LXNRTWRKGCYQOU-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318482812 872103714 /nfs/dbraw/zinc/10/37/14/872103714.db2.gz LXNRTWRKGCYQOU-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318482812 872103728 /nfs/dbraw/zinc/10/37/28/872103728.db2.gz LXNRTWRKGCYQOU-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001206890616 872713636 /nfs/dbraw/zinc/71/36/36/872713636.db2.gz ZZKQXWJUXUZCOY-UHFFFAOYSA-N 2 1 311.470 1.359 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952251 872836637 /nfs/dbraw/zinc/83/66/37/872836637.db2.gz GLFXXMRUFYTQKO-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001226890928 882705191 /nfs/dbraw/zinc/70/51/91/882705191.db2.gz PWJIHAKESYLOCY-GVDBMIGSSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208331897 874021633 /nfs/dbraw/zinc/02/16/33/874021633.db2.gz YEZPXQYYFNYUSX-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474437 874172196 /nfs/dbraw/zinc/17/21/96/874172196.db2.gz KWOMIFLNADIPLJ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001208607527 874313777 /nfs/dbraw/zinc/31/37/77/874313777.db2.gz BIUCWYAVOOZRRO-KRWDZBQOSA-N 2 1 313.449 1.807 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001208607527 874313789 /nfs/dbraw/zinc/31/37/89/874313789.db2.gz BIUCWYAVOOZRRO-KRWDZBQOSA-N 2 1 313.449 1.807 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001208607527 874313803 /nfs/dbraw/zinc/31/38/03/874313803.db2.gz BIUCWYAVOOZRRO-KRWDZBQOSA-N 2 1 313.449 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC001350112192 875539854 /nfs/dbraw/zinc/53/98/54/875539854.db2.gz BFMWIKMHQHCAQM-IKGGRYGDSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC001350112192 875539860 /nfs/dbraw/zinc/53/98/60/875539860.db2.gz BFMWIKMHQHCAQM-IKGGRYGDSA-N 2 1 318.465 1.352 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213348816 875904573 /nfs/dbraw/zinc/90/45/73/875904573.db2.gz WFGDLCSWGWEDIQ-ARFHVFGLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801316 877059391 /nfs/dbraw/zinc/05/93/91/877059391.db2.gz LDSOFHOTLIGFQM-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801316 877059400 /nfs/dbraw/zinc/05/94/00/877059400.db2.gz LDSOFHOTLIGFQM-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC001353527985 877401513 /nfs/dbraw/zinc/40/15/13/877401513.db2.gz ZBOGMFUMJCJEFD-UHFFFAOYSA-N 2 1 317.458 1.705 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379569936 877418038 /nfs/dbraw/zinc/41/80/38/877418038.db2.gz BDVKAGAHCYZQCT-WMLDXEAASA-N 2 1 314.433 1.494 20 30 DDEDMP C=CCCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220484899 879057144 /nfs/dbraw/zinc/05/71/44/879057144.db2.gz ZEIYSNWTBKTYLX-KRWDZBQOSA-N 2 1 313.445 1.790 20 30 DDEDMP C=CCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220484899 879057160 /nfs/dbraw/zinc/05/71/60/879057160.db2.gz ZEIYSNWTBKTYLX-KRWDZBQOSA-N 2 1 313.445 1.790 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587831 879963382 /nfs/dbraw/zinc/96/33/82/879963382.db2.gz JZZTZPQEANNKRO-OWCLPIDISA-N 2 1 309.429 1.222 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587831 879963391 /nfs/dbraw/zinc/96/33/91/879963391.db2.gz JZZTZPQEANNKRO-OWCLPIDISA-N 2 1 309.429 1.222 20 30 DDEDMP C=CCOc1ccccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091548 880236819 /nfs/dbraw/zinc/23/68/19/880236819.db2.gz WWQZXBUFKBLURQ-UHFFFAOYSA-N 2 1 301.434 1.779 20 30 DDEDMP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001381053458 880928897 /nfs/dbraw/zinc/92/88/97/880928897.db2.gz HJLWDHURXBISDM-OAHLLOKOSA-N 2 1 317.861 1.024 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C[C@@H]21 ZINC001223698201 881063151 /nfs/dbraw/zinc/06/31/51/881063151.db2.gz XNUOOWSJZGUPSK-SQNIBIBYSA-N 2 1 319.493 1.909 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234401065 887937339 /nfs/dbraw/zinc/93/73/39/887937339.db2.gz ANIMUYYWTJEUFH-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234401065 887937344 /nfs/dbraw/zinc/93/73/44/887937344.db2.gz ANIMUYYWTJEUFH-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001278286178 890395083 /nfs/dbraw/zinc/39/50/83/890395083.db2.gz UCOYADRTDUTUHK-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C[C@]1([NH3+])CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001246531384 892681049 /nfs/dbraw/zinc/68/10/49/892681049.db2.gz QIGZEQKDEMIQSB-SFHVURJKSA-N 2 1 312.417 1.586 20 30 DDEDMP C[C@]1([NH3+])CC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001246531384 892681054 /nfs/dbraw/zinc/68/10/54/892681054.db2.gz QIGZEQKDEMIQSB-SFHVURJKSA-N 2 1 312.417 1.586 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001366392818 893420029 /nfs/dbraw/zinc/42/00/29/893420029.db2.gz YJDZIVCNUQMRBN-KRWDZBQOSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001366452329 893605841 /nfs/dbraw/zinc/60/58/41/893605841.db2.gz MUDMEZLJSKXKSD-YOEHRIQHSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001278511314 893780852 /nfs/dbraw/zinc/78/08/52/893780852.db2.gz TUJHPQGEHSVCQG-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001278511314 893780861 /nfs/dbraw/zinc/78/08/61/893780861.db2.gz TUJHPQGEHSVCQG-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001278511314 893780867 /nfs/dbraw/zinc/78/08/67/893780867.db2.gz TUJHPQGEHSVCQG-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccccc1C#N)[NH+](C)C ZINC001366638386 894392244 /nfs/dbraw/zinc/39/22/44/894392244.db2.gz LXXRMDOKHUWIRF-QGZVFWFLSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccccc1C#N)[NH+](C)C ZINC001366638386 894392258 /nfs/dbraw/zinc/39/22/58/894392258.db2.gz LXXRMDOKHUWIRF-QGZVFWFLSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001278653952 895040524 /nfs/dbraw/zinc/04/05/24/895040524.db2.gz QCLZJQYXHKWPMO-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001278653952 895040540 /nfs/dbraw/zinc/04/05/40/895040540.db2.gz QCLZJQYXHKWPMO-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278653952 895040559 /nfs/dbraw/zinc/04/05/59/895040559.db2.gz QCLZJQYXHKWPMO-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278653952 895040574 /nfs/dbraw/zinc/04/05/74/895040574.db2.gz QCLZJQYXHKWPMO-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001252472971 895189933 /nfs/dbraw/zinc/18/99/33/895189933.db2.gz DJNDNFCCQPWDMM-INIZCTEOSA-N 2 1 312.454 1.125 20 30 DDEDMP C=CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001278859550 896851136 /nfs/dbraw/zinc/85/11/36/896851136.db2.gz DCSHNOZXVLDBTR-OWCLPIDISA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001278859550 896851150 /nfs/dbraw/zinc/85/11/50/896851150.db2.gz DCSHNOZXVLDBTR-OWCLPIDISA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001278859550 896851164 /nfs/dbraw/zinc/85/11/64/896851164.db2.gz DCSHNOZXVLDBTR-OWCLPIDISA-N 2 1 311.470 1.044 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001390566404 899684161 /nfs/dbraw/zinc/68/41/61/899684161.db2.gz ZNMCVDPVAHAJMN-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001390719854 900013342 /nfs/dbraw/zinc/01/33/42/900013342.db2.gz QUEAEEMSGYFFAU-STQMWFEESA-N 2 1 320.462 1.556 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001264187495 901005713 /nfs/dbraw/zinc/00/57/13/901005713.db2.gz WMUSBIGXYQELED-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001265526047 902095368 /nfs/dbraw/zinc/09/53/68/902095368.db2.gz QDHVLNRXAZNFOY-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001265526047 902095373 /nfs/dbraw/zinc/09/53/73/902095373.db2.gz QDHVLNRXAZNFOY-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001265526047 902095376 /nfs/dbraw/zinc/09/53/76/902095376.db2.gz QDHVLNRXAZNFOY-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001282557867 905869391 /nfs/dbraw/zinc/86/93/91/905869391.db2.gz JUYNZGSSUANRAC-DLBZAZTESA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001282781604 906030678 /nfs/dbraw/zinc/03/06/78/906030678.db2.gz MGSQMPLJGOZRFO-GOSISDBHSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001282781604 906030691 /nfs/dbraw/zinc/03/06/91/906030691.db2.gz MGSQMPLJGOZRFO-GOSISDBHSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001282781604 906030701 /nfs/dbraw/zinc/03/07/01/906030701.db2.gz MGSQMPLJGOZRFO-GOSISDBHSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C(C)(C)C1 ZINC001282820751 906070656 /nfs/dbraw/zinc/07/06/56/906070656.db2.gz MMWXCRLNOZQINW-DZGCQCFKSA-N 2 1 302.422 1.438 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284155408 908562901 /nfs/dbraw/zinc/56/29/01/908562901.db2.gz UPWYBOLPGHRRAO-HOCLYGCPSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001284155408 908562912 /nfs/dbraw/zinc/56/29/12/908562912.db2.gz UPWYBOLPGHRRAO-HOCLYGCPSA-N 2 1 320.437 1.363 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001373304831 909467046 /nfs/dbraw/zinc/46/70/46/909467046.db2.gz SGVKDEOWHKGNFX-KGLIPLIRSA-N 2 1 301.862 1.859 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080836602 353633126 /nfs/dbraw/zinc/63/31/26/353633126.db2.gz OQDKMQPEMSAOGD-QGZVFWFLSA-N 2 1 318.465 1.982 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507789 356523998 /nfs/dbraw/zinc/52/39/98/356523998.db2.gz QUIXMDSSYBNRSP-NJAFHUGGSA-N 2 1 320.481 1.847 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598595412 357646286 /nfs/dbraw/zinc/64/62/86/357646286.db2.gz NRGDLONRXORNOD-HOTGVXAUSA-N 2 1 311.470 1.720 20 30 DDEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000598679779 357683691 /nfs/dbraw/zinc/68/36/91/357683691.db2.gz MXVSSLXREREQNC-KRWDZBQOSA-N 2 1 312.417 1.202 20 30 DDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318295 357890819 /nfs/dbraw/zinc/89/08/19/357890819.db2.gz WONPXMHHMZMOFX-CVEARBPZSA-N 2 1 309.454 1.331 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318295 357890826 /nfs/dbraw/zinc/89/08/26/357890826.db2.gz WONPXMHHMZMOFX-CVEARBPZSA-N 2 1 309.454 1.331 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318295 357890830 /nfs/dbraw/zinc/89/08/30/357890830.db2.gz WONPXMHHMZMOFX-CVEARBPZSA-N 2 1 309.454 1.331 20 30 DDEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600718801 358294146 /nfs/dbraw/zinc/29/41/46/358294146.db2.gz ATHWKLZOWMYGBM-RDJZCZTQSA-N 2 1 317.433 1.619 20 30 DDEDMP CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602334405 358935421 /nfs/dbraw/zinc/93/54/21/358935421.db2.gz RFWZNAJCPJDGRT-WMZOPIPTSA-N 2 1 314.433 1.469 20 30 DDEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000603109412 359408417 /nfs/dbraw/zinc/40/84/17/359408417.db2.gz AGLQEFZMFJARGJ-GOSISDBHSA-N 2 1 320.481 1.993 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603111397 359409573 /nfs/dbraw/zinc/40/95/73/359409573.db2.gz QAICAWHTOFTTDC-INIZCTEOSA-N 2 1 308.470 1.945 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000609600347 360331948 /nfs/dbraw/zinc/33/19/48/360331948.db2.gz KCJZURCKGAYAEL-DLBZAZTESA-N 2 1 317.433 1.376 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000609600347 360331952 /nfs/dbraw/zinc/33/19/52/360331952.db2.gz KCJZURCKGAYAEL-DLBZAZTESA-N 2 1 317.433 1.376 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(O)CCCC(C)(C)C1 ZINC000262806139 285284416 /nfs/dbraw/zinc/28/44/16/285284416.db2.gz SEIOSRRXYDDQDF-WMLDXEAASA-N 2 1 310.486 1.706 20 30 DDEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000131563372 407737995 /nfs/dbraw/zinc/73/79/95/407737995.db2.gz FFYFRVYISUFHRU-KRWDZBQOSA-N 2 1 304.438 1.439 20 30 DDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000328862088 409997258 /nfs/dbraw/zinc/99/72/58/409997258.db2.gz LZBKDTBAAOECNN-NFAWXSAZSA-N 2 1 317.437 1.606 20 30 DDEDMP CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428207 410181285 /nfs/dbraw/zinc/18/12/85/410181285.db2.gz PEOJRGWZQHHRAK-RDJZCZTQSA-N 2 1 306.454 1.412 20 30 DDEDMP C=C(C)CN(CC)C(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360926900 418547943 /nfs/dbraw/zinc/54/79/43/418547943.db2.gz LAQDZKICTARUGD-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000247983960 222233495 /nfs/dbraw/zinc/23/34/95/222233495.db2.gz IRCUVJLNHXCEMH-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP CN1CC[NH+]=C1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000262682569 222289658 /nfs/dbraw/zinc/28/96/58/222289658.db2.gz WYDRNJXEQAAWKR-MRXNPFEDSA-N 2 1 302.422 1.169 20 30 DDEDMP C[C@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)N1 ZINC000262681768 222289796 /nfs/dbraw/zinc/28/97/96/222289796.db2.gz WLVYYOZJMISNCH-SOUVJXGZSA-N 2 1 316.449 1.733 20 30 DDEDMP CN1CCC[NH+]=C1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000263173378 222305363 /nfs/dbraw/zinc/30/53/63/222305363.db2.gz SJICEWURYWEZPE-MRXNPFEDSA-N 2 1 302.422 1.034 20 30 DDEDMP CC(C)(C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000264128604 222322201 /nfs/dbraw/zinc/32/22/01/222322201.db2.gz SRSCFLSHIQOEFD-UHFFFAOYSA-N 2 1 304.438 1.722 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(OC)c1 ZINC000267434974 222385087 /nfs/dbraw/zinc/38/50/87/222385087.db2.gz NNCKOVNOUSGFRJ-GOEBONIOSA-N 2 1 320.437 1.117 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1 ZINC000267467574 222386937 /nfs/dbraw/zinc/38/69/37/222386937.db2.gz WVGLAKJJLJZVQQ-GJZGRUSLSA-N 2 1 304.438 1.843 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424140064 228234493 /nfs/dbraw/zinc/23/44/93/228234493.db2.gz AXPPVYMKDWGSGT-FZKCQIBNSA-N 2 1 322.453 1.108 20 30 DDEDMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000429689339 420038508 /nfs/dbraw/zinc/03/85/08/420038508.db2.gz NXGOCQLARPOHBF-USTZCAOPSA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@@H](O)C[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000429689339 420038512 /nfs/dbraw/zinc/03/85/12/420038512.db2.gz NXGOCQLARPOHBF-USTZCAOPSA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@@H](O)C[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000429689339 420038514 /nfs/dbraw/zinc/03/85/14/420038514.db2.gz NXGOCQLARPOHBF-USTZCAOPSA-N 2 1 308.466 1.460 20 30 DDEDMP CCN1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000420625175 420333906 /nfs/dbraw/zinc/33/39/06/420333906.db2.gz KMKWIUFDBXTIAQ-UHFFFAOYSA-N 2 1 313.449 1.950 20 30 DDEDMP CC[NH+]1CCC(N2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000420625175 420333908 /nfs/dbraw/zinc/33/39/08/420333908.db2.gz KMKWIUFDBXTIAQ-UHFFFAOYSA-N 2 1 313.449 1.950 20 30 DDEDMP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000420625175 420333911 /nfs/dbraw/zinc/33/39/11/420333911.db2.gz KMKWIUFDBXTIAQ-UHFFFAOYSA-N 2 1 313.449 1.950 20 30 DDEDMP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000420625175 420333912 /nfs/dbraw/zinc/33/39/12/420333912.db2.gz KMKWIUFDBXTIAQ-UHFFFAOYSA-N 2 1 313.449 1.950 20 30 DDEDMP C=CCCn1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nn1 ZINC000657368408 424314536 /nfs/dbraw/zinc/31/45/36/424314536.db2.gz WHNXTIFRMIZRAR-IYBDPMFKSA-N 2 1 321.469 1.833 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000362724269 275382236 /nfs/dbraw/zinc/38/22/36/275382236.db2.gz KCYCRVWDHVIKJC-SFHVURJKSA-N 2 1 311.429 1.635 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000362724269 275382237 /nfs/dbraw/zinc/38/22/37/275382237.db2.gz KCYCRVWDHVIKJC-SFHVURJKSA-N 2 1 311.429 1.635 20 30 DDEDMP C[C@H]1CN(C(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000262502087 278390901 /nfs/dbraw/zinc/39/09/01/278390901.db2.gz YQKSHCRMHIJFAN-KBPBESRZSA-N 2 1 306.410 1.452 20 30 DDEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCC[NH2+]CC3)C2=O)cc1 ZINC000333266127 279519742 /nfs/dbraw/zinc/51/97/42/279519742.db2.gz JLYZZWRTLPDTHS-DOTOQJQBSA-N 2 1 312.417 1.785 20 30 DDEDMP CC[C@H]1C[NH+](C)CCN1CC#CCN1CC[N@H+](C)C[C@@H]1CC ZINC000516280562 338009686 /nfs/dbraw/zinc/00/96/86/338009686.db2.gz BWMJEPMTVAXLSG-ROUUACIJSA-N 2 1 306.498 1.042 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CSCC#N)CC1 ZINC000516624207 340344424 /nfs/dbraw/zinc/34/44/24/340344424.db2.gz KUZKKEFFINBHEU-UHFFFAOYSA-N 2 1 305.407 1.029 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000245437647 341293999 /nfs/dbraw/zinc/29/39/99/341293999.db2.gz RPEGAIMQTABRKI-UKPHBRMFSA-N 2 1 306.454 1.457 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000491667904 526802166 /nfs/dbraw/zinc/80/21/66/526802166.db2.gz YJWOVFQMKUNFMC-UHFFFAOYSA-N 2 1 304.394 1.595 20 30 DDEDMP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000330296468 527814533 /nfs/dbraw/zinc/81/45/33/527814533.db2.gz KETIFWLZLIQMLI-ZNMIVQPWSA-N 2 1 319.453 1.774 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000330296468 527814538 /nfs/dbraw/zinc/81/45/38/527814538.db2.gz KETIFWLZLIQMLI-ZNMIVQPWSA-N 2 1 319.453 1.774 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@H]2C1 ZINC000980274177 696724962 /nfs/dbraw/zinc/72/49/62/696724962.db2.gz MIHWOGSAEWHNDB-JYJNAYRXSA-N 2 1 302.422 1.676 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577396 695688854 /nfs/dbraw/zinc/68/88/54/695688854.db2.gz MWFGTNBTBZTTLI-CVEARBPZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978154266 696333154 /nfs/dbraw/zinc/33/31/54/696333154.db2.gz JWFKSHUDBGPSJY-SMLCLMEVSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978154266 696333158 /nfs/dbraw/zinc/33/31/58/696333158.db2.gz JWFKSHUDBGPSJY-SMLCLMEVSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978154266 696333160 /nfs/dbraw/zinc/33/31/60/696333160.db2.gz JWFKSHUDBGPSJY-SMLCLMEVSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978278625 696356828 /nfs/dbraw/zinc/35/68/28/696356828.db2.gz VICYAQZKJZWDDB-JONQDZQNSA-N 2 1 314.433 1.631 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978278625 696356829 /nfs/dbraw/zinc/35/68/29/696356829.db2.gz VICYAQZKJZWDDB-JONQDZQNSA-N 2 1 314.433 1.631 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(=C)C)C[C@H]32)CC1 ZINC000979086379 696493554 /nfs/dbraw/zinc/49/35/54/696493554.db2.gz IHASSHMFQUXXDJ-NNZMDNLPSA-N 2 1 315.461 1.202 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000085123685 696562494 /nfs/dbraw/zinc/56/24/94/696562494.db2.gz WEYXEFRTIKVUMB-AWEZNQCLSA-N 2 1 308.470 1.473 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000085123685 696562495 /nfs/dbraw/zinc/56/24/95/696562495.db2.gz WEYXEFRTIKVUMB-AWEZNQCLSA-N 2 1 308.470 1.473 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(C)C)C2)CC1 ZINC000980477337 696782784 /nfs/dbraw/zinc/78/27/84/696782784.db2.gz DNIKLVMDGSFMBG-KRWDZBQOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981687880 696875951 /nfs/dbraw/zinc/87/59/51/696875951.db2.gz RWCDNSKASMUFKB-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981801204 696921756 /nfs/dbraw/zinc/92/17/56/696921756.db2.gz PUZOERINGPQAST-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801204 696921758 /nfs/dbraw/zinc/92/17/58/696921758.db2.gz PUZOERINGPQAST-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801204 696921760 /nfs/dbraw/zinc/92/17/60/696921760.db2.gz PUZOERINGPQAST-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CCC(O)CC1 ZINC000155789157 696953700 /nfs/dbraw/zinc/95/37/00/696953700.db2.gz BAQZANHDTVHXLS-INIZCTEOSA-N 2 1 324.513 1.777 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959375 696985726 /nfs/dbraw/zinc/98/57/26/696985726.db2.gz MEHCDGBCGVZJOX-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981959375 696985729 /nfs/dbraw/zinc/98/57/29/696985729.db2.gz MEHCDGBCGVZJOX-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982052429 697015765 /nfs/dbraw/zinc/01/57/65/697015765.db2.gz JWTJKAKODUTMPO-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CC)C3)CC1 ZINC000982162286 697045897 /nfs/dbraw/zinc/04/58/97/697045897.db2.gz LZKCDHTZDFMNQS-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982276285 697081535 /nfs/dbraw/zinc/08/15/35/697081535.db2.gz QQDUYMHGDNANTQ-QRQLOZEOSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276285 697081537 /nfs/dbraw/zinc/08/15/37/697081537.db2.gz QQDUYMHGDNANTQ-QRQLOZEOSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276285 697081538 /nfs/dbraw/zinc/08/15/38/697081538.db2.gz QQDUYMHGDNANTQ-QRQLOZEOSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279901 697082113 /nfs/dbraw/zinc/08/21/13/697082113.db2.gz LXKJUUDDFFVQPD-QRQLOZEOSA-N 2 1 315.461 1.132 20 30 DDEDMP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000171408545 697357684 /nfs/dbraw/zinc/35/76/84/697357684.db2.gz XVFMHPZEIYKMQR-OAHLLOKOSA-N 2 1 308.426 1.301 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000985540804 697527004 /nfs/dbraw/zinc/52/70/04/697527004.db2.gz VHCUWRWRLDJKRA-UHFFFAOYSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000985540804 697527005 /nfs/dbraw/zinc/52/70/05/697527005.db2.gz VHCUWRWRLDJKRA-UHFFFAOYSA-N 2 1 314.433 1.318 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@](C)(O)c1ccccc1 ZINC000249428157 698391940 /nfs/dbraw/zinc/39/19/40/698391940.db2.gz GIMVRTFRVXKLKM-SJLPKXTDSA-N 2 1 318.465 1.673 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N(C)c1ccccc1 ZINC000303874834 698608544 /nfs/dbraw/zinc/60/85/44/698608544.db2.gz DDGRXUHQBLCIHM-RDJZCZTQSA-N 2 1 317.481 1.900 20 30 DDEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000303983895 698612695 /nfs/dbraw/zinc/61/26/95/698612695.db2.gz RNLJEDXHRLFADI-UHFFFAOYSA-N 2 1 317.481 1.161 20 30 DDEDMP CN1CCC[N@H+](CCCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000303983895 698612696 /nfs/dbraw/zinc/61/26/96/698612696.db2.gz RNLJEDXHRLFADI-UHFFFAOYSA-N 2 1 317.481 1.161 20 30 DDEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000303983895 698612699 /nfs/dbraw/zinc/61/26/99/698612699.db2.gz RNLJEDXHRLFADI-UHFFFAOYSA-N 2 1 317.481 1.161 20 30 DDEDMP CCO[C@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)C ZINC000304639263 698622464 /nfs/dbraw/zinc/62/24/64/698622464.db2.gz BXORZMRWWJANGD-OAHLLOKOSA-N 2 1 314.474 1.064 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989616471 698695751 /nfs/dbraw/zinc/69/57/51/698695751.db2.gz WIKGGQQTPQGFCZ-HIFRSBDPSA-N 2 1 309.373 1.093 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990761190 699152726 /nfs/dbraw/zinc/15/27/26/699152726.db2.gz IBSMPYPTDGFIPW-ZMMAXQRCSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990761190 699152729 /nfs/dbraw/zinc/15/27/29/699152729.db2.gz IBSMPYPTDGFIPW-ZMMAXQRCSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990761190 699152732 /nfs/dbraw/zinc/15/27/32/699152732.db2.gz IBSMPYPTDGFIPW-ZMMAXQRCSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000764327804 700967309 /nfs/dbraw/zinc/96/73/09/700967309.db2.gz YOBVPUPRRXEBDJ-HNNXBMFYSA-N 2 1 309.479 1.028 20 30 DDEDMP CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000867960142 701855683 /nfs/dbraw/zinc/85/56/83/701855683.db2.gz HMOQMLOODYDFGT-FUHWJXTLSA-N 2 1 324.428 1.440 20 30 DDEDMP CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000867960142 701855688 /nfs/dbraw/zinc/85/56/88/701855688.db2.gz HMOQMLOODYDFGT-FUHWJXTLSA-N 2 1 324.428 1.440 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000879578061 706725632 /nfs/dbraw/zinc/72/56/32/706725632.db2.gz AQDAMHLPQLBQON-BZUAXINKSA-N 2 1 307.438 1.084 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000879578061 706725634 /nfs/dbraw/zinc/72/56/34/706725634.db2.gz AQDAMHLPQLBQON-BZUAXINKSA-N 2 1 307.438 1.084 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000879578061 706725636 /nfs/dbraw/zinc/72/56/36/706725636.db2.gz AQDAMHLPQLBQON-BZUAXINKSA-N 2 1 307.438 1.084 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)CC[C@H]21 ZINC000879578061 706725638 /nfs/dbraw/zinc/72/56/38/706725638.db2.gz AQDAMHLPQLBQON-BZUAXINKSA-N 2 1 307.438 1.084 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000847257181 703391873 /nfs/dbraw/zinc/39/18/73/703391873.db2.gz VDNNQOHVNAOZIY-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876721597 705838725 /nfs/dbraw/zinc/83/87/25/705838725.db2.gz VXCGMQNKTVEPOG-ZDUSSCGKSA-N 2 1 319.796 1.662 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000876941325 705932257 /nfs/dbraw/zinc/93/22/57/705932257.db2.gz KHALACKGBVYJOL-UONOGXRCSA-N 2 1 317.861 1.416 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000876941325 705932259 /nfs/dbraw/zinc/93/22/59/705932259.db2.gz KHALACKGBVYJOL-UONOGXRCSA-N 2 1 317.861 1.416 20 30 DDEDMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155660 706308985 /nfs/dbraw/zinc/30/89/85/706308985.db2.gz RRTCSGLUWKTJGV-INIZCTEOSA-N 2 1 310.438 1.681 20 30 DDEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1coc(C#N)c1 ZINC000865799658 706530048 /nfs/dbraw/zinc/53/00/48/706530048.db2.gz RNQXJMFBBJVUEU-UHFFFAOYSA-N 2 1 304.394 1.249 20 30 DDEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1coc(C#N)c1 ZINC000865799658 706530051 /nfs/dbraw/zinc/53/00/51/706530051.db2.gz RNQXJMFBBJVUEU-UHFFFAOYSA-N 2 1 304.394 1.249 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000836346290 707443681 /nfs/dbraw/zinc/44/36/81/707443681.db2.gz QDTXIKOKOWFUAU-FUHWJXTLSA-N 2 1 322.497 1.751 20 30 DDEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884201021 708186545 /nfs/dbraw/zinc/18/65/45/708186545.db2.gz ORSAQHZBTXIOOI-HJODHOHWSA-N 2 1 318.465 1.362 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000884201808 708186625 /nfs/dbraw/zinc/18/66/25/708186625.db2.gz HPZJYYNXQSJHKH-ZACQAIPSSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000884201808 708186628 /nfs/dbraw/zinc/18/66/28/708186628.db2.gz HPZJYYNXQSJHKH-ZACQAIPSSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000884201808 708186630 /nfs/dbraw/zinc/18/66/30/708186630.db2.gz HPZJYYNXQSJHKH-ZACQAIPSSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000884201808 708186632 /nfs/dbraw/zinc/18/66/32/708186632.db2.gz HPZJYYNXQSJHKH-ZACQAIPSSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000884209196 708190902 /nfs/dbraw/zinc/19/09/02/708190902.db2.gz UJTYMXIDJMPHLC-QGZVFWFLSA-N 2 1 322.497 1.892 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000884209196 708190904 /nfs/dbraw/zinc/19/09/04/708190904.db2.gz UJTYMXIDJMPHLC-QGZVFWFLSA-N 2 1 322.497 1.892 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898585693 708797926 /nfs/dbraw/zinc/79/79/26/708797926.db2.gz CXFOEWRVVMRZOV-UHFFFAOYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000914337886 713380892 /nfs/dbraw/zinc/38/08/92/713380892.db2.gz QOKFZIDUJTWZPM-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000921436429 713770473 /nfs/dbraw/zinc/77/04/73/713770473.db2.gz VHBYWHJNRNAVKY-RHSMWYFYSA-N 2 1 318.465 1.208 20 30 DDEDMP C#CCN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000922854377 714167830 /nfs/dbraw/zinc/16/78/30/714167830.db2.gz WOCVNHMHFQLIRE-MRXNPFEDSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926489284 715075794 /nfs/dbraw/zinc/07/57/94/715075794.db2.gz GAKSMNGNQZTWGB-FUHWJXTLSA-N 2 1 302.466 1.984 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)nn1C ZINC000926489284 715075798 /nfs/dbraw/zinc/07/57/98/715075798.db2.gz GAKSMNGNQZTWGB-FUHWJXTLSA-N 2 1 302.466 1.984 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164875 717119859 /nfs/dbraw/zinc/11/98/59/717119859.db2.gz YIRWKDXOMFFPFP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164875 717119861 /nfs/dbraw/zinc/11/98/61/717119861.db2.gz YIRWKDXOMFFPFP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164875 717119862 /nfs/dbraw/zinc/11/98/62/717119862.db2.gz YIRWKDXOMFFPFP-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942256343 717580032 /nfs/dbraw/zinc/58/00/32/717580032.db2.gz DMJVFNQOCNBPGE-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943289964 718069137 /nfs/dbraw/zinc/06/91/37/718069137.db2.gz ULBMNLDQMMFVMH-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943289964 718069138 /nfs/dbraw/zinc/06/91/38/718069138.db2.gz ULBMNLDQMMFVMH-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264338 718803679 /nfs/dbraw/zinc/80/36/79/718803679.db2.gz JNVAHOQHFGIBJL-RHSMWYFYSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779119 718905845 /nfs/dbraw/zinc/90/58/45/718905845.db2.gz GWQRAXDNHKUOAL-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779119 718905847 /nfs/dbraw/zinc/90/58/47/718905847.db2.gz GWQRAXDNHKUOAL-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779119 718905850 /nfs/dbraw/zinc/90/58/50/718905850.db2.gz GWQRAXDNHKUOAL-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861549 718929357 /nfs/dbraw/zinc/92/93/57/718929357.db2.gz SZDKQOPQBLINSE-IYBDPMFKSA-N 2 1 303.450 1.439 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497571 719187243 /nfs/dbraw/zinc/18/72/43/719187243.db2.gz JPUVQQZQKLXMIE-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C[C@@H]1C ZINC000947771453 719265608 /nfs/dbraw/zinc/26/56/08/719265608.db2.gz LSIIYLJZBOYCEO-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771453 719265610 /nfs/dbraw/zinc/26/56/10/719265610.db2.gz LSIIYLJZBOYCEO-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459861 719598574 /nfs/dbraw/zinc/59/85/74/719598574.db2.gz OTUNXMMAYVNMFU-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948705606 719659468 /nfs/dbraw/zinc/65/94/68/719659468.db2.gz IFUKURPGNTWRAO-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948705606 719659472 /nfs/dbraw/zinc/65/94/72/719659472.db2.gz IFUKURPGNTWRAO-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948705606 719659473 /nfs/dbraw/zinc/65/94/73/719659473.db2.gz IFUKURPGNTWRAO-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948705606 719659478 /nfs/dbraw/zinc/65/94/78/719659478.db2.gz IFUKURPGNTWRAO-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)CC[C@H]2C)CC1 ZINC000968682608 719733807 /nfs/dbraw/zinc/73/38/07/719733807.db2.gz SQNDEVSXNFWRCF-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968858490 719827842 /nfs/dbraw/zinc/82/78/42/719827842.db2.gz GSBVDPAYARMNDK-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832875 720525420 /nfs/dbraw/zinc/52/54/20/720525420.db2.gz KDRCOAPPGWJPBR-YOEHRIQHSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420040 720754844 /nfs/dbraw/zinc/75/48/44/720754844.db2.gz JWEAGQUMCUYVFD-ZFWWWQNUSA-N 2 1 314.433 1.214 20 30 DDEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970655269 720872341 /nfs/dbraw/zinc/87/23/41/720872341.db2.gz QYCBJRPZCWHLEN-CYBMUJFWSA-N 2 1 311.389 1.503 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027652360 738514564 /nfs/dbraw/zinc/51/45/64/738514564.db2.gz RCNSGXOCUMZOEO-CQSZACIVSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC=C)C2)CC1 ZINC001027692815 738556785 /nfs/dbraw/zinc/55/67/85/738556785.db2.gz APUMJIXECMMUOU-KRWDZBQOSA-N 2 1 303.450 1.440 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236291 732851762 /nfs/dbraw/zinc/85/17/62/732851762.db2.gz JLZJSEVJUIRZNA-HZPDHXFCSA-N 2 1 323.481 1.263 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001039157524 732945049 /nfs/dbraw/zinc/94/50/49/732945049.db2.gz DOCBNDZKMJYQFP-SFHVURJKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172979 733082113 /nfs/dbraw/zinc/08/21/13/733082113.db2.gz KGFIYQYJLIGLIX-SJORKVTESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172979 733082116 /nfs/dbraw/zinc/08/21/16/733082116.db2.gz KGFIYQYJLIGLIX-SJORKVTESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172979 733082120 /nfs/dbraw/zinc/08/21/20/733082120.db2.gz KGFIYQYJLIGLIX-SJORKVTESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001021285088 733107717 /nfs/dbraw/zinc/10/77/17/733107717.db2.gz BSKXQSPBBOXNDO-HMQMGEFJSA-N 2 1 321.440 1.555 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001021285088 733107719 /nfs/dbraw/zinc/10/77/19/733107719.db2.gz BSKXQSPBBOXNDO-HMQMGEFJSA-N 2 1 321.440 1.555 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001021285088 733107721 /nfs/dbraw/zinc/10/77/21/733107721.db2.gz BSKXQSPBBOXNDO-HMQMGEFJSA-N 2 1 321.440 1.555 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCF ZINC001021285088 733107723 /nfs/dbraw/zinc/10/77/23/733107723.db2.gz BSKXQSPBBOXNDO-HMQMGEFJSA-N 2 1 321.440 1.555 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCF ZINC001021285088 733107726 /nfs/dbraw/zinc/10/77/26/733107726.db2.gz BSKXQSPBBOXNDO-HMQMGEFJSA-N 2 1 321.440 1.555 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604669 733362713 /nfs/dbraw/zinc/36/27/13/733362713.db2.gz FWZVTSTZXIAPLV-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604669 733362719 /nfs/dbraw/zinc/36/27/19/733362719.db2.gz FWZVTSTZXIAPLV-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604669 733362723 /nfs/dbraw/zinc/36/27/23/733362723.db2.gz FWZVTSTZXIAPLV-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021692510 733454842 /nfs/dbraw/zinc/45/48/42/733454842.db2.gz ULRCXCCBENWUPQ-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021692510 733454845 /nfs/dbraw/zinc/45/48/45/733454845.db2.gz ULRCXCCBENWUPQ-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736649 733495971 /nfs/dbraw/zinc/49/59/71/733495971.db2.gz NUINTBZSWHZBJB-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736649 733495974 /nfs/dbraw/zinc/49/59/74/733495974.db2.gz NUINTBZSWHZBJB-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021741002 733501986 /nfs/dbraw/zinc/50/19/86/733501986.db2.gz XXZCHYNUYYBBOV-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886931 738774877 /nfs/dbraw/zinc/77/48/77/738774877.db2.gz DIFHQJHVAWSIPR-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001022198806 734430570 /nfs/dbraw/zinc/43/05/70/734430570.db2.gz QYVVUURIUPABLO-KFWWJZLASA-N 2 1 313.873 1.954 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027924985 738817879 /nfs/dbraw/zinc/81/78/79/738817879.db2.gz OUAFYSSCINLYBF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027924985 738817882 /nfs/dbraw/zinc/81/78/82/738817882.db2.gz OUAFYSSCINLYBF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027924985 738817885 /nfs/dbraw/zinc/81/78/85/738817885.db2.gz OUAFYSSCINLYBF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP COCC#CC[NH2+]CCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001167588152 734774379 /nfs/dbraw/zinc/77/43/79/734774379.db2.gz DNTGVEGCSQSHHH-UHFFFAOYSA-N 2 1 320.437 1.142 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023380572 735204288 /nfs/dbraw/zinc/20/42/88/735204288.db2.gz CHDUAUAZFKLWEP-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023380572 735204289 /nfs/dbraw/zinc/20/42/89/735204289.db2.gz CHDUAUAZFKLWEP-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023380572 735204290 /nfs/dbraw/zinc/20/42/90/735204290.db2.gz CHDUAUAZFKLWEP-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023402176 735210175 /nfs/dbraw/zinc/21/01/75/735210175.db2.gz HKKHTYFQYZBCDH-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402176 735210177 /nfs/dbraw/zinc/21/01/77/735210177.db2.gz HKKHTYFQYZBCDH-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023467099 735255001 /nfs/dbraw/zinc/25/50/01/735255001.db2.gz XDIKVFVIKMZVMH-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001024517327 735895427 /nfs/dbraw/zinc/89/54/27/735895427.db2.gz SQKIVMPKVKBEEW-CVEARBPZSA-N 2 1 316.449 1.992 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001024615778 735986341 /nfs/dbraw/zinc/98/63/41/735986341.db2.gz HPDRBVCTSYUDBP-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024615778 735986344 /nfs/dbraw/zinc/98/63/44/735986344.db2.gz HPDRBVCTSYUDBP-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024615778 735986348 /nfs/dbraw/zinc/98/63/48/735986348.db2.gz HPDRBVCTSYUDBP-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001024814779 736105750 /nfs/dbraw/zinc/10/57/50/736105750.db2.gz XTVBNNYEAQBZFL-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024814779 736105755 /nfs/dbraw/zinc/10/57/55/736105755.db2.gz XTVBNNYEAQBZFL-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024814779 736105758 /nfs/dbraw/zinc/10/57/58/736105758.db2.gz XTVBNNYEAQBZFL-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024814779 736105760 /nfs/dbraw/zinc/10/57/60/736105760.db2.gz XTVBNNYEAQBZFL-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001025630085 736796297 /nfs/dbraw/zinc/79/62/97/736796297.db2.gz OUQKOWVUKKMKHH-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC)C2)CC1 ZINC001025630604 736796360 /nfs/dbraw/zinc/79/63/60/736796360.db2.gz UOGCLVHEECFZBN-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001032581296 751388488 /nfs/dbraw/zinc/38/84/88/751388488.db2.gz PNBDFYZGZDZIJD-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026139819 737140089 /nfs/dbraw/zinc/14/00/89/737140089.db2.gz URQWIDXDDZNVQQ-MTSZKFMLSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504995 738356381 /nfs/dbraw/zinc/35/63/81/738356381.db2.gz IZFRCLZYPVZQOX-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542350 739648219 /nfs/dbraw/zinc/64/82/19/739648219.db2.gz OHIUWLHRBQITFT-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542350 739648222 /nfs/dbraw/zinc/64/82/22/739648222.db2.gz OHIUWLHRBQITFT-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542350 739648224 /nfs/dbraw/zinc/64/82/24/739648224.db2.gz OHIUWLHRBQITFT-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001028603686 739781693 /nfs/dbraw/zinc/78/16/93/739781693.db2.gz HFFQRKFQGQMDON-MJQCEFOHSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001028603686 739781696 /nfs/dbraw/zinc/78/16/96/739781696.db2.gz HFFQRKFQGQMDON-MJQCEFOHSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001028603686 739781697 /nfs/dbraw/zinc/78/16/97/739781697.db2.gz HFFQRKFQGQMDON-MJQCEFOHSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C/C=C\Cl)C1 ZINC001028603686 739781698 /nfs/dbraw/zinc/78/16/98/739781698.db2.gz HFFQRKFQGQMDON-MJQCEFOHSA-N 2 1 309.841 1.275 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001028640329 739833014 /nfs/dbraw/zinc/83/30/14/739833014.db2.gz MKEKSFWYBIGANE-LSDHHAIUSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028640329 739833019 /nfs/dbraw/zinc/83/30/19/739833019.db2.gz MKEKSFWYBIGANE-LSDHHAIUSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028640329 739833025 /nfs/dbraw/zinc/83/30/25/739833025.db2.gz MKEKSFWYBIGANE-LSDHHAIUSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028766191 740010975 /nfs/dbraw/zinc/01/09/75/740010975.db2.gz NYXADOVSZRZVDR-CQSZACIVSA-N 2 1 305.422 1.969 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC001028903291 740158345 /nfs/dbraw/zinc/15/83/45/740158345.db2.gz QRRVWWSZBZXYJE-MRXNPFEDSA-N 2 1 322.412 1.947 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001037868618 751520516 /nfs/dbraw/zinc/52/05/16/751520516.db2.gz BUJSRSSOGDPSGB-HIFRSBDPSA-N 2 1 318.421 1.200 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784818 740472651 /nfs/dbraw/zinc/47/26/51/740472651.db2.gz IPVVDRRIMWZWOM-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784818 740472654 /nfs/dbraw/zinc/47/26/54/740472654.db2.gz IPVVDRRIMWZWOM-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035537068 751582607 /nfs/dbraw/zinc/58/26/07/751582607.db2.gz LCMNHYYZBFKYPQ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035537068 751582610 /nfs/dbraw/zinc/58/26/10/751582610.db2.gz LCMNHYYZBFKYPQ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537068 751582612 /nfs/dbraw/zinc/58/26/12/751582612.db2.gz LCMNHYYZBFKYPQ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537068 751582615 /nfs/dbraw/zinc/58/26/15/751582615.db2.gz LCMNHYYZBFKYPQ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088002375 740941116 /nfs/dbraw/zinc/94/11/16/740941116.db2.gz BZVVAUMRCKIFQX-IKGGRYGDSA-N 2 1 305.466 1.376 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@@H]2C1 ZINC001088080698 741005386 /nfs/dbraw/zinc/00/53/86/741005386.db2.gz KAKPKTXUSCLCEW-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080698 741005391 /nfs/dbraw/zinc/00/53/91/741005391.db2.gz KAKPKTXUSCLCEW-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080698 741005394 /nfs/dbraw/zinc/00/53/94/741005394.db2.gz KAKPKTXUSCLCEW-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080698 741005398 /nfs/dbraw/zinc/00/53/98/741005398.db2.gz KAKPKTXUSCLCEW-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]2C1 ZINC001088080698 741005404 /nfs/dbraw/zinc/00/54/04/741005404.db2.gz KAKPKTXUSCLCEW-IXDOHACOSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815288 742438729 /nfs/dbraw/zinc/43/87/29/742438729.db2.gz HVTRLURMKORPNP-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815288 742438730 /nfs/dbraw/zinc/43/87/30/742438730.db2.gz HVTRLURMKORPNP-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815288 742438731 /nfs/dbraw/zinc/43/87/31/742438731.db2.gz HVTRLURMKORPNP-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815288 742438732 /nfs/dbraw/zinc/43/87/32/742438732.db2.gz HVTRLURMKORPNP-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174596 742584406 /nfs/dbraw/zinc/58/44/06/742584406.db2.gz SESAOAABFZAHNO-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174596 742584407 /nfs/dbraw/zinc/58/44/07/742584407.db2.gz SESAOAABFZAHNO-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174596 742584409 /nfs/dbraw/zinc/58/44/09/742584409.db2.gz SESAOAABFZAHNO-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174596 742584412 /nfs/dbraw/zinc/58/44/12/742584412.db2.gz SESAOAABFZAHNO-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076324048 742667114 /nfs/dbraw/zinc/66/71/14/742667114.db2.gz LFROIJZJJXGWNW-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076594466 742808356 /nfs/dbraw/zinc/80/83/56/742808356.db2.gz NQQWVPOMOQGSQO-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076594466 742808359 /nfs/dbraw/zinc/80/83/59/742808359.db2.gz NQQWVPOMOQGSQO-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594466 742808369 /nfs/dbraw/zinc/80/83/69/742808369.db2.gz NQQWVPOMOQGSQO-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594466 742808370 /nfs/dbraw/zinc/80/83/70/742808370.db2.gz NQQWVPOMOQGSQO-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181729125 743312121 /nfs/dbraw/zinc/31/21/21/743312121.db2.gz WGUDBBUGAGUUKE-ZIFCJYIRSA-N 2 1 319.493 1.957 20 30 DDEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181823226 743354467 /nfs/dbraw/zinc/35/44/67/743354467.db2.gz ZDVFBZCRGIQMEU-CVEARBPZSA-N 2 1 311.470 1.478 20 30 DDEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181823226 743354475 /nfs/dbraw/zinc/35/44/75/743354475.db2.gz ZDVFBZCRGIQMEU-CVEARBPZSA-N 2 1 311.470 1.478 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001183353876 743821170 /nfs/dbraw/zinc/82/11/70/743821170.db2.gz FLTCJODETFPARX-KSZLIROESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001183353876 743821174 /nfs/dbraw/zinc/82/11/74/743821174.db2.gz FLTCJODETFPARX-KSZLIROESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001184608950 744070953 /nfs/dbraw/zinc/07/09/53/744070953.db2.gz FVBZZSUGBMUODX-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184810744 744105838 /nfs/dbraw/zinc/10/58/38/744105838.db2.gz REYGOPOYLPTQGX-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185681768 744266594 /nfs/dbraw/zinc/26/65/94/744266594.db2.gz MPFXCQWNBCWJKH-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001187291370 744535293 /nfs/dbraw/zinc/53/52/93/744535293.db2.gz PJXMKEPKRJDPOY-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189478440 744897826 /nfs/dbraw/zinc/89/78/26/744897826.db2.gz UREAMIXCAULUBO-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001190282315 745177188 /nfs/dbraw/zinc/17/71/88/745177188.db2.gz PLWOAIJWJQOGMG-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001190282315 745177189 /nfs/dbraw/zinc/17/71/89/745177189.db2.gz PLWOAIJWJQOGMG-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001190282315 745177191 /nfs/dbraw/zinc/17/71/91/745177191.db2.gz PLWOAIJWJQOGMG-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001190282315 745177192 /nfs/dbraw/zinc/17/71/92/745177192.db2.gz PLWOAIJWJQOGMG-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106266603 745494040 /nfs/dbraw/zinc/49/40/40/745494040.db2.gz SNSCHENHUAGCAS-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CC2)[C@H](C)C1 ZINC001106266603 745494043 /nfs/dbraw/zinc/49/40/43/745494043.db2.gz SNSCHENHUAGCAS-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355246 745765694 /nfs/dbraw/zinc/76/56/94/745765694.db2.gz QEWWNUAALBCJFM-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355246 745765698 /nfs/dbraw/zinc/76/56/98/745765698.db2.gz QEWWNUAALBCJFM-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP COCC#CCN(C)[C@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001192577388 745828851 /nfs/dbraw/zinc/82/88/51/745828851.db2.gz GEKQZILCMMFZHB-CVEARBPZSA-N 2 1 318.421 1.017 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666309 745885432 /nfs/dbraw/zinc/88/54/32/745885432.db2.gz JYMAYHPNTSRTGH-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106669193 745890234 /nfs/dbraw/zinc/89/02/34/745890234.db2.gz ZLDGQCHZPRVSMM-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192865541 745908224 /nfs/dbraw/zinc/90/82/24/745908224.db2.gz CJEUWSZSLSERIQ-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192865541 745908226 /nfs/dbraw/zinc/90/82/26/745908226.db2.gz CJEUWSZSLSERIQ-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273782 746314041 /nfs/dbraw/zinc/31/40/41/746314041.db2.gz AFLPJTXZRCTBOS-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273782 746314050 /nfs/dbraw/zinc/31/40/50/746314050.db2.gz AFLPJTXZRCTBOS-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708699 746682517 /nfs/dbraw/zinc/68/25/17/746682517.db2.gz RXRKHKGMLPRVQG-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+]([C@@H](C)CCC=C)CC1 ZINC001196191551 746787331 /nfs/dbraw/zinc/78/73/31/746787331.db2.gz HAIAXYCURZJXDS-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+]([C@@H](C)CCC=C)CC1 ZINC001196191551 746787336 /nfs/dbraw/zinc/78/73/36/746787336.db2.gz HAIAXYCURZJXDS-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@@H](C)CCC=C)CC1 ZINC001196191551 746787339 /nfs/dbraw/zinc/78/73/39/746787339.db2.gz HAIAXYCURZJXDS-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+]([C@@H](C)CCC=C)CC1 ZINC001196191551 746787342 /nfs/dbraw/zinc/78/73/42/746787342.db2.gz HAIAXYCURZJXDS-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196222210 746801515 /nfs/dbraw/zinc/80/15/15/746801515.db2.gz JWAGRJFXUXETKH-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncc2C)CC(C)(C)C1 ZINC001089440505 746907447 /nfs/dbraw/zinc/90/74/47/746907447.db2.gz ANSILVLHPYAIMN-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440505 746907452 /nfs/dbraw/zinc/90/74/52/746907452.db2.gz ANSILVLHPYAIMN-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440505 746907459 /nfs/dbraw/zinc/90/74/59/746907459.db2.gz ANSILVLHPYAIMN-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001003220360 747060942 /nfs/dbraw/zinc/06/09/42/747060942.db2.gz BSRQRWDZKAWTQQ-UHFFFAOYSA-N 2 1 306.410 1.507 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497920 752175315 /nfs/dbraw/zinc/17/53/15/752175315.db2.gz HLXRUFGWEHAOFM-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497920 752175318 /nfs/dbraw/zinc/17/53/18/752175318.db2.gz HLXRUFGWEHAOFM-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497920 752175320 /nfs/dbraw/zinc/17/53/20/752175320.db2.gz HLXRUFGWEHAOFM-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198984833 747669620 /nfs/dbraw/zinc/66/96/20/747669620.db2.gz SCLAHIYAWWGQFZ-ZBFHGGJFSA-N 2 1 315.417 1.027 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198984833 747669623 /nfs/dbraw/zinc/66/96/23/747669623.db2.gz SCLAHIYAWWGQFZ-ZBFHGGJFSA-N 2 1 315.417 1.027 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001199370086 747818375 /nfs/dbraw/zinc/81/83/75/747818375.db2.gz KGNIYNFTTVBFQJ-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820119 747969780 /nfs/dbraw/zinc/96/97/80/747969780.db2.gz KTFNXHMDEWPJAA-HPBDAGMYSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820119 747969787 /nfs/dbraw/zinc/96/97/87/747969787.db2.gz KTFNXHMDEWPJAA-HPBDAGMYSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820119 747969791 /nfs/dbraw/zinc/96/97/91/747969791.db2.gz KTFNXHMDEWPJAA-HPBDAGMYSA-N 2 1 317.477 1.826 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083825889 748158879 /nfs/dbraw/zinc/15/88/79/748158879.db2.gz PFFJTDYTCNNLKN-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001083825889 748158885 /nfs/dbraw/zinc/15/88/85/748158885.db2.gz PFFJTDYTCNNLKN-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201245007 748442564 /nfs/dbraw/zinc/44/25/64/748442564.db2.gz BVXXYAUWEBVRCB-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144970 748559610 /nfs/dbraw/zinc/55/96/10/748559610.db2.gz DBYQGNGOXIGUSV-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144970 748559614 /nfs/dbraw/zinc/55/96/14/748559614.db2.gz DBYQGNGOXIGUSV-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033144970 748559619 /nfs/dbraw/zinc/55/96/19/748559619.db2.gz DBYQGNGOXIGUSV-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033144970 748559622 /nfs/dbraw/zinc/55/96/22/748559622.db2.gz DBYQGNGOXIGUSV-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153658 748649445 /nfs/dbraw/zinc/64/94/45/748649445.db2.gz WXQRZECDMOEIOL-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153658 748649449 /nfs/dbraw/zinc/64/94/49/748649449.db2.gz WXQRZECDMOEIOL-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147793 748696579 /nfs/dbraw/zinc/69/65/79/748696579.db2.gz JXMHQAJHLNPRFJ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995908232 749293473 /nfs/dbraw/zinc/29/34/73/749293473.db2.gz YIJHKXROALVARF-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033548660 749502785 /nfs/dbraw/zinc/50/27/85/749502785.db2.gz SJTSWHHJCWSEAH-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100124175 761969057 /nfs/dbraw/zinc/96/90/57/761969057.db2.gz DCNAZDPFWPTGRC-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034535565 750536806 /nfs/dbraw/zinc/53/68/06/750536806.db2.gz SGXJJLOPEDYQTK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535565 750536808 /nfs/dbraw/zinc/53/68/08/750536808.db2.gz SGXJJLOPEDYQTK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535565 750536811 /nfs/dbraw/zinc/53/68/11/750536811.db2.gz SGXJJLOPEDYQTK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535565 750536813 /nfs/dbraw/zinc/53/68/13/750536813.db2.gz SGXJJLOPEDYQTK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001032407973 750608566 /nfs/dbraw/zinc/60/85/66/750608566.db2.gz QXHKAKNQDCWDOE-ULQDDVLXSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589292 750612517 /nfs/dbraw/zinc/61/25/17/750612517.db2.gz VIGZBEUVXCPSCS-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001034662168 750643105 /nfs/dbraw/zinc/64/31/05/750643105.db2.gz DZRGOROGKADTJK-RBSFLKMASA-N 2 1 302.422 1.964 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089904624 750669536 /nfs/dbraw/zinc/66/95/36/750669536.db2.gz DIVHZVXGIMABEL-NXOAAHMSSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1cc[nH+]c1C ZINC001089904624 750669540 /nfs/dbraw/zinc/66/95/40/750669540.db2.gz DIVHZVXGIMABEL-NXOAAHMSSA-N 2 1 314.433 1.546 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1CC ZINC001039473746 762063682 /nfs/dbraw/zinc/06/36/82/762063682.db2.gz AOZNZLJHXOPOQZ-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039473746 762063688 /nfs/dbraw/zinc/06/36/88/762063688.db2.gz AOZNZLJHXOPOQZ-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473746 762063695 /nfs/dbraw/zinc/06/36/95/762063695.db2.gz AOZNZLJHXOPOQZ-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473746 762063705 /nfs/dbraw/zinc/06/37/05/762063705.db2.gz AOZNZLJHXOPOQZ-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1([NH+](C)C)CCCC1 ZINC001114626573 750879864 /nfs/dbraw/zinc/87/98/64/750879864.db2.gz IANVHGPHAZLBTC-QLPKVWCKSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000677430 762080855 /nfs/dbraw/zinc/08/08/55/762080855.db2.gz HZBCIRCDIJNCRV-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000677430 762080862 /nfs/dbraw/zinc/08/08/62/762080862.db2.gz HZBCIRCDIJNCRV-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035198075 751281410 /nfs/dbraw/zinc/28/14/10/751281410.db2.gz CWKOGPGCBNPORJ-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198075 751281412 /nfs/dbraw/zinc/28/14/12/751281412.db2.gz CWKOGPGCBNPORJ-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198075 751281414 /nfs/dbraw/zinc/28/14/14/751281414.db2.gz CWKOGPGCBNPORJ-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035194277 751293526 /nfs/dbraw/zinc/29/35/26/751293526.db2.gz YLPQGVDYZWXTFA-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2 ZINC001035225444 751303298 /nfs/dbraw/zinc/30/32/98/751303298.db2.gz ZKUPXTQHNPVRAQ-QGZVFWFLSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001009627212 753287984 /nfs/dbraw/zinc/28/79/84/753287984.db2.gz KYWVASOIBOQOEY-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999987548 753299569 /nfs/dbraw/zinc/29/95/69/753299569.db2.gz XTVGGHVMTFNYJM-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001000838932 762251148 /nfs/dbraw/zinc/25/11/48/762251148.db2.gz YBZFNDMAZVXTIS-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001000838932 762251153 /nfs/dbraw/zinc/25/11/53/762251153.db2.gz YBZFNDMAZVXTIS-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000838932 762251158 /nfs/dbraw/zinc/25/11/58/762251158.db2.gz YBZFNDMAZVXTIS-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001000838932 762251164 /nfs/dbraw/zinc/25/11/64/762251164.db2.gz YBZFNDMAZVXTIS-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001765517 754500955 /nfs/dbraw/zinc/50/09/55/754500955.db2.gz MIBKPDPQSPYXEB-MRXNPFEDSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080143700 755733885 /nfs/dbraw/zinc/73/38/85/755733885.db2.gz WWZPCKFHVFOFTD-GDBMZVCRSA-N 2 1 316.449 1.775 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001080143700 755733890 /nfs/dbraw/zinc/73/38/90/755733890.db2.gz WWZPCKFHVFOFTD-GDBMZVCRSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679773 756044234 /nfs/dbraw/zinc/04/42/34/756044234.db2.gz XFYSFCBTFQKXAJ-RHSMWYFYSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080679773 756044239 /nfs/dbraw/zinc/04/42/39/756044239.db2.gz XFYSFCBTFQKXAJ-RHSMWYFYSA-N 2 1 323.400 1.341 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001081668933 756420810 /nfs/dbraw/zinc/42/08/10/756420810.db2.gz XVBWQXCFTIFLCW-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H](OC)C1 ZINC001081767060 756472766 /nfs/dbraw/zinc/47/27/66/756472766.db2.gz PTSVCESHMFEBKT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081767060 756472769 /nfs/dbraw/zinc/47/27/69/756472769.db2.gz PTSVCESHMFEBKT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081767060 756472772 /nfs/dbraw/zinc/47/27/72/756472772.db2.gz PTSVCESHMFEBKT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081767060 756472774 /nfs/dbraw/zinc/47/27/74/756472774.db2.gz PTSVCESHMFEBKT-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001016336526 756934496 /nfs/dbraw/zinc/93/44/96/756934496.db2.gz MEXSCALECTVNSZ-HZPDHXFCSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001016336526 756934498 /nfs/dbraw/zinc/93/44/98/756934498.db2.gz MEXSCALECTVNSZ-HZPDHXFCSA-N 2 1 309.429 1.270 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702744 757793991 /nfs/dbraw/zinc/79/39/91/757793991.db2.gz OIHKSLMIQKZYRS-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCF)CC2)CC1 ZINC001052957555 758010792 /nfs/dbraw/zinc/01/07/92/758010792.db2.gz GMWASLKHOVDDBO-QGZVFWFLSA-N 2 1 323.456 1.662 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941550 758086040 /nfs/dbraw/zinc/08/60/40/758086040.db2.gz PAMNIRVLBGZJLJ-KURKYZTESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962577 758100346 /nfs/dbraw/zinc/10/03/46/758100346.db2.gz WOFLKSAOXYMYAG-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962577 758100352 /nfs/dbraw/zinc/10/03/52/758100352.db2.gz WOFLKSAOXYMYAG-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962577 758100355 /nfs/dbraw/zinc/10/03/55/758100355.db2.gz WOFLKSAOXYMYAG-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084962550 758100404 /nfs/dbraw/zinc/10/04/04/758100404.db2.gz UVFDAXRLUYUUHY-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962550 758100413 /nfs/dbraw/zinc/10/04/13/758100413.db2.gz UVFDAXRLUYUUHY-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084962550 758100417 /nfs/dbraw/zinc/10/04/17/758100417.db2.gz UVFDAXRLUYUUHY-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001053582215 758595988 /nfs/dbraw/zinc/59/59/88/758595988.db2.gz BITIADXBEFCTOL-LSDHHAIUSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053757671 758774416 /nfs/dbraw/zinc/77/44/16/758774416.db2.gz BEZNIXDSBBZZND-GJZGRUSLSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053757671 758774419 /nfs/dbraw/zinc/77/44/19/758774419.db2.gz BEZNIXDSBBZZND-GJZGRUSLSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053984248 759025841 /nfs/dbraw/zinc/02/58/41/759025841.db2.gz SREDMOAWNILOFD-HNNXBMFYSA-N 2 1 319.449 1.008 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148243 759227970 /nfs/dbraw/zinc/22/79/70/759227970.db2.gz KDGWPACIFBCATG-PKOBYXMFSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001019155972 759633198 /nfs/dbraw/zinc/63/31/98/759633198.db2.gz IWQRSXSKIIBZRJ-AWEZNQCLSA-N 2 1 302.422 1.529 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001019416457 759913999 /nfs/dbraw/zinc/91/39/99/759913999.db2.gz MJCDVSSUSKNDCD-KSZLIROESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172933 761796359 /nfs/dbraw/zinc/79/63/59/761796359.db2.gz JMLYNKDEPYNUEY-IAGOWNOFSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172933 761796364 /nfs/dbraw/zinc/79/63/64/761796364.db2.gz JMLYNKDEPYNUEY-IAGOWNOFSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172933 761796368 /nfs/dbraw/zinc/79/63/68/761796368.db2.gz JMLYNKDEPYNUEY-IAGOWNOFSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C/C=C\Cl)CC1 ZINC001001493094 762913367 /nfs/dbraw/zinc/91/33/67/762913367.db2.gz WCVAFCZCCXCJJL-FAOGRTBUSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C/C=C\Cl)CC1 ZINC001001493094 762913370 /nfs/dbraw/zinc/91/33/70/762913370.db2.gz WCVAFCZCCXCJJL-FAOGRTBUSA-N 2 1 323.868 1.665 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357432 762978510 /nfs/dbraw/zinc/97/85/10/762978510.db2.gz HOSMINQXJDDUHZ-WMZOPIPTSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042096514 763646816 /nfs/dbraw/zinc/64/68/16/763646816.db2.gz ZUFUFCDWXACQCS-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042096514 763646818 /nfs/dbraw/zinc/64/68/18/763646818.db2.gz ZUFUFCDWXACQCS-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042096514 763646820 /nfs/dbraw/zinc/64/68/20/763646820.db2.gz ZUFUFCDWXACQCS-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042115019 763668566 /nfs/dbraw/zinc/66/85/66/763668566.db2.gz QDXYADVTXKVPMR-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001109414899 763680625 /nfs/dbraw/zinc/68/06/25/763680625.db2.gz QWICTXTXIHOERX-OWSLCNJRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517983 763693908 /nfs/dbraw/zinc/69/39/08/763693908.db2.gz OFYMYSWQKSHTGT-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)CC1 ZINC001050551433 763744383 /nfs/dbraw/zinc/74/43/83/763744383.db2.gz XBCUHZAYJGBOSL-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)CC1 ZINC001050551433 763744387 /nfs/dbraw/zinc/74/43/87/763744387.db2.gz XBCUHZAYJGBOSL-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371108 763973952 /nfs/dbraw/zinc/97/39/52/763973952.db2.gz LNVZSIIHWPKMCP-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982747 764261905 /nfs/dbraw/zinc/26/19/05/764261905.db2.gz PWGGRQPSXRTTJX-PMPSAXMXSA-N 2 1 319.449 1.006 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131681658 768258912 /nfs/dbraw/zinc/25/89/12/768258912.db2.gz GBXNTDWCYKGVTO-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131682924 768259036 /nfs/dbraw/zinc/25/90/36/768259036.db2.gz UGOOXMHUYDZUBP-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001113049476 765189432 /nfs/dbraw/zinc/18/94/32/765189432.db2.gz QWOOWHNEJYFGTI-UHFFFAOYSA-N 2 1 302.422 1.628 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653644 766040074 /nfs/dbraw/zinc/04/00/74/766040074.db2.gz OKSUBZFJIVJRHZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653644 766040079 /nfs/dbraw/zinc/04/00/79/766040079.db2.gz OKSUBZFJIVJRHZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653644 766040090 /nfs/dbraw/zinc/04/00/90/766040090.db2.gz OKSUBZFJIVJRHZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653644 766040098 /nfs/dbraw/zinc/04/00/98/766040098.db2.gz OKSUBZFJIVJRHZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045557078 766400140 /nfs/dbraw/zinc/40/01/40/766400140.db2.gz SUIRAAFGXUZRDR-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001129791092 766996729 /nfs/dbraw/zinc/99/67/29/766996729.db2.gz RHQMOZOCPNJAON-PBHICJAKSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001129791092 766996730 /nfs/dbraw/zinc/99/67/30/766996730.db2.gz RHQMOZOCPNJAON-PBHICJAKSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001129770841 766997933 /nfs/dbraw/zinc/99/79/33/766997933.db2.gz LNKLVLYDCLBQKV-SFHVURJKSA-N 2 1 324.428 1.471 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001129770841 766997938 /nfs/dbraw/zinc/99/79/38/766997938.db2.gz LNKLVLYDCLBQKV-SFHVURJKSA-N 2 1 324.428 1.471 20 30 DDEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409288 768458661 /nfs/dbraw/zinc/45/86/61/768458661.db2.gz QYSLXJANLDLVBX-ULQDDVLXSA-N 2 1 321.465 1.083 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409288 768458663 /nfs/dbraw/zinc/45/86/63/768458663.db2.gz QYSLXJANLDLVBX-ULQDDVLXSA-N 2 1 321.465 1.083 20 30 DDEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047409288 768458667 /nfs/dbraw/zinc/45/86/67/768458667.db2.gz QYSLXJANLDLVBX-ULQDDVLXSA-N 2 1 321.465 1.083 20 30 DDEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047409288 768458668 /nfs/dbraw/zinc/45/86/68/768458668.db2.gz QYSLXJANLDLVBX-ULQDDVLXSA-N 2 1 321.465 1.083 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117672 769509895 /nfs/dbraw/zinc/50/98/95/769509895.db2.gz NIBIFNZXGGMWQY-HOTGVXAUSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829326 769956058 /nfs/dbraw/zinc/95/60/58/769956058.db2.gz MQPMOLFWFVPSTO-APIJFGDWSA-N 2 1 311.857 1.469 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829326 769956063 /nfs/dbraw/zinc/95/60/63/769956063.db2.gz MQPMOLFWFVPSTO-APIJFGDWSA-N 2 1 311.857 1.469 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829326 769956073 /nfs/dbraw/zinc/95/60/73/769956073.db2.gz MQPMOLFWFVPSTO-APIJFGDWSA-N 2 1 311.857 1.469 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001158894560 770009672 /nfs/dbraw/zinc/00/96/72/770009672.db2.gz UNZVLJAMLYTGBI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001158894560 770009685 /nfs/dbraw/zinc/00/96/85/770009685.db2.gz UNZVLJAMLYTGBI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158894560 770009697 /nfs/dbraw/zinc/00/96/97/770009697.db2.gz UNZVLJAMLYTGBI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158894560 770009708 /nfs/dbraw/zinc/00/97/08/770009708.db2.gz UNZVLJAMLYTGBI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012856 770250615 /nfs/dbraw/zinc/25/06/15/770250615.db2.gz LTZRRJGDEVQJHP-IYBDPMFKSA-N 2 1 315.417 1.368 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133831444 770315338 /nfs/dbraw/zinc/31/53/38/770315338.db2.gz OBGQNQBRLDCUOW-NSHDSACASA-N 2 1 304.232 1.085 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094564 770360603 /nfs/dbraw/zinc/36/06/03/770360603.db2.gz MGQORSRQUCWIRW-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049096072 770366054 /nfs/dbraw/zinc/36/60/54/770366054.db2.gz NJMRUSQXYJWCCG-IYBDPMFKSA-N 2 1 316.449 1.973 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049096072 770366064 /nfs/dbraw/zinc/36/60/64/770366064.db2.gz NJMRUSQXYJWCCG-IYBDPMFKSA-N 2 1 316.449 1.973 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688158 771087936 /nfs/dbraw/zinc/08/79/36/771087936.db2.gz RTRJKSHSHQJFEW-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049709253 771102576 /nfs/dbraw/zinc/10/25/76/771102576.db2.gz IAGHEQZGTMYEFA-GVDBMIGSSA-N 2 1 305.466 1.661 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090520617 771183849 /nfs/dbraw/zinc/18/38/49/771183849.db2.gz QNCPBYJICFYNSU-HUUCEWRRSA-N 2 1 321.421 1.082 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899977 771243920 /nfs/dbraw/zinc/24/39/20/771243920.db2.gz HUUAEDKNMSOJRW-JKSUJKDBSA-N 2 1 300.406 1.280 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899977 771243923 /nfs/dbraw/zinc/24/39/23/771243923.db2.gz HUUAEDKNMSOJRW-JKSUJKDBSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049917876 771257885 /nfs/dbraw/zinc/25/78/85/771257885.db2.gz IUXJYLRKDSJBAI-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001049919689 771261682 /nfs/dbraw/zinc/26/16/82/771261682.db2.gz PJDBLKGVQIRFGB-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919689 771261689 /nfs/dbraw/zinc/26/16/89/771261689.db2.gz PJDBLKGVQIRFGB-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1CC ZINC001049919689 771261694 /nfs/dbraw/zinc/26/16/94/771261694.db2.gz PJDBLKGVQIRFGB-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001096607853 771288997 /nfs/dbraw/zinc/28/89/97/771288997.db2.gz KQQORYJVXCFGBA-SQNIBIBYSA-N 2 1 313.445 1.076 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107500 772150834 /nfs/dbraw/zinc/15/08/34/772150834.db2.gz KQXKELQGISACSH-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627037 773235890 /nfs/dbraw/zinc/23/58/90/773235890.db2.gz AMFKNGBYCFICRD-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627037 773235894 /nfs/dbraw/zinc/23/58/94/773235894.db2.gz AMFKNGBYCFICRD-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627037 773235897 /nfs/dbraw/zinc/23/58/97/773235897.db2.gz AMFKNGBYCFICRD-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148899722 773629065 /nfs/dbraw/zinc/62/90/65/773629065.db2.gz BWLWBSAOMCCBEC-UHFFFAOYSA-N 2 1 317.477 1.810 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001086941690 773731183 /nfs/dbraw/zinc/73/11/83/773731183.db2.gz ACMTVSHVIGBSQC-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911516 774299419 /nfs/dbraw/zinc/29/94/19/774299419.db2.gz SOJOAACHQAFVBP-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911516 774299421 /nfs/dbraw/zinc/29/94/21/774299421.db2.gz SOJOAACHQAFVBP-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911516 774299427 /nfs/dbraw/zinc/29/94/27/774299427.db2.gz SOJOAACHQAFVBP-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)[C@H](C)C1 ZINC001093223621 774535476 /nfs/dbraw/zinc/53/54/76/774535476.db2.gz DBIIEQWZEOETCX-SJLPKXTDSA-N 2 1 315.461 1.039 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC)CC1 ZINC001098460624 774587413 /nfs/dbraw/zinc/58/74/13/774587413.db2.gz HLDBGQNBNPGKLK-ZACQAIPSSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036809247 774668361 /nfs/dbraw/zinc/66/83/61/774668361.db2.gz HVVNFNLPOSPDOR-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836052 774811871 /nfs/dbraw/zinc/81/18/71/774811871.db2.gz LFSYVRPNIIUNCS-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001099110940 774840739 /nfs/dbraw/zinc/84/07/39/774840739.db2.gz MJOBPSJOGAUHJH-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110940 774840749 /nfs/dbraw/zinc/84/07/49/774840749.db2.gz MJOBPSJOGAUHJH-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001099110940 774840758 /nfs/dbraw/zinc/84/07/58/774840758.db2.gz MJOBPSJOGAUHJH-MRXNPFEDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC=C)C3)CC1 ZINC001099174494 774882247 /nfs/dbraw/zinc/88/22/47/774882247.db2.gz PMXASHQLLRFXJK-HKUYNNGSSA-N 2 1 315.461 1.488 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC)C3)CC1 ZINC001099174592 774883026 /nfs/dbraw/zinc/88/30/26/774883026.db2.gz VLSUKJGDXDQDOU-WMZOPIPTSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281513 774931132 /nfs/dbraw/zinc/93/11/32/774931132.db2.gz UXTROVMFYJJCIS-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989876 775532930 /nfs/dbraw/zinc/53/29/30/775532930.db2.gz UZGSEZHZRJTMNF-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896536 776010334 /nfs/dbraw/zinc/01/03/34/776010334.db2.gz QAOUESDTRGXZGJ-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896536 776010341 /nfs/dbraw/zinc/01/03/41/776010341.db2.gz QAOUESDTRGXZGJ-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036897086 776012021 /nfs/dbraw/zinc/01/20/21/776012021.db2.gz ZKNORVOUPNKYDZ-LSDHHAIUSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605690 776357599 /nfs/dbraw/zinc/35/75/99/776357599.db2.gz PAMPBPVAEPQGAY-JCYILVPMSA-N 2 1 323.481 1.546 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CCN([C@H]2CC[N@H+](CC)C2)CC1 ZINC001173374355 777157353 /nfs/dbraw/zinc/15/73/53/777157353.db2.gz LHZOIVZZECXFLO-SFHVURJKSA-N 2 1 306.498 1.372 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974571 777753181 /nfs/dbraw/zinc/75/31/81/777753181.db2.gz FVHJPDVCXCROBY-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[N@H+](C)CC ZINC001177455590 778594807 /nfs/dbraw/zinc/59/48/07/778594807.db2.gz DQUICWMSTRXJBR-UHFFFAOYSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001177477307 778634920 /nfs/dbraw/zinc/63/49/20/778634920.db2.gz DWUBEGUCUNHTLV-GOSISDBHSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001177477343 778634926 /nfs/dbraw/zinc/63/49/26/778634926.db2.gz GAZZFHFOLTVCST-GOSISDBHSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178735864 779158950 /nfs/dbraw/zinc/15/89/50/779158950.db2.gz GYDVGIIZOURFKI-JYJNAYRXSA-N 2 1 316.449 1.999 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034157 779258471 /nfs/dbraw/zinc/25/84/71/779258471.db2.gz VDQDRRPJRMQFMI-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034157 779258476 /nfs/dbraw/zinc/25/84/76/779258476.db2.gz VDQDRRPJRMQFMI-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)C[N@H+](C)CCC ZINC001180124176 779630504 /nfs/dbraw/zinc/63/05/04/779630504.db2.gz PXRNRQKLCMGIIR-UHFFFAOYSA-N 2 1 313.486 1.797 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182710 779640231 /nfs/dbraw/zinc/64/02/31/779640231.db2.gz LWUNRIUSYHKWCZ-JYJNAYRXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182710 779640235 /nfs/dbraw/zinc/64/02/35/779640235.db2.gz LWUNRIUSYHKWCZ-JYJNAYRXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001180182938 779640744 /nfs/dbraw/zinc/64/07/44/779640744.db2.gz VETBSPKYSRGKJR-JYJNAYRXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001180182938 779640748 /nfs/dbraw/zinc/64/07/48/779640748.db2.gz VETBSPKYSRGKJR-JYJNAYRXSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198396 779645903 /nfs/dbraw/zinc/64/59/03/779645903.db2.gz SKAWCCGHKFMNAQ-CHWSQXEVSA-N 2 1 319.371 1.330 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001180332112 779732760 /nfs/dbraw/zinc/73/27/60/779732760.db2.gz UDEVBMKVDQRVJZ-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001180332112 779732764 /nfs/dbraw/zinc/73/27/64/779732764.db2.gz UDEVBMKVDQRVJZ-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)C[N@H+](C)C(C)C ZINC001180369612 779752252 /nfs/dbraw/zinc/75/22/52/779752252.db2.gz NTIVWVQQPRNXGE-UHFFFAOYSA-N 2 1 313.486 1.795 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114972001 779796160 /nfs/dbraw/zinc/79/61/60/779796160.db2.gz CZGNQZQYLDOOHO-QLPKVWCKSA-N 2 1 302.422 1.594 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114972001 779796171 /nfs/dbraw/zinc/79/61/71/779796171.db2.gz CZGNQZQYLDOOHO-QLPKVWCKSA-N 2 1 302.422 1.594 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115303856 780022594 /nfs/dbraw/zinc/02/25/94/780022594.db2.gz LHRSVINLYMEUQJ-VSZNYVQBSA-N 2 1 313.445 1.912 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115303856 780022602 /nfs/dbraw/zinc/02/26/02/780022602.db2.gz LHRSVINLYMEUQJ-VSZNYVQBSA-N 2 1 313.445 1.912 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630166 780288165 /nfs/dbraw/zinc/28/81/65/780288165.db2.gz CLAHSFCYGROPND-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267302841 837786291 /nfs/dbraw/zinc/78/62/91/837786291.db2.gz IQUZWYKSCYXOSY-CRAIPNDOSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267302841 837786302 /nfs/dbraw/zinc/78/63/02/837786302.db2.gz IQUZWYKSCYXOSY-CRAIPNDOSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267302841 837786316 /nfs/dbraw/zinc/78/63/16/837786316.db2.gz IQUZWYKSCYXOSY-CRAIPNDOSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001267325396 837827857 /nfs/dbraw/zinc/82/78/57/837827857.db2.gz CZTRFTZGMIAJEE-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001267325396 837827870 /nfs/dbraw/zinc/82/78/70/837827870.db2.gz CZTRFTZGMIAJEE-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001267325396 837827888 /nfs/dbraw/zinc/82/78/88/837827888.db2.gz CZTRFTZGMIAJEE-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266471992 836312896 /nfs/dbraw/zinc/31/28/96/836312896.db2.gz ABXMCPXUSWSYFY-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266471992 836312910 /nfs/dbraw/zinc/31/29/10/836312910.db2.gz ABXMCPXUSWSYFY-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266471992 836312924 /nfs/dbraw/zinc/31/29/24/836312924.db2.gz ABXMCPXUSWSYFY-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001266496053 836348795 /nfs/dbraw/zinc/34/87/95/836348795.db2.gz ZRXSCIANKBMNFV-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001266496053 836348802 /nfs/dbraw/zinc/34/88/02/836348802.db2.gz ZRXSCIANKBMNFV-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001266662406 836613000 /nfs/dbraw/zinc/61/30/00/836613000.db2.gz FQPFIKSNXFOGIC-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001266904653 837036752 /nfs/dbraw/zinc/03/67/52/837036752.db2.gz NBATZTCWJSTWHJ-YXISZKLHSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266904653 837036769 /nfs/dbraw/zinc/03/67/69/837036769.db2.gz NBATZTCWJSTWHJ-YXISZKLHSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266904653 837036782 /nfs/dbraw/zinc/03/67/82/837036782.db2.gz NBATZTCWJSTWHJ-YXISZKLHSA-N 2 1 305.466 1.729 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267015552 837195779 /nfs/dbraw/zinc/19/57/79/837195779.db2.gz FVBZZSUGBMUODX-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267520529 838240009 /nfs/dbraw/zinc/24/00/09/838240009.db2.gz NZDJNZBPPDTCKQ-QZTJIDSGSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267520529 838240020 /nfs/dbraw/zinc/24/00/20/838240020.db2.gz NZDJNZBPPDTCKQ-QZTJIDSGSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267570981 838329322 /nfs/dbraw/zinc/32/93/22/838329322.db2.gz HLBWDVWNWGHOOE-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001267728980 838766374 /nfs/dbraw/zinc/76/63/74/838766374.db2.gz RZFXMTBCYMLEEV-KRWDZBQOSA-N 2 1 301.434 1.537 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001267728980 838766377 /nfs/dbraw/zinc/76/63/77/838766377.db2.gz RZFXMTBCYMLEEV-KRWDZBQOSA-N 2 1 301.434 1.537 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001267728980 838766386 /nfs/dbraw/zinc/76/63/86/838766386.db2.gz RZFXMTBCYMLEEV-KRWDZBQOSA-N 2 1 301.434 1.537 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001267728980 838766393 /nfs/dbraw/zinc/76/63/93/838766393.db2.gz RZFXMTBCYMLEEV-KRWDZBQOSA-N 2 1 301.434 1.537 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267776468 838951381 /nfs/dbraw/zinc/95/13/81/838951381.db2.gz AYZJFIGMUPRDIA-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)C ZINC001268067754 839641977 /nfs/dbraw/zinc/64/19/77/839641977.db2.gz HLSCBYABUIEVFT-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)C ZINC001268067754 839641984 /nfs/dbraw/zinc/64/19/84/839641984.db2.gz HLSCBYABUIEVFT-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001268097513 839684235 /nfs/dbraw/zinc/68/42/35/839684235.db2.gz FOGSAXMANNLURL-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\CNCc1ccccc1C#N ZINC001268574033 840469771 /nfs/dbraw/zinc/46/97/71/840469771.db2.gz IDRDIQYRPWSWIP-VGOKWCNXSA-N 2 1 312.417 1.414 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccccc1C#N ZINC001268574033 840469777 /nfs/dbraw/zinc/46/97/77/840469777.db2.gz IDRDIQYRPWSWIP-VGOKWCNXSA-N 2 1 312.417 1.414 20 30 DDEDMP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001272092561 844593518 /nfs/dbraw/zinc/59/35/18/844593518.db2.gz FDNOXYMAMXMARI-OAHLLOKOSA-N 2 1 304.438 1.720 20 30 DDEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001272092561 844593524 /nfs/dbraw/zinc/59/35/24/844593524.db2.gz FDNOXYMAMXMARI-OAHLLOKOSA-N 2 1 304.438 1.720 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)CCCn1cc[nH+]c1C)C1CC1 ZINC001269129239 841241869 /nfs/dbraw/zinc/24/18/69/841241869.db2.gz IIZCACRWSMTXOE-INIZCTEOSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001269960931 842183318 /nfs/dbraw/zinc/18/33/18/842183318.db2.gz SRPOIIIBVJWIQA-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001270048745 842255401 /nfs/dbraw/zinc/25/54/01/842255401.db2.gz WJCUZQQJQAFXSJ-IYARVYRRSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001270048745 842255409 /nfs/dbraw/zinc/25/54/09/842255409.db2.gz WJCUZQQJQAFXSJ-IYARVYRRSA-N 2 1 313.445 1.769 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326977512 861767756 /nfs/dbraw/zinc/76/77/56/861767756.db2.gz HNLARWQNKYAHQW-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCCCCN1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001272901397 847611186 /nfs/dbraw/zinc/61/11/86/847611186.db2.gz IASCGUARQVGLCQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272901397 847611194 /nfs/dbraw/zinc/61/11/94/847611194.db2.gz IASCGUARQVGLCQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001272901397 847611200 /nfs/dbraw/zinc/61/12/00/847611200.db2.gz IASCGUARQVGLCQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001272901397 847611209 /nfs/dbraw/zinc/61/12/09/847611209.db2.gz IASCGUARQVGLCQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001272901397 847611213 /nfs/dbraw/zinc/61/12/13/847611213.db2.gz IASCGUARQVGLCQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001273018545 847790972 /nfs/dbraw/zinc/79/09/72/847790972.db2.gz MBLFHCMKGVRTIK-ZFWWWQNUSA-N 2 1 302.422 1.262 20 30 DDEDMP C=C(C)CN1C(=O)C[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031230 847814124 /nfs/dbraw/zinc/81/41/24/847814124.db2.gz VKBHBXHYODYRRO-GOSISDBHSA-N 2 1 319.449 1.403 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(C)C)CC1 ZINC001005519561 848083160 /nfs/dbraw/zinc/08/31/60/848083160.db2.gz WOSHNISVLJLBHT-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(C)C)CC1 ZINC001005519561 848083165 /nfs/dbraw/zinc/08/31/65/848083165.db2.gz WOSHNISVLJLBHT-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150371962 862198634 /nfs/dbraw/zinc/19/86/34/862198634.db2.gz NNGXDJVWGLHMEU-GOEBONIOSA-N 2 1 320.437 1.514 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150371962 862198638 /nfs/dbraw/zinc/19/86/38/862198638.db2.gz NNGXDJVWGLHMEU-GOEBONIOSA-N 2 1 320.437 1.514 20 30 DDEDMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1=O ZINC001274042409 851883426 /nfs/dbraw/zinc/88/34/26/851883426.db2.gz FMMNVOYFEMZDPD-QGZVFWFLSA-N 2 1 320.437 1.083 20 30 DDEDMP COCC[N@H+]1CCC[C@@]2(CCN(Cc3cc(C#N)n(C)c3)C2)C1 ZINC001274981554 852728028 /nfs/dbraw/zinc/72/80/28/852728028.db2.gz MJJMWIUZPPPVFY-GOSISDBHSA-N 2 1 316.449 1.831 20 30 DDEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001275697194 853588369 /nfs/dbraw/zinc/58/83/69/853588369.db2.gz GJEAJVQGZDGTDN-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001275697194 853588380 /nfs/dbraw/zinc/58/83/80/853588380.db2.gz GJEAJVQGZDGTDN-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001275697194 853588389 /nfs/dbraw/zinc/58/83/89/853588389.db2.gz GJEAJVQGZDGTDN-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593871 857031720 /nfs/dbraw/zinc/03/17/20/857031720.db2.gz ICAYPQHZTXPMRS-HZPDHXFCSA-N 2 1 300.406 1.280 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593871 857031726 /nfs/dbraw/zinc/03/17/26/857031726.db2.gz ICAYPQHZTXPMRS-HZPDHXFCSA-N 2 1 300.406 1.280 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072741112 857662564 /nfs/dbraw/zinc/66/25/64/857662564.db2.gz XTALFVCVHDBTEO-MRXNPFEDSA-N 2 1 303.450 1.439 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001121767767 858591592 /nfs/dbraw/zinc/59/15/92/858591592.db2.gz KDILKJLCUKTYBX-XOGYLQAWSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001121773132 858593300 /nfs/dbraw/zinc/59/33/00/858593300.db2.gz OWRGWASNWJZXNK-XOGYLQAWSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001276979751 881437922 /nfs/dbraw/zinc/43/79/22/881437922.db2.gz MEZQOGSYPQWRJP-QAPCUYQASA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872604 860214580 /nfs/dbraw/zinc/21/45/80/860214580.db2.gz JAXQHZLRZRTREH-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001224854987 881561659 /nfs/dbraw/zinc/56/16/59/881561659.db2.gz IYCLTJFZGMKKRE-UHFFFAOYSA-N 2 1 323.481 1.503 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001328763730 863201849 /nfs/dbraw/zinc/20/18/49/863201849.db2.gz FSMPCIAXEGUTDD-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001328763730 863201858 /nfs/dbraw/zinc/20/18/58/863201858.db2.gz FSMPCIAXEGUTDD-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001328763730 863201875 /nfs/dbraw/zinc/20/18/75/863201875.db2.gz FSMPCIAXEGUTDD-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001152445841 863348638 /nfs/dbraw/zinc/34/86/38/863348638.db2.gz PAUJIXJBKHBMEP-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001152451674 863355386 /nfs/dbraw/zinc/35/53/86/863355386.db2.gz CVKIYHCTYHGCPA-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC001330309045 864227878 /nfs/dbraw/zinc/22/78/78/864227878.db2.gz JTIFROAOVBSOPE-OSYLJGHBSA-N 2 1 317.477 1.875 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccn2c[nH+]cc2c1 ZINC001158186788 864476639 /nfs/dbraw/zinc/47/66/39/864476639.db2.gz XZSGKASSRYCHKL-MRXNPFEDSA-N 2 1 310.401 1.894 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001158555824 864723474 /nfs/dbraw/zinc/72/34/74/864723474.db2.gz YJMPFCPJWAVXCZ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC[C@@H](C)F)CC1 ZINC001331030211 864789637 /nfs/dbraw/zinc/78/96/37/864789637.db2.gz UVZYNYNZYCZSQS-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC[C@@H](C)F)CC1 ZINC001331030211 864789643 /nfs/dbraw/zinc/78/96/43/864789643.db2.gz UVZYNYNZYCZSQS-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC[C@@H](C)F)CC1 ZINC001331030211 864789649 /nfs/dbraw/zinc/78/96/49/864789649.db2.gz UVZYNYNZYCZSQS-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC[C@@H](C)F)CC1 ZINC001331030211 864789656 /nfs/dbraw/zinc/78/96/56/864789656.db2.gz UVZYNYNZYCZSQS-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001331926565 865435720 /nfs/dbraw/zinc/43/57/20/865435720.db2.gz KWROHCPQOYQVRG-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001332010790 865501757 /nfs/dbraw/zinc/50/17/57/865501757.db2.gz DWFDMOLSBRQATA-NVXWUHKLSA-N 2 1 314.433 1.913 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001332204597 865665325 /nfs/dbraw/zinc/66/53/25/865665325.db2.gz HSTKCCUHIXXXBA-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160293458 865767536 /nfs/dbraw/zinc/76/75/36/865767536.db2.gz XRMNFLSYERGPCC-KRWDZBQOSA-N 2 1 323.456 1.828 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001323049449 866296693 /nfs/dbraw/zinc/29/66/93/866296693.db2.gz YHBKNFZBZAZRJM-SJORKVTESA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001319869798 866359636 /nfs/dbraw/zinc/35/96/36/866359636.db2.gz QFHXVKMGQMAMBI-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CCC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001333070093 866392322 /nfs/dbraw/zinc/39/23/22/866392322.db2.gz CBVCXQAQPIDHGY-QQFBHYJXSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001319942308 866394678 /nfs/dbraw/zinc/39/46/78/866394678.db2.gz CCTLYMVDEGLUGO-RDJZCZTQSA-N 2 1 316.449 1.508 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161699005 866902268 /nfs/dbraw/zinc/90/22/68/866902268.db2.gz JZMPVCUCPJLTLZ-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001324935798 867639836 /nfs/dbraw/zinc/63/98/36/867639836.db2.gz GLSOYQYYFUOKGA-NUJGCVRESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001324935798 867639848 /nfs/dbraw/zinc/63/98/48/867639848.db2.gz GLSOYQYYFUOKGA-NUJGCVRESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001325263056 867899667 /nfs/dbraw/zinc/89/96/67/867899667.db2.gz FJERYCNYCWXOLI-PMPSAXMXSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001321967050 867902505 /nfs/dbraw/zinc/90/25/05/867902505.db2.gz WNUOIJKUXLSRFW-ZFWWWQNUSA-N 2 1 320.437 1.051 20 30 DDEDMP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001325421053 868017537 /nfs/dbraw/zinc/01/75/37/868017537.db2.gz YZXZWXVPZPNUBY-QWHCGFSZSA-N 2 1 306.410 1.362 20 30 DDEDMP C[N@H+]1CCC[C@H]1CNC(NC[C@H]1CCCCO1)=[NH+]C(C)(C)C ZINC001335284019 868200970 /nfs/dbraw/zinc/20/09/70/868200970.db2.gz MVMORNZVVDCUMP-LSDHHAIUSA-N 2 1 310.486 1.983 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCCO1 ZINC001322549400 868240417 /nfs/dbraw/zinc/24/04/17/868240417.db2.gz NPINQRANKWEVEL-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H]1CCCO1 ZINC001322549400 868240428 /nfs/dbraw/zinc/24/04/28/868240428.db2.gz NPINQRANKWEVEL-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC001335986113 868661289 /nfs/dbraw/zinc/66/12/89/868661289.db2.gz JWIMTSKAZQTNQF-QGZVFWFLSA-N 2 1 308.466 1.510 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940724 868812373 /nfs/dbraw/zinc/81/23/73/868812373.db2.gz PIPURYJPTKKWOE-HOTGVXAUSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940724 868812387 /nfs/dbraw/zinc/81/23/87/868812387.db2.gz PIPURYJPTKKWOE-HOTGVXAUSA-N 2 1 323.481 1.548 20 30 DDEDMP Cc1[nH+]c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)ccc1CC#N ZINC001165346301 869532651 /nfs/dbraw/zinc/53/26/51/869532651.db2.gz PHXCGHNSSWQTST-QGZVFWFLSA-N 2 1 316.405 1.041 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165912334 869762729 /nfs/dbraw/zinc/76/27/29/869762729.db2.gz OZMRHXKBXBEMQU-UHFFFAOYSA-N 2 1 318.421 1.249 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001166634177 870114693 /nfs/dbraw/zinc/11/46/93/870114693.db2.gz QAGXUUDXMVOSNE-CYBMUJFWSA-N 2 1 320.462 1.700 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317214234 870482481 /nfs/dbraw/zinc/48/24/81/870482481.db2.gz DNEKDUMHTUPZLI-YXISZKLHSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203506620 870604393 /nfs/dbraw/zinc/60/43/93/870604393.db2.gz KKBSTHXHKGKARQ-CVEARBPZSA-N 2 1 321.465 1.302 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001316755319 871998826 /nfs/dbraw/zinc/99/88/26/871998826.db2.gz FQXXARACHUNJMR-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001316804546 872069367 /nfs/dbraw/zinc/06/93/67/872069367.db2.gz PYGGMYBKGIRRQP-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001318569667 872152087 /nfs/dbraw/zinc/15/20/87/872152087.db2.gz IRRWVFDBFMDVAO-RHSMWYFYSA-N 2 1 311.445 1.707 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548986 872430483 /nfs/dbraw/zinc/43/04/83/872430483.db2.gz SUPSFEOKFFQOOQ-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316953012 872457523 /nfs/dbraw/zinc/45/75/23/872457523.db2.gz JCLUWDHDAFNSHY-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001207398666 873234141 /nfs/dbraw/zinc/23/41/41/873234141.db2.gz HJUOQRGUIMKWNJ-UHFFFAOYSA-N 2 1 313.449 1.807 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331397 874019796 /nfs/dbraw/zinc/01/97/96/874019796.db2.gz ROWHDTQCFSFZHP-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001208357707 874056703 /nfs/dbraw/zinc/05/67/03/874056703.db2.gz ACRDOPXMEGNGQY-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC001348446628 874564761 /nfs/dbraw/zinc/56/47/61/874564761.db2.gz IQJSHDURPPIZAN-GOEBONIOSA-N 2 1 307.438 1.298 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209241881 874753310 /nfs/dbraw/zinc/75/33/10/874753310.db2.gz GOHCDSNXKSKMMD-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209241881 874753314 /nfs/dbraw/zinc/75/33/14/874753314.db2.gz GOHCDSNXKSKMMD-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269932 875735856 /nfs/dbraw/zinc/73/58/56/875735856.db2.gz VXKVTUADFMJSIU-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593307 875991987 /nfs/dbraw/zinc/99/19/87/875991987.db2.gz UBSWELBDKFUUGF-BRWVUGGUSA-N 2 1 323.481 1.192 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593307 875991994 /nfs/dbraw/zinc/99/19/94/875991994.db2.gz UBSWELBDKFUUGF-BRWVUGGUSA-N 2 1 323.481 1.192 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213678238 876018871 /nfs/dbraw/zinc/01/88/71/876018871.db2.gz KZTPTKXKTCSNFQ-ARFHVFGLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678238 876018891 /nfs/dbraw/zinc/01/88/91/876018891.db2.gz KZTPTKXKTCSNFQ-ARFHVFGLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678238 876018909 /nfs/dbraw/zinc/01/89/09/876018909.db2.gz KZTPTKXKTCSNFQ-ARFHVFGLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001378970392 876037249 /nfs/dbraw/zinc/03/72/49/876037249.db2.gz VBAHYAJBDWXEEK-ZIAGYGMSSA-N 2 1 301.862 1.954 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922059 876102687 /nfs/dbraw/zinc/10/26/87/876102687.db2.gz OTWRDSBKIPIHEC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213921508 876103069 /nfs/dbraw/zinc/10/30/69/876103069.db2.gz CEGNIJIPPQDAID-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/CC)C1 ZINC001214879472 876492323 /nfs/dbraw/zinc/49/23/23/876492323.db2.gz ZUTFTZQVEDRHLM-OPGNADACSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C/CC)C1 ZINC001214879472 876492326 /nfs/dbraw/zinc/49/23/26/876492326.db2.gz ZUTFTZQVEDRHLM-OPGNADACSA-N 2 1 317.477 1.877 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539836 876745214 /nfs/dbraw/zinc/74/52/14/876745214.db2.gz AEHQPMHYLODLSC-RKVPGOIHSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215773891 876804643 /nfs/dbraw/zinc/80/46/43/876804643.db2.gz CDOWVBLTZRHUQE-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCCC3)[C@H]2C1 ZINC001219031997 877880287 /nfs/dbraw/zinc/88/02/87/877880287.db2.gz MAXSJLSGHAEGJK-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP CSc1nc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)ccc1C#N ZINC001222094357 880239973 /nfs/dbraw/zinc/23/99/73/880239973.db2.gz CUMATMLRBDCPES-UHFFFAOYSA-N 2 1 317.462 1.203 20 30 DDEDMP CSc1nc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)ccc1C#N ZINC001222094357 880239987 /nfs/dbraw/zinc/23/99/87/880239987.db2.gz CUMATMLRBDCPES-UHFFFAOYSA-N 2 1 317.462 1.203 20 30 DDEDMP C=CCOc1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222100011 880252050 /nfs/dbraw/zinc/25/20/50/880252050.db2.gz PZLNDFRINFHDFX-UHFFFAOYSA-N 2 1 301.434 1.779 20 30 DDEDMP N#Cc1c(F)cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1F ZINC001222502593 880516889 /nfs/dbraw/zinc/51/68/89/880516889.db2.gz NFYJJCBSRBKZGE-HOTGVXAUSA-N 2 1 306.360 1.362 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001228066598 883318250 /nfs/dbraw/zinc/31/82/50/883318250.db2.gz XGERCDPHPLDKHX-UHFFFAOYSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001228603766 883569271 /nfs/dbraw/zinc/56/92/71/883569271.db2.gz UUNAEZBQIZSSNJ-BRWVUGGUSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001277436052 884259716 /nfs/dbraw/zinc/25/97/16/884259716.db2.gz ZBOUJZLPIAKLJO-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP Cn1c[nH+]cc1N1[C@@H]2CC[C@H]1C[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001277765853 886804835 /nfs/dbraw/zinc/80/48/35/886804835.db2.gz UILHPGNKRNJDNZ-GASCZTMLSA-N 2 1 310.405 1.483 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277939817 888588911 /nfs/dbraw/zinc/58/89/11/888588911.db2.gz ABDVXXLQDWYUOJ-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC001235609084 888799841 /nfs/dbraw/zinc/79/98/41/888799841.db2.gz KQNOWNUZXXPRPH-AEFFLSMTSA-N 2 1 301.434 1.600 20 30 DDEDMP C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277959700 888852970 /nfs/dbraw/zinc/85/29/70/888852970.db2.gz BJGJYVCSBXQHNS-BHYGNILZSA-N 2 1 316.449 1.421 20 30 DDEDMP C[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277959700 888852974 /nfs/dbraw/zinc/85/29/74/888852974.db2.gz BJGJYVCSBXQHNS-BHYGNILZSA-N 2 1 316.449 1.421 20 30 DDEDMP C[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277959700 888852990 /nfs/dbraw/zinc/85/29/90/888852990.db2.gz BJGJYVCSBXQHNS-BHYGNILZSA-N 2 1 316.449 1.421 20 30 DDEDMP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278550283 894193181 /nfs/dbraw/zinc/19/31/81/894193181.db2.gz OJBYQKWJXGFLJC-FUHWJXTLSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001251893921 894872883 /nfs/dbraw/zinc/87/28/83/894872883.db2.gz NBMRKAWZSSUFAH-IBGZPJMESA-N 2 1 316.445 1.294 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001252484041 895203775 /nfs/dbraw/zinc/20/37/75/895203775.db2.gz YJFQZLPXYAIEPM-SFHVURJKSA-N 2 1 320.433 1.172 20 30 DDEDMP C=C[C@](C)(O)C[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001252550683 895263154 /nfs/dbraw/zinc/26/31/54/895263154.db2.gz NRXYRAGYUDXVFQ-KRWDZBQOSA-N 2 1 319.453 1.059 20 30 DDEDMP C=C[C@@](C)(O)C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001252575902 895288389 /nfs/dbraw/zinc/28/83/89/895288389.db2.gz FSYILSDJSZFMCH-GUDVDZBRSA-N 2 1 321.509 1.852 20 30 DDEDMP C=CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001278878866 897080700 /nfs/dbraw/zinc/08/07/00/897080700.db2.gz VQCQLLBUKUZQFZ-MRXNPFEDSA-N 2 1 311.470 1.046 20 30 DDEDMP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001367847470 898012360 /nfs/dbraw/zinc/01/23/60/898012360.db2.gz VMFNURZXGPHZHD-ZDUSSCGKSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001367847470 898012375 /nfs/dbraw/zinc/01/23/75/898012375.db2.gz VMFNURZXGPHZHD-ZDUSSCGKSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC001367847470 898012382 /nfs/dbraw/zinc/01/23/82/898012382.db2.gz VMFNURZXGPHZHD-ZDUSSCGKSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001367847470 898012388 /nfs/dbraw/zinc/01/23/88/898012388.db2.gz VMFNURZXGPHZHD-ZDUSSCGKSA-N 2 1 322.478 1.898 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001390093333 898669784 /nfs/dbraw/zinc/66/97/84/898669784.db2.gz WPCJCXFPKTVESK-RBSFLKMASA-N 2 1 313.873 1.907 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374963019 914465465 /nfs/dbraw/zinc/46/54/65/914465465.db2.gz ZSSBJJLDMRTSQB-STQMWFEESA-N 2 1 320.462 1.556 20 30 DDEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001264492648 901147272 /nfs/dbraw/zinc/14/72/72/901147272.db2.gz YMSFAXUMXNEKQF-GVDBMIGSSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001264492643 901148103 /nfs/dbraw/zinc/14/81/03/901148103.db2.gz YEIPWJXQLGTAQJ-GVDBMIGSSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001264492643 901148107 /nfs/dbraw/zinc/14/81/07/901148107.db2.gz YEIPWJXQLGTAQJ-GVDBMIGSSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001265370730 901934506 /nfs/dbraw/zinc/93/45/06/901934506.db2.gz XHWUGBUDOLOXDH-RHSMWYFYSA-N 2 1 311.445 1.869 20 30 DDEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001281742282 905190764 /nfs/dbraw/zinc/19/07/64/905190764.db2.gz BKNRAZCRZJBZKW-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001282624657 905907777 /nfs/dbraw/zinc/90/77/77/905907777.db2.gz MHSNLUATERPGTM-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001283556756 907597333 /nfs/dbraw/zinc/59/73/33/907597333.db2.gz LPOKXMRAASZJCY-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001283556756 907597341 /nfs/dbraw/zinc/59/73/41/907597341.db2.gz LPOKXMRAASZJCY-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001284087941 908455890 /nfs/dbraw/zinc/45/58/90/908455890.db2.gz SOLPKOLUVMXIDP-IXDOHACOSA-N 2 1 314.433 1.432 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1cccc(C#N)c1)CCO2 ZINC000592183586 355527641 /nfs/dbraw/zinc/52/76/41/355527641.db2.gz UOVMLRPDODUZNT-UHFFFAOYSA-N 2 1 315.417 1.734 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1cccc(C#N)c1)CCO2 ZINC000592183586 355527645 /nfs/dbraw/zinc/52/76/45/355527645.db2.gz UOVMLRPDODUZNT-UHFFFAOYSA-N 2 1 315.417 1.734 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000594442659 356217274 /nfs/dbraw/zinc/21/72/74/356217274.db2.gz HMAMIMOAAVYGMH-HYVNUMGLSA-N 2 1 318.465 1.873 20 30 DDEDMP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])CCCCC#N)sc2C1 ZINC000594445136 356218248 /nfs/dbraw/zinc/21/82/48/356218248.db2.gz APIWHVKLNZYSRZ-NSHDSACASA-N 2 1 321.450 1.871 20 30 DDEDMP CC[N@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])CCCCC#N)sc2C1 ZINC000594445136 356218251 /nfs/dbraw/zinc/21/82/51/356218251.db2.gz APIWHVKLNZYSRZ-NSHDSACASA-N 2 1 321.450 1.871 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000595906733 356701193 /nfs/dbraw/zinc/70/11/93/356701193.db2.gz MMCSDGZDEVXARP-SFHVURJKSA-N 2 1 317.433 1.980 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000595906733 356701195 /nfs/dbraw/zinc/70/11/95/356701195.db2.gz MMCSDGZDEVXARP-SFHVURJKSA-N 2 1 317.433 1.980 20 30 DDEDMP Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942715 357393135 /nfs/dbraw/zinc/39/31/35/357393135.db2.gz MBKHYYRJQJCTAL-LBPRGKRZSA-N 2 1 305.426 1.197 20 30 DDEDMP Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942715 357393137 /nfs/dbraw/zinc/39/31/37/357393137.db2.gz MBKHYYRJQJCTAL-LBPRGKRZSA-N 2 1 305.426 1.197 20 30 DDEDMP CN(CC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000598599378 357648517 /nfs/dbraw/zinc/64/85/17/357648517.db2.gz MUCOGSNUCJJNLY-INIZCTEOSA-N 2 1 310.486 1.245 20 30 DDEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600721373 358295251 /nfs/dbraw/zinc/29/52/51/358295251.db2.gz LNOSLGVWBHQGCR-HZPDHXFCSA-N 2 1 309.454 1.379 20 30 DDEDMP C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C1=CC[N@@H+](C)CC1 ZINC000600733814 358300512 /nfs/dbraw/zinc/30/05/12/358300512.db2.gz FLNYPFUOPJVQRZ-RHSMWYFYSA-N 2 1 315.417 1.538 20 30 DDEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602547118 359038327 /nfs/dbraw/zinc/03/83/27/359038327.db2.gz ZWGWNJGDRYUEMT-UHFFFAOYSA-N 2 1 301.438 1.316 20 30 DDEDMP COc1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)ccc1C#N ZINC000602669067 359113410 /nfs/dbraw/zinc/11/34/10/359113410.db2.gz ZJDIOWYBMCFJMP-UHFFFAOYSA-N 2 1 317.433 1.892 20 30 DDEDMP N#C[C@H](c1ccccc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603221917 359494077 /nfs/dbraw/zinc/49/40/77/359494077.db2.gz PQBHXIYVXXDYFG-QGZVFWFLSA-N 2 1 310.405 1.357 20 30 DDEDMP N#Cc1ncn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000285341428 218387865 /nfs/dbraw/zinc/38/78/65/218387865.db2.gz ADYVEKAQGLJXFV-UHFFFAOYSA-N 2 1 310.405 1.404 20 30 DDEDMP C#CC[N@H+](CC(=O)NCC(C)(C)N1CCOCC1)C1CCCC1 ZINC000155732480 408203768 /nfs/dbraw/zinc/20/37/68/408203768.db2.gz OIJBETDFZDPGJL-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCN(CC(=O)NCC(C)(C)N1CCOCC1)C1CCCC1 ZINC000155732480 408203776 /nfs/dbraw/zinc/20/37/76/408203776.db2.gz OIJBETDFZDPGJL-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000162487043 408705516 /nfs/dbraw/zinc/70/55/16/408705516.db2.gz GCVLAJDXHAIYKT-OAHLLOKOSA-N 2 1 306.454 1.555 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000162487043 408705517 /nfs/dbraw/zinc/70/55/17/408705517.db2.gz GCVLAJDXHAIYKT-OAHLLOKOSA-N 2 1 306.454 1.555 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccc(C(F)F)n1 ZINC000287001796 409003011 /nfs/dbraw/zinc/00/30/11/409003011.db2.gz FCJHQZHMHRUKPN-JTQLQIEISA-N 2 1 312.368 1.303 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292046249 408969552 /nfs/dbraw/zinc/96/95/52/408969552.db2.gz AWLVVRRRBGQABQ-CVEARBPZSA-N 2 1 300.406 1.891 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292046249 408969554 /nfs/dbraw/zinc/96/95/54/408969554.db2.gz AWLVVRRRBGQABQ-CVEARBPZSA-N 2 1 300.406 1.891 20 30 DDEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292046249 408969555 /nfs/dbraw/zinc/96/95/55/408969555.db2.gz AWLVVRRRBGQABQ-CVEARBPZSA-N 2 1 300.406 1.891 20 30 DDEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292046249 408969557 /nfs/dbraw/zinc/96/95/57/408969557.db2.gz AWLVVRRRBGQABQ-CVEARBPZSA-N 2 1 300.406 1.891 20 30 DDEDMP C=CC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1cccs1 ZINC000338262251 409846957 /nfs/dbraw/zinc/84/69/57/409846957.db2.gz HUEBBROPOBRSDA-UHFFFAOYSA-N 2 1 307.463 1.900 20 30 DDEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccs1 ZINC000338262251 409846974 /nfs/dbraw/zinc/84/69/74/409846974.db2.gz HUEBBROPOBRSDA-UHFFFAOYSA-N 2 1 307.463 1.900 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000358822494 410533238 /nfs/dbraw/zinc/53/32/38/410533238.db2.gz YEPOJCVRIPXNKO-UHFFFAOYSA-N 2 1 308.470 1.810 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652360743 422979665 /nfs/dbraw/zinc/97/96/65/422979665.db2.gz PFJKOBOBMFCEIU-ZACQAIPSSA-N 2 1 321.465 1.548 20 30 DDEDMP C=CCN1CC[C@@H]([NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1=O ZINC000374111476 418489520 /nfs/dbraw/zinc/48/95/20/418489520.db2.gz BYHNIKULKCRXDB-OAHLLOKOSA-N 2 1 302.422 1.462 20 30 DDEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261656806 222253036 /nfs/dbraw/zinc/25/30/36/222253036.db2.gz AEPPFABDAFACOP-YGRLFVJLSA-N 2 1 321.494 1.908 20 30 DDEDMP C[NH+]=C(NCCC1=CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261833388 222259244 /nfs/dbraw/zinc/25/92/44/222259244.db2.gz VNLWHPFILLVQFC-QGZVFWFLSA-N 2 1 320.481 1.716 20 30 DDEDMP C[NH+]=C(NCCC1=CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261833387 222259443 /nfs/dbraw/zinc/25/94/43/222259443.db2.gz VNLWHPFILLVQFC-KRWDZBQOSA-N 2 1 320.481 1.716 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC[C@]2(CCOC2)C1 ZINC000261988871 222268453 /nfs/dbraw/zinc/26/84/53/222268453.db2.gz QVTBYEOWRGHRCR-RDJZCZTQSA-N 2 1 308.470 1.406 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367502828 418607033 /nfs/dbraw/zinc/60/70/33/418607033.db2.gz MCWCNTHFGLVJOB-KRWDZBQOSA-N 2 1 320.481 1.946 20 30 DDEDMP [NH2+]=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@H]1CCOc2ccccc21 ZINC000262479942 222282834 /nfs/dbraw/zinc/28/28/34/222282834.db2.gz RAFIZFTVJNZHAT-OCCSQVGLSA-N 2 1 311.389 1.626 20 30 DDEDMP C=CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000264119767 222321447 /nfs/dbraw/zinc/32/14/47/222321447.db2.gz UQBFEJYSRWUKNB-UHFFFAOYSA-N 2 1 315.465 1.414 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc(O)cc1 ZINC000267438654 222385181 /nfs/dbraw/zinc/38/51/81/222385181.db2.gz OPJFMKXHFMYFFI-OAHLLOKOSA-N 2 1 304.438 1.713 20 30 DDEDMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000368050162 418679417 /nfs/dbraw/zinc/67/94/17/418679417.db2.gz CZVQZPGMGUCKPF-OAHLLOKOSA-N 2 1 302.422 1.611 20 30 DDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000368050162 418679419 /nfs/dbraw/zinc/67/94/19/418679419.db2.gz CZVQZPGMGUCKPF-OAHLLOKOSA-N 2 1 302.422 1.611 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369615321 418735988 /nfs/dbraw/zinc/73/59/88/418735988.db2.gz YNSPWOHAYKOZNU-MRXNPFEDSA-N 2 1 306.454 1.517 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000370077090 418740865 /nfs/dbraw/zinc/74/08/65/418740865.db2.gz JFJLKORAUZHEMY-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370077090 418740868 /nfs/dbraw/zinc/74/08/68/418740868.db2.gz JFJLKORAUZHEMY-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000371480748 418795417 /nfs/dbraw/zinc/79/54/17/418795417.db2.gz QRXAJKNQWRNWNM-GDBMZVCRSA-N 2 1 306.454 1.372 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424133190 228232801 /nfs/dbraw/zinc/23/28/01/228232801.db2.gz JDZKFROXPSBMLS-JKSUJKDBSA-N 2 1 300.406 1.398 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000491340759 421196758 /nfs/dbraw/zinc/19/67/58/421196758.db2.gz ZYVVCNLUEYVWFL-OAHLLOKOSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000491638010 421200548 /nfs/dbraw/zinc/20/05/48/421200548.db2.gz VGZGXZLADBJFIT-MRXNPFEDSA-N 2 1 306.454 1.211 20 30 DDEDMP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527377478 421383814 /nfs/dbraw/zinc/38/38/14/421383814.db2.gz XBXMZWGABHCPEY-HUUCEWRRSA-N 2 1 318.465 1.791 20 30 DDEDMP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000527377478 421383815 /nfs/dbraw/zinc/38/38/15/421383815.db2.gz XBXMZWGABHCPEY-HUUCEWRRSA-N 2 1 318.465 1.791 20 30 DDEDMP C=CC[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000628405490 422167590 /nfs/dbraw/zinc/16/75/90/422167590.db2.gz NMBGRPUCXMROIX-HNNXBMFYSA-N 2 1 301.438 1.626 20 30 DDEDMP C=CC[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000628405490 422167597 /nfs/dbraw/zinc/16/75/97/422167597.db2.gz NMBGRPUCXMROIX-HNNXBMFYSA-N 2 1 301.438 1.626 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000577172215 422383116 /nfs/dbraw/zinc/38/31/16/422383116.db2.gz MAAUUIYGKDAVKY-UHFFFAOYSA-N 2 1 302.422 1.959 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@H](C)COC)CC1 ZINC000577947510 422461860 /nfs/dbraw/zinc/46/18/60/422461860.db2.gz JCSHKGNHLIJMAP-ZBFHGGJFSA-N 2 1 300.443 1.029 20 30 DDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103614 423335145 /nfs/dbraw/zinc/33/51/45/423335145.db2.gz KVKSYKJTHVYLNH-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103614 423335150 /nfs/dbraw/zinc/33/51/50/423335150.db2.gz KVKSYKJTHVYLNH-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[C@]1(C(=O)NCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000662692350 424737227 /nfs/dbraw/zinc/73/72/27/424737227.db2.gz CVTMUCMYALRVMR-GOSISDBHSA-N 2 1 301.434 1.933 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261980745 278166400 /nfs/dbraw/zinc/16/64/00/278166400.db2.gz OVLNTBWKYLXDDS-DZGCQCFKSA-N 2 1 308.470 1.329 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000542708667 341018458 /nfs/dbraw/zinc/01/84/58/341018458.db2.gz KXBJNQSCSQHYAZ-UHFFFAOYSA-N 2 1 302.422 1.529 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433906032 526435093 /nfs/dbraw/zinc/43/50/93/526435093.db2.gz YTPGUGWAPWEEII-QGZVFWFLSA-N 2 1 320.481 1.953 20 30 DDEDMP C#C[C@H](C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000491779629 527330535 /nfs/dbraw/zinc/33/05/35/527330535.db2.gz CULTVXIDTATZFZ-INIZCTEOSA-N 2 1 313.445 1.852 20 30 DDEDMP C#C[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000491779629 527330541 /nfs/dbraw/zinc/33/05/41/527330541.db2.gz CULTVXIDTATZFZ-INIZCTEOSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980242901 696716703 /nfs/dbraw/zinc/71/67/03/696716703.db2.gz UZDZDUGRSNNEII-ULQDDVLXSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980242901 696716706 /nfs/dbraw/zinc/71/67/06/696716706.db2.gz UZDZDUGRSNNEII-ULQDDVLXSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980242894 696716745 /nfs/dbraw/zinc/71/67/45/696716745.db2.gz UZDZDUGRSNNEII-BBWFWOEESA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980242894 696716746 /nfs/dbraw/zinc/71/67/46/696716746.db2.gz UZDZDUGRSNNEII-BBWFWOEESA-N 2 1 314.433 1.432 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980241522 696716771 /nfs/dbraw/zinc/71/67/71/696716771.db2.gz QZZNMIUXILLESV-XHSDSOJGSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980241522 696716772 /nfs/dbraw/zinc/71/67/72/696716772.db2.gz QZZNMIUXILLESV-XHSDSOJGSA-N 2 1 302.422 1.594 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972432048 695250081 /nfs/dbraw/zinc/25/00/81/695250081.db2.gz XONXVXDRFZIRKA-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974577463 695688793 /nfs/dbraw/zinc/68/87/93/695688793.db2.gz NRQBEHXJFLUNSX-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974577463 695688796 /nfs/dbraw/zinc/68/87/96/695688796.db2.gz NRQBEHXJFLUNSX-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974577463 695688797 /nfs/dbraw/zinc/68/87/97/695688797.db2.gz NRQBEHXJFLUNSX-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877416 695751756 /nfs/dbraw/zinc/75/17/56/695751756.db2.gz SGQGZAQCOGFZRX-HZPDHXFCSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)CC2(C)C)CC1 ZINC000977658453 696246857 /nfs/dbraw/zinc/24/68/57/696246857.db2.gz UFDYJHVZDIBPJA-QGZVFWFLSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980181916 696702258 /nfs/dbraw/zinc/70/22/58/696702258.db2.gz BIIBZEANJMGAAC-BZSNNMDCSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC000981874331 696950670 /nfs/dbraw/zinc/95/06/70/696950670.db2.gz HCXRMCSRBYRCMG-UHFFFAOYSA-N 2 1 308.385 1.506 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982113083 697033549 /nfs/dbraw/zinc/03/35/49/697033549.db2.gz JIYAYTDKLUMFAE-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982113083 697033551 /nfs/dbraw/zinc/03/35/51/697033551.db2.gz JIYAYTDKLUMFAE-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982113083 697033553 /nfs/dbraw/zinc/03/35/53/697033553.db2.gz JIYAYTDKLUMFAE-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982220990 697063837 /nfs/dbraw/zinc/06/38/37/697063837.db2.gz GILGVWRRXZMPKT-UHFFFAOYSA-N 2 1 309.454 1.209 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000982220990 697063840 /nfs/dbraw/zinc/06/38/40/697063840.db2.gz GILGVWRRXZMPKT-UHFFFAOYSA-N 2 1 309.454 1.209 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC000981483062 697107999 /nfs/dbraw/zinc/10/79/99/697107999.db2.gz DMAUTOJBMCNCKQ-HNNXBMFYSA-N 2 1 300.406 1.003 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982556535 697150072 /nfs/dbraw/zinc/15/00/72/697150072.db2.gz HKAPSRLVFGWNPJ-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982556535 697150073 /nfs/dbraw/zinc/15/00/73/697150073.db2.gz HKAPSRLVFGWNPJ-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982556535 697150074 /nfs/dbraw/zinc/15/00/74/697150074.db2.gz HKAPSRLVFGWNPJ-QRQLOZEOSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccnc3C)C[C@@]2(C)C1 ZINC000982808586 697181033 /nfs/dbraw/zinc/18/10/33/697181033.db2.gz PQIBHGDOEQRULO-HDICACEKSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982808586 697181035 /nfs/dbraw/zinc/18/10/35/697181035.db2.gz PQIBHGDOEQRULO-HDICACEKSA-N 2 1 314.433 1.385 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000985468979 697516080 /nfs/dbraw/zinc/51/60/80/697516080.db2.gz CNAAFXJTBJRCKG-HNNXBMFYSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000985468979 697516081 /nfs/dbraw/zinc/51/60/81/697516081.db2.gz CNAAFXJTBJRCKG-HNNXBMFYSA-N 2 1 302.422 1.869 20 30 DDEDMP C[C@H]1CNC(NN=C2CC[N@@H+](Cc3ccccn3)C[C@H]2C)=[NH+]1 ZINC000779792047 698465728 /nfs/dbraw/zinc/46/57/28/698465728.db2.gz NWMBLOPZKJZGLE-OLZOCXBDSA-N 2 1 300.410 1.217 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303704733 698605643 /nfs/dbraw/zinc/60/56/43/698605643.db2.gz KLNCFONCOSNAID-LBPRGKRZSA-N 2 1 306.410 1.915 20 30 DDEDMP CC(C)NC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000303889514 698609851 /nfs/dbraw/zinc/60/98/51/698609851.db2.gz LYWLDWPWEWKBCU-KRWDZBQOSA-N 2 1 317.481 1.678 20 30 DDEDMP CC(C)NC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000303889514 698609853 /nfs/dbraw/zinc/60/98/53/698609853.db2.gz LYWLDWPWEWKBCU-KRWDZBQOSA-N 2 1 317.481 1.678 20 30 DDEDMP CC(C)NC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000303889514 698609857 /nfs/dbraw/zinc/60/98/57/698609857.db2.gz LYWLDWPWEWKBCU-KRWDZBQOSA-N 2 1 317.481 1.678 20 30 DDEDMP CCCC[N@@H+](C)CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000304738609 698623724 /nfs/dbraw/zinc/62/37/24/698623724.db2.gz AUWHWXKOYCTGEP-UHFFFAOYSA-N 2 1 322.453 1.840 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+](C(C)C)C(C)C ZINC000304814475 698625563 /nfs/dbraw/zinc/62/55/63/698625563.db2.gz ZTYPIBYQZWLOOA-MRXNPFEDSA-N 3 1 311.518 1.884 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C[NH+](C)C)CCCC1 ZINC000305818176 698657283 /nfs/dbraw/zinc/65/72/83/698657283.db2.gz NKNJZFUZASZSQJ-OAHLLOKOSA-N 3 1 309.502 1.497 20 30 DDEDMP C#CCNC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000787301222 699204520 /nfs/dbraw/zinc/20/45/20/699204520.db2.gz FUFGKRSWVCPKJF-HZPDHXFCSA-N 2 1 313.445 1.482 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355463 699304846 /nfs/dbraw/zinc/30/48/46/699304846.db2.gz BKKXFNZHHQJQOR-YFHUEUNASA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355463 699304850 /nfs/dbraw/zinc/30/48/50/699304850.db2.gz BKKXFNZHHQJQOR-YFHUEUNASA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355463 699304853 /nfs/dbraw/zinc/30/48/53/699304853.db2.gz BKKXFNZHHQJQOR-YFHUEUNASA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355463 699304855 /nfs/dbraw/zinc/30/48/55/699304855.db2.gz BKKXFNZHHQJQOR-YFHUEUNASA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000732146909 699547702 /nfs/dbraw/zinc/54/77/02/699547702.db2.gz HLVDMLBZPLAZHB-KRWDZBQOSA-N 2 1 305.466 1.856 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000732146909 699547703 /nfs/dbraw/zinc/54/77/03/699547703.db2.gz HLVDMLBZPLAZHB-KRWDZBQOSA-N 2 1 305.466 1.856 20 30 DDEDMP C#CC[C@@H]1CCC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000842628261 702745664 /nfs/dbraw/zinc/74/56/64/702745664.db2.gz ABZSODMTGAFBAC-CRAIPNDOSA-N 2 1 317.433 1.596 20 30 DDEDMP C#CC[C@@H]1CCC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000842628261 702745666 /nfs/dbraw/zinc/74/56/66/702745666.db2.gz ABZSODMTGAFBAC-CRAIPNDOSA-N 2 1 317.433 1.596 20 30 DDEDMP C=C(C)CONC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000845597029 703179937 /nfs/dbraw/zinc/17/99/37/703179937.db2.gz ADEQAOZGRDAIDJ-HNNXBMFYSA-N 2 1 312.458 1.552 20 30 DDEDMP C[NH+](C)CCCNC(=S)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848405265 703547134 /nfs/dbraw/zinc/54/71/34/703547134.db2.gz DYNBIRACXNFRSC-AWEZNQCLSA-N 2 1 311.499 1.407 20 30 DDEDMP C[NH+](C)CCCNC(=S)NN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848405265 703547135 /nfs/dbraw/zinc/54/71/35/703547135.db2.gz DYNBIRACXNFRSC-AWEZNQCLSA-N 2 1 311.499 1.407 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000849042552 703614348 /nfs/dbraw/zinc/61/43/48/703614348.db2.gz SFONPOUSACMDKH-IAGOWNOFSA-N 2 1 316.449 1.823 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000869801105 703855021 /nfs/dbraw/zinc/85/50/21/703855021.db2.gz OGQPXKXLQLTXJA-CRAIPNDOSA-N 2 1 315.461 1.989 20 30 DDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585426 704533108 /nfs/dbraw/zinc/53/31/08/704533108.db2.gz DWLREZMCXADLKD-MSOLQXFVSA-N 2 1 319.449 1.923 20 30 DDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585426 704533109 /nfs/dbraw/zinc/53/31/09/704533109.db2.gz DWLREZMCXADLKD-MSOLQXFVSA-N 2 1 319.449 1.923 20 30 DDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585426 704533110 /nfs/dbraw/zinc/53/31/10/704533110.db2.gz DWLREZMCXADLKD-MSOLQXFVSA-N 2 1 319.449 1.923 20 30 DDEDMP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876750686 705857110 /nfs/dbraw/zinc/85/71/10/705857110.db2.gz XYIWZCWZUXKRMP-MRXNPFEDSA-N 2 1 300.406 1.201 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(OCC#N)cc1)CCO2 ZINC000830636282 706550325 /nfs/dbraw/zinc/55/03/25/706550325.db2.gz APZKHEHRRYFFDC-UHFFFAOYSA-N 2 1 315.417 1.886 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(OCC#N)cc1)CCO2 ZINC000830636282 706550328 /nfs/dbraw/zinc/55/03/28/706550328.db2.gz APZKHEHRRYFFDC-UHFFFAOYSA-N 2 1 315.417 1.886 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000834495170 707071020 /nfs/dbraw/zinc/07/10/20/707071020.db2.gz SRMBVFBMINKWSF-BRWVUGGUSA-N 2 1 312.417 1.126 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCC)CC2)C1 ZINC000884024660 708107039 /nfs/dbraw/zinc/10/70/39/708107039.db2.gz YIHLVXGPCOAAEC-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCC)CC2)C1 ZINC000884024660 708107040 /nfs/dbraw/zinc/10/70/40/708107040.db2.gz YIHLVXGPCOAAEC-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ncoc1C[NH3+])C(C)C ZINC000884191661 708180349 /nfs/dbraw/zinc/18/03/49/708180349.db2.gz JUATWARWFVMUGW-CYBMUJFWSA-N 2 1 306.410 1.562 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000884195075 708182529 /nfs/dbraw/zinc/18/25/29/708182529.db2.gz ATSMMMSHIYGYLI-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000884195075 708182530 /nfs/dbraw/zinc/18/25/30/708182530.db2.gz ATSMMMSHIYGYLI-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000884457295 708304547 /nfs/dbraw/zinc/30/45/47/708304547.db2.gz YSTDRLCELUZSTQ-GJZGRUSLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000884457295 708304551 /nfs/dbraw/zinc/30/45/51/708304551.db2.gz YSTDRLCELUZSTQ-GJZGRUSLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000884457295 708304554 /nfs/dbraw/zinc/30/45/54/708304554.db2.gz YSTDRLCELUZSTQ-GJZGRUSLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000884457295 708304557 /nfs/dbraw/zinc/30/45/57/708304557.db2.gz YSTDRLCELUZSTQ-GJZGRUSLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC(C)(C)C[N@@H+](C)CCC)C1 ZINC000890361530 709835376 /nfs/dbraw/zinc/83/53/76/709835376.db2.gz TXCLLXLGSBCJNM-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC(C)(C)C[N@H+](C)CCC)C1 ZINC000890361530 709835381 /nfs/dbraw/zinc/83/53/81/709835381.db2.gz TXCLLXLGSBCJNM-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+](C)CCC)C1 ZINC000890361530 709835386 /nfs/dbraw/zinc/83/53/86/709835386.db2.gz TXCLLXLGSBCJNM-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+](C)CCC)C1 ZINC000890361530 709835390 /nfs/dbraw/zinc/83/53/90/709835390.db2.gz TXCLLXLGSBCJNM-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCC)CCC[NH+](C)C)C1 ZINC000890366776 709839705 /nfs/dbraw/zinc/83/97/05/709839705.db2.gz DKYVUJFHOZPFIM-INIZCTEOSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCC)CCC[NH+](C)C)C1 ZINC000890366776 709839708 /nfs/dbraw/zinc/83/97/08/709839708.db2.gz DKYVUJFHOZPFIM-INIZCTEOSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000914150192 713348968 /nfs/dbraw/zinc/34/89/68/713348968.db2.gz MFFBLAUTTFDPAQ-CVEARBPZSA-N 2 1 304.438 1.010 20 30 DDEDMP C[NH+]1CCN(N=C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000915934091 713435863 /nfs/dbraw/zinc/43/58/63/713435863.db2.gz RKDVGXVARWFFBD-UHFFFAOYSA-N 2 1 300.450 1.928 20 30 DDEDMP C#CCCCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000930169304 713771473 /nfs/dbraw/zinc/77/14/73/713771473.db2.gz WEAFFBCPNSCFQX-UHFFFAOYSA-N 2 1 308.466 1.729 20 30 DDEDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923371425 714331513 /nfs/dbraw/zinc/33/15/13/714331513.db2.gz XCVPILVCQSNWJO-SMKXDYDZSA-N 2 1 303.406 1.274 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960276876 716476937 /nfs/dbraw/zinc/47/69/37/716476937.db2.gz BRTUVYDZXCNATF-TWMKSMIVSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960276876 716476942 /nfs/dbraw/zinc/47/69/42/716476942.db2.gz BRTUVYDZXCNATF-TWMKSMIVSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960276876 716476945 /nfs/dbraw/zinc/47/69/45/716476945.db2.gz BRTUVYDZXCNATF-TWMKSMIVSA-N 2 1 303.450 1.626 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCF)CC1(C)C ZINC000940807444 716969333 /nfs/dbraw/zinc/96/93/33/716969333.db2.gz PECCLVBXOXSHDP-HOTGVXAUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCF)CC1(C)C ZINC000940807444 716969336 /nfs/dbraw/zinc/96/93/36/716969336.db2.gz PECCLVBXOXSHDP-HOTGVXAUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCF)CC1(C)C ZINC000940807444 716969338 /nfs/dbraw/zinc/96/93/38/716969338.db2.gz PECCLVBXOXSHDP-HOTGVXAUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCF)CC1(C)C ZINC000940807444 716969341 /nfs/dbraw/zinc/96/93/41/716969341.db2.gz PECCLVBXOXSHDP-HOTGVXAUSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000961564469 717006325 /nfs/dbraw/zinc/00/63/25/717006325.db2.gz IFWIPZZZNGKSBZ-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961564469 717006327 /nfs/dbraw/zinc/00/63/27/717006327.db2.gz IFWIPZZZNGKSBZ-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961564469 717006330 /nfs/dbraw/zinc/00/63/30/717006330.db2.gz IFWIPZZZNGKSBZ-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C(C)(C)C1 ZINC000940973955 717055960 /nfs/dbraw/zinc/05/59/60/717055960.db2.gz ZYVXVBUPIGHIHZ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973955 717055962 /nfs/dbraw/zinc/05/59/62/717055962.db2.gz ZYVXVBUPIGHIHZ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973955 717055966 /nfs/dbraw/zinc/05/59/66/717055966.db2.gz ZYVXVBUPIGHIHZ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973955 717055968 /nfs/dbraw/zinc/05/59/68/717055968.db2.gz ZYVXVBUPIGHIHZ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973955 717055971 /nfs/dbraw/zinc/05/59/71/717055971.db2.gz ZYVXVBUPIGHIHZ-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033943 717081976 /nfs/dbraw/zinc/08/19/76/717081976.db2.gz YILVUZGUTMPOGJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033943 717081982 /nfs/dbraw/zinc/08/19/82/717081982.db2.gz YILVUZGUTMPOGJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941033943 717081988 /nfs/dbraw/zinc/08/19/88/717081988.db2.gz YILVUZGUTMPOGJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC000962553843 717509483 /nfs/dbraw/zinc/50/94/83/717509483.db2.gz MQWGXBYFBUTORN-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC000962553843 717509488 /nfs/dbraw/zinc/50/94/88/717509488.db2.gz MQWGXBYFBUTORN-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC000962553843 717509492 /nfs/dbraw/zinc/50/94/92/717509492.db2.gz MQWGXBYFBUTORN-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942171979 717522514 /nfs/dbraw/zinc/52/25/14/717522514.db2.gz HVEIIUQMRKUABX-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942305613 717608041 /nfs/dbraw/zinc/60/80/41/717608041.db2.gz UNIFTWRKCOCBRK-PBHICJAKSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801892 719274091 /nfs/dbraw/zinc/27/40/91/719274091.db2.gz QHPFXGZRTWWPBD-YJBOKZPZSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498172 719624598 /nfs/dbraw/zinc/62/45/98/719624598.db2.gz XNYAFPIYEQJYCA-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968797433 719792914 /nfs/dbraw/zinc/79/29/14/719792914.db2.gz XDSSAOGLCLMENX-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968797433 719792917 /nfs/dbraw/zinc/79/29/17/719792917.db2.gz XDSSAOGLCLMENX-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797433 719792919 /nfs/dbraw/zinc/79/29/19/719792919.db2.gz XDSSAOGLCLMENX-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797433 719792922 /nfs/dbraw/zinc/79/29/22/719792922.db2.gz XDSSAOGLCLMENX-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000968907850 719860247 /nfs/dbraw/zinc/86/02/47/719860247.db2.gz VTHPAQJTARBMMF-ZBFHGGJFSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968914624 719865728 /nfs/dbraw/zinc/86/57/28/719865728.db2.gz XZRISMUFLHYOTB-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968914624 719865730 /nfs/dbraw/zinc/86/57/30/719865730.db2.gz XZRISMUFLHYOTB-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968914624 719865734 /nfs/dbraw/zinc/86/57/34/719865734.db2.gz XZRISMUFLHYOTB-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968914624 719865739 /nfs/dbraw/zinc/86/57/39/719865739.db2.gz XZRISMUFLHYOTB-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCN(CC=C)CCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001207400115 735906404 /nfs/dbraw/zinc/90/64/04/735906404.db2.gz BBDVDJIBPUHUIY-UHFFFAOYSA-N 2 1 320.525 1.620 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001027685511 738549821 /nfs/dbraw/zinc/54/98/21/738549821.db2.gz NQDROJOWPOUQND-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)C(C)C)C2)CC1 ZINC001027694361 738557967 /nfs/dbraw/zinc/55/79/67/738557967.db2.gz WGRVVRBABIXYCB-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001020508234 732449859 /nfs/dbraw/zinc/44/98/59/732449859.db2.gz PSJYQUCSPZTCIS-IHRRRGAJSA-N 2 1 315.845 1.085 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001020508234 732449860 /nfs/dbraw/zinc/44/98/60/732449860.db2.gz PSJYQUCSPZTCIS-IHRRRGAJSA-N 2 1 315.845 1.085 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001167232680 732847837 /nfs/dbraw/zinc/84/78/37/732847837.db2.gz MFVVNJBSDNZVAW-SFHVURJKSA-N 2 1 323.456 1.708 20 30 DDEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172935 733081668 /nfs/dbraw/zinc/08/16/68/733081668.db2.gz JMLYNKDEPYNUEY-SJORKVTESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172935 733081671 /nfs/dbraw/zinc/08/16/71/733081671.db2.gz JMLYNKDEPYNUEY-SJORKVTESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172935 733081674 /nfs/dbraw/zinc/08/16/74/733081674.db2.gz JMLYNKDEPYNUEY-SJORKVTESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172934 733081736 /nfs/dbraw/zinc/08/17/36/733081736.db2.gz JMLYNKDEPYNUEY-IRXDYDNUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172934 733081739 /nfs/dbraw/zinc/08/17/39/733081739.db2.gz JMLYNKDEPYNUEY-IRXDYDNUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172934 733081742 /nfs/dbraw/zinc/08/17/42/733081742.db2.gz JMLYNKDEPYNUEY-IRXDYDNUSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167428072 733450622 /nfs/dbraw/zinc/45/06/22/733450622.db2.gz AEUHZHXOXUEEJZ-IAGOWNOFSA-N 2 1 317.477 1.903 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735933 733496124 /nfs/dbraw/zinc/49/61/24/733496124.db2.gz JPWLVOIYWDQVLM-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167459055 733628216 /nfs/dbraw/zinc/62/82/16/733628216.db2.gz PYHAGGRGNPISKS-UHFFFAOYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001022198807 734430456 /nfs/dbraw/zinc/43/04/56/734430456.db2.gz QYVVUURIUPABLO-SOUVJXGZSA-N 2 1 313.873 1.954 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001022221966 734439095 /nfs/dbraw/zinc/43/90/95/734439095.db2.gz TZCIYLFNSCKGHB-ZKLCHKPXSA-N 2 1 303.450 1.367 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001022221966 734439097 /nfs/dbraw/zinc/43/90/97/734439097.db2.gz TZCIYLFNSCKGHB-ZKLCHKPXSA-N 2 1 303.450 1.367 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414287 735220651 /nfs/dbraw/zinc/22/06/51/735220651.db2.gz PQEBRRDZKYQQNC-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414287 735220654 /nfs/dbraw/zinc/22/06/54/735220654.db2.gz PQEBRRDZKYQQNC-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414287 735220658 /nfs/dbraw/zinc/22/06/58/735220658.db2.gz PQEBRRDZKYQQNC-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447741 735243605 /nfs/dbraw/zinc/24/36/05/735243605.db2.gz VHJKMMQDFHALGL-HZPDHXFCSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC(C)C3)C[C@H]21 ZINC001025814066 736871205 /nfs/dbraw/zinc/87/12/05/736871205.db2.gz LXIZCAQSBOWUJM-IYCYBWODSA-N 2 1 315.461 1.177 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC(C)C3)C[C@H]21 ZINC001025814066 736871207 /nfs/dbraw/zinc/87/12/07/736871207.db2.gz LXIZCAQSBOWUJM-IYCYBWODSA-N 2 1 315.461 1.177 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CC(C)C3)C[C@H]21 ZINC001025814066 736871209 /nfs/dbraw/zinc/87/12/09/736871209.db2.gz LXIZCAQSBOWUJM-IYCYBWODSA-N 2 1 315.461 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC3CC(C)C3)C[C@H]21 ZINC001025814066 736871211 /nfs/dbraw/zinc/87/12/11/736871211.db2.gz LXIZCAQSBOWUJM-IYCYBWODSA-N 2 1 315.461 1.177 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594617 739759168 /nfs/dbraw/zinc/75/91/68/739759168.db2.gz ITOQNWHTJQTMFZ-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594617 739759170 /nfs/dbraw/zinc/75/91/70/739759170.db2.gz ITOQNWHTJQTMFZ-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594617 739759172 /nfs/dbraw/zinc/75/91/72/739759172.db2.gz ITOQNWHTJQTMFZ-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811853 740648482 /nfs/dbraw/zinc/64/84/82/740648482.db2.gz IKHXULLOQPOECQ-OWCLPIDISA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001075811853 740648485 /nfs/dbraw/zinc/64/84/85/740648485.db2.gz IKHXULLOQPOECQ-OWCLPIDISA-N 2 1 314.433 1.563 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998193394 751581754 /nfs/dbraw/zinc/58/17/54/751581754.db2.gz ZMIGJVKDJSVBPC-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998193394 751581761 /nfs/dbraw/zinc/58/17/61/751581761.db2.gz ZMIGJVKDJSVBPC-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998193394 751581764 /nfs/dbraw/zinc/58/17/64/751581764.db2.gz ZMIGJVKDJSVBPC-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087968636 740896242 /nfs/dbraw/zinc/89/62/42/740896242.db2.gz CIOGSCCVUITRQO-IXDOHACOSA-N 2 1 303.450 1.295 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170020 741083434 /nfs/dbraw/zinc/08/34/34/741083434.db2.gz ANKGNVJCIZZRKL-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170020 741083438 /nfs/dbraw/zinc/08/34/38/741083438.db2.gz ANKGNVJCIZZRKL-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088170020 741083443 /nfs/dbraw/zinc/08/34/43/741083443.db2.gz ANKGNVJCIZZRKL-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002873165 743536927 /nfs/dbraw/zinc/53/69/27/743536927.db2.gz ARNKXHGGBHXDOO-HOTGVXAUSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001182897217 743747783 /nfs/dbraw/zinc/74/77/83/743747783.db2.gz RAZWFSAJWJXWMI-SJLPKXTDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184691954 744081052 /nfs/dbraw/zinc/08/10/52/744081052.db2.gz BRTSFTDCAKEMMQ-KGLIPLIRSA-N 2 1 318.421 1.057 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001030957219 744958272 /nfs/dbraw/zinc/95/82/72/744958272.db2.gz XZOQAVNMKRYHPM-KRWDZBQOSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001030957219 744958275 /nfs/dbraw/zinc/95/82/75/744958275.db2.gz XZOQAVNMKRYHPM-KRWDZBQOSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238837 745157155 /nfs/dbraw/zinc/15/71/55/745157155.db2.gz QVFKISCKGQNVEX-OWCLPIDISA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238837 745157157 /nfs/dbraw/zinc/15/71/57/745157157.db2.gz QVFKISCKGQNVEX-OWCLPIDISA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238837 745157160 /nfs/dbraw/zinc/15/71/60/745157160.db2.gz QVFKISCKGQNVEX-OWCLPIDISA-N 2 1 309.454 1.062 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652839 745285085 /nfs/dbraw/zinc/28/50/85/745285085.db2.gz BHBNVSWJDYUEDU-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190652839 745285087 /nfs/dbraw/zinc/28/50/87/745285087.db2.gz BHBNVSWJDYUEDU-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190652839 745285089 /nfs/dbraw/zinc/28/50/89/745285089.db2.gz BHBNVSWJDYUEDU-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069591 745417535 /nfs/dbraw/zinc/41/75/35/745417535.db2.gz IKLYXEMHFCTWNE-CQSZACIVSA-N 2 1 320.437 1.849 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191069591 745417537 /nfs/dbraw/zinc/41/75/37/745417537.db2.gz IKLYXEMHFCTWNE-CQSZACIVSA-N 2 1 320.437 1.849 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001191543836 745538445 /nfs/dbraw/zinc/53/84/45/745538445.db2.gz UIAHGSLWTHYELR-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192354410 745764899 /nfs/dbraw/zinc/76/48/99/745764899.db2.gz LISZGLFALWBWAM-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192354410 745764902 /nfs/dbraw/zinc/76/49/02/745764902.db2.gz LISZGLFALWBWAM-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192354410 745764907 /nfs/dbraw/zinc/76/49/07/745764907.db2.gz LISZGLFALWBWAM-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671569 745857587 /nfs/dbraw/zinc/85/75/87/745857587.db2.gz NJTHAYZSTRLXGV-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671569 745857591 /nfs/dbraw/zinc/85/75/91/745857591.db2.gz NJTHAYZSTRLXGV-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671569 745857600 /nfs/dbraw/zinc/85/76/00/745857600.db2.gz NJTHAYZSTRLXGV-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767873 746046192 /nfs/dbraw/zinc/04/61/92/746046192.db2.gz XJGXZHZCUPACDH-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007331674 752098283 /nfs/dbraw/zinc/09/82/83/752098283.db2.gz DIKJYRAYVGOHJW-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007331674 752098290 /nfs/dbraw/zinc/09/82/90/752098290.db2.gz DIKJYRAYVGOHJW-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195900408 746725185 /nfs/dbraw/zinc/72/51/85/746725185.db2.gz MATBAWNKEXOCIH-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195900408 746725186 /nfs/dbraw/zinc/72/51/86/746725186.db2.gz MATBAWNKEXOCIH-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392734 746777546 /nfs/dbraw/zinc/77/75/46/746777546.db2.gz XBZIIKGEKJGQHW-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641725 746914638 /nfs/dbraw/zinc/91/46/38/746914638.db2.gz NAWMTHFLOYRQCR-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001196641725 746914643 /nfs/dbraw/zinc/91/46/43/746914643.db2.gz NAWMTHFLOYRQCR-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673311 747361566 /nfs/dbraw/zinc/36/15/66/747361566.db2.gz DRUQYDSYMHMPJK-INIZCTEOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001031729177 747586966 /nfs/dbraw/zinc/58/69/66/747586966.db2.gz HBMXQFUOFKZYHI-QGZVFWFLSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001089735250 747713379 /nfs/dbraw/zinc/71/33/79/747713379.db2.gz HLFHBQQIXYJICN-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001089735250 747713381 /nfs/dbraw/zinc/71/33/81/747713381.db2.gz HLFHBQQIXYJICN-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001089735250 747713384 /nfs/dbraw/zinc/71/33/84/747713384.db2.gz HLFHBQQIXYJICN-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001089735250 747713386 /nfs/dbraw/zinc/71/33/86/747713386.db2.gz HLFHBQQIXYJICN-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115279 748127106 /nfs/dbraw/zinc/12/71/06/748127106.db2.gz KUTXGVXPHKVZMM-UONOGXRCSA-N 2 1 315.845 1.040 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479916 748253969 /nfs/dbraw/zinc/25/39/69/748253969.db2.gz TVVMKACRSBRIQB-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004367181 748367690 /nfs/dbraw/zinc/36/76/90/748367690.db2.gz BZNKGXSYCKBKHK-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001004598114 748577195 /nfs/dbraw/zinc/57/71/95/748577195.db2.gz UEUQUVFNPYQEEN-SJLPKXTDSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004598114 748577199 /nfs/dbraw/zinc/57/71/99/748577199.db2.gz UEUQUVFNPYQEEN-SJLPKXTDSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004598114 748577202 /nfs/dbraw/zinc/57/72/02/748577202.db2.gz UEUQUVFNPYQEEN-SJLPKXTDSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](F)CC)C2)CC1 ZINC001032207162 748843312 /nfs/dbraw/zinc/84/33/12/748843312.db2.gz FTSQJQBURRJGAF-INIZCTEOSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249560 749173958 /nfs/dbraw/zinc/17/39/58/749173958.db2.gz GUQDIVHUKXSAOF-VQFNDLOPSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001114420236 749186996 /nfs/dbraw/zinc/18/69/96/749186996.db2.gz FJECTOFEGVPHEI-VVLHAWIVSA-N 2 1 321.440 1.270 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001114420236 749187002 /nfs/dbraw/zinc/18/70/02/749187002.db2.gz FJECTOFEGVPHEI-VVLHAWIVSA-N 2 1 321.440 1.270 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCCF)C[C@H]21 ZINC001114420236 749187003 /nfs/dbraw/zinc/18/70/03/749187003.db2.gz FJECTOFEGVPHEI-VVLHAWIVSA-N 2 1 321.440 1.270 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCCF)C[C@H]21 ZINC001114420236 749187010 /nfs/dbraw/zinc/18/70/10/749187010.db2.gz FJECTOFEGVPHEI-VVLHAWIVSA-N 2 1 321.440 1.270 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033355060 749258511 /nfs/dbraw/zinc/25/85/11/749258511.db2.gz UUANZGJRNHVELW-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033355060 749258516 /nfs/dbraw/zinc/25/85/16/749258516.db2.gz UUANZGJRNHVELW-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033355060 749258519 /nfs/dbraw/zinc/25/85/19/749258519.db2.gz UUANZGJRNHVELW-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001033468337 749393279 /nfs/dbraw/zinc/39/32/79/749393279.db2.gz XIYRQXFMQQHPKI-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033836417 749959481 /nfs/dbraw/zinc/95/94/81/749959481.db2.gz BNQZRZNUTSJZQX-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033836417 749959486 /nfs/dbraw/zinc/95/94/86/749959486.db2.gz BNQZRZNUTSJZQX-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033836417 749959492 /nfs/dbraw/zinc/95/94/92/749959492.db2.gz BNQZRZNUTSJZQX-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033836074 749959889 /nfs/dbraw/zinc/95/98/89/749959889.db2.gz LDAZTSDDJHDELO-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546957 750117082 /nfs/dbraw/zinc/11/70/82/750117082.db2.gz UWPJNFJIMAHLTP-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546957 750117087 /nfs/dbraw/zinc/11/70/87/750117087.db2.gz UWPJNFJIMAHLTP-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546957 750117091 /nfs/dbraw/zinc/11/70/91/750117091.db2.gz UWPJNFJIMAHLTP-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033932262 750143658 /nfs/dbraw/zinc/14/36/58/750143658.db2.gz JZQGACSLEZZNRN-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932262 750143662 /nfs/dbraw/zinc/14/36/62/750143662.db2.gz JZQGACSLEZZNRN-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932262 750143668 /nfs/dbraw/zinc/14/36/68/750143668.db2.gz JZQGACSLEZZNRN-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932262 750143674 /nfs/dbraw/zinc/14/36/74/750143674.db2.gz JZQGACSLEZZNRN-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932262 750143679 /nfs/dbraw/zinc/14/36/79/750143679.db2.gz JZQGACSLEZZNRN-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932915 750155184 /nfs/dbraw/zinc/15/51/84/750155184.db2.gz UMJDLNPFRYODJH-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107615984 750247637 /nfs/dbraw/zinc/24/76/37/750247637.db2.gz NJQBNFHAJHATBB-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615984 750247639 /nfs/dbraw/zinc/24/76/39/750247639.db2.gz NJQBNFHAJHATBB-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615984 750247643 /nfs/dbraw/zinc/24/76/43/750247643.db2.gz NJQBNFHAJHATBB-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001039447888 762039967 /nfs/dbraw/zinc/03/99/67/762039967.db2.gz OBKDPBVFQDREPS-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001039447888 762039976 /nfs/dbraw/zinc/03/99/76/762039976.db2.gz OBKDPBVFQDREPS-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447888 762039986 /nfs/dbraw/zinc/03/99/86/762039986.db2.gz OBKDPBVFQDREPS-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001039447888 762039996 /nfs/dbraw/zinc/03/99/96/762039996.db2.gz OBKDPBVFQDREPS-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039448180 762040589 /nfs/dbraw/zinc/04/05/89/762040589.db2.gz ZOCCIAVXPRMVJP-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000997147681 750565040 /nfs/dbraw/zinc/56/50/40/750565040.db2.gz RMVAGJRYHOYOJQ-FVQBIDKESA-N 2 1 314.433 1.753 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(C)C)CC1 ZINC001034663579 750635541 /nfs/dbraw/zinc/63/55/41/750635541.db2.gz DVDBAWNYHJNOQH-ULQDDVLXSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(C)C)CC1 ZINC001034663579 750635545 /nfs/dbraw/zinc/63/55/45/750635545.db2.gz DVDBAWNYHJNOQH-ULQDDVLXSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470462 762059984 /nfs/dbraw/zinc/05/99/84/762059984.db2.gz COGMQIHLGAUSFW-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470462 762059993 /nfs/dbraw/zinc/05/99/93/762059993.db2.gz COGMQIHLGAUSFW-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001034751359 750808021 /nfs/dbraw/zinc/80/80/21/750808021.db2.gz UPDFVUDNISJIOT-SHTZXODSSA-N 2 1 302.422 1.657 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC000997623415 751164380 /nfs/dbraw/zinc/16/43/80/751164380.db2.gz AUYHQDVOEKFJOE-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC000997623415 751164384 /nfs/dbraw/zinc/16/43/84/751164384.db2.gz AUYHQDVOEKFJOE-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC000997624953 751164740 /nfs/dbraw/zinc/16/47/40/751164740.db2.gz AOZIKLDQQDBORF-NWANDNLSSA-N 2 1 300.406 1.363 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035196130 751278767 /nfs/dbraw/zinc/27/87/67/751278767.db2.gz USLSXDMWPVLKBS-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196130 751278768 /nfs/dbraw/zinc/27/87/68/751278768.db2.gz USLSXDMWPVLKBS-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H]1CCC[NH+]1C)CC2 ZINC001035196130 751278769 /nfs/dbraw/zinc/27/87/69/751278769.db2.gz USLSXDMWPVLKBS-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001032710904 752807821 /nfs/dbraw/zinc/80/78/21/752807821.db2.gz WNSCGDBBOMGSOC-IRXDYDNUSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008751360 752901417 /nfs/dbraw/zinc/90/14/17/752901417.db2.gz ZNOMWCVBYDIHKN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008751360 752901422 /nfs/dbraw/zinc/90/14/22/752901422.db2.gz ZNOMWCVBYDIHKN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009147296 753088073 /nfs/dbraw/zinc/08/80/73/753088073.db2.gz VDNJPAFTWUNQRE-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009147296 753088081 /nfs/dbraw/zinc/08/80/81/753088081.db2.gz VDNJPAFTWUNQRE-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023014 753568582 /nfs/dbraw/zinc/56/85/82/753568582.db2.gz QODPVHMWWKYNDS-NVXWUHKLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080681835 756045423 /nfs/dbraw/zinc/04/54/23/756045423.db2.gz JQDFJLLYNZGFRP-CZUORRHYSA-N 2 1 311.389 1.503 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001080681835 756045429 /nfs/dbraw/zinc/04/54/29/756045429.db2.gz JQDFJLLYNZGFRP-CZUORRHYSA-N 2 1 311.389 1.503 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040396248 762524649 /nfs/dbraw/zinc/52/46/49/762524649.db2.gz UFHZTBCUCPHBOZ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396248 762524652 /nfs/dbraw/zinc/52/46/52/762524652.db2.gz UFHZTBCUCPHBOZ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396248 762524657 /nfs/dbraw/zinc/52/46/57/762524657.db2.gz UFHZTBCUCPHBOZ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016669554 757252758 /nfs/dbraw/zinc/25/27/58/757252758.db2.gz JYTFUIZUEJGBJX-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016669554 757252765 /nfs/dbraw/zinc/25/27/65/757252765.db2.gz JYTFUIZUEJGBJX-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097580127 757258729 /nfs/dbraw/zinc/25/87/29/757258729.db2.gz SBLOOSSJRZRMQK-ZJPYXAASSA-N 2 1 315.461 1.606 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016931934 757486814 /nfs/dbraw/zinc/48/68/14/757486814.db2.gz YSCOZGLDMPAXLP-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338605 757499338 /nfs/dbraw/zinc/49/93/38/757499338.db2.gz YIJYOPJCJCZABJ-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338605 757499339 /nfs/dbraw/zinc/49/93/39/757499339.db2.gz YIJYOPJCJCZABJ-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338605 757499341 /nfs/dbraw/zinc/49/93/41/757499341.db2.gz YIJYOPJCJCZABJ-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084405985 757564231 /nfs/dbraw/zinc/56/42/31/757564231.db2.gz BPAUGQFCDITFAV-BZUAXINKSA-N 2 1 314.433 1.869 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084405985 757564234 /nfs/dbraw/zinc/56/42/34/757564234.db2.gz BPAUGQFCDITFAV-BZUAXINKSA-N 2 1 314.433 1.869 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001017611767 758080627 /nfs/dbraw/zinc/08/06/27/758080627.db2.gz YMVURIJBKVRMOZ-OKZBNKHCSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017611767 758080639 /nfs/dbraw/zinc/08/06/39/758080639.db2.gz YMVURIJBKVRMOZ-OKZBNKHCSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001017611767 758080651 /nfs/dbraw/zinc/08/06/51/758080651.db2.gz YMVURIJBKVRMOZ-OKZBNKHCSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018174666 758602761 /nfs/dbraw/zinc/60/27/61/758602761.db2.gz FTLZZBNKLPDSFC-VQHPVUNQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001018174666 758602768 /nfs/dbraw/zinc/60/27/68/758602768.db2.gz FTLZZBNKLPDSFC-VQHPVUNQSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001230045 762675242 /nfs/dbraw/zinc/67/52/42/762675242.db2.gz PYMOWYJSZIKEED-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)CO2 ZINC001054017279 759067294 /nfs/dbraw/zinc/06/72/94/759067294.db2.gz UYZHOXQAMLZGJO-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)CO2 ZINC001054017279 759067305 /nfs/dbraw/zinc/06/73/05/759067305.db2.gz UYZHOXQAMLZGJO-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054134197 759210282 /nfs/dbraw/zinc/21/02/82/759210282.db2.gz WFBDPBNLLWUOTD-MJGOQNOKSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190495 759275096 /nfs/dbraw/zinc/27/50/96/759275096.db2.gz KVOCHQQYEAYCCE-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227773 759317756 /nfs/dbraw/zinc/31/77/56/759317756.db2.gz KQYRMUAKWWXXBW-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227773 759317767 /nfs/dbraw/zinc/31/77/67/759317767.db2.gz KQYRMUAKWWXXBW-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227773 759317773 /nfs/dbraw/zinc/31/77/73/759317773.db2.gz KQYRMUAKWWXXBW-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085687419 760015717 /nfs/dbraw/zinc/01/57/17/760015717.db2.gz ORDRQDZUHSDUPJ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687419 760015725 /nfs/dbraw/zinc/01/57/25/760015725.db2.gz ORDRQDZUHSDUPJ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001085687419 760015736 /nfs/dbraw/zinc/01/57/36/760015736.db2.gz ORDRQDZUHSDUPJ-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038258146 760953804 /nfs/dbraw/zinc/95/38/04/760953804.db2.gz BNKPTPMETJXDJE-ZACQAIPSSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038258146 760953808 /nfs/dbraw/zinc/95/38/08/760953808.db2.gz BNKPTPMETJXDJE-ZACQAIPSSA-N 2 1 321.465 1.110 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100039988 761113107 /nfs/dbraw/zinc/11/31/07/761113107.db2.gz ZJJHZVKAYDQWBF-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100039988 761113110 /nfs/dbraw/zinc/11/31/10/761113110.db2.gz ZJJHZVKAYDQWBF-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100039988 761113115 /nfs/dbraw/zinc/11/31/15/761113115.db2.gz ZJJHZVKAYDQWBF-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086177983 761120743 /nfs/dbraw/zinc/12/07/43/761120743.db2.gz OLLMWKOOFOXCHV-OAGGEKHMSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001039042327 761682740 /nfs/dbraw/zinc/68/27/40/761682740.db2.gz PXVYJZZJVFGOJX-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039137875 761772485 /nfs/dbraw/zinc/77/24/85/761772485.db2.gz SZFMECWPMMFWPN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039137875 761772489 /nfs/dbraw/zinc/77/24/89/761772489.db2.gz SZFMECWPMMFWPN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC2)C1 ZINC001039137875 761772494 /nfs/dbraw/zinc/77/24/94/761772494.db2.gz SZFMECWPMMFWPN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC001041367163 762983091 /nfs/dbraw/zinc/98/30/91/762983091.db2.gz DJIXJKRXPZUVOR-HKUYNNGSSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC001041367163 762983095 /nfs/dbraw/zinc/98/30/95/762983095.db2.gz DJIXJKRXPZUVOR-HKUYNNGSSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC001041367163 762983098 /nfs/dbraw/zinc/98/30/98/762983098.db2.gz DJIXJKRXPZUVOR-HKUYNNGSSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC001041367163 762983103 /nfs/dbraw/zinc/98/31/03/762983103.db2.gz DJIXJKRXPZUVOR-HKUYNNGSSA-N 2 1 313.445 1.032 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041474824 763059322 /nfs/dbraw/zinc/05/93/22/763059322.db2.gz DDBDOKMTXWWJOR-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041474824 763059326 /nfs/dbraw/zinc/05/93/26/763059326.db2.gz DDBDOKMTXWWJOR-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048458 763062380 /nfs/dbraw/zinc/06/23/80/763062380.db2.gz ZAIJTZRBGNFJIC-YESZJQIVSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723169 763253266 /nfs/dbraw/zinc/25/32/66/763253266.db2.gz DGVIHVTVARMXAD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723169 763253275 /nfs/dbraw/zinc/25/32/75/763253275.db2.gz DGVIHVTVARMXAD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723169 763253284 /nfs/dbraw/zinc/25/32/84/763253284.db2.gz DGVIHVTVARMXAD-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050203196 763316242 /nfs/dbraw/zinc/31/62/42/763316242.db2.gz XNRXLYVURSUOGT-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050203196 763316247 /nfs/dbraw/zinc/31/62/47/763316247.db2.gz XNRXLYVURSUOGT-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050203196 763316256 /nfs/dbraw/zinc/31/62/56/763316256.db2.gz XNRXLYVURSUOGT-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042095607 763645334 /nfs/dbraw/zinc/64/53/34/763645334.db2.gz OGTUZHIHXCCPOL-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095607 763645341 /nfs/dbraw/zinc/64/53/41/763645341.db2.gz OGTUZHIHXCCPOL-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095607 763645347 /nfs/dbraw/zinc/64/53/47/763645347.db2.gz OGTUZHIHXCCPOL-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042114314 763667341 /nfs/dbraw/zinc/66/73/41/763667341.db2.gz JORYBXPRVWWZSK-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109417972 763676455 /nfs/dbraw/zinc/67/64/55/763676455.db2.gz SLRHJVIPBQBWBE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109417972 763676462 /nfs/dbraw/zinc/67/64/62/763676462.db2.gz SLRHJVIPBQBWBE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001109417972 763676469 /nfs/dbraw/zinc/67/64/69/763676469.db2.gz SLRHJVIPBQBWBE-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517984 763693993 /nfs/dbraw/zinc/69/39/93/763693993.db2.gz OFYMYSWQKSHTGT-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050539672 763729288 /nfs/dbraw/zinc/72/92/88/763729288.db2.gz VNAUTXXVJVOTDJ-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042189040 763756841 /nfs/dbraw/zinc/75/68/41/763756841.db2.gz ZPDMYRLVOUKJHF-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001046986401 768173046 /nfs/dbraw/zinc/17/30/46/768173046.db2.gz BTDPGSQISWLTMY-ZDUSSCGKSA-N 2 1 313.392 1.342 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001109688336 763947051 /nfs/dbraw/zinc/94/70/51/763947051.db2.gz JWHYPYBQEVYPDD-LTIDMASMSA-N 2 1 323.481 1.497 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042367305 763971191 /nfs/dbraw/zinc/97/11/91/763971191.db2.gz FOISJESNBZXDIJ-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050730169 763971414 /nfs/dbraw/zinc/97/14/14/763971414.db2.gz GAKKGSDPJXIIHY-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050760979 764016318 /nfs/dbraw/zinc/01/63/18/764016318.db2.gz CHHJLZUTRNHJCA-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050760979 764016329 /nfs/dbraw/zinc/01/63/29/764016329.db2.gz CHHJLZUTRNHJCA-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001109824607 764095145 /nfs/dbraw/zinc/09/51/45/764095145.db2.gz FNLXWGYFRDKJDA-OJLVUWQFSA-N 2 1 300.406 1.333 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001109824607 764095155 /nfs/dbraw/zinc/09/51/55/764095155.db2.gz FNLXWGYFRDKJDA-OJLVUWQFSA-N 2 1 300.406 1.333 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704731 768273561 /nfs/dbraw/zinc/27/35/61/768273561.db2.gz ZVOUEAZSQUOOSH-AEFFLSMTSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704731 768273563 /nfs/dbraw/zinc/27/35/63/768273563.db2.gz ZVOUEAZSQUOOSH-AEFFLSMTSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704731 768273566 /nfs/dbraw/zinc/27/35/66/768273566.db2.gz ZVOUEAZSQUOOSH-AEFFLSMTSA-N 2 1 321.465 1.042 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001113536459 765820798 /nfs/dbraw/zinc/82/07/98/765820798.db2.gz RENOMULRBQMHCR-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052444527 765835116 /nfs/dbraw/zinc/83/51/16/765835116.db2.gz JHXSURGCZMPIGO-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052444527 765835120 /nfs/dbraw/zinc/83/51/20/765835120.db2.gz JHXSURGCZMPIGO-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052444527 765835124 /nfs/dbraw/zinc/83/51/24/765835124.db2.gz JHXSURGCZMPIGO-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447849 765838831 /nfs/dbraw/zinc/83/88/31/765838831.db2.gz NQZMAQRBTISKAI-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447849 765838835 /nfs/dbraw/zinc/83/88/35/765838835.db2.gz NQZMAQRBTISKAI-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533447 766383639 /nfs/dbraw/zinc/38/36/39/766383639.db2.gz KNUCPLSOUFEKLT-MRXNPFEDSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533447 766383648 /nfs/dbraw/zinc/38/36/48/766383648.db2.gz KNUCPLSOUFEKLT-MRXNPFEDSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046323550 767422591 /nfs/dbraw/zinc/42/25/91/767422591.db2.gz OCDYWRCNMZLUNK-SJLPKXTDSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001046324772 767424819 /nfs/dbraw/zinc/42/48/19/767424819.db2.gz AGROJMUTEXWSSZ-QGZVFWFLSA-N 2 1 319.453 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369453 767479165 /nfs/dbraw/zinc/47/91/65/767479165.db2.gz VJHMIBBEOXSUOU-AEFFLSMTSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369453 767479171 /nfs/dbraw/zinc/47/91/71/767479171.db2.gz VJHMIBBEOXSUOU-AEFFLSMTSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369453 767479176 /nfs/dbraw/zinc/47/91/76/767479176.db2.gz VJHMIBBEOXSUOU-AEFFLSMTSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+]2CCCC2)C1 ZINC001130445754 767528185 /nfs/dbraw/zinc/52/81/85/767528185.db2.gz BUVDCBAGBZZMOF-AWEZNQCLSA-N 2 1 317.437 1.097 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096103525 767654712 /nfs/dbraw/zinc/65/47/12/767654712.db2.gz RAVKHZMVQQGBFS-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096103525 767654719 /nfs/dbraw/zinc/65/47/19/767654719.db2.gz RAVKHZMVQQGBFS-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096103525 767654722 /nfs/dbraw/zinc/65/47/22/767654722.db2.gz RAVKHZMVQQGBFS-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096103525 767654726 /nfs/dbraw/zinc/65/47/26/767654726.db2.gz RAVKHZMVQQGBFS-LTIDMASMSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707778 767826265 /nfs/dbraw/zinc/82/62/65/767826265.db2.gz WNGCFZRSXZOWHS-LJQANCHMSA-N 2 1 313.445 1.966 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107499 768632105 /nfs/dbraw/zinc/63/21/05/768632105.db2.gz ZNOFIPWOALYJCA-CVEARBPZSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107499 768632107 /nfs/dbraw/zinc/63/21/07/768632107.db2.gz ZNOFIPWOALYJCA-CVEARBPZSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132107499 768632109 /nfs/dbraw/zinc/63/21/09/768632109.db2.gz ZNOFIPWOALYJCA-CVEARBPZSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132107499 768632110 /nfs/dbraw/zinc/63/21/10/768632110.db2.gz ZNOFIPWOALYJCA-CVEARBPZSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132437119 768860777 /nfs/dbraw/zinc/86/07/77/768860777.db2.gz QGXKKSMXUQPSSW-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132437119 768860788 /nfs/dbraw/zinc/86/07/88/768860788.db2.gz QGXKKSMXUQPSSW-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132437119 768860804 /nfs/dbraw/zinc/86/08/04/768860804.db2.gz QGXKKSMXUQPSSW-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132437119 768860816 /nfs/dbraw/zinc/86/08/16/768860816.db2.gz QGXKKSMXUQPSSW-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241741 769182923 /nfs/dbraw/zinc/18/29/23/769182923.db2.gz ZUGXEEQFCZZWJD-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048538303 769507614 /nfs/dbraw/zinc/50/76/14/769507614.db2.gz PQERJCGTADSUOC-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538303 769507619 /nfs/dbraw/zinc/50/76/19/769507619.db2.gz PQERJCGTADSUOC-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048538303 769507627 /nfs/dbraw/zinc/50/76/27/769507627.db2.gz PQERJCGTADSUOC-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001133165383 769555793 /nfs/dbraw/zinc/55/57/93/769555793.db2.gz GCJMXXMELMYPIV-DOTOQJQBSA-N 2 1 316.449 1.679 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864306 770011181 /nfs/dbraw/zinc/01/11/81/770011181.db2.gz WRDGYKZWBKTHEK-OWCLPIDISA-N 2 1 314.433 1.727 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048864306 770011194 /nfs/dbraw/zinc/01/11/94/770011194.db2.gz WRDGYKZWBKTHEK-OWCLPIDISA-N 2 1 314.433 1.727 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001133 770230995 /nfs/dbraw/zinc/23/09/95/770230995.db2.gz LATUTZNJLOTHCZ-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001133 770231000 /nfs/dbraw/zinc/23/10/00/770231000.db2.gz LATUTZNJLOTHCZ-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001133 770231011 /nfs/dbraw/zinc/23/10/11/770231011.db2.gz LATUTZNJLOTHCZ-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001072095825 770536404 /nfs/dbraw/zinc/53/64/04/770536404.db2.gz OUCMGCMWUKPNBA-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049232944 770578612 /nfs/dbraw/zinc/57/86/12/770578612.db2.gz FVMFCFBSRWYXAR-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049672028 771071680 /nfs/dbraw/zinc/07/16/80/771071680.db2.gz PFNNNHJDSYUADF-WNRNVDISSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672028 771071685 /nfs/dbraw/zinc/07/16/85/771071685.db2.gz PFNNNHJDSYUADF-WNRNVDISSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672028 771071690 /nfs/dbraw/zinc/07/16/90/771071690.db2.gz PFNNNHJDSYUADF-WNRNVDISSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049716759 771109628 /nfs/dbraw/zinc/10/96/28/771109628.db2.gz BKNCNDCYWBFBEN-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049716759 771109631 /nfs/dbraw/zinc/10/96/31/771109631.db2.gz BKNCNDCYWBFBEN-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049716759 771109635 /nfs/dbraw/zinc/10/96/35/771109635.db2.gz BKNCNDCYWBFBEN-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001147788161 773245898 /nfs/dbraw/zinc/24/58/98/773245898.db2.gz XPWXSIAWOJGOOE-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147788161 773245901 /nfs/dbraw/zinc/24/59/01/773245901.db2.gz XPWXSIAWOJGOOE-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001147788161 773245904 /nfs/dbraw/zinc/24/59/04/773245904.db2.gz XPWXSIAWOJGOOE-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCCCCC)C2)C1 ZINC001148458974 773475795 /nfs/dbraw/zinc/47/57/95/773475795.db2.gz ZCNPULNXUCSWDS-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458974 773475799 /nfs/dbraw/zinc/47/57/99/773475799.db2.gz ZCNPULNXUCSWDS-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCCCCC)C2)C1 ZINC001148458974 773475801 /nfs/dbraw/zinc/47/58/01/773475801.db2.gz ZCNPULNXUCSWDS-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001148638418 773562293 /nfs/dbraw/zinc/56/22/93/773562293.db2.gz HEDIQRFCZLEWFM-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001086941879 773731942 /nfs/dbraw/zinc/73/19/42/773731942.db2.gz CJQNJCXJHNBEFC-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912261 774299113 /nfs/dbraw/zinc/29/91/13/774299113.db2.gz FJNPVZNINDFUSE-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912261 774299116 /nfs/dbraw/zinc/29/91/16/774299116.db2.gz FJNPVZNINDFUSE-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092912261 774299120 /nfs/dbraw/zinc/29/91/20/774299120.db2.gz FJNPVZNINDFUSE-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCC)C[C@H]2C)CC1 ZINC001093224359 774536268 /nfs/dbraw/zinc/53/62/68/774536268.db2.gz SIKCUQSSHLWRSE-NVXWUHKLSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001098898546 774710788 /nfs/dbraw/zinc/71/07/88/774710788.db2.gz GUHGTJPNJCTNOD-HPFXQQBRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001098898546 774710790 /nfs/dbraw/zinc/71/07/90/774710790.db2.gz GUHGTJPNJCTNOD-HPFXQQBRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898546 774710797 /nfs/dbraw/zinc/71/07/97/774710797.db2.gz GUHGTJPNJCTNOD-HPFXQQBRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001098898546 774710804 /nfs/dbraw/zinc/71/08/04/774710804.db2.gz GUHGTJPNJCTNOD-HPFXQQBRSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098944157 774732928 /nfs/dbraw/zinc/73/29/28/774732928.db2.gz BRPSVZYIWYTCMT-LPHOPBHVSA-N 2 1 322.412 1.942 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842728 774895437 /nfs/dbraw/zinc/89/54/37/774895437.db2.gz UJMZDTZLWLUQMN-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842728 774895446 /nfs/dbraw/zinc/89/54/46/774895446.db2.gz UJMZDTZLWLUQMN-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099518574 775014317 /nfs/dbraw/zinc/01/43/17/775014317.db2.gz BABVYHQBEAEAFX-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038479 775603186 /nfs/dbraw/zinc/60/31/86/775603186.db2.gz JSTFDWIIRAWQRM-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100038479 775603193 /nfs/dbraw/zinc/60/31/93/775603193.db2.gz JSTFDWIIRAWQRM-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001100420497 776129344 /nfs/dbraw/zinc/12/93/44/776129344.db2.gz KKWIJRAOYAJPQZ-JCYILVPMSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102487224 778166375 /nfs/dbraw/zinc/16/63/75/778166375.db2.gz RBLKCYCUIMBBAV-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176686170 778212319 /nfs/dbraw/zinc/21/23/19/778212319.db2.gz RQKANDPEYJTJSR-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176686170 778212324 /nfs/dbraw/zinc/21/23/24/778212324.db2.gz RQKANDPEYJTJSR-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580875 778222008 /nfs/dbraw/zinc/22/20/08/778222008.db2.gz OVLQMWXBPDPDNC-IXDOHACOSA-N 2 1 323.481 1.215 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001177157408 778466850 /nfs/dbraw/zinc/46/68/50/778466850.db2.gz RXIXUSLFPKUOPR-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001177157408 778466853 /nfs/dbraw/zinc/46/68/53/778466853.db2.gz RXIXUSLFPKUOPR-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157408 778466855 /nfs/dbraw/zinc/46/68/55/778466855.db2.gz RXIXUSLFPKUOPR-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157408 778466857 /nfs/dbraw/zinc/46/68/57/778466857.db2.gz RXIXUSLFPKUOPR-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001103086792 778629691 /nfs/dbraw/zinc/62/96/91/778629691.db2.gz QYMHDEZOWCHJAV-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086792 778629709 /nfs/dbraw/zinc/62/97/09/778629709.db2.gz QYMHDEZOWCHJAV-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001103086792 778629712 /nfs/dbraw/zinc/62/97/12/778629712.db2.gz QYMHDEZOWCHJAV-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178535408 779082871 /nfs/dbraw/zinc/08/28/71/779082871.db2.gz IXQSRCVAHIXRNC-SJORKVTESA-N 2 1 323.481 1.692 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179586564 779419642 /nfs/dbraw/zinc/41/96/42/779419642.db2.gz QHSAOGSWTRJXCK-IRXDYDNUSA-N 2 1 323.481 1.100 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039666 779833545 /nfs/dbraw/zinc/83/35/45/779833545.db2.gz YTDRXROKPQZGHN-VQFNDLOPSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115305672 780023350 /nfs/dbraw/zinc/02/33/50/780023350.db2.gz AYKLCDOSAMVYSC-HZMVEIRTSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267179056 837477835 /nfs/dbraw/zinc/47/78/35/837477835.db2.gz JYKDKFROJOCJNT-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267179056 837477843 /nfs/dbraw/zinc/47/78/43/837477843.db2.gz JYKDKFROJOCJNT-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267179056 837477847 /nfs/dbraw/zinc/47/78/47/837477847.db2.gz JYKDKFROJOCJNT-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250505 837670493 /nfs/dbraw/zinc/67/04/93/837670493.db2.gz OMDBVNOPLODJPS-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267250505 837670499 /nfs/dbraw/zinc/67/04/99/837670499.db2.gz OMDBVNOPLODJPS-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001266361391 836171662 /nfs/dbraw/zinc/17/16/62/836171662.db2.gz MEIBBZCRUHPSKD-XFHJGTJQSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001266459135 836288929 /nfs/dbraw/zinc/28/89/29/836288929.db2.gz KLTMEUUYXXYHAF-RRFJBIMHSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001266459135 836288934 /nfs/dbraw/zinc/28/89/34/836288934.db2.gz KLTMEUUYXXYHAF-RRFJBIMHSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266539827 836438069 /nfs/dbraw/zinc/43/80/69/836438069.db2.gz JKEXHYJCBLCLQL-KRWDZBQOSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001266716147 836716452 /nfs/dbraw/zinc/71/64/52/836716452.db2.gz DHSCNGUUENZWPP-VVLHAWIVSA-N 2 1 321.465 1.443 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266895985 837017457 /nfs/dbraw/zinc/01/74/57/837017457.db2.gz VTNXDJIHDGOEBQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266895985 837017468 /nfs/dbraw/zinc/01/74/68/837017468.db2.gz VTNXDJIHDGOEBQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001271996707 844281255 /nfs/dbraw/zinc/28/12/55/844281255.db2.gz PSTQVPHWADLGJV-QGZVFWFLSA-N 2 1 320.437 1.101 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001271996707 844281263 /nfs/dbraw/zinc/28/12/63/844281263.db2.gz PSTQVPHWADLGJV-QGZVFWFLSA-N 2 1 320.437 1.101 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CC=C)C2)CC1 ZINC001267572054 838332778 /nfs/dbraw/zinc/33/27/78/838332778.db2.gz WEZVMBWDFZHDFT-MRXNPFEDSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CCCC)C1 ZINC001267657586 838595830 /nfs/dbraw/zinc/59/58/30/838595830.db2.gz AFQVCUGQCFZHFW-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CCCC)C1 ZINC001267657586 838595833 /nfs/dbraw/zinc/59/58/33/838595833.db2.gz AFQVCUGQCFZHFW-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC)C1 ZINC001267657586 838595840 /nfs/dbraw/zinc/59/58/40/838595840.db2.gz AFQVCUGQCFZHFW-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC)C1 ZINC001267657586 838595847 /nfs/dbraw/zinc/59/58/47/838595847.db2.gz AFQVCUGQCFZHFW-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267688414 838644585 /nfs/dbraw/zinc/64/45/85/838644585.db2.gz JYSHRMYXGKTXKL-CYBMUJFWSA-N 2 1 320.437 1.753 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267823879 839034743 /nfs/dbraw/zinc/03/47/43/839034743.db2.gz RCAVHCCSLULNLR-HNNXBMFYSA-N 2 1 311.389 1.389 20 30 DDEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001267923937 839199324 /nfs/dbraw/zinc/19/93/24/839199324.db2.gz CEXIVNFNNCEKEC-HDJSIYSDSA-N 2 1 318.421 1.390 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268029675 839445978 /nfs/dbraw/zinc/44/59/78/839445978.db2.gz XKHJOEXZCQBMLG-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268029675 839445982 /nfs/dbraw/zinc/44/59/82/839445982.db2.gz XKHJOEXZCQBMLG-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001028714358 841602588 /nfs/dbraw/zinc/60/25/88/841602588.db2.gz UFBZBNIKBOUROQ-SJORKVTESA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001270192810 842371741 /nfs/dbraw/zinc/37/17/41/842371741.db2.gz DBPRWQIEQGZVJR-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C(C)C)CC1 ZINC001270358469 842513539 /nfs/dbraw/zinc/51/35/39/842513539.db2.gz IKTFCVQWPSBLMX-MRXNPFEDSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001271292504 843470183 /nfs/dbraw/zinc/47/01/83/843470183.db2.gz BTGLAVUIMJSWER-JKSUJKDBSA-N 2 1 316.449 1.508 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)CC1 ZINC001272887546 847594903 /nfs/dbraw/zinc/59/49/03/847594903.db2.gz GOGFBDQSWVRNKJ-SFHVURJKSA-N 2 1 318.465 1.699 20 30 DDEDMP N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC001273030181 847812024 /nfs/dbraw/zinc/81/20/24/847812024.db2.gz MEVNUQBZQUYIEG-SFHVURJKSA-N 2 1 318.465 1.747 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001034291345 848268743 /nfs/dbraw/zinc/26/87/43/848268743.db2.gz VCNOOPMLQIJEBW-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145960 848577685 /nfs/dbraw/zinc/57/76/85/848577685.db2.gz ZTTQJCMPOAWNHD-FUHWJXTLSA-N 2 1 318.465 1.556 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145960 848577691 /nfs/dbraw/zinc/57/76/91/848577691.db2.gz ZTTQJCMPOAWNHD-FUHWJXTLSA-N 2 1 318.465 1.556 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145960 848577698 /nfs/dbraw/zinc/57/76/98/848577698.db2.gz ZTTQJCMPOAWNHD-FUHWJXTLSA-N 2 1 318.465 1.556 20 30 DDEDMP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001327189270 861955749 /nfs/dbraw/zinc/95/57/49/861955749.db2.gz QFYQQEIQDTXVLA-JKSUJKDBSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001327189270 861955763 /nfs/dbraw/zinc/95/57/63/861955763.db2.gz QFYQQEIQDTXVLA-JKSUJKDBSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001327189270 861955769 /nfs/dbraw/zinc/95/57/69/861955769.db2.gz QFYQQEIQDTXVLA-JKSUJKDBSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001327189270 861955780 /nfs/dbraw/zinc/95/57/80/861955780.db2.gz QFYQQEIQDTXVLA-JKSUJKDBSA-N 2 1 311.470 1.452 20 30 DDEDMP C#CCN1CC2(CCC1=O)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001273828120 851391084 /nfs/dbraw/zinc/39/10/84/851391084.db2.gz ZFBQMAMOIXGZTI-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001273840762 851409034 /nfs/dbraw/zinc/40/90/34/851409034.db2.gz NERULSSTNVOMMH-AEFFLSMTSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001327539485 862253393 /nfs/dbraw/zinc/25/33/93/862253393.db2.gz AQJLKDAFOCXWMT-SFHVURJKSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327539485 862253409 /nfs/dbraw/zinc/25/34/09/862253409.db2.gz AQJLKDAFOCXWMT-SFHVURJKSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327539485 862253430 /nfs/dbraw/zinc/25/34/30/862253430.db2.gz AQJLKDAFOCXWMT-SFHVURJKSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001274960635 852711545 /nfs/dbraw/zinc/71/15/45/852711545.db2.gz RPDLYTJGODDARF-QGZVFWFLSA-N 2 1 307.482 1.910 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150795898 862472346 /nfs/dbraw/zinc/47/23/46/862472346.db2.gz RFEFZLJMSXNQHX-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001276207710 854969211 /nfs/dbraw/zinc/96/92/11/854969211.db2.gz FGIUMZBOPLEMCU-MRXNPFEDSA-N 2 1 305.466 1.903 20 30 DDEDMP C=C(C)CC[NH+]1CC(N2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001328127963 862711300 /nfs/dbraw/zinc/71/13/00/862711300.db2.gz MDNISYSVUWJVCW-UHFFFAOYSA-N 2 1 322.497 1.123 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549924 856963178 /nfs/dbraw/zinc/96/31/78/856963178.db2.gz UFJUQDBSOKTFEJ-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549924 856963181 /nfs/dbraw/zinc/96/31/81/856963181.db2.gz UFJUQDBSOKTFEJ-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549924 856963183 /nfs/dbraw/zinc/96/31/83/856963183.db2.gz UFJUQDBSOKTFEJ-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549924 856963186 /nfs/dbraw/zinc/96/31/86/856963186.db2.gz UFJUQDBSOKTFEJ-LTIDMASMSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(CN(C)C)on1 ZINC001049564404 856981166 /nfs/dbraw/zinc/98/11/66/856981166.db2.gz METZLYFOQLEUKS-CVEARBPZSA-N 2 1 316.405 1.048 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049567569 856987781 /nfs/dbraw/zinc/98/77/81/856987781.db2.gz MQUVCTTWXHFYPP-IRXDYDNUSA-N 2 1 315.461 1.703 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907404 857871436 /nfs/dbraw/zinc/87/14/36/857871436.db2.gz HYFYMJHFWVMASP-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907404 857871439 /nfs/dbraw/zinc/87/14/39/857871439.db2.gz HYFYMJHFWVMASP-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907404 857871441 /nfs/dbraw/zinc/87/14/41/857871441.db2.gz HYFYMJHFWVMASP-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073049912 858048187 /nfs/dbraw/zinc/04/81/87/858048187.db2.gz AWZOWENKLUGALG-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073049912 858048192 /nfs/dbraw/zinc/04/81/92/858048192.db2.gz AWZOWENKLUGALG-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073049912 858048198 /nfs/dbraw/zinc/04/81/98/858048198.db2.gz AWZOWENKLUGALG-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073461316 858357649 /nfs/dbraw/zinc/35/76/49/858357649.db2.gz CMAHLGIJFGJTLD-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073461316 858357659 /nfs/dbraw/zinc/35/76/59/858357659.db2.gz CMAHLGIJFGJTLD-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073461316 858357668 /nfs/dbraw/zinc/35/76/68/858357668.db2.gz CMAHLGIJFGJTLD-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001328787469 863224807 /nfs/dbraw/zinc/22/48/07/863224807.db2.gz WLOGGZWZSFOUIR-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001328787469 863224822 /nfs/dbraw/zinc/22/48/22/863224822.db2.gz WLOGGZWZSFOUIR-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001328787469 863224831 /nfs/dbraw/zinc/22/48/31/863224831.db2.gz WLOGGZWZSFOUIR-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001329736080 863820446 /nfs/dbraw/zinc/82/04/46/863820446.db2.gz SIOXXUXLQICIMB-HOTGVXAUSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001329736080 863820453 /nfs/dbraw/zinc/82/04/53/863820453.db2.gz SIOXXUXLQICIMB-HOTGVXAUSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001154083283 864397458 /nfs/dbraw/zinc/39/74/58/864397458.db2.gz PIMCNNNNGCBOGB-OAHLLOKOSA-N 2 1 304.438 1.921 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001331649005 865212302 /nfs/dbraw/zinc/21/23/02/865212302.db2.gz RSKOYPFLFIPRCL-RDJZCZTQSA-N 2 1 301.434 1.749 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cccc(N2CC[NH+](C)CC2)n1 ZINC001160953412 866210351 /nfs/dbraw/zinc/21/03/51/866210351.db2.gz AHOSFGHKPOUUMY-INIZCTEOSA-N 2 1 315.465 1.896 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001323061783 866307092 /nfs/dbraw/zinc/30/70/92/866307092.db2.gz DPPOJOSIHPWPLD-QAPCUYQASA-N 2 1 323.456 1.707 20 30 DDEDMP CC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1[NH2+]CC#CCOC ZINC001323171094 866399358 /nfs/dbraw/zinc/39/93/58/866399358.db2.gz TVIASIFOWPYSMM-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872181 867889719 /nfs/dbraw/zinc/88/97/19/867889719.db2.gz JOTGHCHTWATDLQ-UERKLNTKSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001325421048 868017014 /nfs/dbraw/zinc/01/70/14/868017014.db2.gz YZXZWXVPZPNUBY-CHWSQXEVSA-N 2 1 306.410 1.362 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001164509234 869244016 /nfs/dbraw/zinc/24/40/16/869244016.db2.gz YCGJWXCRCBDQED-INIZCTEOSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC=C)CC1 ZINC001165546012 869636159 /nfs/dbraw/zinc/63/61/59/869636159.db2.gz VVGIOBKUYZKIRJ-INIZCTEOSA-N 2 1 303.450 1.536 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC=C)CC1 ZINC001165546012 869636164 /nfs/dbraw/zinc/63/61/64/869636164.db2.gz VVGIOBKUYZKIRJ-INIZCTEOSA-N 2 1 303.450 1.536 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165727492 869692179 /nfs/dbraw/zinc/69/21/79/869692179.db2.gz BIBXZPWHLFHUJT-HZPDHXFCSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165727492 869692180 /nfs/dbraw/zinc/69/21/80/869692180.db2.gz BIBXZPWHLFHUJT-HZPDHXFCSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165735771 869695048 /nfs/dbraw/zinc/69/50/48/869695048.db2.gz FHHPEOKBMSGLFX-DLBZAZTESA-N 2 1 317.477 1.903 20 30 DDEDMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001317391006 870757222 /nfs/dbraw/zinc/75/72/22/870757222.db2.gz ZOTICDJNWGHFCT-AEFFLSMTSA-N 2 1 313.445 1.617 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC001340792459 871353746 /nfs/dbraw/zinc/35/37/46/871353746.db2.gz QPTHYULGVWOBNF-HNNXBMFYSA-N 2 1 319.474 1.860 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317840812 871575283 /nfs/dbraw/zinc/57/52/83/871575283.db2.gz VKORKQJXBABYIT-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317840812 871575302 /nfs/dbraw/zinc/57/53/02/871575302.db2.gz VKORKQJXBABYIT-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317840812 871575323 /nfs/dbraw/zinc/57/53/23/871575323.db2.gz VKORKQJXBABYIT-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCCCC)C2)CC1 ZINC001318089242 871738298 /nfs/dbraw/zinc/73/82/98/871738298.db2.gz MQAXDGAPPJICDO-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC#CCOC ZINC001316882738 872199349 /nfs/dbraw/zinc/19/93/49/872199349.db2.gz UUEZYWFDGHNAFS-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226721987 882609931 /nfs/dbraw/zinc/60/99/31/882609931.db2.gz BTDJJMHFNSGSFS-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226721987 882609939 /nfs/dbraw/zinc/60/99/39/882609939.db2.gz BTDJJMHFNSGSFS-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001319317403 872564426 /nfs/dbraw/zinc/56/44/26/872564426.db2.gz IMHDATNHCVMTEQ-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001206939939 872811346 /nfs/dbraw/zinc/81/13/46/872811346.db2.gz AJXSPDJTSBTKPK-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206939939 872811352 /nfs/dbraw/zinc/81/13/52/872811352.db2.gz AJXSPDJTSBTKPK-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001207583292 873404704 /nfs/dbraw/zinc/40/47/04/873404704.db2.gz OTUAFLQLCHUIEN-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208362154 874062436 /nfs/dbraw/zinc/06/24/36/874062436.db2.gz LGIRXUSMPDCTMA-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP N#Cc1ccc(-c2csc(NC(=O)C[NH2+]CCC[NH3+])n2)s1 ZINC001218787381 877724750 /nfs/dbraw/zinc/72/47/50/877724750.db2.gz CWLZNWUUUOSDGS-UHFFFAOYSA-N 2 1 321.431 1.620 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374271306 912390324 /nfs/dbraw/zinc/39/03/24/912390324.db2.gz MBUYKUVEERETNP-SWLSCSKDSA-N 2 1 320.462 1.650 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001220868601 879333518 /nfs/dbraw/zinc/33/35/18/879333518.db2.gz LSOUFXMIXUWYBV-HOCLYGCPSA-N 2 1 303.406 1.029 20 30 DDEDMP C#CC[C@]1(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)CCC[NH2+]1 ZINC001220917191 879379624 /nfs/dbraw/zinc/37/96/24/879379624.db2.gz QPGGZJLLMLEGMI-PKOBYXMFSA-N 2 1 317.477 1.903 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095660 879493080 /nfs/dbraw/zinc/49/30/80/879493080.db2.gz HHNKUISDPNZOJI-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221968914 880172831 /nfs/dbraw/zinc/17/28/31/880172831.db2.gz HDGYTKSFKYHAPM-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968914 880172841 /nfs/dbraw/zinc/17/28/41/880172841.db2.gz HDGYTKSFKYHAPM-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968914 880172847 /nfs/dbraw/zinc/17/28/47/880172847.db2.gz HDGYTKSFKYHAPM-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP N#CC1(NC(=O)[C@]23C[C@H]2CC[N@H+]3CC2CC[NH2+]CC2)CCC1 ZINC001277821428 887511613 /nfs/dbraw/zinc/51/16/13/887511613.db2.gz IBPYBYMGIFDGAB-PBHICJAKSA-N 2 1 302.422 1.013 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234345455 887890445 /nfs/dbraw/zinc/89/04/45/887890445.db2.gz JEBOSNOEGGEJSI-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234345455 887890448 /nfs/dbraw/zinc/89/04/48/887890448.db2.gz JEBOSNOEGGEJSI-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277937231 888552979 /nfs/dbraw/zinc/55/29/79/888552979.db2.gz BOQJWDUJPUKXHT-YOEHRIQHSA-N 2 1 311.445 1.659 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001235596229 888789716 /nfs/dbraw/zinc/78/97/16/888789716.db2.gz GTUNWOKFHNJBLE-AEFFLSMTSA-N 2 1 319.424 1.739 20 30 DDEDMP N#Cc1cccc(N2C[C@]3(CC[N@H+](CCCC[NH3+])C3)CC2=O)c1 ZINC001235631340 888820472 /nfs/dbraw/zinc/82/04/72/888820472.db2.gz BKTRCSUENQCWMX-GOSISDBHSA-N 2 1 312.417 1.726 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1ccncc1 ZINC001246305756 892529227 /nfs/dbraw/zinc/52/92/27/892529227.db2.gz IYIAIYREQZXWDE-HOCLYGCPSA-N 2 1 305.422 1.829 20 30 DDEDMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCN[C@H](C#N)C1 ZINC001246500053 892661632 /nfs/dbraw/zinc/66/16/32/892661632.db2.gz NWAXXJKILFBARA-IHRRRGAJSA-N 2 1 310.442 1.059 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC001246529655 892678515 /nfs/dbraw/zinc/67/85/15/892678515.db2.gz UAVNOXZITSEAMN-UHFFFAOYSA-N 2 1 312.417 1.458 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCC[NH2+]CC3)CC2)cc1 ZINC001246529655 892678519 /nfs/dbraw/zinc/67/85/19/892678519.db2.gz UAVNOXZITSEAMN-UHFFFAOYSA-N 2 1 312.417 1.458 20 30 DDEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC001246530696 892681250 /nfs/dbraw/zinc/68/12/50/892681250.db2.gz AIAZEMQNEWPQLW-LSDHHAIUSA-N 2 1 307.438 1.847 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366345806 893248297 /nfs/dbraw/zinc/24/82/97/893248297.db2.gz MCRCZZSSSUYSRA-NWDGAFQWSA-N 2 1 318.259 1.331 20 30 DDEDMP C#CCOC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251835976 894836073 /nfs/dbraw/zinc/83/60/73/894836073.db2.gz SAYXFSPYVXGOAW-OWCLPIDISA-N 2 1 320.458 1.122 20 30 DDEDMP C#CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001251835976 894836088 /nfs/dbraw/zinc/83/60/88/894836088.db2.gz SAYXFSPYVXGOAW-OWCLPIDISA-N 2 1 320.458 1.122 20 30 DDEDMP C#CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001251835976 894836103 /nfs/dbraw/zinc/83/61/03/894836103.db2.gz SAYXFSPYVXGOAW-OWCLPIDISA-N 2 1 320.458 1.122 20 30 DDEDMP C#CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001251835976 894836113 /nfs/dbraw/zinc/83/61/13/894836113.db2.gz SAYXFSPYVXGOAW-OWCLPIDISA-N 2 1 320.458 1.122 20 30 DDEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278662469 895105465 /nfs/dbraw/zinc/10/54/65/895105465.db2.gz CEHNUZDTJCMLEJ-FUHWJXTLSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001367387670 896633082 /nfs/dbraw/zinc/63/30/82/896633082.db2.gz RYLNUDNBWCOYNU-GXTWGEPZSA-N 2 1 324.856 1.943 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001265704143 902317995 /nfs/dbraw/zinc/31/79/95/902317995.db2.gz ZHRGSNZTLSBXRW-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001265704143 902318012 /nfs/dbraw/zinc/31/80/12/902318012.db2.gz ZHRGSNZTLSBXRW-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265704143 902318029 /nfs/dbraw/zinc/31/80/29/902318029.db2.gz ZHRGSNZTLSBXRW-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001265927249 902610340 /nfs/dbraw/zinc/61/03/40/902610340.db2.gz FWOXYPKTSCIYOZ-MSOLQXFVSA-N 2 1 315.461 1.956 20 30 DDEDMP C=CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001265927249 902610342 /nfs/dbraw/zinc/61/03/42/902610342.db2.gz FWOXYPKTSCIYOZ-MSOLQXFVSA-N 2 1 315.461 1.956 20 30 DDEDMP C=CC[NH+](C)CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001265927249 902610347 /nfs/dbraw/zinc/61/03/47/902610347.db2.gz FWOXYPKTSCIYOZ-MSOLQXFVSA-N 2 1 315.461 1.956 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC1CCC1 ZINC001266051552 902845545 /nfs/dbraw/zinc/84/55/45/902845545.db2.gz TVHMSKNCXBYSQH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)CC1CCC1 ZINC001266051552 902845559 /nfs/dbraw/zinc/84/55/59/902845559.db2.gz TVHMSKNCXBYSQH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC1CCC1 ZINC001266051552 902845577 /nfs/dbraw/zinc/84/55/77/902845577.db2.gz TVHMSKNCXBYSQH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC1CCC1 ZINC001266051552 902845591 /nfs/dbraw/zinc/84/55/91/902845591.db2.gz TVHMSKNCXBYSQH-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001279519532 903298240 /nfs/dbraw/zinc/29/82/40/903298240.db2.gz GQUXNFURNJHWDD-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001279519532 903298255 /nfs/dbraw/zinc/29/82/55/903298255.db2.gz GQUXNFURNJHWDD-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001279519532 903298273 /nfs/dbraw/zinc/29/82/73/903298273.db2.gz GQUXNFURNJHWDD-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001279519532 903298289 /nfs/dbraw/zinc/29/82/89/903298289.db2.gz GQUXNFURNJHWDD-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCCC1 ZINC001279587891 903340691 /nfs/dbraw/zinc/34/06/91/903340691.db2.gz OQVSNUOWVWUOGF-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001281900702 905299333 /nfs/dbraw/zinc/29/93/33/905299333.db2.gz ABXGFCRDYJDRNA-KZNAEPCWSA-N 2 1 311.429 1.476 20 30 DDEDMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001282193584 905607682 /nfs/dbraw/zinc/60/76/82/905607682.db2.gz REFWEWJNDAAPKI-DLBZAZTESA-N 2 1 315.461 1.667 20 30 DDEDMP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001282466485 905806517 /nfs/dbraw/zinc/80/65/17/905806517.db2.gz CREFREDFGAGXJC-OAHLLOKOSA-N 2 1 320.437 1.058 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001282466485 905806535 /nfs/dbraw/zinc/80/65/35/905806535.db2.gz CREFREDFGAGXJC-OAHLLOKOSA-N 2 1 320.437 1.058 20 30 DDEDMP C=CCC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001282580227 905877575 /nfs/dbraw/zinc/87/75/75/905877575.db2.gz MVCFUDKTNDEFRT-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1 ZINC001282992755 906419343 /nfs/dbraw/zinc/41/93/43/906419343.db2.gz OANSSJWMHUAYEI-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001282992755 906419349 /nfs/dbraw/zinc/41/93/49/906419349.db2.gz OANSSJWMHUAYEI-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001282992755 906419358 /nfs/dbraw/zinc/41/93/58/906419358.db2.gz OANSSJWMHUAYEI-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001283102261 906631291 /nfs/dbraw/zinc/63/12/91/906631291.db2.gz INNRMRPQFAQJAU-JYJNAYRXSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001283102261 906631298 /nfs/dbraw/zinc/63/12/98/906631298.db2.gz INNRMRPQFAQJAU-JYJNAYRXSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001284227131 908689470 /nfs/dbraw/zinc/68/94/70/908689470.db2.gz QDRDVXBKGBJYFT-JKSUJKDBSA-N 2 1 309.454 1.159 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)CCC)CC2)CC1 ZINC001284846247 909564222 /nfs/dbraw/zinc/56/42/22/909564222.db2.gz LFVRNXZMCIFPTI-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(C#N)c1 ZINC000181270685 199273713 /nfs/dbraw/zinc/27/37/13/199273713.db2.gz REBRKIXJLYRKJC-INIZCTEOSA-N 2 1 317.437 1.374 20 30 DDEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424137660 529760594 /nfs/dbraw/zinc/76/05/94/529760594.db2.gz CGZFLCCMVVMLGU-KGLIPLIRSA-N 2 1 303.410 1.630 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422328 781931171 /nfs/dbraw/zinc/93/11/71/781931171.db2.gz LQSIFNBEJLLHKE-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599335805 357899090 /nfs/dbraw/zinc/89/90/90/357899090.db2.gz YBIHIVGHQPIQRU-INIZCTEOSA-N 2 1 320.437 1.585 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599335805 357899091 /nfs/dbraw/zinc/89/90/91/357899091.db2.gz YBIHIVGHQPIQRU-INIZCTEOSA-N 2 1 320.437 1.585 20 30 DDEDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729013 358298801 /nfs/dbraw/zinc/29/88/01/358298801.db2.gz CRJJKTIRYSTTAQ-DLBZAZTESA-N 2 1 323.481 1.625 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000124915611 407373075 /nfs/dbraw/zinc/37/30/75/407373075.db2.gz PGSCYEUJSVPQOI-FGTMMUONSA-N 2 1 309.498 1.804 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000172150999 407806410 /nfs/dbraw/zinc/80/64/10/407806410.db2.gz GJDOUEIGXROGNA-HNNXBMFYSA-N 2 1 308.470 1.620 20 30 DDEDMP C#CCNC(NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)=[NH+]C ZINC000262455645 407838700 /nfs/dbraw/zinc/83/87/00/407838700.db2.gz WTIJYYDKFRZOPM-ZFWWWQNUSA-N 2 1 304.463 1.929 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000245929922 408101518 /nfs/dbraw/zinc/10/15/18/408101518.db2.gz IBGVANJSTLPLJK-RDJZCZTQSA-N 2 1 320.481 1.763 20 30 DDEDMP C=CCC(C)(C)C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000292881490 409045291 /nfs/dbraw/zinc/04/52/91/409045291.db2.gz FAWPVDDXFUIZDO-UHFFFAOYSA-N 2 1 303.454 1.920 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285184766 409402528 /nfs/dbraw/zinc/40/25/28/409402528.db2.gz UZTUYFPAIWDLDZ-KCQAQPDRSA-N 2 1 306.458 1.506 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(O)CCC(C(=O)OCC)CC1 ZINC000328019330 409926380 /nfs/dbraw/zinc/92/63/80/409926380.db2.gz RZFNSWMFQIGNJW-UHFFFAOYSA-N 2 1 310.438 1.016 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(O)CCC(C(=O)OCC)CC1 ZINC000328019330 409926385 /nfs/dbraw/zinc/92/63/85/409926385.db2.gz RZFNSWMFQIGNJW-UHFFFAOYSA-N 2 1 310.438 1.016 20 30 DDEDMP CCC[C@@H](C#N)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000580447588 422934218 /nfs/dbraw/zinc/93/42/18/422934218.db2.gz LWEBDRRJWUTLEZ-INIZCTEOSA-N 2 1 320.481 1.991 20 30 DDEDMP C(#CC[N@H+]1CCC[C@@]12CCOC2)C[NH+]1CCC[C@]12CCOC2 ZINC000366948092 418542059 /nfs/dbraw/zinc/54/20/59/418542059.db2.gz VLHVTBONHKEARV-HDICACEKSA-N 2 1 304.434 1.500 20 30 DDEDMP C(#CC[N@@H+]1CCC[C@]12CCOC2)C[NH+]1CCC[C@@]12CCOC2 ZINC000366948092 418542062 /nfs/dbraw/zinc/54/20/62/418542062.db2.gz VLHVTBONHKEARV-HDICACEKSA-N 2 1 304.434 1.500 20 30 DDEDMP C(#CC[N@H+]1CCC[C@]12CCOC2)C[NH+]1CCC[C@@]12CCOC2 ZINC000366948092 418542063 /nfs/dbraw/zinc/54/20/63/418542063.db2.gz VLHVTBONHKEARV-HDICACEKSA-N 2 1 304.434 1.500 20 30 DDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367307997 418582888 /nfs/dbraw/zinc/58/28/88/418582888.db2.gz BBHGEPDSAMSESE-CABCVRRESA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249536995 222240404 /nfs/dbraw/zinc/24/04/04/222240404.db2.gz CSELCKJJVFYQDD-OALUTQOASA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@H](O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249536995 222240407 /nfs/dbraw/zinc/24/04/07/222240407.db2.gz CSELCKJJVFYQDD-OALUTQOASA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@H](O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249536995 222240410 /nfs/dbraw/zinc/24/04/10/222240410.db2.gz CSELCKJJVFYQDD-OALUTQOASA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@H](O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249536995 222240413 /nfs/dbraw/zinc/24/04/13/222240413.db2.gz CSELCKJJVFYQDD-OALUTQOASA-N 2 1 318.461 1.882 20 30 DDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CCN(c2cccs2)CC1 ZINC000261667688 222254164 /nfs/dbraw/zinc/25/41/64/222254164.db2.gz BQKJESZMOPQWDP-CQSZACIVSA-N 2 1 321.494 1.540 20 30 DDEDMP CC[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CC[C@]2(CCOC2)C1 ZINC000261933750 222262560 /nfs/dbraw/zinc/26/25/60/222262560.db2.gz BYKCFNAXRHHHCC-YOEHRIQHSA-N 2 1 308.470 1.547 20 30 DDEDMP C=CC[N@H+](CC(C)(C)[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262026704 222270485 /nfs/dbraw/zinc/27/04/85/222270485.db2.gz WRJGATWFAVOEFO-ZDUSSCGKSA-N 2 1 300.410 1.949 20 30 DDEDMP C=CC[N@@H+](CC(C)(C)[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262026704 222270488 /nfs/dbraw/zinc/27/04/88/222270488.db2.gz WRJGATWFAVOEFO-ZDUSSCGKSA-N 2 1 300.410 1.949 20 30 DDEDMP CC[NH+]=C(NC[C@]1(C)CCOC1)N1CC[NH+](CC(C)C)CC1 ZINC000262756634 222292602 /nfs/dbraw/zinc/29/26/02/222292602.db2.gz DNKPZKDLMPZQNO-KRWDZBQOSA-N 2 1 310.486 1.652 20 30 DDEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC3CC3)cc2)CC1 ZINC000264071183 222312774 /nfs/dbraw/zinc/31/27/74/222312774.db2.gz DIDJHMQGBCQZTB-UHFFFAOYSA-N 2 1 315.465 1.391 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000267463550 222387312 /nfs/dbraw/zinc/38/73/12/222387312.db2.gz VTVSBLGKGKJJMK-UHFFFAOYSA-N 2 1 319.453 1.984 20 30 DDEDMP Cn1cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1C#N ZINC000367719895 418625995 /nfs/dbraw/zinc/62/59/95/418625995.db2.gz JSKJRJWNGROREX-INIZCTEOSA-N 2 1 315.465 1.356 20 30 DDEDMP Cn1cc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1C#N ZINC000367719895 418625996 /nfs/dbraw/zinc/62/59/96/418625996.db2.gz JSKJRJWNGROREX-INIZCTEOSA-N 2 1 315.465 1.356 20 30 DDEDMP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)N(C)C ZINC000364391703 418776555 /nfs/dbraw/zinc/77/65/55/418776555.db2.gz REVJFLZMDBAWBS-MRXNPFEDSA-N 2 1 303.454 1.773 20 30 DDEDMP C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC[NH+]1CCCCC1 ZINC000548072874 421397472 /nfs/dbraw/zinc/39/74/72/421397472.db2.gz ROCZLCSGLUDJJL-UHFFFAOYSA-N 2 1 304.442 1.604 20 30 DDEDMP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000536594147 421722326 /nfs/dbraw/zinc/72/23/26/421722326.db2.gz OXZLBULZIXUTGQ-INIZCTEOSA-N 2 1 323.400 1.397 20 30 DDEDMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678191 424732111 /nfs/dbraw/zinc/73/21/11/424732111.db2.gz CEFTXSLDZODEJO-IBGZPJMESA-N 2 1 313.445 1.859 20 30 DDEDMP C=CC[C@@]1(C(=O)NCC[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000662678191 424732114 /nfs/dbraw/zinc/73/21/14/424732114.db2.gz CEFTXSLDZODEJO-IBGZPJMESA-N 2 1 313.445 1.859 20 30 DDEDMP C[C@@H]1C[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000344157656 278013951 /nfs/dbraw/zinc/01/39/51/278013951.db2.gz WCPQLZYPXYKWOE-TVFCKZIOSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1C[C@@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344157656 278013952 /nfs/dbraw/zinc/01/39/52/278013952.db2.gz WCPQLZYPXYKWOE-TVFCKZIOSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1C[C@@H](CO)CC[NH+]1CC#CC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344157656 278013953 /nfs/dbraw/zinc/01/39/53/278013953.db2.gz WCPQLZYPXYKWOE-TVFCKZIOSA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414683137 526376683 /nfs/dbraw/zinc/37/66/83/526376683.db2.gz SRVWYVKGFVKOFX-AWEZNQCLSA-N 2 1 307.463 1.933 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000491666027 526817440 /nfs/dbraw/zinc/81/74/40/526817440.db2.gz JEWNSFPAPOSKEN-OAHLLOKOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000491666027 526817446 /nfs/dbraw/zinc/81/74/46/526817446.db2.gz JEWNSFPAPOSKEN-OAHLLOKOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000491666027 526817449 /nfs/dbraw/zinc/81/74/49/526817449.db2.gz JEWNSFPAPOSKEN-OAHLLOKOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000491460815 526820897 /nfs/dbraw/zinc/82/08/97/526820897.db2.gz BBTMSIOUDYCKPK-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000491460815 526820899 /nfs/dbraw/zinc/82/08/99/526820899.db2.gz BBTMSIOUDYCKPK-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000491460815 526820908 /nfs/dbraw/zinc/82/09/08/526820908.db2.gz BBTMSIOUDYCKPK-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000491805645 526821512 /nfs/dbraw/zinc/82/15/12/526821512.db2.gz OZIPWIZQTKUIJG-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491805645 526821518 /nfs/dbraw/zinc/82/15/18/526821518.db2.gz OZIPWIZQTKUIJG-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000491805645 526821521 /nfs/dbraw/zinc/82/15/21/526821521.db2.gz OZIPWIZQTKUIJG-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000491803949 526828286 /nfs/dbraw/zinc/82/82/86/526828286.db2.gz JWVPQCMZOUQKHF-AWEZNQCLSA-N 2 1 323.462 1.664 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000491803949 526828293 /nfs/dbraw/zinc/82/82/93/526828293.db2.gz JWVPQCMZOUQKHF-AWEZNQCLSA-N 2 1 323.462 1.664 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980235840 696714986 /nfs/dbraw/zinc/71/49/86/696714986.db2.gz ADFDWQQGLVUYGO-YESZJQIVSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974655794 695705098 /nfs/dbraw/zinc/70/50/98/695705098.db2.gz YPADTVYQOTVYFZ-SJORKVTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655794 695705100 /nfs/dbraw/zinc/70/51/00/695705100.db2.gz YPADTVYQOTVYFZ-SJORKVTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655794 695705102 /nfs/dbraw/zinc/70/51/02/695705102.db2.gz YPADTVYQOTVYFZ-SJORKVTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977613093 696234721 /nfs/dbraw/zinc/23/47/21/696234721.db2.gz IDXROGMKSMBGDO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977613093 696234723 /nfs/dbraw/zinc/23/47/23/696234723.db2.gz IDXROGMKSMBGDO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977613093 696234725 /nfs/dbraw/zinc/23/47/25/696234725.db2.gz IDXROGMKSMBGDO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977613093 696234727 /nfs/dbraw/zinc/23/47/27/696234727.db2.gz IDXROGMKSMBGDO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC000978284946 696358139 /nfs/dbraw/zinc/35/81/39/696358139.db2.gz UNQBYWAXAITBRV-LMTCYGDFSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC000978284946 696358142 /nfs/dbraw/zinc/35/81/42/696358142.db2.gz UNQBYWAXAITBRV-LMTCYGDFSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1[C@H]2C[NH+](C/C=C/Cl)C[C@@H]12 ZINC000978284946 696358144 /nfs/dbraw/zinc/35/81/44/696358144.db2.gz UNQBYWAXAITBRV-LMTCYGDFSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1[C@H]2C[NH+](C/C=C/Cl)C[C@@H]12 ZINC000978284946 696358147 /nfs/dbraw/zinc/35/81/47/696358147.db2.gz UNQBYWAXAITBRV-LMTCYGDFSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981765042 696907030 /nfs/dbraw/zinc/90/70/30/696907030.db2.gz NQPOIWBJRQPDMK-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981765042 696907033 /nfs/dbraw/zinc/90/70/33/696907033.db2.gz NQPOIWBJRQPDMK-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981765042 696907036 /nfs/dbraw/zinc/90/70/36/696907036.db2.gz NQPOIWBJRQPDMK-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981834464 696937253 /nfs/dbraw/zinc/93/72/53/696937253.db2.gz ZRMMMQSZINCKPP-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981834464 696937256 /nfs/dbraw/zinc/93/72/56/696937256.db2.gz ZRMMMQSZINCKPP-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981894046 696959515 /nfs/dbraw/zinc/95/95/15/696959515.db2.gz YHELEEFDOCNESD-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981894046 696959518 /nfs/dbraw/zinc/95/95/18/696959518.db2.gz YHELEEFDOCNESD-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303769833 698605694 /nfs/dbraw/zinc/60/56/94/698605694.db2.gz BEZSSFPDODYNAU-HZPDHXFCSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C(=O)N(C)C)CCCC1 ZINC000304752866 698624078 /nfs/dbraw/zinc/62/40/78/698624078.db2.gz KRQPXKFCPVOYRC-AWEZNQCLSA-N 2 1 323.485 1.024 20 30 DDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304765249 698624882 /nfs/dbraw/zinc/62/48/82/698624882.db2.gz YZJCFQRAVKEPJJ-ZFWWWQNUSA-N 2 1 302.422 1.756 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743137 698748283 /nfs/dbraw/zinc/74/82/83/698748283.db2.gz AOSNLFDXTVFDLH-GOSISDBHSA-N 2 1 313.445 1.847 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000989743137 698748286 /nfs/dbraw/zinc/74/82/86/698748286.db2.gz AOSNLFDXTVFDLH-GOSISDBHSA-N 2 1 313.445 1.847 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000764492242 700973819 /nfs/dbraw/zinc/97/38/19/700973819.db2.gz AVMRNWAHYXDLCR-GOSISDBHSA-N 2 1 315.461 1.785 20 30 DDEDMP COCC[N@@H+](CCC(=O)N(C)CCC#N)CC1CC[NH+](C)CC1 ZINC000879125815 706593442 /nfs/dbraw/zinc/59/34/42/706593442.db2.gz JBKITHONQSAQIY-UHFFFAOYSA-N 2 1 324.469 1.039 20 30 DDEDMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852863816 704152957 /nfs/dbraw/zinc/15/29/57/704152957.db2.gz RQTQVKRQXMBNFZ-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857235256 704568012 /nfs/dbraw/zinc/56/80/12/704568012.db2.gz PZXOGJFPBGZNSW-OAHLLOKOSA-N 2 1 313.405 1.966 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212893 704823250 /nfs/dbraw/zinc/82/32/50/704823250.db2.gz REUVSGHKJRPRFC-UHFFFAOYSA-N 2 1 316.449 1.942 20 30 DDEDMP C=CC[N@@H+](CCc1ccco1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878385569 706374283 /nfs/dbraw/zinc/37/42/83/706374283.db2.gz CUOYOCMMXVNSPL-UHFFFAOYSA-N 2 1 305.422 1.521 20 30 DDEDMP C=CC[N@H+](CCc1ccco1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878385569 706374290 /nfs/dbraw/zinc/37/42/90/706374290.db2.gz CUOYOCMMXVNSPL-UHFFFAOYSA-N 2 1 305.422 1.521 20 30 DDEDMP C=C[C@H](O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000829780224 706394693 /nfs/dbraw/zinc/39/46/93/706394693.db2.gz WVCBWKFGUMJJEW-KRWDZBQOSA-N 2 1 323.481 1.188 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000883131598 707936282 /nfs/dbraw/zinc/93/62/82/707936282.db2.gz JTPIPSQELMVNAP-UHFFFAOYSA-N 2 1 301.434 1.568 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000883131598 707936283 /nfs/dbraw/zinc/93/62/83/707936283.db2.gz JTPIPSQELMVNAP-UHFFFAOYSA-N 2 1 301.434 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000884075170 708127787 /nfs/dbraw/zinc/12/77/87/708127787.db2.gz OJBLBXNBZMBHHZ-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000884075170 708127789 /nfs/dbraw/zinc/12/77/89/708127789.db2.gz OJBLBXNBZMBHHZ-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000884075170 708127791 /nfs/dbraw/zinc/12/77/91/708127791.db2.gz OJBLBXNBZMBHHZ-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000884075170 708127793 /nfs/dbraw/zinc/12/77/93/708127793.db2.gz OJBLBXNBZMBHHZ-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000884177366 708173727 /nfs/dbraw/zinc/17/37/27/708173727.db2.gz HRNAKZNOAZIRFZ-XYTVBORESA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000884177366 708173730 /nfs/dbraw/zinc/17/37/30/708173730.db2.gz HRNAKZNOAZIRFZ-XYTVBORESA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000884177366 708173731 /nfs/dbraw/zinc/17/37/31/708173731.db2.gz HRNAKZNOAZIRFZ-XYTVBORESA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000884177366 708173734 /nfs/dbraw/zinc/17/37/34/708173734.db2.gz HRNAKZNOAZIRFZ-XYTVBORESA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000884177366 708173736 /nfs/dbraw/zinc/17/37/36/708173736.db2.gz HRNAKZNOAZIRFZ-XYTVBORESA-N 2 1 318.465 1.399 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900022059 709270058 /nfs/dbraw/zinc/27/00/58/709270058.db2.gz RUTMYMKYSDYVAG-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(C#N)ccn1 ZINC000902981335 710983832 /nfs/dbraw/zinc/98/38/32/710983832.db2.gz MBXQABRCZRXJEX-CQSZACIVSA-N 2 1 301.438 1.630 20 30 DDEDMP CC(C)[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912509294 711357925 /nfs/dbraw/zinc/35/79/25/711357925.db2.gz APZRRJJWLZPVQU-HNNXBMFYSA-N 2 1 311.518 1.612 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928828653 713487511 /nfs/dbraw/zinc/48/75/11/713487511.db2.gz BTDIMDRAFXSDMT-SJORKVTESA-N 2 1 314.433 1.288 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928828653 713487513 /nfs/dbraw/zinc/48/75/13/713487513.db2.gz BTDIMDRAFXSDMT-SJORKVTESA-N 2 1 314.433 1.288 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963800073 717909514 /nfs/dbraw/zinc/90/95/14/717909514.db2.gz FDJSRTRFQVDXRY-NYXDSXFPSA-N 2 1 315.461 1.511 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000923563628 714406221 /nfs/dbraw/zinc/40/62/21/714406221.db2.gz IMLYCDTYUTVYNH-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000923563628 714406222 /nfs/dbraw/zinc/40/62/22/714406222.db2.gz IMLYCDTYUTVYNH-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000923563628 714406223 /nfs/dbraw/zinc/40/62/23/714406223.db2.gz IMLYCDTYUTVYNH-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000923563628 714406224 /nfs/dbraw/zinc/40/62/24/714406224.db2.gz IMLYCDTYUTVYNH-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000923573716 714412054 /nfs/dbraw/zinc/41/20/54/714412054.db2.gz RKIHOWISFPVKGR-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000923573716 714412056 /nfs/dbraw/zinc/41/20/56/714412056.db2.gz RKIHOWISFPVKGR-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000923573716 714412059 /nfs/dbraw/zinc/41/20/59/714412059.db2.gz RKIHOWISFPVKGR-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000923573716 714412060 /nfs/dbraw/zinc/41/20/60/714412060.db2.gz RKIHOWISFPVKGR-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000923573716 714412064 /nfs/dbraw/zinc/41/20/64/714412064.db2.gz RKIHOWISFPVKGR-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000958379441 716513827 /nfs/dbraw/zinc/51/38/27/716513827.db2.gz VXJBFMOVADYHTC-XWTMOSNGSA-N 2 1 324.428 1.199 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000958379441 716513834 /nfs/dbraw/zinc/51/38/34/716513834.db2.gz VXJBFMOVADYHTC-XWTMOSNGSA-N 2 1 324.428 1.199 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC000958379441 716513836 /nfs/dbraw/zinc/51/38/36/716513836.db2.gz VXJBFMOVADYHTC-XWTMOSNGSA-N 2 1 324.428 1.199 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961263289 716887635 /nfs/dbraw/zinc/88/76/35/716887635.db2.gz SFQDVNWGSRYWTI-DLBZAZTESA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961762312 717197973 /nfs/dbraw/zinc/19/79/73/717197973.db2.gz GWKXFVDZRBNNIL-BORJPKMPSA-N 2 1 321.440 1.269 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961762312 717197977 /nfs/dbraw/zinc/19/79/77/717197977.db2.gz GWKXFVDZRBNNIL-BORJPKMPSA-N 2 1 321.440 1.269 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961762312 717197982 /nfs/dbraw/zinc/19/79/82/717197982.db2.gz GWKXFVDZRBNNIL-BORJPKMPSA-N 2 1 321.440 1.269 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961770035 717201523 /nfs/dbraw/zinc/20/15/23/717201523.db2.gz JDAMZFXZCJLKJM-QMCVQRASSA-N 2 1 314.433 1.376 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000961770035 717201525 /nfs/dbraw/zinc/20/15/25/717201525.db2.gz JDAMZFXZCJLKJM-QMCVQRASSA-N 2 1 314.433 1.376 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000964645097 717346612 /nfs/dbraw/zinc/34/66/12/717346612.db2.gz VGMDNYFTVZYLPU-KZIPQDEESA-N 2 1 317.477 1.759 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC000962553832 717509369 /nfs/dbraw/zinc/50/93/69/717509369.db2.gz MQWGXBYFBUTORN-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC000962553832 717509374 /nfs/dbraw/zinc/50/93/74/717509374.db2.gz MQWGXBYFBUTORN-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC000962553832 717509378 /nfs/dbraw/zinc/50/93/78/717509378.db2.gz MQWGXBYFBUTORN-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962769914 717581032 /nfs/dbraw/zinc/58/10/32/717581032.db2.gz FHGXLMXKVWUXEC-PIIMJCKOSA-N 2 1 311.429 1.432 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416554 717782355 /nfs/dbraw/zinc/78/23/55/717782355.db2.gz LXYSHHNBZLILEN-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967210119 718792033 /nfs/dbraw/zinc/79/20/33/718792033.db2.gz VDHOZZKSCHTGPS-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623135 718856338 /nfs/dbraw/zinc/85/63/38/718856338.db2.gz DNIHNXLIFUWQEG-IYBDPMFKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623135 718856343 /nfs/dbraw/zinc/85/63/43/718856343.db2.gz DNIHNXLIFUWQEG-IYBDPMFKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623135 718856347 /nfs/dbraw/zinc/85/63/47/718856347.db2.gz DNIHNXLIFUWQEG-IYBDPMFKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396211 718867776 /nfs/dbraw/zinc/86/77/76/718867776.db2.gz BPARMUWJQRBATF-WMLDXEAASA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947939468 719313035 /nfs/dbraw/zinc/31/30/35/719313035.db2.gz IHYLCJSAIXLKCP-UONOGXRCSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCF)[C@H](C)C2)CC1 ZINC000948069281 719348914 /nfs/dbraw/zinc/34/89/14/719348914.db2.gz FJAVTQHYTOJUEU-GDBMZVCRSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948376726 719473730 /nfs/dbraw/zinc/47/37/30/719473730.db2.gz AXGQBBZUXWLQHN-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCCF)CC1 ZINC000948449747 719505169 /nfs/dbraw/zinc/50/51/69/719505169.db2.gz WTRJCJSKCXELRQ-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCCF)CC1 ZINC000948449747 719505171 /nfs/dbraw/zinc/50/51/71/719505171.db2.gz WTRJCJSKCXELRQ-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCCF)CC1 ZINC000948449747 719505176 /nfs/dbraw/zinc/50/51/76/719505176.db2.gz WTRJCJSKCXELRQ-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCCF)CC1 ZINC000948449747 719505181 /nfs/dbraw/zinc/50/51/81/719505181.db2.gz WTRJCJSKCXELRQ-IRXDYDNUSA-N 2 1 323.456 1.757 20 30 DDEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832871 720525364 /nfs/dbraw/zinc/52/53/64/720525364.db2.gz KDRCOAPPGWJPBR-RHSMWYFYSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970752351 720922448 /nfs/dbraw/zinc/92/24/48/720922448.db2.gz SFZKVYBKPPHSAV-ZDUSSCGKSA-N 2 1 300.406 1.221 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552800 735308072 /nfs/dbraw/zinc/30/80/72/735308072.db2.gz NTSIGHUAWRWNDN-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552800 735308076 /nfs/dbraw/zinc/30/80/76/735308076.db2.gz NTSIGHUAWRWNDN-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552800 735308079 /nfs/dbraw/zinc/30/80/79/735308079.db2.gz NTSIGHUAWRWNDN-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707138 735408957 /nfs/dbraw/zinc/40/89/57/735408957.db2.gz KLEIZAWVBKNKGN-OAHLLOKOSA-N 2 1 314.433 1.613 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023763264 735449689 /nfs/dbraw/zinc/44/96/89/735449689.db2.gz HOUUUYFSCSNYOF-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023763264 735449693 /nfs/dbraw/zinc/44/96/93/735449693.db2.gz HOUUUYFSCSNYOF-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023763264 735449695 /nfs/dbraw/zinc/44/96/95/735449695.db2.gz HOUUUYFSCSNYOF-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696630 738555982 /nfs/dbraw/zinc/55/59/82/738555982.db2.gz PUVWNZMAZNCTFM-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696630 738555983 /nfs/dbraw/zinc/55/59/83/738555983.db2.gz PUVWNZMAZNCTFM-ROUUACIJSA-N 2 1 313.445 1.845 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247204 733367220 /nfs/dbraw/zinc/36/72/20/733367220.db2.gz UVWPOAQZWSFNDQ-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC)CC[C@@H]32)CC1 ZINC001021739644 733500489 /nfs/dbraw/zinc/50/04/89/733500489.db2.gz KTVPREYCGOPRMH-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001021741000 733501416 /nfs/dbraw/zinc/50/14/16/733501416.db2.gz XXZCHYNUYYBBOV-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362724 734356835 /nfs/dbraw/zinc/35/68/35/734356835.db2.gz GNFMSDWOKKOZNB-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561525 734631557 /nfs/dbraw/zinc/63/15/57/734631557.db2.gz GNOGPOCZJMDANY-UHFFFAOYSA-N 2 1 320.437 1.053 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561525 734631560 /nfs/dbraw/zinc/63/15/60/734631560.db2.gz GNOGPOCZJMDANY-UHFFFAOYSA-N 2 1 320.437 1.053 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083238431 734648969 /nfs/dbraw/zinc/64/89/69/734648969.db2.gz DSFMRIKSZUDBSP-DLBZAZTESA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC001083238431 734648971 /nfs/dbraw/zinc/64/89/71/734648971.db2.gz DSFMRIKSZUDBSP-DLBZAZTESA-N 2 1 321.465 1.204 20 30 DDEDMP CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247210 734900036 /nfs/dbraw/zinc/90/00/36/734900036.db2.gz IGWUBDJKTXEJGY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247210 734900039 /nfs/dbraw/zinc/90/00/39/734900039.db2.gz IGWUBDJKTXEJGY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247210 734900042 /nfs/dbraw/zinc/90/00/42/734900042.db2.gz IGWUBDJKTXEJGY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247210 734900047 /nfs/dbraw/zinc/90/00/47/734900047.db2.gz IGWUBDJKTXEJGY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247210 734900049 /nfs/dbraw/zinc/90/00/49/734900049.db2.gz IGWUBDJKTXEJGY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001023084642 735031616 /nfs/dbraw/zinc/03/16/16/735031616.db2.gz VPPOWCLJSMYXII-RWMBFGLXSA-N 2 1 318.446 1.308 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023452368 735245274 /nfs/dbraw/zinc/24/52/74/735245274.db2.gz YKXVQAMUSTWFCD-INIZCTEOSA-N 2 1 303.450 1.324 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024478613 735855617 /nfs/dbraw/zinc/85/56/17/735855617.db2.gz UCUCUBQWRRUKOM-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024505642 735883449 /nfs/dbraw/zinc/88/34/49/735883449.db2.gz FTWSQFPNYYZJIT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024505642 735883454 /nfs/dbraw/zinc/88/34/54/735883454.db2.gz FTWSQFPNYYZJIT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024505642 735883457 /nfs/dbraw/zinc/88/34/57/735883457.db2.gz FTWSQFPNYYZJIT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024505642 735883462 /nfs/dbraw/zinc/88/34/62/735883462.db2.gz FTWSQFPNYYZJIT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027981548 738907898 /nfs/dbraw/zinc/90/78/98/738907898.db2.gz CNVRQPODEZEGJV-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025289958 736410392 /nfs/dbraw/zinc/41/03/92/736410392.db2.gz VXJXINMRVWNKTI-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001026421894 737521240 /nfs/dbraw/zinc/52/12/40/737521240.db2.gz XWTDXVLQLOEZDO-SOUVJXGZSA-N 2 1 322.840 1.771 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001026421893 737521272 /nfs/dbraw/zinc/52/12/72/737521272.db2.gz XWTDXVLQLOEZDO-RRFJBIMHSA-N 2 1 322.840 1.771 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001026559289 737661566 /nfs/dbraw/zinc/66/15/66/737661566.db2.gz GOOLSJWADJPXHY-QQFBHYJXSA-N 2 1 316.449 1.957 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008881494 738069286 /nfs/dbraw/zinc/06/92/86/738069286.db2.gz MDMIBHCHAQVLPN-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008881494 738069290 /nfs/dbraw/zinc/06/92/90/738069290.db2.gz MDMIBHCHAQVLPN-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C=C(Cl)CN(C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493447 738347704 /nfs/dbraw/zinc/34/77/04/738347704.db2.gz GNRPJHPDDKXIKY-AWEZNQCLSA-N 2 1 310.829 1.867 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000997959506 751419112 /nfs/dbraw/zinc/41/91/12/751419112.db2.gz HAEOBTCTGXJWOC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001028333193 739366746 /nfs/dbraw/zinc/36/67/46/739366746.db2.gz FULVCLLNMTZLTI-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001035362886 751447376 /nfs/dbraw/zinc/44/73/76/751447376.db2.gz WTJVTCWZYNRHFR-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035362886 751447378 /nfs/dbraw/zinc/44/73/78/751447378.db2.gz WTJVTCWZYNRHFR-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035362886 751447381 /nfs/dbraw/zinc/44/73/81/751447381.db2.gz WTJVTCWZYNRHFR-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035362886 751447383 /nfs/dbraw/zinc/44/73/83/751447383.db2.gz WTJVTCWZYNRHFR-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028891906 740148473 /nfs/dbraw/zinc/14/84/73/740148473.db2.gz LCORMIVCIBWDSI-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028891906 740148474 /nfs/dbraw/zinc/14/84/74/740148474.db2.gz LCORMIVCIBWDSI-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001028896780 740153046 /nfs/dbraw/zinc/15/30/46/740153046.db2.gz YMZJOIJVGXBNCM-AWEZNQCLSA-N 2 1 311.389 1.505 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896780 740153050 /nfs/dbraw/zinc/15/30/50/740153050.db2.gz YMZJOIJVGXBNCM-AWEZNQCLSA-N 2 1 311.389 1.505 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896780 740153052 /nfs/dbraw/zinc/15/30/52/740153052.db2.gz YMZJOIJVGXBNCM-AWEZNQCLSA-N 2 1 311.389 1.505 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798651 740551025 /nfs/dbraw/zinc/55/10/25/740551025.db2.gz JKAZAAODOZAXEL-RCCFBDPRSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087993444 740934301 /nfs/dbraw/zinc/93/43/01/740934301.db2.gz OUSIWFVDLMUFES-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993444 740934304 /nfs/dbraw/zinc/93/43/04/740934304.db2.gz OUSIWFVDLMUFES-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087993444 740934305 /nfs/dbraw/zinc/93/43/05/740934305.db2.gz OUSIWFVDLMUFES-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106194 741032604 /nfs/dbraw/zinc/03/26/04/741032604.db2.gz PRUQSTFRSXCKDH-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106194 741032609 /nfs/dbraw/zinc/03/26/09/741032609.db2.gz PRUQSTFRSXCKDH-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106194 741032611 /nfs/dbraw/zinc/03/26/11/741032611.db2.gz PRUQSTFRSXCKDH-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001088369382 741438141 /nfs/dbraw/zinc/43/81/41/741438141.db2.gz IRVDDZGKIKNBAV-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174377 742584327 /nfs/dbraw/zinc/58/43/27/742584327.db2.gz JNVABSRLCYHPFZ-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174377 742584330 /nfs/dbraw/zinc/58/43/30/742584330.db2.gz JNVABSRLCYHPFZ-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174377 742584332 /nfs/dbraw/zinc/58/43/32/742584332.db2.gz JNVABSRLCYHPFZ-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174377 742584335 /nfs/dbraw/zinc/58/43/35/742584335.db2.gz JNVABSRLCYHPFZ-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001183092352 743772713 /nfs/dbraw/zinc/77/27/13/743772713.db2.gz YFDXCDFKIASUSP-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CCC[C@H]12 ZINC000991998664 744519623 /nfs/dbraw/zinc/51/96/23/744519623.db2.gz YZWPASZDIHRKRO-YQVWRLOYSA-N 2 1 315.461 1.607 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248174 745160637 /nfs/dbraw/zinc/16/06/37/745160637.db2.gz XVEDSTUOWQWRGA-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248174 745160639 /nfs/dbraw/zinc/16/06/39/745160639.db2.gz XVEDSTUOWQWRGA-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000992778532 745193572 /nfs/dbraw/zinc/19/35/72/745193572.db2.gz ZKNSQEYHIKYDLP-ARFHVFGLSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC000992849052 745246156 /nfs/dbraw/zinc/24/61/56/745246156.db2.gz DATDALDNTJKDKG-QLFBSQMISA-N 2 1 314.433 1.537 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190656523 745286864 /nfs/dbraw/zinc/28/68/64/745286864.db2.gz UNVJVNRTDSKHKY-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001190656523 745286868 /nfs/dbraw/zinc/28/68/68/745286868.db2.gz UNVJVNRTDSKHKY-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106210933 745394579 /nfs/dbraw/zinc/39/45/79/745394579.db2.gz IZPVRPYZACMQDY-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046927013 746504847 /nfs/dbraw/zinc/50/48/47/746504847.db2.gz WXQSXGLQJAFOQG-CHWSQXEVSA-N 2 1 301.381 1.340 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046927013 746504851 /nfs/dbraw/zinc/50/48/51/746504851.db2.gz WXQSXGLQJAFOQG-CHWSQXEVSA-N 2 1 301.381 1.340 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046927013 746504854 /nfs/dbraw/zinc/50/48/54/746504854.db2.gz WXQSXGLQJAFOQG-CHWSQXEVSA-N 2 1 301.381 1.340 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cncc2C)CC(C)(C)C1 ZINC001089440599 746908111 /nfs/dbraw/zinc/90/81/11/746908111.db2.gz BQWUZPFZKFWYON-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440599 746908113 /nfs/dbraw/zinc/90/81/13/746908113.db2.gz BQWUZPFZKFWYON-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440599 746908114 /nfs/dbraw/zinc/90/81/14/746908114.db2.gz BQWUZPFZKFWYON-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493331 747189317 /nfs/dbraw/zinc/18/93/17/747189317.db2.gz IZDLRBLNCQUITK-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493331 747189319 /nfs/dbraw/zinc/18/93/19/747189319.db2.gz IZDLRBLNCQUITK-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493331 747189321 /nfs/dbraw/zinc/18/93/21/747189321.db2.gz IZDLRBLNCQUITK-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198616809 747550297 /nfs/dbraw/zinc/55/02/97/747550297.db2.gz JIFIAWKZOFOVCH-HOTGVXAUSA-N 2 1 317.433 1.722 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229489 748437649 /nfs/dbraw/zinc/43/76/49/748437649.db2.gz CQNYUAVIQUKNOW-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229489 748437654 /nfs/dbraw/zinc/43/76/54/748437654.db2.gz CQNYUAVIQUKNOW-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004615473 748590912 /nfs/dbraw/zinc/59/09/12/748590912.db2.gz GPCNOJAEBQAGNK-QGZVFWFLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864404 748614750 /nfs/dbraw/zinc/61/47/50/748614750.db2.gz WJXVUTDUDQKULM-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033365178 749253978 /nfs/dbraw/zinc/25/39/78/749253978.db2.gz CIHLUPQTTNPPRM-GOEBONIOSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033365178 749253980 /nfs/dbraw/zinc/25/39/80/749253980.db2.gz CIHLUPQTTNPPRM-GOEBONIOSA-N 2 1 302.422 1.473 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033540269 749515666 /nfs/dbraw/zinc/51/56/66/749515666.db2.gz ORTNBEKKRSFCOK-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033540269 749515670 /nfs/dbraw/zinc/51/56/70/749515670.db2.gz ORTNBEKKRSFCOK-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001039386572 761986779 /nfs/dbraw/zinc/98/67/79/761986779.db2.gz TXKSCNHEHCYBRQ-CVEARBPZSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095532699 750018978 /nfs/dbraw/zinc/01/89/78/750018978.db2.gz MENPMHCCRVWZAY-YVSFHVDLSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095532699 750018987 /nfs/dbraw/zinc/01/89/87/750018987.db2.gz MENPMHCCRVWZAY-YVSFHVDLSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095532699 750018995 /nfs/dbraw/zinc/01/89/95/750018995.db2.gz MENPMHCCRVWZAY-YVSFHVDLSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899243 750085994 /nfs/dbraw/zinc/08/59/94/750085994.db2.gz VVQOBZHYXGGJEL-QGZVFWFLSA-N 2 1 310.401 1.894 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005502435 750360629 /nfs/dbraw/zinc/36/06/29/750360629.db2.gz FJYWKLWXROWJQM-OAHLLOKOSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997132999 750545240 /nfs/dbraw/zinc/54/52/40/750545240.db2.gz UYZUOKXOQXDJIS-SJLPKXTDSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001032443288 750857191 /nfs/dbraw/zinc/85/71/91/750857191.db2.gz QLEPXGJJZKMIAL-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032443288 750857200 /nfs/dbraw/zinc/85/72/00/750857200.db2.gz QLEPXGJJZKMIAL-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001032443288 750857208 /nfs/dbraw/zinc/85/72/08/750857208.db2.gz QLEPXGJJZKMIAL-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997637677 751171739 /nfs/dbraw/zinc/17/17/39/751171739.db2.gz BOOJDXLFSSOSLJ-IJEWVQPXSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997637677 751171742 /nfs/dbraw/zinc/17/17/42/751171742.db2.gz BOOJDXLFSSOSLJ-IJEWVQPXSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CN(C)CCO1)CC2 ZINC001035170549 751256251 /nfs/dbraw/zinc/25/62/51/751256251.db2.gz QTOAIQRNGOABFK-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)CC2 ZINC001035170549 751256254 /nfs/dbraw/zinc/25/62/54/751256254.db2.gz QTOAIQRNGOABFK-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)CC2 ZINC001035170549 751256261 /nfs/dbraw/zinc/25/62/61/751256261.db2.gz QTOAIQRNGOABFK-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035170549 751256266 /nfs/dbraw/zinc/25/62/66/751256266.db2.gz QTOAIQRNGOABFK-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)CCO1)CC2 ZINC001035170549 751256269 /nfs/dbraw/zinc/25/62/69/751256269.db2.gz QTOAIQRNGOABFK-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185261 751277575 /nfs/dbraw/zinc/27/75/75/751277575.db2.gz QIYUVXNDSVHVRP-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185261 751277579 /nfs/dbraw/zinc/27/75/79/751277579.db2.gz QIYUVXNDSVHVRP-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185261 751277585 /nfs/dbraw/zinc/27/75/85/751277585.db2.gz QIYUVXNDSVHVRP-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035204752 751285629 /nfs/dbraw/zinc/28/56/29/751285629.db2.gz BDKSZWIMGFZVMT-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035204752 751285631 /nfs/dbraw/zinc/28/56/31/751285631.db2.gz BDKSZWIMGFZVMT-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001095915348 751326269 /nfs/dbraw/zinc/32/62/69/751326269.db2.gz CBPFCWFAQBFOCQ-FXUDXRNXSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001095915348 751326275 /nfs/dbraw/zinc/32/62/75/751326275.db2.gz CBPFCWFAQBFOCQ-FXUDXRNXSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095915348 751326280 /nfs/dbraw/zinc/32/62/80/751326280.db2.gz CBPFCWFAQBFOCQ-FXUDXRNXSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001095915348 751326285 /nfs/dbraw/zinc/32/62/85/751326285.db2.gz CBPFCWFAQBFOCQ-FXUDXRNXSA-N 2 1 307.438 1.003 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511219 752774810 /nfs/dbraw/zinc/77/48/10/752774810.db2.gz VFRMOHUZCOCXDQ-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511219 752774812 /nfs/dbraw/zinc/77/48/12/752774812.db2.gz VFRMOHUZCOCXDQ-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008511219 752774815 /nfs/dbraw/zinc/77/48/15/752774815.db2.gz VFRMOHUZCOCXDQ-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008511219 752774817 /nfs/dbraw/zinc/77/48/17/752774817.db2.gz VFRMOHUZCOCXDQ-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008535350 752787728 /nfs/dbraw/zinc/78/77/28/752787728.db2.gz TUGQFSHLMBHLLR-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008535350 752787732 /nfs/dbraw/zinc/78/77/32/752787732.db2.gz TUGQFSHLMBHLLR-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001008741556 752898061 /nfs/dbraw/zinc/89/80/61/752898061.db2.gz XUGZXUBIVGKNGM-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008741556 752898069 /nfs/dbraw/zinc/89/80/69/752898069.db2.gz XUGZXUBIVGKNGM-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999766867 753131424 /nfs/dbraw/zinc/13/14/24/753131424.db2.gz TUHZANZBRYTPRN-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032724589 753359564 /nfs/dbraw/zinc/35/95/64/753359564.db2.gz AYBKQLNJNWCCHX-ROUUACIJSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107999024 753426503 /nfs/dbraw/zinc/42/65/03/753426503.db2.gz XBUZPEKSAOUYBX-NVXWUHKLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107999024 753426505 /nfs/dbraw/zinc/42/65/05/753426505.db2.gz XBUZPEKSAOUYBX-NVXWUHKLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080099712 755722508 /nfs/dbraw/zinc/72/25/08/755722508.db2.gz WZRYIDRCGSLMAR-CZUORRHYSA-N 2 1 311.389 1.503 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433572 755733887 /nfs/dbraw/zinc/73/38/87/755733887.db2.gz KXYHBBJDLYEHBG-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433572 755733893 /nfs/dbraw/zinc/73/38/93/755733893.db2.gz KXYHBBJDLYEHBG-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433572 755733898 /nfs/dbraw/zinc/73/38/98/755733898.db2.gz KXYHBBJDLYEHBG-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080318339 755849537 /nfs/dbraw/zinc/84/95/37/755849537.db2.gz OMPGLCDQCSOFTO-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080318339 755849541 /nfs/dbraw/zinc/84/95/41/755849541.db2.gz OMPGLCDQCSOFTO-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318339 755849546 /nfs/dbraw/zinc/84/95/46/755849546.db2.gz OMPGLCDQCSOFTO-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318339 755849551 /nfs/dbraw/zinc/84/95/51/755849551.db2.gz OMPGLCDQCSOFTO-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080449785 755910385 /nfs/dbraw/zinc/91/03/85/755910385.db2.gz ZHJBJRXHUFKUIM-CKEIUWERSA-N 2 1 309.429 1.269 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080449785 755910390 /nfs/dbraw/zinc/91/03/90/755910390.db2.gz ZHJBJRXHUFKUIM-CKEIUWERSA-N 2 1 309.429 1.269 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080449785 755910393 /nfs/dbraw/zinc/91/03/93/755910393.db2.gz ZHJBJRXHUFKUIM-CKEIUWERSA-N 2 1 309.429 1.269 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080449785 755910399 /nfs/dbraw/zinc/91/03/99/755910399.db2.gz ZHJBJRXHUFKUIM-CKEIUWERSA-N 2 1 309.429 1.269 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554071 755977374 /nfs/dbraw/zinc/97/73/74/755977374.db2.gz ARCDIIMWDQHYED-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001080554071 755977376 /nfs/dbraw/zinc/97/73/76/755977376.db2.gz ARCDIIMWDQHYED-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081885003 756507051 /nfs/dbraw/zinc/50/70/51/756507051.db2.gz VXQRUHDNSFYHDA-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081885003 756507053 /nfs/dbraw/zinc/50/70/53/756507053.db2.gz VXQRUHDNSFYHDA-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081885003 756507055 /nfs/dbraw/zinc/50/70/55/756507055.db2.gz VXQRUHDNSFYHDA-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081885003 756507056 /nfs/dbraw/zinc/50/70/56/756507056.db2.gz VXQRUHDNSFYHDA-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015969970 756686269 /nfs/dbraw/zinc/68/62/69/756686269.db2.gz FDTJCVXSLNOFLX-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083105120 757138881 /nfs/dbraw/zinc/13/88/81/757138881.db2.gz KEBQWAOVRXCFFF-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083105120 757138892 /nfs/dbraw/zinc/13/88/92/757138892.db2.gz KEBQWAOVRXCFFF-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105120 757138896 /nfs/dbraw/zinc/13/88/96/757138896.db2.gz KEBQWAOVRXCFFF-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105120 757138903 /nfs/dbraw/zinc/13/89/03/757138903.db2.gz KEBQWAOVRXCFFF-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001075302 762527035 /nfs/dbraw/zinc/52/70/35/762527035.db2.gz GFXNICIMRZANSU-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075302 762527042 /nfs/dbraw/zinc/52/70/42/762527042.db2.gz GFXNICIMRZANSU-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001001075302 762527049 /nfs/dbraw/zinc/52/70/49/762527049.db2.gz GFXNICIMRZANSU-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001097552865 757241309 /nfs/dbraw/zinc/24/13/09/757241309.db2.gz IBYWWWPJCBZZBT-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001097552865 757241312 /nfs/dbraw/zinc/24/13/12/757241312.db2.gz IBYWWWPJCBZZBT-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706523 757669560 /nfs/dbraw/zinc/66/95/60/757669560.db2.gz ULEKAVJXAHWLQE-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706523 757669567 /nfs/dbraw/zinc/66/95/67/757669567.db2.gz ULEKAVJXAHWLQE-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745235 757855165 /nfs/dbraw/zinc/85/51/65/757855165.db2.gz OWYGZUYDRNYYQI-NVXWUHKLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040530622 762580343 /nfs/dbraw/zinc/58/03/43/762580343.db2.gz DSFWCJCQYHWLRC-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040530622 762580345 /nfs/dbraw/zinc/58/03/45/762580345.db2.gz DSFWCJCQYHWLRC-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040530622 762580352 /nfs/dbraw/zinc/58/03/52/762580352.db2.gz DSFWCJCQYHWLRC-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001017563900 758033653 /nfs/dbraw/zinc/03/36/53/758033653.db2.gz NKNDWEPDMJYVKB-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001017563900 758033669 /nfs/dbraw/zinc/03/36/69/758033669.db2.gz NKNDWEPDMJYVKB-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001017563900 758033681 /nfs/dbraw/zinc/03/36/81/758033681.db2.gz NKNDWEPDMJYVKB-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938842 758081922 /nfs/dbraw/zinc/08/19/22/758081922.db2.gz HJOZQTURMDTXFW-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938842 758081932 /nfs/dbraw/zinc/08/19/32/758081932.db2.gz HJOZQTURMDTXFW-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938842 758081941 /nfs/dbraw/zinc/08/19/41/758081941.db2.gz HJOZQTURMDTXFW-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084972068 758112613 /nfs/dbraw/zinc/11/26/13/758112613.db2.gz NDTCPWHUPDDTTQ-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972068 758112618 /nfs/dbraw/zinc/11/26/18/758112618.db2.gz NDTCPWHUPDDTTQ-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972068 758112628 /nfs/dbraw/zinc/11/26/28/758112628.db2.gz NDTCPWHUPDDTTQ-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001017845787 758293132 /nfs/dbraw/zinc/29/31/32/758293132.db2.gz FOTGXPODGHQWJT-BBWFWOEESA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001017845787 758293139 /nfs/dbraw/zinc/29/31/39/758293139.db2.gz FOTGXPODGHQWJT-BBWFWOEESA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017845787 758293146 /nfs/dbraw/zinc/29/31/46/758293146.db2.gz FOTGXPODGHQWJT-BBWFWOEESA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017845787 758293155 /nfs/dbraw/zinc/29/31/55/758293155.db2.gz FOTGXPODGHQWJT-BBWFWOEESA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C1CC[NH+](C)CC1)CO2 ZINC001053915159 758950159 /nfs/dbraw/zinc/95/01/59/758950159.db2.gz FGCNFVULOUWHAF-INIZCTEOSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197637 759283803 /nfs/dbraw/zinc/28/38/03/759283803.db2.gz GFQSKBPWWFCZSO-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197637 759283807 /nfs/dbraw/zinc/28/38/07/759283807.db2.gz GFQSKBPWWFCZSO-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@H](C)C1)C2 ZINC001054197637 759283812 /nfs/dbraw/zinc/28/38/12/759283812.db2.gz GFQSKBPWWFCZSO-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602037 759803736 /nfs/dbraw/zinc/80/37/36/759803736.db2.gz NTMFWHMELNJIBD-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001085602037 759803747 /nfs/dbraw/zinc/80/37/47/759803747.db2.gz NTMFWHMELNJIBD-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778770 760211906 /nfs/dbraw/zinc/21/19/06/760211906.db2.gz GZUCZNRYNBPCDO-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778770 760211911 /nfs/dbraw/zinc/21/19/11/760211911.db2.gz GZUCZNRYNBPCDO-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778770 760211915 /nfs/dbraw/zinc/21/19/15/760211915.db2.gz GZUCZNRYNBPCDO-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001108216393 760418995 /nfs/dbraw/zinc/41/89/95/760418995.db2.gz YNFZGXJNNPWALP-GOSISDBHSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046853356 767986360 /nfs/dbraw/zinc/98/63/60/767986360.db2.gz WZFGNHJBYFEWIB-LJQANCHMSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100039986 761113046 /nfs/dbraw/zinc/11/30/46/761113046.db2.gz ZJJHZVKAYDQWBF-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100039986 761113053 /nfs/dbraw/zinc/11/30/53/761113053.db2.gz ZJJHZVKAYDQWBF-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100039986 761113059 /nfs/dbraw/zinc/11/30/59/761113059.db2.gz ZJJHZVKAYDQWBF-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285987 762934126 /nfs/dbraw/zinc/93/41/26/762934126.db2.gz ITYHHIXLNLACCK-FUHWJXTLSA-N 2 1 303.450 1.439 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041296368 762941599 /nfs/dbraw/zinc/94/15/99/762941599.db2.gz GKKATYMFIBNEDQ-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296368 762941603 /nfs/dbraw/zinc/94/16/03/762941603.db2.gz GKKATYMFIBNEDQ-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296368 762941609 /nfs/dbraw/zinc/94/16/09/762941609.db2.gz GKKATYMFIBNEDQ-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041402387 763007896 /nfs/dbraw/zinc/00/78/96/763007896.db2.gz IGNFZNBXXKBHKZ-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041402387 763007903 /nfs/dbraw/zinc/00/79/03/763007903.db2.gz IGNFZNBXXKBHKZ-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041402387 763007909 /nfs/dbraw/zinc/00/79/09/763007909.db2.gz IGNFZNBXXKBHKZ-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041402387 763007914 /nfs/dbraw/zinc/00/79/14/763007914.db2.gz IGNFZNBXXKBHKZ-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048032 763061117 /nfs/dbraw/zinc/06/11/17/763061117.db2.gz ZPBVODZJKJUXHS-RCCFBDPRSA-N 2 1 315.461 1.274 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050049311 763062121 /nfs/dbraw/zinc/06/21/21/763062121.db2.gz JRTOJQKGRVPXKW-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050049311 763062125 /nfs/dbraw/zinc/06/21/25/763062125.db2.gz JRTOJQKGRVPXKW-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050049311 763062131 /nfs/dbraw/zinc/06/21/31/763062131.db2.gz JRTOJQKGRVPXKW-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001050124857 763176060 /nfs/dbraw/zinc/17/60/60/763176060.db2.gz NFZZQHZOGPTZRO-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001050124857 763176066 /nfs/dbraw/zinc/17/60/66/763176066.db2.gz NFZZQHZOGPTZRO-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001050124857 763176069 /nfs/dbraw/zinc/17/60/69/763176069.db2.gz NFZZQHZOGPTZRO-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001050124857 763176074 /nfs/dbraw/zinc/17/60/74/763176074.db2.gz NFZZQHZOGPTZRO-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041677655 763216778 /nfs/dbraw/zinc/21/67/78/763216778.db2.gz DOPSVRMKNXGUGQ-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041677655 763216784 /nfs/dbraw/zinc/21/67/84/763216784.db2.gz DOPSVRMKNXGUGQ-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041677655 763216794 /nfs/dbraw/zinc/21/67/94/763216794.db2.gz DOPSVRMKNXGUGQ-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001050157778 763236278 /nfs/dbraw/zinc/23/62/78/763236278.db2.gz LOPLJMSJUOBPTG-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042132030 763687822 /nfs/dbraw/zinc/68/78/22/763687822.db2.gz CBIWGMMBRSQHDG-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132396 763687978 /nfs/dbraw/zinc/68/79/78/763687978.db2.gz CARKTUJQGUVVDT-QAPCUYQASA-N 2 1 322.412 1.894 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042133052 763689240 /nfs/dbraw/zinc/68/92/40/763689240.db2.gz JECNJHKUVCDAOZ-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050544637 763736216 /nfs/dbraw/zinc/73/62/16/763736216.db2.gz RGELTPNMUHRUJQ-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)CC1 ZINC001050563130 763755841 /nfs/dbraw/zinc/75/58/41/763755841.db2.gz IKBGWSOKLFIQFC-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050662957 763886901 /nfs/dbraw/zinc/88/69/01/763886901.db2.gz NRFQFOQKETYRSV-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)CC1 ZINC001050740389 763983716 /nfs/dbraw/zinc/98/37/16/763983716.db2.gz KZVLVDBXQBZUFA-SFHVURJKSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090436889 764385778 /nfs/dbraw/zinc/38/57/78/764385778.db2.gz WOZHIRPAJQOGLH-HOTGVXAUSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386798 765781493 /nfs/dbraw/zinc/78/14/93/765781493.db2.gz SFSPPGSBSNNMMG-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527175 765922538 /nfs/dbraw/zinc/92/25/38/765922538.db2.gz SHSDWNVISRUDFC-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP N#Cc1ccc(CNc2cc[nH+]c(N3CCC([NH3+])CC3)n2)s1 ZINC001170199503 766182851 /nfs/dbraw/zinc/18/28/51/766182851.db2.gz SQCKASPTRGCDNN-UHFFFAOYSA-N 2 1 314.418 1.949 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461360 766322886 /nfs/dbraw/zinc/32/28/86/766322886.db2.gz VWEINHOGPWOULT-CQSZACIVSA-N 2 1 300.406 1.364 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045478961 766336635 /nfs/dbraw/zinc/33/66/35/766336635.db2.gz KUYCFEQOQGMJIB-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045478961 766336645 /nfs/dbraw/zinc/33/66/45/766336645.db2.gz KUYCFEQOQGMJIB-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114303875 766867123 /nfs/dbraw/zinc/86/71/23/766867123.db2.gz GQNZCKFEJHPOLN-WVZRYYJFSA-N 2 1 300.406 1.076 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114303875 766867136 /nfs/dbraw/zinc/86/71/36/766867136.db2.gz GQNZCKFEJHPOLN-WVZRYYJFSA-N 2 1 300.406 1.076 20 30 DDEDMP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416839 766875583 /nfs/dbraw/zinc/87/55/83/766875583.db2.gz KGDOIYXZVIPKOY-KRWDZBQOSA-N 2 1 322.412 1.518 20 30 DDEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569805 767698541 /nfs/dbraw/zinc/69/85/41/767698541.db2.gz OEFJPSFBHJREDW-WMLDXEAASA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569805 767698542 /nfs/dbraw/zinc/69/85/42/767698542.db2.gz OEFJPSFBHJREDW-WMLDXEAASA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@H]1C ZINC001132425894 768842054 /nfs/dbraw/zinc/84/20/54/768842054.db2.gz OLLZNGBWNARRQX-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001132886743 769288730 /nfs/dbraw/zinc/28/87/30/769288730.db2.gz SXHFWKZCTKUREP-GJZGRUSLSA-N 2 1 314.433 1.494 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001048533107 769502727 /nfs/dbraw/zinc/50/27/27/769502727.db2.gz PXCQIDVTQASSTH-YVSFHVDLSA-N 2 1 321.440 1.413 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001048533107 769502736 /nfs/dbraw/zinc/50/27/36/769502736.db2.gz PXCQIDVTQASSTH-YVSFHVDLSA-N 2 1 321.440 1.413 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001048533107 769502743 /nfs/dbraw/zinc/50/27/43/769502743.db2.gz PXCQIDVTQASSTH-YVSFHVDLSA-N 2 1 321.440 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001048533107 769502753 /nfs/dbraw/zinc/50/27/53/769502753.db2.gz PXCQIDVTQASSTH-YVSFHVDLSA-N 2 1 321.440 1.413 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133121399 769512039 /nfs/dbraw/zinc/51/20/39/769512039.db2.gz HTXASLGGASLRTE-IRXDYDNUSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562222 769535439 /nfs/dbraw/zinc/53/54/39/769535439.db2.gz KURYTMYTJORIAA-KSWRQPAISA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562222 769535444 /nfs/dbraw/zinc/53/54/44/769535444.db2.gz KURYTMYTJORIAA-KSWRQPAISA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562222 769535449 /nfs/dbraw/zinc/53/54/49/769535449.db2.gz KURYTMYTJORIAA-KSWRQPAISA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048589119 769564040 /nfs/dbraw/zinc/56/40/40/769564040.db2.gz CTQUXMDEEGKDJH-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048589119 769564045 /nfs/dbraw/zinc/56/40/45/769564045.db2.gz CTQUXMDEEGKDJH-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048589119 769564051 /nfs/dbraw/zinc/56/40/51/769564051.db2.gz CTQUXMDEEGKDJH-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071650264 769795812 /nfs/dbraw/zinc/79/58/12/769795812.db2.gz AICQTKJKAKZOSR-HOCLYGCPSA-N 2 1 310.401 1.940 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818726 769940192 /nfs/dbraw/zinc/94/01/92/769940192.db2.gz LMZACEQILSKPDO-WCXIOVBPSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818726 769940199 /nfs/dbraw/zinc/94/01/99/769940199.db2.gz LMZACEQILSKPDO-WCXIOVBPSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818726 769940205 /nfs/dbraw/zinc/94/02/05/769940205.db2.gz LMZACEQILSKPDO-WCXIOVBPSA-N 2 1 303.450 1.437 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823597 769946077 /nfs/dbraw/zinc/94/60/77/769946077.db2.gz FTZRCYBAOWOPQL-IXDOHACOSA-N 2 1 303.450 1.295 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863913 770012007 /nfs/dbraw/zinc/01/20/07/770012007.db2.gz PKOMULNWMUIMGV-XHSDSOJGSA-N 2 1 312.417 1.174 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863913 770012021 /nfs/dbraw/zinc/01/20/21/770012021.db2.gz PKOMULNWMUIMGV-XHSDSOJGSA-N 2 1 312.417 1.174 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821111 770123749 /nfs/dbraw/zinc/12/37/49/770123749.db2.gz JMCWKWKFNGFAIJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821111 770123752 /nfs/dbraw/zinc/12/37/52/770123752.db2.gz JMCWKWKFNGFAIJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821111 770123755 /nfs/dbraw/zinc/12/37/55/770123755.db2.gz JMCWKWKFNGFAIJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821111 770123759 /nfs/dbraw/zinc/12/37/59/770123759.db2.gz JMCWKWKFNGFAIJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049096945 770367101 /nfs/dbraw/zinc/36/71/01/770367101.db2.gz DSQQQHBUTPLEFA-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049096945 770367112 /nfs/dbraw/zinc/36/71/12/770367112.db2.gz DSQQQHBUTPLEFA-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049096945 770367119 /nfs/dbraw/zinc/36/71/19/770367119.db2.gz DSQQQHBUTPLEFA-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107320 770390619 /nfs/dbraw/zinc/39/06/19/770390619.db2.gz DTRRQJMWTLSALO-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107320 770390629 /nfs/dbraw/zinc/39/06/29/770390629.db2.gz DTRRQJMWTLSALO-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107320 770390638 /nfs/dbraw/zinc/39/06/38/770390638.db2.gz DTRRQJMWTLSALO-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP CC[C@@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001133982667 770524132 /nfs/dbraw/zinc/52/41/32/770524132.db2.gz GVDFIMQOQPUVHN-HNNXBMFYSA-N 2 1 306.385 1.243 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072098679 770541685 /nfs/dbraw/zinc/54/16/85/770541685.db2.gz DVKSALDMGHJDNS-DOTOQJQBSA-N 2 1 313.445 1.964 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049480541 770910446 /nfs/dbraw/zinc/91/04/46/770910446.db2.gz FUUXBGDSSMMOPD-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049480541 770910454 /nfs/dbraw/zinc/91/04/54/770910454.db2.gz FUUXBGDSSMMOPD-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049480541 770910459 /nfs/dbraw/zinc/91/04/59/770910459.db2.gz FUUXBGDSSMMOPD-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049519467 770966389 /nfs/dbraw/zinc/96/63/89/770966389.db2.gz ZKTYHBGDLREDOI-CVEARBPZSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049611432 771017188 /nfs/dbraw/zinc/01/71/88/771017188.db2.gz GIXUXZASBWCCQM-KZNAEPCWSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049720007 771112278 /nfs/dbraw/zinc/11/22/78/771112278.db2.gz QIGLDFNLSBWQFS-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049720007 771112281 /nfs/dbraw/zinc/11/22/81/771112281.db2.gz QIGLDFNLSBWQFS-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049720007 771112283 /nfs/dbraw/zinc/11/22/83/771112283.db2.gz QIGLDFNLSBWQFS-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134805625 771185562 /nfs/dbraw/zinc/18/55/62/771185562.db2.gz XLRULORUBLFCFU-OLZOCXBDSA-N 2 1 308.426 1.799 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135624803 771618843 /nfs/dbraw/zinc/61/88/43/771618843.db2.gz CBFIZLPMVSPMCV-HUUCEWRRSA-N 2 1 304.438 1.903 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[C@H](C)n2ccnc2)CC1 ZINC001098489126 771625662 /nfs/dbraw/zinc/62/56/62/771625662.db2.gz GGWNEAQDIKTDMT-HNNXBMFYSA-N 2 1 320.437 1.306 20 30 DDEDMP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135693114 771658041 /nfs/dbraw/zinc/65/80/41/771658041.db2.gz XMXZVCDVNPIKAN-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH2+]CC#CCOC)c1ccccc1 ZINC001147458160 773140553 /nfs/dbraw/zinc/14/05/53/773140553.db2.gz KVBMVUYSRQJTMW-QGZVFWFLSA-N 2 1 317.433 1.035 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001147749125 773231904 /nfs/dbraw/zinc/23/19/04/773231904.db2.gz SLXOTZSZXCCYRH-INIZCTEOSA-N 2 1 323.481 1.310 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073654696 773270139 /nfs/dbraw/zinc/27/01/39/773270139.db2.gz KTGBXGWCKSEUJF-MRXNPFEDSA-N 2 1 321.465 1.256 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073663377 773278820 /nfs/dbraw/zinc/27/88/20/773278820.db2.gz ZPSYMFDYLLIONB-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073663377 773278825 /nfs/dbraw/zinc/27/88/25/773278825.db2.gz ZPSYMFDYLLIONB-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073663377 773278831 /nfs/dbraw/zinc/27/88/31/773278831.db2.gz ZPSYMFDYLLIONB-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677707 773348182 /nfs/dbraw/zinc/34/81/82/773348182.db2.gz RPHGDPXSMODAFV-LMMKCTJWSA-N 2 1 317.477 1.685 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](O)C1 ZINC001099895973 773679438 /nfs/dbraw/zinc/67/94/38/773679438.db2.gz CEJVEARHRGVBHO-JKSUJKDBSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](O)C1 ZINC001099895973 773679439 /nfs/dbraw/zinc/67/94/39/773679439.db2.gz CEJVEARHRGVBHO-JKSUJKDBSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](O)C1 ZINC001099895973 773679440 /nfs/dbraw/zinc/67/94/40/773679440.db2.gz CEJVEARHRGVBHO-JKSUJKDBSA-N 2 1 323.481 1.377 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036716930 774390558 /nfs/dbraw/zinc/39/05/58/774390558.db2.gz NTCNYFILWVXASH-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846613 774692409 /nfs/dbraw/zinc/69/24/09/774692409.db2.gz NFWXDMXDLYBCNW-BMFAXAFESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846613 774692411 /nfs/dbraw/zinc/69/24/11/774692411.db2.gz NFWXDMXDLYBCNW-BMFAXAFESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846613 774692416 /nfs/dbraw/zinc/69/24/16/774692416.db2.gz NFWXDMXDLYBCNW-BMFAXAFESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001098990773 774759663 /nfs/dbraw/zinc/75/96/63/774759663.db2.gz FCUVALSZJFXBJX-AOIWGVFYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098990773 774759665 /nfs/dbraw/zinc/75/96/65/774759665.db2.gz FCUVALSZJFXBJX-AOIWGVFYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001098990773 774759670 /nfs/dbraw/zinc/75/96/70/774759670.db2.gz FCUVALSZJFXBJX-AOIWGVFYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100039958 775604758 /nfs/dbraw/zinc/60/47/58/775604758.db2.gz YZVPMHDNBUUAMZ-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100039958 775604762 /nfs/dbraw/zinc/60/47/62/775604762.db2.gz YZVPMHDNBUUAMZ-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100039958 775604765 /nfs/dbraw/zinc/60/47/65/775604765.db2.gz YZVPMHDNBUUAMZ-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896113 776009654 /nfs/dbraw/zinc/00/96/54/776009654.db2.gz JXWIMVSHCOZYJQ-HUUCEWRRSA-N 2 1 322.840 1.867 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896113 776009661 /nfs/dbraw/zinc/00/96/61/776009661.db2.gz JXWIMVSHCOZYJQ-HUUCEWRRSA-N 2 1 322.840 1.867 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729369 776478802 /nfs/dbraw/zinc/47/88/02/776478802.db2.gz CMBGEXCAWHYIGI-JCYILVPMSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100898467 776680703 /nfs/dbraw/zinc/68/07/03/776680703.db2.gz HIGRMSCNDPIDRC-UHFFFAOYSA-N 2 1 311.470 1.405 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001101594907 777286330 /nfs/dbraw/zinc/28/63/30/777286330.db2.gz WJLMJCFZXAISGI-HNNXBMFYSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048622 777833002 /nfs/dbraw/zinc/83/30/02/777833002.db2.gz IUHUSIYYPOCPNZ-OIISXLGYSA-N 2 1 307.482 1.977 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977013 778519345 /nfs/dbraw/zinc/51/93/45/778519345.db2.gz IQQIFNSCMBLNHN-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977013 778519353 /nfs/dbraw/zinc/51/93/53/778519353.db2.gz IQQIFNSCMBLNHN-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001102977013 778519361 /nfs/dbraw/zinc/51/93/61/778519361.db2.gz IQQIFNSCMBLNHN-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993868 778538844 /nfs/dbraw/zinc/53/88/44/778538844.db2.gz HSJUVQWRZSTNNU-NXHRZFHOSA-N 2 1 317.477 1.426 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103113822 778646818 /nfs/dbraw/zinc/64/68/18/778646818.db2.gz YTUQQJZNLAGCJT-ZACQAIPSSA-N 2 1 307.482 1.670 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001179714022 779466637 /nfs/dbraw/zinc/46/66/37/779466637.db2.gz BSYHVNHJTFCUIB-UHFFFAOYSA-N 2 1 304.438 1.906 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112072218 779614369 /nfs/dbraw/zinc/61/43/69/779614369.db2.gz OGTHUAWLCKKJIY-UPJWGTAASA-N 2 1 317.355 1.083 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180264223 779684263 /nfs/dbraw/zinc/68/42/63/779684263.db2.gz CRTOHQJYKZXKBI-INIZCTEOSA-N 2 1 311.470 1.407 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001267296556 837773242 /nfs/dbraw/zinc/77/32/42/837773242.db2.gz PSZZIPJTEXTHDS-HZPDHXFCSA-N 2 1 316.449 1.850 20 30 DDEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001271779082 844104277 /nfs/dbraw/zinc/10/42/77/844104277.db2.gz SPGFWCQESYJQCY-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001271779082 844104284 /nfs/dbraw/zinc/10/42/84/844104284.db2.gz SPGFWCQESYJQCY-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001271779082 844104286 /nfs/dbraw/zinc/10/42/86/844104286.db2.gz SPGFWCQESYJQCY-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001279454037 836523833 /nfs/dbraw/zinc/52/38/33/836523833.db2.gz VKGIQBWXJHRVSJ-MRXNPFEDSA-N 2 1 322.497 1.075 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266753049 836781073 /nfs/dbraw/zinc/78/10/73/836781073.db2.gz ZRVIUPZYLUWCDL-SJORKVTESA-N 2 1 323.481 1.051 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267568748 838323938 /nfs/dbraw/zinc/32/39/38/838323938.db2.gz XSZPYHSCBWQVMN-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267568748 838323946 /nfs/dbraw/zinc/32/39/46/838323946.db2.gz XSZPYHSCBWQVMN-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(CN(C)C)on2)C1 ZINC001025460714 838464926 /nfs/dbraw/zinc/46/49/26/838464926.db2.gz LJQRDOXERBTPHC-ZIAGYGMSSA-N 2 1 318.421 1.200 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267622267 838513990 /nfs/dbraw/zinc/51/39/90/838513990.db2.gz SROPOYXVJGKFBO-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267703422 838678730 /nfs/dbraw/zinc/67/87/30/838678730.db2.gz OYPICKTULCCIAO-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001272111995 844622701 /nfs/dbraw/zinc/62/27/01/844622701.db2.gz YTKRREDNEOTEDL-OAHLLOKOSA-N 2 1 302.422 1.167 20 30 DDEDMP C#CCC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001269649444 841896708 /nfs/dbraw/zinc/89/67/08/841896708.db2.gz FPQIYFBIQCKCAZ-UHFFFAOYSA-N 2 1 321.465 1.045 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001270681693 842813504 /nfs/dbraw/zinc/81/35/04/842813504.db2.gz CIZSRSWPWVRETN-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1conc1C ZINC001270995186 843120952 /nfs/dbraw/zinc/12/09/52/843120952.db2.gz IFTVJXUEMWKNIN-CJNGLKHVSA-N 2 1 318.421 1.017 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1conc1C ZINC001270995186 843120958 /nfs/dbraw/zinc/12/09/58/843120958.db2.gz IFTVJXUEMWKNIN-CJNGLKHVSA-N 2 1 318.421 1.017 20 30 DDEDMP CC[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271007260 843128073 /nfs/dbraw/zinc/12/80/73/843128073.db2.gz LMWLHMKCXGFLDU-AEFFLSMTSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001271639788 843750081 /nfs/dbraw/zinc/75/00/81/843750081.db2.gz MWRTWWLCSCSJLY-HOCLYGCPSA-N 2 1 320.437 1.078 20 30 DDEDMP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001271748898 843836640 /nfs/dbraw/zinc/83/66/40/843836640.db2.gz BVRLAWLLYRPDTG-HOCLYGCPSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001272227496 844782108 /nfs/dbraw/zinc/78/21/08/844782108.db2.gz VPCZBTHOMNMEMP-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001272715973 846703140 /nfs/dbraw/zinc/70/31/40/846703140.db2.gz BKWHFNICAOOPKW-GOSISDBHSA-N 2 1 321.465 1.352 20 30 DDEDMP C=CCN1C[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001272715973 846703151 /nfs/dbraw/zinc/70/31/51/846703151.db2.gz BKWHFNICAOOPKW-GOSISDBHSA-N 2 1 321.465 1.352 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326977966 861767338 /nfs/dbraw/zinc/76/73/38/861767338.db2.gz JXGBPGDVTZEYQY-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001272871830 847574061 /nfs/dbraw/zinc/57/40/61/847574061.db2.gz YPXNBPLSNPABCS-SFHVURJKSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001272871830 847574067 /nfs/dbraw/zinc/57/40/67/847574067.db2.gz YPXNBPLSNPABCS-SFHVURJKSA-N 2 1 323.481 1.311 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC001327036482 861820305 /nfs/dbraw/zinc/82/03/05/861820305.db2.gz UIBVJRXOKPFJKP-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309421 848302318 /nfs/dbraw/zinc/30/23/18/848302318.db2.gz LYTCVDMZOFQJPW-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CCNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273144379 848565740 /nfs/dbraw/zinc/56/57/40/848565740.db2.gz PQJNEIYJNVTEAE-CVEARBPZSA-N 2 1 303.450 1.180 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149841950 861936932 /nfs/dbraw/zinc/93/69/32/861936932.db2.gz MZVVYQIIRUOVQJ-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP N#Cc1c[nH]c2nc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)ccc12 ZINC001155375168 862006586 /nfs/dbraw/zinc/00/65/86/862006586.db2.gz BRQFSYWHDPGVNZ-AWEZNQCLSA-N 2 1 310.405 1.294 20 30 DDEDMP Cc1cnc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c(/C=N/O)c1 ZINC001155378434 862012924 /nfs/dbraw/zinc/01/29/24/862012924.db2.gz YXNJHPCOUHGXGN-ODGHKMFZSA-N 2 1 303.410 1.057 20 30 DDEDMP C=CCOc1cc(C)nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155375981 862010621 /nfs/dbraw/zinc/01/06/21/862010621.db2.gz JVHFQMCXBLNSSS-OAHLLOKOSA-N 2 1 317.437 1.209 20 30 DDEDMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cccc(C#N)c4)CC3)[C@@H]2C1 ZINC001275290782 852957035 /nfs/dbraw/zinc/95/70/35/852957035.db2.gz BFWVWFADGIBODI-IAGOWNOFSA-N 2 1 324.428 1.200 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150760857 862456241 /nfs/dbraw/zinc/45/62/41/862456241.db2.gz CSKHMVYWPMQVQK-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001275915137 853938732 /nfs/dbraw/zinc/93/87/32/853938732.db2.gz JXQXBIWAKJZBMU-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001151019415 862580674 /nfs/dbraw/zinc/58/06/74/862580674.db2.gz YUCDRYOXTPMBHG-HOTGVXAUSA-N 2 1 305.397 1.805 20 30 DDEDMP C#Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)[C@H]2C[N@H+](C)C[C@@H]23)c1 ZINC001276096157 854760656 /nfs/dbraw/zinc/76/06/56/854760656.db2.gz CLZCTCVVWIKJKB-ROUUACIJSA-N 2 1 323.440 1.310 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001328283920 862866627 /nfs/dbraw/zinc/86/66/27/862866627.db2.gz NDYQAZNKQDLKRL-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072799410 857714720 /nfs/dbraw/zinc/71/47/20/857714720.db2.gz JRZCZPVYGKNJNO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799410 857714724 /nfs/dbraw/zinc/71/47/24/857714724.db2.gz JRZCZPVYGKNJNO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799410 857714733 /nfs/dbraw/zinc/71/47/33/857714733.db2.gz JRZCZPVYGKNJNO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072799451 857715411 /nfs/dbraw/zinc/71/54/11/857715411.db2.gz LWOLZLDZFBSLFN-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799451 857715416 /nfs/dbraw/zinc/71/54/16/857715416.db2.gz LWOLZLDZFBSLFN-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799451 857715419 /nfs/dbraw/zinc/71/54/19/857715419.db2.gz LWOLZLDZFBSLFN-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC001072813044 857740950 /nfs/dbraw/zinc/74/09/50/857740950.db2.gz DBNJWYXLEZHHIL-AWEZNQCLSA-N 2 1 300.406 1.481 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813044 857740959 /nfs/dbraw/zinc/74/09/59/857740959.db2.gz DBNJWYXLEZHHIL-AWEZNQCLSA-N 2 1 300.406 1.481 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036884 858030220 /nfs/dbraw/zinc/03/02/20/858030220.db2.gz OJMWYDMEMADGBL-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121772488 858592733 /nfs/dbraw/zinc/59/27/33/858592733.db2.gz BIULCUSGSJBGFJ-XZZVAGQJSA-N 2 1 303.450 1.224 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872603 860214678 /nfs/dbraw/zinc/21/46/78/860214678.db2.gz JAXQHZLRZRTREH-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(C#N)ccc1F ZINC001139648979 860447523 /nfs/dbraw/zinc/44/75/23/860447523.db2.gz IYAUJWDPDDCUGY-ZWKOTPCHSA-N 2 1 316.424 1.908 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(C#N)ccc1F ZINC001139648979 860447526 /nfs/dbraw/zinc/44/75/26/860447526.db2.gz IYAUJWDPDDCUGY-ZWKOTPCHSA-N 2 1 316.424 1.908 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328781744 863221242 /nfs/dbraw/zinc/22/12/42/863221242.db2.gz VKLUXZJZPYBGFV-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](F)CC ZINC001153864337 864176203 /nfs/dbraw/zinc/17/62/03/864176203.db2.gz QEQQQOPJHMLZAU-PMPSAXMXSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC ZINC001153864337 864176206 /nfs/dbraw/zinc/17/62/06/864176206.db2.gz QEQQQOPJHMLZAU-PMPSAXMXSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](F)CC ZINC001153864337 864176207 /nfs/dbraw/zinc/17/62/07/864176207.db2.gz QEQQQOPJHMLZAU-PMPSAXMXSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](F)CC ZINC001153864337 864176212 /nfs/dbraw/zinc/17/62/12/864176212.db2.gz QEQQQOPJHMLZAU-PMPSAXMXSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001330295120 864221685 /nfs/dbraw/zinc/22/16/85/864221685.db2.gz CSIKURIGDKSYKF-OSYLJGHBSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157973624 864322986 /nfs/dbraw/zinc/32/29/86/864322986.db2.gz LJQGBVQZYGKAFV-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001330467212 864372814 /nfs/dbraw/zinc/37/28/14/864372814.db2.gz MIPUPICRIUFMNK-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001330487513 864398583 /nfs/dbraw/zinc/39/85/83/864398583.db2.gz JNRLJAXIKBDGHR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001330487513 864398587 /nfs/dbraw/zinc/39/85/87/864398587.db2.gz JNRLJAXIKBDGHR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001330487513 864398597 /nfs/dbraw/zinc/39/85/97/864398597.db2.gz JNRLJAXIKBDGHR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001330487513 864398603 /nfs/dbraw/zinc/39/86/03/864398603.db2.gz JNRLJAXIKBDGHR-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872355 864952600 /nfs/dbraw/zinc/95/26/00/864952600.db2.gz KBZDLVNHQAGMAZ-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001158872355 864952605 /nfs/dbraw/zinc/95/26/05/864952605.db2.gz KBZDLVNHQAGMAZ-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001331358030 865030572 /nfs/dbraw/zinc/03/05/72/865030572.db2.gz ABUJGOOYKOPBGG-QZTJIDSGSA-N 2 1 313.445 1.749 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001332204599 865665674 /nfs/dbraw/zinc/66/56/74/865665674.db2.gz HSTKCCUHIXXXBA-HOCLYGCPSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001333354380 866663821 /nfs/dbraw/zinc/66/38/21/866663821.db2.gz IGNFSZNQAFOGSR-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001333354380 866663826 /nfs/dbraw/zinc/66/38/26/866663826.db2.gz IGNFSZNQAFOGSR-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001333354380 866663831 /nfs/dbraw/zinc/66/38/31/866663831.db2.gz IGNFSZNQAFOGSR-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001323640778 866741184 /nfs/dbraw/zinc/74/11/84/866741184.db2.gz FGKMDVUXNOPFPK-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001323640778 866741193 /nfs/dbraw/zinc/74/11/93/866741193.db2.gz FGKMDVUXNOPFPK-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161856861 867035406 /nfs/dbraw/zinc/03/54/06/867035406.db2.gz JRUDRNPOJUSVJR-OAHLLOKOSA-N 2 1 311.857 1.829 20 30 DDEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161856861 867035412 /nfs/dbraw/zinc/03/54/12/867035412.db2.gz JRUDRNPOJUSVJR-OAHLLOKOSA-N 2 1 311.857 1.829 20 30 DDEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161856861 867035428 /nfs/dbraw/zinc/03/54/28/867035428.db2.gz JRUDRNPOJUSVJR-OAHLLOKOSA-N 2 1 311.857 1.829 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001161856861 867035446 /nfs/dbraw/zinc/03/54/46/867035446.db2.gz JRUDRNPOJUSVJR-OAHLLOKOSA-N 2 1 311.857 1.829 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001324082096 867059549 /nfs/dbraw/zinc/05/95/49/867059549.db2.gz RAZFGLNCBACDOA-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP CCN(CC[NH2+]Cc1cc(F)ccc1C#N)C(=O)CC[NH+](C)C ZINC001320830459 867061409 /nfs/dbraw/zinc/06/14/09/867061409.db2.gz PDGLDZKBMLBIIV-UHFFFAOYSA-N 2 1 320.412 1.587 20 30 DDEDMP C=C(Br)C[NH2+]CCN(CC)C(=O)C[N@@H+](C)C(C)C ZINC001320930186 867127421 /nfs/dbraw/zinc/12/74/21/867127421.db2.gz WAFXNBBWCCRGBL-UHFFFAOYSA-N 2 1 320.275 1.673 20 30 DDEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCC=C)CC1 ZINC001324431646 867274713 /nfs/dbraw/zinc/27/47/13/867274713.db2.gz DRGCVXMRXWFBRN-UHFFFAOYSA-N 2 1 305.466 1.831 20 30 DDEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001324869965 867592303 /nfs/dbraw/zinc/59/23/03/867592303.db2.gz UJSCDFVKCPRBHO-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325053373 867723659 /nfs/dbraw/zinc/72/36/59/867723659.db2.gz IMPKGMVUGUBWQG-AWEZNQCLSA-N 2 1 315.408 1.423 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001325053373 867723665 /nfs/dbraw/zinc/72/36/65/867723665.db2.gz IMPKGMVUGUBWQG-AWEZNQCLSA-N 2 1 315.408 1.423 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001325053373 867723670 /nfs/dbraw/zinc/72/36/70/867723670.db2.gz IMPKGMVUGUBWQG-AWEZNQCLSA-N 2 1 315.408 1.423 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001325053373 867723675 /nfs/dbraw/zinc/72/36/75/867723675.db2.gz IMPKGMVUGUBWQG-AWEZNQCLSA-N 2 1 315.408 1.423 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001325055754 867727338 /nfs/dbraw/zinc/72/73/38/867727338.db2.gz VFSSGZPVNVBFHO-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001325055754 867727350 /nfs/dbraw/zinc/72/73/50/867727350.db2.gz VFSSGZPVNVBFHO-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001325055754 867727361 /nfs/dbraw/zinc/72/73/61/867727361.db2.gz VFSSGZPVNVBFHO-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001162997562 867980921 /nfs/dbraw/zinc/98/09/21/867980921.db2.gz XVMBSTANLQIFPM-SFHVURJKSA-N 2 1 313.445 1.232 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001325649379 868213936 /nfs/dbraw/zinc/21/39/36/868213936.db2.gz OSQVKXRSXPVNRY-ULQDDVLXSA-N 2 1 305.466 1.616 20 30 DDEDMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1cc(C#N)ccc1F ZINC001381572860 882198908 /nfs/dbraw/zinc/19/89/08/882198908.db2.gz ZXSVDNVEYCACGH-CYBMUJFWSA-N 2 1 320.412 1.586 20 30 DDEDMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001381572860 882198917 /nfs/dbraw/zinc/19/89/17/882198917.db2.gz ZXSVDNVEYCACGH-CYBMUJFWSA-N 2 1 320.412 1.586 20 30 DDEDMP C[NH+](C)C1(CNc2cnc3[nH]cc(C#N)c3c2)CC[NH+](C)CC1 ZINC001164213082 869022670 /nfs/dbraw/zinc/02/26/70/869022670.db2.gz NIYQYVDCQVPCDG-UHFFFAOYSA-N 2 1 312.421 1.872 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485108 869616992 /nfs/dbraw/zinc/61/69/92/869616992.db2.gz MEKIFKBRRAVZGW-OAHLLOKOSA-N 2 1 314.433 1.660 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165735773 869695703 /nfs/dbraw/zinc/69/57/03/869695703.db2.gz FHHPEOKBMSGLFX-IRXDYDNUSA-N 2 1 317.477 1.903 20 30 DDEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001316999457 870103684 /nfs/dbraw/zinc/10/36/84/870103684.db2.gz NIIMJBYHTFFVPL-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001316999457 870103689 /nfs/dbraw/zinc/10/36/89/870103689.db2.gz NIIMJBYHTFFVPL-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001317005177 870110910 /nfs/dbraw/zinc/11/09/10/870110910.db2.gz DSFFNLLEJQJLFS-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001166634170 870114628 /nfs/dbraw/zinc/11/46/28/870114628.db2.gz PXGVPALUTZLZOK-KRWDZBQOSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001317044352 870158502 /nfs/dbraw/zinc/15/85/02/870158502.db2.gz LIKUKIFLQXVJQS-ARFHVFGLSA-N 2 1 314.433 1.707 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001317089224 870229403 /nfs/dbraw/zinc/22/94/03/870229403.db2.gz WAOFPXBYPFPJGX-IYARVYRRSA-N 2 1 315.461 1.974 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317160786 870385997 /nfs/dbraw/zinc/38/59/97/870385997.db2.gz GLARQIMUKKYYIV-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317512751 870960145 /nfs/dbraw/zinc/96/01/45/870960145.db2.gz CWQUKTRZYIZFKL-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317512751 870960154 /nfs/dbraw/zinc/96/01/54/870960154.db2.gz CWQUKTRZYIZFKL-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001316687852 871081629 /nfs/dbraw/zinc/08/16/29/871081629.db2.gz VOIFMBVFBNJGST-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC#CC)CC1 ZINC001317684280 871405534 /nfs/dbraw/zinc/40/55/34/871405534.db2.gz BIHQANFDOLWKGR-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC#CC)CC1 ZINC001317684280 871405545 /nfs/dbraw/zinc/40/55/45/871405545.db2.gz BIHQANFDOLWKGR-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001316757901 871998884 /nfs/dbraw/zinc/99/88/84/871998884.db2.gz YVPADJGUHZCKPY-IXDOHACOSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206603399 872468590 /nfs/dbraw/zinc/46/85/90/872468590.db2.gz OARQFHBNBLXRIM-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250928 874757033 /nfs/dbraw/zinc/75/70/33/874757033.db2.gz JTRMHYSZPPDKQK-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210350404 875340757 /nfs/dbraw/zinc/34/07/57/875340757.db2.gz QUJFXYFHKSYJFC-MRXNPFEDSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434516 875938708 /nfs/dbraw/zinc/93/87/08/875938708.db2.gz FMYZXTIRIJXOFS-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213767284 876052100 /nfs/dbraw/zinc/05/21/00/876052100.db2.gz LKBCAVWQMDUAKP-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767284 876052114 /nfs/dbraw/zinc/05/21/14/876052114.db2.gz LKBCAVWQMDUAKP-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767284 876052126 /nfs/dbraw/zinc/05/21/26/876052126.db2.gz LKBCAVWQMDUAKP-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001379002649 876116070 /nfs/dbraw/zinc/11/60/70/876116070.db2.gz WIAYEBWTHXFZCA-KBPBESRZSA-N 2 1 301.862 1.811 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001214855818 876484412 /nfs/dbraw/zinc/48/44/12/876484412.db2.gz OPIFSZLNQPIANW-KFWWJZLASA-N 2 1 300.406 1.220 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634225 877904199 /nfs/dbraw/zinc/90/41/99/877904199.db2.gz BOEXLZQQXSMKGS-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374271282 912387897 /nfs/dbraw/zinc/38/78/97/912387897.db2.gz MBUYKUVEERETNP-IUODEOHRSA-N 2 1 320.462 1.650 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001223831129 881116159 /nfs/dbraw/zinc/11/61/59/881116159.db2.gz BOYLFBMCVPMAJS-UHFFFAOYSA-N 2 1 316.449 1.776 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227412 881283793 /nfs/dbraw/zinc/28/37/93/881283793.db2.gz KGGSFNUBHOMQGH-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 ZINC001224306178 881319604 /nfs/dbraw/zinc/31/96/04/881319604.db2.gz FPVAIDUPFLSXKD-SJORKVTESA-N 2 1 314.433 1.609 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc3ccc(C#N)cc3[nH]1)C2 ZINC001277456868 884511447 /nfs/dbraw/zinc/51/14/47/884511447.db2.gz IQANZZUUXLXJQR-UHFFFAOYSA-N 2 1 323.444 1.719 20 30 DDEDMP C=C(C)C[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835829 884940048 /nfs/dbraw/zinc/94/00/48/884940048.db2.gz XXFVGGVWGZKOJF-UHFFFAOYSA-N 2 1 318.465 1.918 20 30 DDEDMP Cn1c[nH+]cc1N1CC2(C1)CC[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001277765964 886807103 /nfs/dbraw/zinc/80/71/03/886807103.db2.gz YRQGXPNHUOAILN-UHFFFAOYSA-N 2 1 310.405 1.343 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234346614 887890363 /nfs/dbraw/zinc/89/03/63/887890363.db2.gz ZMMGLLTZHLNOEM-IAGOWNOFSA-N 2 1 321.465 1.064 20 30 DDEDMP N#CCCC[N@@H+]1CC[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001277941972 888603841 /nfs/dbraw/zinc/60/38/41/888603841.db2.gz YDYZKGXMPGTOLE-YESZJQIVSA-N 2 1 316.449 1.307 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@H](Oc3ccc(C)cc3)C[C@H]2C1 ZINC001235661358 888857847 /nfs/dbraw/zinc/85/78/47/888857847.db2.gz MFZCKSKGEOTYIZ-PKOBYXMFSA-N 2 1 315.461 1.908 20 30 DDEDMP C[C@H](O)C[NH+]1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001277961476 888875672 /nfs/dbraw/zinc/87/56/72/888875672.db2.gz YHBVXJNEVKOQAP-AWEZNQCLSA-N 2 1 302.422 1.175 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001246305456 892529139 /nfs/dbraw/zinc/52/91/39/892529139.db2.gz HROPSDYACDCJFM-NHIYQJMISA-N 2 1 308.422 1.561 20 30 DDEDMP C=CCOC(=O)N1CCC2(C[NH+]([C@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC001246530691 892680161 /nfs/dbraw/zinc/68/01/61/892680161.db2.gz AIAZEMQNEWPQLW-CABCVRRESA-N 2 1 307.438 1.847 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001366206289 892736336 /nfs/dbraw/zinc/73/63/36/892736336.db2.gz LZZICOCCTJBXGH-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001366304497 893101349 /nfs/dbraw/zinc/10/13/49/893101349.db2.gz YRDQLGYHULXCAF-VXGBXAGGSA-N 2 1 318.259 1.474 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCN2CCOCC2)[C@@H]1C ZINC001278520262 894051859 /nfs/dbraw/zinc/05/18/59/894051859.db2.gz DAYHIWZDKZEKPJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001278520262 894051896 /nfs/dbraw/zinc/05/18/96/894051896.db2.gz DAYHIWZDKZEKPJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001252494617 895212804 /nfs/dbraw/zinc/21/28/04/895212804.db2.gz ZXBXVJHUSYLYRM-LJQANCHMSA-N 2 1 318.461 1.847 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001367015461 895580657 /nfs/dbraw/zinc/58/06/57/895580657.db2.gz GJVGGHKPZBEOMT-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001278690107 895594907 /nfs/dbraw/zinc/59/49/07/895594907.db2.gz NXMSXOREWBIUFZ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001278828200 896667480 /nfs/dbraw/zinc/66/74/80/896667480.db2.gz LWJGSPXEICEPPP-SFHVURJKSA-N 2 1 317.433 1.101 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC001368034044 898545826 /nfs/dbraw/zinc/54/58/26/898545826.db2.gz NGPHVKGCWJZMMJ-UHFFFAOYSA-N 2 1 323.400 1.502 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001265563864 902136496 /nfs/dbraw/zinc/13/64/96/902136496.db2.gz UYBOUYKVXNIKRT-GASCZTMLSA-N 2 1 309.373 1.141 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266008673 902746231 /nfs/dbraw/zinc/74/62/31/902746231.db2.gz GZWOLDOKAREHDS-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001279582525 903333885 /nfs/dbraw/zinc/33/38/85/903333885.db2.gz QQGVQXNVXXSMQR-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001279582525 903333898 /nfs/dbraw/zinc/33/38/98/903333898.db2.gz QQGVQXNVXXSMQR-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001279582525 903333911 /nfs/dbraw/zinc/33/39/11/903333911.db2.gz QQGVQXNVXXSMQR-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001370768855 903711173 /nfs/dbraw/zinc/71/11/73/903711173.db2.gz DAOUNZXDSAKLDZ-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001370768855 903711186 /nfs/dbraw/zinc/71/11/86/903711186.db2.gz DAOUNZXDSAKLDZ-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001281942226 905339376 /nfs/dbraw/zinc/33/93/76/905339376.db2.gz ORUMTMYFMWKXBW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC(C)C ZINC001281942226 905339398 /nfs/dbraw/zinc/33/93/98/905339398.db2.gz ORUMTMYFMWKXBW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC(C)C ZINC001281942226 905339416 /nfs/dbraw/zinc/33/94/16/905339416.db2.gz ORUMTMYFMWKXBW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC(C)C ZINC001281942226 905339430 /nfs/dbraw/zinc/33/94/30/905339430.db2.gz ORUMTMYFMWKXBW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=C)C)CC1 ZINC001281966578 905370757 /nfs/dbraw/zinc/37/07/57/905370757.db2.gz AFNYNNMOVOZKME-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001282460570 905801416 /nfs/dbraw/zinc/80/14/16/905801416.db2.gz FALLUPAXKCGOQN-MRXNPFEDSA-N 2 1 315.461 1.864 20 30 DDEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001282477779 905819612 /nfs/dbraw/zinc/81/96/12/905819612.db2.gz MKQFVUSIGPAXNM-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP COCC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282663870 905931753 /nfs/dbraw/zinc/93/17/53/905931753.db2.gz YEKFGXIMRCVUDW-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001282663870 905931771 /nfs/dbraw/zinc/93/17/71/905931771.db2.gz YEKFGXIMRCVUDW-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001282663870 905931788 /nfs/dbraw/zinc/93/17/88/905931788.db2.gz YEKFGXIMRCVUDW-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001283307166 907097484 /nfs/dbraw/zinc/09/74/84/907097484.db2.gz KWWIOURIRNXTKV-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001283307166 907097503 /nfs/dbraw/zinc/09/75/03/907097503.db2.gz KWWIOURIRNXTKV-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001283307166 907097521 /nfs/dbraw/zinc/09/75/21/907097521.db2.gz KWWIOURIRNXTKV-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001284293619 908785483 /nfs/dbraw/zinc/78/54/83/908785483.db2.gz SDHPJGHMJXSSSC-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001284790295 909498774 /nfs/dbraw/zinc/49/87/74/909498774.db2.gz RAGVYLAYRCORLJ-FHERZECASA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001284876193 909615301 /nfs/dbraw/zinc/61/53/01/909615301.db2.gz PCNCNVYMLFHQDR-HNNXBMFYSA-N 2 1 320.437 1.005 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000277145271 213324857 /nfs/dbraw/zinc/32/48/57/213324857.db2.gz JINPOKLMYUJKQD-IAGOWNOFSA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000277145271 213324859 /nfs/dbraw/zinc/32/48/59/213324859.db2.gz JINPOKLMYUJKQD-IAGOWNOFSA-N 2 1 317.433 1.714 20 30 DDEDMP Cc1nc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589863352 355027773 /nfs/dbraw/zinc/02/77/73/355027773.db2.gz VOTMTHMXZGYGDU-QGZVFWFLSA-N 2 1 313.449 1.866 20 30 DDEDMP Cc1nc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589863352 355027774 /nfs/dbraw/zinc/02/77/74/355027774.db2.gz VOTMTHMXZGYGDU-QGZVFWFLSA-N 2 1 313.449 1.866 20 30 DDEDMP N#Cc1sccc1N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000595903346 356698746 /nfs/dbraw/zinc/69/87/46/356698746.db2.gz PEDAIUVRJQBGHF-CYBMUJFWSA-N 2 1 318.446 1.263 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000596692704 356953985 /nfs/dbraw/zinc/95/39/85/356953985.db2.gz LNCZCJZHVRXOGV-RDJZCZTQSA-N 2 1 323.485 1.594 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000596692704 356953988 /nfs/dbraw/zinc/95/39/88/356953988.db2.gz LNCZCJZHVRXOGV-RDJZCZTQSA-N 2 1 323.485 1.594 20 30 DDEDMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598609575 357652728 /nfs/dbraw/zinc/65/27/28/357652728.db2.gz AOKNZVXUUUCPSD-AWEZNQCLSA-N 2 1 318.421 1.513 20 30 DDEDMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602525002 359026577 /nfs/dbraw/zinc/02/65/77/359026577.db2.gz PQLKYPGQPUFTCH-WBVHZDCISA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602525002 359026585 /nfs/dbraw/zinc/02/65/85/359026585.db2.gz PQLKYPGQPUFTCH-WBVHZDCISA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@@H](c1cccc(C#N)c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603234104 359503391 /nfs/dbraw/zinc/50/33/91/359503391.db2.gz KWILNGRGJRHDAM-AWEZNQCLSA-N 2 1 324.432 1.725 20 30 DDEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@@H](C)C1 ZINC000610812870 360542935 /nfs/dbraw/zinc/54/29/35/360542935.db2.gz NNOFOEDOJUSCTC-FUHWJXTLSA-N 2 1 322.497 1.701 20 30 DDEDMP Cc1[nH+]ccn1CCCNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000330422274 223114391 /nfs/dbraw/zinc/11/43/91/223114391.db2.gz DPKUTIAOLBBKND-UHFFFAOYSA-N 2 1 307.442 1.958 20 30 DDEDMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424159767 532989779 /nfs/dbraw/zinc/98/97/79/532989779.db2.gz AJWUVZNRBYPAJZ-GJZGRUSLSA-N 2 1 316.405 1.189 20 30 DDEDMP COC[C@]1(C)CC[N@@H+](CC#CC[NH+]2CC[C@](C)(COC)C2)C1 ZINC000451205401 533226220 /nfs/dbraw/zinc/22/62/20/533226220.db2.gz YCGYVVOFDOTAPD-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP COC[C@]1(C)CC[NH+](CC#CC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000451205401 533226222 /nfs/dbraw/zinc/22/62/22/533226222.db2.gz YCGYVVOFDOTAPD-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP COC[C@]1(C)CC[NH+](CC#CC[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000451205401 533226225 /nfs/dbraw/zinc/22/62/25/533226225.db2.gz YCGYVVOFDOTAPD-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000114198729 407552756 /nfs/dbraw/zinc/55/27/56/407552756.db2.gz XILYHPYWJGPBTH-OAHLLOKOSA-N 2 1 300.406 1.770 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N(C)C3CC3)c2)CCO1 ZINC000273364752 408167921 /nfs/dbraw/zinc/16/79/21/408167921.db2.gz UEFKKGFKRIHLTO-CQSZACIVSA-N 2 1 316.449 1.816 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N(C)C3CC3)c2)CCO1 ZINC000273364752 408167929 /nfs/dbraw/zinc/16/79/29/408167929.db2.gz UEFKKGFKRIHLTO-CQSZACIVSA-N 2 1 316.449 1.816 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1nc(C)cs1 ZINC000273551224 408244171 /nfs/dbraw/zinc/24/41/71/408244171.db2.gz YWUUUMAXWJYCRJ-WCQYABFASA-N 2 1 309.483 1.944 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000247482809 408479436 /nfs/dbraw/zinc/47/94/36/408479436.db2.gz SWMHMLXRDRKCTE-DOTOQJQBSA-N 2 1 305.466 1.520 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290748717 409505906 /nfs/dbraw/zinc/50/59/06/409505906.db2.gz XYORADPIOGRIAD-QGZVFWFLSA-N 2 1 318.465 1.839 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000350262480 409939035 /nfs/dbraw/zinc/93/90/35/409939035.db2.gz ZTGIWIOSFRZGEW-JKSUJKDBSA-N 2 1 324.469 1.180 20 30 DDEDMP CNC(=O)[C@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1c1cnn(C)c1 ZINC000329113937 410110190 /nfs/dbraw/zinc/11/01/90/410110190.db2.gz HNOJBRDZRPPMFW-XHSDSOJGSA-N 2 1 319.453 1.506 20 30 DDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000344220969 411036761 /nfs/dbraw/zinc/03/67/61/411036761.db2.gz PRLBWUKAKKOATN-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CCN(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000192219652 222122779 /nfs/dbraw/zinc/12/27/79/222122779.db2.gz JQYPZYPOMHEULM-UHFFFAOYSA-N 2 1 313.445 1.594 20 30 DDEDMP C[NH+]=C(NCC1CCSCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261985920 222266110 /nfs/dbraw/zinc/26/61/10/222266110.db2.gz QEIXENGWUHUIEC-IUODEOHRSA-N 2 1 310.511 1.777 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOc2ccccc21 ZINC000262521644 222284886 /nfs/dbraw/zinc/28/48/86/222284886.db2.gz IOWQWAUDCDFUSD-LSDHHAIUSA-N 2 1 316.449 1.941 20 30 DDEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCSCC1 ZINC000263243288 222306809 /nfs/dbraw/zinc/30/68/09/222306809.db2.gz LZJOVGIYHKCUOK-CYBMUJFWSA-N 2 1 308.451 1.780 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(OC)cc1 ZINC000264074561 222314384 /nfs/dbraw/zinc/31/43/84/222314384.db2.gz FGKUUALFOTVSPL-GDBMZVCRSA-N 2 1 320.437 1.117 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccco1)N(C)C ZINC000264106060 222318231 /nfs/dbraw/zinc/31/82/31/222318231.db2.gz NSQVGACEZQPTRS-KGLIPLIRSA-N 2 1 307.442 1.271 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000264106101 222318793 /nfs/dbraw/zinc/31/87/93/222318793.db2.gz NWWAQYXXTQBDEI-OKILXGFUSA-N 2 1 320.437 1.921 20 30 DDEDMP Cn1cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1C#N ZINC000367719896 418626365 /nfs/dbraw/zinc/62/63/65/418626365.db2.gz JSKJRJWNGROREX-MRXNPFEDSA-N 2 1 315.465 1.356 20 30 DDEDMP Cn1cc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1C#N ZINC000367719896 418626367 /nfs/dbraw/zinc/62/63/67/418626367.db2.gz JSKJRJWNGROREX-MRXNPFEDSA-N 2 1 315.465 1.356 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454549849 420880164 /nfs/dbraw/zinc/88/01/64/420880164.db2.gz QPCTUEYUJWFBQP-UHFFFAOYSA-N 2 1 308.470 1.810 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCCC#N)CC2)CC1 ZINC000565183031 421596165 /nfs/dbraw/zinc/59/61/65/421596165.db2.gz VITAPBZDHVJQSY-UHFFFAOYSA-N 2 1 320.481 1.993 20 30 DDEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)CCC#N)C2)CC1 ZINC000569931991 421629054 /nfs/dbraw/zinc/62/90/54/421629054.db2.gz RXPKDTISBOUDMJ-FUHWJXTLSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)CCC#N)C2)CC1 ZINC000569931991 421629056 /nfs/dbraw/zinc/62/90/56/421629056.db2.gz RXPKDTISBOUDMJ-FUHWJXTLSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)CCC#N)C2)CC1 ZINC000569931991 421629058 /nfs/dbraw/zinc/62/90/58/421629058.db2.gz RXPKDTISBOUDMJ-FUHWJXTLSA-N 2 1 320.481 1.945 20 30 DDEDMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)CCC#N)C2)CC1 ZINC000569931991 421629061 /nfs/dbraw/zinc/62/90/61/421629061.db2.gz RXPKDTISBOUDMJ-FUHWJXTLSA-N 2 1 320.481 1.945 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C#N)C3CC3)CC2)CC1 ZINC000518996985 421675305 /nfs/dbraw/zinc/67/53/05/421675305.db2.gz JXKHIUOALIGASB-KRWDZBQOSA-N 2 1 318.465 1.601 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000583930256 422220496 /nfs/dbraw/zinc/22/04/96/422220496.db2.gz VXVBSHNDVNAUHS-HYVNUMGLSA-N 2 1 317.433 1.565 20 30 DDEDMP C=CCCn1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)nn1 ZINC000657347695 424296749 /nfs/dbraw/zinc/29/67/49/424296749.db2.gz FDGWXBLKZIJKTE-UHFFFAOYSA-N 2 1 320.485 1.217 20 30 DDEDMP Cn1cc(C#N)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000530714759 268125524 /nfs/dbraw/zinc/12/55/24/268125524.db2.gz RXWOETHQQJODGB-UHFFFAOYSA-N 2 1 324.388 1.296 20 30 DDEDMP C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)[NH+]1CCSCC1 ZINC000151737734 332609740 /nfs/dbraw/zinc/60/97/40/332609740.db2.gz DPDKMEYELUSONW-AWEZNQCLSA-N 2 1 312.483 1.118 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000491727093 526829185 /nfs/dbraw/zinc/82/91/85/526829185.db2.gz KSUPXNCCIVJDFJ-KBPBESRZSA-N 2 1 316.392 1.898 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000491727093 526829188 /nfs/dbraw/zinc/82/91/88/526829188.db2.gz KSUPXNCCIVJDFJ-KBPBESRZSA-N 2 1 316.392 1.898 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000491119102 526986423 /nfs/dbraw/zinc/98/64/23/526986423.db2.gz HCKFWKBXYHNJBX-FUHWJXTLSA-N 2 1 313.445 1.626 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491352177 526987542 /nfs/dbraw/zinc/98/75/42/526987542.db2.gz YAVTYBAIDCTPEM-WMZOPIPTSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491352177 526987548 /nfs/dbraw/zinc/98/75/48/526987548.db2.gz YAVTYBAIDCTPEM-WMZOPIPTSA-N 2 1 313.445 1.769 20 30 DDEDMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424131763 528337431 /nfs/dbraw/zinc/33/74/31/528337431.db2.gz JSIHDWDJYCGGLC-INIZCTEOSA-N 2 1 308.470 1.978 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978145367 696330874 /nfs/dbraw/zinc/33/08/74/696330874.db2.gz LOWHMCUVYVZGFH-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978145367 696330876 /nfs/dbraw/zinc/33/08/76/696330876.db2.gz LOWHMCUVYVZGFH-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978145367 696330879 /nfs/dbraw/zinc/33/08/79/696330879.db2.gz LOWHMCUVYVZGFH-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978644136 696432156 /nfs/dbraw/zinc/43/21/56/696432156.db2.gz TWZAGJDZCRHUKP-QKDCVEJESA-N 2 1 303.406 1.435 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]2C1 ZINC000978739634 696450135 /nfs/dbraw/zinc/45/01/35/696450135.db2.gz DDFYDXVWBMVFSQ-RYPNDVFKSA-N 2 1 300.406 1.004 20 30 DDEDMP C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132193855 696812604 /nfs/dbraw/zinc/81/26/04/696812604.db2.gz ZFKLQIHNIDEFML-SMDDNHRTSA-N 2 1 319.453 1.624 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981810652 696925766 /nfs/dbraw/zinc/92/57/66/696925766.db2.gz WPGOKXTYTIQLDK-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981810652 696925769 /nfs/dbraw/zinc/92/57/69/696925769.db2.gz WPGOKXTYTIQLDK-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981810652 696925773 /nfs/dbraw/zinc/92/57/73/696925773.db2.gz WPGOKXTYTIQLDK-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CCC)C2 ZINC000981819091 696930044 /nfs/dbraw/zinc/93/00/44/696930044.db2.gz NJAJOIAHCNZIKF-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CCC)C2 ZINC000981819091 696930047 /nfs/dbraw/zinc/93/00/47/696930047.db2.gz NJAJOIAHCNZIKF-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCC)C2 ZINC000981819091 696930050 /nfs/dbraw/zinc/93/00/50/696930050.db2.gz NJAJOIAHCNZIKF-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CCC)C2 ZINC000981819091 696930052 /nfs/dbraw/zinc/93/00/52/696930052.db2.gz NJAJOIAHCNZIKF-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982115840 697034134 /nfs/dbraw/zinc/03/41/34/697034134.db2.gz CVSWCJQSMMBDNQ-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982119892 697035427 /nfs/dbraw/zinc/03/54/27/697035427.db2.gz KHUZYYFQULVEOL-UHFFFAOYSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@]2(C)C1 ZINC000982279902 697082127 /nfs/dbraw/zinc/08/21/27/697082127.db2.gz LXKJUUDDFFVQPD-YTQUADARSA-N 2 1 315.461 1.132 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553096 697149087 /nfs/dbraw/zinc/14/90/87/697149087.db2.gz HJLMFGYUUKQUON-PBWTXFEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553096 697149088 /nfs/dbraw/zinc/14/90/88/697149088.db2.gz HJLMFGYUUKQUON-PBWTXFEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553096 697149090 /nfs/dbraw/zinc/14/90/90/697149090.db2.gz HJLMFGYUUKQUON-PBWTXFEYSA-N 2 1 319.493 1.931 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557579 697150046 /nfs/dbraw/zinc/15/00/46/697150046.db2.gz RHERPKVDWVQZLA-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557579 697150047 /nfs/dbraw/zinc/15/00/47/697150047.db2.gz RHERPKVDWVQZLA-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982557579 697150048 /nfs/dbraw/zinc/15/00/48/697150048.db2.gz RHERPKVDWVQZLA-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])NCCc2ccccc2)C1 ZINC000170907934 697351792 /nfs/dbraw/zinc/35/17/92/697351792.db2.gz NZHKLCFEKCKNCJ-QGZVFWFLSA-N 2 1 318.465 1.490 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000985768828 697570459 /nfs/dbraw/zinc/57/04/59/697570459.db2.gz CJXISXDEOAUYTL-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000985768828 697570462 /nfs/dbraw/zinc/57/04/62/697570462.db2.gz CJXISXDEOAUYTL-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000985768828 697570465 /nfs/dbraw/zinc/57/04/65/697570465.db2.gz CJXISXDEOAUYTL-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000986567627 697840947 /nfs/dbraw/zinc/84/09/47/697840947.db2.gz CDUGQPRTDVKJNX-KBPBESRZSA-N 2 1 302.422 1.527 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989192581 698553523 /nfs/dbraw/zinc/55/35/23/698553523.db2.gz FNHQQRSKOJEGGM-UONOGXRCSA-N 2 1 302.422 1.527 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000303875247 698608341 /nfs/dbraw/zinc/60/83/41/698608341.db2.gz HNFKGQDBDKVBRG-HZPDHXFCSA-N 2 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303875247 698608346 /nfs/dbraw/zinc/60/83/46/698608346.db2.gz HNFKGQDBDKVBRG-HZPDHXFCSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000303875247 698608350 /nfs/dbraw/zinc/60/83/50/698608350.db2.gz HNFKGQDBDKVBRG-HZPDHXFCSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)cc1F ZINC000304750805 698624199 /nfs/dbraw/zinc/62/41/99/698624199.db2.gz IRYYXGAZIPHVCK-AWEZNQCLSA-N 2 1 310.392 1.896 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1sc(C)nc1C ZINC000304751230 698624239 /nfs/dbraw/zinc/62/42/39/698624239.db2.gz IZWCEIXTHZVJCS-ZDUSSCGKSA-N 2 1 309.483 1.691 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750862375 700251190 /nfs/dbraw/zinc/25/11/90/700251190.db2.gz QBADSPDHHXIGQP-ABHNRTSZSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000750862375 700251193 /nfs/dbraw/zinc/25/11/93/700251193.db2.gz QBADSPDHHXIGQP-ABHNRTSZSA-N 2 1 317.477 1.997 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000398144938 699118954 /nfs/dbraw/zinc/11/89/54/699118954.db2.gz NQBLYVGNZDOXLZ-WBVHZDCISA-N 2 1 314.433 1.516 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000398144938 699118955 /nfs/dbraw/zinc/11/89/55/699118955.db2.gz NQBLYVGNZDOXLZ-WBVHZDCISA-N 2 1 314.433 1.516 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000764521317 700974988 /nfs/dbraw/zinc/97/49/88/700974988.db2.gz FDNKNIIKXXAIBD-ZBFHGGJFSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000846593617 703300931 /nfs/dbraw/zinc/30/09/31/703300931.db2.gz QDEOXCHTURRARN-SFHVURJKSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876709250 705831157 /nfs/dbraw/zinc/83/11/57/705831157.db2.gz NCVHIUPQNQDHKD-LSDHHAIUSA-N 2 1 307.825 1.847 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876724172 705840549 /nfs/dbraw/zinc/84/05/49/705840549.db2.gz PKGYAMHHQIDRBP-SCRDCRAPSA-N 2 1 301.862 1.941 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000876764565 705864729 /nfs/dbraw/zinc/86/47/29/705864729.db2.gz PCPPENXJVOGWEN-BFHYXJOUSA-N 2 1 315.845 1.216 20 30 DDEDMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000877916301 706240623 /nfs/dbraw/zinc/24/06/23/706240623.db2.gz AAFUZVQJTLDBAB-UHFFFAOYSA-N 2 1 300.406 1.200 20 30 DDEDMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000877916301 706240624 /nfs/dbraw/zinc/24/06/24/706240624.db2.gz AAFUZVQJTLDBAB-UHFFFAOYSA-N 2 1 300.406 1.200 20 30 DDEDMP C=CC[C@H](C(=O)OC)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000878321225 706358512 /nfs/dbraw/zinc/35/85/12/706358512.db2.gz DQDSSXTVCKMBDG-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCO1 ZINC000883185749 707950274 /nfs/dbraw/zinc/95/02/74/707950274.db2.gz DHWRRFVPXJAHMI-ULQDDVLXSA-N 2 1 323.481 1.677 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000884200624 708186126 /nfs/dbraw/zinc/18/61/26/708186126.db2.gz GZADGLWOGKSSGP-JKSUJKDBSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000884200624 708186129 /nfs/dbraw/zinc/18/61/29/708186129.db2.gz GZADGLWOGKSSGP-JKSUJKDBSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000884200624 708186131 /nfs/dbraw/zinc/18/61/31/708186131.db2.gz GZADGLWOGKSSGP-JKSUJKDBSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000884200624 708186133 /nfs/dbraw/zinc/18/61/33/708186133.db2.gz GZADGLWOGKSSGP-JKSUJKDBSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000884200622 708186267 /nfs/dbraw/zinc/18/62/67/708186267.db2.gz GZADGLWOGKSSGP-HOTGVXAUSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000884200622 708186268 /nfs/dbraw/zinc/18/62/68/708186268.db2.gz GZADGLWOGKSSGP-HOTGVXAUSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000884200622 708186269 /nfs/dbraw/zinc/18/62/69/708186269.db2.gz GZADGLWOGKSSGP-HOTGVXAUSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000884200622 708186270 /nfs/dbraw/zinc/18/62/70/708186270.db2.gz GZADGLWOGKSSGP-HOTGVXAUSA-N 2 1 306.454 1.114 20 30 DDEDMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884228947 708200847 /nfs/dbraw/zinc/20/08/47/708200847.db2.gz CZHSBKOKJRZVKI-UERKLNTKSA-N 2 1 318.465 1.316 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000884399417 708280934 /nfs/dbraw/zinc/28/09/34/708280934.db2.gz DOEJJCJNVRYKDT-INIZCTEOSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000884399417 708280935 /nfs/dbraw/zinc/28/09/35/708280935.db2.gz DOEJJCJNVRYKDT-INIZCTEOSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CCSCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000888379051 709292735 /nfs/dbraw/zinc/29/27/35/709292735.db2.gz IXMKTTZGUZWHAA-UHFFFAOYSA-N 2 1 304.419 1.138 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)C(C)C ZINC000900691227 709713815 /nfs/dbraw/zinc/71/38/15/709713815.db2.gz XFSQLBIJIDXXJI-JZXOWHBKSA-N 2 1 323.481 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CCC)[C@H]2CC[N@H+](C)C2)C1 ZINC000890363422 709835578 /nfs/dbraw/zinc/83/55/78/709835578.db2.gz OIKUPIDJMMMHKE-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)C1 ZINC000890363422 709835582 /nfs/dbraw/zinc/83/55/82/709835582.db2.gz OIKUPIDJMMMHKE-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCC)[C@H]2CC[NH+](C)C2)C1 ZINC000890363422 709835584 /nfs/dbraw/zinc/83/55/84/709835584.db2.gz OIKUPIDJMMMHKE-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCC)[C@H]2CC[NH+](C)C2)C1 ZINC000890363422 709835589 /nfs/dbraw/zinc/83/55/89/709835589.db2.gz OIKUPIDJMMMHKE-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000964006298 717963945 /nfs/dbraw/zinc/96/39/45/717963945.db2.gz PQYLWVGUBZMKLQ-UHFFFAOYSA-N 2 1 316.449 1.999 20 30 DDEDMP CC[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H]1CCC[NH2+]CC1 ZINC000923336071 714319488 /nfs/dbraw/zinc/31/94/88/714319488.db2.gz PVCIMTBEQPGWFA-IRXDYDNUSA-N 2 1 317.433 1.762 20 30 DDEDMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000923413729 714347942 /nfs/dbraw/zinc/34/79/42/714347942.db2.gz HKEUYKWQGFMPNB-HNNXBMFYSA-N 2 1 303.406 1.372 20 30 DDEDMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000923413729 714347944 /nfs/dbraw/zinc/34/79/44/714347944.db2.gz HKEUYKWQGFMPNB-HNNXBMFYSA-N 2 1 303.406 1.372 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000923424566 714351559 /nfs/dbraw/zinc/35/15/59/714351559.db2.gz GHBULBWTUKATFP-HZSPNIEDSA-N 2 1 313.323 1.661 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000923424566 714351560 /nfs/dbraw/zinc/35/15/60/714351560.db2.gz GHBULBWTUKATFP-HZSPNIEDSA-N 2 1 313.323 1.661 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000923566845 714408303 /nfs/dbraw/zinc/40/83/03/714408303.db2.gz TVFGQIBBSBDFOG-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000923566845 714408304 /nfs/dbraw/zinc/40/83/04/714408304.db2.gz TVFGQIBBSBDFOG-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957633821 715978333 /nfs/dbraw/zinc/97/83/33/715978333.db2.gz PPURSCQVCUPGFK-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+]1CCC2 ZINC000960775486 716685566 /nfs/dbraw/zinc/68/55/66/716685566.db2.gz PNVDDSCHGCPXEC-ZSHCYNCHSA-N 2 1 303.450 1.627 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756881 716946588 /nfs/dbraw/zinc/94/65/88/716946588.db2.gz LTYKBQQNPTYRPA-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756881 716946589 /nfs/dbraw/zinc/94/65/89/716946589.db2.gz LTYKBQQNPTYRPA-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940756881 716946591 /nfs/dbraw/zinc/94/65/91/716946591.db2.gz LTYKBQQNPTYRPA-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942051904 717451898 /nfs/dbraw/zinc/45/18/98/717451898.db2.gz BIWMTWKVYHSUEN-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000963420673 717782986 /nfs/dbraw/zinc/78/29/86/717782986.db2.gz LMYPDNUJEMOHDD-GPANFISMSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942822690 717878961 /nfs/dbraw/zinc/87/89/61/717878961.db2.gz NGXFMXIFDQWOEP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942822690 717878967 /nfs/dbraw/zinc/87/89/67/717878967.db2.gz NGXFMXIFDQWOEP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942822690 717878971 /nfs/dbraw/zinc/87/89/71/717878971.db2.gz NGXFMXIFDQWOEP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000943517012 718135403 /nfs/dbraw/zinc/13/54/03/718135403.db2.gz NKZNNNDDZHNWLO-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946598055 718847826 /nfs/dbraw/zinc/84/78/26/718847826.db2.gz VYCDZJJNRMQLQG-XWTMOSNGSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946598055 718847831 /nfs/dbraw/zinc/84/78/31/718847831.db2.gz VYCDZJJNRMQLQG-XWTMOSNGSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC[C@@H]2C1 ZINC000946598055 718847835 /nfs/dbraw/zinc/84/78/35/718847835.db2.gz VYCDZJJNRMQLQG-XWTMOSNGSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662734 718869559 /nfs/dbraw/zinc/86/95/59/718869559.db2.gz LQHQNYFNWAJASR-CALCHBBNSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779162 718906338 /nfs/dbraw/zinc/90/63/38/718906338.db2.gz IFKAQZBEDCGZBE-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779162 718906341 /nfs/dbraw/zinc/90/63/41/718906341.db2.gz IFKAQZBEDCGZBE-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779162 718906343 /nfs/dbraw/zinc/90/63/43/718906343.db2.gz IFKAQZBEDCGZBE-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947472613 719177100 /nfs/dbraw/zinc/17/71/00/719177100.db2.gz HXSMAOUHZRARSD-UONOGXRCSA-N 2 1 320.437 1.895 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947472613 719177103 /nfs/dbraw/zinc/17/71/03/719177103.db2.gz HXSMAOUHZRARSD-UONOGXRCSA-N 2 1 320.437 1.895 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947505894 719191115 /nfs/dbraw/zinc/19/11/15/719191115.db2.gz GJGLWMQKXQRNGE-ZBFHGGJFSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857484 719291218 /nfs/dbraw/zinc/29/12/18/719291218.db2.gz LZMUFAPNFGUFOK-GOEBONIOSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857484 719291219 /nfs/dbraw/zinc/29/12/19/719291219.db2.gz LZMUFAPNFGUFOK-GOEBONIOSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948376725 719473331 /nfs/dbraw/zinc/47/33/31/719473331.db2.gz AXGQBBZUXWLQHN-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948770982 719698346 /nfs/dbraw/zinc/69/83/46/719698346.db2.gz LMBNSCWPRDHHNZ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948770982 719698349 /nfs/dbraw/zinc/69/83/49/719698349.db2.gz LMBNSCWPRDHHNZ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948770982 719698352 /nfs/dbraw/zinc/69/83/52/719698352.db2.gz LMBNSCWPRDHHNZ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC3CC3)CC[C@@H]2C)CC1 ZINC000968682611 719733864 /nfs/dbraw/zinc/73/38/64/719733864.db2.gz SQNDEVSXNFWRCF-YJBOKZPZSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000969361660 720085275 /nfs/dbraw/zinc/08/52/75/720085275.db2.gz IWQRSXSKIIBZRJ-CQSZACIVSA-N 2 1 302.422 1.529 20 30 DDEDMP C=CCN1CC([C@H](C)NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000969719243 720263359 /nfs/dbraw/zinc/26/33/59/720263359.db2.gz ZJTNNWHDFQMUMR-LRDDRELGSA-N 2 1 317.437 1.413 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829563 720313476 /nfs/dbraw/zinc/31/34/76/720313476.db2.gz CQJNIMKVZFAVOO-HOTGVXAUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326944 720712809 /nfs/dbraw/zinc/71/28/09/720712809.db2.gz YFYMFOZYENRNRJ-QAPCUYQASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326944 720712811 /nfs/dbraw/zinc/71/28/11/720712811.db2.gz YFYMFOZYENRNRJ-QAPCUYQASA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338043 720717917 /nfs/dbraw/zinc/71/79/17/720717917.db2.gz GQQRDDZEODZJKD-HIFRSBDPSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550336 735304897 /nfs/dbraw/zinc/30/48/97/735304897.db2.gz ZEUYLNQTAOBXCQ-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023550336 735304899 /nfs/dbraw/zinc/30/48/99/735304899.db2.gz ZEUYLNQTAOBXCQ-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001023550336 735304902 /nfs/dbraw/zinc/30/49/02/735304902.db2.gz ZEUYLNQTAOBXCQ-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001023557010 735310273 /nfs/dbraw/zinc/31/02/73/735310273.db2.gz RXPJJAWYVPHJFJ-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557010 735310275 /nfs/dbraw/zinc/31/02/75/735310275.db2.gz RXPJJAWYVPHJFJ-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557010 735310281 /nfs/dbraw/zinc/31/02/81/735310281.db2.gz RXPJJAWYVPHJFJ-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678294 735392036 /nfs/dbraw/zinc/39/20/36/735392036.db2.gz RVDQUFDCHGFHEC-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001027685883 738550267 /nfs/dbraw/zinc/55/02/67/738550267.db2.gz QNDJINFLHNTXHW-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001020587411 732536795 /nfs/dbraw/zinc/53/67/95/732536795.db2.gz FAMAOQPFGSXSGD-KKUMJFAQSA-N 2 1 302.422 1.567 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236292 732851858 /nfs/dbraw/zinc/85/18/58/732851858.db2.gz JLZJSEVJUIRZNA-JKSUJKDBSA-N 2 1 323.481 1.263 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021048219 732914896 /nfs/dbraw/zinc/91/48/96/732914896.db2.gz VOXZPACVSGAUIK-SRVKXCTJSA-N 2 1 316.243 1.084 20 30 DDEDMP CC#CC[NH+](CCO)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001098540563 733210933 /nfs/dbraw/zinc/21/09/33/733210933.db2.gz UCYFOKLVWULXII-UHFFFAOYSA-N 2 1 323.481 1.027 20 30 DDEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001098540563 733210937 /nfs/dbraw/zinc/21/09/37/733210937.db2.gz UCYFOKLVWULXII-UHFFFAOYSA-N 2 1 323.481 1.027 20 30 DDEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001098540563 733210941 /nfs/dbraw/zinc/21/09/41/733210941.db2.gz UCYFOKLVWULXII-UHFFFAOYSA-N 2 1 323.481 1.027 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621626 733376859 /nfs/dbraw/zinc/37/68/59/733376859.db2.gz CGEYWLCWXTWBSQ-FUHWJXTLSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700042 733462454 /nfs/dbraw/zinc/46/24/54/733462454.db2.gz MQINZVAFFHOJAB-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929072 738824093 /nfs/dbraw/zinc/82/40/93/738824093.db2.gz ATWAIBBFPUUIFK-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929072 738824096 /nfs/dbraw/zinc/82/40/96/738824096.db2.gz ATWAIBBFPUUIFK-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929072 738824101 /nfs/dbraw/zinc/82/41/01/738824101.db2.gz ATWAIBBFPUUIFK-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001023291446 735138109 /nfs/dbraw/zinc/13/81/09/735138109.db2.gz HDPXSPQIHHYCCY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001023291446 735138113 /nfs/dbraw/zinc/13/81/13/735138113.db2.gz HDPXSPQIHHYCCY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291446 735138115 /nfs/dbraw/zinc/13/81/15/735138115.db2.gz HDPXSPQIHHYCCY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001023291446 735138120 /nfs/dbraw/zinc/13/81/20/735138120.db2.gz HDPXSPQIHHYCCY-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023411287 735217581 /nfs/dbraw/zinc/21/75/81/735217581.db2.gz BULJYSQPKTZEAB-JKSUJKDBSA-N 2 1 314.433 1.612 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023411287 735217583 /nfs/dbraw/zinc/21/75/83/735217583.db2.gz BULJYSQPKTZEAB-JKSUJKDBSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413354 735218822 /nfs/dbraw/zinc/21/88/22/735218822.db2.gz DAQDXIRVQGCZAK-HZPDHXFCSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413354 735218828 /nfs/dbraw/zinc/21/88/28/735218828.db2.gz DAQDXIRVQGCZAK-HZPDHXFCSA-N 2 1 314.433 1.612 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024478120 735855842 /nfs/dbraw/zinc/85/58/42/735855842.db2.gz RLOREDCWKWDCQM-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024478120 735855845 /nfs/dbraw/zinc/85/58/45/735855845.db2.gz RLOREDCWKWDCQM-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001024478120 735855848 /nfs/dbraw/zinc/85/58/48/735855848.db2.gz RLOREDCWKWDCQM-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470284 736707655 /nfs/dbraw/zinc/70/76/55/736707655.db2.gz VSPJFHQSIAMXFA-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598732 736778557 /nfs/dbraw/zinc/77/85/57/736778557.db2.gz BMQRKBFESLLEGK-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC001025630598 736796877 /nfs/dbraw/zinc/79/68/77/736796877.db2.gz UOGCLVHEECFZBN-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001026313883 737339462 /nfs/dbraw/zinc/33/94/62/737339462.db2.gz RSNXGXZJWZEUGZ-HRCADAONSA-N 2 1 302.422 1.594 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332798 739365487 /nfs/dbraw/zinc/36/54/87/739365487.db2.gz DMBUGWHVYGAQCT-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001028333436 739366857 /nfs/dbraw/zinc/36/68/57/739366857.db2.gz LBPOULZWNLHOJT-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001028334171 739370204 /nfs/dbraw/zinc/37/02/04/739370204.db2.gz VVTISPBALMZQML-QGZVFWFLSA-N 2 1 313.445 1.966 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642067 739712357 /nfs/dbraw/zinc/71/23/57/739712357.db2.gz PIJOGSKURMZBRL-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1CC ZINC001087727073 740722881 /nfs/dbraw/zinc/72/28/81/740722881.db2.gz FAZMXBREDLITFO-HDMKZQKVSA-N 2 1 323.456 1.801 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168028965 740790863 /nfs/dbraw/zinc/79/08/63/740790863.db2.gz BACQRHWVBVSNPN-HOTGVXAUSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199691 741103513 /nfs/dbraw/zinc/10/35/13/741103513.db2.gz YZFOCQXJHYFPIY-ILXRZTDVSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199691 741103514 /nfs/dbraw/zinc/10/35/14/741103514.db2.gz YZFOCQXJHYFPIY-ILXRZTDVSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199691 741103515 /nfs/dbraw/zinc/10/35/15/741103515.db2.gz YZFOCQXJHYFPIY-ILXRZTDVSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199691 741103516 /nfs/dbraw/zinc/10/35/16/741103516.db2.gz YZFOCQXJHYFPIY-ILXRZTDVSA-N 2 1 311.857 1.471 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035569795 751623602 /nfs/dbraw/zinc/62/36/02/751623602.db2.gz PETLCINEJPHXAZ-KRWDZBQOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001035569795 751623609 /nfs/dbraw/zinc/62/36/09/751623609.db2.gz PETLCINEJPHXAZ-KRWDZBQOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368615 741437841 /nfs/dbraw/zinc/43/78/41/741437841.db2.gz OGLWNHISCOZUIO-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368615 741437844 /nfs/dbraw/zinc/43/78/44/741437844.db2.gz OGLWNHISCOZUIO-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075875861 741443596 /nfs/dbraw/zinc/44/35/96/741443596.db2.gz HRXBZRFFRVKOTQ-YESZJQIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075875861 741443598 /nfs/dbraw/zinc/44/35/98/741443598.db2.gz HRXBZRFFRVKOTQ-YESZJQIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075875861 741443601 /nfs/dbraw/zinc/44/36/01/741443601.db2.gz HRXBZRFFRVKOTQ-YESZJQIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752216 742286990 /nfs/dbraw/zinc/28/69/90/742286990.db2.gz BXBIGGTXXSUESE-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752216 742286993 /nfs/dbraw/zinc/28/69/93/742286993.db2.gz BXBIGGTXXSUESE-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001075967869 742289616 /nfs/dbraw/zinc/28/96/16/742289616.db2.gz VENSRUCTPBUALM-OWCLPIDISA-N 2 1 312.417 1.002 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035724862 751815770 /nfs/dbraw/zinc/81/57/70/751815770.db2.gz BBXGTWDPNGPORU-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184577694 744064611 /nfs/dbraw/zinc/06/46/11/744064611.db2.gz NHHXEYNCYMFZEZ-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184810308 744106035 /nfs/dbraw/zinc/10/60/35/744106035.db2.gz NFCAZCAHMVZWJX-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001186067524 744330841 /nfs/dbraw/zinc/33/08/41/744330841.db2.gz KKIAIXRWKOJLSG-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142124 744630438 /nfs/dbraw/zinc/63/04/38/744630438.db2.gz YHTJJKIVTVBBCU-LISAXSMJSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142124 744630439 /nfs/dbraw/zinc/63/04/39/744630439.db2.gz YHTJJKIVTVBBCU-LISAXSMJSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992142124 744630440 /nfs/dbraw/zinc/63/04/40/744630440.db2.gz YHTJJKIVTVBBCU-LISAXSMJSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188691290 744749168 /nfs/dbraw/zinc/74/91/68/744749168.db2.gz XESYLGYCGBLPMA-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126993 744831419 /nfs/dbraw/zinc/83/14/19/744831419.db2.gz PCKWMGXBPXXLPM-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126993 744831421 /nfs/dbraw/zinc/83/14/21/744831421.db2.gz PCKWMGXBPXXLPM-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189126993 744831422 /nfs/dbraw/zinc/83/14/22/744831422.db2.gz PCKWMGXBPXXLPM-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC=C)CC3)CC1 ZINC000992512905 744929321 /nfs/dbraw/zinc/92/93/21/744929321.db2.gz TZDYWHVESVWDGH-IEBWSBKVSA-N 2 1 315.461 1.631 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001190490895 745243108 /nfs/dbraw/zinc/24/31/08/745243108.db2.gz ACDKIKHDDCYDGH-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190490895 745243111 /nfs/dbraw/zinc/24/31/11/745243111.db2.gz ACDKIKHDDCYDGH-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001190490895 745243119 /nfs/dbraw/zinc/24/31/19/745243119.db2.gz ACDKIKHDDCYDGH-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@@H]21 ZINC000992849061 745246175 /nfs/dbraw/zinc/24/61/75/745246175.db2.gz DATDALDNTJKDKG-SOUVJXGZSA-N 2 1 314.433 1.537 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106348945 745620275 /nfs/dbraw/zinc/62/02/75/745620275.db2.gz AGIHPNRHBQIBLA-HZPDHXFCSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354440 745765052 /nfs/dbraw/zinc/76/50/52/745765052.db2.gz LSOJLARIEAUOJP-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354440 745765055 /nfs/dbraw/zinc/76/50/55/745765055.db2.gz LSOJLARIEAUOJP-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106666652 745885727 /nfs/dbraw/zinc/88/57/27/745885727.db2.gz PHJVSUJVNOOLPP-RKVPGOIHSA-N 2 1 323.456 1.516 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192845433 745913989 /nfs/dbraw/zinc/91/39/89/745913989.db2.gz IFHKUUICZVHMBF-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352898 746100012 /nfs/dbraw/zinc/10/00/12/746100012.db2.gz WQZPSGBLPPHHBQ-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352898 746100017 /nfs/dbraw/zinc/10/00/17/746100017.db2.gz WQZPSGBLPPHHBQ-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352898 746100021 /nfs/dbraw/zinc/10/00/21/746100021.db2.gz WQZPSGBLPPHHBQ-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352898 746100024 /nfs/dbraw/zinc/10/00/24/746100024.db2.gz WQZPSGBLPPHHBQ-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535292 746202128 /nfs/dbraw/zinc/20/21/28/746202128.db2.gz IUILWGOIHWEQNN-YOEHRIQHSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080568 746273898 /nfs/dbraw/zinc/27/38/98/746273898.db2.gz LBZQXFAALDHTHI-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227976 746313036 /nfs/dbraw/zinc/31/30/36/746313036.db2.gz OVDBJFXBRLEOJY-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)C)C2)CC1 ZINC001194245471 746319188 /nfs/dbraw/zinc/31/91/88/746319188.db2.gz AUVALWAAJOLYDR-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492755 747102979 /nfs/dbraw/zinc/10/29/79/747102979.db2.gz OCZJEYWORAQILS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492755 747102981 /nfs/dbraw/zinc/10/29/81/747102981.db2.gz OCZJEYWORAQILS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492755 747102983 /nfs/dbraw/zinc/10/29/83/747102983.db2.gz OCZJEYWORAQILS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCN1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001197793804 747265568 /nfs/dbraw/zinc/26/55/68/747265568.db2.gz BIROXKWGFIMGMI-GOSISDBHSA-N 2 1 313.445 1.847 20 30 DDEDMP C#CCN1CCCN(C(=O)[C@@H](c2ccccc2)N(C)CC)CC1 ZINC001197793804 747265572 /nfs/dbraw/zinc/26/55/72/747265572.db2.gz BIROXKWGFIMGMI-GOSISDBHSA-N 2 1 313.445 1.847 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031930902 748237392 /nfs/dbraw/zinc/23/73/92/748237392.db2.gz CQHFUBXWNDNWKY-INIZCTEOSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200851840 748359617 /nfs/dbraw/zinc/35/96/17/748359617.db2.gz RKKNGQHLALAIOI-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004455962 748448219 /nfs/dbraw/zinc/44/82/19/748448219.db2.gz CPZJWNCBEXYEGO-ZWKOTPCHSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001201818756 748608462 /nfs/dbraw/zinc/60/84/62/748608462.db2.gz SZMKXCMCQUBXKJ-UHFFFAOYSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033151084 748617972 /nfs/dbraw/zinc/61/79/72/748617972.db2.gz HYNUOVABMGVHOT-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033151084 748617977 /nfs/dbraw/zinc/61/79/77/748617977.db2.gz HYNUOVABMGVHOT-GJZGRUSLSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153515 748648092 /nfs/dbraw/zinc/64/80/92/748648092.db2.gz VVBYJKZBZSJGQR-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153515 748648095 /nfs/dbraw/zinc/64/80/95/748648095.db2.gz VVBYJKZBZSJGQR-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107038925 748801298 /nfs/dbraw/zinc/80/12/98/748801298.db2.gz GXBXVAULRDPQOS-TZMCWYRMSA-N 2 1 301.862 1.763 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033210264 748929868 /nfs/dbraw/zinc/92/98/68/748929868.db2.gz FNZVFCYBHOVUCB-HOTGVXAUSA-N 2 1 316.449 1.944 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256603 749062504 /nfs/dbraw/zinc/06/25/04/749062504.db2.gz YAKQBISESYWZAI-HNNXBMFYSA-N 2 1 311.389 1.600 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366948 749256585 /nfs/dbraw/zinc/25/65/85/749256585.db2.gz XQCCCKLEGQOVOO-OAHLLOKOSA-N 2 1 303.406 1.511 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366948 749256589 /nfs/dbraw/zinc/25/65/89/749256589.db2.gz XQCCCKLEGQOVOO-OAHLLOKOSA-N 2 1 303.406 1.511 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033417978 749317096 /nfs/dbraw/zinc/31/70/96/749317096.db2.gz YOLAVCFAOUOSOZ-GJZGRUSLSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033417978 749317100 /nfs/dbraw/zinc/31/71/00/749317100.db2.gz YOLAVCFAOUOSOZ-GJZGRUSLSA-N 2 1 302.422 1.473 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467376 749391757 /nfs/dbraw/zinc/39/17/57/749391757.db2.gz OAACEDSXYOIFNO-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467376 749391762 /nfs/dbraw/zinc/39/17/62/749391762.db2.gz OAACEDSXYOIFNO-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001005209004 749541712 /nfs/dbraw/zinc/54/17/12/749541712.db2.gz JDKJHTIDZWCKJI-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001005209004 749541715 /nfs/dbraw/zinc/54/17/15/749541715.db2.gz JDKJHTIDZWCKJI-INIZCTEOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577243 749553195 /nfs/dbraw/zinc/55/31/95/749553195.db2.gz ZJRJKEFVTHIARE-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577243 749553202 /nfs/dbraw/zinc/55/32/02/749553202.db2.gz ZJRJKEFVTHIARE-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577243 749553205 /nfs/dbraw/zinc/55/32/05/749553205.db2.gz ZJRJKEFVTHIARE-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033577243 749553212 /nfs/dbraw/zinc/55/32/12/749553212.db2.gz ZJRJKEFVTHIARE-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033577243 749553218 /nfs/dbraw/zinc/55/32/18/749553218.db2.gz ZJRJKEFVTHIARE-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001033684324 749712494 /nfs/dbraw/zinc/71/24/94/749712494.db2.gz MMQHPKAXUSAWRX-QGZVFWFLSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001033684316 749712582 /nfs/dbraw/zinc/71/25/82/749712582.db2.gz MDTNBRUHDKHQLP-KZJSRBBCSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001033684316 749712586 /nfs/dbraw/zinc/71/25/86/749712586.db2.gz MDTNBRUHDKHQLP-KZJSRBBCSA-N 2 1 323.868 1.617 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001202772981 749733884 /nfs/dbraw/zinc/73/38/84/749733884.db2.gz WAKKNADJKHZCGK-QGZVFWFLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107457463 749983340 /nfs/dbraw/zinc/98/33/40/749983340.db2.gz WPOKWDLPWJMLIC-CRAIPNDOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107457463 749983343 /nfs/dbraw/zinc/98/33/43/749983343.db2.gz WPOKWDLPWJMLIC-CRAIPNDOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107457463 749983347 /nfs/dbraw/zinc/98/33/47/749983347.db2.gz WPOKWDLPWJMLIC-CRAIPNDOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606055 750074321 /nfs/dbraw/zinc/07/43/21/750074321.db2.gz PUQKHKDDLHXOFD-IKGGRYGDSA-N 2 1 315.461 1.607 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606055 750074327 /nfs/dbraw/zinc/07/43/27/750074327.db2.gz PUQKHKDDLHXOFD-IKGGRYGDSA-N 2 1 315.461 1.607 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC(=C)C)C2)CC1 ZINC001034044718 750310157 /nfs/dbraw/zinc/31/01/57/750310157.db2.gz DXNPPRVVTBVWCN-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001034047113 750314632 /nfs/dbraw/zinc/31/46/32/750314632.db2.gz ZDXRINFVYBPNRT-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474631 762064698 /nfs/dbraw/zinc/06/46/98/762064698.db2.gz RXIBWQYIOKKXQY-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001039474631 762064707 /nfs/dbraw/zinc/06/47/07/762064707.db2.gz RXIBWQYIOKKXQY-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035193655 751293423 /nfs/dbraw/zinc/29/34/23/751293423.db2.gz KULKZJOLNOLCIC-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008276134 752648230 /nfs/dbraw/zinc/64/82/30/752648230.db2.gz KQIFFTUOGAMJCA-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008276134 752648233 /nfs/dbraw/zinc/64/82/33/752648233.db2.gz KQIFFTUOGAMJCA-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008276134 752648241 /nfs/dbraw/zinc/64/82/41/752648241.db2.gz KQIFFTUOGAMJCA-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533207 752785016 /nfs/dbraw/zinc/78/50/16/752785016.db2.gz KONBZINPWLSHAK-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533207 752785018 /nfs/dbraw/zinc/78/50/18/752785018.db2.gz KONBZINPWLSHAK-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999729504 753107719 /nfs/dbraw/zinc/10/77/19/753107719.db2.gz VTUSTUQPKAXLIO-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005890564 753316050 /nfs/dbraw/zinc/31/60/50/753316050.db2.gz HUDONDVZISMSIR-HNNXBMFYSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162322 753430843 /nfs/dbraw/zinc/43/08/43/753430843.db2.gz USDQKVCWEVBVDO-NVXWUHKLSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181276 753581532 /nfs/dbraw/zinc/58/15/32/753581532.db2.gz UNRYMXGVWFALIV-QGZVFWFLSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001000787292 753949145 /nfs/dbraw/zinc/94/91/45/753949145.db2.gz FDDLEDYWOPQVKA-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001000787292 753949150 /nfs/dbraw/zinc/94/91/50/753949150.db2.gz FDDLEDYWOPQVKA-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CCC2)CC1 ZINC001000787292 753949159 /nfs/dbraw/zinc/94/91/59/753949159.db2.gz FDDLEDYWOPQVKA-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CCC2)CC1 ZINC001000787292 753949164 /nfs/dbraw/zinc/94/91/64/753949164.db2.gz FDDLEDYWOPQVKA-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078680857 754297620 /nfs/dbraw/zinc/29/76/20/754297620.db2.gz UKRWCHYKVMMDCX-HUUCEWRRSA-N 2 1 302.422 1.785 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001038628379 755345496 /nfs/dbraw/zinc/34/54/96/755345496.db2.gz PWPAVUSHBBANHR-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038628379 755345501 /nfs/dbraw/zinc/34/55/01/755345501.db2.gz PWPAVUSHBBANHR-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038628379 755345507 /nfs/dbraw/zinc/34/55/07/755345507.db2.gz PWPAVUSHBBANHR-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001000950569 762402318 /nfs/dbraw/zinc/40/23/18/762402318.db2.gz OIKQQTCVYRXJQC-UHFFFAOYSA-N 2 1 308.385 1.720 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015326327 756242997 /nfs/dbraw/zinc/24/29/97/756242997.db2.gz YUADASNGNXLEOQ-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015326327 756242998 /nfs/dbraw/zinc/24/29/98/756242998.db2.gz YUADASNGNXLEOQ-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326327 756242999 /nfs/dbraw/zinc/24/29/99/756242999.db2.gz YUADASNGNXLEOQ-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799120 756483733 /nfs/dbraw/zinc/48/37/33/756483733.db2.gz DBTQKYRTWQSCSC-QLFBSQMISA-N 2 1 318.421 1.152 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](OC)C1 ZINC001081799120 756483736 /nfs/dbraw/zinc/48/37/36/756483736.db2.gz DBTQKYRTWQSCSC-QLFBSQMISA-N 2 1 318.421 1.152 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081883846 756507170 /nfs/dbraw/zinc/50/71/70/756507170.db2.gz YOHYQIJMSODLGH-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081883846 756507175 /nfs/dbraw/zinc/50/71/75/756507175.db2.gz YOHYQIJMSODLGH-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081883846 756507179 /nfs/dbraw/zinc/50/71/79/756507179.db2.gz YOHYQIJMSODLGH-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081883846 756507183 /nfs/dbraw/zinc/50/71/83/756507183.db2.gz YOHYQIJMSODLGH-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138090 756651251 /nfs/dbraw/zinc/65/12/51/756651251.db2.gz OIHZVFNSJUBLHY-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138090 756651254 /nfs/dbraw/zinc/65/12/54/756651254.db2.gz OIHZVFNSJUBLHY-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082138090 756651258 /nfs/dbraw/zinc/65/12/58/756651258.db2.gz OIHZVFNSJUBLHY-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396250 762523914 /nfs/dbraw/zinc/52/39/14/762523914.db2.gz UFHZTBCUCPHBOZ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396250 762523919 /nfs/dbraw/zinc/52/39/19/762523919.db2.gz UFHZTBCUCPHBOZ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396250 762523926 /nfs/dbraw/zinc/52/39/26/762523926.db2.gz UFHZTBCUCPHBOZ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430296 757179230 /nfs/dbraw/zinc/17/92/30/757179230.db2.gz IFCLRSCVPPZACI-OAGGEKHMSA-N 2 1 303.450 1.912 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016630854 757219760 /nfs/dbraw/zinc/21/97/60/757219760.db2.gz JWWMITOVNHVSGU-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016826982 757386972 /nfs/dbraw/zinc/38/69/72/757386972.db2.gz UJEBVBNDGHPTTO-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985128 757531481 /nfs/dbraw/zinc/53/14/81/757531481.db2.gz HNBWDWQHOBURRF-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985128 757531488 /nfs/dbraw/zinc/53/14/88/757531488.db2.gz HNBWDWQHOBURRF-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040494566 762560994 /nfs/dbraw/zinc/56/09/94/762560994.db2.gz XQFDQZJKDYANMC-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040494566 762560998 /nfs/dbraw/zinc/56/09/98/762560998.db2.gz XQFDQZJKDYANMC-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040494566 762561001 /nfs/dbraw/zinc/56/10/01/762561001.db2.gz XQFDQZJKDYANMC-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476125 757612813 /nfs/dbraw/zinc/61/28/13/757612813.db2.gz KCRFISIANIDPHJ-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476125 757612820 /nfs/dbraw/zinc/61/28/20/757612820.db2.gz KCRFISIANIDPHJ-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476125 757612825 /nfs/dbraw/zinc/61/28/25/757612825.db2.gz KCRFISIANIDPHJ-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476125 757612834 /nfs/dbraw/zinc/61/28/34/757612834.db2.gz KCRFISIANIDPHJ-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550137 758017049 /nfs/dbraw/zinc/01/70/49/758017049.db2.gz RPAKDSOMAUQXKV-TWMKSMIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550137 758017055 /nfs/dbraw/zinc/01/70/55/758017055.db2.gz RPAKDSOMAUQXKV-TWMKSMIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550137 758017064 /nfs/dbraw/zinc/01/70/64/758017064.db2.gz RPAKDSOMAUQXKV-TWMKSMIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550137 758017073 /nfs/dbraw/zinc/01/70/73/758017073.db2.gz RPAKDSOMAUQXKV-TWMKSMIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550137 758017081 /nfs/dbraw/zinc/01/70/81/758017081.db2.gz RPAKDSOMAUQXKV-TWMKSMIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958248 758099548 /nfs/dbraw/zinc/09/95/48/758099548.db2.gz RRYMWGUMNIFZAX-OAGGEKHMSA-N 2 1 314.433 1.869 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958248 758099560 /nfs/dbraw/zinc/09/95/60/758099560.db2.gz RRYMWGUMNIFZAX-OAGGEKHMSA-N 2 1 314.433 1.869 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018279580 758692957 /nfs/dbraw/zinc/69/29/57/758692957.db2.gz FMDVGTMQRKAHMV-IYBDPMFKSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018279580 758692960 /nfs/dbraw/zinc/69/29/60/758692960.db2.gz FMDVGTMQRKAHMV-IYBDPMFKSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC#C)CC2 ZINC001040731522 762664860 /nfs/dbraw/zinc/66/48/60/762664860.db2.gz MALQIUCMNBZMTP-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC#C)CC2 ZINC001040731522 762664867 /nfs/dbraw/zinc/66/48/67/762664867.db2.gz MALQIUCMNBZMTP-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054099422 759163458 /nfs/dbraw/zinc/16/34/58/759163458.db2.gz HWVJWFVBWXSCIH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099422 759163460 /nfs/dbraw/zinc/16/34/60/759163460.db2.gz HWVJWFVBWXSCIH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099422 759163466 /nfs/dbraw/zinc/16/34/66/759163466.db2.gz HWVJWFVBWXSCIH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001085253004 759203714 /nfs/dbraw/zinc/20/37/14/759203714.db2.gz RCGJZXKGOCWKHT-HUUCEWRRSA-N 2 1 320.437 1.943 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054191106 759275510 /nfs/dbraw/zinc/27/55/10/759275510.db2.gz YOYKMUAWTAQQRG-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085856190 760394911 /nfs/dbraw/zinc/39/49/11/760394911.db2.gz SWDHYVFZTBOLDK-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856190 760394920 /nfs/dbraw/zinc/39/49/20/760394920.db2.gz SWDHYVFZTBOLDK-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856190 760394931 /nfs/dbraw/zinc/39/49/31/760394931.db2.gz SWDHYVFZTBOLDK-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108215330 760398627 /nfs/dbraw/zinc/39/86/27/760398627.db2.gz DQKFRADMICVSLD-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215330 760398637 /nfs/dbraw/zinc/39/86/37/760398637.db2.gz DQKFRADMICVSLD-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215330 760398645 /nfs/dbraw/zinc/39/86/45/760398645.db2.gz DQKFRADMICVSLD-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001046850228 767982258 /nfs/dbraw/zinc/98/22/58/767982258.db2.gz PTBCMHLRYRJPJW-AEFFLSMTSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038258145 760952870 /nfs/dbraw/zinc/95/28/70/760952870.db2.gz BNKPTPMETJXDJE-BBWFWOEESA-N 2 1 321.465 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001038258145 760952876 /nfs/dbraw/zinc/95/28/76/760952876.db2.gz BNKPTPMETJXDJE-BBWFWOEESA-N 2 1 321.465 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC2CC(C)C2)CC1 ZINC001039041461 761681733 /nfs/dbraw/zinc/68/17/33/761681733.db2.gz CVXXOTOTYCMVJJ-LEOMRAHMSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849753 762705313 /nfs/dbraw/zinc/70/53/13/762705313.db2.gz WFBFOOUOIHILBZ-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041278803 762929149 /nfs/dbraw/zinc/92/91/49/762929149.db2.gz YRLVEBCZHMITHB-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041278803 762929152 /nfs/dbraw/zinc/92/91/52/762929152.db2.gz YRLVEBCZHMITHB-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041278803 762929153 /nfs/dbraw/zinc/92/91/53/762929153.db2.gz YRLVEBCZHMITHB-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041297163 762943164 /nfs/dbraw/zinc/94/31/64/762943164.db2.gz OFEBOHGYLFNVKB-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041297163 762943167 /nfs/dbraw/zinc/94/31/67/762943167.db2.gz OFEBOHGYLFNVKB-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041297163 762943169 /nfs/dbraw/zinc/94/31/69/762943169.db2.gz OFEBOHGYLFNVKB-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001041428988 763024880 /nfs/dbraw/zinc/02/48/80/763024880.db2.gz RTTYBAWZJXQEFI-IBGZPJMESA-N 2 1 322.412 1.814 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051365 763065224 /nfs/dbraw/zinc/06/52/24/763065224.db2.gz QWCYXJBKIADEFD-WNRNVDISSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051365 763065226 /nfs/dbraw/zinc/06/52/26/763065226.db2.gz QWCYXJBKIADEFD-WNRNVDISSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050051365 763065231 /nfs/dbraw/zinc/06/52/31/763065231.db2.gz QWCYXJBKIADEFD-WNRNVDISSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050174449 763264615 /nfs/dbraw/zinc/26/46/15/763264615.db2.gz XTNVZOVIYUOGJI-DOTOQJQBSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756306 763292496 /nfs/dbraw/zinc/29/24/96/763292496.db2.gz FEWSXKZQTGKPBB-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCC)C3)C2)CC1 ZINC001041844120 763399942 /nfs/dbraw/zinc/39/99/42/763399942.db2.gz CWCFIXFZOKWAQU-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846012 763402677 /nfs/dbraw/zinc/40/26/77/763402677.db2.gz VBFWNZHFXPVQBA-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846012 763402680 /nfs/dbraw/zinc/40/26/80/763402680.db2.gz VBFWNZHFXPVQBA-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846012 763402686 /nfs/dbraw/zinc/40/26/86/763402686.db2.gz VBFWNZHFXPVQBA-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046941145 768136381 /nfs/dbraw/zinc/13/63/81/768136381.db2.gz IFJCHWIWKBOGMS-MGPQQGTHSA-N 2 1 315.408 1.586 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524863 763705785 /nfs/dbraw/zinc/70/57/85/763705785.db2.gz OJOBIQWTIPYZDK-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050525049 763705995 /nfs/dbraw/zinc/70/59/95/763705995.db2.gz QFXCXJOTILESAQ-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156416 763721285 /nfs/dbraw/zinc/72/12/85/763721285.db2.gz IJNGJTGVQDERSK-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156416 763721288 /nfs/dbraw/zinc/72/12/88/763721288.db2.gz IJNGJTGVQDERSK-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233536 763793379 /nfs/dbraw/zinc/79/33/79/763793379.db2.gz FZYCZODHKZHIBY-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233536 763793384 /nfs/dbraw/zinc/79/33/84/763793384.db2.gz FZYCZODHKZHIBY-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042233536 763793390 /nfs/dbraw/zinc/79/33/90/763793390.db2.gz FZYCZODHKZHIBY-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235206 763797734 /nfs/dbraw/zinc/79/77/34/763797734.db2.gz SWQHENJNGWAHDH-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235206 763797742 /nfs/dbraw/zinc/79/77/42/763797742.db2.gz SWQHENJNGWAHDH-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235206 763797749 /nfs/dbraw/zinc/79/77/49/763797749.db2.gz SWQHENJNGWAHDH-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042289019 763864695 /nfs/dbraw/zinc/86/46/95/763864695.db2.gz XOLOKQCJKCBWTH-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314391 763904525 /nfs/dbraw/zinc/90/45/25/763904525.db2.gz PETQXERIBXAYOU-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669256 763932573 /nfs/dbraw/zinc/93/25/73/763932573.db2.gz UWKYQJVRIWOGPG-IKGGRYGDSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050764716 764020633 /nfs/dbraw/zinc/02/06/33/764020633.db2.gz FRPLGWMEMIZRQG-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051283354 764710452 /nfs/dbraw/zinc/71/04/52/764710452.db2.gz HXDTVPVJDYJOBW-SFHVURJKSA-N 2 1 311.429 1.388 20 30 DDEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051283354 764710457 /nfs/dbraw/zinc/71/04/57/764710457.db2.gz HXDTVPVJDYJOBW-SFHVURJKSA-N 2 1 311.429 1.388 20 30 DDEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051283354 764710463 /nfs/dbraw/zinc/71/04/63/764710463.db2.gz HXDTVPVJDYJOBW-SFHVURJKSA-N 2 1 311.429 1.388 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131682922 768259590 /nfs/dbraw/zinc/25/95/90/768259590.db2.gz UGOOXMHUYDZUBP-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131692324 768274921 /nfs/dbraw/zinc/27/49/21/768274921.db2.gz GLVPISUUKIBRJH-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001113254768 765490935 /nfs/dbraw/zinc/49/09/35/765490935.db2.gz NBZHPJJIIUPLME-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001113254768 765490939 /nfs/dbraw/zinc/49/09/39/765490939.db2.gz NBZHPJJIIUPLME-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001044679785 765748310 /nfs/dbraw/zinc/74/83/10/765748310.db2.gz BZBZREOAWLRHAI-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044765166 765797116 /nfs/dbraw/zinc/79/71/16/765797116.db2.gz GNWWFCCMWTZVIT-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001045461185 766322478 /nfs/dbraw/zinc/32/24/78/766322478.db2.gz RELPNGJEUMHPII-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585868 766420457 /nfs/dbraw/zinc/42/04/57/766420457.db2.gz XIFZCCKHFIQWKE-SJORKVTESA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001177270809 778525952 /nfs/dbraw/zinc/52/59/52/778525952.db2.gz RKEZKBYBNFENPU-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001177270809 778525958 /nfs/dbraw/zinc/52/59/58/778525958.db2.gz RKEZKBYBNFENPU-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001130419085 767521513 /nfs/dbraw/zinc/52/15/13/767521513.db2.gz KPAFTSJPQFESMX-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183853 768670234 /nfs/dbraw/zinc/67/02/34/768670234.db2.gz VUJBFYNNSSDRTK-HOCLYGCPSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183853 768670238 /nfs/dbraw/zinc/67/02/38/768670238.db2.gz VUJBFYNNSSDRTK-HOCLYGCPSA-N 2 1 320.437 1.363 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001098479245 768961444 /nfs/dbraw/zinc/96/14/44/768961444.db2.gz YFOUXAQICVZLCI-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098479245 768961447 /nfs/dbraw/zinc/96/14/47/768961447.db2.gz YFOUXAQICVZLCI-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001098479245 768961450 /nfs/dbraw/zinc/96/14/50/768961450.db2.gz YFOUXAQICVZLCI-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001132886229 769287770 /nfs/dbraw/zinc/28/77/70/769287770.db2.gz HECMWTHWMOFJCY-YOEHRIQHSA-N 2 1 314.433 1.494 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001133226519 769603090 /nfs/dbraw/zinc/60/30/90/769603090.db2.gz VGZVLLPTOAGHEP-SJORKVTESA-N 2 1 323.481 1.052 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818939 769939655 /nfs/dbraw/zinc/93/96/55/769939655.db2.gz OKNISZOINSNVEV-ZJPYXAASSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818939 769939658 /nfs/dbraw/zinc/93/96/58/769939658.db2.gz OKNISZOINSNVEV-ZJPYXAASSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818939 769939664 /nfs/dbraw/zinc/93/96/64/769939664.db2.gz OKNISZOINSNVEV-ZJPYXAASSA-N 2 1 317.477 1.827 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872690 770025398 /nfs/dbraw/zinc/02/53/98/770025398.db2.gz CTENBAJXAMAHCK-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048872690 770025409 /nfs/dbraw/zinc/02/54/09/770025409.db2.gz CTENBAJXAMAHCK-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048872690 770025422 /nfs/dbraw/zinc/02/54/22/770025422.db2.gz CTENBAJXAMAHCK-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939517 770142098 /nfs/dbraw/zinc/14/20/98/770142098.db2.gz RDEDJNABDVUMGU-IYBDPMFKSA-N 2 1 310.401 1.914 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097886 770368653 /nfs/dbraw/zinc/36/86/53/770368653.db2.gz WGJIQASWCDQACG-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097886 770368666 /nfs/dbraw/zinc/36/86/66/770368666.db2.gz WGJIQASWCDQACG-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097886 770368676 /nfs/dbraw/zinc/36/86/76/770368676.db2.gz WGJIQASWCDQACG-BBWFWOEESA-N 2 1 303.450 1.273 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049098328 770371064 /nfs/dbraw/zinc/37/10/64/770371064.db2.gz GGXQULXQTLNUQV-CALCHBBNSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@@H]1C ZINC001072098681 770541042 /nfs/dbraw/zinc/54/10/42/770541042.db2.gz DVKSALDMGHJDNS-RDJZCZTQSA-N 2 1 313.445 1.964 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716848 771109511 /nfs/dbraw/zinc/10/95/11/771109511.db2.gz GSHXKGHZXZFMQJ-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716848 771109513 /nfs/dbraw/zinc/10/95/13/771109513.db2.gz GSHXKGHZXZFMQJ-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716848 771109515 /nfs/dbraw/zinc/10/95/15/771109515.db2.gz GSHXKGHZXZFMQJ-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001049724892 771115375 /nfs/dbraw/zinc/11/53/75/771115375.db2.gz UQYZHMNSRPITEM-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724892 771115376 /nfs/dbraw/zinc/11/53/76/771115376.db2.gz UQYZHMNSRPITEM-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049724892 771115377 /nfs/dbraw/zinc/11/53/77/771115377.db2.gz UQYZHMNSRPITEM-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604815 771283963 /nfs/dbraw/zinc/28/39/63/771283963.db2.gz PNDLZGLFYUKZRO-SQNIBIBYSA-N 2 1 311.429 1.717 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001096604815 771283965 /nfs/dbraw/zinc/28/39/65/771283965.db2.gz PNDLZGLFYUKZRO-SQNIBIBYSA-N 2 1 311.429 1.717 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675314 771644660 /nfs/dbraw/zinc/64/46/60/771644660.db2.gz DXCVHKRHSMKDLH-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135811770 771733576 /nfs/dbraw/zinc/73/35/76/771733576.db2.gz SSZDAVMJQDBJOA-KGLIPLIRSA-N 2 1 313.405 1.940 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001091199721 772609968 /nfs/dbraw/zinc/60/99/68/772609968.db2.gz ZCAFWYUBWSBLMX-LEOMRAHMSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284820 773432326 /nfs/dbraw/zinc/43/23/26/773432326.db2.gz FZMHOUCIVNNLTB-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148899832 773628957 /nfs/dbraw/zinc/62/89/57/773628957.db2.gz HGNPFRCLSJLULG-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)[C@H]1C ZINC001074661644 774053849 /nfs/dbraw/zinc/05/38/49/774053849.db2.gz CZUVCDBMYBKCSY-HEHGZKQESA-N 2 1 315.421 1.002 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)[C@H]1C ZINC001074661644 774053855 /nfs/dbraw/zinc/05/38/55/774053855.db2.gz CZUVCDBMYBKCSY-HEHGZKQESA-N 2 1 315.421 1.002 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721551 774228936 /nfs/dbraw/zinc/22/89/36/774228936.db2.gz OKXXFLDRWFQHQH-IAGOWNOFSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC(C)C)C[C@H]1C ZINC001092690231 774233475 /nfs/dbraw/zinc/23/34/75/774233475.db2.gz DEMUVPUUKYTPLB-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001092690231 774233479 /nfs/dbraw/zinc/23/34/79/774233479.db2.gz DEMUVPUUKYTPLB-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001092690231 774233483 /nfs/dbraw/zinc/23/34/83/774233483.db2.gz DEMUVPUUKYTPLB-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(C)C)C[C@H]1C ZINC001092690231 774233489 /nfs/dbraw/zinc/23/34/89/774233489.db2.gz DEMUVPUUKYTPLB-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001092782050 774272825 /nfs/dbraw/zinc/27/28/25/774272825.db2.gz CRALZMJOYIXBIW-GDBMZVCRSA-N 2 1 310.401 1.655 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906693 774315316 /nfs/dbraw/zinc/31/53/16/774315316.db2.gz CJTNVYKRLHYVCJ-FGTMMUONSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906693 774315324 /nfs/dbraw/zinc/31/53/24/774315324.db2.gz CJTNVYKRLHYVCJ-FGTMMUONSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906693 774315330 /nfs/dbraw/zinc/31/53/30/774315330.db2.gz CJTNVYKRLHYVCJ-FGTMMUONSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762208 774515357 /nfs/dbraw/zinc/51/53/57/774515357.db2.gz GYKWVYAZZNWXGO-FUHWJXTLSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036835465 774809225 /nfs/dbraw/zinc/80/92/25/774809225.db2.gz ASCOUNWCRBRWCB-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107148 774838218 /nfs/dbraw/zinc/83/82/18/774838218.db2.gz VXIRQGFZNLPUIT-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418501 775848077 /nfs/dbraw/zinc/84/80/77/775848077.db2.gz XUWLXYDHRJUSOJ-DODZYUBVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418501 775848081 /nfs/dbraw/zinc/84/80/81/775848081.db2.gz XUWLXYDHRJUSOJ-DODZYUBVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001094418501 775848091 /nfs/dbraw/zinc/84/80/91/775848091.db2.gz XUWLXYDHRJUSOJ-DODZYUBVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001100468853 776197270 /nfs/dbraw/zinc/19/72/70/776197270.db2.gz UDQRGJKYKJONBL-UHFFFAOYSA-N 2 1 305.466 1.757 20 30 DDEDMP CN(C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173601335 777274916 /nfs/dbraw/zinc/27/49/16/777274916.db2.gz QXPRNNUPYJBONQ-HPUBIQBYSA-N 2 1 306.454 1.601 20 30 DDEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173601335 777274920 /nfs/dbraw/zinc/27/49/20/777274920.db2.gz QXPRNNUPYJBONQ-HPUBIQBYSA-N 2 1 306.454 1.601 20 30 DDEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173601335 777274928 /nfs/dbraw/zinc/27/49/28/777274928.db2.gz QXPRNNUPYJBONQ-HPUBIQBYSA-N 2 1 306.454 1.601 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001176072293 778013785 /nfs/dbraw/zinc/01/37/85/778013785.db2.gz OCVDDDXJPUZTKG-INIZCTEOSA-N 2 1 317.408 1.225 20 30 DDEDMP C=C(Cl)CN1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150552850 778067763 /nfs/dbraw/zinc/06/77/63/778067763.db2.gz HFQBVLQAVWBGRR-AWEZNQCLSA-N 2 1 317.861 1.288 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580874 778221565 /nfs/dbraw/zinc/22/15/65/778221565.db2.gz OVLQMWXBPDPDNC-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103398272 778843430 /nfs/dbraw/zinc/84/34/30/778843430.db2.gz KZFAHJPMFRQHTE-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103723586 779014431 /nfs/dbraw/zinc/01/44/31/779014431.db2.gz SBYLYZNQFNJZST-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103723586 779014434 /nfs/dbraw/zinc/01/44/34/779014434.db2.gz SBYLYZNQFNJZST-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001103756908 779033894 /nfs/dbraw/zinc/03/38/94/779033894.db2.gz FUWOEWXZSHSCFA-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103756908 779033901 /nfs/dbraw/zinc/03/39/01/779033901.db2.gz FUWOEWXZSHSCFA-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103756908 779033907 /nfs/dbraw/zinc/03/39/07/779033907.db2.gz FUWOEWXZSHSCFA-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104213953 779375920 /nfs/dbraw/zinc/37/59/20/779375920.db2.gz ZQROFFAZKLWUSB-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112285460 779689913 /nfs/dbraw/zinc/68/99/13/779689913.db2.gz XWHJKLVAIZEPKD-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299546 779691110 /nfs/dbraw/zinc/69/11/10/779691110.db2.gz SANNVHCAQRJASR-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299546 779691115 /nfs/dbraw/zinc/69/11/15/779691115.db2.gz SANNVHCAQRJASR-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266251748 835987906 /nfs/dbraw/zinc/98/79/06/835987906.db2.gz GGRAACZKEIRYLJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266251748 835987915 /nfs/dbraw/zinc/98/79/15/835987915.db2.gz GGRAACZKEIRYLJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266251748 835987926 /nfs/dbraw/zinc/98/79/26/835987926.db2.gz GGRAACZKEIRYLJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266251748 835987938 /nfs/dbraw/zinc/98/79/38/835987938.db2.gz GGRAACZKEIRYLJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266817320 836878134 /nfs/dbraw/zinc/87/81/34/836878134.db2.gz GXULPMDHHROOBF-OAHLLOKOSA-N 2 1 320.437 1.005 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266888967 836999178 /nfs/dbraw/zinc/99/91/78/836999178.db2.gz ABSLPEZEQMCDPZ-HZPDHXFCSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266888967 836999186 /nfs/dbraw/zinc/99/91/86/836999186.db2.gz ABSLPEZEQMCDPZ-HZPDHXFCSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccsc1 ZINC001266947846 837098094 /nfs/dbraw/zinc/09/80/94/837098094.db2.gz BUCNYMDIMDZBAL-ZFWWWQNUSA-N 2 1 305.447 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccsc1 ZINC001266947846 837098103 /nfs/dbraw/zinc/09/81/03/837098103.db2.gz BUCNYMDIMDZBAL-ZFWWWQNUSA-N 2 1 305.447 1.440 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267709319 838691675 /nfs/dbraw/zinc/69/16/75/838691675.db2.gz VVUIEPMAIGQHJA-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267709319 838691678 /nfs/dbraw/zinc/69/16/78/838691678.db2.gz VVUIEPMAIGQHJA-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267764021 838903575 /nfs/dbraw/zinc/90/35/75/838903575.db2.gz QSVVUPKDGDKBNM-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001267764021 838903579 /nfs/dbraw/zinc/90/35/79/838903579.db2.gz QSVVUPKDGDKBNM-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001267959316 839270996 /nfs/dbraw/zinc/27/09/96/839270996.db2.gz XBSLNROLUBBYIR-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001272090814 844587828 /nfs/dbraw/zinc/58/78/28/844587828.db2.gz IWWDLKDFHVJMOB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001272090814 844587834 /nfs/dbraw/zinc/58/78/34/844587834.db2.gz IWWDLKDFHVJMOB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001272090814 844587838 /nfs/dbraw/zinc/58/78/38/844587838.db2.gz IWWDLKDFHVJMOB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001284553479 841780010 /nfs/dbraw/zinc/78/00/10/841780010.db2.gz MXEZXIVPIZMSBH-IRXDYDNUSA-N 2 1 307.482 1.909 20 30 DDEDMP C=CC[NH2+]C[C@]1(NC(=O)CC[NH+]2CCOCC2)CCCC[C@@H]1C ZINC001269675771 841924875 /nfs/dbraw/zinc/92/48/75/841924875.db2.gz CJMGAMYSPOSOBA-FUHWJXTLSA-N 2 1 323.481 1.549 20 30 DDEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001269943031 842170249 /nfs/dbraw/zinc/17/02/49/842170249.db2.gz FUVSKYMBTFXGGZ-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001269943031 842170256 /nfs/dbraw/zinc/17/02/56/842170256.db2.gz FUVSKYMBTFXGGZ-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCN(C(=O)CC[N@@H+](C)CCC)C1CC[NH+](CCF)CC1 ZINC001270358017 842512614 /nfs/dbraw/zinc/51/26/14/842512614.db2.gz CEQQQMLTXSMUQM-UHFFFAOYSA-N 2 1 311.445 1.614 20 30 DDEDMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CCF)CC1 ZINC001270358017 842512619 /nfs/dbraw/zinc/51/26/19/842512619.db2.gz CEQQQMLTXSMUQM-UHFFFAOYSA-N 2 1 311.445 1.614 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=C)C)CC1 ZINC001270363882 842516236 /nfs/dbraw/zinc/51/62/36/842516236.db2.gz JUFHLPKBHDBANA-INIZCTEOSA-N 2 1 303.450 1.440 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001326987291 861773836 /nfs/dbraw/zinc/77/38/36/861773836.db2.gz BEWMMPWJNQWXDH-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034210764 848117755 /nfs/dbraw/zinc/11/77/55/848117755.db2.gz JKODQGDJAPDZOJ-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248795 848155349 /nfs/dbraw/zinc/15/53/49/848155349.db2.gz FXHQURDMJPPJKP-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248795 848155350 /nfs/dbraw/zinc/15/53/50/848155350.db2.gz FXHQURDMJPPJKP-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248795 848155351 /nfs/dbraw/zinc/15/53/51/848155351.db2.gz FXHQURDMJPPJKP-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248795 848155352 /nfs/dbraw/zinc/15/53/52/848155352.db2.gz FXHQURDMJPPJKP-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848416 861940918 /nfs/dbraw/zinc/94/09/18/861940918.db2.gz MIDAIQWITZNJAH-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001273200546 848713711 /nfs/dbraw/zinc/71/37/11/848713711.db2.gz CULCWSLYCGXBRT-KRWDZBQOSA-N 2 1 313.445 1.941 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150071528 862061638 /nfs/dbraw/zinc/06/16/38/862061638.db2.gz PIAYANUJQLBSTC-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001273877574 851454996 /nfs/dbraw/zinc/45/49/96/851454996.db2.gz WYMOIWWPEAJDAF-WMZOPIPTSA-N 2 1 323.481 1.378 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](CCc3ccc(C#N)cc3)[C@@H]2C1 ZINC001274919832 852691853 /nfs/dbraw/zinc/69/18/53/852691853.db2.gz AROOTLMDTFMQQB-RBUKOAKNSA-N 2 1 312.461 1.668 20 30 DDEDMP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cccc(C#N)c4)CC3)[C@H]2C1 ZINC001275290783 852957083 /nfs/dbraw/zinc/95/70/83/852957083.db2.gz BFWVWFADGIBODI-IRXDYDNUSA-N 2 1 324.428 1.200 20 30 DDEDMP CN(C)CC[N@@H+]1C[C@@H]2CCN(Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001275598273 853418300 /nfs/dbraw/zinc/41/83/00/853418300.db2.gz WGISSTASPXXDJM-MAUKXSAKSA-N 2 1 316.424 1.765 20 30 DDEDMP CN(C)CC[N@H+]1C[C@@H]2CCN(Cc3cc(F)ccc3C#N)[C@@H]2C1 ZINC001275598273 853418304 /nfs/dbraw/zinc/41/83/04/853418304.db2.gz WGISSTASPXXDJM-MAUKXSAKSA-N 2 1 316.424 1.765 20 30 DDEDMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001275697195 853587509 /nfs/dbraw/zinc/58/75/09/853587509.db2.gz GJEAJVQGZDGTDN-RDJZCZTQSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001275697195 853587514 /nfs/dbraw/zinc/58/75/14/853587514.db2.gz GJEAJVQGZDGTDN-RDJZCZTQSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001275697195 853587524 /nfs/dbraw/zinc/58/75/24/853587524.db2.gz GJEAJVQGZDGTDN-RDJZCZTQSA-N 2 1 301.434 1.749 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001275829360 853831116 /nfs/dbraw/zinc/83/11/16/853831116.db2.gz XUXYZVYZIREEMB-MSOLQXFVSA-N 2 1 314.433 1.005 20 30 DDEDMP C#Cc1cccc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c1 ZINC001276097581 854758400 /nfs/dbraw/zinc/75/84/00/854758400.db2.gz XFFWHXMXVBLQAB-OALUTQOASA-N 2 1 313.445 1.115 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](CC)CC#CCOC ZINC001156516929 863115066 /nfs/dbraw/zinc/11/50/66/863115066.db2.gz IEBYNDVQNBZTFZ-MRXNPFEDSA-N 2 1 311.470 1.195 20 30 DDEDMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC ZINC001156516929 863115073 /nfs/dbraw/zinc/11/50/73/863115073.db2.gz IEBYNDVQNBZTFZ-MRXNPFEDSA-N 2 1 311.470 1.195 20 30 DDEDMP CCC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001156516929 863115083 /nfs/dbraw/zinc/11/50/83/863115083.db2.gz IEBYNDVQNBZTFZ-MRXNPFEDSA-N 2 1 311.470 1.195 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001049549023 856961606 /nfs/dbraw/zinc/96/16/06/856961606.db2.gz MYJJLALPLFLGMP-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549023 856961612 /nfs/dbraw/zinc/96/16/12/856961612.db2.gz MYJJLALPLFLGMP-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549023 856961616 /nfs/dbraw/zinc/96/16/16/856961616.db2.gz MYJJLALPLFLGMP-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549023 856961619 /nfs/dbraw/zinc/96/16/19/856961619.db2.gz MYJJLALPLFLGMP-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549023 856961625 /nfs/dbraw/zinc/96/16/25/856961625.db2.gz MYJJLALPLFLGMP-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732682 857650987 /nfs/dbraw/zinc/65/09/87/857650987.db2.gz UHHBMWOVHGXZPI-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732682 857650990 /nfs/dbraw/zinc/65/09/90/857650990.db2.gz UHHBMWOVHGXZPI-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732682 857650993 /nfs/dbraw/zinc/65/09/93/857650993.db2.gz UHHBMWOVHGXZPI-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734355 857652253 /nfs/dbraw/zinc/65/22/53/857652253.db2.gz GEFOJSKRECFOQZ-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734355 857652257 /nfs/dbraw/zinc/65/22/57/857652257.db2.gz GEFOJSKRECFOQZ-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734355 857652264 /nfs/dbraw/zinc/65/22/64/857652264.db2.gz GEFOJSKRECFOQZ-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072886217 857844535 /nfs/dbraw/zinc/84/45/35/857844535.db2.gz KGMFIICPAMULGJ-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886217 857844538 /nfs/dbraw/zinc/84/45/38/857844538.db2.gz KGMFIICPAMULGJ-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072886217 857844541 /nfs/dbraw/zinc/84/45/41/857844541.db2.gz KGMFIICPAMULGJ-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033321 858026173 /nfs/dbraw/zinc/02/61/73/858026173.db2.gz IRMAFYZJJJLXCA-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033321 858026187 /nfs/dbraw/zinc/02/61/87/858026187.db2.gz IRMAFYZJJJLXCA-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033321 858026196 /nfs/dbraw/zinc/02/61/96/858026196.db2.gz IRMAFYZJJJLXCA-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001154455122 861118138 /nfs/dbraw/zinc/11/81/38/861118138.db2.gz GKEHISZZBCJURD-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001328588789 863091765 /nfs/dbraw/zinc/09/17/65/863091765.db2.gz LARBYIUXPCQMID-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001328588789 863091779 /nfs/dbraw/zinc/09/17/79/863091779.db2.gz LARBYIUXPCQMID-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001328588789 863091792 /nfs/dbraw/zinc/09/17/92/863091792.db2.gz LARBYIUXPCQMID-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)C1CCC([NH2+]CC#CCOC)CC1 ZINC001329255462 863563772 /nfs/dbraw/zinc/56/37/72/863563772.db2.gz BWLWRTXZNBWMPQ-UHFFFAOYSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001330244957 864186473 /nfs/dbraw/zinc/18/64/73/864186473.db2.gz PKYQBYDQGWYRRE-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001330244957 864186479 /nfs/dbraw/zinc/18/64/79/864186479.db2.gz PKYQBYDQGWYRRE-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001330407129 864318013 /nfs/dbraw/zinc/31/80/13/864318013.db2.gz XTHPXDYKJCTECA-GOEBONIOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001158354263 864596624 /nfs/dbraw/zinc/59/66/24/864596624.db2.gz GNWORVJRAIEKND-OAHLLOKOSA-N 2 1 322.453 1.695 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC001330891051 864682492 /nfs/dbraw/zinc/68/24/92/864682492.db2.gz FCKFBOOBHGNFRR-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC001330891051 864682498 /nfs/dbraw/zinc/68/24/98/864682498.db2.gz FCKFBOOBHGNFRR-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC001330891051 864682506 /nfs/dbraw/zinc/68/25/06/864682506.db2.gz FCKFBOOBHGNFRR-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC001330891051 864682513 /nfs/dbraw/zinc/68/25/13/864682513.db2.gz FCKFBOOBHGNFRR-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505598 864694911 /nfs/dbraw/zinc/69/49/11/864694911.db2.gz CPOBCVZNYMABSM-SJORKVTESA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC001331286538 864989461 /nfs/dbraw/zinc/98/94/61/864989461.db2.gz ZFAGWJRZMALADI-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC001331286538 864989465 /nfs/dbraw/zinc/98/94/65/864989465.db2.gz ZFAGWJRZMALADI-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC001331962491 865464041 /nfs/dbraw/zinc/46/40/41/865464041.db2.gz IKFHSYSTWGEHJW-HNNXBMFYSA-N 2 1 312.417 1.961 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001225507106 881874349 /nfs/dbraw/zinc/87/43/49/881874349.db2.gz ZWVRABNRXIDWAQ-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001225507106 881874368 /nfs/dbraw/zinc/87/43/68/881874368.db2.gz ZWVRABNRXIDWAQ-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001160209463 865730978 /nfs/dbraw/zinc/73/09/78/865730978.db2.gz LPQMBSAVKMQPDA-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCC1CCC1 ZINC001160209463 865730987 /nfs/dbraw/zinc/73/09/87/865730987.db2.gz LPQMBSAVKMQPDA-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001332647698 866019245 /nfs/dbraw/zinc/01/92/45/866019245.db2.gz LIBPIVMPWGKRKR-OAHLLOKOSA-N 2 1 311.470 1.188 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001161220121 866448877 /nfs/dbraw/zinc/44/88/77/866448877.db2.gz UWNRPRRZKXANOV-INIZCTEOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161220121 866448881 /nfs/dbraw/zinc/44/88/81/866448881.db2.gz UWNRPRRZKXANOV-INIZCTEOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161220121 866448887 /nfs/dbraw/zinc/44/88/87/866448887.db2.gz UWNRPRRZKXANOV-INIZCTEOSA-N 2 1 303.450 1.490 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001324740926 867491415 /nfs/dbraw/zinc/49/14/15/867491415.db2.gz IOXKXPNMNHHBDW-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001162997560 867981271 /nfs/dbraw/zinc/98/12/71/867981271.db2.gz XVMBSTANLQIFPM-GOSISDBHSA-N 2 1 313.445 1.232 20 30 DDEDMP COCC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001322307990 868108815 /nfs/dbraw/zinc/10/88/15/868108815.db2.gz UZRXYUFPTIBHFF-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001322307990 868108821 /nfs/dbraw/zinc/10/88/21/868108821.db2.gz UZRXYUFPTIBHFF-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165920189 869765841 /nfs/dbraw/zinc/76/58/41/869765841.db2.gz RHVZFCQIKNEUCX-INIZCTEOSA-N 2 1 305.466 1.616 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317070046 870197997 /nfs/dbraw/zinc/19/79/97/870197997.db2.gz ZRWOTJGLUQOTCK-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317070046 870198002 /nfs/dbraw/zinc/19/80/02/870198002.db2.gz ZRWOTJGLUQOTCK-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001317134770 870332502 /nfs/dbraw/zinc/33/25/02/870332502.db2.gz CIDRNNGBQUULHN-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001317508281 870949017 /nfs/dbraw/zinc/94/90/17/870949017.db2.gz HTAHUVFXNGJJFD-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317508281 870949032 /nfs/dbraw/zinc/94/90/32/870949032.db2.gz HTAHUVFXNGJJFD-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001317508281 870949039 /nfs/dbraw/zinc/94/90/39/870949039.db2.gz HTAHUVFXNGJJFD-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001316682386 871040027 /nfs/dbraw/zinc/04/00/27/871040027.db2.gz AVAVJEIIGRMEBT-NVXWUHKLSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncccc1C ZINC001317597101 871168830 /nfs/dbraw/zinc/16/88/30/871168830.db2.gz SAWBHIXSWJIPMI-KRWDZBQOSA-N 2 1 314.433 1.036 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncccc1C ZINC001317597101 871168835 /nfs/dbraw/zinc/16/88/35/871168835.db2.gz SAWBHIXSWJIPMI-KRWDZBQOSA-N 2 1 314.433 1.036 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317677400 871389024 /nfs/dbraw/zinc/38/90/24/871389024.db2.gz OMYABLOLGNNSDQ-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001317787192 871503936 /nfs/dbraw/zinc/50/39/36/871503936.db2.gz DCOIXAZPLRJHEI-JKSUJKDBSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461508 871567730 /nfs/dbraw/zinc/56/77/30/871567730.db2.gz LRMIUKQYYCNVAF-MRXNPFEDSA-N 2 1 314.433 1.612 20 30 DDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@H+]1CC#CCOC ZINC001316742621 871618164 /nfs/dbraw/zinc/61/81/64/871618164.db2.gz WBXINPWJUCYKIM-GVDBMIGSSA-N 2 1 323.481 1.192 20 30 DDEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001316973144 871875535 /nfs/dbraw/zinc/87/55/35/871875535.db2.gz ZDWDNRLGCLDTHD-KRWDZBQOSA-N 2 1 322.497 1.028 20 30 DDEDMP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318485108 872107363 /nfs/dbraw/zinc/10/73/63/872107363.db2.gz OMSBYTXOPRCSEN-KRWDZBQOSA-N 2 1 323.481 1.291 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001318955603 872365097 /nfs/dbraw/zinc/36/50/97/872365097.db2.gz DMFRSHHJROCYIZ-QAETUUGQSA-N 2 1 323.456 1.849 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H](C)F)CC1 ZINC001318955603 872365118 /nfs/dbraw/zinc/36/51/18/872365118.db2.gz DMFRSHHJROCYIZ-QAETUUGQSA-N 2 1 323.456 1.849 20 30 DDEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001318984924 872380224 /nfs/dbraw/zinc/38/02/24/872380224.db2.gz XULLPXPJCYGEFW-DSPLQEQRSA-N 2 1 305.466 1.900 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001208412596 874122495 /nfs/dbraw/zinc/12/24/95/874122495.db2.gz CZXNTIGNSLZLFN-LTIDMASMSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001208412596 874122499 /nfs/dbraw/zinc/12/24/99/874122499.db2.gz CZXNTIGNSLZLFN-LTIDMASMSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001208412596 874122505 /nfs/dbraw/zinc/12/25/05/874122505.db2.gz CZXNTIGNSLZLFN-LTIDMASMSA-N 2 1 323.481 1.356 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209206107 874730788 /nfs/dbraw/zinc/73/07/88/874730788.db2.gz XQQXJNWARXMKFZ-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210634213 875466724 /nfs/dbraw/zinc/46/67/24/875466724.db2.gz LSANDXCXPUHIHX-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046444 875638023 /nfs/dbraw/zinc/63/80/23/875638023.db2.gz PAJFZFCIQIQZCL-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215543914 876745794 /nfs/dbraw/zinc/74/57/94/876745794.db2.gz DGNSQDYPOPYPJI-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC001218845584 877763484 /nfs/dbraw/zinc/76/34/84/877763484.db2.gz FFNYNYSIKPKRJZ-SFHVURJKSA-N 2 1 314.433 1.113 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442274 880469031 /nfs/dbraw/zinc/46/90/31/880469031.db2.gz HKCMMXSPTHVXIP-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442274 880469038 /nfs/dbraw/zinc/46/90/38/880469038.db2.gz HKCMMXSPTHVXIP-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442274 880469041 /nfs/dbraw/zinc/46/90/41/880469041.db2.gz HKCMMXSPTHVXIP-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001224245727 881290870 /nfs/dbraw/zinc/29/08/70/881290870.db2.gz AULBMVJMDQUVBF-SJORKVTESA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245727 881290885 /nfs/dbraw/zinc/29/08/85/881290885.db2.gz AULBMVJMDQUVBF-SJORKVTESA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001224245727 881290902 /nfs/dbraw/zinc/29/09/02/881290902.db2.gz AULBMVJMDQUVBF-SJORKVTESA-N 2 1 323.481 1.452 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228624154 883581276 /nfs/dbraw/zinc/58/12/76/883581276.db2.gz RGTTWUKRDSNJAB-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C[C@H](NC(=O)NCC#CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001233954241 887493897 /nfs/dbraw/zinc/49/38/97/887493897.db2.gz SXBYKARDRDFKMA-HOTGVXAUSA-N 2 1 320.481 1.504 20 30 DDEDMP N#C[C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246380476 892585941 /nfs/dbraw/zinc/58/59/41/892585941.db2.gz HMYWHMWJFIIQFI-CVEARBPZSA-N 2 1 316.424 1.724 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278569943 894292524 /nfs/dbraw/zinc/29/25/24/894292524.db2.gz AWPCQMFGWWJATB-CHWSQXEVSA-N 2 1 306.410 1.410 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001253182095 895690382 /nfs/dbraw/zinc/69/03/82/895690382.db2.gz LONSFRLUJFISSE-SJLPKXTDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001253580262 895908439 /nfs/dbraw/zinc/90/84/39/895908439.db2.gz AYLCJKGATONXSA-FGTMMUONSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001253580262 895908454 /nfs/dbraw/zinc/90/84/54/895908454.db2.gz AYLCJKGATONXSA-FGTMMUONSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001253580262 895908465 /nfs/dbraw/zinc/90/84/65/895908465.db2.gz AYLCJKGATONXSA-FGTMMUONSA-N 2 1 317.433 1.151 20 30 DDEDMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254665100 896564215 /nfs/dbraw/zinc/56/42/15/896564215.db2.gz LNZRQJNXQDEIBY-QEOTZNIISA-N 2 1 314.437 1.365 20 30 DDEDMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254665100 896564228 /nfs/dbraw/zinc/56/42/28/896564228.db2.gz LNZRQJNXQDEIBY-QEOTZNIISA-N 2 1 314.437 1.365 20 30 DDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254665100 896564240 /nfs/dbraw/zinc/56/42/40/896564240.db2.gz LNZRQJNXQDEIBY-QEOTZNIISA-N 2 1 314.437 1.365 20 30 DDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254665100 896564252 /nfs/dbraw/zinc/56/42/52/896564252.db2.gz LNZRQJNXQDEIBY-QEOTZNIISA-N 2 1 314.437 1.365 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001278972285 897619616 /nfs/dbraw/zinc/61/96/16/897619616.db2.gz BNKBUCTZSPCAFW-HOTGVXAUSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001278972285 897619623 /nfs/dbraw/zinc/61/96/23/897619623.db2.gz BNKBUCTZSPCAFW-HOTGVXAUSA-N 2 1 305.466 1.615 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001263821074 900735818 /nfs/dbraw/zinc/73/58/18/900735818.db2.gz LYHHJMFYMGZPAC-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001263821074 900735822 /nfs/dbraw/zinc/73/58/22/900735822.db2.gz LYHHJMFYMGZPAC-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264125680 900961436 /nfs/dbraw/zinc/96/14/36/900961436.db2.gz OSSTXQJMWOMNQE-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001264392155 901081106 /nfs/dbraw/zinc/08/11/06/901081106.db2.gz FHCCVRSJJYMQGD-OAGGEKHMSA-N 2 1 316.449 1.904 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264586743 901198145 /nfs/dbraw/zinc/19/81/45/901198145.db2.gz TXLBOJGPGIHZSQ-OIISXLGYSA-N 2 1 305.466 1.565 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264586743 901198149 /nfs/dbraw/zinc/19/81/49/901198149.db2.gz TXLBOJGPGIHZSQ-OIISXLGYSA-N 2 1 305.466 1.565 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001264586743 901198154 /nfs/dbraw/zinc/19/81/54/901198154.db2.gz TXLBOJGPGIHZSQ-OIISXLGYSA-N 2 1 305.466 1.565 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001265370731 901933165 /nfs/dbraw/zinc/93/31/65/901933165.db2.gz XHWUGBUDOLOXDH-WMLDXEAASA-N 2 1 311.445 1.869 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265649081 902250349 /nfs/dbraw/zinc/25/03/49/902250349.db2.gz NASBSQSNPKVNCF-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001265649081 902250360 /nfs/dbraw/zinc/25/03/60/902250360.db2.gz NASBSQSNPKVNCF-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC[C@H](C)F)CC1 ZINC001265978750 902695352 /nfs/dbraw/zinc/69/53/52/902695352.db2.gz WRVJBAHWXUWNMN-HNNXBMFYSA-N 2 1 311.445 1.518 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001280417755 903653256 /nfs/dbraw/zinc/65/32/56/903653256.db2.gz IMXUGXQRZWTEAS-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001280417755 903653270 /nfs/dbraw/zinc/65/32/70/903653270.db2.gz IMXUGXQRZWTEAS-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001281100765 904399465 /nfs/dbraw/zinc/39/94/65/904399465.db2.gz OOAPEEJUHBAQFT-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001281100765 904399480 /nfs/dbraw/zinc/39/94/80/904399480.db2.gz OOAPEEJUHBAQFT-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001281100765 904399493 /nfs/dbraw/zinc/39/94/93/904399493.db2.gz OOAPEEJUHBAQFT-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@@H]1C ZINC001281681906 905156035 /nfs/dbraw/zinc/15/60/35/905156035.db2.gz CCHYQCAHLAKVBC-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001282660954 905928063 /nfs/dbraw/zinc/92/80/63/905928063.db2.gz FUOFXIFETOKWBR-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282660954 905928077 /nfs/dbraw/zinc/92/80/77/905928077.db2.gz FUOFXIFETOKWBR-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282660954 905928087 /nfs/dbraw/zinc/92/80/87/905928087.db2.gz FUOFXIFETOKWBR-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001282738399 906001126 /nfs/dbraw/zinc/00/11/26/906001126.db2.gz FMKBVZRBMSYSPH-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001282928089 906260843 /nfs/dbraw/zinc/26/08/43/906260843.db2.gz IWIBEKQLKNIRLD-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001283612455 907679803 /nfs/dbraw/zinc/67/98/03/907679803.db2.gz QNXKONVWYMGUBZ-GJZGRUSLSA-N 2 1 304.438 1.856 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001394745668 910450008 /nfs/dbraw/zinc/45/00/08/910450008.db2.gz PKZPWBWCXSEAAH-UONOGXRCSA-N 2 1 317.861 1.022 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000151030698 539197141 /nfs/dbraw/zinc/19/71/41/539197141.db2.gz ZWTAKJKBISPMFO-GOEBONIOSA-N 2 1 324.469 1.045 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000151030698 539197142 /nfs/dbraw/zinc/19/71/42/539197142.db2.gz ZWTAKJKBISPMFO-GOEBONIOSA-N 2 1 324.469 1.045 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000066922058 353025338 /nfs/dbraw/zinc/02/53/38/353025338.db2.gz DOQJDBYQFRBYEL-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP Cc1nc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589863350 355027469 /nfs/dbraw/zinc/02/74/69/355027469.db2.gz VOTMTHMXZGYGDU-KRWDZBQOSA-N 2 1 313.449 1.866 20 30 DDEDMP Cc1nc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ccc1C#N ZINC000589863350 355027471 /nfs/dbraw/zinc/02/74/71/355027471.db2.gz VOTMTHMXZGYGDU-KRWDZBQOSA-N 2 1 313.449 1.866 20 30 DDEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000104172232 283113828 /nfs/dbraw/zinc/11/38/28/283113828.db2.gz XBWSRWFNUUDDDA-GFCCVEGCSA-N 2 1 304.394 1.526 20 30 DDEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCCC#N)C[C@@H](C)O1 ZINC000594441244 356216896 /nfs/dbraw/zinc/21/68/96/356216896.db2.gz PNIGIWMULKXNLM-KFWWJZLASA-N 2 1 324.469 1.402 20 30 DDEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C#N)C1 ZINC000600718803 358294623 /nfs/dbraw/zinc/29/46/23/358294623.db2.gz ATHWKLZOWMYGBM-WBVHZDCISA-N 2 1 317.433 1.619 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000602528716 359028074 /nfs/dbraw/zinc/02/80/74/359028074.db2.gz TWRGXJFTEDFAAH-OAHLLOKOSA-N 2 1 309.454 1.522 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000602876589 359260391 /nfs/dbraw/zinc/26/03/91/359260391.db2.gz GPMWQNNBCGPHRL-UHFFFAOYSA-N 2 1 312.417 1.914 20 30 DDEDMP N#Cc1ccc(N2CCC[C@@H]([N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000611515366 360743344 /nfs/dbraw/zinc/74/33/44/360743344.db2.gz RTTLVAWBIMPPME-HLLBOEOZSA-N 2 1 310.401 1.205 20 30 DDEDMP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000611515366 360743349 /nfs/dbraw/zinc/74/33/49/360743349.db2.gz RTTLVAWBIMPPME-HLLBOEOZSA-N 2 1 310.401 1.205 20 30 DDEDMP Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000611519063 360744356 /nfs/dbraw/zinc/74/43/56/360744356.db2.gz ZJRVLFZBRXCLMX-IYBDPMFKSA-N 2 1 307.401 1.610 20 30 DDEDMP Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000611519063 360744362 /nfs/dbraw/zinc/74/43/62/360744362.db2.gz ZJRVLFZBRXCLMX-IYBDPMFKSA-N 2 1 307.401 1.610 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120439446 781943721 /nfs/dbraw/zinc/94/37/21/781943721.db2.gz GOFHEHLVIVQPQQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439446 781943729 /nfs/dbraw/zinc/94/37/29/781943729.db2.gz GOFHEHLVIVQPQQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439446 781943738 /nfs/dbraw/zinc/94/37/38/781943738.db2.gz GOFHEHLVIVQPQQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[C@@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000625702575 367099224 /nfs/dbraw/zinc/09/92/24/367099224.db2.gz HHPFFFGRIRSBPZ-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000265042944 204362210 /nfs/dbraw/zinc/36/22/10/204362210.db2.gz NMRDDKOGDRZCNK-CQSZACIVSA-N 2 1 300.406 1.770 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158653379 197292051 /nfs/dbraw/zinc/29/20/51/197292051.db2.gz CNHQJIILXJIPQJ-GVDBMIGSSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158653379 197292052 /nfs/dbraw/zinc/29/20/52/197292052.db2.gz CNHQJIILXJIPQJ-GVDBMIGSSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158653379 197292054 /nfs/dbraw/zinc/29/20/54/197292054.db2.gz CNHQJIILXJIPQJ-GVDBMIGSSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158653379 197292056 /nfs/dbraw/zinc/29/20/56/197292056.db2.gz CNHQJIILXJIPQJ-GVDBMIGSSA-N 2 1 305.466 1.992 20 30 DDEDMP CO[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000104161362 407348672 /nfs/dbraw/zinc/34/86/72/407348672.db2.gz ZROKYWIJXTXZDB-MRXNPFEDSA-N 2 1 320.437 1.001 20 30 DDEDMP C=CCCS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000131085553 407720671 /nfs/dbraw/zinc/72/06/71/407720671.db2.gz XNAZINUSIIRREN-HNNXBMFYSA-N 2 1 317.499 1.240 20 30 DDEDMP C=CCCS(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000131085553 407720679 /nfs/dbraw/zinc/72/06/79/407720679.db2.gz XNAZINUSIIRREN-HNNXBMFYSA-N 2 1 317.499 1.240 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc(C)c(C)s1 ZINC000268633900 408129397 /nfs/dbraw/zinc/12/93/97/408129397.db2.gz YHSCXFQHKOBHKB-CYBMUJFWSA-N 2 1 309.483 1.691 20 30 DDEDMP CN(C(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000273318696 408151867 /nfs/dbraw/zinc/15/18/67/408151867.db2.gz FFAIINUZUKNAFF-MRXNPFEDSA-N 2 1 302.422 1.162 20 30 DDEDMP C[C@@H]1C[C@H](N(C)CC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157010382 408286384 /nfs/dbraw/zinc/28/63/84/408286384.db2.gz STOQBIASXSOMTA-NVXWUHKLSA-N 2 1 314.433 1.611 20 30 DDEDMP C[NH+]=C(NCc1cnc(C)s1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158399231 408339721 /nfs/dbraw/zinc/33/97/21/408339721.db2.gz CSCANYRIYJPXJW-SMDDNHRTSA-N 2 1 309.483 1.845 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000295032257 409308962 /nfs/dbraw/zinc/30/89/62/409308962.db2.gz OQIOTHCTRFFDOF-ZDUSSCGKSA-N 2 1 301.390 1.623 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000295032257 409308964 /nfs/dbraw/zinc/30/89/64/409308964.db2.gz OQIOTHCTRFFDOF-ZDUSSCGKSA-N 2 1 301.390 1.623 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCCn1ccnc1C ZINC000297003340 409751400 /nfs/dbraw/zinc/75/14/00/409751400.db2.gz UFNDPBJWFFMKQD-UHFFFAOYSA-N 2 1 305.426 1.178 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000297003340 409751417 /nfs/dbraw/zinc/75/14/17/409751417.db2.gz UFNDPBJWFFMKQD-UHFFFAOYSA-N 2 1 305.426 1.178 20 30 DDEDMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000320440171 409903268 /nfs/dbraw/zinc/90/32/68/409903268.db2.gz WEGPCCQXKBJVOS-KRWDZBQOSA-N 2 1 317.433 1.714 20 30 DDEDMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC1 ZINC000320440171 409903271 /nfs/dbraw/zinc/90/32/71/409903271.db2.gz WEGPCCQXKBJVOS-KRWDZBQOSA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350551483 409963883 /nfs/dbraw/zinc/96/38/83/409963883.db2.gz BEBYOZYOIAHKRI-ADKAHSJRSA-N 2 1 301.434 1.903 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000333221936 410428808 /nfs/dbraw/zinc/42/88/08/410428808.db2.gz ACQUKFOAOWBCBE-ONYGOOLBSA-N 2 1 324.428 1.926 20 30 DDEDMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330267115 410606560 /nfs/dbraw/zinc/60/65/60/410606560.db2.gz HYJYAXYTMXPYCO-KFWWJZLASA-N 2 1 317.437 1.671 20 30 DDEDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330267115 410606564 /nfs/dbraw/zinc/60/65/64/410606564.db2.gz HYJYAXYTMXPYCO-KFWWJZLASA-N 2 1 317.437 1.671 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCC(CC)(CC)C1 ZINC000261937766 222261874 /nfs/dbraw/zinc/26/18/74/222261874.db2.gz CWFXYSFTHVBXGL-MRXNPFEDSA-N 2 1 323.529 1.710 20 30 DDEDMP [NH2+]=C(NCCCOc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000264132020 222323288 /nfs/dbraw/zinc/32/32/88/222323288.db2.gz UGMYTBJCXZUPNZ-UHFFFAOYSA-N 2 1 320.437 1.082 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)OCO2 ZINC000264133252 222323593 /nfs/dbraw/zinc/32/35/93/222323593.db2.gz USIQOYSQWBUOPP-ZDUSSCGKSA-N 2 1 304.394 1.304 20 30 DDEDMP C[NH+]=C(NCc1cn2ccccc2n1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262740807 222291386 /nfs/dbraw/zinc/29/13/86/222291386.db2.gz DQNHMOLBWNAJSW-CYBMUJFWSA-N 2 1 312.421 1.236 20 30 DDEDMP C[NH+]=C(NCc1cn2ccccc2n1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262740807 222291388 /nfs/dbraw/zinc/29/13/88/222291388.db2.gz DQNHMOLBWNAJSW-CYBMUJFWSA-N 2 1 312.421 1.236 20 30 DDEDMP COc1ccccc1[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCCC1 ZINC000264059784 222311664 /nfs/dbraw/zinc/31/16/64/222311664.db2.gz CHKPJNRYAIBVLO-OAHLLOKOSA-N 2 1 302.422 1.899 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000264073595 222314547 /nfs/dbraw/zinc/31/45/47/222314547.db2.gz DWYYFWHZMHTUSW-GFCCVEGCSA-N 2 1 318.421 1.915 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423552596 420079738 /nfs/dbraw/zinc/07/97/38/420079738.db2.gz GQJXJYCVJQWPKZ-GOSISDBHSA-N 2 1 314.433 1.101 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000491308082 421196106 /nfs/dbraw/zinc/19/61/06/421196106.db2.gz SKNKMPTWQZYNGK-ZACQAIPSSA-N 2 1 323.481 1.192 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000491308082 421196108 /nfs/dbraw/zinc/19/61/08/421196108.db2.gz SKNKMPTWQZYNGK-ZACQAIPSSA-N 2 1 323.481 1.192 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@](C)(C#N)CC)CC2)CC1 ZINC000571175626 421693351 /nfs/dbraw/zinc/69/33/51/421693351.db2.gz HACOGJUYWBGIQJ-SFHVURJKSA-N 2 1 320.481 1.991 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634718267 422585178 /nfs/dbraw/zinc/58/51/78/422585178.db2.gz ZKYDLKXHYFVCMX-FHWLQOOXSA-N 2 1 316.445 1.804 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634718267 422585180 /nfs/dbraw/zinc/58/51/80/422585180.db2.gz ZKYDLKXHYFVCMX-FHWLQOOXSA-N 2 1 316.445 1.804 20 30 DDEDMP C=CC[C@]1(C(=O)N2CC[N@H+](CCOC)[C@H](CCC)C2)CCC[NH2+]1 ZINC000662825756 424779700 /nfs/dbraw/zinc/77/97/00/424779700.db2.gz NGEFUVYULVQLAZ-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[C@]1(C(=O)N2CC[N@@H+](CCOC)[C@H](CCC)C2)CCC[NH2+]1 ZINC000662825756 424779701 /nfs/dbraw/zinc/77/97/01/424779701.db2.gz NGEFUVYULVQLAZ-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000153634515 278166581 /nfs/dbraw/zinc/16/65/81/278166581.db2.gz DFHCTLCOZGUKIW-UONOGXRCSA-N 2 1 308.470 1.472 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C)CC1 ZINC000580304779 333083465 /nfs/dbraw/zinc/08/34/65/333083465.db2.gz XPDITIFRWUWFBH-QGZVFWFLSA-N 2 1 304.434 1.975 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000458339544 526426790 /nfs/dbraw/zinc/42/67/90/526426790.db2.gz SPAYQSUFUMKSME-OAHLLOKOSA-N 2 1 320.481 1.763 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000491554470 526811765 /nfs/dbraw/zinc/81/17/65/526811765.db2.gz JJWSVWLSSGSYCO-UHFFFAOYSA-N 2 1 308.470 1.361 20 30 DDEDMP CC(C)(C#N)CCCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000444610342 527461417 /nfs/dbraw/zinc/46/14/17/527461417.db2.gz PCLHMYINCZPPCK-UHFFFAOYSA-N 2 1 320.481 1.946 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974577461 695688813 /nfs/dbraw/zinc/68/88/13/695688813.db2.gz NRQBEHXJFLUNSX-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974577461 695688814 /nfs/dbraw/zinc/68/88/14/695688814.db2.gz NRQBEHXJFLUNSX-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974577461 695688816 /nfs/dbraw/zinc/68/88/16/695688816.db2.gz NRQBEHXJFLUNSX-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577813 695689374 /nfs/dbraw/zinc/68/93/74/695689374.db2.gz NUZLSWPOHPWMOG-HZPDHXFCSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978411468 696378334 /nfs/dbraw/zinc/37/83/34/696378334.db2.gz KNMPLRGIQSCAFW-ZJPYXAASSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978411468 696378335 /nfs/dbraw/zinc/37/83/35/696378335.db2.gz KNMPLRGIQSCAFW-ZJPYXAASSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978411468 696378338 /nfs/dbraw/zinc/37/83/38/696378338.db2.gz KNMPLRGIQSCAFW-ZJPYXAASSA-N 2 1 317.477 1.424 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978418198 696379402 /nfs/dbraw/zinc/37/94/02/696379402.db2.gz SODHTIRYUVFMJG-ZJPYXAASSA-N 2 1 317.477 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978418198 696379404 /nfs/dbraw/zinc/37/94/04/696379404.db2.gz SODHTIRYUVFMJG-ZJPYXAASSA-N 2 1 317.477 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC000978418198 696379406 /nfs/dbraw/zinc/37/94/06/696379406.db2.gz SODHTIRYUVFMJG-ZJPYXAASSA-N 2 1 317.477 1.424 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978628246 696427764 /nfs/dbraw/zinc/42/77/64/696427764.db2.gz KUXYIKHQCIRUOF-QUSNUVHPSA-N 2 1 303.450 1.034 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978628246 696427765 /nfs/dbraw/zinc/42/77/65/696427765.db2.gz KUXYIKHQCIRUOF-QUSNUVHPSA-N 2 1 303.450 1.034 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978628246 696427766 /nfs/dbraw/zinc/42/77/66/696427766.db2.gz KUXYIKHQCIRUOF-QUSNUVHPSA-N 2 1 303.450 1.034 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000980412581 696765966 /nfs/dbraw/zinc/76/59/66/696765966.db2.gz LAIITJKCYJOBMW-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000798956941 700106283 /nfs/dbraw/zinc/10/62/83/700106283.db2.gz QTFDSJJIMXYKLC-KRWDZBQOSA-N 2 1 301.434 1.967 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CCOC)CCCC1 ZINC000156932180 696970316 /nfs/dbraw/zinc/97/03/16/696970316.db2.gz PNHNSRKRPRRQLC-OAHLLOKOSA-N 2 1 310.486 1.972 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981186405 697028651 /nfs/dbraw/zinc/02/86/51/697028651.db2.gz RGHACLCUGUDWKW-UHFFFAOYSA-N 2 1 319.453 1.169 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982806221 697180870 /nfs/dbraw/zinc/18/08/70/697180870.db2.gz WHLDWCBGJGKNHL-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982806221 697180871 /nfs/dbraw/zinc/18/08/71/697180871.db2.gz WHLDWCBGJGKNHL-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982806221 697180873 /nfs/dbraw/zinc/18/08/73/697180873.db2.gz WHLDWCBGJGKNHL-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000985430084 697509770 /nfs/dbraw/zinc/50/97/70/697509770.db2.gz VODOTGHCQUMLRW-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000985430084 697509771 /nfs/dbraw/zinc/50/97/71/697509771.db2.gz VODOTGHCQUMLRW-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000985430084 697509773 /nfs/dbraw/zinc/50/97/73/697509773.db2.gz VODOTGHCQUMLRW-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000985471041 697516479 /nfs/dbraw/zinc/51/64/79/697516479.db2.gz SXQUKAGOWLKTBM-OAHLLOKOSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000985471041 697516481 /nfs/dbraw/zinc/51/64/81/697516481.db2.gz SXQUKAGOWLKTBM-OAHLLOKOSA-N 2 1 300.406 1.317 20 30 DDEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCSCC1 ZINC000195291327 697737559 /nfs/dbraw/zinc/73/75/59/697737559.db2.gz DQWIVABYNXNBIC-MRXNPFEDSA-N 2 1 318.490 1.872 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000986571420 697841534 /nfs/dbraw/zinc/84/15/34/697841534.db2.gz WDULWCZOEGVRFQ-HUUCEWRRSA-N 2 1 316.449 1.917 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989192579 698553419 /nfs/dbraw/zinc/55/34/19/698553419.db2.gz FNHQQRSKOJEGGM-KBPBESRZSA-N 2 1 302.422 1.527 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989192583 698553799 /nfs/dbraw/zinc/55/37/99/698553799.db2.gz FNHQQRSKOJEGGM-ZIAGYGMSSA-N 2 1 302.422 1.527 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000303891860 698610057 /nfs/dbraw/zinc/61/00/57/698610057.db2.gz QYMBUMGTZXNCAT-LZLYRXPVSA-N 3 1 323.529 1.886 20 30 DDEDMP Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(C)c1 ZINC000303900714 698610429 /nfs/dbraw/zinc/61/04/29/698610429.db2.gz SFZRPFLNRDAPCB-UHFFFAOYSA-N 2 1 304.438 1.430 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000303969250 698611909 /nfs/dbraw/zinc/61/19/09/698611909.db2.gz BPLWAMJOCXJUOY-LLVKDONJSA-N 2 1 306.410 1.913 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCC(=C)C)CC2)CC1 ZINC000989735102 698745203 /nfs/dbraw/zinc/74/52/03/698745203.db2.gz SUMIHLNUBJABNW-UHFFFAOYSA-N 2 1 317.477 1.832 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990788098 699159624 /nfs/dbraw/zinc/15/96/24/699159624.db2.gz GRCVITTULBNCQQ-FAJBIJEISA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990788098 699159625 /nfs/dbraw/zinc/15/96/25/699159625.db2.gz GRCVITTULBNCQQ-FAJBIJEISA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990788098 699159626 /nfs/dbraw/zinc/15/96/26/699159626.db2.gz GRCVITTULBNCQQ-FAJBIJEISA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991860401 699425842 /nfs/dbraw/zinc/42/58/42/699425842.db2.gz LJERBAFDVWLVMX-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991860401 699425845 /nfs/dbraw/zinc/42/58/45/699425845.db2.gz LJERBAFDVWLVMX-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000730279989 699506207 /nfs/dbraw/zinc/50/62/07/699506207.db2.gz WCYGWSAAYMHEBX-SOLBZPMBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000730279989 699506209 /nfs/dbraw/zinc/50/62/09/699506209.db2.gz WCYGWSAAYMHEBX-SOLBZPMBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC(=NN1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000743525302 699915979 /nfs/dbraw/zinc/91/59/79/699915979.db2.gz BWJKWGOJUOKMID-UHFFFAOYSA-N 2 1 304.438 1.598 20 30 DDEDMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(C#N)cc3)cn2)CC1 ZINC000761952605 700874245 /nfs/dbraw/zinc/87/42/45/700874245.db2.gz BHODHOAYCRVZFM-UHFFFAOYSA-N 2 1 322.416 1.390 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000840521834 702139378 /nfs/dbraw/zinc/13/93/78/702139378.db2.gz KHQHURRNTJBLEI-MRXNPFEDSA-N 2 1 301.434 1.837 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000840521834 702139381 /nfs/dbraw/zinc/13/93/81/702139381.db2.gz KHQHURRNTJBLEI-MRXNPFEDSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@H]1Cc2ccccc2O1 ZINC000883216810 707955820 /nfs/dbraw/zinc/95/58/20/707955820.db2.gz WVJYQVYDVVEOHX-UHOSZYNNSA-N 2 1 316.445 1.981 20 30 DDEDMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@H]1Cc2ccccc2O1 ZINC000883216810 707955821 /nfs/dbraw/zinc/95/58/21/707955821.db2.gz WVJYQVYDVVEOHX-UHOSZYNNSA-N 2 1 316.445 1.981 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000884199468 708185087 /nfs/dbraw/zinc/18/50/87/708185087.db2.gz AKUFGNOOPAYBNI-DLBZAZTESA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000884199468 708185089 /nfs/dbraw/zinc/18/50/89/708185089.db2.gz AKUFGNOOPAYBNI-DLBZAZTESA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000884233211 708202575 /nfs/dbraw/zinc/20/25/75/708202575.db2.gz LSZXTVGKJBJJEM-PMPSAXMXSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000884233211 708202578 /nfs/dbraw/zinc/20/25/78/708202578.db2.gz LSZXTVGKJBJJEM-PMPSAXMXSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+](C)CC(C)C)C1 ZINC000884443982 708299437 /nfs/dbraw/zinc/29/94/37/708299437.db2.gz VEJFWZFHQBBLDF-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000884443982 708299438 /nfs/dbraw/zinc/29/94/38/708299438.db2.gz VEJFWZFHQBBLDF-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000884443982 708299440 /nfs/dbraw/zinc/29/94/40/708299440.db2.gz VEJFWZFHQBBLDF-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](C)CC(C)C)C1 ZINC000884443982 708299442 /nfs/dbraw/zinc/29/94/42/708299442.db2.gz VEJFWZFHQBBLDF-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000900116860 709295804 /nfs/dbraw/zinc/29/58/04/709295804.db2.gz ZTWYFTUIXKMUMX-UHFFFAOYSA-N 2 1 301.434 1.669 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)C1 ZINC000890363424 709836256 /nfs/dbraw/zinc/83/62/56/709836256.db2.gz OIKUPIDJMMMHKE-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000890363424 709836263 /nfs/dbraw/zinc/83/62/63/709836263.db2.gz OIKUPIDJMMMHKE-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCC)[C@@H]2CC[NH+](C)C2)C1 ZINC000890363424 709836268 /nfs/dbraw/zinc/83/62/68/709836268.db2.gz OIKUPIDJMMMHKE-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCC)[C@@H]2CC[NH+](C)C2)C1 ZINC000890363424 709836271 /nfs/dbraw/zinc/83/62/71/709836271.db2.gz OIKUPIDJMMMHKE-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](CC)C[C@@H]2CC)C1 ZINC000890362952 709836571 /nfs/dbraw/zinc/83/65/71/709836571.db2.gz IZSQHCNHDPPIOV-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)C1 ZINC000890362952 709836575 /nfs/dbraw/zinc/83/65/75/709836575.db2.gz IZSQHCNHDPPIOV-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC)C[C@@H]2CC)C1 ZINC000890362952 709836580 /nfs/dbraw/zinc/83/65/80/709836580.db2.gz IZSQHCNHDPPIOV-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC)C[C@@H]2CC)C1 ZINC000890362952 709836586 /nfs/dbraw/zinc/83/65/86/709836586.db2.gz IZSQHCNHDPPIOV-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000908086038 712682594 /nfs/dbraw/zinc/68/25/94/712682594.db2.gz QBAQLCOXSMZXNV-SFHVURJKSA-N 2 1 315.461 1.880 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000908086038 712682596 /nfs/dbraw/zinc/68/25/96/712682596.db2.gz QBAQLCOXSMZXNV-SFHVURJKSA-N 2 1 315.461 1.880 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000914150508 713348956 /nfs/dbraw/zinc/34/89/56/713348956.db2.gz VUSGRDDPAXHVDO-WBVHZDCISA-N 2 1 318.465 1.352 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000920410500 713667425 /nfs/dbraw/zinc/66/74/25/713667425.db2.gz BQZRDCUWBPSKQS-CABCVRRESA-N 2 1 306.454 1.208 20 30 DDEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000923409227 714346489 /nfs/dbraw/zinc/34/64/89/714346489.db2.gz LBDQDQKVNBQRFQ-RYQLBKOJSA-N 2 1 315.417 1.229 20 30 DDEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000923409227 714346493 /nfs/dbraw/zinc/34/64/93/714346493.db2.gz LBDQDQKVNBQRFQ-RYQLBKOJSA-N 2 1 315.417 1.229 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000964030347 717970847 /nfs/dbraw/zinc/97/08/47/717970847.db2.gz JUSODTVAYDSWLB-IOAIVIQVSA-N 2 1 315.461 1.654 20 30 DDEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000925812510 714941727 /nfs/dbraw/zinc/94/17/27/714941727.db2.gz IFPWJPYVWVJTDE-HYVNUMGLSA-N 2 1 303.381 1.944 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957278413 715813584 /nfs/dbraw/zinc/81/35/84/715813584.db2.gz JGLHFVPVHZGGIU-CVEARBPZSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959917744 716355144 /nfs/dbraw/zinc/35/51/44/716355144.db2.gz BSVLWWFNCFHFSR-NCOADZHNSA-N 2 1 303.450 1.341 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961342904 716917385 /nfs/dbraw/zinc/91/73/85/716917385.db2.gz ONNWXKTXXXBUHT-MLHJIOFPSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(=C)C)CC1(C)C ZINC000940807489 716969685 /nfs/dbraw/zinc/96/96/85/716969685.db2.gz QLBBOQPCAPGPQY-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(=C)C)CC1(C)C ZINC000940807489 716969687 /nfs/dbraw/zinc/96/96/87/716969687.db2.gz QLBBOQPCAPGPQY-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=C)C)CC1(C)C ZINC000940807489 716969691 /nfs/dbraw/zinc/96/96/91/716969691.db2.gz QLBBOQPCAPGPQY-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC(=C)C)CC1(C)C ZINC000940807489 716969693 /nfs/dbraw/zinc/96/96/93/716969693.db2.gz QLBBOQPCAPGPQY-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961762761 717198252 /nfs/dbraw/zinc/19/82/52/717198252.db2.gz HVOLGFSHQSCJMW-LDDOYCOJSA-N 2 1 323.456 1.821 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961762761 717198256 /nfs/dbraw/zinc/19/82/56/717198256.db2.gz HVOLGFSHQSCJMW-LDDOYCOJSA-N 2 1 323.456 1.821 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961762761 717198260 /nfs/dbraw/zinc/19/82/60/717198260.db2.gz HVOLGFSHQSCJMW-LDDOYCOJSA-N 2 1 323.456 1.821 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000965095451 717534616 /nfs/dbraw/zinc/53/46/16/717534616.db2.gz WUDVXXREEJWSOQ-UICTUYQUSA-N 2 1 305.466 1.777 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597911 717769499 /nfs/dbraw/zinc/76/94/99/717769499.db2.gz OHHZVESFMQPYEQ-DOMZBBRYSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597911 717769502 /nfs/dbraw/zinc/76/95/02/717769502.db2.gz OHHZVESFMQPYEQ-DOMZBBRYSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944153641 718262343 /nfs/dbraw/zinc/26/23/43/718262343.db2.gz IQTYKUUCBGGGLQ-GXTWGEPZSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944153641 718262345 /nfs/dbraw/zinc/26/23/45/718262345.db2.gz IQTYKUUCBGGGLQ-GXTWGEPZSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)C[C@H]2C)CC1 ZINC000945184208 718416622 /nfs/dbraw/zinc/41/66/22/718416622.db2.gz VOZNJRLTEWYRBV-SJLPKXTDSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947617116 719228139 /nfs/dbraw/zinc/22/81/39/719228139.db2.gz VFOHDTPFVCAUBA-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000947776310 719266761 /nfs/dbraw/zinc/26/67/61/719266761.db2.gz VMQGQYONUYHQGM-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379368 719544718 /nfs/dbraw/zinc/54/47/18/719544718.db2.gz XJLMENVJNTZGPW-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379368 719544723 /nfs/dbraw/zinc/54/47/23/719544723.db2.gz XJLMENVJNTZGPW-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968795857 719791011 /nfs/dbraw/zinc/79/10/11/719791011.db2.gz AUDDYLIZBBDICD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968795857 719791015 /nfs/dbraw/zinc/79/10/15/719791015.db2.gz AUDDYLIZBBDICD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968795857 719791017 /nfs/dbraw/zinc/79/10/17/719791017.db2.gz AUDDYLIZBBDICD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968795857 719791021 /nfs/dbraw/zinc/79/10/21/719791021.db2.gz AUDDYLIZBBDICD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887730 719845618 /nfs/dbraw/zinc/84/56/18/719845618.db2.gz KTMMUSJFZUVBDK-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887730 719845626 /nfs/dbraw/zinc/84/56/26/719845626.db2.gz KTMMUSJFZUVBDK-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969836925 720526951 /nfs/dbraw/zinc/52/69/51/720526951.db2.gz PECHXMQQIFQWGB-DZGCQCFKSA-N 2 1 302.422 1.773 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969838183 720528056 /nfs/dbraw/zinc/52/80/56/720528056.db2.gz WLXXBSRFCPHDKN-HIFRSBDPSA-N 2 1 300.406 1.220 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000969965184 720578920 /nfs/dbraw/zinc/57/89/20/720578920.db2.gz NYNOCSKMTZQQRE-CYBMUJFWSA-N 2 1 304.394 1.261 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338042 720717927 /nfs/dbraw/zinc/71/79/27/720717927.db2.gz GQQRDDZEODZJKD-DZGCQCFKSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420037 720754870 /nfs/dbraw/zinc/75/48/70/720754870.db2.gz JWEAGQUMCUYVFD-DZGCQCFKSA-N 2 1 314.433 1.214 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001027931087 738827122 /nfs/dbraw/zinc/82/71/22/738827122.db2.gz YBPVCYSRRRVGMZ-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027931087 738827125 /nfs/dbraw/zinc/82/71/25/738827125.db2.gz YBPVCYSRRRVGMZ-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001027931087 738827130 /nfs/dbraw/zinc/82/71/30/738827130.db2.gz YBPVCYSRRRVGMZ-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551543 735163996 /nfs/dbraw/zinc/16/39/96/735163996.db2.gz CBMOMTXRXDMMKV-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551543 735163997 /nfs/dbraw/zinc/16/39/97/735163997.db2.gz CBMOMTXRXDMMKV-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972551543 735164000 /nfs/dbraw/zinc/16/40/00/735164000.db2.gz CBMOMTXRXDMMKV-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972551543 735164002 /nfs/dbraw/zinc/16/40/02/735164002.db2.gz CBMOMTXRXDMMKV-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001023421827 735225354 /nfs/dbraw/zinc/22/53/54/735225354.db2.gz IGFBENQTQCDWIW-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001023421827 735225359 /nfs/dbraw/zinc/22/53/59/735225359.db2.gz IGFBENQTQCDWIW-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)C)C1 ZINC001023421827 735225365 /nfs/dbraw/zinc/22/53/65/735225365.db2.gz IGFBENQTQCDWIW-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(C)C)C1 ZINC001023421827 735225369 /nfs/dbraw/zinc/22/53/69/735225369.db2.gz IGFBENQTQCDWIW-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254631 751360490 /nfs/dbraw/zinc/36/04/90/751360490.db2.gz OFSRPIHXUZEXRD-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254631 751360498 /nfs/dbraw/zinc/36/04/98/751360498.db2.gz OFSRPIHXUZEXRD-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3cnc[nH]3)C(C)(C)[C@H]21 ZINC001087306835 736011962 /nfs/dbraw/zinc/01/19/62/736011962.db2.gz OYXGBRIMCHAADR-PVAVHDDUSA-N 2 1 314.433 1.581 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087317855 736078788 /nfs/dbraw/zinc/07/87/88/736078788.db2.gz NXTVUZVEQSASBJ-HYVNUMGLSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001020025681 736981453 /nfs/dbraw/zinc/98/14/53/736981453.db2.gz YFEMJHXMYMZSLB-IJLUTSLNSA-N 2 1 316.243 1.226 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001026313881 737338651 /nfs/dbraw/zinc/33/86/51/737338651.db2.gz RSNXGXZJWZEUGZ-ARFHVFGLSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001032581489 751389756 /nfs/dbraw/zinc/38/97/56/751389756.db2.gz VQFGSGZESRYTNW-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001032581489 751389763 /nfs/dbraw/zinc/38/97/63/751389763.db2.gz VQFGSGZESRYTNW-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001027471431 738324896 /nfs/dbraw/zinc/32/48/96/738324896.db2.gz HGXZUKXWDWVVCF-CQSZACIVSA-N 2 1 320.437 1.849 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001027471431 738324898 /nfs/dbraw/zinc/32/48/98/738324898.db2.gz HGXZUKXWDWVVCF-CQSZACIVSA-N 2 1 320.437 1.849 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041338631 739004849 /nfs/dbraw/zinc/00/48/49/739004849.db2.gz IYCYRLQPOOKORG-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041338631 739004855 /nfs/dbraw/zinc/00/48/55/739004855.db2.gz IYCYRLQPOOKORG-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041338631 739004858 /nfs/dbraw/zinc/00/48/58/739004858.db2.gz IYCYRLQPOOKORG-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041369669 739104640 /nfs/dbraw/zinc/10/46/40/739104640.db2.gz BGILALDVPGXDLL-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041369669 739104646 /nfs/dbraw/zinc/10/46/46/739104646.db2.gz BGILALDVPGXDLL-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041369669 739104648 /nfs/dbraw/zinc/10/46/48/739104648.db2.gz BGILALDVPGXDLL-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001028181708 739130561 /nfs/dbraw/zinc/13/05/61/739130561.db2.gz ZARLXFOADQDJGT-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587216 739700318 /nfs/dbraw/zinc/70/03/18/739700318.db2.gz HQRDHKCCSWDMDT-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587216 739700322 /nfs/dbraw/zinc/70/03/22/739700322.db2.gz HQRDHKCCSWDMDT-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587216 739700326 /nfs/dbraw/zinc/70/03/26/739700326.db2.gz HQRDHKCCSWDMDT-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035410817 751493194 /nfs/dbraw/zinc/49/31/94/751493194.db2.gz FXOQZMVIDKFNFD-MRXNPFEDSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035410817 751493196 /nfs/dbraw/zinc/49/31/96/751493196.db2.gz FXOQZMVIDKFNFD-MRXNPFEDSA-N 2 1 321.465 1.256 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001029003719 740248522 /nfs/dbraw/zinc/24/85/22/740248522.db2.gz POKGLNLHBVFNIZ-INIZCTEOSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001029003615 740248848 /nfs/dbraw/zinc/24/88/48/740248848.db2.gz OISKGQCXFZSVMG-CVEARBPZSA-N 2 1 323.456 1.518 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630401 740683817 /nfs/dbraw/zinc/68/38/17/740683817.db2.gz HXPVIEOGYFWKHT-OWCLPIDISA-N 2 1 316.449 1.991 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230341 742050240 /nfs/dbraw/zinc/05/02/40/742050240.db2.gz BDILISZQJHMUTJ-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001181671015 743295760 /nfs/dbraw/zinc/29/57/60/743295760.db2.gz HLJPZGFMWIKOGD-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181729123 743311920 /nfs/dbraw/zinc/31/19/20/743311920.db2.gz WGUDBBUGAGUUKE-ZHALLVOQSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181792347 743344902 /nfs/dbraw/zinc/34/49/02/743344902.db2.gz FDHLTGDYSSFMAG-ZIFCJYIRSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@H]3CCCC[N@H+]31)CC2 ZINC001035733281 751827664 /nfs/dbraw/zinc/82/76/64/751827664.db2.gz PXVSTRHZQNTJHD-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC12CCOCC2 ZINC001186311443 744380070 /nfs/dbraw/zinc/38/00/70/744380070.db2.gz TUAOOUXXYBHJQV-CVEARBPZSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC12CCOCC2 ZINC001186560938 744414231 /nfs/dbraw/zinc/41/42/31/744414231.db2.gz LPFOLWLUWQZZOL-INIZCTEOSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001089053497 744475943 /nfs/dbraw/zinc/47/59/43/744475943.db2.gz YSRHWALGPBETJE-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001089053497 744475944 /nfs/dbraw/zinc/47/59/44/744475944.db2.gz YSRHWALGPBETJE-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053497 744475945 /nfs/dbraw/zinc/47/59/45/744475945.db2.gz YSRHWALGPBETJE-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H]1C ZINC001089053497 744475946 /nfs/dbraw/zinc/47/59/46/744475946.db2.gz YSRHWALGPBETJE-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181750 744838910 /nfs/dbraw/zinc/83/89/10/744838910.db2.gz HIIUJRLXXACUCE-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(CC)CCO3)CCC[C@@H]12 ZINC000992491388 744914040 /nfs/dbraw/zinc/91/40/40/744914040.db2.gz FJERWGJRXIQCIG-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992491388 744914042 /nfs/dbraw/zinc/91/40/42/744914042.db2.gz FJERWGJRXIQCIG-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992491388 744914043 /nfs/dbraw/zinc/91/40/43/744914043.db2.gz FJERWGJRXIQCIG-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992491388 744914045 /nfs/dbraw/zinc/91/40/45/744914045.db2.gz FJERWGJRXIQCIG-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992491388 744914047 /nfs/dbraw/zinc/91/40/47/744914047.db2.gz FJERWGJRXIQCIG-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992496908 744918785 /nfs/dbraw/zinc/91/87/85/744918785.db2.gz OMNXIJLRTDAELV-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992496908 744918786 /nfs/dbraw/zinc/91/87/86/744918786.db2.gz OMNXIJLRTDAELV-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992496908 744918788 /nfs/dbraw/zinc/91/87/88/744918788.db2.gz OMNXIJLRTDAELV-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992496908 744918789 /nfs/dbraw/zinc/91/87/89/744918789.db2.gz OMNXIJLRTDAELV-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001190221965 745143915 /nfs/dbraw/zinc/14/39/15/745143915.db2.gz VDQVDGVZTBISTD-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190653892 745286265 /nfs/dbraw/zinc/28/62/65/745286265.db2.gz HSZGYAYPTAKRBJ-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190653892 745286270 /nfs/dbraw/zinc/28/62/70/745286270.db2.gz HSZGYAYPTAKRBJ-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190653892 745286273 /nfs/dbraw/zinc/28/62/73/745286273.db2.gz HSZGYAYPTAKRBJ-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191143722 745443819 /nfs/dbraw/zinc/44/38/19/745443819.db2.gz FOMJQGCQPCICRX-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191987017 745658240 /nfs/dbraw/zinc/65/82/40/745658240.db2.gz CEEQASUIEHCABE-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191987017 745658242 /nfs/dbraw/zinc/65/82/42/745658242.db2.gz CEEQASUIEHCABE-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001099236455 745813004 /nfs/dbraw/zinc/81/30/04/745813004.db2.gz ZNJDOSRZVNNVGR-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236455 745813010 /nfs/dbraw/zinc/81/30/10/745813010.db2.gz ZNJDOSRZVNNVGR-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001099236455 745813017 /nfs/dbraw/zinc/81/30/17/745813017.db2.gz ZNJDOSRZVNNVGR-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192867039 745908234 /nfs/dbraw/zinc/90/82/34/745908234.db2.gz PMBJJMBWQLSOKB-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192867039 745908235 /nfs/dbraw/zinc/90/82/35/745908235.db2.gz PMBJJMBWQLSOKB-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488252 746117631 /nfs/dbraw/zinc/11/76/31/746117631.db2.gz NSWFGAHMELFJRU-HZPDHXFCSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194028284 746257100 /nfs/dbraw/zinc/25/71/00/746257100.db2.gz XAAHNKMADRLZBO-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001194245489 746319087 /nfs/dbraw/zinc/31/90/87/746319087.db2.gz AYWPEANJQQBBNV-LWAXHKBTSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)CC(C)(C)C1 ZINC001089410754 746821979 /nfs/dbraw/zinc/82/19/79/746821979.db2.gz UFSLWBHBMYIZBQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001089410754 746821984 /nfs/dbraw/zinc/82/19/84/746821984.db2.gz UFSLWBHBMYIZBQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089410754 746821991 /nfs/dbraw/zinc/82/19/91/746821991.db2.gz UFSLWBHBMYIZBQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1 ZINC001089410754 746821997 /nfs/dbraw/zinc/82/19/97/746821997.db2.gz UFSLWBHBMYIZBQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001196718215 746941763 /nfs/dbraw/zinc/94/17/63/746941763.db2.gz WAQXTNODFSMMQX-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001031742975 747637200 /nfs/dbraw/zinc/63/72/00/747637200.db2.gz ZABHSIUZXZXLGM-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001031742975 747637206 /nfs/dbraw/zinc/63/72/06/747637206.db2.gz ZABHSIUZXZXLGM-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198984832 747669488 /nfs/dbraw/zinc/66/94/88/747669488.db2.gz SCLAHIYAWWGQFZ-HOCLYGCPSA-N 2 1 315.417 1.027 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198984832 747669495 /nfs/dbraw/zinc/66/94/95/747669495.db2.gz SCLAHIYAWWGQFZ-HOCLYGCPSA-N 2 1 315.417 1.027 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200124096 748141108 /nfs/dbraw/zinc/14/11/08/748141108.db2.gz XWCAFHYSOHBOMI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCO1 ZINC001200688385 748312126 /nfs/dbraw/zinc/31/21/26/748312126.db2.gz OMIHTOKMJOLCGY-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004522895 748511270 /nfs/dbraw/zinc/51/12/70/748511270.db2.gz MLOULZWUPJIYFG-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059046 748672354 /nfs/dbraw/zinc/67/23/54/748672354.db2.gz OMKOPLUKZGXYHF-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012655 748679280 /nfs/dbraw/zinc/67/92/80/748679280.db2.gz ZDEGOLZNNFYGAS-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012655 748679283 /nfs/dbraw/zinc/67/92/83/748679283.db2.gz ZDEGOLZNNFYGAS-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147581 748696213 /nfs/dbraw/zinc/69/62/13/748696213.db2.gz HYDKALXXUSFBGN-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110615562 748828470 /nfs/dbraw/zinc/82/84/70/748828470.db2.gz XXMQTUUBLMTTJC-QXSJWSMHSA-N 2 1 309.429 1.411 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667787 748876700 /nfs/dbraw/zinc/87/67/00/748876700.db2.gz KZUVEZLREZUHNP-NCOADZHNSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110741028 748970649 /nfs/dbraw/zinc/97/06/49/748970649.db2.gz OCMRRJBVXIJDGA-ZACQAIPSSA-N 2 1 314.433 1.815 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039298015 761917447 /nfs/dbraw/zinc/91/74/47/761917447.db2.gz FPQOSANNMFHMKO-ALOPSCKCSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033836084 749960169 /nfs/dbraw/zinc/96/01/69/749960169.db2.gz LDAZTSDDJHDELO-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033837141 749961045 /nfs/dbraw/zinc/96/10/45/749961045.db2.gz KOAUHYVNGYJSGR-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450061 749971379 /nfs/dbraw/zinc/97/13/79/749971379.db2.gz ATBMLMIWNSVWGI-JFIYKMOQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033853811 749990115 /nfs/dbraw/zinc/99/01/15/749990115.db2.gz DCVUHXFYIUTGEV-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033853811 749990117 /nfs/dbraw/zinc/99/01/17/749990117.db2.gz DCVUHXFYIUTGEV-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033853811 749990119 /nfs/dbraw/zinc/99/01/19/749990119.db2.gz DCVUHXFYIUTGEV-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095534058 750019523 /nfs/dbraw/zinc/01/95/23/750019523.db2.gz YHVBLHFNKRUSRP-VSZNYVQBSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095534058 750019529 /nfs/dbraw/zinc/01/95/29/750019529.db2.gz YHVBLHFNKRUSRP-VSZNYVQBSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095534058 750019541 /nfs/dbraw/zinc/01/95/41/750019541.db2.gz YHVBLHFNKRUSRP-VSZNYVQBSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095534058 750019552 /nfs/dbraw/zinc/01/95/52/750019552.db2.gz YHVBLHFNKRUSRP-VSZNYVQBSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095534058 750019557 /nfs/dbraw/zinc/01/95/57/750019557.db2.gz YHVBLHFNKRUSRP-VSZNYVQBSA-N 2 1 315.461 1.748 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033869729 750029024 /nfs/dbraw/zinc/02/90/24/750029024.db2.gz VLKZLHUDNNVHBA-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033869729 750029029 /nfs/dbraw/zinc/02/90/29/750029029.db2.gz VLKZLHUDNNVHBA-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033869729 750029032 /nfs/dbraw/zinc/02/90/32/750029032.db2.gz VLKZLHUDNNVHBA-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033869729 750029039 /nfs/dbraw/zinc/02/90/39/750029039.db2.gz VLKZLHUDNNVHBA-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005426440 750046615 /nfs/dbraw/zinc/04/66/15/750046615.db2.gz TYRZYLYBKTZZEG-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001039447889 762039665 /nfs/dbraw/zinc/03/96/65/762039665.db2.gz OBKDPBVFQDREPS-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001039447889 762039673 /nfs/dbraw/zinc/03/96/73/762039673.db2.gz OBKDPBVFQDREPS-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447889 762039680 /nfs/dbraw/zinc/03/96/80/762039680.db2.gz OBKDPBVFQDREPS-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001039447889 762039687 /nfs/dbraw/zinc/03/96/87/762039687.db2.gz OBKDPBVFQDREPS-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001077777352 750617789 /nfs/dbraw/zinc/61/77/89/750617789.db2.gz ITILVNNYBUFACI-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777352 750617792 /nfs/dbraw/zinc/61/77/92/750617792.db2.gz ITILVNNYBUFACI-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001077777352 750617795 /nfs/dbraw/zinc/61/77/95/750617795.db2.gz ITILVNNYBUFACI-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN(C)c1cc[nH+]cc1 ZINC001114496147 750660181 /nfs/dbraw/zinc/66/01/81/750660181.db2.gz HCCOIXOSBFCHAM-QLPKVWCKSA-N 2 1 300.406 1.140 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114972105 750813935 /nfs/dbraw/zinc/81/39/35/750813935.db2.gz FQURKVSBMSENOT-QLPKVWCKSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114972105 750813944 /nfs/dbraw/zinc/81/39/44/750813944.db2.gz FQURKVSBMSENOT-QLPKVWCKSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CCN1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108160606 750897836 /nfs/dbraw/zinc/89/78/36/750897836.db2.gz POLRBGXDJSNIIJ-ZOBUZTSGSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000999208465 752656033 /nfs/dbraw/zinc/65/60/33/752656033.db2.gz KVDLGICFPNPWTG-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999208465 752656037 /nfs/dbraw/zinc/65/60/37/752656037.db2.gz KVDLGICFPNPWTG-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999208465 752656043 /nfs/dbraw/zinc/65/60/43/752656043.db2.gz KVDLGICFPNPWTG-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008506559 752772883 /nfs/dbraw/zinc/77/28/83/752772883.db2.gz CROHPEWCPIJDSS-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008506559 752772885 /nfs/dbraw/zinc/77/28/85/752772885.db2.gz CROHPEWCPIJDSS-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008506559 752772886 /nfs/dbraw/zinc/77/28/86/752772886.db2.gz CROHPEWCPIJDSS-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000999301042 752809636 /nfs/dbraw/zinc/80/96/36/752809636.db2.gz RBBGGIMNNIKERJ-VQCLRJIVSA-N 2 1 302.422 1.519 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009146695 753088022 /nfs/dbraw/zinc/08/80/22/753088022.db2.gz RUDLJJOPDRRVAF-QGZVFWFLSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009247325 753125617 /nfs/dbraw/zinc/12/56/17/753125617.db2.gz QSXCYOQOJCYLPM-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009247325 753125620 /nfs/dbraw/zinc/12/56/20/753125620.db2.gz QSXCYOQOJCYLPM-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108166221 753186461 /nfs/dbraw/zinc/18/64/61/753186461.db2.gz WUBOGEMRMUDALQ-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001009629135 753288339 /nfs/dbraw/zinc/28/83/39/753288339.db2.gz RIJMWRMWLJQGPK-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001083908595 754771898 /nfs/dbraw/zinc/77/18/98/754771898.db2.gz LZZCYUOTEIOESQ-SJORKVTESA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040138899 762405505 /nfs/dbraw/zinc/40/55/05/762405505.db2.gz WGIXPDOYMAROOS-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040138899 762405512 /nfs/dbraw/zinc/40/55/12/762405512.db2.gz WGIXPDOYMAROOS-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040138899 762405517 /nfs/dbraw/zinc/40/55/17/762405517.db2.gz WGIXPDOYMAROOS-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040138899 762405521 /nfs/dbraw/zinc/40/55/21/762405521.db2.gz WGIXPDOYMAROOS-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441414 755918819 /nfs/dbraw/zinc/91/88/19/755918819.db2.gz LKBAOBOZNOOYMX-IIDMSEBBSA-N 2 1 323.456 1.659 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619713 756417960 /nfs/dbraw/zinc/41/79/60/756417960.db2.gz CJYGKSZBCKEBJP-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619713 756417963 /nfs/dbraw/zinc/41/79/63/756417963.db2.gz CJYGKSZBCKEBJP-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001081981081 756584869 /nfs/dbraw/zinc/58/48/69/756584869.db2.gz SLSUOPVMKJRGQA-ZACQAIPSSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066310 756622872 /nfs/dbraw/zinc/62/28/72/756622872.db2.gz KXOHVMDDBUCGJV-CAOSSQGBSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066310 756622874 /nfs/dbraw/zinc/62/28/74/756622874.db2.gz KXOHVMDDBUCGJV-CAOSSQGBSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066310 756622877 /nfs/dbraw/zinc/62/28/77/756622877.db2.gz KXOHVMDDBUCGJV-CAOSSQGBSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001082699736 756895313 /nfs/dbraw/zinc/89/53/13/756895313.db2.gz UYDQHFJMSPFZCX-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016733284 757306303 /nfs/dbraw/zinc/30/63/03/757306303.db2.gz JKLIUHSPKADDKP-OAHLLOKOSA-N 2 1 302.422 1.738 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016793365 757359179 /nfs/dbraw/zinc/35/91/79/757359179.db2.gz KQZZJBBWOWWLHD-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016826981 757386412 /nfs/dbraw/zinc/38/64/12/757386412.db2.gz UJEBVBNDGHPTTO-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016930003 757485423 /nfs/dbraw/zinc/48/54/23/757485423.db2.gz HTBFOQMYTIWVPL-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084421913 757542768 /nfs/dbraw/zinc/54/27/68/757542768.db2.gz FHNQAWGNHRMAHF-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084421913 757542775 /nfs/dbraw/zinc/54/27/75/757542775.db2.gz FHNQAWGNHRMAHF-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001084421913 757542781 /nfs/dbraw/zinc/54/27/81/757542781.db2.gz FHNQAWGNHRMAHF-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001084487914 757608002 /nfs/dbraw/zinc/60/80/02/757608002.db2.gz DJARFRZEGPDFSS-NVXWUHKLSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001084522039 757636751 /nfs/dbraw/zinc/63/67/51/757636751.db2.gz HEJQMEIJLVFONL-RHSMWYFYSA-N 2 1 308.385 1.504 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871046 757908471 /nfs/dbraw/zinc/90/84/71/757908471.db2.gz BXPGRKOIUQZNMH-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871046 757908476 /nfs/dbraw/zinc/90/84/76/757908476.db2.gz BXPGRKOIUQZNMH-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941524 758085547 /nfs/dbraw/zinc/08/55/47/758085547.db2.gz NTBQUPAGCILQQE-KURKYZTESA-N 2 1 317.477 1.827 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953437 758092386 /nfs/dbraw/zinc/09/23/86/758092386.db2.gz LRZQNHQLRHCILH-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953437 758092392 /nfs/dbraw/zinc/09/23/92/758092392.db2.gz LRZQNHQLRHCILH-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953437 758092405 /nfs/dbraw/zinc/09/24/05/758092405.db2.gz LRZQNHQLRHCILH-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@@H]21 ZINC001084957733 758098973 /nfs/dbraw/zinc/09/89/73/758098973.db2.gz TYUXVOATYVLGSX-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957733 758098985 /nfs/dbraw/zinc/09/89/85/758098985.db2.gz TYUXVOATYVLGSX-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@@H]21 ZINC001084957733 758098996 /nfs/dbraw/zinc/09/89/96/758098996.db2.gz TYUXVOATYVLGSX-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001040700541 762653620 /nfs/dbraw/zinc/65/36/20/762653620.db2.gz NADHQQQLKUUARI-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822092 758851466 /nfs/dbraw/zinc/85/14/66/758851466.db2.gz GAXCKQFWVPPCQC-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809869 762683757 /nfs/dbraw/zinc/68/37/57/762683757.db2.gz LRNDZNOCUWHFIU-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CCC)C2)C1 ZINC001054146459 759224449 /nfs/dbraw/zinc/22/44/49/759224449.db2.gz DOOYOGYFVBNDMT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001054146459 759224459 /nfs/dbraw/zinc/22/44/59/759224459.db2.gz DOOYOGYFVBNDMT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC)C2)C1 ZINC001054146459 759224467 /nfs/dbraw/zinc/22/44/67/759224467.db2.gz DOOYOGYFVBNDMT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCC)C2)C1 ZINC001054146459 759224474 /nfs/dbraw/zinc/22/44/74/759224474.db2.gz DOOYOGYFVBNDMT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085313145 759254028 /nfs/dbraw/zinc/25/40/28/759254028.db2.gz LBEWUEBMFNZGSN-DJIMGWMZSA-N 2 1 314.433 1.404 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213986 760388181 /nfs/dbraw/zinc/38/81/81/760388181.db2.gz WCUMGMFCZCMSFM-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213986 760388191 /nfs/dbraw/zinc/38/81/91/760388191.db2.gz WCUMGMFCZCMSFM-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213986 760388199 /nfs/dbraw/zinc/38/81/99/760388199.db2.gz WCUMGMFCZCMSFM-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CCN1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855762 760393086 /nfs/dbraw/zinc/39/30/86/760393086.db2.gz INUIQZUDYVKMMM-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085987266 760658401 /nfs/dbraw/zinc/65/84/01/760658401.db2.gz YBSRQGMDGWOMSX-QGZVFWFLSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039125616 761762528 /nfs/dbraw/zinc/76/25/28/761762528.db2.gz FFFFVDDQJXJVPJ-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039125616 761762534 /nfs/dbraw/zinc/76/25/34/761762534.db2.gz FFFFVDDQJXJVPJ-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039125616 761762542 /nfs/dbraw/zinc/76/25/42/761762542.db2.gz FFFFVDDQJXJVPJ-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039180655 761806483 /nfs/dbraw/zinc/80/64/83/761806483.db2.gz SIGPZVWNWAHJBZ-KRWDZBQOSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359961 762979225 /nfs/dbraw/zinc/97/92/25/762979225.db2.gz WIWXVQCIIVARHZ-YJBOKZPZSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359961 762979232 /nfs/dbraw/zinc/97/92/32/762979232.db2.gz WIWXVQCIIVARHZ-YJBOKZPZSA-N 2 1 312.417 1.318 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050047963 763061099 /nfs/dbraw/zinc/06/10/99/763061099.db2.gz WFCGCWCVNDQJCP-OKZBNKHCSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001041603426 763171295 /nfs/dbraw/zinc/17/12/95/763171295.db2.gz UZKYHSGZFWVGMH-BQFCYCMXSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041603426 763171308 /nfs/dbraw/zinc/17/13/08/763171308.db2.gz UZKYHSGZFWVGMH-BQFCYCMXSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001041603426 763171314 /nfs/dbraw/zinc/17/13/14/763171314.db2.gz UZKYHSGZFWVGMH-BQFCYCMXSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041672588 763213335 /nfs/dbraw/zinc/21/33/35/763213335.db2.gz QWQNOUKJYBBCGU-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041677657 763216414 /nfs/dbraw/zinc/21/64/14/763216414.db2.gz DOPSVRMKNXGUGQ-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041677657 763216422 /nfs/dbraw/zinc/21/64/22/763216422.db2.gz DOPSVRMKNXGUGQ-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041677657 763216427 /nfs/dbraw/zinc/21/64/27/763216427.db2.gz DOPSVRMKNXGUGQ-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050154025 763228278 /nfs/dbraw/zinc/22/82/78/763228278.db2.gz JQBYQPFYTUXGCU-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001050154025 763228285 /nfs/dbraw/zinc/22/82/85/763228285.db2.gz JQBYQPFYTUXGCU-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169991634 763544023 /nfs/dbraw/zinc/54/40/23/763544023.db2.gz PFNJGLFDBHZSMS-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169991634 763544029 /nfs/dbraw/zinc/54/40/29/763544029.db2.gz PFNJGLFDBHZSMS-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156413 763721223 /nfs/dbraw/zinc/72/12/23/763721223.db2.gz IJNGJTGVQDERSK-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001042156413 763721225 /nfs/dbraw/zinc/72/12/25/763721225.db2.gz IJNGJTGVQDERSK-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316393 763906603 /nfs/dbraw/zinc/90/66/03/763906603.db2.gz LNHHNEZWCAQPTI-YOEHRIQHSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316393 763906608 /nfs/dbraw/zinc/90/66/08/763906608.db2.gz LNHHNEZWCAQPTI-YOEHRIQHSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001113487462 765748605 /nfs/dbraw/zinc/74/86/05/765748605.db2.gz WMEVYJUPHHGUKA-UHFFFAOYSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620546 766005917 /nfs/dbraw/zinc/00/59/17/766005917.db2.gz QKZMVAXGEQYOQU-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001170212397 766171107 /nfs/dbraw/zinc/17/11/07/766171107.db2.gz WXHPJALQJONEBK-UHFFFAOYSA-N 2 1 301.434 1.476 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045556815 766399331 /nfs/dbraw/zinc/39/93/31/766399331.db2.gz MEWNSSCKXAPKIR-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001177270807 778525996 /nfs/dbraw/zinc/52/59/96/778525996.db2.gz RKEZKBYBNFENPU-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001177270807 778526003 /nfs/dbraw/zinc/52/60/03/778526003.db2.gz RKEZKBYBNFENPU-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985353 766761845 /nfs/dbraw/zinc/76/18/45/766761845.db2.gz RYXWGZJXKXUSPL-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985353 766761850 /nfs/dbraw/zinc/76/18/50/766761850.db2.gz RYXWGZJXKXUSPL-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369454 767479414 /nfs/dbraw/zinc/47/94/14/767479414.db2.gz VJHMIBBEOXSUOU-FUHWJXTLSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369454 767479416 /nfs/dbraw/zinc/47/94/16/767479416.db2.gz VJHMIBBEOXSUOU-FUHWJXTLSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369454 767479419 /nfs/dbraw/zinc/47/94/19/767479419.db2.gz VJHMIBBEOXSUOU-FUHWJXTLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046377316 767488178 /nfs/dbraw/zinc/48/81/78/767488178.db2.gz IKONXVYTDNOARE-WMLDXEAASA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046377316 767488179 /nfs/dbraw/zinc/48/81/79/767488179.db2.gz IKONXVYTDNOARE-WMLDXEAASA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130431435 767517932 /nfs/dbraw/zinc/51/79/32/767517932.db2.gz XTEHQHLLZLLPKI-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001130418992 767522399 /nfs/dbraw/zinc/52/23/99/767522399.db2.gz GJAQWGOGEIUACW-UHFFFAOYSA-N 2 1 302.422 1.494 20 30 DDEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@H+](C)CCC)C1 ZINC001130445908 767527901 /nfs/dbraw/zinc/52/79/01/767527901.db2.gz DFVQKBYKBHLHJA-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130445908 767527907 /nfs/dbraw/zinc/52/79/07/767527907.db2.gz DFVQKBYKBHLHJA-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130445908 767527910 /nfs/dbraw/zinc/52/79/10/767527910.db2.gz DFVQKBYKBHLHJA-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407695 768457570 /nfs/dbraw/zinc/45/75/70/768457570.db2.gz MYFCMWXBDSYMID-ULQDDVLXSA-N 2 1 323.481 1.044 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407695 768457573 /nfs/dbraw/zinc/45/75/73/768457573.db2.gz MYFCMWXBDSYMID-ULQDDVLXSA-N 2 1 323.481 1.044 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407695 768457575 /nfs/dbraw/zinc/45/75/75/768457575.db2.gz MYFCMWXBDSYMID-ULQDDVLXSA-N 2 1 323.481 1.044 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001098478710 768658864 /nfs/dbraw/zinc/65/88/64/768658864.db2.gz AFKIJAJVEGXBAS-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001098478710 768658866 /nfs/dbraw/zinc/65/88/66/768658866.db2.gz AFKIJAJVEGXBAS-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001098478710 768658867 /nfs/dbraw/zinc/65/88/67/768658867.db2.gz AFKIJAJVEGXBAS-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365412 768778888 /nfs/dbraw/zinc/77/88/88/768778888.db2.gz JZJOMMDRVIUVGX-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365412 768778891 /nfs/dbraw/zinc/77/88/91/768778891.db2.gz JZJOMMDRVIUVGX-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C=CCCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132360524 768785500 /nfs/dbraw/zinc/78/55/00/768785500.db2.gz UFMSQFXREYXXLN-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132360524 768785505 /nfs/dbraw/zinc/78/55/05/768785505.db2.gz UFMSQFXREYXXLN-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001048526280 769494393 /nfs/dbraw/zinc/49/43/93/769494393.db2.gz PXVFHIVWHDCCEA-BZZMCLGOSA-N 2 1 315.461 1.321 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001133853249 770336023 /nfs/dbraw/zinc/33/60/23/770336023.db2.gz GWZYRQHHQRWVND-CYBMUJFWSA-N 2 1 318.396 1.245 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@@H]1C ZINC001071958301 770348959 /nfs/dbraw/zinc/34/89/59/770348959.db2.gz WVCCNFBHGNDQAR-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133870918 770397573 /nfs/dbraw/zinc/39/75/73/770397573.db2.gz XETSVJOOHVFVGW-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049146269 770456791 /nfs/dbraw/zinc/45/67/91/770456791.db2.gz AZLSBJLJFXVQBZ-HDICACEKSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[C@H]1C ZINC001072098680 770541731 /nfs/dbraw/zinc/54/17/31/770541731.db2.gz DVKSALDMGHJDNS-NVXWUHKLSA-N 2 1 313.445 1.964 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049902486 771246462 /nfs/dbraw/zinc/24/64/62/771246462.db2.gz ASRNKAJXFAVHTP-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049902486 771246464 /nfs/dbraw/zinc/24/64/64/771246464.db2.gz ASRNKAJXFAVHTP-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902486 771246467 /nfs/dbraw/zinc/24/64/67/771246467.db2.gz ASRNKAJXFAVHTP-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049902486 771246471 /nfs/dbraw/zinc/24/64/71/771246471.db2.gz ASRNKAJXFAVHTP-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919956 771261382 /nfs/dbraw/zinc/26/13/82/771261382.db2.gz QKCZJCTWVGFWJQ-MSOLQXFVSA-N 2 1 317.477 1.951 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc([C@H](C)[NH3+])nc1 ZINC001171074761 772242475 /nfs/dbraw/zinc/24/24/75/772242475.db2.gz GPJHDMVZIQARTG-JSGCOSHPSA-N 2 1 306.410 1.740 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001171248457 772710363 /nfs/dbraw/zinc/71/03/63/772710363.db2.gz VMYLCCCODDPDFA-HUUCEWRRSA-N 2 1 302.422 1.658 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001073748168 773371384 /nfs/dbraw/zinc/37/13/84/773371384.db2.gz BUMLXGXBDZAPJG-OAHLLOKOSA-N 2 1 321.421 1.348 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738472 773555510 /nfs/dbraw/zinc/55/55/10/773555510.db2.gz ZRLFJNDMMPYFRM-RKVPGOIHSA-N 2 1 312.417 1.174 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738472 773555513 /nfs/dbraw/zinc/55/55/13/773555513.db2.gz ZRLFJNDMMPYFRM-RKVPGOIHSA-N 2 1 312.417 1.174 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924051 773723340 /nfs/dbraw/zinc/72/33/40/773723340.db2.gz IWPAFKMNHODHRN-BRWVUGGUSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953149 773891838 /nfs/dbraw/zinc/89/18/38/773891838.db2.gz AURGQRUNFKMIKU-BMFAXAFESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953149 773891845 /nfs/dbraw/zinc/89/18/45/773891845.db2.gz AURGQRUNFKMIKU-BMFAXAFESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953149 773891852 /nfs/dbraw/zinc/89/18/52/773891852.db2.gz AURGQRUNFKMIKU-BMFAXAFESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071214 773935652 /nfs/dbraw/zinc/93/56/52/773935652.db2.gz LTFYAOHZZPRWIW-MJGOQNOKSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092758081 774251907 /nfs/dbraw/zinc/25/19/07/774251907.db2.gz NXOJORFZZXPOFJ-ZACQAIPSSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092758081 774251909 /nfs/dbraw/zinc/25/19/09/774251909.db2.gz NXOJORFZZXPOFJ-ZACQAIPSSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092758081 774251912 /nfs/dbraw/zinc/25/19/12/774251912.db2.gz NXOJORFZZXPOFJ-ZACQAIPSSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001098446705 774584117 /nfs/dbraw/zinc/58/41/17/774584117.db2.gz JULIDFDRLKQANG-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001098446705 774584119 /nfs/dbraw/zinc/58/41/19/774584119.db2.gz JULIDFDRLKQANG-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098446705 774584122 /nfs/dbraw/zinc/58/41/22/774584122.db2.gz JULIDFDRLKQANG-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001098446705 774584126 /nfs/dbraw/zinc/58/41/26/774584126.db2.gz JULIDFDRLKQANG-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098837417 774689992 /nfs/dbraw/zinc/68/99/92/774689992.db2.gz PAZPPPDWGRRWJG-LNLFQRSKSA-N 2 1 317.477 1.875 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099298995 774937169 /nfs/dbraw/zinc/93/71/69/774937169.db2.gz QECMGZXYYDMMBS-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099298995 774937172 /nfs/dbraw/zinc/93/71/72/774937172.db2.gz QECMGZXYYDMMBS-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099298995 774937175 /nfs/dbraw/zinc/93/71/75/774937175.db2.gz QECMGZXYYDMMBS-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099311142 774941492 /nfs/dbraw/zinc/94/14/92/774941492.db2.gz YJWBBYXWHPMHLK-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099311142 774941499 /nfs/dbraw/zinc/94/14/99/774941499.db2.gz YJWBBYXWHPMHLK-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099311142 774941506 /nfs/dbraw/zinc/94/15/06/774941506.db2.gz YJWBBYXWHPMHLK-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503675 775938431 /nfs/dbraw/zinc/93/84/31/775938431.db2.gz NLQFBGSDJMONAH-SJLPKXTDSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001150325610 777410772 /nfs/dbraw/zinc/41/07/72/777410772.db2.gz REAVPWKANOHNFA-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150325610 777410783 /nfs/dbraw/zinc/41/07/83/777410783.db2.gz REAVPWKANOHNFA-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150325610 777410788 /nfs/dbraw/zinc/41/07/88/777410788.db2.gz REAVPWKANOHNFA-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102357920 778093366 /nfs/dbraw/zinc/09/33/66/778093366.db2.gz OEQIMNHAMSIQIZ-ZACQAIPSSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176590569 778176837 /nfs/dbraw/zinc/17/68/37/778176837.db2.gz BHDVEKQXCWWLAL-OAHLLOKOSA-N 2 1 322.453 1.659 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103720194 779010394 /nfs/dbraw/zinc/01/03/94/779010394.db2.gz LUHCYZBXRIWOSJ-ZACQAIPSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103720194 779010395 /nfs/dbraw/zinc/01/03/95/779010395.db2.gz LUHCYZBXRIWOSJ-ZACQAIPSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103720194 779010403 /nfs/dbraw/zinc/01/04/03/779010403.db2.gz LUHCYZBXRIWOSJ-ZACQAIPSSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724716 779015313 /nfs/dbraw/zinc/01/53/13/779015313.db2.gz QKXQNNYMTGESJC-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724716 779015325 /nfs/dbraw/zinc/01/53/25/779015325.db2.gz QKXQNNYMTGESJC-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891438 779212338 /nfs/dbraw/zinc/21/23/38/779212338.db2.gz SWGOUOQDNNCVBB-SOUVJXGZSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001111984006 779588163 /nfs/dbraw/zinc/58/81/63/779588163.db2.gz VMHUDNCJKRVGAZ-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111984006 779588165 /nfs/dbraw/zinc/58/81/65/779588165.db2.gz VMHUDNCJKRVGAZ-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001111984006 779588173 /nfs/dbraw/zinc/58/81/73/779588173.db2.gz VMHUDNCJKRVGAZ-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001111984005 779588235 /nfs/dbraw/zinc/58/82/35/779588235.db2.gz VMHUDNCJKRVGAZ-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111984005 779588241 /nfs/dbraw/zinc/58/82/41/779588241.db2.gz VMHUDNCJKRVGAZ-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001111984005 779588247 /nfs/dbraw/zinc/58/82/47/779588247.db2.gz VMHUDNCJKRVGAZ-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114985057 779804315 /nfs/dbraw/zinc/80/43/15/779804315.db2.gz WDPFACGSZGTMEM-VQFNDLOPSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC001119943344 781690328 /nfs/dbraw/zinc/69/03/28/781690328.db2.gz NMPKPVFGRRWDOI-PBHICJAKSA-N 2 1 306.454 1.230 20 30 DDEDMP C#CC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001271790471 844111168 /nfs/dbraw/zinc/11/11/68/844111168.db2.gz LGQSSGDGEQMMGQ-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001266469787 836309805 /nfs/dbraw/zinc/30/98/05/836309805.db2.gz RZUQHNIUBZZJQT-GJZGRUSLSA-N 2 1 302.422 1.392 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001266469787 836309818 /nfs/dbraw/zinc/30/98/18/836309818.db2.gz RZUQHNIUBZZJQT-GJZGRUSLSA-N 2 1 302.422 1.392 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001266469787 836309831 /nfs/dbraw/zinc/30/98/31/836309831.db2.gz RZUQHNIUBZZJQT-GJZGRUSLSA-N 2 1 302.422 1.392 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001266472069 836312389 /nfs/dbraw/zinc/31/23/89/836312389.db2.gz BVPPJUSWTUCSHM-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266472069 836312400 /nfs/dbraw/zinc/31/24/00/836312400.db2.gz BVPPJUSWTUCSHM-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266472069 836312413 /nfs/dbraw/zinc/31/24/13/836312413.db2.gz BVPPJUSWTUCSHM-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266472069 836312428 /nfs/dbraw/zinc/31/24/28/836312428.db2.gz BVPPJUSWTUCSHM-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266472069 836312440 /nfs/dbraw/zinc/31/24/40/836312440.db2.gz BVPPJUSWTUCSHM-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266548911 836449890 /nfs/dbraw/zinc/44/98/90/836449890.db2.gz JXARULPKZZRANP-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001267356278 837899076 /nfs/dbraw/zinc/89/90/76/837899076.db2.gz CLBBWUJPULRYDS-DLBZAZTESA-N 2 1 317.433 1.340 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001267356278 837899078 /nfs/dbraw/zinc/89/90/78/837899078.db2.gz CLBBWUJPULRYDS-DLBZAZTESA-N 2 1 317.433 1.340 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267567555 838321622 /nfs/dbraw/zinc/32/16/22/838321622.db2.gz CKKMKCQZMSNLBB-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001272020093 844336134 /nfs/dbraw/zinc/33/61/34/844336134.db2.gz GWABAWKSWZPQKC-INIZCTEOSA-N 2 1 319.453 1.756 20 30 DDEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001272020093 844336148 /nfs/dbraw/zinc/33/61/48/844336148.db2.gz GWABAWKSWZPQKC-INIZCTEOSA-N 2 1 319.453 1.756 20 30 DDEDMP C=C(C)C[NH+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001272020093 844336156 /nfs/dbraw/zinc/33/61/56/844336156.db2.gz GWABAWKSWZPQKC-INIZCTEOSA-N 2 1 319.453 1.756 20 30 DDEDMP C=C(C)C[NH+](C)CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001272020093 844336164 /nfs/dbraw/zinc/33/61/64/844336164.db2.gz GWABAWKSWZPQKC-INIZCTEOSA-N 2 1 319.453 1.756 20 30 DDEDMP C#CCC[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001267855602 839085147 /nfs/dbraw/zinc/08/51/47/839085147.db2.gz DUGDNTGIRMUJPW-AEFFLSMTSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001272042081 844415396 /nfs/dbraw/zinc/41/53/96/844415396.db2.gz ADKXDKQIKXSDLI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272042081 844415399 /nfs/dbraw/zinc/41/53/99/844415399.db2.gz ADKXDKQIKXSDLI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001268097510 839684271 /nfs/dbraw/zinc/68/42/71/839684271.db2.gz FOGSAXMANNLURL-DOTOQJQBSA-N 2 1 301.434 1.749 20 30 DDEDMP COCC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001268158390 839769141 /nfs/dbraw/zinc/76/91/41/839769141.db2.gz DKQVQWBMHGRVIH-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC[C@@H](C)F)CC1 ZINC001268259139 839908373 /nfs/dbraw/zinc/90/83/73/839908373.db2.gz IHFFOHWWRJQUDY-OAHLLOKOSA-N 2 1 311.445 1.470 20 30 DDEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001268911343 840982720 /nfs/dbraw/zinc/98/27/20/840982720.db2.gz LQSLCVOHKZIXTN-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269347817 841548740 /nfs/dbraw/zinc/54/87/40/841548740.db2.gz CDQDPQHCDZEZFI-KRWDZBQOSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269347817 841548747 /nfs/dbraw/zinc/54/87/47/841548747.db2.gz CDQDPQHCDZEZFI-KRWDZBQOSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001269403263 841606370 /nfs/dbraw/zinc/60/63/70/841606370.db2.gz UTUOATAOASSCDI-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccsc1 ZINC001269417162 841626418 /nfs/dbraw/zinc/62/64/18/841626418.db2.gz CYNRUBIMIJHNAW-CVEARBPZSA-N 2 1 319.474 1.830 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccsc1 ZINC001269417162 841626449 /nfs/dbraw/zinc/62/64/49/841626449.db2.gz CYNRUBIMIJHNAW-CVEARBPZSA-N 2 1 319.474 1.830 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001269460753 841659979 /nfs/dbraw/zinc/65/99/79/841659979.db2.gz KNJXWLAIHCJIGT-GJZGRUSLSA-N 2 1 302.422 1.262 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC=C(C)C ZINC001270066630 842265679 /nfs/dbraw/zinc/26/56/79/842265679.db2.gz LZTMFDGCVXOKNX-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC=C(C)C ZINC001270066630 842265685 /nfs/dbraw/zinc/26/56/85/842265685.db2.gz LZTMFDGCVXOKNX-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001270633583 842760770 /nfs/dbraw/zinc/76/07/70/842760770.db2.gz UUQPDYZEYCOIIJ-RHSMWYFYSA-N 2 1 320.437 1.372 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001270633583 842760774 /nfs/dbraw/zinc/76/07/74/842760774.db2.gz UUQPDYZEYCOIIJ-RHSMWYFYSA-N 2 1 320.437 1.372 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271210405 843416046 /nfs/dbraw/zinc/41/60/46/843416046.db2.gz RESQKGKPVVWMBJ-GOSISDBHSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154837593 861500775 /nfs/dbraw/zinc/50/07/75/861500775.db2.gz OTZLOFRBGQCHEN-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001154837593 861500783 /nfs/dbraw/zinc/50/07/83/861500783.db2.gz OTZLOFRBGQCHEN-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001154837593 861500793 /nfs/dbraw/zinc/50/07/93/861500793.db2.gz OTZLOFRBGQCHEN-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023582 861656513 /nfs/dbraw/zinc/65/65/13/861656513.db2.gz KMEVZZDYUPAYGT-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870185 847572069 /nfs/dbraw/zinc/57/20/69/847572069.db2.gz JYEWCPBLHDEIDB-IBGZPJMESA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034271255 848216263 /nfs/dbraw/zinc/21/62/63/848216263.db2.gz GCENRPVDXHBNHA-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034271255 848216269 /nfs/dbraw/zinc/21/62/69/848216269.db2.gz GCENRPVDXHBNHA-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271255 848216280 /nfs/dbraw/zinc/21/62/80/848216280.db2.gz GCENRPVDXHBNHA-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271255 848216290 /nfs/dbraw/zinc/21/62/90/848216290.db2.gz GCENRPVDXHBNHA-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001034287290 848260128 /nfs/dbraw/zinc/26/01/28/848260128.db2.gz GGKXVEAYHCDDJA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001034287290 848260138 /nfs/dbraw/zinc/26/01/38/848260138.db2.gz GGKXVEAYHCDDJA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034287290 848260150 /nfs/dbraw/zinc/26/01/50/848260150.db2.gz GGKXVEAYHCDDJA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034287290 848260156 /nfs/dbraw/zinc/26/01/56/848260156.db2.gz GGKXVEAYHCDDJA-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149984687 862008079 /nfs/dbraw/zinc/00/80/79/862008079.db2.gz XBOQYWYWMWGJNC-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149984687 862008092 /nfs/dbraw/zinc/00/80/92/862008092.db2.gz XBOQYWYWMWGJNC-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001273894758 851478383 /nfs/dbraw/zinc/47/83/83/851478383.db2.gz WFMBQYITCLSIDZ-AEFFLSMTSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001274318813 852154868 /nfs/dbraw/zinc/15/48/68/852154868.db2.gz SSCHIEDEBUTRRE-AWFCHZOYSA-N 2 1 316.449 1.982 20 30 DDEDMP C=C[C@@](C)(O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274616192 852446170 /nfs/dbraw/zinc/44/61/70/852446170.db2.gz HEUWEONCMACCGN-QZTJIDSGSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001151027405 862585679 /nfs/dbraw/zinc/58/56/79/862585679.db2.gz SAOCLDZDWJMMAT-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#Cc1cccc(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c1 ZINC001276096806 854761704 /nfs/dbraw/zinc/76/17/04/854761704.db2.gz OWXQVYCUUCWEJD-KDURUIRLSA-N 2 1 313.445 1.115 20 30 DDEDMP C#Cc1cccc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c1 ZINC001276096806 854761708 /nfs/dbraw/zinc/76/17/08/854761708.db2.gz OWXQVYCUUCWEJD-KDURUIRLSA-N 2 1 313.445 1.115 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001151307992 862721913 /nfs/dbraw/zinc/72/19/13/862721913.db2.gz ILDGLICWOGKVFS-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546764 856958766 /nfs/dbraw/zinc/95/87/66/856958766.db2.gz SQVSAYAAMALFNA-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072850208 857797503 /nfs/dbraw/zinc/79/75/03/857797503.db2.gz SKBKCQIEHBDMPU-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850208 857797508 /nfs/dbraw/zinc/79/75/08/857797508.db2.gz SKBKCQIEHBDMPU-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001072850208 857797513 /nfs/dbraw/zinc/79/75/13/857797513.db2.gz SKBKCQIEHBDMPU-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454585 858350621 /nfs/dbraw/zinc/35/06/21/858350621.db2.gz OIIUKZNNHPMKNI-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001328531536 863040138 /nfs/dbraw/zinc/04/01/38/863040138.db2.gz YPTUFACXINRUAQ-MRXNPFEDSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001328577385 863080766 /nfs/dbraw/zinc/08/07/66/863080766.db2.gz FIUMNWMOOYFZOZ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001328577385 863080781 /nfs/dbraw/zinc/08/07/81/863080781.db2.gz FIUMNWMOOYFZOZ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001328577385 863080796 /nfs/dbraw/zinc/08/07/96/863080796.db2.gz FIUMNWMOOYFZOZ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCCOC)CC1 ZINC001157092417 863569657 /nfs/dbraw/zinc/56/96/57/863569657.db2.gz XDUJVZIIEPGVQB-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@H]21 ZINC001157259782 863688714 /nfs/dbraw/zinc/68/87/14/863688714.db2.gz FYSXJGZMEHPIOK-CXAGYDPISA-N 2 1 311.433 1.519 20 30 DDEDMP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001329736082 863820367 /nfs/dbraw/zinc/82/03/67/863820367.db2.gz SIOXXUXLQICIMB-HZPDHXFCSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001329736082 863820375 /nfs/dbraw/zinc/82/03/75/863820375.db2.gz SIOXXUXLQICIMB-HZPDHXFCSA-N 2 1 311.470 1.356 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154013042 864316825 /nfs/dbraw/zinc/31/68/25/864316825.db2.gz RVHLQXYOAHEXQH-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001331471422 865106382 /nfs/dbraw/zinc/10/63/82/865106382.db2.gz ZRLWRTDUEAHOLA-RDJZCZTQSA-N 2 1 314.433 1.116 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccnc1 ZINC001331471422 865106387 /nfs/dbraw/zinc/10/63/87/865106387.db2.gz ZRLWRTDUEAHOLA-RDJZCZTQSA-N 2 1 314.433 1.116 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C/C(Cl)=C/Cl ZINC001160197605 865722043 /nfs/dbraw/zinc/72/20/43/865722043.db2.gz AJWXJXVVOWZTRN-UKVQZPPCSA-N 2 1 318.248 1.499 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C/C(Cl)=C/Cl ZINC001160197605 865722048 /nfs/dbraw/zinc/72/20/48/865722048.db2.gz AJWXJXVVOWZTRN-UKVQZPPCSA-N 2 1 318.248 1.499 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001160209318 865731586 /nfs/dbraw/zinc/73/15/86/865731586.db2.gz HQHHPVUOILHNLN-IRXDYDNUSA-N 2 1 307.482 1.862 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](C)CC(C)C ZINC001160209318 865731593 /nfs/dbraw/zinc/73/15/93/865731593.db2.gz HQHHPVUOILHNLN-IRXDYDNUSA-N 2 1 307.482 1.862 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001332312173 865751202 /nfs/dbraw/zinc/75/12/02/865751202.db2.gz WSRYUURJAJWHEN-HZPDHXFCSA-N 2 1 316.449 1.904 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001323642541 866744023 /nfs/dbraw/zinc/74/40/23/866744023.db2.gz NQFRDTUDUBICPD-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001320518436 866793900 /nfs/dbraw/zinc/79/39/00/866793900.db2.gz RUFHXLTVUMOZEK-SJLPKXTDSA-N 2 1 313.445 1.617 20 30 DDEDMP CC#CC[NH+](CCOC)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001323749150 866818449 /nfs/dbraw/zinc/81/84/49/866818449.db2.gz QNTYUBOIAKCAFF-UHFFFAOYSA-N 2 1 323.481 1.291 20 30 DDEDMP CC#CC[N@@H+](CCOC)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001323749150 866818463 /nfs/dbraw/zinc/81/84/63/866818463.db2.gz QNTYUBOIAKCAFF-UHFFFAOYSA-N 2 1 323.481 1.291 20 30 DDEDMP CC#CC[N@H+](CCOC)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001323749150 866818472 /nfs/dbraw/zinc/81/84/72/866818472.db2.gz QNTYUBOIAKCAFF-UHFFFAOYSA-N 2 1 323.481 1.291 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161947082 867128313 /nfs/dbraw/zinc/12/83/13/867128313.db2.gz XAARAJJHOHFQTO-UHFFFAOYSA-N 2 1 323.481 1.668 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161947082 867128318 /nfs/dbraw/zinc/12/83/18/867128318.db2.gz XAARAJJHOHFQTO-UHFFFAOYSA-N 2 1 323.481 1.668 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161947082 867128325 /nfs/dbraw/zinc/12/83/25/867128325.db2.gz XAARAJJHOHFQTO-UHFFFAOYSA-N 2 1 323.481 1.668 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)CC[N@H+](C)CC ZINC001162977362 867966354 /nfs/dbraw/zinc/96/63/54/867966354.db2.gz MTKNXONTSXGKJQ-UHFFFAOYSA-N 2 1 315.461 1.622 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001325562138 868138487 /nfs/dbraw/zinc/13/84/87/868138487.db2.gz RBHJHHAJXNUYQJ-CVEARBPZSA-N 2 1 307.482 1.672 20 30 DDEDMP Cc1cnc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c(C=NO)c1 ZINC001165173880 869415760 /nfs/dbraw/zinc/41/57/60/869415760.db2.gz YXNJHPCOUHGXGN-HNNXBMFYSA-N 2 1 303.410 1.057 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204069809 870917302 /nfs/dbraw/zinc/91/73/02/870917302.db2.gz VPUXZXGAEIFJLH-UHFFFAOYSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204069809 870917315 /nfs/dbraw/zinc/91/73/15/870917315.db2.gz VPUXZXGAEIFJLH-UHFFFAOYSA-N 2 1 301.434 1.885 20 30 DDEDMP CSc1nc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)ccc1C#N ZINC001205228968 871446577 /nfs/dbraw/zinc/44/65/77/871446577.db2.gz LAJMXJYFBGSRHN-HNNXBMFYSA-N 2 1 306.435 1.351 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317791801 871510509 /nfs/dbraw/zinc/51/05/09/871510509.db2.gz CVBVJTZGAQDXNW-CQSZACIVSA-N 2 1 318.421 1.201 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317791801 871510517 /nfs/dbraw/zinc/51/05/17/871510517.db2.gz CVBVJTZGAQDXNW-CQSZACIVSA-N 2 1 318.421 1.201 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC)C[C@H]2C)CC1 ZINC001311890460 871723385 /nfs/dbraw/zinc/72/33/85/871723385.db2.gz BMWAFEMCCLQXJD-OAHLLOKOSA-N 2 1 308.470 1.763 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316768652 871876759 /nfs/dbraw/zinc/87/67/59/871876759.db2.gz RKXDUWKBBSGPCU-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001319231150 872512106 /nfs/dbraw/zinc/51/21/06/872512106.db2.gz FBTGGHUPFBPZCL-DZGCQCFKSA-N 2 1 302.422 1.119 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001208415666 874124348 /nfs/dbraw/zinc/12/43/48/874124348.db2.gz QITVPTUPQDLFFM-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001208415666 874124356 /nfs/dbraw/zinc/12/43/56/874124356.db2.gz QITVPTUPQDLFFM-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208415666 874124365 /nfs/dbraw/zinc/12/43/65/874124365.db2.gz QITVPTUPQDLFFM-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001208415666 874124373 /nfs/dbraw/zinc/12/43/73/874124373.db2.gz QITVPTUPQDLFFM-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474438 874172412 /nfs/dbraw/zinc/17/24/12/874172412.db2.gz KWOMIFLNADIPLJ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209276640 874772330 /nfs/dbraw/zinc/77/23/30/874772330.db2.gz AMEZFYBHELTUCR-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427166 875384774 /nfs/dbraw/zinc/38/47/74/875384774.db2.gz PORCHUMSKRHBIP-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001379002652 876116204 /nfs/dbraw/zinc/11/62/04/876116204.db2.gz WIAYEBWTHXFZCA-ZIAGYGMSSA-N 2 1 301.862 1.811 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091698 879490346 /nfs/dbraw/zinc/49/03/46/879490346.db2.gz URGHPFVGDZIFSA-IKGGRYGDSA-N 2 1 323.481 1.234 20 30 DDEDMP COCC#CC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001227877303 883210715 /nfs/dbraw/zinc/21/07/15/883210715.db2.gz QJMBSRXCZYMBEX-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001277360225 883846186 /nfs/dbraw/zinc/84/61/86/883846186.db2.gz QVCPQVWNYGCJMF-IKGGRYGDSA-N 2 1 323.481 1.595 20 30 DDEDMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3C#N)CC2)CC1 ZINC001362568153 884113408 /nfs/dbraw/zinc/11/34/08/884113408.db2.gz HWWZNEAQZDWEGY-GDBMZVCRSA-N 2 1 304.438 1.165 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001230618965 884658638 /nfs/dbraw/zinc/65/86/38/884658638.db2.gz UHBBXSGLILECSF-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618965 884658655 /nfs/dbraw/zinc/65/86/55/884658655.db2.gz UHBBXSGLILECSF-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001230618965 884658671 /nfs/dbraw/zinc/65/86/71/884658671.db2.gz UHBBXSGLILECSF-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CN(CCC#N)c1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1 ZINC001234986766 888301187 /nfs/dbraw/zinc/30/11/87/888301187.db2.gz FFICCTUFHDLMHE-GOSISDBHSA-N 2 1 313.449 1.174 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277939822 888587336 /nfs/dbraw/zinc/58/73/36/888587336.db2.gz ABDVXXLQDWYUOJ-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277982836 889229687 /nfs/dbraw/zinc/22/96/87/889229687.db2.gz YDDQHAONSVMQRP-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278146238 889844859 /nfs/dbraw/zinc/84/48/59/889844859.db2.gz FBHINWVBPVCWPH-HOCLYGCPSA-N 2 1 316.449 1.022 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278146238 889844869 /nfs/dbraw/zinc/84/48/69/889844869.db2.gz FBHINWVBPVCWPH-HOCLYGCPSA-N 2 1 316.449 1.022 20 30 DDEDMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278146241 889845560 /nfs/dbraw/zinc/84/55/60/889845560.db2.gz FBHINWVBPVCWPH-ZBFHGGJFSA-N 2 1 316.449 1.022 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C[C@H]3C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278146241 889845566 /nfs/dbraw/zinc/84/55/66/889845566.db2.gz FBHINWVBPVCWPH-ZBFHGGJFSA-N 2 1 316.449 1.022 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001366177330 892660584 /nfs/dbraw/zinc/66/05/84/892660584.db2.gz GVRMVHRTXSCQMH-HIFRSBDPSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366177330 892660590 /nfs/dbraw/zinc/66/05/90/892660590.db2.gz GVRMVHRTXSCQMH-HIFRSBDPSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001366177330 892660595 /nfs/dbraw/zinc/66/05/95/892660595.db2.gz GVRMVHRTXSCQMH-HIFRSBDPSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001366177330 892660599 /nfs/dbraw/zinc/66/05/99/892660599.db2.gz GVRMVHRTXSCQMH-HIFRSBDPSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278466321 892906488 /nfs/dbraw/zinc/90/64/88/892906488.db2.gz IAEVPEPKQXHXQV-JFIYKMOQSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001278485643 893188874 /nfs/dbraw/zinc/18/88/74/893188874.db2.gz BIRMUHMHBGCBKE-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001278493862 893383660 /nfs/dbraw/zinc/38/36/60/893383660.db2.gz MLFBACIBZPPSSF-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)c(F)c1 ZINC001366559810 894033637 /nfs/dbraw/zinc/03/36/37/894033637.db2.gz MRSYURVCSXUVBJ-MRXNPFEDSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001366559810 894033656 /nfs/dbraw/zinc/03/36/56/894033656.db2.gz MRSYURVCSXUVBJ-MRXNPFEDSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC001366559810 894033674 /nfs/dbraw/zinc/03/36/74/894033674.db2.gz MRSYURVCSXUVBJ-MRXNPFEDSA-N 2 1 318.396 1.340 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001252483366 895203645 /nfs/dbraw/zinc/20/36/45/895203645.db2.gz UBKNGVAHDMUXSH-GOSISDBHSA-N 2 1 320.433 1.172 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+]C1CCN(c2[nH+]cccc2C)CC1 ZINC001252488425 895207607 /nfs/dbraw/zinc/20/76/07/895207607.db2.gz MNDKEWCQRPVEFZ-MRXNPFEDSA-N 2 1 305.422 1.512 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001252551533 895266667 /nfs/dbraw/zinc/26/66/67/895266667.db2.gz VNBBEKZUWVAJBU-QAPCUYQASA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001252551533 895266679 /nfs/dbraw/zinc/26/66/79/895266679.db2.gz VNBBEKZUWVAJBU-QAPCUYQASA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001253577055 895905863 /nfs/dbraw/zinc/90/58/63/895905863.db2.gz JWGQMUVZVRAWGE-MRXNPFEDSA-N 2 1 304.438 1.397 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001253577055 895905875 /nfs/dbraw/zinc/90/58/75/895905875.db2.gz JWGQMUVZVRAWGE-MRXNPFEDSA-N 2 1 304.438 1.397 20 30 DDEDMP C=C[C@H](O)C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001253604989 895926516 /nfs/dbraw/zinc/92/65/16/895926516.db2.gz NZQILVDUTQGGNA-BZSNNMDCSA-N 2 1 307.482 1.462 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278787097 896464592 /nfs/dbraw/zinc/46/45/92/896464592.db2.gz NOFABOWSVSKJCH-MAUKXSAKSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278787097 896464598 /nfs/dbraw/zinc/46/45/98/896464598.db2.gz NOFABOWSVSKJCH-MAUKXSAKSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278787097 896464603 /nfs/dbraw/zinc/46/46/03/896464603.db2.gz NOFABOWSVSKJCH-MAUKXSAKSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001367387674 896634397 /nfs/dbraw/zinc/63/43/97/896634397.db2.gz RYLNUDNBWCOYNU-JSGCOSHPSA-N 2 1 324.856 1.943 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC001255362307 896863119 /nfs/dbraw/zinc/86/31/19/896863119.db2.gz CLEWKRCMIBKAGO-JYJNAYRXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC001255362307 896863133 /nfs/dbraw/zinc/86/31/33/896863133.db2.gz CLEWKRCMIBKAGO-JYJNAYRXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC001255362307 896863148 /nfs/dbraw/zinc/86/31/48/896863148.db2.gz CLEWKRCMIBKAGO-JYJNAYRXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC001255362307 896863161 /nfs/dbraw/zinc/86/31/61/896863161.db2.gz CLEWKRCMIBKAGO-JYJNAYRXSA-N 2 1 306.454 1.208 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369308122 901027444 /nfs/dbraw/zinc/02/74/44/901027444.db2.gz SDWYVMRHHQNMGJ-NEPJUHHUSA-N 2 1 318.259 1.283 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001265911004 902582185 /nfs/dbraw/zinc/58/21/85/902582185.db2.gz YCOZCPJAMIDFDR-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266023226 902776005 /nfs/dbraw/zinc/77/60/05/902776005.db2.gz HZBXCJWDABZXLY-INIZCTEOSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCOC)CC1 ZINC001280747002 903979886 /nfs/dbraw/zinc/97/98/86/903979886.db2.gz NAYSIVXOJQHFAE-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCOC)CC1 ZINC001280747002 903979900 /nfs/dbraw/zinc/97/99/00/903979900.db2.gz NAYSIVXOJQHFAE-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCOC)CC1 ZINC001280747002 903979914 /nfs/dbraw/zinc/97/99/14/903979914.db2.gz NAYSIVXOJQHFAE-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCOC)CC1 ZINC001280747002 903979925 /nfs/dbraw/zinc/97/99/25/903979925.db2.gz NAYSIVXOJQHFAE-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001280777274 904020923 /nfs/dbraw/zinc/02/09/23/904020923.db2.gz PUDVDUQRNHHZOS-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001281940158 905330987 /nfs/dbraw/zinc/33/09/87/905330987.db2.gz PNDCCJRULKNCNU-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001281940158 905331006 /nfs/dbraw/zinc/33/10/06/905331006.db2.gz PNDCCJRULKNCNU-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001281940158 905331025 /nfs/dbraw/zinc/33/10/25/905331025.db2.gz PNDCCJRULKNCNU-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001281940157 905332118 /nfs/dbraw/zinc/33/21/18/905332118.db2.gz PNDCCJRULKNCNU-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001281940157 905332129 /nfs/dbraw/zinc/33/21/29/905332129.db2.gz PNDCCJRULKNCNU-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CCC ZINC001281940157 905332147 /nfs/dbraw/zinc/33/21/47/905332147.db2.gz PNDCCJRULKNCNU-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001283344231 907182977 /nfs/dbraw/zinc/18/29/77/907182977.db2.gz OEKWXUJJNLCERN-HZPDHXFCSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001283507272 907491104 /nfs/dbraw/zinc/49/11/04/907491104.db2.gz LFSPPYOCZIFCKV-FRGIFYTLSA-N 2 1 323.868 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001283507272 907491114 /nfs/dbraw/zinc/49/11/14/907491114.db2.gz LFSPPYOCZIFCKV-FRGIFYTLSA-N 2 1 323.868 1.663 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001376526594 918691418 /nfs/dbraw/zinc/69/14/18/918691418.db2.gz JGHQHDBWPFPYFP-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001376526594 918691429 /nfs/dbraw/zinc/69/14/29/918691429.db2.gz JGHQHDBWPFPYFP-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001376526594 918691448 /nfs/dbraw/zinc/69/14/48/918691448.db2.gz JGHQHDBWPFPYFP-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001376526594 918691460 /nfs/dbraw/zinc/69/14/60/918691460.db2.gz JGHQHDBWPFPYFP-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330199130 529865135 /nfs/dbraw/zinc/86/51/35/529865135.db2.gz UYOSSHCVPONYNV-AWEZNQCLSA-N 2 1 305.426 1.386 20 30 DDEDMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092806264 353870876 /nfs/dbraw/zinc/87/08/76/353870876.db2.gz KSOJAJPNWOUCQW-OAHLLOKOSA-N 2 1 306.454 1.697 20 30 DDEDMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092806264 353870878 /nfs/dbraw/zinc/87/08/78/353870878.db2.gz KSOJAJPNWOUCQW-OAHLLOKOSA-N 2 1 306.454 1.697 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422116 781930970 /nfs/dbraw/zinc/93/09/70/781930970.db2.gz JODWMHMMOCVQBN-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)Cc1ccc(F)cc1 ZINC000594439113 356214849 /nfs/dbraw/zinc/21/48/49/356214849.db2.gz OHPMCXLNHGENKL-MRXNPFEDSA-N 2 1 320.412 1.785 20 30 DDEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000599298514 357882082 /nfs/dbraw/zinc/88/20/82/357882082.db2.gz ULUMSEQSYGJOIP-SJORKVTESA-N 2 1 321.465 1.475 20 30 DDEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432159 357933402 /nfs/dbraw/zinc/93/34/02/357933402.db2.gz KCHUNJJDYAPFHK-WMZOPIPTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432159 357933408 /nfs/dbraw/zinc/93/34/08/357933408.db2.gz KCHUNJJDYAPFHK-WMZOPIPTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432159 357933412 /nfs/dbraw/zinc/93/34/12/357933412.db2.gz KCHUNJJDYAPFHK-WMZOPIPTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[C@H](C[NH2+]Cc1cccc(F)c1C#N)CN1CC[NH+](C)CC1 ZINC000601998354 358771004 /nfs/dbraw/zinc/77/10/04/358771004.db2.gz FFQZATPCTCNQDD-CQSZACIVSA-N 2 1 304.413 1.670 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000602551499 359041596 /nfs/dbraw/zinc/04/15/96/359041596.db2.gz OROYMFXNPHGYIC-SJORKVTESA-N 2 1 323.481 1.912 20 30 DDEDMP C[C@H](CCC#N)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000602660124 359106546 /nfs/dbraw/zinc/10/65/46/359106546.db2.gz YWOAXJXDMRBUMG-OAHLLOKOSA-N 2 1 306.454 1.412 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000610994011 360594987 /nfs/dbraw/zinc/59/49/87/360594987.db2.gz RAMRQGQEWGQLGC-GOSISDBHSA-N 2 1 313.449 1.554 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000610994011 360594990 /nfs/dbraw/zinc/59/49/90/360594990.db2.gz RAMRQGQEWGQLGC-GOSISDBHSA-N 2 1 313.449 1.554 20 30 DDEDMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424159763 532989975 /nfs/dbraw/zinc/98/99/75/532989975.db2.gz AJWUVZNRBYPAJZ-CABCVRRESA-N 2 1 316.405 1.189 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123595657 407333646 /nfs/dbraw/zinc/33/36/46/407333646.db2.gz LGMSPFIIXRQZDG-PVAVHDDUSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123595657 407333647 /nfs/dbraw/zinc/33/36/47/407333647.db2.gz LGMSPFIIXRQZDG-PVAVHDDUSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000123595657 407333649 /nfs/dbraw/zinc/33/36/49/407333649.db2.gz LGMSPFIIXRQZDG-PVAVHDDUSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000123595657 407333650 /nfs/dbraw/zinc/33/36/50/407333650.db2.gz LGMSPFIIXRQZDG-PVAVHDDUSA-N 2 1 317.433 1.712 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000104153972 407348637 /nfs/dbraw/zinc/34/86/37/407348637.db2.gz KEZLZZBAUQXPDY-ZDUSSCGKSA-N 2 1 306.410 1.915 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCOCC1 ZINC000178564788 407494377 /nfs/dbraw/zinc/49/43/77/407494377.db2.gz TWVPNCQNYWJGKU-AWEZNQCLSA-N 2 1 320.437 1.068 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000171729482 407750799 /nfs/dbraw/zinc/75/07/99/407750799.db2.gz NCLRTQZYWXFHDM-AWEZNQCLSA-N 2 1 319.453 1.777 20 30 DDEDMP CN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC3CC3)cc2)CC1 ZINC000161495580 408607373 /nfs/dbraw/zinc/60/73/73/408607373.db2.gz TTXOYXHFYLRHJF-UHFFFAOYSA-N 2 1 301.438 1.001 20 30 DDEDMP CN1CC[NH+]=C1NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000285176762 409402879 /nfs/dbraw/zinc/40/28/79/409402879.db2.gz UNVDZNZVPCEBNN-UHFFFAOYSA-N 2 1 315.465 1.085 20 30 DDEDMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442020 409965243 /nfs/dbraw/zinc/96/52/43/409965243.db2.gz ZELQPXDRUZPWOW-HUUCEWRRSA-N 2 1 306.454 1.601 20 30 DDEDMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000358871534 410537303 /nfs/dbraw/zinc/53/73/03/410537303.db2.gz KLKFWMZXKMXYKR-HOTGVXAUSA-N 2 1 309.454 1.880 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346088 422968838 /nfs/dbraw/zinc/96/88/38/422968838.db2.gz TYEPUQMJHVHRON-GVDBMIGSSA-N 2 1 321.465 1.405 20 30 DDEDMP CC[NH+]=C(NCc1cc(C)no1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261982007 222266243 /nfs/dbraw/zinc/26/62/43/222266243.db2.gz PARPGZACTMDDJA-NHYWBVRUSA-N 2 1 305.426 1.521 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N1CC[NH+](CC(C)C)CC1 ZINC000262352129 222276878 /nfs/dbraw/zinc/27/68/78/222276878.db2.gz FIQFJEBEPLTCLO-ARFHVFGLSA-N 2 1 322.497 1.649 20 30 DDEDMP C=C(Br)CNC(N[C@@H]1CC[N@@H+](C2CC2)C1)=[NH+]CC ZINC000262742659 222290902 /nfs/dbraw/zinc/29/09/02/222290902.db2.gz FAKDYRNFWHHWEG-LLVKDONJSA-N 2 1 315.259 1.687 20 30 DDEDMP C=C(Br)CNC(N[C@@H]1CC[N@H+](C2CC2)C1)=[NH+]CC ZINC000262742659 222290904 /nfs/dbraw/zinc/29/09/04/222290904.db2.gz FAKDYRNFWHHWEG-LLVKDONJSA-N 2 1 315.259 1.687 20 30 DDEDMP C[NH+]=C(NCc1cccc2c1OCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262836612 222296950 /nfs/dbraw/zinc/29/69/50/222296950.db2.gz WINLSSWFGXFVNL-ZDUSSCGKSA-N 2 1 316.405 1.317 20 30 DDEDMP C[NH+]=C(NCc1cccc2c1OCO2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262836612 222296953 /nfs/dbraw/zinc/29/69/53/222296953.db2.gz WINLSSWFGXFVNL-ZDUSSCGKSA-N 2 1 316.405 1.317 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NCCn2cc[nH+]c2C)cc1OC ZINC000264063910 222312735 /nfs/dbraw/zinc/31/27/35/222312735.db2.gz AKNRCCDHJOXLNZ-UHFFFAOYSA-N 2 1 317.393 1.313 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(OCC#N)cc1 ZINC000266892769 222364445 /nfs/dbraw/zinc/36/44/45/222364445.db2.gz DEPCAVBOSMRPSS-UHFFFAOYSA-N 2 1 316.449 1.658 20 30 DDEDMP Cc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1C ZINC000267449612 222385162 /nfs/dbraw/zinc/38/51/62/222385162.db2.gz QXLFJININDMCGS-ZDUSSCGKSA-N 2 1 304.438 1.998 20 30 DDEDMP C=CCN1CC[C@@H]([NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)C1=O ZINC000375613164 418662277 /nfs/dbraw/zinc/66/22/77/418662277.db2.gz QBTQOXVMIRNUFL-NVXWUHKLSA-N 2 1 317.477 1.970 20 30 DDEDMP COc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1C#N ZINC000440635592 420591417 /nfs/dbraw/zinc/59/14/17/420591417.db2.gz JGXCODHANBCNBF-UHFFFAOYSA-N 2 1 303.406 1.503 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000583930255 422220454 /nfs/dbraw/zinc/22/04/54/422220454.db2.gz VXVBSHNDVNAUHS-DJIMGWMZSA-N 2 1 317.433 1.565 20 30 DDEDMP Cc1ccc(NCCCNC(=O)[C@@H]([NH3+])CCCCC#N)[nH+]c1 ZINC000594439207 422347644 /nfs/dbraw/zinc/34/76/44/422347644.db2.gz TZJNPGDDEKQJPE-AWEZNQCLSA-N 2 1 303.410 1.720 20 30 DDEDMP Cc1ccc(C#N)c(N2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000374253349 267375533 /nfs/dbraw/zinc/37/55/33/267375533.db2.gz HSTJXGAIQCGMLS-HNNXBMFYSA-N 2 1 313.449 1.866 20 30 DDEDMP Cc1ccc(C#N)c(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)n1 ZINC000374253349 267375539 /nfs/dbraw/zinc/37/55/39/267375539.db2.gz HSTJXGAIQCGMLS-HNNXBMFYSA-N 2 1 313.449 1.866 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(COC)cc1 ZINC000264136794 276184322 /nfs/dbraw/zinc/18/43/22/276184322.db2.gz ZYHDLIXNRCTXOR-INIZCTEOSA-N 2 1 304.438 1.722 20 30 DDEDMP CC1(C)C[NH+](CC#CC[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000342161615 278327822 /nfs/dbraw/zinc/32/78/22/278327822.db2.gz JHVZVFYOZXWMGJ-HOTGVXAUSA-N 2 1 308.466 1.175 20 30 DDEDMP CC1(C)C[NH+](CC#CC[N@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000342161615 278327824 /nfs/dbraw/zinc/32/78/24/278327824.db2.gz JHVZVFYOZXWMGJ-HOTGVXAUSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000089676098 281022820 /nfs/dbraw/zinc/02/28/20/281022820.db2.gz OSEPWRRBHBQEJB-AWEZNQCLSA-N 2 1 318.425 1.246 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000089676098 281022821 /nfs/dbraw/zinc/02/28/21/281022821.db2.gz OSEPWRRBHBQEJB-AWEZNQCLSA-N 2 1 318.425 1.246 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2F)CC1 ZINC000565535670 341530407 /nfs/dbraw/zinc/53/04/07/341530407.db2.gz XRWATHLBWJITAB-KRWDZBQOSA-N 2 1 322.424 1.943 20 30 DDEDMP CC[NH+](CC#CC[N@H+](CC)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000671240148 484977183 /nfs/dbraw/zinc/97/71/83/484977183.db2.gz MYEGFPVJOBPWGW-QZTJIDSGSA-N 2 1 308.466 1.707 20 30 DDEDMP C#CCNC(=O)CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000491782683 526975095 /nfs/dbraw/zinc/97/50/95/526975095.db2.gz IUDMKDPMAMGZRK-UHFFFAOYSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980238334 696715963 /nfs/dbraw/zinc/71/59/63/696715963.db2.gz KADDSMIKIJZYDX-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980238334 696715965 /nfs/dbraw/zinc/71/59/65/696715965.db2.gz KADDSMIKIJZYDX-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000971678860 695060616 /nfs/dbraw/zinc/06/06/16/695060616.db2.gz PJTSPODLKHLNMM-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000971678860 695060619 /nfs/dbraw/zinc/06/06/19/695060619.db2.gz PJTSPODLKHLNMM-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977615448 696235357 /nfs/dbraw/zinc/23/53/57/696235357.db2.gz MHKYNSYMFOJANF-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977615448 696235360 /nfs/dbraw/zinc/23/53/60/696235360.db2.gz MHKYNSYMFOJANF-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977615448 696235362 /nfs/dbraw/zinc/23/53/62/696235362.db2.gz MHKYNSYMFOJANF-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977615448 696235365 /nfs/dbraw/zinc/23/53/65/696235365.db2.gz MHKYNSYMFOJANF-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978471824 696387969 /nfs/dbraw/zinc/38/79/69/696387969.db2.gz QFIOMKGRZDXETP-OSYLJGHBSA-N 2 1 308.385 1.265 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978971531 696481381 /nfs/dbraw/zinc/48/13/81/696481381.db2.gz JEERQICEDLPWCG-MKZZRHPPSA-N 2 1 312.417 1.079 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979081851 696493145 /nfs/dbraw/zinc/49/31/45/696493145.db2.gz WNJBSNPXTZPDHH-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979081851 696493147 /nfs/dbraw/zinc/49/31/47/696493147.db2.gz WNJBSNPXTZPDHH-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979081851 696493148 /nfs/dbraw/zinc/49/31/48/696493148.db2.gz WNJBSNPXTZPDHH-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccccc1 ZINC000104192517 696619597 /nfs/dbraw/zinc/61/95/97/696619597.db2.gz HKSLMEGGWNRRBF-MRXNPFEDSA-N 2 1 304.438 1.244 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000981816246 696928706 /nfs/dbraw/zinc/92/87/06/696928706.db2.gz SLFANHJCYBAGBU-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981816246 696928709 /nfs/dbraw/zinc/92/87/09/696928709.db2.gz SLFANHJCYBAGBU-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981816246 696928711 /nfs/dbraw/zinc/92/87/11/696928711.db2.gz SLFANHJCYBAGBU-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982151523 697043699 /nfs/dbraw/zinc/04/36/99/697043699.db2.gz FECWYJCTOPVZEC-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982151523 697043701 /nfs/dbraw/zinc/04/37/01/697043701.db2.gz FECWYJCTOPVZEC-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982151523 697043704 /nfs/dbraw/zinc/04/37/04/697043704.db2.gz FECWYJCTOPVZEC-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP COc1cccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303773792 698606511 /nfs/dbraw/zinc/60/65/11/698606511.db2.gz FMTWSBDYUOZKIX-OKILXGFUSA-N 2 1 320.437 1.921 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000804566528 701201598 /nfs/dbraw/zinc/20/15/98/701201598.db2.gz UAWITMKWAAVFEZ-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000819284505 704100831 /nfs/dbraw/zinc/10/08/31/704100831.db2.gz RWMLLUNHHRIMSS-LJQANCHMSA-N 2 1 313.445 1.628 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852859524 704150700 /nfs/dbraw/zinc/15/07/00/704150700.db2.gz WDPMTJPCDDJZSV-CALCHBBNSA-N 2 1 319.493 1.864 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000853115108 704199823 /nfs/dbraw/zinc/19/98/23/704199823.db2.gz DUUAPEOQJBYOQC-ROUUACIJSA-N 2 1 315.417 1.435 20 30 DDEDMP CC(C)(O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](C(C)(C)O)C2)C1 ZINC000880147341 706892217 /nfs/dbraw/zinc/89/22/17/706892217.db2.gz COZIZQIQKHJFCZ-HZPDHXFCSA-N 2 1 308.466 1.175 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000836249834 707425159 /nfs/dbraw/zinc/42/51/59/707425159.db2.gz RHGJDOVZHQGVDS-MRXNPFEDSA-N 2 1 322.497 1.751 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000836249834 707425163 /nfs/dbraw/zinc/42/51/63/707425163.db2.gz RHGJDOVZHQGVDS-MRXNPFEDSA-N 2 1 322.497 1.751 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000883131263 707935330 /nfs/dbraw/zinc/93/53/30/707935330.db2.gz SISMZRUDZPEQSN-UHFFFAOYSA-N 2 1 313.445 1.967 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000883131263 707935334 /nfs/dbraw/zinc/93/53/34/707935334.db2.gz SISMZRUDZPEQSN-UHFFFAOYSA-N 2 1 313.445 1.967 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000884454092 708303174 /nfs/dbraw/zinc/30/31/74/708303174.db2.gz FPIGQLMPBBHSEV-YESZJQIVSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000884454092 708303178 /nfs/dbraw/zinc/30/31/78/708303178.db2.gz FPIGQLMPBBHSEV-YESZJQIVSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000884454092 708303182 /nfs/dbraw/zinc/30/31/82/708303182.db2.gz FPIGQLMPBBHSEV-YESZJQIVSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000884454092 708303186 /nfs/dbraw/zinc/30/31/86/708303186.db2.gz FPIGQLMPBBHSEV-YESZJQIVSA-N 2 1 318.465 1.400 20 30 DDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CCC1(C)C ZINC000884465168 708307410 /nfs/dbraw/zinc/30/74/10/708307410.db2.gz QGAHHTMWRISCTG-UUCFBXCCSA-N 2 1 304.438 1.068 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000899506154 709102127 /nfs/dbraw/zinc/10/21/27/709102127.db2.gz JIRBVELJBZDFOB-INIZCTEOSA-N 2 1 314.433 1.830 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000900022058 709269913 /nfs/dbraw/zinc/26/99/13/709269913.db2.gz RUTMYMKYSDYVAG-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000890368875 709842268 /nfs/dbraw/zinc/84/22/68/709842268.db2.gz NUBFMKOMFJNLGD-IXDOHACOSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000890368875 709842272 /nfs/dbraw/zinc/84/22/72/709842272.db2.gz NUBFMKOMFJNLGD-IXDOHACOSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000890368875 709842276 /nfs/dbraw/zinc/84/22/76/709842276.db2.gz NUBFMKOMFJNLGD-IXDOHACOSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000890368875 709842278 /nfs/dbraw/zinc/84/22/78/709842278.db2.gz NUBFMKOMFJNLGD-IXDOHACOSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000890370880 709843296 /nfs/dbraw/zinc/84/32/96/709843296.db2.gz IAXKPEPFPIVQNF-PMPSAXMXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000890370880 709843302 /nfs/dbraw/zinc/84/33/02/709843302.db2.gz IAXKPEPFPIVQNF-PMPSAXMXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000890370880 709843305 /nfs/dbraw/zinc/84/33/05/709843305.db2.gz IAXKPEPFPIVQNF-PMPSAXMXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000890370880 709843313 /nfs/dbraw/zinc/84/33/13/709843313.db2.gz IAXKPEPFPIVQNF-PMPSAXMXSA-N 2 1 306.454 1.208 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912029860 711133281 /nfs/dbraw/zinc/13/32/81/711133281.db2.gz QTJZGRBHTFHMOT-MRXNPFEDSA-N 2 1 323.481 1.821 20 30 DDEDMP C=C(C)C[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905455579 712042352 /nfs/dbraw/zinc/04/23/52/712042352.db2.gz ZLWZXEIRDZDRPF-ROUUACIJSA-N 2 1 304.434 1.540 20 30 DDEDMP C=C(C)C[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905455579 712042353 /nfs/dbraw/zinc/04/23/53/712042353.db2.gz ZLWZXEIRDZDRPF-ROUUACIJSA-N 2 1 304.434 1.540 20 30 DDEDMP CCN1CCC([N@H+]2CCCN(C[C@H](C#N)CCC#N)CC2)CC1 ZINC000930752075 713911294 /nfs/dbraw/zinc/91/12/94/713911294.db2.gz RQFYSJUCLMOBMZ-KRWDZBQOSA-N 2 1 317.481 1.922 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432663 714095794 /nfs/dbraw/zinc/09/57/94/714095794.db2.gz ZAGHELKHQPBBFA-JYYAWHABSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432663 714095797 /nfs/dbraw/zinc/09/57/97/714095797.db2.gz ZAGHELKHQPBBFA-JYYAWHABSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432663 714095800 /nfs/dbraw/zinc/09/58/00/714095800.db2.gz ZAGHELKHQPBBFA-JYYAWHABSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432663 714095801 /nfs/dbraw/zinc/09/58/01/714095801.db2.gz ZAGHELKHQPBBFA-JYYAWHABSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432663 714095804 /nfs/dbraw/zinc/09/58/04/714095804.db2.gz ZAGHELKHQPBBFA-JYYAWHABSA-N 2 1 306.454 1.313 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923367320 714329471 /nfs/dbraw/zinc/32/94/71/714329471.db2.gz SMVMDZCQOHWIGS-FUHWJXTLSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923367320 714329475 /nfs/dbraw/zinc/32/94/75/714329475.db2.gz SMVMDZCQOHWIGS-FUHWJXTLSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000923565276 714407366 /nfs/dbraw/zinc/40/73/66/714407366.db2.gz FEWMARKVDXOPKX-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000923565276 714407367 /nfs/dbraw/zinc/40/73/67/714407367.db2.gz FEWMARKVDXOPKX-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000923565276 714407368 /nfs/dbraw/zinc/40/73/68/714407368.db2.gz FEWMARKVDXOPKX-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000923565276 714407369 /nfs/dbraw/zinc/40/73/69/714407369.db2.gz FEWMARKVDXOPKX-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000924035613 714512434 /nfs/dbraw/zinc/51/24/34/714512434.db2.gz JOLFIUMDTNFXKO-CQSZACIVSA-N 2 1 315.421 1.044 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000924035613 714512436 /nfs/dbraw/zinc/51/24/36/714512436.db2.gz JOLFIUMDTNFXKO-CQSZACIVSA-N 2 1 315.421 1.044 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940835882 716983217 /nfs/dbraw/zinc/98/32/17/716983217.db2.gz FQJOQGXHRDKWJH-MRXNPFEDSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000961568681 717008119 /nfs/dbraw/zinc/00/81/19/717008119.db2.gz VDTQIYXPZKYJPK-NCOADZHNSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961568681 717008122 /nfs/dbraw/zinc/00/81/22/717008122.db2.gz VDTQIYXPZKYJPK-NCOADZHNSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961568681 717008126 /nfs/dbraw/zinc/00/81/26/717008126.db2.gz VDTQIYXPZKYJPK-NCOADZHNSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000961958649 717260603 /nfs/dbraw/zinc/26/06/03/717260603.db2.gz NHJCQTRSKXKARC-MWDXBVQZSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](F)CC)C[C@H]32)CC1 ZINC000962769921 717581047 /nfs/dbraw/zinc/58/10/47/717581047.db2.gz FLSKAFDQLKIJEW-NCOADZHNSA-N 2 1 321.440 1.126 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942302013 717606531 /nfs/dbraw/zinc/60/65/31/717606531.db2.gz IDAPLBHJWVUYBZ-WMLDXEAASA-N 2 1 310.401 1.798 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000965916027 717814166 /nfs/dbraw/zinc/81/41/66/717814166.db2.gz MSOHFUKYEKGBAV-UHFFFAOYSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755345 718183942 /nfs/dbraw/zinc/18/39/42/718183942.db2.gz CEUPTLWCXCZTKU-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779644 718906894 /nfs/dbraw/zinc/90/68/94/718906894.db2.gz RXVSIZLOFWATDH-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779644 718906896 /nfs/dbraw/zinc/90/68/96/718906896.db2.gz RXVSIZLOFWATDH-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779644 718906897 /nfs/dbraw/zinc/90/68/97/718906897.db2.gz RXVSIZLOFWATDH-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000947796796 719272375 /nfs/dbraw/zinc/27/23/75/719272375.db2.gz RWUFDGCEWMLQDJ-HOCLYGCPSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857485 719291150 /nfs/dbraw/zinc/29/11/50/719291150.db2.gz LZMUFAPNFGUFOK-HOCLYGCPSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC000947857485 719291153 /nfs/dbraw/zinc/29/11/53/719291153.db2.gz LZMUFAPNFGUFOK-HOCLYGCPSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CC=C)CC1 ZINC000948449875 719505563 /nfs/dbraw/zinc/50/55/63/719505563.db2.gz XYXHQHOBEYDRPN-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CC=C)CC1 ZINC000948449875 719505564 /nfs/dbraw/zinc/50/55/64/719505564.db2.gz XYXHQHOBEYDRPN-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC=C)CC1 ZINC000948449875 719505566 /nfs/dbraw/zinc/50/55/66/719505566.db2.gz XYXHQHOBEYDRPN-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CC=C)CC1 ZINC000948449875 719505568 /nfs/dbraw/zinc/50/55/68/719505568.db2.gz XYXHQHOBEYDRPN-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000948770981 719698191 /nfs/dbraw/zinc/69/81/91/719698191.db2.gz LMBNSCWPRDHHNZ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000948770981 719698193 /nfs/dbraw/zinc/69/81/93/719698193.db2.gz LMBNSCWPRDHHNZ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000948770981 719698197 /nfs/dbraw/zinc/69/81/97/719698197.db2.gz LMBNSCWPRDHHNZ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014298 719924078 /nfs/dbraw/zinc/92/40/78/719924078.db2.gz WREHPOLUOMMXJC-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970027529 720603850 /nfs/dbraw/zinc/60/38/50/720603850.db2.gz NZXHNBAMZBENFZ-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970325593 720710940 /nfs/dbraw/zinc/71/09/40/720710940.db2.gz HUETVWKBFAXWBK-ZBFHGGJFSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970325593 720710941 /nfs/dbraw/zinc/71/09/41/720710941.db2.gz HUETVWKBFAXWBK-ZBFHGGJFSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971538570 721347986 /nfs/dbraw/zinc/34/79/86/721347986.db2.gz FBTRILVESAXFME-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971538570 721347989 /nfs/dbraw/zinc/34/79/89/721347989.db2.gz FBTRILVESAXFME-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971538570 721347990 /nfs/dbraw/zinc/34/79/90/721347990.db2.gz FBTRILVESAXFME-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972672831 735456775 /nfs/dbraw/zinc/45/67/75/735456775.db2.gz AWFDIFQFQBTFMO-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972672831 735456778 /nfs/dbraw/zinc/45/67/78/735456778.db2.gz AWFDIFQFQBTFMO-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001027610291 738465864 /nfs/dbraw/zinc/46/58/64/738465864.db2.gz IUBNQLBLBSHLMK-MRXNPFEDSA-N 2 1 319.453 1.167 20 30 DDEDMP C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027653121 738514898 /nfs/dbraw/zinc/51/48/98/738514898.db2.gz VNWPYZNSPAKABQ-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001027653121 738514900 /nfs/dbraw/zinc/51/49/00/738514900.db2.gz VNWPYZNSPAKABQ-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001020400357 732322185 /nfs/dbraw/zinc/32/21/85/732322185.db2.gz OQSNAKGQGBNGJF-JOCQHMNTSA-N 2 1 322.840 1.751 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001167240915 732855768 /nfs/dbraw/zinc/85/57/68/732855768.db2.gz VIACTVYHFKZAKG-UHFFFAOYSA-N 2 1 305.466 1.618 20 30 DDEDMP C#CCC[N@H+](CCO)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001098536178 732913097 /nfs/dbraw/zinc/91/30/97/732913097.db2.gz CDFVJMNKAJWYTR-UHFFFAOYSA-N 2 1 323.481 1.027 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC=C)CC1 ZINC001021470012 733224310 /nfs/dbraw/zinc/22/43/10/733224310.db2.gz RAXWFVVXNUKFJJ-AYHJJNSGSA-N 2 1 315.461 1.629 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC)C1 ZINC001104306024 733420497 /nfs/dbraw/zinc/42/04/97/733420497.db2.gz GSGVATBVUSEWPL-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC)C1 ZINC001104306024 733420499 /nfs/dbraw/zinc/42/04/99/733420499.db2.gz GSGVATBVUSEWPL-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310462 733442459 /nfs/dbraw/zinc/44/24/59/733442459.db2.gz ABWPSQONWJBUDV-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167426093 733448564 /nfs/dbraw/zinc/44/85/64/733448564.db2.gz PTRNPVCSJVDKSB-IRXDYDNUSA-N 2 1 317.477 1.903 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001167460849 733665742 /nfs/dbraw/zinc/66/57/42/733665742.db2.gz RKGYTIRGWLXKIF-UHFFFAOYSA-N 2 1 323.481 1.551 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104376775 734437242 /nfs/dbraw/zinc/43/72/42/734437242.db2.gz STPPRVJFSWXBJR-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410472 735215770 /nfs/dbraw/zinc/21/57/70/735215770.db2.gz SRCOWKUSYYIEOU-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410472 735215774 /nfs/dbraw/zinc/21/57/74/735215774.db2.gz SRCOWKUSYYIEOU-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410472 735215777 /nfs/dbraw/zinc/21/57/77/735215777.db2.gz SRCOWKUSYYIEOU-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001024478611 735855914 /nfs/dbraw/zinc/85/59/14/735855914.db2.gz UCUCUBQWRRUKOM-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479873 735862338 /nfs/dbraw/zinc/86/23/38/735862338.db2.gz RZSJXVRJHVLYCJ-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479873 735862342 /nfs/dbraw/zinc/86/23/42/735862342.db2.gz RZSJXVRJHVLYCJ-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939675 736062593 /nfs/dbraw/zinc/06/25/93/736062593.db2.gz MBUDBAGFRHZNEZ-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781475 736851722 /nfs/dbraw/zinc/85/17/22/736851722.db2.gz FSQFBHRPNPXJOK-DMRKSPOLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781475 736851724 /nfs/dbraw/zinc/85/17/24/736851724.db2.gz FSQFBHRPNPXJOK-DMRKSPOLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781475 736851725 /nfs/dbraw/zinc/85/17/25/736851725.db2.gz FSQFBHRPNPXJOK-DMRKSPOLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001167737375 737360829 /nfs/dbraw/zinc/36/08/29/737360829.db2.gz QXMSTXDMIBKKHN-INIZCTEOSA-N 2 1 323.481 1.407 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041359825 739070069 /nfs/dbraw/zinc/07/00/69/739070069.db2.gz VKONVEDQSBPFTH-SJLPKXTDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001028333380 739366763 /nfs/dbraw/zinc/36/67/63/739366763.db2.gz IUWLTEWSQDPUHW-DLBZAZTESA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001028333830 739369641 /nfs/dbraw/zinc/36/96/41/739369641.db2.gz RNLXUSWIUBFDCO-MRXNPFEDSA-N 2 1 309.429 1.272 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001035389818 751460581 /nfs/dbraw/zinc/46/05/81/751460581.db2.gz QVRQQYJINFFFGT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001035389818 751460584 /nfs/dbraw/zinc/46/05/84/751460584.db2.gz QVRQQYJINFFFGT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389818 751460587 /nfs/dbraw/zinc/46/05/87/751460587.db2.gz QVRQQYJINFFFGT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389818 751460590 /nfs/dbraw/zinc/46/05/90/751460590.db2.gz QVRQQYJINFFFGT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001028870737 740126309 /nfs/dbraw/zinc/12/63/09/740126309.db2.gz VLCKKAGBJBCKQG-QGZVFWFLSA-N 2 1 313.445 1.823 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569773 740659146 /nfs/dbraw/zinc/65/91/46/740659146.db2.gz MNNXPHBENRSSJL-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569773 740659147 /nfs/dbraw/zinc/65/91/47/740659147.db2.gz MNNXPHBENRSSJL-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569773 740659148 /nfs/dbraw/zinc/65/91/48/740659148.db2.gz MNNXPHBENRSSJL-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998191269 751583278 /nfs/dbraw/zinc/58/32/78/751583278.db2.gz UGCZXCNDESFXQG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998191269 751583283 /nfs/dbraw/zinc/58/32/83/751583283.db2.gz UGCZXCNDESFXQG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998191269 751583287 /nfs/dbraw/zinc/58/32/87/751583287.db2.gz UGCZXCNDESFXQG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998191269 751583292 /nfs/dbraw/zinc/58/32/92/751583292.db2.gz UGCZXCNDESFXQG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001087993655 740934230 /nfs/dbraw/zinc/93/42/30/740934230.db2.gz XBTDMWZVAFBOGP-IKGGRYGDSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001088000290 740938150 /nfs/dbraw/zinc/93/81/50/740938150.db2.gz YNIQBUBTWSWAPP-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001088000290 740938151 /nfs/dbraw/zinc/93/81/51/740938151.db2.gz YNIQBUBTWSWAPP-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001088000290 740938153 /nfs/dbraw/zinc/93/81/53/740938153.db2.gz YNIQBUBTWSWAPP-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999393 740938441 /nfs/dbraw/zinc/93/84/41/740938441.db2.gz JQWOXNLGGGETEN-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999393 740938446 /nfs/dbraw/zinc/93/84/46/740938446.db2.gz JQWOXNLGGGETEN-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999393 740938448 /nfs/dbraw/zinc/93/84/48/740938448.db2.gz JQWOXNLGGGETEN-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081840 741008346 /nfs/dbraw/zinc/00/83/46/741008346.db2.gz HOAIQWJGYXWAPF-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081840 741008350 /nfs/dbraw/zinc/00/83/50/741008350.db2.gz HOAIQWJGYXWAPF-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088081840 741008354 /nfs/dbraw/zinc/00/83/54/741008354.db2.gz HOAIQWJGYXWAPF-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150594 741065550 /nfs/dbraw/zinc/06/55/50/741065550.db2.gz LYYNJXJZBTWLPN-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)C(C)C)C2)CC1 ZINC001029909559 741574339 /nfs/dbraw/zinc/57/43/39/741574339.db2.gz NUJJOPHSUGDJFN-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075972964 742298388 /nfs/dbraw/zinc/29/83/88/742298388.db2.gz RMZPJJXHSPFBCD-MAUKXSAKSA-N 2 1 322.412 1.812 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC001114927641 751743472 /nfs/dbraw/zinc/74/34/72/751743472.db2.gz UGURXEJGDBHPLD-VQFNDLOPSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[C@@H]3CCCC[N@@H+]13)CC2 ZINC001035733277 751827201 /nfs/dbraw/zinc/82/72/01/751827201.db2.gz PXVSTRHZQNTJHD-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC/C=C\CC)C1 ZINC001183353807 743821479 /nfs/dbraw/zinc/82/14/79/743821479.db2.gz AWJOHAKCVBMLFL-DJAVDHGHSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC/C=C\CC)C1 ZINC001183353807 743821482 /nfs/dbraw/zinc/82/14/82/743821482.db2.gz AWJOHAKCVBMLFL-DJAVDHGHSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035798833 751887268 /nfs/dbraw/zinc/88/72/68/751887268.db2.gz QCWCVVYPBNNVHU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088969040 744417350 /nfs/dbraw/zinc/41/73/50/744417350.db2.gz DPUNOHOMTBVGPI-PBHICJAKSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651701 744484574 /nfs/dbraw/zinc/48/45/74/744484574.db2.gz PEBDSQJRYYKPNY-HZPDHXFCSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992141411 744631958 /nfs/dbraw/zinc/63/19/58/744631958.db2.gz XLSMWROXOZQWOD-IMBTUZDBSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992141411 744631961 /nfs/dbraw/zinc/63/19/61/744631961.db2.gz XLSMWROXOZQWOD-IMBTUZDBSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992141411 744631962 /nfs/dbraw/zinc/63/19/62/744631962.db2.gz XLSMWROXOZQWOD-IMBTUZDBSA-N 2 1 317.477 1.853 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001188146142 744665764 /nfs/dbraw/zinc/66/57/64/744665764.db2.gz VZOWSOYVDIPHMY-QGZVFWFLSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992262248 744733331 /nfs/dbraw/zinc/73/33/31/744733331.db2.gz RHHQFGQUEBFJRT-MAUKXSAKSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@H]12 ZINC000992262248 744733333 /nfs/dbraw/zinc/73/33/33/744733333.db2.gz RHHQFGQUEBFJRT-MAUKXSAKSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106119514 744735892 /nfs/dbraw/zinc/73/58/92/744735892.db2.gz CFDRDAQRHQQOPG-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276509 744742030 /nfs/dbraw/zinc/74/20/30/744742030.db2.gz AKJSFMSQSINHSA-WMZOPIPTSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(CC)CCO3)CCC[C@H]12 ZINC000992491394 744914277 /nfs/dbraw/zinc/91/42/77/744914277.db2.gz FJERWGJRXIQCIG-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992491394 744914279 /nfs/dbraw/zinc/91/42/79/744914279.db2.gz FJERWGJRXIQCIG-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992491394 744914282 /nfs/dbraw/zinc/91/42/82/744914282.db2.gz FJERWGJRXIQCIG-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992491394 744914285 /nfs/dbraw/zinc/91/42/85/744914285.db2.gz FJERWGJRXIQCIG-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992491394 744914289 /nfs/dbraw/zinc/91/42/89/744914289.db2.gz FJERWGJRXIQCIG-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC)CC3)CC1 ZINC000992511420 744928139 /nfs/dbraw/zinc/92/81/39/744928139.db2.gz QWTQALPBUQSDTD-AEFFLSMTSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084423 745106112 /nfs/dbraw/zinc/10/61/12/745106112.db2.gz MXENKJSHMAQXCP-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084423 745106116 /nfs/dbraw/zinc/10/61/16/745106116.db2.gz MXENKJSHMAQXCP-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190084423 745106119 /nfs/dbraw/zinc/10/61/19/745106119.db2.gz MXENKJSHMAQXCP-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001106149505 745126182 /nfs/dbraw/zinc/12/61/82/745126182.db2.gz NSTZVLVTFWKIEC-OWCLPIDISA-N 2 1 316.449 1.714 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190221851 745143328 /nfs/dbraw/zinc/14/33/28/745143328.db2.gz QOZFBQQLDLEXRF-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015306864 745182119 /nfs/dbraw/zinc/18/21/19/745182119.db2.gz MCGTUPYHOOIEFZ-AWEZNQCLSA-N 2 1 302.422 1.529 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001015306864 745182125 /nfs/dbraw/zinc/18/21/25/745182125.db2.gz MCGTUPYHOOIEFZ-AWEZNQCLSA-N 2 1 302.422 1.529 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000992917206 745291052 /nfs/dbraw/zinc/29/10/52/745291052.db2.gz LAWXPKJUZFTHRI-BZUAXINKSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000992917202 745291154 /nfs/dbraw/zinc/29/11/54/745291154.db2.gz LAWXPKJUZFTHRI-ARFHVFGLSA-N 2 1 302.422 1.594 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203731399 745389172 /nfs/dbraw/zinc/38/91/72/745389172.db2.gz OBPOMIDNZXISAZ-CABCVRRESA-N 2 1 300.406 1.232 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249582 745459311 /nfs/dbraw/zinc/45/93/11/745459311.db2.gz LGEMJIDPZXTWMH-KFWWJZLASA-N 2 1 302.422 1.631 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581554 745811200 /nfs/dbraw/zinc/81/12/00/745811200.db2.gz HZSCATQUVNDONE-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099239789 745833749 /nfs/dbraw/zinc/83/37/49/745833749.db2.gz JXNSPUTVLLNVFV-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382241 746082641 /nfs/dbraw/zinc/08/26/41/746082641.db2.gz GNUKXZPGHQIKQR-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352044 746091203 /nfs/dbraw/zinc/09/12/03/746091203.db2.gz QBGXBHFPFPPSTC-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352044 746091207 /nfs/dbraw/zinc/09/12/07/746091207.db2.gz QBGXBHFPFPPSTC-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352044 746091210 /nfs/dbraw/zinc/09/12/10/746091210.db2.gz QBGXBHFPFPPSTC-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352044 746091212 /nfs/dbraw/zinc/09/12/12/746091212.db2.gz QBGXBHFPFPPSTC-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874683 746551387 /nfs/dbraw/zinc/55/13/87/746551387.db2.gz PKYMLMRFDIXMMX-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001196163614 746790554 /nfs/dbraw/zinc/79/05/54/746790554.db2.gz PWADSKUBQICRII-MRXNPFEDSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003147175 747013259 /nfs/dbraw/zinc/01/32/59/747013259.db2.gz VVMNJWFQQPWQIC-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cccc(C#N)c2)C1 ZINC001031577346 747089561 /nfs/dbraw/zinc/08/95/61/747089561.db2.gz LMQSIALGGDZVPI-KRWDZBQOSA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031577346 747089578 /nfs/dbraw/zinc/08/95/78/747089578.db2.gz LMQSIALGGDZVPI-KRWDZBQOSA-N 2 1 312.417 1.200 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089558241 747216957 /nfs/dbraw/zinc/21/69/57/747216957.db2.gz GCBIJCFFPRLLEE-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089558241 747216960 /nfs/dbraw/zinc/21/69/60/747216960.db2.gz GCBIJCFFPRLLEE-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089558241 747216966 /nfs/dbraw/zinc/21/69/66/747216966.db2.gz GCBIJCFFPRLLEE-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559168 747218752 /nfs/dbraw/zinc/21/87/52/747218752.db2.gz NJPZZCNXMMAPAZ-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559168 747218756 /nfs/dbraw/zinc/21/87/56/747218756.db2.gz NJPZZCNXMMAPAZ-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559168 747218758 /nfs/dbraw/zinc/21/87/58/747218758.db2.gz NJPZZCNXMMAPAZ-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007496986 752174441 /nfs/dbraw/zinc/17/44/41/752174441.db2.gz YCUXKFZQHRQANX-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007496986 752174444 /nfs/dbraw/zinc/17/44/44/752174444.db2.gz YCUXKFZQHRQANX-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001003715643 747408129 /nfs/dbraw/zinc/40/81/29/747408129.db2.gz CTARTJOVIGWCMZ-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033082967 748219592 /nfs/dbraw/zinc/21/95/92/748219592.db2.gz VZVSYYXMQQYZLL-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033082967 748219599 /nfs/dbraw/zinc/21/95/99/748219599.db2.gz VZVSYYXMQQYZLL-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033082967 748219605 /nfs/dbraw/zinc/21/96/05/748219605.db2.gz VZVSYYXMQQYZLL-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004466850 748454622 /nfs/dbraw/zinc/45/46/22/748454622.db2.gz WMZZVAYTRYKEGM-ROUUACIJSA-N 2 1 319.493 1.909 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001201267067 748461437 /nfs/dbraw/zinc/46/14/37/748461437.db2.gz JPBBSAYBPUXLIC-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400100 748498436 /nfs/dbraw/zinc/49/84/36/748498436.db2.gz NTXQPATWESOBFG-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558786 748545104 /nfs/dbraw/zinc/54/51/04/748545104.db2.gz PGQFJTKZPIQOGU-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144928 748695772 /nfs/dbraw/zinc/69/57/72/748695772.db2.gz ORKWPMVPSZAWJR-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202504609 749011619 /nfs/dbraw/zinc/01/16/19/749011619.db2.gz UXGHMKNLQXCIEA-GOSISDBHSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114423576 749189846 /nfs/dbraw/zinc/18/98/46/749189846.db2.gz OUWZXNFRAHOGQA-LISAXSMJSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114423576 749189851 /nfs/dbraw/zinc/18/98/51/749189851.db2.gz OUWZXNFRAHOGQA-LISAXSMJSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114423576 749189857 /nfs/dbraw/zinc/18/98/57/749189857.db2.gz OUWZXNFRAHOGQA-LISAXSMJSA-N 2 1 305.466 1.873 20 30 DDEDMP C[NH+](C)CCN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137114637 749338690 /nfs/dbraw/zinc/33/86/90/749338690.db2.gz UARRFKCFZFEQNK-UHFFFAOYSA-N 2 1 302.422 1.268 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996201111 749432892 /nfs/dbraw/zinc/43/28/92/749432892.db2.gz CWCAQBPYVWBSGO-ZBFHGGJFSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108343361 761957885 /nfs/dbraw/zinc/95/78/85/761957885.db2.gz POAYAEQOLUQOFR-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343361 761957893 /nfs/dbraw/zinc/95/78/93/761957893.db2.gz POAYAEQOLUQOFR-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343361 761957901 /nfs/dbraw/zinc/95/79/01/761957901.db2.gz POAYAEQOLUQOFR-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1(C)C ZINC000996462168 749595592 /nfs/dbraw/zinc/59/55/92/749595592.db2.gz NQTHONXBGYAVFN-MRXNPFEDSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687165 749718625 /nfs/dbraw/zinc/71/86/25/749718625.db2.gz ZEIWILANZZFRFE-QGZVFWFLSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039386269 761986576 /nfs/dbraw/zinc/98/65/76/761986576.db2.gz GONSLPCWDGXSQT-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045073348 750030384 /nfs/dbraw/zinc/03/03/84/750030384.db2.gz DAAAOUPVIAMFJJ-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCC1 ZINC001045073348 750030388 /nfs/dbraw/zinc/03/03/88/750030388.db2.gz DAAAOUPVIAMFJJ-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001095611084 750078563 /nfs/dbraw/zinc/07/85/63/750078563.db2.gz CBFLDQNQRPNNLT-RBGFHDKUSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001095611084 750078567 /nfs/dbraw/zinc/07/85/67/750078567.db2.gz CBFLDQNQRPNNLT-RBGFHDKUSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611084 750078572 /nfs/dbraw/zinc/07/85/72/750078572.db2.gz CBFLDQNQRPNNLT-RBGFHDKUSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001095611084 750078577 /nfs/dbraw/zinc/07/85/77/750078577.db2.gz CBFLDQNQRPNNLT-RBGFHDKUSA-N 2 1 307.438 1.003 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111018171 750307778 /nfs/dbraw/zinc/30/77/78/750307778.db2.gz LXBWTRDUIPYPIB-VQHPVUNQSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001034046697 750314454 /nfs/dbraw/zinc/31/44/54/750314454.db2.gz UMZOPLGCELSPNY-INIZCTEOSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001034046697 750314459 /nfs/dbraw/zinc/31/44/59/750314459.db2.gz UMZOPLGCELSPNY-INIZCTEOSA-N 2 1 309.429 1.224 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115314 750379188 /nfs/dbraw/zinc/37/91/88/750379188.db2.gz NBPFTKWACJUOAP-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115314 750379191 /nfs/dbraw/zinc/37/91/91/750379191.db2.gz NBPFTKWACJUOAP-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001039437822 762034295 /nfs/dbraw/zinc/03/42/95/762034295.db2.gz ZBWIDZRWURNLCT-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001039437822 762034305 /nfs/dbraw/zinc/03/43/05/762034305.db2.gz ZBWIDZRWURNLCT-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@H]1C ZINC001039437822 762034316 /nfs/dbraw/zinc/03/43/16/762034316.db2.gz ZBWIDZRWURNLCT-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107950116 750815431 /nfs/dbraw/zinc/81/54/31/750815431.db2.gz XTVXKLYPNCIOQW-SJLPKXTDSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107950116 750815437 /nfs/dbraw/zinc/81/54/37/750815437.db2.gz XTVXKLYPNCIOQW-SJLPKXTDSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114974342 751021638 /nfs/dbraw/zinc/02/16/38/751021638.db2.gz DHFUFUYIDPJJGO-VQFNDLOPSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCOCC1 ZINC001114974342 751021642 /nfs/dbraw/zinc/02/16/42/751021642.db2.gz DHFUFUYIDPJJGO-VQFNDLOPSA-N 2 1 321.465 1.111 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001114774938 751072241 /nfs/dbraw/zinc/07/22/41/751072241.db2.gz XCAYFVAOMCXJBD-DZFIZOCASA-N 2 1 311.429 1.036 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653422 751184077 /nfs/dbraw/zinc/18/40/77/751184077.db2.gz LUICICNPORJKME-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035185260 751277890 /nfs/dbraw/zinc/27/78/90/751277890.db2.gz QIYUVXNDSVHVRP-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185260 751277892 /nfs/dbraw/zinc/27/78/92/751277892.db2.gz QIYUVXNDSVHVRP-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001035185260 751277894 /nfs/dbraw/zinc/27/78/94/751277894.db2.gz QIYUVXNDSVHVRP-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035246477 751327752 /nfs/dbraw/zinc/32/77/52/751327752.db2.gz MLRISSMXWBSYQV-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035246477 751327756 /nfs/dbraw/zinc/32/77/56/751327756.db2.gz MLRISSMXWBSYQV-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035246477 751327761 /nfs/dbraw/zinc/32/77/61/751327761.db2.gz MLRISSMXWBSYQV-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008279860 752650992 /nfs/dbraw/zinc/65/09/92/752650992.db2.gz KDFCHKMPKUODEM-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008279860 752650995 /nfs/dbraw/zinc/65/09/95/752650995.db2.gz KDFCHKMPKUODEM-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279860 752650997 /nfs/dbraw/zinc/65/09/97/752650997.db2.gz KDFCHKMPKUODEM-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008279860 752650999 /nfs/dbraw/zinc/65/09/99/752650999.db2.gz KDFCHKMPKUODEM-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000768087 762177013 /nfs/dbraw/zinc/17/70/13/762177013.db2.gz VANSKQWMNQQVGY-QGZVFWFLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768087 762177017 /nfs/dbraw/zinc/17/70/17/762177017.db2.gz VANSKQWMNQQVGY-QGZVFWFLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768087 762177020 /nfs/dbraw/zinc/17/70/20/762177020.db2.gz VANSKQWMNQQVGY-QGZVFWFLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000999766870 753131627 /nfs/dbraw/zinc/13/16/27/753131627.db2.gz TUHZANZBRYTPRN-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001009627157 753287321 /nfs/dbraw/zinc/28/73/21/753287321.db2.gz JZAKNFXFKLZZBV-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040532047 754108380 /nfs/dbraw/zinc/10/83/80/754108380.db2.gz UCQZCXWPSJITNZ-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040532047 754108382 /nfs/dbraw/zinc/10/83/82/754108382.db2.gz UCQZCXWPSJITNZ-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189755 754842431 /nfs/dbraw/zinc/84/24/31/754842431.db2.gz JXPWEDYJWAIACQ-NVXWUHKLSA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189755 754842433 /nfs/dbraw/zinc/84/24/33/754842433.db2.gz JXPWEDYJWAIACQ-NVXWUHKLSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001080998917 756171357 /nfs/dbraw/zinc/17/13/57/756171357.db2.gz SVMMLNXVARXTLT-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC)C2 ZINC001040244810 762456747 /nfs/dbraw/zinc/45/67/47/762456747.db2.gz NXZVDTYNBKABOB-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](CC)C2 ZINC001040244810 762456751 /nfs/dbraw/zinc/45/67/51/762456751.db2.gz NXZVDTYNBKABOB-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC)C2 ZINC001040244810 762456754 /nfs/dbraw/zinc/45/67/54/762456754.db2.gz NXZVDTYNBKABOB-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CC)C2 ZINC001040244810 762456758 /nfs/dbraw/zinc/45/67/58/762456758.db2.gz NXZVDTYNBKABOB-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705668 756481449 /nfs/dbraw/zinc/48/14/49/756481449.db2.gz NSDXBKRHAJFYGA-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705668 756481455 /nfs/dbraw/zinc/48/14/55/756481455.db2.gz NSDXBKRHAJFYGA-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395324 762523281 /nfs/dbraw/zinc/52/32/81/762523281.db2.gz OFHPPLVOPFITKU-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395324 762523286 /nfs/dbraw/zinc/52/32/86/762523286.db2.gz OFHPPLVOPFITKU-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395324 762523292 /nfs/dbraw/zinc/52/32/92/762523292.db2.gz OFHPPLVOPFITKU-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001052717268 757680905 /nfs/dbraw/zinc/68/09/05/757680905.db2.gz UZWAOHVZPGZBMG-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717268 757680912 /nfs/dbraw/zinc/68/09/12/757680912.db2.gz UZWAOHVZPGZBMG-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC001052717268 757680917 /nfs/dbraw/zinc/68/09/17/757680917.db2.gz UZWAOHVZPGZBMG-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040531657 762580513 /nfs/dbraw/zinc/58/05/13/762580513.db2.gz RLOBSRZOLHHIAN-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040531657 762580519 /nfs/dbraw/zinc/58/05/19/762580519.db2.gz RLOBSRZOLHHIAN-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040531657 762580523 /nfs/dbraw/zinc/58/05/23/762580523.db2.gz RLOBSRZOLHHIAN-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001084766604 757890474 /nfs/dbraw/zinc/89/04/74/757890474.db2.gz GARJVNFWGULOFN-QZTJIDSGSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084775616 757897803 /nfs/dbraw/zinc/89/78/03/757897803.db2.gz OEBIKJZFOCUOEM-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084775616 757897807 /nfs/dbraw/zinc/89/78/07/757897807.db2.gz OEBIKJZFOCUOEM-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084775616 757897811 /nfs/dbraw/zinc/89/78/11/757897811.db2.gz OEBIKJZFOCUOEM-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853343 757983988 /nfs/dbraw/zinc/98/39/88/757983988.db2.gz JKTRVFAWNNKMND-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853343 757983995 /nfs/dbraw/zinc/98/39/95/757983995.db2.gz JKTRVFAWNNKMND-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084971962 758113383 /nfs/dbraw/zinc/11/33/83/758113383.db2.gz JEXSDIQVLIAQSD-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084971962 758113385 /nfs/dbraw/zinc/11/33/85/758113385.db2.gz JEXSDIQVLIAQSD-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084971962 758113389 /nfs/dbraw/zinc/11/33/89/758113389.db2.gz JEXSDIQVLIAQSD-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)C[C@@H]21 ZINC001084975781 758114899 /nfs/dbraw/zinc/11/48/99/758114899.db2.gz SVQLDXPIRLENCA-OAGGEKHMSA-N 2 1 314.433 1.554 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]21 ZINC001084978108 758120658 /nfs/dbraw/zinc/12/06/58/758120658.db2.gz XMEQSZRRFGVAEQ-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978108 758120660 /nfs/dbraw/zinc/12/06/60/758120660.db2.gz XMEQSZRRFGVAEQ-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]21 ZINC001084978108 758120663 /nfs/dbraw/zinc/12/06/63/758120663.db2.gz XMEQSZRRFGVAEQ-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040641954 762635725 /nfs/dbraw/zinc/63/57/25/762635725.db2.gz XGGPEPKDABMESY-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC001054109802 759174910 /nfs/dbraw/zinc/17/49/10/759174910.db2.gz SNZJJZIYMDYPSM-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054109802 759174913 /nfs/dbraw/zinc/17/49/13/759174913.db2.gz SNZJJZIYMDYPSM-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054109802 759174916 /nfs/dbraw/zinc/17/49/16/759174916.db2.gz SNZJJZIYMDYPSM-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054109802 759174918 /nfs/dbraw/zinc/17/49/18/759174918.db2.gz SNZJJZIYMDYPSM-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054109802 759174922 /nfs/dbraw/zinc/17/49/22/759174922.db2.gz SNZJJZIYMDYPSM-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148242 759228074 /nfs/dbraw/zinc/22/80/74/759228074.db2.gz KDGWPACIFBCATG-HKUYNNGSSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046743218 767877827 /nfs/dbraw/zinc/87/78/27/767877827.db2.gz YHMPPXRVOCXFEU-GOSISDBHSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598420 759812467 /nfs/dbraw/zinc/81/24/67/759812467.db2.gz SNZHTIMBMFHKKW-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598420 759812472 /nfs/dbraw/zinc/81/24/72/759812472.db2.gz SNZHTIMBMFHKKW-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598420 759812482 /nfs/dbraw/zinc/81/24/82/759812482.db2.gz SNZHTIMBMFHKKW-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598420 759812492 /nfs/dbraw/zinc/81/24/92/759812492.db2.gz SNZHTIMBMFHKKW-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901491 760494228 /nfs/dbraw/zinc/49/42/28/760494228.db2.gz GSWUKQBWYIZHHM-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008021 760537356 /nfs/dbraw/zinc/53/73/56/760537356.db2.gz BVXSVOAHQMVYCT-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008021 760537360 /nfs/dbraw/zinc/53/73/60/760537360.db2.gz BVXSVOAHQMVYCT-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008021 760537367 /nfs/dbraw/zinc/53/73/67/760537367.db2.gz BVXSVOAHQMVYCT-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001046850235 767981952 /nfs/dbraw/zinc/98/19/52/767981952.db2.gz PYRTWKPWOMHMDL-MAUKXSAKSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001039134775 761769711 /nfs/dbraw/zinc/76/97/11/761769711.db2.gz VIFPUHKSFZQGKJ-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039134775 761769716 /nfs/dbraw/zinc/76/97/16/761769716.db2.gz VIFPUHKSFZQGKJ-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC)C2)CC1 ZINC001039134775 761769724 /nfs/dbraw/zinc/76/97/24/761769724.db2.gz VIFPUHKSFZQGKJ-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CC[NH+](CC)C2)CC1 ZINC001039134775 761769731 /nfs/dbraw/zinc/76/97/31/761769731.db2.gz VIFPUHKSFZQGKJ-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214323 761845497 /nfs/dbraw/zinc/84/54/97/761845497.db2.gz OFJALPZKTIMOLL-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214323 761845502 /nfs/dbraw/zinc/84/55/02/761845502.db2.gz OFJALPZKTIMOLL-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214323 761845512 /nfs/dbraw/zinc/84/55/12/761845512.db2.gz OFJALPZKTIMOLL-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725766 762885913 /nfs/dbraw/zinc/88/59/13/762885913.db2.gz KMZNSCSIGJUXKD-JYJNAYRXSA-N 2 1 302.422 1.737 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001001492437 762912008 /nfs/dbraw/zinc/91/20/08/762912008.db2.gz PJSDYRCFSYFOBF-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC[C@H](C)F)CC1 ZINC001001492437 762912012 /nfs/dbraw/zinc/91/20/12/762912012.db2.gz PJSDYRCFSYFOBF-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726110 763259649 /nfs/dbraw/zinc/25/96/49/763259649.db2.gz UCQQPJCGNQBPEK-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041770114 763306736 /nfs/dbraw/zinc/30/67/36/763306736.db2.gz XJKOOOSASPGVTK-IBGZPJMESA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050201732 763312724 /nfs/dbraw/zinc/31/27/24/763312724.db2.gz BCBHSSGNDKOALG-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050201732 763312732 /nfs/dbraw/zinc/31/27/32/763312732.db2.gz BCBHSSGNDKOALG-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788807 763333174 /nfs/dbraw/zinc/33/31/74/763333174.db2.gz JEBHJWQGTHRLIQ-INIZCTEOSA-N 2 1 323.868 1.759 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788807 763333186 /nfs/dbraw/zinc/33/31/86/763333186.db2.gz JEBHJWQGTHRLIQ-INIZCTEOSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]21 ZINC001042122019 763675051 /nfs/dbraw/zinc/67/50/51/763675051.db2.gz KYTVDFBARALHMD-MAUKXSAKSA-N 2 1 322.412 1.812 20 30 DDEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001042724969 764391497 /nfs/dbraw/zinc/39/14/97/764391497.db2.gz IJFFQJGMXCNZGZ-INIZCTEOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001042724969 764391507 /nfs/dbraw/zinc/39/15/07/764391507.db2.gz IJFFQJGMXCNZGZ-INIZCTEOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CCC)C[C@H](C)O2 ZINC001131697410 768279314 /nfs/dbraw/zinc/27/93/14/768279314.db2.gz KNMTVCZJHBKQCO-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@H](C)O2 ZINC001131697410 768279320 /nfs/dbraw/zinc/27/93/20/768279320.db2.gz KNMTVCZJHBKQCO-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@H](C)O2 ZINC001131697410 768279325 /nfs/dbraw/zinc/27/93/25/768279325.db2.gz KNMTVCZJHBKQCO-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131697000 768279873 /nfs/dbraw/zinc/27/98/73/768279873.db2.gz FLOCDLHQOHVCSZ-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697000 768279875 /nfs/dbraw/zinc/27/98/75/768279875.db2.gz FLOCDLHQOHVCSZ-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697000 768279877 /nfs/dbraw/zinc/27/98/77/768279877.db2.gz FLOCDLHQOHVCSZ-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001044654366 765728626 /nfs/dbraw/zinc/72/86/26/765728626.db2.gz LYYGUPIIAZLEMO-STQMWFEESA-N 2 1 306.410 1.505 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045479183 766336732 /nfs/dbraw/zinc/33/67/32/766336732.db2.gz VRISPIQULHHCRO-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921218 766702899 /nfs/dbraw/zinc/70/28/99/766702899.db2.gz HZSDTRVFCBNEPK-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921218 766702905 /nfs/dbraw/zinc/70/29/05/766702905.db2.gz HZSDTRVFCBNEPK-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921218 766702917 /nfs/dbraw/zinc/70/29/17/766702917.db2.gz HZSDTRVFCBNEPK-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(CC)c1 ZINC001129762099 766991683 /nfs/dbraw/zinc/99/16/83/766991683.db2.gz HGKVVJSRCFTGPC-SFHVURJKSA-N 2 1 313.445 1.552 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(CC)c1 ZINC001129762099 766991692 /nfs/dbraw/zinc/99/16/92/766991692.db2.gz HGKVVJSRCFTGPC-SFHVURJKSA-N 2 1 313.445 1.552 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001129856049 767019975 /nfs/dbraw/zinc/01/99/75/767019975.db2.gz MLXSLEMQSGYHQZ-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001046329924 767428217 /nfs/dbraw/zinc/42/82/17/767428217.db2.gz CTNNGKFKRHCHOJ-DOTOQJQBSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCN1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001046329924 767428220 /nfs/dbraw/zinc/42/82/20/767428220.db2.gz CTNNGKFKRHCHOJ-DOTOQJQBSA-N 2 1 315.421 1.004 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001098477610 768414883 /nfs/dbraw/zinc/41/48/83/768414883.db2.gz BODILPWYAWKWRZ-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477610 768414886 /nfs/dbraw/zinc/41/48/86/768414886.db2.gz BODILPWYAWKWRZ-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001098477610 768414888 /nfs/dbraw/zinc/41/48/88/768414888.db2.gz BODILPWYAWKWRZ-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976459 769377968 /nfs/dbraw/zinc/37/79/68/769377968.db2.gz FAJXGLAXTYDILK-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001048524818 769493154 /nfs/dbraw/zinc/49/31/54/769493154.db2.gz AMHQQIBYICLUEA-XMTFNYHQSA-N 2 1 317.477 1.852 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562944 769536535 /nfs/dbraw/zinc/53/65/35/769536535.db2.gz RZIFSVQBUVNVQS-NQNKBUKLSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562944 769536542 /nfs/dbraw/zinc/53/65/42/769536542.db2.gz RZIFSVQBUVNVQS-NQNKBUKLSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562944 769536549 /nfs/dbraw/zinc/53/65/49/769536549.db2.gz RZIFSVQBUVNVQS-NQNKBUKLSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133856487 770363734 /nfs/dbraw/zinc/36/37/34/770363734.db2.gz GYACEUALHXUTRG-INIZCTEOSA-N 2 1 315.433 1.107 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001072099364 770540751 /nfs/dbraw/zinc/54/07/51/770540751.db2.gz PUDKQTAPQQJDKR-MAUKXSAKSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478647 770906568 /nfs/dbraw/zinc/90/65/68/770906568.db2.gz QXAZXCCEHDZAOB-KZNAEPCWSA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049505452 770942630 /nfs/dbraw/zinc/94/26/30/770942630.db2.gz OZWBGKUTZUXPKE-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049505452 770942637 /nfs/dbraw/zinc/94/26/37/770942637.db2.gz OZWBGKUTZUXPKE-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049505452 770942646 /nfs/dbraw/zinc/94/26/46/770942646.db2.gz OZWBGKUTZUXPKE-KZNAEPCWSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671397 771070834 /nfs/dbraw/zinc/07/08/34/771070834.db2.gz LBGZIAJPRSDEGX-MWDXBVQZSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671397 771070837 /nfs/dbraw/zinc/07/08/37/771070837.db2.gz LBGZIAJPRSDEGX-MWDXBVQZSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671397 771070843 /nfs/dbraw/zinc/07/08/43/771070843.db2.gz LBGZIAJPRSDEGX-MWDXBVQZSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001091234004 772639531 /nfs/dbraw/zinc/63/95/31/772639531.db2.gz XRPNTWYPVBIUBJ-UHFFFAOYSA-N 2 1 318.421 1.554 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298273 773092720 /nfs/dbraw/zinc/09/27/20/773092720.db2.gz SDHTUAQINMOEDK-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298273 773092723 /nfs/dbraw/zinc/09/27/23/773092723.db2.gz SDHTUAQINMOEDK-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298273 773092728 /nfs/dbraw/zinc/09/27/28/773092728.db2.gz SDHTUAQINMOEDK-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298273 773092732 /nfs/dbraw/zinc/09/27/32/773092732.db2.gz SDHTUAQINMOEDK-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001147291188 773102587 /nfs/dbraw/zinc/10/25/87/773102587.db2.gz LNLQSKSOOMTGOQ-BRWVUGGUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001147291188 773102589 /nfs/dbraw/zinc/10/25/89/773102589.db2.gz LNLQSKSOOMTGOQ-BRWVUGGUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[NH+]3C2)CC1 ZINC001147291188 773102591 /nfs/dbraw/zinc/10/25/91/773102591.db2.gz LNLQSKSOOMTGOQ-BRWVUGGUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[NH+]3C2)CC1 ZINC001147291188 773102596 /nfs/dbraw/zinc/10/25/96/773102596.db2.gz LNLQSKSOOMTGOQ-BRWVUGGUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCF)C[C@@]2(C)C1 ZINC001091748887 773607802 /nfs/dbraw/zinc/60/78/02/773607802.db2.gz YMDXRBLUOKTJGO-RYRKJORJSA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCF)C[C@@]2(C)C1 ZINC001091748887 773607803 /nfs/dbraw/zinc/60/78/03/773607803.db2.gz YMDXRBLUOKTJGO-RYRKJORJSA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCF)C[C@@]2(C)C1 ZINC001091748887 773607811 /nfs/dbraw/zinc/60/78/11/773607811.db2.gz YMDXRBLUOKTJGO-RYRKJORJSA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCF)C[C@@]2(C)C1 ZINC001091748887 773607817 /nfs/dbraw/zinc/60/78/17/773607817.db2.gz YMDXRBLUOKTJGO-RYRKJORJSA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001086924052 773723503 /nfs/dbraw/zinc/72/35/03/773723503.db2.gz IWPAFKMNHODHRN-GVDBMIGSSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302306 774053539 /nfs/dbraw/zinc/05/35/39/774053539.db2.gz XVQWKEQKRHZONK-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302306 774053545 /nfs/dbraw/zinc/05/35/45/774053545.db2.gz XVQWKEQKRHZONK-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302306 774053551 /nfs/dbraw/zinc/05/35/51/774053551.db2.gz XVQWKEQKRHZONK-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093224857 774535870 /nfs/dbraw/zinc/53/58/70/774535870.db2.gz FEAFZIHMYDDYPK-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093224857 774535878 /nfs/dbraw/zinc/53/58/78/774535878.db2.gz FEAFZIHMYDDYPK-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093224857 774535885 /nfs/dbraw/zinc/53/58/85/774535885.db2.gz FEAFZIHMYDDYPK-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793565 774642924 /nfs/dbraw/zinc/64/29/24/774642924.db2.gz HFIRTLMOTITKSJ-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098834976 774689429 /nfs/dbraw/zinc/68/94/29/774689429.db2.gz FKTGEIGEDAAHNH-BQFCYCMXSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098834976 774689431 /nfs/dbraw/zinc/68/94/31/774689431.db2.gz FKTGEIGEDAAHNH-BQFCYCMXSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098834976 774689436 /nfs/dbraw/zinc/68/94/36/774689436.db2.gz FKTGEIGEDAAHNH-BQFCYCMXSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098875488 774702098 /nfs/dbraw/zinc/70/20/98/774702098.db2.gz QLEBFSQOGOIUIY-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875488 774702101 /nfs/dbraw/zinc/70/21/01/774702101.db2.gz QLEBFSQOGOIUIY-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098875488 774702104 /nfs/dbraw/zinc/70/21/04/774702104.db2.gz QLEBFSQOGOIUIY-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598737 775057471 /nfs/dbraw/zinc/05/74/71/775057471.db2.gz LKUSRYLLICQHCW-INIZCTEOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598737 775057478 /nfs/dbraw/zinc/05/74/78/775057478.db2.gz LKUSRYLLICQHCW-INIZCTEOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598737 775057483 /nfs/dbraw/zinc/05/74/83/775057483.db2.gz LKUSRYLLICQHCW-INIZCTEOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109532 775688950 /nfs/dbraw/zinc/68/89/50/775688950.db2.gz GYIITDUMIMHMCN-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419125 775847366 /nfs/dbraw/zinc/84/73/66/775847366.db2.gz RJOIOTRHJIPXTO-YFHUEUNASA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419125 775847371 /nfs/dbraw/zinc/84/73/71/775847371.db2.gz RJOIOTRHJIPXTO-YFHUEUNASA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419125 775847376 /nfs/dbraw/zinc/84/73/76/775847376.db2.gz RJOIOTRHJIPXTO-YFHUEUNASA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCC)CC2 ZINC001094436576 775871452 /nfs/dbraw/zinc/87/14/52/775871452.db2.gz WQGFAQAIEZHXCR-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001094436576 775871461 /nfs/dbraw/zinc/87/14/61/775871461.db2.gz WQGFAQAIEZHXCR-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001094436576 775871464 /nfs/dbraw/zinc/87/14/64/775871464.db2.gz WQGFAQAIEZHXCR-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCC)CC2 ZINC001094436576 775871474 /nfs/dbraw/zinc/87/14/74/775871474.db2.gz WQGFAQAIEZHXCR-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036895677 776007654 /nfs/dbraw/zinc/00/76/54/776007654.db2.gz BYKCFTSCZUGBPU-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036895677 776007664 /nfs/dbraw/zinc/00/76/64/776007664.db2.gz BYKCFTSCZUGBPU-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCN1CCC[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1=O ZINC001172250611 776736241 /nfs/dbraw/zinc/73/62/41/776736241.db2.gz SXEBQNRHJRHPPE-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001101009648 776820725 /nfs/dbraw/zinc/82/07/25/776820725.db2.gz WXHJKEVNWKHUMN-GPANFISMSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001101009648 776820735 /nfs/dbraw/zinc/82/07/35/776820735.db2.gz WXHJKEVNWKHUMN-GPANFISMSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001095057500 777046473 /nfs/dbraw/zinc/04/64/73/777046473.db2.gz PVAMPPSGZOXRTE-XHSDSOJGSA-N 2 1 302.422 1.737 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101575247 777265196 /nfs/dbraw/zinc/26/51/96/777265196.db2.gz ZLUOIAQUFDWWGZ-RDJZCZTQSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103149641 778668259 /nfs/dbraw/zinc/66/82/59/778668259.db2.gz GCFJWWBQXGVCKT-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103149641 778668262 /nfs/dbraw/zinc/66/82/62/778668262.db2.gz GCFJWWBQXGVCKT-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103149641 778668264 /nfs/dbraw/zinc/66/82/64/778668264.db2.gz GCFJWWBQXGVCKT-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103571144 778949784 /nfs/dbraw/zinc/94/97/84/778949784.db2.gz YMGCSIMMOUEVCS-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721481 779011724 /nfs/dbraw/zinc/01/17/24/779011724.db2.gz URVYBUZUQLFGIO-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103721481 779011732 /nfs/dbraw/zinc/01/17/32/779011732.db2.gz URVYBUZUQLFGIO-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103721481 779011742 /nfs/dbraw/zinc/01/17/42/779011742.db2.gz URVYBUZUQLFGIO-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740400 779024521 /nfs/dbraw/zinc/02/45/21/779024521.db2.gz GJGPWAMGSJSEOJ-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740400 779024532 /nfs/dbraw/zinc/02/45/32/779024532.db2.gz GJGPWAMGSJSEOJ-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740400 779024539 /nfs/dbraw/zinc/02/45/39/779024539.db2.gz GJGPWAMGSJSEOJ-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740400 779024549 /nfs/dbraw/zinc/02/45/49/779024549.db2.gz GJGPWAMGSJSEOJ-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104212380 779375037 /nfs/dbraw/zinc/37/50/37/779375037.db2.gz FVRQFDFYVSNXBY-QBPKDAKJSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111927581 779563408 /nfs/dbraw/zinc/56/34/08/779563408.db2.gz CQYYINCBPCEQEN-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111927581 779563415 /nfs/dbraw/zinc/56/34/15/779563415.db2.gz CQYYINCBPCEQEN-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111927581 779563418 /nfs/dbraw/zinc/56/34/18/779563418.db2.gz CQYYINCBPCEQEN-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001267170423 837461288 /nfs/dbraw/zinc/46/12/88/837461288.db2.gz LRGJTBKHRDBKJY-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001267170423 837461295 /nfs/dbraw/zinc/46/12/95/837461295.db2.gz LRGJTBKHRDBKJY-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CCCC[NH2+][C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001266981840 837146141 /nfs/dbraw/zinc/14/61/41/837146141.db2.gz RQPLNCOPOWAHTE-AWEZNQCLSA-N 2 1 313.405 1.941 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267113518 837374198 /nfs/dbraw/zinc/37/41/98/837374198.db2.gz NALHLIZGNXFISJ-IRXDYDNUSA-N 2 1 323.481 1.145 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267495375 838178975 /nfs/dbraw/zinc/17/89/75/838178975.db2.gz CARDVVHPXKSKAF-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267495375 838178980 /nfs/dbraw/zinc/17/89/80/838178980.db2.gz CARDVVHPXKSKAF-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267697503 838669090 /nfs/dbraw/zinc/66/90/90/838669090.db2.gz SGDIKZGKXIEZDQ-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001268236396 839872327 /nfs/dbraw/zinc/87/23/27/839872327.db2.gz GZEQWFVJSYDBFC-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001269039498 841142669 /nfs/dbraw/zinc/14/26/69/841142669.db2.gz XWFSBNRIVOHIRT-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001269039498 841142673 /nfs/dbraw/zinc/14/26/73/841142673.db2.gz XWFSBNRIVOHIRT-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001269039498 841142679 /nfs/dbraw/zinc/14/26/79/841142679.db2.gz XWFSBNRIVOHIRT-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001269039498 841142683 /nfs/dbraw/zinc/14/26/83/841142683.db2.gz XWFSBNRIVOHIRT-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001269039498 841142688 /nfs/dbraw/zinc/14/26/88/841142688.db2.gz XWFSBNRIVOHIRT-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001326222946 861208863 /nfs/dbraw/zinc/20/88/63/861208863.db2.gz MWKRAKCSNOOGJW-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001326222946 861208877 /nfs/dbraw/zinc/20/88/77/861208877.db2.gz MWKRAKCSNOOGJW-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001269333216 841530711 /nfs/dbraw/zinc/53/07/11/841530711.db2.gz UIVDMJFVSWGSDR-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001269333216 841530714 /nfs/dbraw/zinc/53/07/14/841530714.db2.gz UIVDMJFVSWGSDR-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001269333216 841530717 /nfs/dbraw/zinc/53/07/17/841530717.db2.gz UIVDMJFVSWGSDR-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001269553118 841759297 /nfs/dbraw/zinc/75/92/97/841759297.db2.gz NROLKIFDFVXBJK-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001270041791 842248950 /nfs/dbraw/zinc/24/89/50/842248950.db2.gz JNBAWXVNVFVXLB-JYJNAYRXSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001270364175 842517310 /nfs/dbraw/zinc/51/73/10/842517310.db2.gz NBZSNFDVAWJRCS-HOTGVXAUSA-N 2 1 323.456 1.612 20 30 DDEDMP C=C[C@](C)(O)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001143139688 861387146 /nfs/dbraw/zinc/38/71/46/861387146.db2.gz AGWCVINFIUXXKS-WBVHZDCISA-N 2 1 311.470 1.188 20 30 DDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)C1 ZINC001272976750 847730457 /nfs/dbraw/zinc/73/04/57/847730457.db2.gz HOVVNTDYIGDTIV-DLBZAZTESA-N 2 1 323.481 1.243 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC001034394943 848457592 /nfs/dbraw/zinc/45/75/92/848457592.db2.gz SGONFTSOKCVTEO-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394943 848457593 /nfs/dbraw/zinc/45/75/93/848457593.db2.gz SGONFTSOKCVTEO-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144510 848566436 /nfs/dbraw/zinc/56/64/36/848566436.db2.gz QIZGXWACYVAGRU-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144510 848566445 /nfs/dbraw/zinc/56/64/45/848566445.db2.gz QIZGXWACYVAGRU-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144510 848566452 /nfs/dbraw/zinc/56/64/52/848566452.db2.gz QIZGXWACYVAGRU-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001273418668 850182755 /nfs/dbraw/zinc/18/27/55/850182755.db2.gz CJBZGKLXJIAJGK-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[N@H+](C)CC)O2 ZINC001327363415 862104783 /nfs/dbraw/zinc/10/47/83/862104783.db2.gz GUFLCNWJGUVZCK-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001273457374 850844127 /nfs/dbraw/zinc/84/41/27/850844127.db2.gz OYMYPTPZEKTPTM-LSDHHAIUSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001273457374 850844132 /nfs/dbraw/zinc/84/41/32/850844132.db2.gz OYMYPTPZEKTPTM-LSDHHAIUSA-N 2 1 302.422 1.582 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150334390 862185568 /nfs/dbraw/zinc/18/55/68/862185568.db2.gz VZBYJBZMAJVTKX-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150334390 862185569 /nfs/dbraw/zinc/18/55/69/862185569.db2.gz VZBYJBZMAJVTKX-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150334390 862185574 /nfs/dbraw/zinc/18/55/74/862185574.db2.gz VZBYJBZMAJVTKX-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273828127 851391418 /nfs/dbraw/zinc/39/14/18/851391418.db2.gz ZOUBJSFHZHPZAV-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273828127 851391426 /nfs/dbraw/zinc/39/14/26/851391426.db2.gz ZOUBJSFHZHPZAV-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001274318814 852154055 /nfs/dbraw/zinc/15/40/55/852154055.db2.gz SSCHIEDEBUTRRE-DWTRPJMMSA-N 2 1 316.449 1.982 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001275588329 853402621 /nfs/dbraw/zinc/40/26/21/853402621.db2.gz AHMLIVBXBUOTPS-KGLIPLIRSA-N 2 1 304.463 1.687 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3c1CCCC3)C2 ZINC001095771907 855336482 /nfs/dbraw/zinc/33/64/82/855336482.db2.gz DSGNJEMNPZAPST-KMFMINBZSA-N 2 1 314.433 1.669 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C[C@H]1C ZINC001328288359 862868721 /nfs/dbraw/zinc/86/87/21/862868721.db2.gz ZMGQCCJATYTGBV-HUUCEWRRSA-N 2 1 304.438 1.898 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599618 858473945 /nfs/dbraw/zinc/47/39/45/858473945.db2.gz JKSYAQZBUSMLPW-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599618 858473950 /nfs/dbraw/zinc/47/39/50/858473950.db2.gz JKSYAQZBUSMLPW-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599618 858473956 /nfs/dbraw/zinc/47/39/56/858473956.db2.gz JKSYAQZBUSMLPW-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055368 858673802 /nfs/dbraw/zinc/67/38/02/858673802.db2.gz BNVPGJMNCGLENU-JFPDKAJLSA-N 2 1 305.466 1.921 20 30 DDEDMP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329146162 863501067 /nfs/dbraw/zinc/50/10/67/863501067.db2.gz KMGOXHGGITUHCI-HUUCEWRRSA-N 2 1 320.437 1.104 20 30 DDEDMP N#Cc1c(Cl)cc(Cl)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157101965 863578819 /nfs/dbraw/zinc/57/88/19/863578819.db2.gz QDIHSHCNPQTKIW-UHFFFAOYSA-N 2 1 301.181 1.935 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001329550232 863724793 /nfs/dbraw/zinc/72/47/93/863724793.db2.gz RDQTWGGQLGWWCX-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001329550232 863724802 /nfs/dbraw/zinc/72/48/02/863724802.db2.gz RDQTWGGQLGWWCX-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001329590824 863740774 /nfs/dbraw/zinc/74/07/74/863740774.db2.gz YTKJWFQHKKWOCI-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001330693289 864537471 /nfs/dbraw/zinc/53/74/71/864537471.db2.gz BPUIGVFLMIMDEC-BQFCYCMXSA-N 2 1 305.466 1.923 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001158289485 864544005 /nfs/dbraw/zinc/54/40/05/864544005.db2.gz HKLJOLKDOGJMCV-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001330898420 864688113 /nfs/dbraw/zinc/68/81/13/864688113.db2.gz HMMPBEQLOIIRJS-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3ccnc3)CCC[C@@H]12 ZINC001332111447 865585432 /nfs/dbraw/zinc/58/54/32/865585432.db2.gz NALOBQZADILDAF-LZLYRXPVSA-N 2 1 314.433 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001332202545 865660308 /nfs/dbraw/zinc/66/03/08/865660308.db2.gz BXQMSKJDHHNTJB-RDJZCZTQSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC(C)C)CC1 ZINC001160386202 865809445 /nfs/dbraw/zinc/80/94/45/865809445.db2.gz MHHZLAKFDDUAOH-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160386202 865809453 /nfs/dbraw/zinc/80/94/53/865809453.db2.gz MHHZLAKFDDUAOH-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(C)C)CC1 ZINC001160386202 865809459 /nfs/dbraw/zinc/80/94/59/865809459.db2.gz MHHZLAKFDDUAOH-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(C)C)CC1 ZINC001160386202 865809470 /nfs/dbraw/zinc/80/94/70/865809470.db2.gz MHHZLAKFDDUAOH-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001319890487 866366957 /nfs/dbraw/zinc/36/69/57/866366957.db2.gz NJPVJETWAWYJCD-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001319890487 866366965 /nfs/dbraw/zinc/36/69/65/866366965.db2.gz NJPVJETWAWYJCD-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001319890487 866366975 /nfs/dbraw/zinc/36/69/75/866366975.db2.gz NJPVJETWAWYJCD-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001323637069 866739176 /nfs/dbraw/zinc/73/91/76/866739176.db2.gz JAYNSVCDAHFJNS-KRWDZBQOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323637069 866739182 /nfs/dbraw/zinc/73/91/82/866739182.db2.gz JAYNSVCDAHFJNS-KRWDZBQOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323637069 866739194 /nfs/dbraw/zinc/73/91/94/866739194.db2.gz JAYNSVCDAHFJNS-KRWDZBQOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001324632748 867418508 /nfs/dbraw/zinc/41/85/08/867418508.db2.gz MOWLLGCLTWPYLA-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324960956 867661503 /nfs/dbraw/zinc/66/15/03/867661503.db2.gz LPZTYDPKGULFNU-SFHVURJKSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324960956 867661518 /nfs/dbraw/zinc/66/15/18/867661518.db2.gz LPZTYDPKGULFNU-SFHVURJKSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324960956 867661522 /nfs/dbraw/zinc/66/15/22/867661522.db2.gz LPZTYDPKGULFNU-SFHVURJKSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCOCC1 ZINC001325036391 867712573 /nfs/dbraw/zinc/71/25/73/867712573.db2.gz CTYBEWWKFZEZCT-IYBDPMFKSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163082415 868069458 /nfs/dbraw/zinc/06/94/58/868069458.db2.gz ROCFCUDVXBUUEE-ZDUSSCGKSA-N 2 1 313.405 1.798 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596956 869315520 /nfs/dbraw/zinc/31/55/20/869315520.db2.gz UKOOXBQHAMLDPQ-HZPDHXFCSA-N 2 1 321.465 1.302 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485107 869616676 /nfs/dbraw/zinc/61/66/76/869616676.db2.gz MEKIFKBRRAVZGW-HNNXBMFYSA-N 2 1 314.433 1.660 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166708399 870180158 /nfs/dbraw/zinc/18/01/58/870180158.db2.gz PUVOUYWGEHWBBK-JQWIXIFHSA-N 2 1 318.259 1.189 20 30 DDEDMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001317391010 870756754 /nfs/dbraw/zinc/75/67/54/870756754.db2.gz ZOTICDJNWGHFCT-SJLPKXTDSA-N 2 1 313.445 1.617 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203816187 870776773 /nfs/dbraw/zinc/77/67/73/870776773.db2.gz YPWSVFSFPWNYNY-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203816187 870776779 /nfs/dbraw/zinc/77/67/79/870776779.db2.gz YPWSVFSFPWNYNY-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317546849 871042795 /nfs/dbraw/zinc/04/27/95/871042795.db2.gz KMHRJNLZCONLPH-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317546849 871042813 /nfs/dbraw/zinc/04/28/13/871042813.db2.gz KMHRJNLZCONLPH-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317585646 871143517 /nfs/dbraw/zinc/14/35/17/871143517.db2.gz UBLGLCDSRGWFQD-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001205519148 871604139 /nfs/dbraw/zinc/60/41/39/871604139.db2.gz WZLVDXFQKBUDGW-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317949998 871647882 /nfs/dbraw/zinc/64/78/82/871647882.db2.gz RWJBPTWMDWPAGG-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317949998 871647884 /nfs/dbraw/zinc/64/78/84/871647884.db2.gz RWJBPTWMDWPAGG-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317949998 871647886 /nfs/dbraw/zinc/64/78/86/871647886.db2.gz RWJBPTWMDWPAGG-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001341699931 871781965 /nfs/dbraw/zinc/78/19/65/871781965.db2.gz HZRBMNSUASABEF-HNNXBMFYSA-N 2 1 318.421 1.809 20 30 DDEDMP C#CCC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001316869329 871785587 /nfs/dbraw/zinc/78/55/87/871785587.db2.gz GNWNHYZSFSUXDX-QGZVFWFLSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316880288 871817090 /nfs/dbraw/zinc/81/70/90/871817090.db2.gz LOZKKLGVCFZMQP-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001206287242 872187075 /nfs/dbraw/zinc/18/70/75/872187075.db2.gz ATBIVQOJCPQSCD-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001318726419 872229757 /nfs/dbraw/zinc/22/97/57/872229757.db2.gz IINVNHJCUNINNS-SJLPKXTDSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001318726419 872229765 /nfs/dbraw/zinc/22/97/65/872229765.db2.gz IINVNHJCUNINNS-SJLPKXTDSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001206587490 872456435 /nfs/dbraw/zinc/45/64/35/872456435.db2.gz IQXQIHHPDUVFMQ-UHFFFAOYSA-N 2 1 323.481 1.503 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3[O-])[C@@H]2C1 ZINC001276493211 872597617 /nfs/dbraw/zinc/59/76/17/872597617.db2.gz GPNZSKYDUNQIIG-DOTOQJQBSA-N 2 1 314.433 1.332 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3O)[C@@H]2C1 ZINC001276493211 872597626 /nfs/dbraw/zinc/59/76/26/872597626.db2.gz GPNZSKYDUNQIIG-DOTOQJQBSA-N 2 1 314.433 1.332 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3O)[C@@H]2C1 ZINC001276493211 872597635 /nfs/dbraw/zinc/59/76/35/872597635.db2.gz GPNZSKYDUNQIIG-DOTOQJQBSA-N 2 1 314.433 1.332 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC/C=C/CC ZINC001319471494 872650264 /nfs/dbraw/zinc/65/02/64/872650264.db2.gz CWYVRNQEZGHDQZ-FNQZAJIHSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC/C=C/CC ZINC001319471494 872650270 /nfs/dbraw/zinc/65/02/70/872650270.db2.gz CWYVRNQEZGHDQZ-FNQZAJIHSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163569 873883387 /nfs/dbraw/zinc/88/33/87/873883387.db2.gz JWFWVXPOFWJZFO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208362153 874060159 /nfs/dbraw/zinc/06/01/59/874060159.db2.gz LGIRXUSMPDCTMA-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208758918 874444462 /nfs/dbraw/zinc/44/44/62/874444462.db2.gz OIDXTMOMJHBFBD-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276586866 874452486 /nfs/dbraw/zinc/45/24/86/874452486.db2.gz QVUPZFPPEOTVEO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001276586866 874452492 /nfs/dbraw/zinc/45/24/92/874452492.db2.gz QVUPZFPPEOTVEO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001276586866 874452495 /nfs/dbraw/zinc/45/24/95/874452495.db2.gz QVUPZFPPEOTVEO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209640320 875026768 /nfs/dbraw/zinc/02/67/68/875026768.db2.gz AULXNVKCNSOOAS-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001381888153 882902727 /nfs/dbraw/zinc/90/27/27/882902727.db2.gz GEKYWEUEQPJJDR-QKDCVEJESA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001381888153 882902742 /nfs/dbraw/zinc/90/27/42/882902742.db2.gz GEKYWEUEQPJJDR-QKDCVEJESA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001381888153 882902759 /nfs/dbraw/zinc/90/27/59/882902759.db2.gz GEKYWEUEQPJJDR-QKDCVEJESA-N 2 1 311.857 1.517 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434433 875936221 /nfs/dbraw/zinc/93/62/21/875936221.db2.gz BMCGIVXQMKGFEX-OWCLPIDISA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001213442867 875939505 /nfs/dbraw/zinc/93/95/05/875939505.db2.gz XSVKVZMYTOFDGK-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001213442867 875939509 /nfs/dbraw/zinc/93/95/09/875939509.db2.gz XSVKVZMYTOFDGK-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001213442867 875939513 /nfs/dbraw/zinc/93/95/13/875939513.db2.gz XSVKVZMYTOFDGK-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929676 876105773 /nfs/dbraw/zinc/10/57/73/876105773.db2.gz GTOYBDNUNKEHDU-ARFHVFGLSA-N 2 1 311.470 1.497 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929676 876105779 /nfs/dbraw/zinc/10/57/79/876105779.db2.gz GTOYBDNUNKEHDU-ARFHVFGLSA-N 2 1 311.470 1.497 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929676 876105786 /nfs/dbraw/zinc/10/57/86/876105786.db2.gz GTOYBDNUNKEHDU-ARFHVFGLSA-N 2 1 311.470 1.497 20 30 DDEDMP COc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(C#N)c1 ZINC001222497496 880512014 /nfs/dbraw/zinc/51/20/14/880512014.db2.gz NAHJHHPGCVTBLA-IRXDYDNUSA-N 2 1 300.406 1.093 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001276841031 880712290 /nfs/dbraw/zinc/71/22/90/880712290.db2.gz UJSSNNHSPCMSOY-BZSNNMDCSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001276841031 880712298 /nfs/dbraw/zinc/71/22/98/880712298.db2.gz UJSSNNHSPCMSOY-BZSNNMDCSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001276841031 880712312 /nfs/dbraw/zinc/71/23/12/880712312.db2.gz UJSSNNHSPCMSOY-BZSNNMDCSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC=C)CC1 ZINC001223495632 880981696 /nfs/dbraw/zinc/98/16/96/880981696.db2.gz UMBYVXMANLWWHL-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC=C)CC1 ZINC001223495632 880981704 /nfs/dbraw/zinc/98/17/04/880981704.db2.gz UMBYVXMANLWWHL-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223831263 881115257 /nfs/dbraw/zinc/11/52/57/881115257.db2.gz DMJMPRISAQZBJE-UHFFFAOYSA-N 2 1 320.437 1.222 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001227832806 883194797 /nfs/dbraw/zinc/19/47/97/883194797.db2.gz OURDMFHYEUTREH-UHFFFAOYSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001277528926 885711994 /nfs/dbraw/zinc/71/19/94/885711994.db2.gz RUNUNZRPIFZHHU-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001234413130 887946532 /nfs/dbraw/zinc/94/65/32/887946532.db2.gz GWPAONSOCUKBKT-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001277941223 888601385 /nfs/dbraw/zinc/60/13/85/888601385.db2.gz MUQREODVTCDMKH-SFHVURJKSA-N 2 1 313.445 1.375 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246156343 892451389 /nfs/dbraw/zinc/45/13/89/892451389.db2.gz JMXGTJFXHZROKS-NUEKZKHPSA-N 2 1 301.434 1.622 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246303564 892525724 /nfs/dbraw/zinc/52/57/24/892525724.db2.gz ITKRRNABXWUOTO-CABCVRRESA-N 3 1 309.454 1.478 20 30 DDEDMP COC(=O)[C@@H]1C[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C[NH2+]1 ZINC001246322535 892538852 /nfs/dbraw/zinc/53/88/52/892538852.db2.gz AECNOYSFRFPLPH-ZFWWWQNUSA-N 2 1 312.373 1.090 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366272763 892978471 /nfs/dbraw/zinc/97/84/71/892978471.db2.gz UAOGPKUGCCSPKA-CJNGLKHVSA-N 2 1 300.406 1.247 20 30 DDEDMP C=C[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001253580695 895912259 /nfs/dbraw/zinc/91/22/59/895912259.db2.gz DWXOPSLWBDIBTG-FGTMMUONSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001253580695 895912270 /nfs/dbraw/zinc/91/22/70/895912270.db2.gz DWXOPSLWBDIBTG-FGTMMUONSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001253580695 895912276 /nfs/dbraw/zinc/91/22/76/895912276.db2.gz DWXOPSLWBDIBTG-FGTMMUONSA-N 2 1 317.433 1.151 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001278752632 896189723 /nfs/dbraw/zinc/18/97/23/896189723.db2.gz JYXSMTWGEMATEM-AWEZNQCLSA-N 2 1 317.424 1.978 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001278752632 896189732 /nfs/dbraw/zinc/18/97/32/896189732.db2.gz JYXSMTWGEMATEM-AWEZNQCLSA-N 2 1 317.424 1.978 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001278752632 896189740 /nfs/dbraw/zinc/18/97/40/896189740.db2.gz JYXSMTWGEMATEM-AWEZNQCLSA-N 2 1 317.424 1.978 20 30 DDEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001278781452 896413461 /nfs/dbraw/zinc/41/34/61/896413461.db2.gz IMKKHGXWZIVMGT-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278781452 896413466 /nfs/dbraw/zinc/41/34/66/896413466.db2.gz IMKKHGXWZIVMGT-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001278781452 896413471 /nfs/dbraw/zinc/41/34/71/896413471.db2.gz IMKKHGXWZIVMGT-LZLYRXPVSA-N 2 1 323.481 1.236 20 30 DDEDMP Cc1[nH+]ccn1CCCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001262035557 899906048 /nfs/dbraw/zinc/90/60/48/899906048.db2.gz NLFGLTOSKZHMMJ-ISXOHVOVSA-N 2 1 315.421 1.227 20 30 DDEDMP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001263103792 900500677 /nfs/dbraw/zinc/50/06/77/900500677.db2.gz MDHGZXIWLNIAJT-JKSUJKDBSA-N 2 1 312.502 1.426 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001265068471 901514726 /nfs/dbraw/zinc/51/47/26/901514726.db2.gz LGTJGEBIQFLXIU-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001265068471 901514737 /nfs/dbraw/zinc/51/47/37/901514737.db2.gz LGTJGEBIQFLXIU-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001265068471 901514750 /nfs/dbraw/zinc/51/47/50/901514750.db2.gz LGTJGEBIQFLXIU-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001280307946 903589601 /nfs/dbraw/zinc/58/96/01/903589601.db2.gz PLVUEGOOIKYDCC-AWEZNQCLSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001316603964 903755464 /nfs/dbraw/zinc/75/54/64/903755464.db2.gz FBWKHJISHOZODI-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316603964 903755475 /nfs/dbraw/zinc/75/54/75/903755475.db2.gz FBWKHJISHOZODI-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316603964 903755483 /nfs/dbraw/zinc/75/54/83/903755483.db2.gz FBWKHJISHOZODI-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001280629891 903861636 /nfs/dbraw/zinc/86/16/36/903861636.db2.gz NALFJFNARHMNNQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001316609175 904614854 /nfs/dbraw/zinc/61/48/54/904614854.db2.gz KHPCVQFZAXZREP-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001281500494 904943673 /nfs/dbraw/zinc/94/36/73/904943673.db2.gz XOYHDHBKEQQFSP-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001281877085 905284151 /nfs/dbraw/zinc/28/41/51/905284151.db2.gz CQODLVUZQPWNMR-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001281980792 905385925 /nfs/dbraw/zinc/38/59/25/905385925.db2.gz LHPLGMCRGQEEGB-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001283176548 906811217 /nfs/dbraw/zinc/81/12/17/906811217.db2.gz HVAREYCVAJQENZ-IXDOHACOSA-N 2 1 323.481 1.241 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001297280713 916860338 /nfs/dbraw/zinc/86/03/38/916860338.db2.gz JHEHTCPQYGBFFR-KRWDZBQOSA-N 2 1 301.434 1.743 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001376350258 918294164 /nfs/dbraw/zinc/29/41/64/918294164.db2.gz TYHOQPQOIJDXFJ-KGLIPLIRSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001377788362 923041942 /nfs/dbraw/zinc/04/19/42/923041942.db2.gz FFVPHSJREZZWNS-OAHLLOKOSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001377788362 923041955 /nfs/dbraw/zinc/04/19/55/923041955.db2.gz FFVPHSJREZZWNS-OAHLLOKOSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001377788362 923041969 /nfs/dbraw/zinc/04/19/69/923041969.db2.gz FFVPHSJREZZWNS-OAHLLOKOSA-N 2 1 313.873 1.861 20 30 DDEDMP C[N@@H+](CCCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)C1CC1 ZINC000419304669 529884038 /nfs/dbraw/zinc/88/40/38/529884038.db2.gz VCPOLOZKBKUAHT-MRXNPFEDSA-N 2 1 300.406 1.549 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080836598 353633012 /nfs/dbraw/zinc/63/30/12/353633012.db2.gz OQDKMQPEMSAOGD-KRWDZBQOSA-N 2 1 318.465 1.982 20 30 DDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000320726148 354529001 /nfs/dbraw/zinc/52/90/01/354529001.db2.gz WQGXDOQCRAQRBM-HNNXBMFYSA-N 2 1 300.362 1.093 20 30 DDEDMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594440222 356215780 /nfs/dbraw/zinc/21/57/80/356215780.db2.gz ADTVCDIRPQIHMX-XHSDSOJGSA-N 2 1 324.469 1.403 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000596425682 356875012 /nfs/dbraw/zinc/87/50/12/356875012.db2.gz UOZREKYBFPFVAC-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000596425682 356875017 /nfs/dbraw/zinc/87/50/17/356875017.db2.gz UOZREKYBFPFVAC-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000171680236 407738497 /nfs/dbraw/zinc/73/84/97/407738497.db2.gz CDCLYSZYVPWOSX-OAHLLOKOSA-N 2 1 308.470 1.810 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(C)(C)O)cc1 ZINC000187041824 407814829 /nfs/dbraw/zinc/81/48/29/407814829.db2.gz VLBBTYRRMLMVNW-MRXNPFEDSA-N 2 1 318.465 1.803 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272792956 408012384 /nfs/dbraw/zinc/01/23/84/408012384.db2.gz CLOFQEWFEFLDCH-CJNGLKHVSA-N 2 1 304.438 1.456 20 30 DDEDMP CCNC(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)=[NH+]CC ZINC000272903684 408019076 /nfs/dbraw/zinc/01/90/76/408019076.db2.gz KEPADRMIQMLOLR-MRXNPFEDSA-N 2 1 304.438 1.328 20 30 DDEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])N(C)C3CC3)c2)CCO1 ZINC000273364744 408168236 /nfs/dbraw/zinc/16/82/36/408168236.db2.gz UEFKKGFKRIHLTO-AWEZNQCLSA-N 2 1 316.449 1.816 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])N(C)C3CC3)c2)CCO1 ZINC000273364744 408168242 /nfs/dbraw/zinc/16/82/42/408168242.db2.gz UEFKKGFKRIHLTO-AWEZNQCLSA-N 2 1 316.449 1.816 20 30 DDEDMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282396 408332016 /nfs/dbraw/zinc/33/20/16/408332016.db2.gz JNKRVIMZBBVRSR-JKSUJKDBSA-N 2 1 308.470 1.658 20 30 DDEDMP CCNC(NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)=[NH+]CC ZINC000161547801 408614765 /nfs/dbraw/zinc/61/47/65/408614765.db2.gz AEEFUCHIMMDSIW-OAHLLOKOSA-N 2 1 318.465 1.982 20 30 DDEDMP CCNC(NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)=[NH+]CC ZINC000161547801 408614769 /nfs/dbraw/zinc/61/47/69/408614769.db2.gz AEEFUCHIMMDSIW-OAHLLOKOSA-N 2 1 318.465 1.982 20 30 DDEDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000358163226 410389799 /nfs/dbraw/zinc/38/97/99/410389799.db2.gz IRYWHVFEHCEUMM-QGZVFWFLSA-N 2 1 303.406 1.525 20 30 DDEDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000358163226 410389804 /nfs/dbraw/zinc/38/98/04/410389804.db2.gz IRYWHVFEHCEUMM-QGZVFWFLSA-N 2 1 303.406 1.525 20 30 DDEDMP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCn3ccnc3C2)CC1 ZINC000330284725 410610667 /nfs/dbraw/zinc/61/06/67/410610667.db2.gz XXDUCRGTYHRSRE-CQSZACIVSA-N 2 1 305.426 1.528 20 30 DDEDMP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCn3ccnc3C2)CC1 ZINC000330284725 410610673 /nfs/dbraw/zinc/61/06/73/410610673.db2.gz XXDUCRGTYHRSRE-CQSZACIVSA-N 2 1 305.426 1.528 20 30 DDEDMP C=CCNC(=O)[C@@H](C)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117211 418562059 /nfs/dbraw/zinc/56/20/59/418562059.db2.gz MJNUNDUBGUWLDK-OAHLLOKOSA-N 2 1 316.449 1.669 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264322423 222330969 /nfs/dbraw/zinc/33/09/69/222330969.db2.gz YAXPLSRUZWWJBK-GXTWGEPZSA-N 2 1 308.426 1.664 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N[C@H]1CCC(=O)N(C)C1 ZINC000262767425 222292325 /nfs/dbraw/zinc/29/23/25/222292325.db2.gz HTAKPLSARPKVKJ-GJZGRUSLSA-N 2 1 323.485 1.037 20 30 DDEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000262792924 222294451 /nfs/dbraw/zinc/29/44/51/222294451.db2.gz LCQUOFDARYDXIC-CQSZACIVSA-N 2 1 318.469 1.186 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCCCC2)O1 ZINC000263163147 222305211 /nfs/dbraw/zinc/30/52/11/222305211.db2.gz PDYOAIPAEKEHEX-LSDHHAIUSA-N 2 1 324.469 1.451 20 30 DDEDMP CC[NH+]1CCN(C[C@H](C)CNC(NCc2ccco2)=[NH+]C)CC1 ZINC000264040863 222311648 /nfs/dbraw/zinc/31/16/48/222311648.db2.gz ISBZMUNTLORPOC-OAHLLOKOSA-N 2 1 321.469 1.218 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cccc(F)c1 ZINC000264071007 222312529 /nfs/dbraw/zinc/31/25/29/222312529.db2.gz DDWQHLIHDBXACK-CABCVRRESA-N 2 1 308.401 1.248 20 30 DDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC2CC2)CC1 ZINC000264106202 222318627 /nfs/dbraw/zinc/31/86/27/222318627.db2.gz PRJPQGFYCRWEFM-UHFFFAOYSA-N 2 1 315.465 1.391 20 30 DDEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375808919 418689106 /nfs/dbraw/zinc/68/91/06/418689106.db2.gz DPAUMBWDELBMNX-LSDHHAIUSA-N 2 1 302.422 1.781 20 30 DDEDMP C#CCNC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375808919 418689108 /nfs/dbraw/zinc/68/91/08/418689108.db2.gz DPAUMBWDELBMNX-LSDHHAIUSA-N 2 1 302.422 1.781 20 30 DDEDMP C=CCN(C(=O)[C@@H]([NH3+])COC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376103219 418692677 /nfs/dbraw/zinc/69/26/77/418692677.db2.gz MDQHATWUVSZESA-IRXDYDNUSA-N 2 1 317.433 1.249 20 30 DDEDMP C=CCN(C(=O)[C@H]([NH3+])COC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376103217 418692936 /nfs/dbraw/zinc/69/29/36/418692936.db2.gz MDQHATWUVSZESA-DLBZAZTESA-N 2 1 317.433 1.249 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414647 418765267 /nfs/dbraw/zinc/76/52/67/418765267.db2.gz PTQMDZYQWLRAGV-WNRNVDISSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414647 418765269 /nfs/dbraw/zinc/76/52/69/418765269.db2.gz PTQMDZYQWLRAGV-WNRNVDISSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414647 418765270 /nfs/dbraw/zinc/76/52/70/418765270.db2.gz PTQMDZYQWLRAGV-WNRNVDISSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414647 418765272 /nfs/dbraw/zinc/76/52/72/418765272.db2.gz PTQMDZYQWLRAGV-WNRNVDISSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCc1cc(C[NH2+]C[C@@H]2CNCCN2C)cc(OC)c1O ZINC000414971600 419899415 /nfs/dbraw/zinc/89/94/15/419899415.db2.gz WQDVGSBIPKRQRZ-HNNXBMFYSA-N 2 1 305.422 1.123 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000448852802 420906238 /nfs/dbraw/zinc/90/62/38/420906238.db2.gz MFEOIXBHOURFOK-ZACQAIPSSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000491120705 421194783 /nfs/dbraw/zinc/19/47/83/421194783.db2.gz MVTHOZBMELECOM-CABCVRRESA-N 2 1 319.409 1.820 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000491120705 421194785 /nfs/dbraw/zinc/19/47/85/421194785.db2.gz MVTHOZBMELECOM-CABCVRRESA-N 2 1 319.409 1.820 20 30 DDEDMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000573437827 421963221 /nfs/dbraw/zinc/96/32/21/421963221.db2.gz MVQKESUGAPNMGG-SJORKVTESA-N 2 1 310.486 1.150 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nc(C#N)cs1 ZINC000356293715 266145573 /nfs/dbraw/zinc/14/55/73/266145573.db2.gz FKADODGQOCVHJE-OAHLLOKOSA-N 2 1 321.494 1.863 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C#N ZINC000542878096 341024673 /nfs/dbraw/zinc/02/46/73/341024673.db2.gz TXBVEINVUMBTBJ-LSDHHAIUSA-N 2 1 309.458 1.204 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000491730614 526810363 /nfs/dbraw/zinc/81/03/63/526810363.db2.gz PJVRCUHZYHJSEO-KRWDZBQOSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000971923493 695123215 /nfs/dbraw/zinc/12/32/15/695123215.db2.gz VESSBLZDUZZNQL-HNNXBMFYSA-N 2 1 309.373 1.047 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972700909 695319230 /nfs/dbraw/zinc/31/92/30/695319230.db2.gz QIPMQLYTLCHFGG-QGZVFWFLSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978203206 696341157 /nfs/dbraw/zinc/34/11/57/696341157.db2.gz WVARMTHRQHPZGE-VQHPVUNQSA-N 2 1 303.450 1.198 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981153360 697020111 /nfs/dbraw/zinc/02/01/11/697020111.db2.gz XZFOSJDDNLTVOO-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153360 697020113 /nfs/dbraw/zinc/02/01/13/697020113.db2.gz XZFOSJDDNLTVOO-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981153360 697020117 /nfs/dbraw/zinc/02/01/17/697020117.db2.gz XZFOSJDDNLTVOO-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324391 697066216 /nfs/dbraw/zinc/06/62/16/697066216.db2.gz JVNGMLAHTYSNDC-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324391 697066219 /nfs/dbraw/zinc/06/62/19/697066219.db2.gz JVNGMLAHTYSNDC-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324391 697066222 /nfs/dbraw/zinc/06/62/22/697066222.db2.gz JVNGMLAHTYSNDC-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000981324391 697066223 /nfs/dbraw/zinc/06/62/23/697066223.db2.gz JVNGMLAHTYSNDC-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC2CC2)CC1 ZINC000981361615 697075966 /nfs/dbraw/zinc/07/59/66/697075966.db2.gz VFFMOFGFRRRUGF-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC2CC2)CC1 ZINC000981361615 697075969 /nfs/dbraw/zinc/07/59/69/697075969.db2.gz VFFMOFGFRRRUGF-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC2CC2)CC1 ZINC000981361615 697075972 /nfs/dbraw/zinc/07/59/72/697075972.db2.gz VFFMOFGFRRRUGF-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000981361615 697075975 /nfs/dbraw/zinc/07/59/75/697075975.db2.gz VFFMOFGFRRRUGF-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296070 697086349 /nfs/dbraw/zinc/08/63/49/697086349.db2.gz JDTKIISGSFVASQ-RYQLBKOJSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981525860 697118661 /nfs/dbraw/zinc/11/86/61/697118661.db2.gz TUMGPIQWWJCQJK-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981525860 697118662 /nfs/dbraw/zinc/11/86/62/697118662.db2.gz TUMGPIQWWJCQJK-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981525860 697118663 /nfs/dbraw/zinc/11/86/63/697118663.db2.gz TUMGPIQWWJCQJK-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000983902152 697313286 /nfs/dbraw/zinc/31/32/86/697313286.db2.gz SFJJXWUQXPKENT-ULQDDVLXSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC2)C1 ZINC000983902152 697313288 /nfs/dbraw/zinc/31/32/88/697313288.db2.gz SFJJXWUQXPKENT-ULQDDVLXSA-N 2 1 303.450 1.369 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190528264 697592730 /nfs/dbraw/zinc/59/27/30/697592730.db2.gz HXAWBBSXOWNWLL-WBVHZDCISA-N 2 1 318.465 1.980 20 30 DDEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000303791432 698607779 /nfs/dbraw/zinc/60/77/79/698607779.db2.gz XODBKECWWCCQPW-CVEARBPZSA-N 3 1 311.518 1.741 20 30 DDEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)N(C)C ZINC000303791432 698607781 /nfs/dbraw/zinc/60/77/81/698607781.db2.gz XODBKECWWCCQPW-CVEARBPZSA-N 2 1 311.518 1.741 20 30 DDEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)N(C)C ZINC000303791432 698607783 /nfs/dbraw/zinc/60/77/83/698607783.db2.gz XODBKECWWCCQPW-CVEARBPZSA-N 2 1 311.518 1.741 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc(C(C)C)no1 ZINC000303869061 698607810 /nfs/dbraw/zinc/60/78/10/698607810.db2.gz DOKVVJHNKPQWQO-CYBMUJFWSA-N 2 1 322.457 1.514 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000304754654 698624469 /nfs/dbraw/zinc/62/44/69/698624469.db2.gz MAIJGGBIMBEBSQ-GFCCVEGCSA-N 2 1 306.410 1.772 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989451576 698626507 /nfs/dbraw/zinc/62/65/07/698626507.db2.gz UEBRIQZBEPRCNI-KBPBESRZSA-N 2 1 316.405 1.096 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305839798 698658755 /nfs/dbraw/zinc/65/87/55/698658755.db2.gz YQCYKZVSPJBQCV-CVEARBPZSA-N 3 1 309.502 1.640 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989670734 698718634 /nfs/dbraw/zinc/71/86/34/698718634.db2.gz HZFMDTYZKQKETB-MRXNPFEDSA-N 2 1 309.454 1.065 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000803730094 701138850 /nfs/dbraw/zinc/13/88/50/701138850.db2.gz UDZYKOUNECYZCE-KRWDZBQOSA-N 2 1 301.434 1.490 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000803730094 701138853 /nfs/dbraw/zinc/13/88/53/701138853.db2.gz UDZYKOUNECYZCE-KRWDZBQOSA-N 2 1 301.434 1.490 20 30 DDEDMP C#C[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000820086476 704218974 /nfs/dbraw/zinc/21/89/74/704218974.db2.gz FMVFRSAQLKUKOE-JKSUJKDBSA-N 2 1 308.470 1.313 20 30 DDEDMP C#C[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000820086476 704218976 /nfs/dbraw/zinc/21/89/76/704218976.db2.gz FMVFRSAQLKUKOE-JKSUJKDBSA-N 2 1 308.470 1.313 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876737315 705849392 /nfs/dbraw/zinc/84/93/92/705849392.db2.gz POYKUIPKFQXZQP-YOEHRIQHSA-N 2 1 310.401 1.098 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000876737315 705849393 /nfs/dbraw/zinc/84/93/93/705849393.db2.gz POYKUIPKFQXZQP-YOEHRIQHSA-N 2 1 310.401 1.098 20 30 DDEDMP C#C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000827554255 706025781 /nfs/dbraw/zinc/02/57/81/706025781.db2.gz BVQQEQANKCWEKA-ZWKOTPCHSA-N 2 1 306.450 1.648 20 30 DDEDMP COCC[N@H+](C)CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865413085 706424698 /nfs/dbraw/zinc/42/46/98/706424698.db2.gz XQROPUSZMGNQGN-UHFFFAOYSA-N 2 1 304.438 1.682 20 30 DDEDMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865413085 706424700 /nfs/dbraw/zinc/42/47/00/706424700.db2.gz XQROPUSZMGNQGN-UHFFFAOYSA-N 2 1 304.438 1.682 20 30 DDEDMP C#CC[C@@H](COC)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872216597 707333787 /nfs/dbraw/zinc/33/37/87/707333787.db2.gz XZHHFRRWGKEPEG-ROUUACIJSA-N 2 1 302.418 1.251 20 30 DDEDMP C#CC[C@@H](COC)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872216597 707333789 /nfs/dbraw/zinc/33/37/89/707333789.db2.gz XZHHFRRWGKEPEG-ROUUACIJSA-N 2 1 302.418 1.251 20 30 DDEDMP C=CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883185054 707950391 /nfs/dbraw/zinc/95/03/91/707950391.db2.gz NCZZKGYUQRTJFE-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000884196779 708183306 /nfs/dbraw/zinc/18/33/06/708183306.db2.gz AVPUFHYDCNDZGN-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000884196779 708183309 /nfs/dbraw/zinc/18/33/09/708183309.db2.gz AVPUFHYDCNDZGN-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884210765 708192157 /nfs/dbraw/zinc/19/21/57/708192157.db2.gz IZELOCOOCDBTLS-GWUWNPHMSA-N 2 1 304.438 1.116 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000884410878 708285331 /nfs/dbraw/zinc/28/53/31/708285331.db2.gz VNRPODIYGGEZLR-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000884410878 708285337 /nfs/dbraw/zinc/28/53/37/708285337.db2.gz VNRPODIYGGEZLR-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000884410878 708285338 /nfs/dbraw/zinc/28/53/38/708285338.db2.gz VNRPODIYGGEZLR-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000884410878 708285342 /nfs/dbraw/zinc/28/53/42/708285342.db2.gz VNRPODIYGGEZLR-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000888167889 709231389 /nfs/dbraw/zinc/23/13/89/709231389.db2.gz NKNHLTNBNXAWQA-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000888167889 709231390 /nfs/dbraw/zinc/23/13/90/709231390.db2.gz NKNHLTNBNXAWQA-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)C1 ZINC000890362442 709834555 /nfs/dbraw/zinc/83/45/55/709834555.db2.gz CKQFSSABGXJDEL-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)C1 ZINC000890362442 709834557 /nfs/dbraw/zinc/83/45/57/709834557.db2.gz CKQFSSABGXJDEL-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC)[C@@H]2CC[NH+](CC)C2)C1 ZINC000890362442 709834560 /nfs/dbraw/zinc/83/45/60/709834560.db2.gz CKQFSSABGXJDEL-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC)[C@@H]2CC[NH+](CC)C2)C1 ZINC000890362442 709834563 /nfs/dbraw/zinc/83/45/63/709834563.db2.gz CKQFSSABGXJDEL-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000890364889 709837574 /nfs/dbraw/zinc/83/75/74/709837574.db2.gz KRYXGUYLYPETGJ-INIZCTEOSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000890364889 709837576 /nfs/dbraw/zinc/83/75/76/709837576.db2.gz KRYXGUYLYPETGJ-INIZCTEOSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000890368874 709841990 /nfs/dbraw/zinc/84/19/90/709841990.db2.gz NUBFMKOMFJNLGD-IKGGRYGDSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000890368874 709841993 /nfs/dbraw/zinc/84/19/93/709841993.db2.gz NUBFMKOMFJNLGD-IKGGRYGDSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000890368874 709841996 /nfs/dbraw/zinc/84/19/96/709841996.db2.gz NUBFMKOMFJNLGD-IKGGRYGDSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000890368874 709842004 /nfs/dbraw/zinc/84/20/04/709842004.db2.gz NUBFMKOMFJNLGD-IKGGRYGDSA-N 2 1 320.481 1.598 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900979374 709859630 /nfs/dbraw/zinc/85/96/30/709859630.db2.gz BDDANEYOBGFLEG-IYBDPMFKSA-N 2 1 311.470 1.500 20 30 DDEDMP N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)o1 ZINC000903506202 711157014 /nfs/dbraw/zinc/15/70/14/711157014.db2.gz OLUAKFCJYZVCON-GASCZTMLSA-N 2 1 300.406 1.552 20 30 DDEDMP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)ccc1C#N ZINC000895770967 711601874 /nfs/dbraw/zinc/60/18/74/711601874.db2.gz SYUFWXVRXXRBSG-KGLIPLIRSA-N 2 1 300.410 1.185 20 30 DDEDMP C[NH+]1CC[C@@H]1CNc1ccc(C#N)c(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895770967 711601876 /nfs/dbraw/zinc/60/18/76/711601876.db2.gz SYUFWXVRXXRBSG-KGLIPLIRSA-N 2 1 300.410 1.185 20 30 DDEDMP C[NH+]1CC[C@@H]1CNc1ccc(C#N)c(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895770967 711601878 /nfs/dbraw/zinc/60/18/78/711601878.db2.gz SYUFWXVRXXRBSG-KGLIPLIRSA-N 2 1 300.410 1.185 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000922632046 714105902 /nfs/dbraw/zinc/10/59/02/714105902.db2.gz YHSVJURQCQJCBR-MRXNPFEDSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1CC(C)C ZINC000922632046 714105905 /nfs/dbraw/zinc/10/59/05/714105905.db2.gz YHSVJURQCQJCBR-MRXNPFEDSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1CC(C)C ZINC000922632046 714105908 /nfs/dbraw/zinc/10/59/08/714105908.db2.gz YHSVJURQCQJCBR-MRXNPFEDSA-N 2 1 308.470 1.313 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000923327979 714315916 /nfs/dbraw/zinc/31/59/16/714315916.db2.gz QJOYJODTMKNTDC-INIZCTEOSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961193763 716856555 /nfs/dbraw/zinc/85/65/55/716856555.db2.gz CIUIIASJNYJRQY-IRXDYDNUSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961193763 716856558 /nfs/dbraw/zinc/85/65/58/716856558.db2.gz CIUIIASJNYJRQY-IRXDYDNUSA-N 2 1 314.433 1.385 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941231574 717135199 /nfs/dbraw/zinc/13/51/99/717135199.db2.gz UFPKLICDBGXUEO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231574 717135200 /nfs/dbraw/zinc/13/52/00/717135200.db2.gz UFPKLICDBGXUEO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231574 717135201 /nfs/dbraw/zinc/13/52/01/717135201.db2.gz UFPKLICDBGXUEO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231574 717135204 /nfs/dbraw/zinc/13/52/04/717135204.db2.gz UFPKLICDBGXUEO-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C)CC2(C)C)CC1 ZINC000941237895 717136771 /nfs/dbraw/zinc/13/67/71/717136771.db2.gz SJEVBBYLLRDSPM-QGZVFWFLSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961765088 717199529 /nfs/dbraw/zinc/19/95/29/717199529.db2.gz PQBKOKZHTXCKDB-LDDOYCOJSA-N 2 1 321.440 1.269 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961765088 717199531 /nfs/dbraw/zinc/19/95/31/717199531.db2.gz PQBKOKZHTXCKDB-LDDOYCOJSA-N 2 1 321.440 1.269 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961765088 717199536 /nfs/dbraw/zinc/19/95/36/717199536.db2.gz PQBKOKZHTXCKDB-LDDOYCOJSA-N 2 1 321.440 1.269 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942174385 717525179 /nfs/dbraw/zinc/52/51/79/717525179.db2.gz WPBRQGFXBXMRKN-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963313259 717737470 /nfs/dbraw/zinc/73/74/70/717737470.db2.gz FSSRLICQOIVFQG-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963313259 717737473 /nfs/dbraw/zinc/73/74/73/717737473.db2.gz FSSRLICQOIVFQG-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963313259 717737476 /nfs/dbraw/zinc/73/74/76/717737476.db2.gz FSSRLICQOIVFQG-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000963537500 717824203 /nfs/dbraw/zinc/82/42/03/717824203.db2.gz ICKSIJFVHJKDMO-RDHHWEPZSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000963537500 717824206 /nfs/dbraw/zinc/82/42/06/717824206.db2.gz ICKSIJFVHJKDMO-RDHHWEPZSA-N 2 1 323.481 1.641 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943877513 718213969 /nfs/dbraw/zinc/21/39/69/718213969.db2.gz ODDMEZANZYZJME-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933540 719311183 /nfs/dbraw/zinc/31/11/83/719311183.db2.gz CAFWDZYGFJVPPC-KBPBESRZSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933540 719311180 /nfs/dbraw/zinc/31/11/80/719311180.db2.gz CAFWDZYGFJVPPC-KBPBESRZSA-N 2 1 311.857 1.804 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948386376 719477803 /nfs/dbraw/zinc/47/78/03/719477803.db2.gz VVNGFIULYFIPTI-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000948386376 719477807 /nfs/dbraw/zinc/47/78/07/719477807.db2.gz VVNGFIULYFIPTI-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948386376 719477809 /nfs/dbraw/zinc/47/78/09/719477809.db2.gz VVNGFIULYFIPTI-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583199 719562140 /nfs/dbraw/zinc/56/21/40/719562140.db2.gz KQXIKXMXKIRNCA-KRWDZBQOSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948767476 719696393 /nfs/dbraw/zinc/69/63/93/719696393.db2.gz XENONNAUPLJNHP-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767476 719696396 /nfs/dbraw/zinc/69/63/96/719696396.db2.gz XENONNAUPLJNHP-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948767476 719696398 /nfs/dbraw/zinc/69/63/98/719696398.db2.gz XENONNAUPLJNHP-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCC)CC[C@H]2C)CC1 ZINC000968682371 719734170 /nfs/dbraw/zinc/73/41/70/719734170.db2.gz QEXLJOPXTQOLRB-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCCC2)C1 ZINC000950534453 720672618 /nfs/dbraw/zinc/67/26/18/720672618.db2.gz VRUCALPMHWWILQ-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CC2CCCC2)C1 ZINC000950534453 720672619 /nfs/dbraw/zinc/67/26/19/720672619.db2.gz VRUCALPMHWWILQ-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420039 720754858 /nfs/dbraw/zinc/75/48/58/720754858.db2.gz JWEAGQUMCUYVFD-UKRRQHHQSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027602235 738453829 /nfs/dbraw/zinc/45/38/29/738453829.db2.gz OEQDTQGWRYAVNC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602235 738453830 /nfs/dbraw/zinc/45/38/30/738453830.db2.gz OEQDTQGWRYAVNC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602235 738453831 /nfs/dbraw/zinc/45/38/31/738453831.db2.gz OEQDTQGWRYAVNC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001026549151 737652016 /nfs/dbraw/zinc/65/20/16/737652016.db2.gz AIIRUUDATWMEHO-JCYILVPMSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001026549151 737652018 /nfs/dbraw/zinc/65/20/18/737652018.db2.gz AIIRUUDATWMEHO-JCYILVPMSA-N 2 1 323.481 1.689 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621628 733377396 /nfs/dbraw/zinc/37/73/96/733377396.db2.gz CGEYWLCWXTWBSQ-SJLPKXTDSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021644159 733397574 /nfs/dbraw/zinc/39/75/74/733397574.db2.gz DWLUDCQGAIMTAE-JKSUJKDBSA-N 2 1 300.406 1.219 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023366939 735202763 /nfs/dbraw/zinc/20/27/63/735202763.db2.gz UANQSFLHUHGGQH-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023366939 735202764 /nfs/dbraw/zinc/20/27/64/735202764.db2.gz UANQSFLHUHGGQH-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023366939 735202765 /nfs/dbraw/zinc/20/27/65/735202765.db2.gz UANQSFLHUHGGQH-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCCC)C1 ZINC001023423557 735224248 /nfs/dbraw/zinc/22/42/48/735224248.db2.gz ZKGIGIHGULGGEJ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCCC)C1 ZINC001023423557 735224252 /nfs/dbraw/zinc/22/42/52/735224252.db2.gz ZKGIGIHGULGGEJ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC)C1 ZINC001023423557 735224255 /nfs/dbraw/zinc/22/42/55/735224255.db2.gz ZKGIGIHGULGGEJ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC)C1 ZINC001023423557 735224260 /nfs/dbraw/zinc/22/42/60/735224260.db2.gz ZKGIGIHGULGGEJ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023456081 735249979 /nfs/dbraw/zinc/24/99/79/735249979.db2.gz WFWGZIBBQNMQJV-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456081 735249982 /nfs/dbraw/zinc/24/99/82/735249982.db2.gz WFWGZIBBQNMQJV-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100676344 735725293 /nfs/dbraw/zinc/72/52/93/735725293.db2.gz LMNQGKINLMNYNZ-QQFBHYJXSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479413 735855719 /nfs/dbraw/zinc/85/57/19/735855719.db2.gz HFPQTUNNGQUYMS-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479413 735855720 /nfs/dbraw/zinc/85/57/20/735855720.db2.gz HFPQTUNNGQUYMS-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CC1CC1 ZINC001024486563 735864000 /nfs/dbraw/zinc/86/40/00/735864000.db2.gz BIYQQSUAYDIFLU-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024987311 736215390 /nfs/dbraw/zinc/21/53/90/736215390.db2.gz IEKZSUGEZZVBLY-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001024987311 736215391 /nfs/dbraw/zinc/21/53/91/736215391.db2.gz IEKZSUGEZZVBLY-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001025274613 736402870 /nfs/dbraw/zinc/40/28/70/736402870.db2.gz LBXCZUQNOQPKKF-JKSUJKDBSA-N 2 1 302.422 1.984 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099943 737117477 /nfs/dbraw/zinc/11/74/77/737117477.db2.gz NDOCWEAVDHBULU-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099943 737117479 /nfs/dbraw/zinc/11/74/79/737117479.db2.gz NDOCWEAVDHBULU-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099943 737117482 /nfs/dbraw/zinc/11/74/82/737117482.db2.gz NDOCWEAVDHBULU-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099943 737117484 /nfs/dbraw/zinc/11/74/84/737117484.db2.gz NDOCWEAVDHBULU-ARKGTOAJSA-N 2 1 323.868 1.802 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]12 ZINC001026368057 737429182 /nfs/dbraw/zinc/42/91/82/737429182.db2.gz MSPFPIPEBMACGH-OWCLPIDISA-N 2 1 314.433 1.466 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027472998 738331150 /nfs/dbraw/zinc/33/11/50/738331150.db2.gz BVXYTEWLZBTSJA-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027472998 738331153 /nfs/dbraw/zinc/33/11/53/738331153.db2.gz BVXYTEWLZBTSJA-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027472998 738331156 /nfs/dbraw/zinc/33/11/56/738331156.db2.gz BVXYTEWLZBTSJA-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027472997 738331269 /nfs/dbraw/zinc/33/12/69/738331269.db2.gz BVXYTEWLZBTSJA-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027472997 738331272 /nfs/dbraw/zinc/33/12/72/738331272.db2.gz BVXYTEWLZBTSJA-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001027472997 738331276 /nfs/dbraw/zinc/33/12/76/738331276.db2.gz BVXYTEWLZBTSJA-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137337 739079046 /nfs/dbraw/zinc/07/90/46/739079046.db2.gz GWWYWTPLSIBFIU-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137337 739079050 /nfs/dbraw/zinc/07/90/50/739079050.db2.gz GWWYWTPLSIBFIU-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028181706 739130604 /nfs/dbraw/zinc/13/06/04/739130604.db2.gz ZARLXFOADQDJGT-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000997980472 751438648 /nfs/dbraw/zinc/43/86/48/751438648.db2.gz YHMOHFZFHPFKCE-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998014962 751468786 /nfs/dbraw/zinc/46/87/86/751468786.db2.gz AVOLCNRLYBAANC-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998014962 751468790 /nfs/dbraw/zinc/46/87/90/751468790.db2.gz AVOLCNRLYBAANC-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998014962 751468797 /nfs/dbraw/zinc/46/87/97/751468797.db2.gz AVOLCNRLYBAANC-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001028810938 740069122 /nfs/dbraw/zinc/06/91/22/740069122.db2.gz FNSCWTFWDJJBMG-RBSFLKMASA-N 2 1 302.422 1.538 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001037872473 751523316 /nfs/dbraw/zinc/52/33/16/751523316.db2.gz KVWSVFPVYNAIRG-HIFRSBDPSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630290 740683786 /nfs/dbraw/zinc/68/37/86/740683786.db2.gz CBEONYLQKSYDEW-OWCLPIDISA-N 2 1 314.433 1.438 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971349 740900921 /nfs/dbraw/zinc/90/09/21/740900921.db2.gz UJAXPPVRAWYZAU-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971349 740900917 /nfs/dbraw/zinc/90/09/17/740900917.db2.gz UJAXPPVRAWYZAU-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971349 740900923 /nfs/dbraw/zinc/90/09/23/740900923.db2.gz UJAXPPVRAWYZAU-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026360 740957000 /nfs/dbraw/zinc/95/70/00/740957000.db2.gz FWICLJSCNIQOAL-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001105487085 742081183 /nfs/dbraw/zinc/08/11/83/742081183.db2.gz OVXQXNUDVQAWQS-UHFFFAOYSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335879 742198541 /nfs/dbraw/zinc/19/85/41/742198541.db2.gz YPRUACQPTSMOBE-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757154 742303305 /nfs/dbraw/zinc/30/33/05/742303305.db2.gz LKBMYCMPXVFSBZ-XTCFQUFBSA-N 2 1 319.449 1.005 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757154 742303309 /nfs/dbraw/zinc/30/33/09/742303309.db2.gz LKBMYCMPXVFSBZ-XTCFQUFBSA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncn3C)[C@@H]2C1 ZINC001076517837 742762313 /nfs/dbraw/zinc/76/23/13/742762313.db2.gz ZOONEFKMWSWMSE-GOEBONIOSA-N 2 1 302.422 1.462 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181507721 743216564 /nfs/dbraw/zinc/21/65/64/743216564.db2.gz IGWPQAACFJJGSJ-YFHUEUNASA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589512 743671834 /nfs/dbraw/zinc/67/18/34/743671834.db2.gz GYRZKQDBLYTLBX-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165134 743796639 /nfs/dbraw/zinc/79/66/39/743796639.db2.gz OKJMIMBJYJOVPW-JFIYKMOQSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001186349157 744381174 /nfs/dbraw/zinc/38/11/74/744381174.db2.gz MYWWOMPXQNPCSJ-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC001089060717 744479806 /nfs/dbraw/zinc/47/98/06/744479806.db2.gz CVSVRPCPLNCSQQ-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185945 744671517 /nfs/dbraw/zinc/67/15/17/744671517.db2.gz DDZWKHJLDOOTHL-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185945 744671520 /nfs/dbraw/zinc/67/15/20/744671520.db2.gz DDZWKHJLDOOTHL-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185945 744671522 /nfs/dbraw/zinc/67/15/22/744671522.db2.gz DDZWKHJLDOOTHL-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C(C)C)CC3)CC1 ZINC000992514403 744931655 /nfs/dbraw/zinc/93/16/55/744931655.db2.gz XPQXJVCAOCZWDL-HKUYNNGSSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248172 745160727 /nfs/dbraw/zinc/16/07/27/745160727.db2.gz XVEDSTUOWQWRGA-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248172 745160729 /nfs/dbraw/zinc/16/07/29/745160729.db2.gz XVEDSTUOWQWRGA-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000992772470 745187449 /nfs/dbraw/zinc/18/74/49/745187449.db2.gz OYVNYNYJRMSXSC-ARFHVFGLSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOC(C)C)C1 ZINC001190722726 745305634 /nfs/dbraw/zinc/30/56/34/745305634.db2.gz GNBNPTCFFMQPCY-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOC(C)C)C1 ZINC001190722726 745305639 /nfs/dbraw/zinc/30/56/39/745305639.db2.gz GNBNPTCFFMQPCY-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOC(C)C)C1 ZINC001190722726 745305644 /nfs/dbraw/zinc/30/56/44/745305644.db2.gz GNBNPTCFFMQPCY-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOC(C)C)C1 ZINC001190722726 745305650 /nfs/dbraw/zinc/30/56/50/745305650.db2.gz GNBNPTCFFMQPCY-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192355299 745765598 /nfs/dbraw/zinc/76/55/98/745765598.db2.gz QPWWQBOKFQBXLS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355299 745765604 /nfs/dbraw/zinc/76/56/04/745765604.db2.gz QPWWQBOKFQBXLS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355299 745765609 /nfs/dbraw/zinc/76/56/09/745765609.db2.gz QPWWQBOKFQBXLS-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334968 745782855 /nfs/dbraw/zinc/78/28/55/745782855.db2.gz LSCZTXRFIHCXSM-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334968 745782857 /nfs/dbraw/zinc/78/28/57/745782857.db2.gz LSCZTXRFIHCXSM-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334968 745782859 /nfs/dbraw/zinc/78/28/59/745782859.db2.gz LSCZTXRFIHCXSM-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001099275080 746116405 /nfs/dbraw/zinc/11/64/05/746116405.db2.gz AJTODUCOZHZYHI-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001099275080 746116411 /nfs/dbraw/zinc/11/64/11/746116411.db2.gz AJTODUCOZHZYHI-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194154749 746293596 /nfs/dbraw/zinc/29/35/96/746293596.db2.gz NTBBJDGFJWMUME-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194154749 746293597 /nfs/dbraw/zinc/29/35/97/746293597.db2.gz NTBBJDGFJWMUME-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194154749 746293598 /nfs/dbraw/zinc/29/35/98/746293598.db2.gz NTBBJDGFJWMUME-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194154749 746293599 /nfs/dbraw/zinc/29/35/99/746293599.db2.gz NTBBJDGFJWMUME-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001194266230 746326442 /nfs/dbraw/zinc/32/64/42/746326442.db2.gz MLPICMUCQLXLOC-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001194266230 746326447 /nfs/dbraw/zinc/32/64/47/746326447.db2.gz MLPICMUCQLXLOC-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001194266230 746326452 /nfs/dbraw/zinc/32/64/52/746326452.db2.gz MLPICMUCQLXLOC-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993803958 746328782 /nfs/dbraw/zinc/32/87/82/746328782.db2.gz JYBAIPYXIFLRQQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993803958 746328788 /nfs/dbraw/zinc/32/87/88/746328788.db2.gz JYBAIPYXIFLRQQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993803958 746328793 /nfs/dbraw/zinc/32/87/93/746328793.db2.gz JYBAIPYXIFLRQQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993803958 746328799 /nfs/dbraw/zinc/32/87/99/746328799.db2.gz JYBAIPYXIFLRQQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCF)[C@@H]2C)CC1 ZINC000994501336 746697888 /nfs/dbraw/zinc/69/78/88/746697888.db2.gz SVBCVSLMEXQIEN-ZBFHGGJFSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCF)[C@@H]2C)CC1 ZINC000994501336 746697890 /nfs/dbraw/zinc/69/78/90/746697890.db2.gz SVBCVSLMEXQIEN-ZBFHGGJFSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001003055056 746935257 /nfs/dbraw/zinc/93/52/57/746935257.db2.gz FKAIDGFCXQSWPI-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001003055056 746935259 /nfs/dbraw/zinc/93/52/59/746935259.db2.gz FKAIDGFCXQSWPI-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)CC(C)(C)C1 ZINC001089528188 747159705 /nfs/dbraw/zinc/15/97/05/747159705.db2.gz HCYQOUFHXFCMLH-AWEZNQCLSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562391 747224144 /nfs/dbraw/zinc/22/41/44/747224144.db2.gz CRXCPEATDTXZSM-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199944318 748047142 /nfs/dbraw/zinc/04/71/42/748047142.db2.gz XCRABBSWVCFMHK-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199944318 748047150 /nfs/dbraw/zinc/04/71/50/748047150.db2.gz XCRABBSWVCFMHK-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080161 748222335 /nfs/dbraw/zinc/22/23/35/748222335.db2.gz DJSGRYRVEQAFMT-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=S)NCC[NH+]1CCCCC1 ZINC001200445833 748239064 /nfs/dbraw/zinc/23/90/64/748239064.db2.gz GOJQZPRFOBQCCU-HNNXBMFYSA-N 2 1 310.511 1.587 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200556006 748277863 /nfs/dbraw/zinc/27/78/63/748277863.db2.gz VRRKWSHHQOGAFB-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200688409 748311693 /nfs/dbraw/zinc/31/16/93/748311693.db2.gz PKFXSMRQOBMJPW-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004488261 748471528 /nfs/dbraw/zinc/47/15/28/748471528.db2.gz HHFJUJGVLDTAIK-KRWDZBQOSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004488261 748471529 /nfs/dbraw/zinc/47/15/29/748471529.db2.gz HHFJUJGVLDTAIK-KRWDZBQOSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004546082 748539169 /nfs/dbraw/zinc/53/91/69/748539169.db2.gz GETOHXFRDMZMBT-SJLPKXTDSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004546082 748539173 /nfs/dbraw/zinc/53/91/73/748539173.db2.gz GETOHXFRDMZMBT-SJLPKXTDSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110615354 748828121 /nfs/dbraw/zinc/82/81/21/748828121.db2.gz OXQSXNXKGCUSDG-FPCVCCKLSA-N 2 1 311.445 1.964 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039277104 761905671 /nfs/dbraw/zinc/90/56/71/761905671.db2.gz YQGHBVWDGKQNTE-FBVQUNGASA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202503877 749009677 /nfs/dbraw/zinc/00/96/77/749009677.db2.gz OUGUQUAHHWBQPY-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202504365 749010881 /nfs/dbraw/zinc/01/08/81/749010881.db2.gz TXKZYDMIVYUWIN-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCCC)C[C@H]21 ZINC001114422310 749188689 /nfs/dbraw/zinc/18/86/89/749188689.db2.gz ZECWTKFTNRFWBG-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001114422310 749188692 /nfs/dbraw/zinc/18/86/92/749188692.db2.gz ZECWTKFTNRFWBG-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCC)C[C@H]21 ZINC001114422310 749188695 /nfs/dbraw/zinc/18/86/95/749188695.db2.gz ZECWTKFTNRFWBG-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCCCC)C[C@H]21 ZINC001114422310 749188699 /nfs/dbraw/zinc/18/86/99/749188699.db2.gz ZECWTKFTNRFWBG-VVLHAWIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001114427134 749195571 /nfs/dbraw/zinc/19/55/71/749195571.db2.gz ZAXNXFLOVFYKDR-TTZDDIAXSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114427134 749195572 /nfs/dbraw/zinc/19/55/72/749195572.db2.gz ZAXNXFLOVFYKDR-TTZDDIAXSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114427134 749195574 /nfs/dbraw/zinc/19/55/74/749195574.db2.gz ZAXNXFLOVFYKDR-TTZDDIAXSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114427134 749195575 /nfs/dbraw/zinc/19/55/75/749195575.db2.gz ZAXNXFLOVFYKDR-TTZDDIAXSA-N 2 1 311.857 1.660 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995827885 749250561 /nfs/dbraw/zinc/25/05/61/749250561.db2.gz XFFYERMBWSPVDC-GJZGRUSLSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)CC1 ZINC001202538924 749290563 /nfs/dbraw/zinc/29/05/63/749290563.db2.gz FQUCGTINMGFFHB-UHFFFAOYSA-N 2 1 313.445 1.375 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995926302 749291566 /nfs/dbraw/zinc/29/15/66/749291566.db2.gz UPHMHKPQWUBZLZ-HOTGVXAUSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995926302 749291568 /nfs/dbraw/zinc/29/15/68/749291568.db2.gz UPHMHKPQWUBZLZ-HOTGVXAUSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995996189 749324470 /nfs/dbraw/zinc/32/44/70/749324470.db2.gz SNTBIKBYLQDWKW-CVEARBPZSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033570608 749567703 /nfs/dbraw/zinc/56/77/03/749567703.db2.gz HEHZNZYIKONANU-QGZVFWFLSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388313 761987635 /nfs/dbraw/zinc/98/76/35/761987635.db2.gz KYFOFUGBNRBONJ-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388313 761987640 /nfs/dbraw/zinc/98/76/40/761987640.db2.gz KYFOFUGBNRBONJ-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388313 761987644 /nfs/dbraw/zinc/98/76/44/761987644.db2.gz KYFOFUGBNRBONJ-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825385 749934355 /nfs/dbraw/zinc/93/43/55/749934355.db2.gz DWJYZGYZVKVHIW-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825385 749934361 /nfs/dbraw/zinc/93/43/61/749934361.db2.gz DWJYZGYZVKVHIW-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825385 749934366 /nfs/dbraw/zinc/93/43/66/749934366.db2.gz DWJYZGYZVKVHIW-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525264 750010243 /nfs/dbraw/zinc/01/02/43/750010243.db2.gz JOCWQEKAAQQDFR-MHORFTMASA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525264 750010249 /nfs/dbraw/zinc/01/02/49/750010249.db2.gz JOCWQEKAAQQDFR-MHORFTMASA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095525264 750010255 /nfs/dbraw/zinc/01/02/55/750010255.db2.gz JOCWQEKAAQQDFR-MHORFTMASA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001111017789 750307545 /nfs/dbraw/zinc/30/75/45/750307545.db2.gz DIMOZQSCUDYMMJ-VQHPVUNQSA-N 2 1 305.466 1.852 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039437863 762033079 /nfs/dbraw/zinc/03/30/79/762033079.db2.gz ZUNGSMKLSJVNDJ-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437863 762033090 /nfs/dbraw/zinc/03/30/90/762033090.db2.gz ZUNGSMKLSJVNDJ-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437863 762033100 /nfs/dbraw/zinc/03/31/00/762033100.db2.gz ZUNGSMKLSJVNDJ-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC)C2)CC1 ZINC001034537357 750538762 /nfs/dbraw/zinc/53/87/62/750538762.db2.gz ACWZIWGWGOXSAI-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C(C)C)C2)CC1 ZINC001034537886 750540068 /nfs/dbraw/zinc/54/00/68/750540068.db2.gz GMPWYHVXGCTTSD-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001034660389 750641812 /nfs/dbraw/zinc/64/18/12/750641812.db2.gz AIAQIVOJTCCZPH-ULQDDVLXSA-N 2 1 305.466 1.615 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619110 750850481 /nfs/dbraw/zinc/85/04/81/750850481.db2.gz QMCNWABCEXJCIH-FVQHAEBGSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000682556 762085059 /nfs/dbraw/zinc/08/50/59/762085059.db2.gz JQCSNYRGNWCVLB-MSOLQXFVSA-N 2 1 315.461 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000682556 762085069 /nfs/dbraw/zinc/08/50/69/762085069.db2.gz JQCSNYRGNWCVLB-MSOLQXFVSA-N 2 1 315.461 1.632 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001114775062 751072614 /nfs/dbraw/zinc/07/26/14/751072614.db2.gz ZNIAVETXYPLTJH-VQFNDLOPSA-N 2 1 312.417 1.056 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997614646 751156750 /nfs/dbraw/zinc/15/67/50/751156750.db2.gz UYZUOKXOQXDJIS-FUHWJXTLSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212418183 752635658 /nfs/dbraw/zinc/63/56/58/752635658.db2.gz CNPFHVBKZUJQEW-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418183 752635663 /nfs/dbraw/zinc/63/56/63/752635663.db2.gz CNPFHVBKZUJQEW-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212418183 752635668 /nfs/dbraw/zinc/63/56/68/752635668.db2.gz CNPFHVBKZUJQEW-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999350710 752854598 /nfs/dbraw/zinc/85/45/98/752854598.db2.gz AKUGMDRQRFGQCV-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001009634938 753291554 /nfs/dbraw/zinc/29/15/54/753291554.db2.gz JNMNDIJAFURXER-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021776 755686664 /nfs/dbraw/zinc/68/66/64/755686664.db2.gz QQRWEXKUEHAAOG-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021776 755686667 /nfs/dbraw/zinc/68/66/67/755686667.db2.gz QQRWEXKUEHAAOG-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080021776 755686668 /nfs/dbraw/zinc/68/66/68/755686668.db2.gz QQRWEXKUEHAAOG-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080021776 755686670 /nfs/dbraw/zinc/68/66/70/755686670.db2.gz QQRWEXKUEHAAOG-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188479 755755015 /nfs/dbraw/zinc/75/50/15/755755015.db2.gz IJTIXLJKRFGDMJ-DJIMGWMZSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754467 756084750 /nfs/dbraw/zinc/08/47/50/756084750.db2.gz MXKFIHZUNUGOIH-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001081229331 756271904 /nfs/dbraw/zinc/27/19/04/756271904.db2.gz MUXOGNGRNAONIJ-ZWKOTPCHSA-N 2 1 322.412 1.409 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015393043 756279224 /nfs/dbraw/zinc/27/92/24/756279224.db2.gz RJXGXHXKFVDRAU-KRWDZBQOSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015393043 756279228 /nfs/dbraw/zinc/27/92/28/756279228.db2.gz RJXGXHXKFVDRAU-KRWDZBQOSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001015713858 756489020 /nfs/dbraw/zinc/48/90/20/756489020.db2.gz RUMYXFXTPQWLRM-CQSZACIVSA-N 2 1 318.421 1.651 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015713858 756489023 /nfs/dbraw/zinc/48/90/23/756489023.db2.gz RUMYXFXTPQWLRM-CQSZACIVSA-N 2 1 318.421 1.651 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001016001785 756712214 /nfs/dbraw/zinc/71/22/14/756712214.db2.gz MUZUDBZBAIYARU-KRWDZBQOSA-N 2 1 324.428 1.345 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395323 762522843 /nfs/dbraw/zinc/52/28/43/762522843.db2.gz OFHPPLVOPFITKU-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395323 762522845 /nfs/dbraw/zinc/52/28/45/762522845.db2.gz OFHPPLVOPFITKU-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395323 762522849 /nfs/dbraw/zinc/52/28/49/762522849.db2.gz OFHPPLVOPFITKU-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001084087833 757277047 /nfs/dbraw/zinc/27/70/47/757277047.db2.gz CDSJJIRZQOZEID-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001016818982 757378319 /nfs/dbraw/zinc/37/83/19/757378319.db2.gz ICVQCDIKCJINKB-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084344830 757501126 /nfs/dbraw/zinc/50/11/26/757501126.db2.gz ITBKFIXYRRBSBX-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084344830 757501131 /nfs/dbraw/zinc/50/11/31/757501131.db2.gz ITBKFIXYRRBSBX-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609520 757706184 /nfs/dbraw/zinc/70/61/84/757706184.db2.gz HJXBLBNWLFQMFE-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609520 757706190 /nfs/dbraw/zinc/70/61/90/757706190.db2.gz HJXBLBNWLFQMFE-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609520 757706198 /nfs/dbraw/zinc/70/61/98/757706198.db2.gz HJXBLBNWLFQMFE-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664334 757747713 /nfs/dbraw/zinc/74/77/13/757747713.db2.gz RLBVVIZKXQCHFQ-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664334 757747720 /nfs/dbraw/zinc/74/77/20/757747720.db2.gz RLBVVIZKXQCHFQ-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664334 757747723 /nfs/dbraw/zinc/74/77/23/757747723.db2.gz RLBVVIZKXQCHFQ-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702650 757794212 /nfs/dbraw/zinc/79/42/12/757794212.db2.gz JZURLKUIAFRUFY-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC=C)C[C@H]32)CC1 ZINC001084850878 757977008 /nfs/dbraw/zinc/97/70/08/757977008.db2.gz AQADZVKEKQZVGH-IAGOWNOFSA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001052954751 758005220 /nfs/dbraw/zinc/00/52/20/758005220.db2.gz RKWRBHAFNPKNMA-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001053582214 758596033 /nfs/dbraw/zinc/59/60/33/758596033.db2.gz BITIADXBEFCTOL-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001253142 762699382 /nfs/dbraw/zinc/69/93/82/762699382.db2.gz QSOSPYUJBVCXNR-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001253142 762699384 /nfs/dbraw/zinc/69/93/84/762699384.db2.gz QSOSPYUJBVCXNR-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001253142 762699389 /nfs/dbraw/zinc/69/93/89/762699389.db2.gz QSOSPYUJBVCXNR-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=C)Cl)C1 ZINC001086110176 760995464 /nfs/dbraw/zinc/99/54/64/760995464.db2.gz WZNMQEKYGPRYLN-ZNMIVQPWSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=C)Cl)C1 ZINC001086110176 760995472 /nfs/dbraw/zinc/99/54/72/760995472.db2.gz WZNMQEKYGPRYLN-ZNMIVQPWSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000261757 761607272 /nfs/dbraw/zinc/60/72/72/761607272.db2.gz VIEKJTPEUORTBS-GOEBONIOSA-N 2 1 303.450 1.178 20 30 DDEDMP C=CCN1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108280663 761690178 /nfs/dbraw/zinc/69/01/78/761690178.db2.gz WXCISRJAPCNJJU-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128717 761765529 /nfs/dbraw/zinc/76/55/29/761765529.db2.gz YKOTXYLYOQJZQG-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128717 761765535 /nfs/dbraw/zinc/76/55/35/761765535.db2.gz YKOTXYLYOQJZQG-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039128717 761765541 /nfs/dbraw/zinc/76/55/41/761765541.db2.gz YKOTXYLYOQJZQG-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039179868 761803519 /nfs/dbraw/zinc/80/35/19/761803519.db2.gz HXRBWAXBPDIBNY-ROUUACIJSA-N 2 1 319.493 1.766 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114526 761806147 /nfs/dbraw/zinc/80/61/47/761806147.db2.gz PEGHYVDLSVHTTC-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001001467451 762889838 /nfs/dbraw/zinc/88/98/38/762889838.db2.gz LVZOPOWWKYUSSQ-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041277474 762928457 /nfs/dbraw/zinc/92/84/57/762928457.db2.gz OGBHKFWOSAMEQZ-WMZOPIPTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041277474 762928460 /nfs/dbraw/zinc/92/84/60/762928460.db2.gz OGBHKFWOSAMEQZ-WMZOPIPTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041277474 762928462 /nfs/dbraw/zinc/92/84/62/762928462.db2.gz OGBHKFWOSAMEQZ-WMZOPIPTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804746 762954350 /nfs/dbraw/zinc/95/43/50/762954350.db2.gz XDDKADUIUUYBFD-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050086151 763115257 /nfs/dbraw/zinc/11/52/57/763115257.db2.gz XKBDHDQPDGEEGJ-FUHWJXTLSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041674831 763214523 /nfs/dbraw/zinc/21/45/23/763214523.db2.gz LOOLHTXHNCJMJY-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041674831 763214531 /nfs/dbraw/zinc/21/45/31/763214531.db2.gz LOOLHTXHNCJMJY-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041674831 763214537 /nfs/dbraw/zinc/21/45/37/763214537.db2.gz LOOLHTXHNCJMJY-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041675297 763215263 /nfs/dbraw/zinc/21/52/63/763215263.db2.gz ORYPRCRSPAMDAK-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041675297 763215269 /nfs/dbraw/zinc/21/52/69/763215269.db2.gz ORYPRCRSPAMDAK-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001041675297 763215277 /nfs/dbraw/zinc/21/52/77/763215277.db2.gz ORYPRCRSPAMDAK-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041676091 763216341 /nfs/dbraw/zinc/21/63/41/763216341.db2.gz URXZHOUKLMMZPL-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041676091 763216347 /nfs/dbraw/zinc/21/63/47/763216347.db2.gz URXZHOUKLMMZPL-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041676091 763216353 /nfs/dbraw/zinc/21/63/53/763216353.db2.gz URXZHOUKLMMZPL-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001131424574 768121440 /nfs/dbraw/zinc/12/14/40/768121440.db2.gz WOHQNNQXMISJKG-CQSZACIVSA-N 2 1 304.438 1.822 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256826 763828427 /nfs/dbraw/zinc/82/84/27/763828427.db2.gz ACICKVRTCIWDAL-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001042297782 763879691 /nfs/dbraw/zinc/87/96/91/763879691.db2.gz VKGAENVZSJTYGO-FUHWJXTLSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001111553091 764299679 /nfs/dbraw/zinc/29/96/79/764299679.db2.gz UKMJGBPQKFGQPN-MRXNPFEDSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001042917392 764523617 /nfs/dbraw/zinc/52/36/17/764523617.db2.gz GOIXTIMRDKXECH-QGZVFWFLSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001042917392 764523624 /nfs/dbraw/zinc/52/36/24/764523624.db2.gz GOIXTIMRDKXECH-QGZVFWFLSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC[C@H](C)F)C2)CC1 ZINC001044335824 765490088 /nfs/dbraw/zinc/49/00/88/765490088.db2.gz QDRRSLDWNBHJGK-AWEZNQCLSA-N 2 1 309.429 1.222 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001044791491 765816230 /nfs/dbraw/zinc/81/62/30/765816230.db2.gz HFLIYUBTVHRQCA-GDBMZVCRSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC001044791493 765816312 /nfs/dbraw/zinc/81/63/12/765816312.db2.gz HFLIYUBTVHRQCA-HOCLYGCPSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001052552087 765948883 /nfs/dbraw/zinc/94/88/83/765948883.db2.gz SYMVLPGEWUBUSH-OAHLLOKOSA-N 2 1 323.400 1.485 20 30 DDEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001047595224 768598060 /nfs/dbraw/zinc/59/80/60/768598060.db2.gz SGFSKHBJFYGDET-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001047595224 768598063 /nfs/dbraw/zinc/59/80/63/768598063.db2.gz SGFSKHBJFYGDET-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001047595224 768598068 /nfs/dbraw/zinc/59/80/68/768598068.db2.gz SGFSKHBJFYGDET-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001047595224 768598071 /nfs/dbraw/zinc/59/80/71/768598071.db2.gz SGFSKHBJFYGDET-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001048610271 769578868 /nfs/dbraw/zinc/57/88/68/769578868.db2.gz OMZJBOWADWYSMM-ULQDDVLXSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC)CC1 ZINC001048610271 769578871 /nfs/dbraw/zinc/57/88/71/769578871.db2.gz OMZJBOWADWYSMM-ULQDDVLXSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048860937 770004545 /nfs/dbraw/zinc/00/45/45/770004545.db2.gz HPBXMASQVQQVTG-SOLBZPMBSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048860937 770004557 /nfs/dbraw/zinc/00/45/57/770004557.db2.gz HPBXMASQVQQVTG-SOLBZPMBSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048860937 770004570 /nfs/dbraw/zinc/00/45/70/770004570.db2.gz HPBXMASQVQQVTG-SOLBZPMBSA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888468 770055477 /nfs/dbraw/zinc/05/54/77/770055477.db2.gz QBEGKPXGDGSLPT-TWMKSMIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888468 770055488 /nfs/dbraw/zinc/05/54/88/770055488.db2.gz QBEGKPXGDGSLPT-TWMKSMIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888468 770055499 /nfs/dbraw/zinc/05/54/99/770055499.db2.gz QBEGKPXGDGSLPT-TWMKSMIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071869569 770201674 /nfs/dbraw/zinc/20/16/74/770201674.db2.gz SJZGGTOWEGXMGD-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071869569 770201683 /nfs/dbraw/zinc/20/16/83/770201683.db2.gz SJZGGTOWEGXMGD-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059156 770307865 /nfs/dbraw/zinc/30/78/65/770307865.db2.gz BNHHDEQVLMKFKY-SPWCGHHHSA-N 2 1 311.857 1.327 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059156 770307874 /nfs/dbraw/zinc/30/78/74/770307874.db2.gz BNHHDEQVLMKFKY-SPWCGHHHSA-N 2 1 311.857 1.327 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@H]2C1 ZINC001049059156 770307881 /nfs/dbraw/zinc/30/78/81/770307881.db2.gz BNHHDEQVLMKFKY-SPWCGHHHSA-N 2 1 311.857 1.327 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049160693 770480010 /nfs/dbraw/zinc/48/00/10/770480010.db2.gz HAXCNSQKZKEZJY-HDICACEKSA-N 2 1 315.461 1.132 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049232608 770578094 /nfs/dbraw/zinc/57/80/94/770578094.db2.gz BIZWBPQGNCOJNV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049232608 770578098 /nfs/dbraw/zinc/57/80/98/770578098.db2.gz BIZWBPQGNCOJNV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049232608 770578101 /nfs/dbraw/zinc/57/81/01/770578101.db2.gz BIZWBPQGNCOJNV-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCC)C[C@@H]3C2)CC1 ZINC001049235485 770583303 /nfs/dbraw/zinc/58/33/03/770583303.db2.gz QMJABLXHVZKPAG-CALCHBBNSA-N 2 1 303.450 1.132 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](O)C1 ZINC001090518378 770894989 /nfs/dbraw/zinc/89/49/89/770894989.db2.gz CMNBJUULOVSUGH-HUUCEWRRSA-N 2 1 321.421 1.082 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478311 770906059 /nfs/dbraw/zinc/90/60/59/770906059.db2.gz MQUXCVGMMNWTIR-OKZBNKHCSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049519802 770967803 /nfs/dbraw/zinc/96/78/03/770967803.db2.gz BFHRGJXPBLEJPT-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671910 771071770 /nfs/dbraw/zinc/07/17/70/771071770.db2.gz OEBXQEDCXCXDJE-WNRNVDISSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671910 771071776 /nfs/dbraw/zinc/07/17/76/771071776.db2.gz OEBXQEDCXCXDJE-WNRNVDISSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001096584013 771229489 /nfs/dbraw/zinc/22/94/89/771229489.db2.gz RGJTYKQYVHRPGE-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001096584013 771229492 /nfs/dbraw/zinc/22/94/92/771229492.db2.gz RGJTYKQYVHRPGE-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001096584013 771229493 /nfs/dbraw/zinc/22/94/93/771229493.db2.gz RGJTYKQYVHRPGE-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096584013 771229496 /nfs/dbraw/zinc/22/94/96/771229496.db2.gz RGJTYKQYVHRPGE-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096584013 771229498 /nfs/dbraw/zinc/22/94/98/771229498.db2.gz RGJTYKQYVHRPGE-LTIDMASMSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001096583999 771229564 /nfs/dbraw/zinc/22/95/64/771229564.db2.gz QVRKOKBVYCADAW-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001096583999 771229566 /nfs/dbraw/zinc/22/95/66/771229566.db2.gz QVRKOKBVYCADAW-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001096583999 771229570 /nfs/dbraw/zinc/22/95/70/771229570.db2.gz QVRKOKBVYCADAW-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001096583999 771229577 /nfs/dbraw/zinc/22/95/77/771229577.db2.gz QVRKOKBVYCADAW-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001097104389 771624817 /nfs/dbraw/zinc/62/48/17/771624817.db2.gz UGDDUAZZQJPUJQ-JJTUDDRGSA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097104389 771624822 /nfs/dbraw/zinc/62/48/22/771624822.db2.gz UGDDUAZZQJPUJQ-JJTUDDRGSA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097104389 771624825 /nfs/dbraw/zinc/62/48/25/771624825.db2.gz UGDDUAZZQJPUJQ-JJTUDDRGSA-N 2 1 303.450 1.462 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001135995737 771826123 /nfs/dbraw/zinc/82/61/23/771826123.db2.gz KFNOWPDUXXAIHH-JKSUJKDBSA-N 2 1 313.486 1.794 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001091201137 772610819 /nfs/dbraw/zinc/61/08/19/772610819.db2.gz BFEASZMIKAAIHK-UYSNPLJNSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147212057 773070424 /nfs/dbraw/zinc/07/04/24/773070424.db2.gz MFPHECJKJDOPFN-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212057 773070428 /nfs/dbraw/zinc/07/04/28/773070428.db2.gz MFPHECJKJDOPFN-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147212057 773070433 /nfs/dbraw/zinc/07/04/33/773070433.db2.gz MFPHECJKJDOPFN-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147646935 773189665 /nfs/dbraw/zinc/18/96/65/773189665.db2.gz KDSMUCNVZJQABE-HNNXBMFYSA-N 2 1 309.429 1.224 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001073654695 773269847 /nfs/dbraw/zinc/26/98/47/773269847.db2.gz KTGBXGWCKSEUJF-INIZCTEOSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782829 773818111 /nfs/dbraw/zinc/81/81/11/773818111.db2.gz IDZIZTBYUFETNU-KONPQCLYSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782829 773818113 /nfs/dbraw/zinc/81/81/13/773818113.db2.gz IDZIZTBYUFETNU-KONPQCLYSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782829 773818117 /nfs/dbraw/zinc/81/81/17/773818117.db2.gz IDZIZTBYUFETNU-KONPQCLYSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001091782829 773818119 /nfs/dbraw/zinc/81/81/19/773818119.db2.gz IDZIZTBYUFETNU-KONPQCLYSA-N 2 1 321.465 1.062 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010295 773919795 /nfs/dbraw/zinc/91/97/95/773919795.db2.gz AIVHJJKQPDQKMB-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010295 773919797 /nfs/dbraw/zinc/91/97/97/773919797.db2.gz AIVHJJKQPDQKMB-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010295 773919799 /nfs/dbraw/zinc/91/97/99/773919799.db2.gz AIVHJJKQPDQKMB-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092200279 774001991 /nfs/dbraw/zinc/00/19/91/774001991.db2.gz HHCNGTGGUFRVSG-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092200279 774001997 /nfs/dbraw/zinc/00/19/97/774001997.db2.gz HHCNGTGGUFRVSG-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092200279 774002000 /nfs/dbraw/zinc/00/20/00/774002000.db2.gz HHCNGTGGUFRVSG-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092672017 774214014 /nfs/dbraw/zinc/21/40/14/774214014.db2.gz UJCKXIRYTGQYLI-FGTMMUONSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092672017 774214019 /nfs/dbraw/zinc/21/40/19/774214019.db2.gz UJCKXIRYTGQYLI-FGTMMUONSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092672017 774214024 /nfs/dbraw/zinc/21/40/24/774214024.db2.gz UJCKXIRYTGQYLI-FGTMMUONSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001092757179 774251868 /nfs/dbraw/zinc/25/18/68/774251868.db2.gz UYCIJTDHFLQPRB-GDBMZVCRSA-N 2 1 324.428 1.964 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093024690 774356311 /nfs/dbraw/zinc/35/63/11/774356311.db2.gz CGWHMHDEQDOOLF-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024690 774356319 /nfs/dbraw/zinc/35/63/19/774356319.db2.gz CGWHMHDEQDOOLF-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024690 774356325 /nfs/dbraw/zinc/35/63/25/774356325.db2.gz CGWHMHDEQDOOLF-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773968 774569544 /nfs/dbraw/zinc/56/95/44/774569544.db2.gz WPPPZHCHGCRQOG-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773968 774569546 /nfs/dbraw/zinc/56/95/46/774569546.db2.gz WPPPZHCHGCRQOG-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C2 ZINC001098464375 774588107 /nfs/dbraw/zinc/58/81/07/774588107.db2.gz ZZYSGEIRWPCTDM-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098464375 774588110 /nfs/dbraw/zinc/58/81/10/774588110.db2.gz ZZYSGEIRWPCTDM-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1CC)C2 ZINC001098464375 774588111 /nfs/dbraw/zinc/58/81/11/774588111.db2.gz ZZYSGEIRWPCTDM-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139981 774860562 /nfs/dbraw/zinc/86/05/62/774860562.db2.gz MQKUKXUMIHNEBT-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139981 774860570 /nfs/dbraw/zinc/86/05/70/774860570.db2.gz MQKUKXUMIHNEBT-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100012641 775566828 /nfs/dbraw/zinc/56/68/28/775566828.db2.gz AVQQQAZDSWZNCG-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100012641 775566836 /nfs/dbraw/zinc/56/68/36/775566836.db2.gz AVQQQAZDSWZNCG-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100012641 775566845 /nfs/dbraw/zinc/56/68/45/775566845.db2.gz AVQQQAZDSWZNCG-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036904237 776082428 /nfs/dbraw/zinc/08/24/28/776082428.db2.gz ONGNYJZTNQHLEF-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337516 776543007 /nfs/dbraw/zinc/54/30/07/776543007.db2.gz JXYSBPVRBOFXQV-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596482 778230629 /nfs/dbraw/zinc/23/06/29/778230629.db2.gz IKGJFISFXWYQHM-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001177138234 778458388 /nfs/dbraw/zinc/45/83/88/778458388.db2.gz KJWFKUUIFASBCP-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001177138234 778458393 /nfs/dbraw/zinc/45/83/93/778458393.db2.gz KJWFKUUIFASBCP-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177138234 778458398 /nfs/dbraw/zinc/45/83/98/778458398.db2.gz KJWFKUUIFASBCP-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177138234 778458402 /nfs/dbraw/zinc/45/84/02/778458402.db2.gz KJWFKUUIFASBCP-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179586397 779419328 /nfs/dbraw/zinc/41/93/28/779419328.db2.gz NUJUHOZKBDWYJD-QGZVFWFLSA-N 2 1 323.481 1.244 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005178 779595284 /nfs/dbraw/zinc/59/52/84/779595284.db2.gz YJXQBVIYLIKWKY-HKUYNNGSSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115104454 779877192 /nfs/dbraw/zinc/87/71/92/779877192.db2.gz VPICWOULMNAJFD-VUHPKUFZSA-N 2 1 311.429 1.143 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2CCC[C@@H]2C)CCCCC1 ZINC001115729700 780381367 /nfs/dbraw/zinc/38/13/67/780381367.db2.gz PSDQTKCMSBJLEF-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120009735 781721784 /nfs/dbraw/zinc/72/17/84/781721784.db2.gz FCXJQMODFBKAMQ-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267308811 837796673 /nfs/dbraw/zinc/79/66/73/837796673.db2.gz GWECTFIQERTFFW-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267308811 837796680 /nfs/dbraw/zinc/79/66/80/837796680.db2.gz GWECTFIQERTFFW-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267308811 837796688 /nfs/dbraw/zinc/79/66/88/837796688.db2.gz GWECTFIQERTFFW-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267308811 837796695 /nfs/dbraw/zinc/79/66/95/837796695.db2.gz GWECTFIQERTFFW-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266361608 836172601 /nfs/dbraw/zinc/17/26/01/836172601.db2.gz PBMCVBKPDDFGGO-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001266716148 836717288 /nfs/dbraw/zinc/71/72/88/836717288.db2.gz DHSCNGUUENZWPP-YVSFHVDLSA-N 2 1 321.465 1.443 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001266870414 836973932 /nfs/dbraw/zinc/97/39/32/836973932.db2.gz JMQWWNYWRNLQHA-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001266898229 837022267 /nfs/dbraw/zinc/02/22/67/837022267.db2.gz UATBITNATRRZHB-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266898229 837022272 /nfs/dbraw/zinc/02/22/72/837022272.db2.gz UATBITNATRRZHB-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001266898229 837022285 /nfs/dbraw/zinc/02/22/85/837022285.db2.gz UATBITNATRRZHB-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271973546 844254254 /nfs/dbraw/zinc/25/42/54/844254254.db2.gz KUNMKTIEIDIYPY-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271973546 844254257 /nfs/dbraw/zinc/25/42/57/844254257.db2.gz KUNMKTIEIDIYPY-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271973546 844254262 /nfs/dbraw/zinc/25/42/62/844254262.db2.gz KUNMKTIEIDIYPY-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001271973546 844254267 /nfs/dbraw/zinc/25/42/67/844254267.db2.gz KUNMKTIEIDIYPY-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267531741 838259085 /nfs/dbraw/zinc/25/90/85/838259085.db2.gz XZDGBAYMRDYKNY-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267531741 838259095 /nfs/dbraw/zinc/25/90/95/838259095.db2.gz XZDGBAYMRDYKNY-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267531741 838259101 /nfs/dbraw/zinc/25/91/01/838259101.db2.gz XZDGBAYMRDYKNY-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001267606500 838431613 /nfs/dbraw/zinc/43/16/13/838431613.db2.gz VPSVVEWNANJGHN-PMPSAXMXSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001267606500 838431615 /nfs/dbraw/zinc/43/16/15/838431615.db2.gz VPSVVEWNANJGHN-PMPSAXMXSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267709321 838691700 /nfs/dbraw/zinc/69/17/00/838691700.db2.gz VVUIEPMAIGQHJA-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267709321 838691702 /nfs/dbraw/zinc/69/17/02/838691702.db2.gz VVUIEPMAIGQHJA-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267820438 839030253 /nfs/dbraw/zinc/03/02/53/839030253.db2.gz QVRGJJFHUOKASS-RHSMWYFYSA-N 2 1 311.445 1.707 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001268065181 839638935 /nfs/dbraw/zinc/63/89/35/839638935.db2.gz XCFJJWQBFFRHSC-HUUCEWRRSA-N 2 1 304.438 1.856 20 30 DDEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001268083925 839663711 /nfs/dbraw/zinc/66/37/11/839663711.db2.gz CTLVHUBPPMARCY-ZFWWWQNUSA-N 2 1 304.438 1.767 20 30 DDEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001268226624 839859545 /nfs/dbraw/zinc/85/95/45/839859545.db2.gz CABFSHQONDWIQC-CVEARBPZSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001268226624 839859549 /nfs/dbraw/zinc/85/95/49/839859549.db2.gz CABFSHQONDWIQC-CVEARBPZSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268306655 839976978 /nfs/dbraw/zinc/97/69/78/839976978.db2.gz CDEMMMBMHAEZIL-NVXWUHKLSA-N 2 1 323.481 1.284 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001269245507 841413828 /nfs/dbraw/zinc/41/38/28/841413828.db2.gz IQOXYPVVLCHXKC-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269245507 841413835 /nfs/dbraw/zinc/41/38/35/841413835.db2.gz IQOXYPVVLCHXKC-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269245507 841413844 /nfs/dbraw/zinc/41/38/44/841413844.db2.gz IQOXYPVVLCHXKC-CVEARBPZSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001269870921 842118612 /nfs/dbraw/zinc/11/86/12/842118612.db2.gz GNXDAENVBIRRHC-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001269971428 842189196 /nfs/dbraw/zinc/18/91/96/842189196.db2.gz GYOWCXVRVJFMQB-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001270656057 842780292 /nfs/dbraw/zinc/78/02/92/842780292.db2.gz ARTRDTJLHRXQKK-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001270656057 842780297 /nfs/dbraw/zinc/78/02/97/842780297.db2.gz ARTRDTJLHRXQKK-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001270656057 842780302 /nfs/dbraw/zinc/78/03/02/842780302.db2.gz ARTRDTJLHRXQKK-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC#CCOC ZINC001328787670 863226257 /nfs/dbraw/zinc/22/62/57/863226257.db2.gz XJQDZRJRLNUQBQ-KRWDZBQOSA-N 2 1 323.481 1.291 20 30 DDEDMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC#CCOC ZINC001328787670 863226264 /nfs/dbraw/zinc/22/62/64/863226264.db2.gz XJQDZRJRLNUQBQ-KRWDZBQOSA-N 2 1 323.481 1.291 20 30 DDEDMP CCC[NH+](C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC#CCOC ZINC001328787670 863226270 /nfs/dbraw/zinc/22/62/70/863226270.db2.gz XJQDZRJRLNUQBQ-KRWDZBQOSA-N 2 1 323.481 1.291 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)c2cc(C[NH+]3CCCC3)on2)CCC1 ZINC001326889365 861689435 /nfs/dbraw/zinc/68/94/35/861689435.db2.gz ISZGETSVSLDKRX-UHFFFAOYSA-N 2 1 316.405 1.146 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC(C)(C)C[NH+](C)C ZINC001272870438 847574260 /nfs/dbraw/zinc/57/42/60/847574260.db2.gz PKAFYWAXUBVHQT-GOSISDBHSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001272870438 847574266 /nfs/dbraw/zinc/57/42/66/847574266.db2.gz PKAFYWAXUBVHQT-GOSISDBHSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272887855 847592528 /nfs/dbraw/zinc/59/25/28/847592528.db2.gz LJSWNMLFIVPZID-GOSISDBHSA-N 2 1 319.449 1.355 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001272887288 847594624 /nfs/dbraw/zinc/59/46/24/847594624.db2.gz BKVINBIVYKCJIR-SFHVURJKSA-N 2 1 318.465 1.556 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034313235 848312364 /nfs/dbraw/zinc/31/23/64/848312364.db2.gz ZYWQYUFUDYCRHD-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034313235 848312372 /nfs/dbraw/zinc/31/23/72/848312372.db2.gz ZYWQYUFUDYCRHD-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144074 848563297 /nfs/dbraw/zinc/56/32/97/848563297.db2.gz NZTKXYMIWYCFRR-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144074 848563298 /nfs/dbraw/zinc/56/32/98/848563298.db2.gz NZTKXYMIWYCFRR-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144074 848563300 /nfs/dbraw/zinc/56/33/00/848563300.db2.gz NZTKXYMIWYCFRR-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@@H](C)F)C[C@H]2C)CC1 ZINC001080998285 848725248 /nfs/dbraw/zinc/72/52/48/848725248.db2.gz XQFHTIFPBAQCPN-BFYDXBDKSA-N 2 1 323.456 1.516 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149936733 861981726 /nfs/dbraw/zinc/98/17/26/861981726.db2.gz MPXMZFHTWIPQCG-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936733 861981740 /nfs/dbraw/zinc/98/17/40/861981740.db2.gz MPXMZFHTWIPQCG-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936733 861981749 /nfs/dbraw/zinc/98/17/49/861981749.db2.gz MPXMZFHTWIPQCG-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP N#Cc1ccc2ccnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c2c1 ZINC001155374012 862007639 /nfs/dbraw/zinc/00/76/39/862007639.db2.gz VYXPVLHBYGODNS-QGZVFWFLSA-N 2 1 321.428 1.966 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001155791312 862453581 /nfs/dbraw/zinc/45/35/81/862453581.db2.gz VWBLWRQPWNYOTM-MRXNPFEDSA-N 2 1 300.406 1.248 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073129021 858124159 /nfs/dbraw/zinc/12/41/59/858124159.db2.gz DIDHDDAEKWYGBJ-UHFFFAOYSA-N 2 1 314.433 1.872 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073129021 858124164 /nfs/dbraw/zinc/12/41/64/858124164.db2.gz DIDHDDAEKWYGBJ-UHFFFAOYSA-N 2 1 314.433 1.872 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001328493054 863004914 /nfs/dbraw/zinc/00/49/14/863004914.db2.gz YUBAGBKSIBVFSH-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224712344 881508985 /nfs/dbraw/zinc/50/89/85/881508985.db2.gz JCAFYHVXHVVPRN-UHFFFAOYSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224854573 881558776 /nfs/dbraw/zinc/55/87/76/881558776.db2.gz DJTOCOJVVDPOIP-UHFFFAOYSA-N 2 1 316.449 1.823 20 30 DDEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001326101972 861102626 /nfs/dbraw/zinc/10/26/26/861102626.db2.gz ADMHXUAFQKXRGN-INIZCTEOSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC=C)CC1 ZINC001157092329 863567954 /nfs/dbraw/zinc/56/79/54/863567954.db2.gz RSTSWRRFKZBLQS-MRXNPFEDSA-N 2 1 305.466 1.734 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001158857241 864941254 /nfs/dbraw/zinc/94/12/54/864941254.db2.gz YEJLYOZTEHXUFO-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001158857241 864941261 /nfs/dbraw/zinc/94/12/61/864941261.db2.gz YEJLYOZTEHXUFO-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001158857241 864941269 /nfs/dbraw/zinc/94/12/69/864941269.db2.gz YEJLYOZTEHXUFO-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CCCn3ccnc3C)CCC[C@H]12 ZINC001332109716 865583421 /nfs/dbraw/zinc/58/34/21/865583421.db2.gz HBAWQUCFBBEPGL-FUHWJXTLSA-N 2 1 314.433 1.718 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001332109716 865583446 /nfs/dbraw/zinc/58/34/46/865583446.db2.gz HBAWQUCFBBEPGL-FUHWJXTLSA-N 2 1 314.433 1.718 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001332118016 865590838 /nfs/dbraw/zinc/59/08/38/865590838.db2.gz NEDCJAXQTCNQCD-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001332118016 865590847 /nfs/dbraw/zinc/59/08/47/865590847.db2.gz NEDCJAXQTCNQCD-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001332118016 865590854 /nfs/dbraw/zinc/59/08/54/865590854.db2.gz NEDCJAXQTCNQCD-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001160400007 865815606 /nfs/dbraw/zinc/81/56/06/865815606.db2.gz JENJXYRLUIJPLP-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400007 865815616 /nfs/dbraw/zinc/81/56/16/865815616.db2.gz JENJXYRLUIJPLP-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001160400007 865815624 /nfs/dbraw/zinc/81/56/24/865815624.db2.gz JENJXYRLUIJPLP-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001332949341 866281275 /nfs/dbraw/zinc/28/12/75/866281275.db2.gz CEQMLBSBDZJQJR-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001161049297 866320978 /nfs/dbraw/zinc/32/09/78/866320978.db2.gz FNODDRBOGCGSHS-IRXDYDNUSA-N 2 1 314.433 1.369 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001161251685 866470030 /nfs/dbraw/zinc/47/00/30/866470030.db2.gz VBYLZKHKFDLDOI-UHFFFAOYSA-N 2 1 322.478 1.946 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001333179402 866490804 /nfs/dbraw/zinc/49/08/04/866490804.db2.gz HELBZUQPKFUXHR-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001320149742 866513825 /nfs/dbraw/zinc/51/38/25/866513825.db2.gz YELYMJMQUBMEPN-UKRRQHHQSA-N 2 1 320.437 1.800 20 30 DDEDMP C[C@@]1(CO)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](C)(CO)C2)C1 ZINC001323359936 866562471 /nfs/dbraw/zinc/56/24/71/866562471.db2.gz ANAIQKISRCLAFA-QZTJIDSGSA-N 2 1 308.466 1.179 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472091 866696176 /nfs/dbraw/zinc/69/61/76/866696176.db2.gz KJYXNNCSRVQXOH-UHFFFAOYSA-N 2 1 321.465 1.423 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161472091 866696185 /nfs/dbraw/zinc/69/61/85/866696185.db2.gz KJYXNNCSRVQXOH-UHFFFAOYSA-N 2 1 321.465 1.423 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1c1ccc(N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001162133713 867277482 /nfs/dbraw/zinc/27/74/82/867277482.db2.gz CYSLEWHWWIYUCA-MRXNPFEDSA-N 2 1 323.462 1.734 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)(COC)CC1 ZINC001162585835 867662903 /nfs/dbraw/zinc/66/29/03/867662903.db2.gz VHVLJPXYQJBPHC-UHFFFAOYSA-N 2 1 311.470 1.359 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCOCC1 ZINC001325013788 867697311 /nfs/dbraw/zinc/69/73/11/867697311.db2.gz BOVYRPUHDWZUNO-UHFFFAOYSA-N 2 1 320.437 1.413 20 30 DDEDMP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2C[N@H+](C)CCO2)cc1C#N ZINC001162689366 867734289 /nfs/dbraw/zinc/73/42/89/867734289.db2.gz DXXBCOGMFRWALJ-IYSPOMMRSA-N 2 1 301.394 1.522 20 30 DDEDMP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001162689366 867734294 /nfs/dbraw/zinc/73/42/94/867734294.db2.gz DXXBCOGMFRWALJ-IYSPOMMRSA-N 2 1 301.394 1.522 20 30 DDEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001321989567 867919734 /nfs/dbraw/zinc/91/97/34/867919734.db2.gz BTLOYEKMJZUKLS-DZGCQCFKSA-N 2 1 320.437 1.051 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC001336782111 869137225 /nfs/dbraw/zinc/13/72/25/869137225.db2.gz XAAUHKQXLZQSRP-RTBURBONSA-N 2 1 316.445 1.548 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164582970 869305885 /nfs/dbraw/zinc/30/58/85/869305885.db2.gz PULIGRABGAQRHG-JKSUJKDBSA-N 2 1 305.466 1.616 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001166709209 870181533 /nfs/dbraw/zinc/18/15/33/870181533.db2.gz YJMYBKFWIKLVPU-WMLDXEAASA-N 2 1 314.433 1.352 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317241243 870525207 /nfs/dbraw/zinc/52/52/07/870525207.db2.gz LBNJDWIHFLXXSC-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420677 870553647 /nfs/dbraw/zinc/55/36/47/870553647.db2.gz VYQJSJZUXIONRC-HOTGVXAUSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317382359 870745925 /nfs/dbraw/zinc/74/59/25/870745925.db2.gz RRLAUEAZKLPYEV-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317382359 870745938 /nfs/dbraw/zinc/74/59/38/870745938.db2.gz RRLAUEAZKLPYEV-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1OC ZINC001205221899 871440240 /nfs/dbraw/zinc/44/02/40/871440240.db2.gz XUHXWADKPYTKDR-GOSISDBHSA-N 2 1 318.417 1.383 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001317857433 871601016 /nfs/dbraw/zinc/60/10/16/871601016.db2.gz TUTMEMCUORNHQK-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC001311890459 871724614 /nfs/dbraw/zinc/72/46/14/871724614.db2.gz BMWAFEMCCLQXJD-HNNXBMFYSA-N 2 1 308.470 1.763 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC#CCOC ZINC001316876042 872189889 /nfs/dbraw/zinc/18/98/89/872189889.db2.gz BDCMIWGGPLCBLV-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316880286 872194792 /nfs/dbraw/zinc/19/47/92/872194792.db2.gz LOZKKLGVCFZMQP-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226722060 882610606 /nfs/dbraw/zinc/61/06/06/882610606.db2.gz FMZCTSKAHHWZAA-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722060 882610610 /nfs/dbraw/zinc/61/06/10/882610610.db2.gz FMZCTSKAHHWZAA-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001226831570 882676712 /nfs/dbraw/zinc/67/67/12/882676712.db2.gz TXOMTRHLVYBXMW-IAGOWNOFSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208333965 874022462 /nfs/dbraw/zinc/02/24/62/874022462.db2.gz BGFWTKDBHULZBR-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001348359229 874510788 /nfs/dbraw/zinc/51/07/88/874510788.db2.gz PAEMWFMMTJQMCJ-ZMSDIMECSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCCC[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209161099 874700112 /nfs/dbraw/zinc/70/01/12/874700112.db2.gz HGBFHGKIUOKOGJ-UHFFFAOYSA-N 2 1 315.465 1.595 20 30 DDEDMP C=CCCC[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001209161099 874700118 /nfs/dbraw/zinc/70/01/18/874700118.db2.gz HGBFHGKIUOKOGJ-UHFFFAOYSA-N 2 1 315.465 1.595 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209640378 875027779 /nfs/dbraw/zinc/02/77/79/875027779.db2.gz BMBSGPWGDOJKAH-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209837411 875140465 /nfs/dbraw/zinc/14/04/65/875140465.db2.gz XVEJLODHTRLXPP-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001378751306 875547958 /nfs/dbraw/zinc/54/79/58/875547958.db2.gz IETCBXFPLCNZJP-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269947 875735294 /nfs/dbraw/zinc/73/52/94/875735294.db2.gz WBNAVSNPBMPFFX-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN(C)Cc2ccccc2)C1 ZINC001211445547 875810138 /nfs/dbraw/zinc/81/01/38/875810138.db2.gz HUGYVJWBTJROBD-NVXWUHKLSA-N 2 1 301.434 1.741 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211445547 875810146 /nfs/dbraw/zinc/81/01/46/875810146.db2.gz HUGYVJWBTJROBD-NVXWUHKLSA-N 2 1 301.434 1.741 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211445547 875810158 /nfs/dbraw/zinc/81/01/58/875810158.db2.gz HUGYVJWBTJROBD-NVXWUHKLSA-N 2 1 301.434 1.741 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211445547 875810168 /nfs/dbraw/zinc/81/01/68/875810168.db2.gz HUGYVJWBTJROBD-NVXWUHKLSA-N 2 1 301.434 1.741 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001215380815 876688467 /nfs/dbraw/zinc/68/84/67/876688467.db2.gz AYDOJALBPFFFPT-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934420 876825271 /nfs/dbraw/zinc/82/52/71/876825271.db2.gz RZAUKEQBRWLWKQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C1CC[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(=O)OCC)cc1 ZINC001218211088 877419944 /nfs/dbraw/zinc/41/99/44/877419944.db2.gz QKMNZORCYYYDPF-HOTGVXAUSA-N 2 1 304.390 1.416 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624887 877619315 /nfs/dbraw/zinc/61/93/15/877619315.db2.gz XHHVXXGIUSCIBF-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624887 877619323 /nfs/dbraw/zinc/61/93/23/877619323.db2.gz XHHVXXGIUSCIBF-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219001277 877868440 /nfs/dbraw/zinc/86/84/40/877868440.db2.gz VLTCWFWENRNODG-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220479033 879049316 /nfs/dbraw/zinc/04/93/16/879049316.db2.gz VFQMYRNROXUFFK-OIISXLGYSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001221631124 879978647 /nfs/dbraw/zinc/97/86/47/879978647.db2.gz CLXSTMJSZVAZPI-ZACQAIPSSA-N 2 1 323.481 1.308 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222790334 880699510 /nfs/dbraw/zinc/69/95/10/880699510.db2.gz WZFODYFEKIAOKM-ZACQAIPSSA-N 2 1 323.456 1.612 20 30 DDEDMP C=C(Cl)C[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001381053456 880928530 /nfs/dbraw/zinc/92/85/30/880928530.db2.gz HJLWDHURXBISDM-HNNXBMFYSA-N 2 1 317.861 1.024 20 30 DDEDMP CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246063471 892393320 /nfs/dbraw/zinc/39/33/20/892393320.db2.gz OKOPNKHZVBUTST-JYJNAYRXSA-N 2 1 314.470 1.920 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246303558 892526222 /nfs/dbraw/zinc/52/62/22/892526222.db2.gz ISBDWVGQFWMZGV-JJXSEGSLSA-N 3 1 309.454 1.476 20 30 DDEDMP N#Cc1ccccc1C(=O)N1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246365590 892573551 /nfs/dbraw/zinc/57/35/51/892573551.db2.gz ZENTVNYYVPJQCC-INIZCTEOSA-N 2 1 312.417 1.504 20 30 DDEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CC[C@H](C#N)C3)C[C@H]1C2 ZINC001246876330 892965230 /nfs/dbraw/zinc/96/52/30/892965230.db2.gz ZAJAKCQTWMKVBE-CXKHLATESA-N 2 1 303.406 1.009 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001278511310 893782323 /nfs/dbraw/zinc/78/23/23/893782323.db2.gz TUJHPQGEHSVCQG-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001278511310 893782329 /nfs/dbraw/zinc/78/23/29/893782329.db2.gz TUJHPQGEHSVCQG-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001278511310 893782333 /nfs/dbraw/zinc/78/23/33/893782333.db2.gz TUJHPQGEHSVCQG-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001253580268 895908616 /nfs/dbraw/zinc/90/86/16/895908616.db2.gz AYLCJKGATONXSA-KZNAEPCWSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001253580268 895908626 /nfs/dbraw/zinc/90/86/26/895908626.db2.gz AYLCJKGATONXSA-KZNAEPCWSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001253580268 895908637 /nfs/dbraw/zinc/90/86/37/895908637.db2.gz AYLCJKGATONXSA-KZNAEPCWSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001253580698 895911507 /nfs/dbraw/zinc/91/15/07/895911507.db2.gz DWXOPSLWBDIBTG-KZNAEPCWSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001253580698 895911521 /nfs/dbraw/zinc/91/15/21/895911521.db2.gz DWXOPSLWBDIBTG-KZNAEPCWSA-N 2 1 317.433 1.151 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001253580698 895911531 /nfs/dbraw/zinc/91/15/31/895911531.db2.gz DWXOPSLWBDIBTG-KZNAEPCWSA-N 2 1 317.433 1.151 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374841960 914099186 /nfs/dbraw/zinc/09/91/86/914099186.db2.gz GDQHLSOLGNHLBI-IUODEOHRSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CCCN1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1=O ZINC001255671850 897083158 /nfs/dbraw/zinc/08/31/58/897083158.db2.gz QNZPXNFISWPDHY-NPYXIHBLSA-N 2 1 303.450 1.606 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001390501960 899554715 /nfs/dbraw/zinc/55/47/15/899554715.db2.gz CAHJLCIATHIVGH-CYBMUJFWSA-N 2 1 320.412 1.633 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001391022261 900706024 /nfs/dbraw/zinc/70/60/24/900706024.db2.gz LETHRSVQUWCDEX-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001391022261 900706043 /nfs/dbraw/zinc/70/60/43/900706043.db2.gz LETHRSVQUWCDEX-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001391022261 900706059 /nfs/dbraw/zinc/70/60/59/900706059.db2.gz LETHRSVQUWCDEX-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264375099 901060319 /nfs/dbraw/zinc/06/03/19/901060319.db2.gz UFZHGMVOMNMAGC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264375099 901060332 /nfs/dbraw/zinc/06/03/32/901060332.db2.gz UFZHGMVOMNMAGC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264650032 901250127 /nfs/dbraw/zinc/25/01/27/901250127.db2.gz BJUFFZXAPFALGU-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265235884 901760242 /nfs/dbraw/zinc/76/02/42/901760242.db2.gz YJGYDZPZRBVQNU-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265316671 901875475 /nfs/dbraw/zinc/87/54/75/901875475.db2.gz AGRCWOJEVBBADA-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001265416298 901991473 /nfs/dbraw/zinc/99/14/73/901991473.db2.gz VLRLNNAYSGTFSW-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001265416298 901991483 /nfs/dbraw/zinc/99/14/83/901991483.db2.gz VLRLNNAYSGTFSW-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001265416298 901991497 /nfs/dbraw/zinc/99/14/97/901991497.db2.gz VLRLNNAYSGTFSW-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001265416298 901991507 /nfs/dbraw/zinc/99/15/07/901991507.db2.gz VLRLNNAYSGTFSW-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001279231094 903197507 /nfs/dbraw/zinc/19/75/07/903197507.db2.gz YNIRETNLDDKCNX-BJWYYQGGSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1conc1C ZINC001281721942 905178099 /nfs/dbraw/zinc/17/80/99/905178099.db2.gz JQSLIUTUCLQXRL-BBRMVZONSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1conc1C ZINC001281721942 905178123 /nfs/dbraw/zinc/17/81/23/905178123.db2.gz JQSLIUTUCLQXRL-BBRMVZONSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282834932 906085697 /nfs/dbraw/zinc/08/56/97/906085697.db2.gz XAMSUWVMZUFIKW-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001282964534 906350331 /nfs/dbraw/zinc/35/03/31/906350331.db2.gz IFPWTMBPTZXHOW-MRXNPFEDSA-N 2 1 323.456 1.614 20 30 DDEDMP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC#CCOC)CC2)[NH+](C)C ZINC001284067103 908419977 /nfs/dbraw/zinc/41/99/77/908419977.db2.gz KGVHXWLYIAGESC-BQFCYCMXSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001284334394 908844229 /nfs/dbraw/zinc/84/42/29/908844229.db2.gz CTZYDNXQTUKPPZ-HOTGVXAUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001284702700 909374533 /nfs/dbraw/zinc/37/45/33/909374533.db2.gz VNNCFOSUSFUHJD-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001373850049 911188669 /nfs/dbraw/zinc/18/86/69/911188669.db2.gz PMGABYKLVMUMSZ-UHFFFAOYSA-N 2 1 310.829 1.963 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC001377408886 921797244 /nfs/dbraw/zinc/79/72/44/921797244.db2.gz HIEIPMMPYXRWDS-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001397549570 916288774 /nfs/dbraw/zinc/28/87/74/916288774.db2.gz USSBQIMPRPDVIG-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP CN(C[C@@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001397549570 916288794 /nfs/dbraw/zinc/28/87/94/916288794.db2.gz USSBQIMPRPDVIG-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000073806570 353272258 /nfs/dbraw/zinc/27/22/58/353272258.db2.gz JGJRLJNWKCFCAL-OAHLLOKOSA-N 2 1 318.421 1.137 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081592131 353683774 /nfs/dbraw/zinc/68/37/74/353683774.db2.gz PFPWKPWYCAAUPC-HZPDHXFCSA-N 2 1 306.454 1.555 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000594440274 356215757 /nfs/dbraw/zinc/21/57/57/356215757.db2.gz BKQHCAOPDSLPSW-QGZVFWFLSA-N 2 1 314.433 1.572 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000594440274 356215761 /nfs/dbraw/zinc/21/57/61/356215761.db2.gz BKQHCAOPDSLPSW-QGZVFWFLSA-N 2 1 314.433 1.572 20 30 DDEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590065 357642999 /nfs/dbraw/zinc/64/29/99/357642999.db2.gz WTZMJBQXQNQGQN-GOEBONIOSA-N 2 1 311.470 1.312 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC000600718151 358294167 /nfs/dbraw/zinc/29/41/67/358294167.db2.gz VUZYKXMYBUMDRC-JYJNAYRXSA-N 2 1 307.438 1.274 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCOCC1 ZINC000600718151 358294171 /nfs/dbraw/zinc/29/41/71/358294171.db2.gz VUZYKXMYBUMDRC-JYJNAYRXSA-N 2 1 307.438 1.274 20 30 DDEDMP C[C@H](CC#N)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000602861703 359246314 /nfs/dbraw/zinc/24/63/14/359246314.db2.gz HSQZNBQQVANMQP-OAHLLOKOSA-N 2 1 300.406 1.223 20 30 DDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000110056741 194308234 /nfs/dbraw/zinc/30/82/34/194308234.db2.gz KVIVWRHFEHARCW-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264116615 285340045 /nfs/dbraw/zinc/34/00/45/285340045.db2.gz SYQAIURPDPZELK-UONOGXRCSA-N 2 1 324.494 1.899 20 30 DDEDMP CN(C(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000273349280 408163821 /nfs/dbraw/zinc/16/38/21/408163821.db2.gz PUMYZNAYHWHZAW-UHFFFAOYSA-N 2 1 302.422 1.428 20 30 DDEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268810014 408201655 /nfs/dbraw/zinc/20/16/55/408201655.db2.gz DOFKOLKMTDJIBF-NVXWUHKLSA-N 2 1 302.418 1.806 20 30 DDEDMP C[NH+]=C(NCc1nc(C)cs1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158552310 408347897 /nfs/dbraw/zinc/34/78/97/408347897.db2.gz KBJUJFMMSITLNX-AAEUAGOBSA-N 2 1 309.483 1.845 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264322427 408444310 /nfs/dbraw/zinc/44/43/10/408444310.db2.gz YAXPLSRUZWWJBK-OCCSQVGLSA-N 2 1 308.426 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000247482819 408477702 /nfs/dbraw/zinc/47/77/02/408477702.db2.gz SWMHMLXRDRKCTE-RDJZCZTQSA-N 2 1 305.466 1.520 20 30 DDEDMP CN(CCC[N@@H+](C)CCOc1cccc(C#N)c1)CC[NH+](C)C ZINC000289412590 409265232 /nfs/dbraw/zinc/26/52/32/409265232.db2.gz LYGTXROBEKDHSQ-UHFFFAOYSA-N 2 1 318.465 1.752 20 30 DDEDMP OCC[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1CCO ZINC000351470868 410087971 /nfs/dbraw/zinc/08/79/71/410087971.db2.gz GIRDVBVWLGMAMV-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP OCC[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CCO ZINC000351470868 410087978 /nfs/dbraw/zinc/08/79/78/410087978.db2.gz GIRDVBVWLGMAMV-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP OCC[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CCO ZINC000351470868 410087982 /nfs/dbraw/zinc/08/79/82/410087982.db2.gz GIRDVBVWLGMAMV-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP CC[C@@H]1CO[C@H](C)CN1CC#CC[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000341835720 411068570 /nfs/dbraw/zinc/06/85/70/411068570.db2.gz PDVRDOSSEYDRMC-USTZCAOPSA-N 2 1 308.466 1.988 20 30 DDEDMP CC[C@@H]1CO[C@H](C)CN1CC#CC[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000341835720 411068572 /nfs/dbraw/zinc/06/85/72/411068572.db2.gz PDVRDOSSEYDRMC-USTZCAOPSA-N 2 1 308.466 1.988 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(F)c(F)c1 ZINC000189053587 222035242 /nfs/dbraw/zinc/03/52/42/222035242.db2.gz VHKNTWOMFBBZEW-ZDUSSCGKSA-N 2 1 310.392 1.896 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261944838 222262615 /nfs/dbraw/zinc/26/26/15/222262615.db2.gz FMDGRJZXKDUEKR-KKUMJFAQSA-N 2 1 306.458 1.292 20 30 DDEDMP CC[NH+]=C(NCc1nccs1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262021841 222270342 /nfs/dbraw/zinc/27/03/42/222270342.db2.gz ZABGDTXFQFGBNH-DGCLKSJQSA-N 2 1 307.467 1.681 20 30 DDEDMP CCOc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264078913 222314327 /nfs/dbraw/zinc/31/43/27/222314327.db2.gz GUCLOVSIOFJPGX-OAHLLOKOSA-N 2 1 304.438 1.974 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](OC)c1ccccc1 ZINC000264083138 222316085 /nfs/dbraw/zinc/31/60/85/222316085.db2.gz IWSAVLUCQYVHSR-HZPDHXFCSA-N 2 1 304.438 1.763 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1C(F)F ZINC000264116312 222321422 /nfs/dbraw/zinc/32/14/22/222321422.db2.gz SQEFTSZPQUIKDX-SNVBAGLBSA-N 2 1 300.357 1.167 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncc(C(C)(C)C)o1 ZINC000267395188 222383846 /nfs/dbraw/zinc/38/38/46/222383846.db2.gz DWQXQTGSVJHDNY-GFCCVEGCSA-N 2 1 307.442 1.861 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1 ZINC000267467576 222386835 /nfs/dbraw/zinc/38/68/35/222386835.db2.gz WVGLAKJJLJZVQQ-LSDHHAIUSA-N 2 1 304.438 1.843 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000424130687 228231955 /nfs/dbraw/zinc/23/19/55/228231955.db2.gz HNYNZFMFVFVNNH-OCCSQVGLSA-N 2 1 320.462 1.632 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1CCc2sccc2C1 ZINC000424130687 228231957 /nfs/dbraw/zinc/23/19/57/228231957.db2.gz HNYNZFMFVFVNNH-OCCSQVGLSA-N 2 1 320.462 1.632 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424183288 228243074 /nfs/dbraw/zinc/24/30/74/228243074.db2.gz VEJVATPIRODUJG-PVAVHDDUSA-N 2 1 314.433 1.644 20 30 DDEDMP C[C@H]1C[C@@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000516994846 421587012 /nfs/dbraw/zinc/58/70/12/421587012.db2.gz WCPQLZYPXYKWOE-XSLAGTTESA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000532589240 421661567 /nfs/dbraw/zinc/66/15/67/421661567.db2.gz VBBMZWYJAUUTQU-UHFFFAOYSA-N 2 1 304.413 1.815 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC001120589589 782041565 /nfs/dbraw/zinc/04/15/65/782041565.db2.gz CQKONPDNLIREPU-GOSISDBHSA-N 2 1 304.409 1.806 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000491120707 275380893 /nfs/dbraw/zinc/38/08/93/275380893.db2.gz MVTHOZBMELECOM-HUUCEWRRSA-N 2 1 319.409 1.820 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000491120707 275380894 /nfs/dbraw/zinc/38/08/94/275380894.db2.gz MVTHOZBMELECOM-HUUCEWRRSA-N 2 1 319.409 1.820 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364034335 275417887 /nfs/dbraw/zinc/41/78/87/275417887.db2.gz BJVNEECZSABXFU-UHFFFAOYSA-N 3 1 321.513 1.873 20 30 DDEDMP COCCN(C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170465 308022907 /nfs/dbraw/zinc/02/29/07/308022907.db2.gz LARMQYOPDLAXQV-WMLDXEAASA-N 2 1 305.422 1.490 20 30 DDEDMP COCCN(C)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170465 308022908 /nfs/dbraw/zinc/02/29/08/308022908.db2.gz LARMQYOPDLAXQV-WMLDXEAASA-N 2 1 305.422 1.490 20 30 DDEDMP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000521032486 333326799 /nfs/dbraw/zinc/32/67/99/333326799.db2.gz RGLKPSBDYUEMSY-LZLYRXPVSA-N 2 1 322.497 1.435 20 30 DDEDMP C[NH+]=C(NCC1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261614130 337607951 /nfs/dbraw/zinc/60/79/51/337607951.db2.gz AMGMNCZNRNWGLX-INIZCTEOSA-N 2 1 308.470 1.406 20 30 DDEDMP C=CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)nn1 ZINC000655942790 484044462 /nfs/dbraw/zinc/04/44/62/484044462.db2.gz YXEALXIJNBAEBZ-DJIMGWMZSA-N 2 1 319.453 1.715 20 30 DDEDMP C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)nn1 ZINC000655942790 484044466 /nfs/dbraw/zinc/04/44/66/484044466.db2.gz YXEALXIJNBAEBZ-DJIMGWMZSA-N 2 1 319.453 1.715 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000337696449 526435150 /nfs/dbraw/zinc/43/51/50/526435150.db2.gz YIWAIZYVFXTSPI-OAHLLOKOSA-N 2 1 308.470 1.668 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000491462664 526823264 /nfs/dbraw/zinc/82/32/64/526823264.db2.gz JJRALGMNKLKDGV-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491462664 526823268 /nfs/dbraw/zinc/82/32/68/526823268.db2.gz JJRALGMNKLKDGV-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491462664 526823271 /nfs/dbraw/zinc/82/32/71/526823271.db2.gz JJRALGMNKLKDGV-SFHVURJKSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000491120706 526829912 /nfs/dbraw/zinc/82/99/12/526829912.db2.gz MVTHOZBMELECOM-GJZGRUSLSA-N 2 1 319.409 1.820 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000491120706 526829916 /nfs/dbraw/zinc/82/99/16/526829916.db2.gz MVTHOZBMELECOM-GJZGRUSLSA-N 2 1 319.409 1.820 20 30 DDEDMP C#CCNC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000491120131 526977409 /nfs/dbraw/zinc/97/74/09/526977409.db2.gz LKAKMOJSLHWVLD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000491120131 526977411 /nfs/dbraw/zinc/97/74/11/526977411.db2.gz LKAKMOJSLHWVLD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000491120131 526977413 /nfs/dbraw/zinc/97/74/13/526977413.db2.gz LKAKMOJSLHWVLD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CCC(CC)C[N@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000338302143 528750829 /nfs/dbraw/zinc/75/08/29/528750829.db2.gz AYHAGQJFHRMZRL-UHFFFAOYSA-N 2 1 308.470 1.802 20 30 DDEDMP CCC(CC)C[N@@H+](CCC#N)CCC(=O)N1CC[NH+](C)CC1 ZINC000338302143 528750830 /nfs/dbraw/zinc/75/08/30/528750830.db2.gz AYHAGQJFHRMZRL-UHFFFAOYSA-N 2 1 308.470 1.802 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681584 695061569 /nfs/dbraw/zinc/06/15/69/695061569.db2.gz FFNYYNYRKIUBNI-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681584 695061571 /nfs/dbraw/zinc/06/15/71/695061571.db2.gz FFNYYNYRKIUBNI-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681584 695061574 /nfs/dbraw/zinc/06/15/74/695061574.db2.gz FFNYYNYRKIUBNI-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971828356 695104345 /nfs/dbraw/zinc/10/43/45/695104345.db2.gz LELXPBZFBZANIY-INIZCTEOSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971828356 695104347 /nfs/dbraw/zinc/10/43/47/695104347.db2.gz LELXPBZFBZANIY-INIZCTEOSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971828356 695104348 /nfs/dbraw/zinc/10/43/48/695104348.db2.gz LELXPBZFBZANIY-INIZCTEOSA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972432049 695250004 /nfs/dbraw/zinc/25/00/04/695250004.db2.gz XONXVXDRFZIRKA-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437786 695251111 /nfs/dbraw/zinc/25/11/11/695251111.db2.gz KTORYOCZGNQQRE-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437786 695251112 /nfs/dbraw/zinc/25/11/12/695251112.db2.gz KTORYOCZGNQQRE-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437786 695251113 /nfs/dbraw/zinc/25/11/13/695251113.db2.gz KTORYOCZGNQQRE-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437786 695251114 /nfs/dbraw/zinc/25/11/14/695251114.db2.gz KTORYOCZGNQQRE-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978279466 696357136 /nfs/dbraw/zinc/35/71/36/696357136.db2.gz WKJLCHVOEOTGMN-LVQVYYBASA-N 2 1 312.417 1.078 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978279466 696357137 /nfs/dbraw/zinc/35/71/37/696357137.db2.gz WKJLCHVOEOTGMN-LVQVYYBASA-N 2 1 312.417 1.078 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978910528 696474822 /nfs/dbraw/zinc/47/48/22/696474822.db2.gz TYFPCWWDEAZKMB-NNZMDNLPSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC000980478000 696783089 /nfs/dbraw/zinc/78/30/89/696783089.db2.gz LUCSPMNMJAURHM-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981802566 696922388 /nfs/dbraw/zinc/92/23/88/696922388.db2.gz IZNOBOIHJHTJND-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981802566 696922390 /nfs/dbraw/zinc/92/23/90/696922390.db2.gz IZNOBOIHJHTJND-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981802566 696922391 /nfs/dbraw/zinc/92/23/91/696922391.db2.gz IZNOBOIHJHTJND-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000981968167 696989119 /nfs/dbraw/zinc/98/91/19/696989119.db2.gz PRNKOZCFOKGYJJ-UHFFFAOYSA-N 2 1 315.417 1.512 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC000981968167 696989120 /nfs/dbraw/zinc/98/91/20/696989120.db2.gz PRNKOZCFOKGYJJ-UHFFFAOYSA-N 2 1 315.417 1.512 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981152929 697020077 /nfs/dbraw/zinc/02/00/77/697020077.db2.gz PLYLMBLRHNWBBF-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152929 697020079 /nfs/dbraw/zinc/02/00/79/697020079.db2.gz PLYLMBLRHNWBBF-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152929 697020083 /nfs/dbraw/zinc/02/00/83/697020083.db2.gz PLYLMBLRHNWBBF-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000981185914 697028676 /nfs/dbraw/zinc/02/86/76/697028676.db2.gz JPTNCYHQARQBSI-UHFFFAOYSA-N 2 1 319.453 1.169 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000981438596 697097838 /nfs/dbraw/zinc/09/78/38/697097838.db2.gz ZOKIEWSKGBNENM-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000981438596 697097841 /nfs/dbraw/zinc/09/78/41/697097841.db2.gz ZOKIEWSKGBNENM-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000981438596 697097842 /nfs/dbraw/zinc/09/78/42/697097842.db2.gz ZOKIEWSKGBNENM-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000981438596 697097845 /nfs/dbraw/zinc/09/78/45/697097845.db2.gz ZOKIEWSKGBNENM-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@]2(C)C1 ZINC000982671642 697167478 /nfs/dbraw/zinc/16/74/78/697167478.db2.gz PLIHKWZLLVUPSP-KDURUIRLSA-N 2 1 317.477 1.522 20 30 DDEDMP CSCCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000187051713 697540669 /nfs/dbraw/zinc/54/06/69/697540669.db2.gz TZHUFIVWAZXPJO-UHFFFAOYSA-N 2 1 302.488 1.146 20 30 DDEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000985655056 697550996 /nfs/dbraw/zinc/55/09/96/697550996.db2.gz QOGPBTDWSVWPNO-DOMZBBRYSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000985655056 697550998 /nfs/dbraw/zinc/55/09/98/697550998.db2.gz QOGPBTDWSVWPNO-DOMZBBRYSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000985655056 697551000 /nfs/dbraw/zinc/55/10/00/697551000.db2.gz QOGPBTDWSVWPNO-DOMZBBRYSA-N 2 1 313.873 1.859 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(C2CC2)cc1 ZINC000191160711 697602214 /nfs/dbraw/zinc/60/22/14/697602214.db2.gz GQGZOKAYQRVJEI-UHFFFAOYSA-N 2 1 316.449 1.691 20 30 DDEDMP C[C@H]1CNC(NN=C2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)=[NH+]1 ZINC000779792051 698465641 /nfs/dbraw/zinc/46/56/41/698465641.db2.gz NWMBLOPZKJZGLE-STQMWFEESA-N 2 1 300.410 1.217 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000303768269 698605715 /nfs/dbraw/zinc/60/57/15/698605715.db2.gz AFACLOQFOCBPIY-MRXNPFEDSA-N 2 1 320.437 1.779 20 30 DDEDMP CC(C)(C)NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303779663 698606562 /nfs/dbraw/zinc/60/65/62/698606562.db2.gz KTTSPPVJGJBIRQ-UHFFFAOYSA-N 2 1 304.438 1.722 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCCC1 ZINC000303892694 698609817 /nfs/dbraw/zinc/60/98/17/698609817.db2.gz RJZLMTCWHWVBNF-CVEARBPZSA-N 3 1 309.502 1.497 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990685113 699131489 /nfs/dbraw/zinc/13/14/89/699131489.db2.gz MHMVOOKNYICQIS-ZIFCJYIRSA-N 2 1 315.461 1.465 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000794584083 699817994 /nfs/dbraw/zinc/81/79/94/699817994.db2.gz DLJOLLOZRYYLBP-MRXNPFEDSA-N 2 1 303.406 1.310 20 30 DDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000879575317 706724277 /nfs/dbraw/zinc/72/42/77/706724277.db2.gz JBHLVLWMOXBJCD-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000879575317 706724279 /nfs/dbraw/zinc/72/42/79/706724279.db2.gz JBHLVLWMOXBJCD-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000879575317 706724280 /nfs/dbraw/zinc/72/42/80/706724280.db2.gz JBHLVLWMOXBJCD-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000879575317 706724283 /nfs/dbraw/zinc/72/42/83/706724283.db2.gz JBHLVLWMOXBJCD-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000879577003 706724881 /nfs/dbraw/zinc/72/48/81/706724881.db2.gz ZJDDMYGAHLVPST-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000879577003 706724885 /nfs/dbraw/zinc/72/48/85/706724885.db2.gz ZJDDMYGAHLVPST-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000879577003 706724889 /nfs/dbraw/zinc/72/48/89/706724889.db2.gz ZJDDMYGAHLVPST-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000879577003 706724892 /nfs/dbraw/zinc/72/48/92/706724892.db2.gz ZJDDMYGAHLVPST-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C#C[C@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@@H](C#C)C3)COC2)C1 ZINC000847021971 703366809 /nfs/dbraw/zinc/36/68/09/703366809.db2.gz QYUJFVRYEDOEKA-HDICACEKSA-N 2 1 300.446 1.693 20 30 DDEDMP C#C[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](C#C)C3)COC2)C1 ZINC000847021971 703366810 /nfs/dbraw/zinc/36/68/10/703366810.db2.gz QYUJFVRYEDOEKA-HDICACEKSA-N 2 1 300.446 1.693 20 30 DDEDMP C#C[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](C#C)C3)COC2)C1 ZINC000847021971 703366811 /nfs/dbraw/zinc/36/68/11/703366811.db2.gz QYUJFVRYEDOEKA-HDICACEKSA-N 2 1 300.446 1.693 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)c(OC)c1 ZINC000849029304 703612786 /nfs/dbraw/zinc/61/27/86/703612786.db2.gz HWUGEAGHYUZZKT-OAHLLOKOSA-N 2 1 315.421 1.665 20 30 DDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863552314 705955954 /nfs/dbraw/zinc/95/59/54/705955954.db2.gz XDQVBPAOXOLCPV-HNNXBMFYSA-N 2 1 311.389 1.720 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ncc(C)c(OC)c1C ZINC000836266752 707427747 /nfs/dbraw/zinc/42/77/47/707427747.db2.gz OGFUTPRLMAKVRW-UHFFFAOYSA-N 2 1 318.421 1.461 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=C)C)CC2)C1 ZINC000884131085 708153365 /nfs/dbraw/zinc/15/33/65/708153365.db2.gz AUULMDASPGKFHQ-QGZVFWFLSA-N 2 1 318.465 1.424 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=C)C)CC2)C1 ZINC000884131085 708153368 /nfs/dbraw/zinc/15/33/68/708153368.db2.gz AUULMDASPGKFHQ-QGZVFWFLSA-N 2 1 318.465 1.424 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000900371638 709560770 /nfs/dbraw/zinc/56/07/70/709560770.db2.gz GCDYLGWUDFDWOX-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000890368084 709841381 /nfs/dbraw/zinc/84/13/81/709841381.db2.gz BJUOGHDTWMMNCD-INIZCTEOSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000890368084 709841387 /nfs/dbraw/zinc/84/13/87/709841387.db2.gz BJUOGHDTWMMNCD-INIZCTEOSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000896487680 711731921 /nfs/dbraw/zinc/73/19/21/711731921.db2.gz BKZCUQUIOFGEIS-HNNXBMFYSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000896487680 711731923 /nfs/dbraw/zinc/73/19/23/711731923.db2.gz BKZCUQUIOFGEIS-HNNXBMFYSA-N 2 1 308.470 1.313 20 30 DDEDMP CCN(CCO)c1ccc(C=[NH+]N2CC[NH+](C)CC2)c(C)c1 ZINC000916249200 713448422 /nfs/dbraw/zinc/44/84/22/713448422.db2.gz UGHPNFBQQXTVSN-UHFFFAOYSA-N 2 1 304.438 1.395 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000920410501 713667309 /nfs/dbraw/zinc/66/73/09/713667309.db2.gz BQZRDCUWBPSKQS-GJZGRUSLSA-N 2 1 306.454 1.208 20 30 DDEDMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC000922387916 714036238 /nfs/dbraw/zinc/03/62/38/714036238.db2.gz MOKZIKQWXDFUMS-NCOADZHNSA-N 2 1 303.406 1.721 20 30 DDEDMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(C#N)cs1 ZINC000933773265 714669319 /nfs/dbraw/zinc/66/93/19/714669319.db2.gz INEMATIGXBBWFL-UHFFFAOYSA-N 2 1 306.435 1.216 20 30 DDEDMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(C#N)cs1 ZINC000933773265 714669321 /nfs/dbraw/zinc/66/93/21/714669321.db2.gz INEMATIGXBBWFL-UHFFFAOYSA-N 2 1 306.435 1.216 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517642 715938122 /nfs/dbraw/zinc/93/81/22/715938122.db2.gz ZUOCEAYVNFNFDG-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568670 715955730 /nfs/dbraw/zinc/95/57/30/715955730.db2.gz OBIPEXOUDUUYGP-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000957603084 715966938 /nfs/dbraw/zinc/96/69/38/715966938.db2.gz NQIWHDXDFPIWOQ-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960722138 716668522 /nfs/dbraw/zinc/66/85/22/716668522.db2.gz MEGZLQMBZGZOHC-VVLHAWIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960722138 716668526 /nfs/dbraw/zinc/66/85/26/716668526.db2.gz MEGZLQMBZGZOHC-VVLHAWIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960722138 716668528 /nfs/dbraw/zinc/66/85/28/716668528.db2.gz MEGZLQMBZGZOHC-VVLHAWIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961186899 716854017 /nfs/dbraw/zinc/85/40/17/716854017.db2.gz MVKWLVLTNQMRGS-UOIKSKOESA-N 2 1 314.433 1.384 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961186899 716854021 /nfs/dbraw/zinc/85/40/21/716854021.db2.gz MVKWLVLTNQMRGS-UOIKSKOESA-N 2 1 314.433 1.384 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940789742 716961141 /nfs/dbraw/zinc/96/11/41/716961141.db2.gz MMUKKLMQDIXKNF-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940789742 716961144 /nfs/dbraw/zinc/96/11/44/716961144.db2.gz MMUKKLMQDIXKNF-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940789742 716961146 /nfs/dbraw/zinc/96/11/46/716961146.db2.gz MMUKKLMQDIXKNF-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940914389 717025428 /nfs/dbraw/zinc/02/54/28/717025428.db2.gz MHLFJGSAMJMJIF-IAGOWNOFSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027627 717079633 /nfs/dbraw/zinc/07/96/33/717079633.db2.gz WWZJZXJFHPATPD-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027627 717079636 /nfs/dbraw/zinc/07/96/36/717079636.db2.gz WWZJZXJFHPATPD-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941027627 717079638 /nfs/dbraw/zinc/07/96/38/717079638.db2.gz WWZJZXJFHPATPD-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962255232 717375056 /nfs/dbraw/zinc/37/50/56/717375056.db2.gz NOZGPZDWAQIJAJ-PIIMJCKOSA-N 2 1 315.461 1.178 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942057781 717455216 /nfs/dbraw/zinc/45/52/16/717455216.db2.gz PFBKRXJQTCFUEP-LSDHHAIUSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779163 718905884 /nfs/dbraw/zinc/90/58/84/718905884.db2.gz IFKAQZBEDCGZBE-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779163 718905886 /nfs/dbraw/zinc/90/58/86/718905886.db2.gz IFKAQZBEDCGZBE-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779163 718905887 /nfs/dbraw/zinc/90/58/87/718905887.db2.gz IFKAQZBEDCGZBE-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779121 718906069 /nfs/dbraw/zinc/90/60/69/718906069.db2.gz GWSIEJAELCEUJK-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779121 718906071 /nfs/dbraw/zinc/90/60/71/718906071.db2.gz GWSIEJAELCEUJK-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779121 718906074 /nfs/dbraw/zinc/90/60/74/718906074.db2.gz GWSIEJAELCEUJK-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000967926515 719091838 /nfs/dbraw/zinc/09/18/38/719091838.db2.gz XKGDDXCDNADJKQ-IUODEOHRSA-N 2 1 318.446 1.404 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725893 719255076 /nfs/dbraw/zinc/25/50/76/719255076.db2.gz FLOZPQZYRMHKSN-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725893 719255077 /nfs/dbraw/zinc/25/50/77/719255077.db2.gz FLOZPQZYRMHKSN-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725893 719255081 /nfs/dbraw/zinc/25/50/81/719255081.db2.gz FLOZPQZYRMHKSN-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCF)[C@@H](C)C2)CC1 ZINC000948069331 719349069 /nfs/dbraw/zinc/34/90/69/719349069.db2.gz FZXHMDGGRVSSCW-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCCF)CC[C@H]2C)CC1 ZINC000968680489 719733196 /nfs/dbraw/zinc/73/31/96/719733196.db2.gz AATXAEMYKKSZDU-WBVHZDCISA-N 2 1 323.456 1.518 20 30 DDEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153789 719980245 /nfs/dbraw/zinc/98/02/45/719980245.db2.gz OWPNPRDLEXRSJD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153789 719980249 /nfs/dbraw/zinc/98/02/49/719980249.db2.gz OWPNPRDLEXRSJD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153789 719980253 /nfs/dbraw/zinc/98/02/53/719980253.db2.gz OWPNPRDLEXRSJD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153789 719980257 /nfs/dbraw/zinc/98/02/57/719980257.db2.gz OWPNPRDLEXRSJD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970751083 720921906 /nfs/dbraw/zinc/92/19/06/720921906.db2.gz CRGCCOPTNXYHTJ-CYBMUJFWSA-N 2 1 302.422 1.774 20 30 DDEDMP C#CCCN1CC(N(CC)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444013 721450286 /nfs/dbraw/zinc/45/02/86/721450286.db2.gz GSGPIIIPMWOLQT-RDJZCZTQSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707397 735409055 /nfs/dbraw/zinc/40/90/55/735409055.db2.gz QAOWMIUZOVZVNV-OAHLLOKOSA-N 2 1 314.433 1.613 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707397 735409056 /nfs/dbraw/zinc/40/90/56/735409056.db2.gz QAOWMIUZOVZVNV-OAHLLOKOSA-N 2 1 314.433 1.613 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023758393 735443254 /nfs/dbraw/zinc/44/32/54/735443254.db2.gz VPEQBUWHNWTDMR-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023758393 735443259 /nfs/dbraw/zinc/44/32/59/735443259.db2.gz VPEQBUWHNWTDMR-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023758393 735443262 /nfs/dbraw/zinc/44/32/62/735443262.db2.gz VPEQBUWHNWTDMR-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023758393 735443266 /nfs/dbraw/zinc/44/32/66/735443266.db2.gz VPEQBUWHNWTDMR-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001027638352 738498798 /nfs/dbraw/zinc/49/87/98/738498798.db2.gz XSJYGYLWIQFVHC-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001098540535 733210145 /nfs/dbraw/zinc/21/01/45/733210145.db2.gz RLRZTEOQJLOHSN-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001098540535 733210149 /nfs/dbraw/zinc/21/01/49/733210149.db2.gz RLRZTEOQJLOHSN-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225910 733286331 /nfs/dbraw/zinc/28/63/31/733286331.db2.gz SEOLICAODCEZCC-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039283501 733411044 /nfs/dbraw/zinc/41/10/44/733411044.db2.gz YBCTZNFATSSZEC-AKBNIOSXSA-N 2 1 303.450 1.462 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167636805 734867610 /nfs/dbraw/zinc/86/76/10/734867610.db2.gz WFXMPNFHLIPCFL-UHFFFAOYSA-N 2 1 301.862 1.957 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001027965659 738875176 /nfs/dbraw/zinc/87/51/76/738875176.db2.gz ZUXUFUSNZPVIMX-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479421 735855695 /nfs/dbraw/zinc/85/56/95/735855695.db2.gz HIQBMUCOAUIACI-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001024479421 735855699 /nfs/dbraw/zinc/85/56/99/735855699.db2.gz HIQBMUCOAUIACI-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479421 735855703 /nfs/dbraw/zinc/85/57/03/735855703.db2.gz HIQBMUCOAUIACI-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001024479421 735855704 /nfs/dbraw/zinc/85/57/04/735855704.db2.gz HIQBMUCOAUIACI-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3cnc[nH]3)C(C)(C)[C@@H]21 ZINC001087306832 736012331 /nfs/dbraw/zinc/01/23/31/736012331.db2.gz OYXGBRIMCHAADR-DJIMGWMZSA-N 2 1 314.433 1.581 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001024987362 736215424 /nfs/dbraw/zinc/21/54/24/736215424.db2.gz IXHYDYMQEUJFGH-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001024987362 736215426 /nfs/dbraw/zinc/21/54/26/736215426.db2.gz IXHYDYMQEUJFGH-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001104573269 736340156 /nfs/dbraw/zinc/34/01/56/736340156.db2.gz OIQVPAMEQPAGCX-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC001025630754 736797609 /nfs/dbraw/zinc/79/76/09/736797609.db2.gz VMOBUBIKZBIDHZ-WBVHZDCISA-N 2 1 323.456 1.518 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781477 736852115 /nfs/dbraw/zinc/85/21/15/736852115.db2.gz FSQFBHRPNPXJOK-MTSZKFMLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781477 736852119 /nfs/dbraw/zinc/85/21/19/736852119.db2.gz FSQFBHRPNPXJOK-MTSZKFMLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781477 736852122 /nfs/dbraw/zinc/85/21/22/736852122.db2.gz FSQFBHRPNPXJOK-MTSZKFMLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001025817988 736869008 /nfs/dbraw/zinc/86/90/08/736869008.db2.gz JTPXDHMCYSKKGU-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025817988 736869009 /nfs/dbraw/zinc/86/90/09/736869009.db2.gz JTPXDHMCYSKKGU-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025817988 736869011 /nfs/dbraw/zinc/86/90/11/736869011.db2.gz JTPXDHMCYSKKGU-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908248 737364144 /nfs/dbraw/zinc/36/41/44/737364144.db2.gz OQRFWFHSXOFATD-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001026559777 737662252 /nfs/dbraw/zinc/66/22/52/737662252.db2.gz SMBYTEFUTDDQHO-FHERZECASA-N 2 1 314.433 1.404 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203072 739154697 /nfs/dbraw/zinc/15/46/97/739154697.db2.gz ORLKFZKFSOQIPH-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035395557 751465977 /nfs/dbraw/zinc/46/59/77/751465977.db2.gz XSSRVEBGNDESJP-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035395557 751465979 /nfs/dbraw/zinc/46/59/79/751465979.db2.gz XSSRVEBGNDESJP-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395557 751465982 /nfs/dbraw/zinc/46/59/82/751465982.db2.gz XSSRVEBGNDESJP-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395557 751465984 /nfs/dbraw/zinc/46/59/84/751465984.db2.gz XSSRVEBGNDESJP-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544987 739650456 /nfs/dbraw/zinc/65/04/56/739650456.db2.gz LYKUTAJZRPAREW-RDJZCZTQSA-N 2 1 305.466 1.733 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590672 739721116 /nfs/dbraw/zinc/72/11/16/739721116.db2.gz DEKARXVXDJWYHC-GJZGRUSLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590672 739721118 /nfs/dbraw/zinc/72/11/18/739721118.db2.gz DEKARXVXDJWYHC-GJZGRUSLSA-N 2 1 302.422 1.775 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648178 739848068 /nfs/dbraw/zinc/84/80/68/739848068.db2.gz UTNLVNBXJFRREF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028648178 739848075 /nfs/dbraw/zinc/84/80/75/739848075.db2.gz UTNLVNBXJFRREF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028648178 739848079 /nfs/dbraw/zinc/84/80/79/739848079.db2.gz UTNLVNBXJFRREF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001028715301 739946159 /nfs/dbraw/zinc/94/61/59/739946159.db2.gz BITWLSSTBXBVIA-HNNXBMFYSA-N 2 1 308.385 1.557 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)[C@H]1CC ZINC001087601648 740673275 /nfs/dbraw/zinc/67/32/75/740673275.db2.gz DCFDJUCNEZJWAL-XHSDSOJGSA-N 2 1 314.433 1.753 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601648 740673276 /nfs/dbraw/zinc/67/32/76/740673276.db2.gz DCFDJUCNEZJWAL-XHSDSOJGSA-N 2 1 314.433 1.753 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630509 740683647 /nfs/dbraw/zinc/68/36/47/740683647.db2.gz MPXZRFZPJOVEQZ-QLFBSQMISA-N 2 1 302.422 1.601 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105184 741033065 /nfs/dbraw/zinc/03/30/65/741033065.db2.gz XFNDKLWMYPTUNZ-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105184 741033069 /nfs/dbraw/zinc/03/30/69/741033069.db2.gz XFNDKLWMYPTUNZ-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC001088105184 741033074 /nfs/dbraw/zinc/03/30/74/741033074.db2.gz XFNDKLWMYPTUNZ-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001088211350 741108191 /nfs/dbraw/zinc/10/81/91/741108191.db2.gz FNJKQHACZCTCFI-SJORKVTESA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001029596721 741131452 /nfs/dbraw/zinc/13/14/52/741131452.db2.gz XJBLSYLZNJMARW-HDICACEKSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075875737 741443070 /nfs/dbraw/zinc/44/30/70/741443070.db2.gz GYPPPBLCXQVHCE-YESZJQIVSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375571 742336604 /nfs/dbraw/zinc/33/66/04/742336604.db2.gz QHRJBYUPHJMBDY-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375571 742336608 /nfs/dbraw/zinc/33/66/08/742336608.db2.gz QHRJBYUPHJMBDY-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375571 742336615 /nfs/dbraw/zinc/33/66/15/742336615.db2.gz QHRJBYUPHJMBDY-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523650 742459145 /nfs/dbraw/zinc/45/91/45/742459145.db2.gz MPEFBZQZMDQQDE-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181441946 743211075 /nfs/dbraw/zinc/21/10/75/743211075.db2.gz WAAZPNHNQQMQMX-SOLBZPMBSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001002804504 743443991 /nfs/dbraw/zinc/44/39/91/743443991.db2.gz CRLQZGYUWGUJOP-WBVHZDCISA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001105723933 743761334 /nfs/dbraw/zinc/76/13/34/743761334.db2.gz KLKUVIBFVBWUTG-UHFFFAOYSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001183517229 743845867 /nfs/dbraw/zinc/84/58/67/743845867.db2.gz WKSHJRJELMKRFB-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC12CCOCC2 ZINC001186545196 744418540 /nfs/dbraw/zinc/41/85/40/744418540.db2.gz LDXLKWFVQGBJAJ-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)[C@@H]2C)CC1 ZINC001089059772 744479700 /nfs/dbraw/zinc/47/97/00/744479700.db2.gz AHOPZODLGHVKQV-KMWJSLMQSA-N 2 1 323.868 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)[C@@H]2C)CC1 ZINC001089059772 744479702 /nfs/dbraw/zinc/47/97/02/744479702.db2.gz AHOPZODLGHVKQV-KMWJSLMQSA-N 2 1 323.868 1.663 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992414303 744864457 /nfs/dbraw/zinc/86/44/57/744864457.db2.gz WYYMYAHCJUUQAJ-QAPCUYQASA-N 2 1 303.450 1.772 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC#C)CC3)CCC[C@H]12 ZINC000992503039 744923784 /nfs/dbraw/zinc/92/37/84/744923784.db2.gz CSFLAXGKBUOGBL-PKOBYXMFSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457702 744949159 /nfs/dbraw/zinc/94/91/59/744949159.db2.gz LQROTLMBWLCJFN-QGZVFWFLSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC000992712792 745137368 /nfs/dbraw/zinc/13/73/68/745137368.db2.gz OJKYFXLAIUPADM-BHYGNILZSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001191011240 745404124 /nfs/dbraw/zinc/40/41/24/745404124.db2.gz SFHPAEIZDRGQJX-CABCVRRESA-N 2 1 302.422 1.554 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223759 745662229 /nfs/dbraw/zinc/66/22/29/745662229.db2.gz XBBGWZFHWNCYKX-JHJVBQTASA-N 2 1 319.371 1.636 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866671 745908371 /nfs/dbraw/zinc/90/83/71/745908371.db2.gz MADDOIJJFFNAMV-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866671 745908372 /nfs/dbraw/zinc/90/83/72/745908372.db2.gz MADDOIJJFFNAMV-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352043 746090997 /nfs/dbraw/zinc/09/09/97/746090997.db2.gz QBGXBHFPFPPSTC-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352043 746091002 /nfs/dbraw/zinc/09/10/02/746091002.db2.gz QBGXBHFPFPPSTC-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352043 746091006 /nfs/dbraw/zinc/09/10/06/746091006.db2.gz QBGXBHFPFPPSTC-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352043 746091011 /nfs/dbraw/zinc/09/10/11/746091011.db2.gz QBGXBHFPFPPSTC-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765818 746199679 /nfs/dbraw/zinc/19/96/79/746199679.db2.gz JDRODAYMYYBZRO-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046922700 746474987 /nfs/dbraw/zinc/47/49/87/746474987.db2.gz BPEVKNPNMKTKEV-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046922700 746474989 /nfs/dbraw/zinc/47/49/89/746474989.db2.gz BPEVKNPNMKTKEV-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046922700 746474991 /nfs/dbraw/zinc/47/49/91/746474991.db2.gz BPEVKNPNMKTKEV-ZIAGYGMSSA-N 2 1 315.408 1.730 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994447560 746660119 /nfs/dbraw/zinc/66/01/19/746660119.db2.gz AIKQTMLPTKKACW-YJBOKZPZSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894470 746724121 /nfs/dbraw/zinc/72/41/21/746724121.db2.gz YPQCOFIJJJVDOA-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)CC)CC1 ZINC001003055064 746935365 /nfs/dbraw/zinc/93/53/65/746935365.db2.gz FKAIDGFCXQSWPI-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](C)CC)CC1 ZINC001003055064 746935368 /nfs/dbraw/zinc/93/53/68/746935368.db2.gz FKAIDGFCXQSWPI-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197195748 747098460 /nfs/dbraw/zinc/09/84/60/747098460.db2.gz JYAHUXAXAMBMJI-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089538241 747176816 /nfs/dbraw/zinc/17/68/16/747176816.db2.gz VOCXGUYGDDXWHN-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089538241 747176821 /nfs/dbraw/zinc/17/68/21/747176821.db2.gz VOCXGUYGDDXWHN-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089538241 747176823 /nfs/dbraw/zinc/17/68/23/747176823.db2.gz VOCXGUYGDDXWHN-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658445 748317371 /nfs/dbraw/zinc/31/73/71/748317371.db2.gz NCPNDPXAJUGZJO-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001040942419 748339769 /nfs/dbraw/zinc/33/97/69/748339769.db2.gz YPHQPJATUDGHRX-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031978698 748346944 /nfs/dbraw/zinc/34/69/44/748346944.db2.gz JGFOZYHSGPBUBY-UHFFFAOYSA-N 2 1 313.445 1.476 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCCO1 ZINC001201544935 748536441 /nfs/dbraw/zinc/53/64/41/748536441.db2.gz AQUOGXXBGAQBMK-OAHLLOKOSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)CCCO1 ZINC001201612232 748559091 /nfs/dbraw/zinc/55/90/91/748559091.db2.gz NPULJMMNAWNCHD-GDBMZVCRSA-N 2 1 320.437 1.372 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004617032 748593358 /nfs/dbraw/zinc/59/33/58/748593358.db2.gz NRGVSYFEDDLKRO-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001032219420 749012879 /nfs/dbraw/zinc/01/28/79/749012879.db2.gz YZQDZCUBSDHPFL-UHFFFAOYSA-N 2 1 317.433 1.806 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039290024 761914319 /nfs/dbraw/zinc/91/43/19/761914319.db2.gz XILIXAKCNXMRBY-MQVJKMGUSA-N 2 1 300.406 1.326 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001033269731 749099172 /nfs/dbraw/zinc/09/91/72/749099172.db2.gz VAABYWHKLHHFDK-HNNXBMFYSA-N 2 1 314.433 1.318 20 30 DDEDMP CC#CCN1CC[C@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001033269731 749099180 /nfs/dbraw/zinc/09/91/80/749099180.db2.gz VAABYWHKLHHFDK-HNNXBMFYSA-N 2 1 314.433 1.318 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114423575 749189962 /nfs/dbraw/zinc/18/99/62/749189962.db2.gz OUWZXNFRAHOGQA-CBZIJGRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114423575 749189966 /nfs/dbraw/zinc/18/99/66/749189966.db2.gz OUWZXNFRAHOGQA-CBZIJGRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114423575 749189974 /nfs/dbraw/zinc/18/99/74/749189974.db2.gz OUWZXNFRAHOGQA-CBZIJGRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033355062 749259755 /nfs/dbraw/zinc/25/97/55/749259755.db2.gz UUANZGJRNHVELW-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033355062 749259759 /nfs/dbraw/zinc/25/97/59/749259759.db2.gz UUANZGJRNHVELW-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033355062 749259763 /nfs/dbraw/zinc/25/97/63/749259763.db2.gz UUANZGJRNHVELW-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014729916 749490659 /nfs/dbraw/zinc/49/06/59/749490659.db2.gz TVNMSENSQAYIJE-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014729916 749490665 /nfs/dbraw/zinc/49/06/65/749490665.db2.gz TVNMSENSQAYIJE-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014729916 749490667 /nfs/dbraw/zinc/49/06/67/749490667.db2.gz TVNMSENSQAYIJE-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033540266 749515645 /nfs/dbraw/zinc/51/56/45/749515645.db2.gz ORTNBEKKRSFCOK-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033540266 749515647 /nfs/dbraw/zinc/51/56/47/749515647.db2.gz ORTNBEKKRSFCOK-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033541757 749516909 /nfs/dbraw/zinc/51/69/09/749516909.db2.gz ZKTVTUPQHIUZNM-INIZCTEOSA-N 2 1 311.389 1.600 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001033541757 749516915 /nfs/dbraw/zinc/51/69/15/749516915.db2.gz ZKTVTUPQHIUZNM-INIZCTEOSA-N 2 1 311.389 1.600 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001039385391 761984963 /nfs/dbraw/zinc/98/49/63/761984963.db2.gz LQKYKKVSAAFESL-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001039385391 761984966 /nfs/dbraw/zinc/98/49/66/761984966.db2.gz LQKYKKVSAAFESL-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039385391 761984970 /nfs/dbraw/zinc/98/49/70/761984970.db2.gz LQKYKKVSAAFESL-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039385391 761984972 /nfs/dbraw/zinc/98/49/72/761984972.db2.gz LQKYKKVSAAFESL-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107524347 750088976 /nfs/dbraw/zinc/08/89/76/750088976.db2.gz VCNOVZVCISXFJK-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039437140 762031667 /nfs/dbraw/zinc/03/16/67/762031667.db2.gz CHKJCCBYCJARLI-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437140 762031674 /nfs/dbraw/zinc/03/16/74/762031674.db2.gz CHKJCCBYCJARLI-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437140 762031684 /nfs/dbraw/zinc/03/16/84/762031684.db2.gz CHKJCCBYCJARLI-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001005504525 750365511 /nfs/dbraw/zinc/36/55/11/750365511.db2.gz UDCMYQCSAGGXQO-OAHLLOKOSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001034614068 750608111 /nfs/dbraw/zinc/60/81/11/750608111.db2.gz HLUGIQCROCEBHK-MGPQQGTHSA-N 2 1 315.845 1.087 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001034614068 750608112 /nfs/dbraw/zinc/60/81/12/750608112.db2.gz HLUGIQCROCEBHK-MGPQQGTHSA-N 2 1 315.845 1.087 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005581266 750657945 /nfs/dbraw/zinc/65/79/45/750657945.db2.gz KDLALYZDOWZLBE-GDBMZVCRSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005581266 750657946 /nfs/dbraw/zinc/65/79/46/750657946.db2.gz KDLALYZDOWZLBE-GDBMZVCRSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001089904629 750669209 /nfs/dbraw/zinc/66/92/09/750669209.db2.gz DIVHZVXGIMABEL-QAETUUGQSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001089904629 750669212 /nfs/dbraw/zinc/66/92/12/750669212.db2.gz DIVHZVXGIMABEL-QAETUUGQSA-N 2 1 314.433 1.546 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005586783 750670456 /nfs/dbraw/zinc/67/04/56/750670456.db2.gz XWFTXYKKFZCTCN-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114746388 751047380 /nfs/dbraw/zinc/04/73/80/751047380.db2.gz RDWOFAHQBJAWKW-CAOSSQGBSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008344789 752683597 /nfs/dbraw/zinc/68/35/97/752683597.db2.gz TTXQRKUXWMURFL-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008344789 752683601 /nfs/dbraw/zinc/68/36/01/752683601.db2.gz TTXQRKUXWMURFL-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001079846608 755607324 /nfs/dbraw/zinc/60/73/24/755607324.db2.gz VHOHXIZHSOKZDL-KFWWJZLASA-N 2 1 302.422 1.773 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001079846608 755607327 /nfs/dbraw/zinc/60/73/27/755607327.db2.gz VHOHXIZHSOKZDL-KFWWJZLASA-N 2 1 302.422 1.773 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080450668 755911371 /nfs/dbraw/zinc/91/13/71/755911371.db2.gz FOLHCLKIWHGRSM-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080450668 755911372 /nfs/dbraw/zinc/91/13/72/755911372.db2.gz FOLHCLKIWHGRSM-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241725 762455085 /nfs/dbraw/zinc/45/50/85/762455085.db2.gz RXFRDLNVYKTJCT-SJLPKXTDSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263958 762467655 /nfs/dbraw/zinc/46/76/55/762467655.db2.gz KDZOJKZFXSMVET-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263958 762467656 /nfs/dbraw/zinc/46/76/56/762467656.db2.gz KDZOJKZFXSMVET-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001040263958 762467658 /nfs/dbraw/zinc/46/76/58/762467658.db2.gz KDZOJKZFXSMVET-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826687 756574970 /nfs/dbraw/zinc/57/49/70/756574970.db2.gz IDXWFLYEEPHRPC-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040367764 762509950 /nfs/dbraw/zinc/50/99/50/762509950.db2.gz BCIYLDKZQUVTOV-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040381131 762516731 /nfs/dbraw/zinc/51/67/31/762516731.db2.gz VLMNFCMSBBYFPY-IEBWSBKVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016664919 757248499 /nfs/dbraw/zinc/24/84/99/757248499.db2.gz ZVBBIDBMGFPGRN-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001097551022 757251164 /nfs/dbraw/zinc/25/11/64/757251164.db2.gz UOYMEWDCVGDLFY-OIISXLGYSA-N 2 1 308.385 1.693 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016738458 757309978 /nfs/dbraw/zinc/30/99/78/757309978.db2.gz SKUQBXGVPRQQDV-OAHLLOKOSA-N 2 1 300.406 1.186 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C(C)C)CCO1)C2 ZINC001097711873 757404002 /nfs/dbraw/zinc/40/40/02/757404002.db2.gz CBPFCWFAQBFOCQ-LVQVYYBASA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097711873 757404006 /nfs/dbraw/zinc/40/40/06/757404006.db2.gz CBPFCWFAQBFOCQ-LVQVYYBASA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097711873 757404011 /nfs/dbraw/zinc/40/40/11/757404011.db2.gz CBPFCWFAQBFOCQ-LVQVYYBASA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097711873 757404024 /nfs/dbraw/zinc/40/40/24/757404024.db2.gz CBPFCWFAQBFOCQ-LVQVYYBASA-N 2 1 307.438 1.003 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016969758 757518078 /nfs/dbraw/zinc/51/80/78/757518078.db2.gz OJPDVJYCYGEOCL-KGLIPLIRSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052704145 757668235 /nfs/dbraw/zinc/66/82/35/757668235.db2.gz ZVYRJCMHFJAYIT-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704145 757668241 /nfs/dbraw/zinc/66/82/41/757668241.db2.gz ZVYRJCMHFJAYIT-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704145 757668247 /nfs/dbraw/zinc/66/82/47/757668247.db2.gz ZVYRJCMHFJAYIT-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084606942 757704860 /nfs/dbraw/zinc/70/48/60/757704860.db2.gz GXXIDIYWBFKFAF-ZACQAIPSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084606942 757704864 /nfs/dbraw/zinc/70/48/64/757704864.db2.gz GXXIDIYWBFKFAF-ZACQAIPSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084606942 757704865 /nfs/dbraw/zinc/70/48/65/757704865.db2.gz GXXIDIYWBFKFAF-ZACQAIPSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084606942 757704869 /nfs/dbraw/zinc/70/48/69/757704869.db2.gz GXXIDIYWBFKFAF-ZACQAIPSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084843945 757968352 /nfs/dbraw/zinc/96/83/52/757968352.db2.gz AHKNRDJGZNGOMM-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084843945 757968357 /nfs/dbraw/zinc/96/83/57/757968357.db2.gz AHKNRDJGZNGOMM-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084843945 757968363 /nfs/dbraw/zinc/96/83/63/757968363.db2.gz AHKNRDJGZNGOMM-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084843945 757968365 /nfs/dbraw/zinc/96/83/65/757968365.db2.gz AHKNRDJGZNGOMM-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017703921 758167036 /nfs/dbraw/zinc/16/70/36/758167036.db2.gz KDIDEADKPNPBLB-IYBDPMFKSA-N 2 1 303.450 1.866 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017703921 758167042 /nfs/dbraw/zinc/16/70/42/758167042.db2.gz KDIDEADKPNPBLB-IYBDPMFKSA-N 2 1 303.450 1.866 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085033156 758167362 /nfs/dbraw/zinc/16/73/62/758167362.db2.gz SPAFLANODAMJRC-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101114 758239223 /nfs/dbraw/zinc/23/92/23/758239223.db2.gz UWNJCEZHHPWPGS-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101114 758239227 /nfs/dbraw/zinc/23/92/27/758239227.db2.gz UWNJCEZHHPWPGS-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101114 758239232 /nfs/dbraw/zinc/23/92/32/758239232.db2.gz UWNJCEZHHPWPGS-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145328 759223041 /nfs/dbraw/zinc/22/30/41/759223041.db2.gz NMXRLPQJYNWKAP-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279466 759225989 /nfs/dbraw/zinc/22/59/89/759225989.db2.gz LNUQXMARDDRBOT-YLADIXGZSA-N 2 1 319.449 1.053 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240166 759329663 /nfs/dbraw/zinc/32/96/63/759329663.db2.gz NTAADJAGDSMCNG-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054240166 759329673 /nfs/dbraw/zinc/32/96/73/759329673.db2.gz NTAADJAGDSMCNG-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001054240166 759329683 /nfs/dbraw/zinc/32/96/83/759329683.db2.gz NTAADJAGDSMCNG-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789025 760245926 /nfs/dbraw/zinc/24/59/26/760245926.db2.gz YVQHABBDEDPOFZ-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789025 760245933 /nfs/dbraw/zinc/24/59/33/760245933.db2.gz YVQHABBDEDPOFZ-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001038694915 761295926 /nfs/dbraw/zinc/29/59/26/761295926.db2.gz AXEXTLIPHOMWIC-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001038694915 761295931 /nfs/dbraw/zinc/29/59/31/761295931.db2.gz AXEXTLIPHOMWIC-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364076 762940278 /nfs/dbraw/zinc/94/02/78/762940278.db2.gz ORBMBTNOEDYALD-INIZCTEOSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CCC)C2 ZINC001108804297 762954302 /nfs/dbraw/zinc/95/43/02/762954302.db2.gz NIOCKMUTEQXVNL-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041344726 762970025 /nfs/dbraw/zinc/97/00/25/762970025.db2.gz WVSLSYBYAYPMHD-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041344726 762970031 /nfs/dbraw/zinc/97/00/31/762970031.db2.gz WVSLSYBYAYPMHD-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041344726 762970035 /nfs/dbraw/zinc/97/00/35/762970035.db2.gz WVSLSYBYAYPMHD-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC)C2)C1 ZINC001041367897 762983022 /nfs/dbraw/zinc/98/30/22/762983022.db2.gz JAYPIJDPWNNOQD-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001041367897 762983024 /nfs/dbraw/zinc/98/30/24/762983024.db2.gz JAYPIJDPWNNOQD-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC)C2)C1 ZINC001041367897 762983026 /nfs/dbraw/zinc/98/30/26/762983026.db2.gz JAYPIJDPWNNOQD-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC)C2)C1 ZINC001041367897 762983028 /nfs/dbraw/zinc/98/30/28/762983028.db2.gz JAYPIJDPWNNOQD-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050233 763064147 /nfs/dbraw/zinc/06/41/47/763064147.db2.gz ZCXBUVOTTNZYSZ-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050233 763064154 /nfs/dbraw/zinc/06/41/54/763064154.db2.gz ZCXBUVOTTNZYSZ-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050233 763064158 /nfs/dbraw/zinc/06/41/58/763064158.db2.gz ZCXBUVOTTNZYSZ-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041644091 763197318 /nfs/dbraw/zinc/19/73/18/763197318.db2.gz ATPXMXJVRBJDKN-SJLPKXTDSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050139440 763202538 /nfs/dbraw/zinc/20/25/38/763202538.db2.gz BSIYZHHLBURNMG-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050139440 763202547 /nfs/dbraw/zinc/20/25/47/763202547.db2.gz BSIYZHHLBURNMG-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050139440 763202555 /nfs/dbraw/zinc/20/25/55/763202555.db2.gz BSIYZHHLBURNMG-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725703 763257886 /nfs/dbraw/zinc/25/78/86/763257886.db2.gz QGSKOVPMGYBZGJ-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042187789 763755237 /nfs/dbraw/zinc/75/52/37/763755237.db2.gz OKNCLUOITKTLOI-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001050563408 763757385 /nfs/dbraw/zinc/75/73/85/763757385.db2.gz CZKIZNWQWQSUMD-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050662958 763886450 /nfs/dbraw/zinc/88/64/50/763886450.db2.gz NRFQFOQKETYRSV-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314388 763904437 /nfs/dbraw/zinc/90/44/37/763904437.db2.gz PETQXERIBXAYOU-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316706 763908909 /nfs/dbraw/zinc/90/89/09/763908909.db2.gz RIZMOKRQXZSWLP-PBHICJAKSA-N 2 1 312.417 1.317 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847871 764129672 /nfs/dbraw/zinc/12/96/72/764129672.db2.gz LGXAXVIWKJUIGI-IKGGRYGDSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109847871 764129677 /nfs/dbraw/zinc/12/96/77/764129677.db2.gz LGXAXVIWKJUIGI-IKGGRYGDSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001044684827 765751445 /nfs/dbraw/zinc/75/14/45/765751445.db2.gz KUPGJOSZIXUBAX-CABCVRRESA-N 2 1 314.433 1.364 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112196558 779644847 /nfs/dbraw/zinc/64/48/47/779644847.db2.gz QMUGFBCAAFGUTN-CHWSQXEVSA-N 2 1 321.387 1.883 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943941 766727982 /nfs/dbraw/zinc/72/79/82/766727982.db2.gz RTGCSQFAKCMYBH-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943941 766727989 /nfs/dbraw/zinc/72/79/89/766727989.db2.gz RTGCSQFAKCMYBH-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943941 766728005 /nfs/dbraw/zinc/72/80/05/766728005.db2.gz RTGCSQFAKCMYBH-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985616 766762217 /nfs/dbraw/zinc/76/22/17/766762217.db2.gz YHASLXSCFPVSKW-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985616 766762225 /nfs/dbraw/zinc/76/22/25/766762225.db2.gz YHASLXSCFPVSKW-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045985616 766762231 /nfs/dbraw/zinc/76/22/31/766762231.db2.gz YHASLXSCFPVSKW-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132938325 769336521 /nfs/dbraw/zinc/33/65/21/769336521.db2.gz TZHAEDGQJLQWTG-CVEARBPZSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098136099 769347530 /nfs/dbraw/zinc/34/75/30/769347530.db2.gz ZSFNKTWHADLOSF-ZACQAIPSSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098136099 769347542 /nfs/dbraw/zinc/34/75/42/769347542.db2.gz ZSFNKTWHADLOSF-ZACQAIPSSA-N 2 1 303.450 1.462 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001096356644 769364105 /nfs/dbraw/zinc/36/41/05/769364105.db2.gz VVUXZUIJLLYLMP-PMPSAXMXSA-N 2 1 303.450 1.770 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133166245 769556919 /nfs/dbraw/zinc/55/69/19/769556919.db2.gz RNIITPOPMJUSOZ-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001133226518 769603366 /nfs/dbraw/zinc/60/33/66/769603366.db2.gz VGZVLLPTOAGHEP-IRXDYDNUSA-N 2 1 323.481 1.052 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133262048 769641953 /nfs/dbraw/zinc/64/19/53/769641953.db2.gz FWGORDMATIQZNV-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC#CCOC)C1 ZINC001133275137 769660784 /nfs/dbraw/zinc/66/07/84/769660784.db2.gz PWNDFPOPRJFGDM-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888303 770057633 /nfs/dbraw/zinc/05/76/33/770057633.db2.gz NDOWSCSRXWTDKS-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888303 770057639 /nfs/dbraw/zinc/05/76/39/770057639.db2.gz NDOWSCSRXWTDKS-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888303 770057650 /nfs/dbraw/zinc/05/76/50/770057650.db2.gz NDOWSCSRXWTDKS-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911399 770098822 /nfs/dbraw/zinc/09/88/22/770098822.db2.gz FYTWJGPVWWJSKF-OKILXGFUSA-N 2 1 318.421 1.316 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911399 770098834 /nfs/dbraw/zinc/09/88/34/770098834.db2.gz FYTWJGPVWWJSKF-OKILXGFUSA-N 2 1 318.421 1.316 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001048918579 770109346 /nfs/dbraw/zinc/10/93/46/770109346.db2.gz JMQBVKURZVNXPF-GASCZTMLSA-N 2 1 323.868 1.758 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCc3nccn3C)C[C@H]2C1 ZINC001048954435 770160704 /nfs/dbraw/zinc/16/07/04/770160704.db2.gz QKZSRDOMZYEXGA-IYBDPMFKSA-N 2 1 316.449 1.709 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059103 770307003 /nfs/dbraw/zinc/30/70/03/770307003.db2.gz NNDQVIXFFJUNCA-RVKKMQEKSA-N 2 1 323.456 1.775 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059103 770307015 /nfs/dbraw/zinc/30/70/15/770307015.db2.gz NNDQVIXFFJUNCA-RVKKMQEKSA-N 2 1 323.456 1.775 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059103 770307026 /nfs/dbraw/zinc/30/70/26/770307026.db2.gz NNDQVIXFFJUNCA-RVKKMQEKSA-N 2 1 323.456 1.775 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049098553 770372798 /nfs/dbraw/zinc/37/27/98/770372798.db2.gz IIODONPLAYAZRW-CALCHBBNSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071997625 770409431 /nfs/dbraw/zinc/40/94/31/770409431.db2.gz CDKDEVNHCCSWMJ-HUUCEWRRSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@H]1C ZINC001071997625 770409437 /nfs/dbraw/zinc/40/94/37/770409437.db2.gz CDKDEVNHCCSWMJ-HUUCEWRRSA-N 2 1 314.433 1.754 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1cccc(C#N)c1)CC(C)(C)C ZINC001133899605 770441205 /nfs/dbraw/zinc/44/12/05/770441205.db2.gz OCKMGBMDGVTUND-UHFFFAOYSA-N 2 1 316.449 1.742 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232337 770577861 /nfs/dbraw/zinc/57/78/61/770577861.db2.gz SRDQXUJJCPGZNQ-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049484359 770916198 /nfs/dbraw/zinc/91/61/98/770916198.db2.gz GEWMSLNAPBNALZ-VQHPVUNQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049484359 770916202 /nfs/dbraw/zinc/91/62/02/770916202.db2.gz GEWMSLNAPBNALZ-VQHPVUNQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049484359 770916209 /nfs/dbraw/zinc/91/62/09/770916209.db2.gz GEWMSLNAPBNALZ-VQHPVUNQSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523539 770974177 /nfs/dbraw/zinc/97/41/77/770974177.db2.gz ZIGHGASKZHJTHV-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049523539 770974183 /nfs/dbraw/zinc/97/41/83/770974183.db2.gz ZIGHGASKZHJTHV-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049523539 770974186 /nfs/dbraw/zinc/97/41/86/770974186.db2.gz ZIGHGASKZHJTHV-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049532242 770990479 /nfs/dbraw/zinc/99/04/79/770990479.db2.gz IAGHEQZGTMYEFA-ZACQAIPSSA-N 2 1 305.466 1.661 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049538489 770999276 /nfs/dbraw/zinc/99/92/76/770999276.db2.gz WUROBCWEIWOYHH-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049538489 770999280 /nfs/dbraw/zinc/99/92/80/770999280.db2.gz WUROBCWEIWOYHH-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049538489 770999285 /nfs/dbraw/zinc/99/92/85/770999285.db2.gz WUROBCWEIWOYHH-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718758 771111584 /nfs/dbraw/zinc/11/15/84/771111584.db2.gz NJIQUVPEJKPMSE-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718758 771111585 /nfs/dbraw/zinc/11/15/85/771111585.db2.gz NJIQUVPEJKPMSE-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718758 771111586 /nfs/dbraw/zinc/11/15/86/771111586.db2.gz NJIQUVPEJKPMSE-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761444 771140244 /nfs/dbraw/zinc/14/02/44/771140244.db2.gz KFJPNFNYSZISIS-HOTGVXAUSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761444 771140248 /nfs/dbraw/zinc/14/02/48/771140248.db2.gz KFJPNFNYSZISIS-HOTGVXAUSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049914910 771254733 /nfs/dbraw/zinc/25/47/33/771254733.db2.gz SFFVGSUDHSZHRF-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919959 771261476 /nfs/dbraw/zinc/26/14/76/771261476.db2.gz QKCZJCTWVGFWJQ-ZWKOTPCHSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678683 771645897 /nfs/dbraw/zinc/64/58/97/771645897.db2.gz HLZFLKJHSRDPNJ-LSDHHAIUSA-N 2 1 304.438 1.868 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678679 771646148 /nfs/dbraw/zinc/64/61/48/771646148.db2.gz HLZFLKJHSRDPNJ-CABCVRRESA-N 2 1 304.438 1.868 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc2c1C[NH2+]CC2 ZINC001171070181 772223157 /nfs/dbraw/zinc/22/31/57/772223157.db2.gz ZTXCGSZVTVXWOR-INIZCTEOSA-N 2 1 317.433 1.971 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001091068506 772502586 /nfs/dbraw/zinc/50/25/86/772502586.db2.gz RMOAKIPIPIEELW-DQPZFDDXSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001091076209 772510896 /nfs/dbraw/zinc/51/08/96/772510896.db2.gz RPPCCSKLIVMHAU-JCYILVPMSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCC2CC2)C1 ZINC001091076209 772510898 /nfs/dbraw/zinc/51/08/98/772510898.db2.gz RPPCCSKLIVMHAU-JCYILVPMSA-N 2 1 303.450 1.369 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148604500 773531968 /nfs/dbraw/zinc/53/19/68/773531968.db2.gz GRDHSVKRJXLJPX-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604500 773531970 /nfs/dbraw/zinc/53/19/70/773531970.db2.gz GRDHSVKRJXLJPX-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148604500 773531974 /nfs/dbraw/zinc/53/19/74/773531974.db2.gz GRDHSVKRJXLJPX-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737920 773555407 /nfs/dbraw/zinc/55/54/07/773555407.db2.gz RJDVPDGQAYMVDP-AOIWGVFYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091737920 773555409 /nfs/dbraw/zinc/55/54/09/773555409.db2.gz RJDVPDGQAYMVDP-AOIWGVFYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086909865 773711142 /nfs/dbraw/zinc/71/11/42/773711142.db2.gz FWVFDBPIONTYDL-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092071063 773935911 /nfs/dbraw/zinc/93/59/11/773935911.db2.gz FPXBJUKDDOYOHO-AEFFLSMTSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092129671 773953925 /nfs/dbraw/zinc/95/39/25/773953925.db2.gz LTRUPNDGNHXWRN-AEFFLSMTSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001074837789 774177989 /nfs/dbraw/zinc/17/79/89/774177989.db2.gz OLCSJTFYNVEZDV-NOLJZWGESA-N 2 1 302.422 1.519 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1C ZINC001092688868 774232013 /nfs/dbraw/zinc/23/20/13/774232013.db2.gz DUWSUYXXQLIDSB-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001092688868 774232017 /nfs/dbraw/zinc/23/20/17/774232017.db2.gz DUWSUYXXQLIDSB-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(=C)C)C[C@H]1C ZINC001092688868 774232021 /nfs/dbraw/zinc/23/20/21/774232021.db2.gz DUWSUYXXQLIDSB-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC(=C)C)C[C@H]1C ZINC001092688868 774232026 /nfs/dbraw/zinc/23/20/26/774232026.db2.gz DUWSUYXXQLIDSB-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092907193 774314233 /nfs/dbraw/zinc/31/42/33/774314233.db2.gz XQCYYSPZAVDKNA-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907193 774314240 /nfs/dbraw/zinc/31/42/40/774314240.db2.gz XQCYYSPZAVDKNA-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907193 774314247 /nfs/dbraw/zinc/31/42/47/774314247.db2.gz XQCYYSPZAVDKNA-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098188127 774510303 /nfs/dbraw/zinc/51/03/03/774510303.db2.gz ZLUSPWFHACVKSQ-KURKYZTESA-N 2 1 315.461 1.463 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001098188127 774510307 /nfs/dbraw/zinc/51/03/07/774510307.db2.gz ZLUSPWFHACVKSQ-KURKYZTESA-N 2 1 315.461 1.463 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036809248 774668542 /nfs/dbraw/zinc/66/85/42/774668542.db2.gz HVVNFNLPOSPDOR-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099009232 774770536 /nfs/dbraw/zinc/77/05/36/774770536.db2.gz WPQYTQAOXPRKQV-WMZOPIPTSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099030117 774781446 /nfs/dbraw/zinc/78/14/46/774781446.db2.gz WTIAWWOSDFDIEN-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001099030117 774781451 /nfs/dbraw/zinc/78/14/51/774781451.db2.gz WTIAWWOSDFDIEN-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001099030117 774781457 /nfs/dbraw/zinc/78/14/57/774781457.db2.gz WTIAWWOSDFDIEN-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC)C3)CC1 ZINC001099174038 774882516 /nfs/dbraw/zinc/88/25/16/774882516.db2.gz AVQRINUXJSOIEE-HKUYNNGSSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310632 774941214 /nfs/dbraw/zinc/94/12/14/774941214.db2.gz RNQFTEXCKGVXFV-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547173 775024054 /nfs/dbraw/zinc/02/40/54/775024054.db2.gz AOUHROGNWBRLOB-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547173 775024061 /nfs/dbraw/zinc/02/40/61/775024061.db2.gz AOUHROGNWBRLOB-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547173 775024064 /nfs/dbraw/zinc/02/40/64/775024064.db2.gz AOUHROGNWBRLOB-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554471 775027797 /nfs/dbraw/zinc/02/77/97/775027797.db2.gz ZIZJMGFVZBPVIU-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554471 775027806 /nfs/dbraw/zinc/02/78/06/775027806.db2.gz ZIZJMGFVZBPVIU-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554471 775027813 /nfs/dbraw/zinc/02/78/13/775027813.db2.gz ZIZJMGFVZBPVIU-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC)C2)CC1 ZINC001036903487 776078035 /nfs/dbraw/zinc/07/80/35/776078035.db2.gz BADGBFVRZDNVTA-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001095000386 776969624 /nfs/dbraw/zinc/96/96/24/776969624.db2.gz ZJEMNXKPHQDAEM-JYJNAYRXSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150325611 777410970 /nfs/dbraw/zinc/41/09/70/777410970.db2.gz REAVPWKANOHNFA-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150325611 777410975 /nfs/dbraw/zinc/41/09/75/777410975.db2.gz REAVPWKANOHNFA-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150325611 777410980 /nfs/dbraw/zinc/41/09/80/777410980.db2.gz REAVPWKANOHNFA-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496786 778172538 /nfs/dbraw/zinc/17/25/38/778172538.db2.gz KSNQSOGFIGNLSN-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496786 778172541 /nfs/dbraw/zinc/17/25/41/778172541.db2.gz KSNQSOGFIGNLSN-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496786 778172544 /nfs/dbraw/zinc/17/25/44/778172544.db2.gz KSNQSOGFIGNLSN-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994281 778540192 /nfs/dbraw/zinc/54/01/92/778540192.db2.gz VJGHSXRTFCXTQD-KBAYOESNSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647007 778979047 /nfs/dbraw/zinc/97/90/47/778979047.db2.gz PRRXSAQZTFLJAZ-HZPDHXFCSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724455 779015101 /nfs/dbraw/zinc/01/51/01/779015101.db2.gz DDQSQOGIPCXTMX-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724455 779015109 /nfs/dbraw/zinc/01/51/09/779015109.db2.gz DDQSQOGIPCXTMX-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751772 779028968 /nfs/dbraw/zinc/02/89/68/779028968.db2.gz QIFCIKAPIXVZGV-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180135545 779618430 /nfs/dbraw/zinc/61/84/30/779618430.db2.gz HZTLODJXSMQRKG-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001112410803 779766482 /nfs/dbraw/zinc/76/64/82/779766482.db2.gz QCPFHMJFONKEPJ-SCTDSRPQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001112410802 779766573 /nfs/dbraw/zinc/76/65/73/779766573.db2.gz QCPFHMJFONKEPJ-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115302061 780019713 /nfs/dbraw/zinc/01/97/13/780019713.db2.gz MSAFTXPCOCRYLT-HZMVEIRTSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170711 781797506 /nfs/dbraw/zinc/79/75/06/781797506.db2.gz QMADYFKOYITGNG-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170711 781797512 /nfs/dbraw/zinc/79/75/12/781797512.db2.gz QMADYFKOYITGNG-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170584 781798190 /nfs/dbraw/zinc/79/81/90/781798190.db2.gz PCEBSBLNVNTYKK-MRXNPFEDSA-N 2 1 321.465 1.139 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170584 781798200 /nfs/dbraw/zinc/79/82/00/781798200.db2.gz PCEBSBLNVNTYKK-MRXNPFEDSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001266361390 836171912 /nfs/dbraw/zinc/17/19/12/836171912.db2.gz MEIBBZCRUHPSKD-QWNKOJSDSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266459025 836288795 /nfs/dbraw/zinc/28/87/95/836288795.db2.gz IKBSRQGSWZNBOT-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266459025 836288807 /nfs/dbraw/zinc/28/88/07/836288807.db2.gz IKBSRQGSWZNBOT-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001266459025 836288819 /nfs/dbraw/zinc/28/88/19/836288819.db2.gz IKBSRQGSWZNBOT-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001266870415 836974558 /nfs/dbraw/zinc/97/45/58/836974558.db2.gz JMQWWNYWRNLQHA-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267046915 837246055 /nfs/dbraw/zinc/24/60/55/837246055.db2.gz FUTKIJJBFFOVTF-AWEZNQCLSA-N 2 1 320.437 1.754 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267597426 838397706 /nfs/dbraw/zinc/39/77/06/838397706.db2.gz XINCUPXCNPVHDD-IRXDYDNUSA-N 2 1 323.481 1.311 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267646200 838568179 /nfs/dbraw/zinc/56/81/79/838568179.db2.gz MYXZDZYEMNBYSC-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267646200 838568172 /nfs/dbraw/zinc/56/81/72/838568172.db2.gz MYXZDZYEMNBYSC-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267646200 838568177 /nfs/dbraw/zinc/56/81/77/838568177.db2.gz MYXZDZYEMNBYSC-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001267695682 838666298 /nfs/dbraw/zinc/66/62/98/838666298.db2.gz DRGADHZYGKNUSA-UHFFFAOYSA-N 2 1 313.445 1.428 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001267695682 838666300 /nfs/dbraw/zinc/66/63/00/838666300.db2.gz DRGADHZYGKNUSA-UHFFFAOYSA-N 2 1 313.445 1.428 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001268021387 839395987 /nfs/dbraw/zinc/39/59/87/839395987.db2.gz GAAGGVQJPQUOLM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001268021387 839396000 /nfs/dbraw/zinc/39/60/00/839396000.db2.gz GAAGGVQJPQUOLM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001268021387 839396010 /nfs/dbraw/zinc/39/60/10/839396010.db2.gz GAAGGVQJPQUOLM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269115959 841222584 /nfs/dbraw/zinc/22/25/84/841222584.db2.gz OMRSLYQGOLWSBT-DOTOQJQBSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001269576065 841783505 /nfs/dbraw/zinc/78/35/05/841783505.db2.gz WBGXHSUUVXKKFT-OAHLLOKOSA-N 2 1 316.449 1.959 20 30 DDEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001269633580 841876806 /nfs/dbraw/zinc/87/68/06/841876806.db2.gz ZOFANYNFOMWSJZ-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001326495635 861406773 /nfs/dbraw/zinc/40/67/73/861406773.db2.gz WMUGGIJLPIESKV-INIZCTEOSA-N 2 1 313.445 1.710 20 30 DDEDMP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001326495635 861406783 /nfs/dbraw/zinc/40/67/83/861406783.db2.gz WMUGGIJLPIESKV-INIZCTEOSA-N 2 1 313.445 1.710 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001409471298 845145226 /nfs/dbraw/zinc/14/52/26/845145226.db2.gz NIMCKQJZSDAATH-HUUCEWRRSA-N 2 1 316.449 1.881 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997001493 847104810 /nfs/dbraw/zinc/10/48/10/847104810.db2.gz USXDGHQIQWJEIK-AWEZNQCLSA-N 2 1 302.422 1.521 20 30 DDEDMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001272871402 847570134 /nfs/dbraw/zinc/57/01/34/847570134.db2.gz WCUJYNIADWPGTI-SFHVURJKSA-N 2 1 320.481 1.945 20 30 DDEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001272871402 847570142 /nfs/dbraw/zinc/57/01/42/847570142.db2.gz WCUJYNIADWPGTI-SFHVURJKSA-N 2 1 320.481 1.945 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248784 848155259 /nfs/dbraw/zinc/15/52/59/848155259.db2.gz FXHQURDMJPPJKP-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248784 848155261 /nfs/dbraw/zinc/15/52/61/848155261.db2.gz FXHQURDMJPPJKP-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248784 848155262 /nfs/dbraw/zinc/15/52/62/848155262.db2.gz FXHQURDMJPPJKP-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248784 848155264 /nfs/dbraw/zinc/15/52/64/848155264.db2.gz FXHQURDMJPPJKP-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034283973 848254294 /nfs/dbraw/zinc/25/42/94/848254294.db2.gz HFBSTLRIMOSTGH-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290029 848264719 /nfs/dbraw/zinc/26/47/19/848264719.db2.gz DDOOFMRCEFDSQP-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273144381 848566504 /nfs/dbraw/zinc/56/65/04/848566504.db2.gz PQJNEIYJNVTEAE-HOTGVXAUSA-N 2 1 303.450 1.180 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCCN(C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145185 848572119 /nfs/dbraw/zinc/57/21/19/848572119.db2.gz VIASUNJRUGCOHL-QAPCUYQASA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273145185 848572124 /nfs/dbraw/zinc/57/21/24/848572124.db2.gz VIASUNJRUGCOHL-QAPCUYQASA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145185 848572135 /nfs/dbraw/zinc/57/21/35/848572135.db2.gz VIASUNJRUGCOHL-QAPCUYQASA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149841951 861937927 /nfs/dbraw/zinc/93/79/27/861937927.db2.gz MZVVYQIIRUOVQJ-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001273261447 849237168 /nfs/dbraw/zinc/23/71/68/849237168.db2.gz TZTFLWFZBAVVQI-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001273267683 849272583 /nfs/dbraw/zinc/27/25/83/849272583.db2.gz IMFRXLKXMPZQJK-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273277644 849324889 /nfs/dbraw/zinc/32/48/89/849324889.db2.gz WOWNXEDSTZOTCU-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001274959484 852716873 /nfs/dbraw/zinc/71/68/73/852716873.db2.gz XXMAOHBMWPWPRC-MRXNPFEDSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155829114 862483487 /nfs/dbraw/zinc/48/34/87/862483487.db2.gz DNFRBFSKJDRWJV-OAHLLOKOSA-N 2 1 304.438 1.822 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155829114 862483491 /nfs/dbraw/zinc/48/34/91/862483491.db2.gz DNFRBFSKJDRWJV-OAHLLOKOSA-N 2 1 304.438 1.822 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001276326943 855661510 /nfs/dbraw/zinc/66/15/10/855661510.db2.gz LUERPZRMZYIOOO-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001276326943 855661512 /nfs/dbraw/zinc/66/15/12/855661512.db2.gz LUERPZRMZYIOOO-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151392608 862753997 /nfs/dbraw/zinc/75/39/97/862753997.db2.gz NKASZVQJZWTOKC-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)CC)C2 ZINC001072822455 857758197 /nfs/dbraw/zinc/75/81/97/857758197.db2.gz HLZKFFJVGZOUKX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001072822455 857758207 /nfs/dbraw/zinc/75/82/07/857758207.db2.gz HLZKFFJVGZOUKX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)C2 ZINC001072822455 857758210 /nfs/dbraw/zinc/75/82/10/857758210.db2.gz HLZKFFJVGZOUKX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)CC)C2 ZINC001072822455 857758221 /nfs/dbraw/zinc/75/82/21/857758221.db2.gz HLZKFFJVGZOUKX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001072981500 857963379 /nfs/dbraw/zinc/96/33/79/857963379.db2.gz JGLNFFWRUWRIBJ-ZDUSSCGKSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001072981500 857963383 /nfs/dbraw/zinc/96/33/83/857963383.db2.gz JGLNFFWRUWRIBJ-ZDUSSCGKSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072981500 857963390 /nfs/dbraw/zinc/96/33/90/857963390.db2.gz JGLNFFWRUWRIBJ-ZDUSSCGKSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072981500 857963395 /nfs/dbraw/zinc/96/33/95/857963395.db2.gz JGLNFFWRUWRIBJ-ZDUSSCGKSA-N 2 1 311.857 1.615 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001072983207 857966896 /nfs/dbraw/zinc/96/68/96/857966896.db2.gz NZUNZFLCOJVROZ-SFHVURJKSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983207 857966897 /nfs/dbraw/zinc/96/68/97/857966897.db2.gz NZUNZFLCOJVROZ-SFHVURJKSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983207 857966899 /nfs/dbraw/zinc/96/68/99/857966899.db2.gz NZUNZFLCOJVROZ-SFHVURJKSA-N 2 1 321.440 1.366 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599619 858472634 /nfs/dbraw/zinc/47/26/34/858472634.db2.gz JKSYAQZBUSMLPW-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599619 858472646 /nfs/dbraw/zinc/47/26/46/858472646.db2.gz JKSYAQZBUSMLPW-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599619 858472656 /nfs/dbraw/zinc/47/26/56/858472656.db2.gz JKSYAQZBUSMLPW-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001122056232 858673726 /nfs/dbraw/zinc/67/37/26/858673726.db2.gz NERIMZGWQURTNJ-JFPDKAJLSA-N 2 1 303.450 1.369 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202953759 860443447 /nfs/dbraw/zinc/44/34/47/860443447.db2.gz IKRWTMOCKDIZCK-UHFFFAOYSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CC[N@H+](C)CCN(CC)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC001139869601 860503301 /nfs/dbraw/zinc/50/33/01/860503301.db2.gz MSSLUGVUKNIBPP-UHFFFAOYSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001325854339 860889559 /nfs/dbraw/zinc/88/95/59/860889559.db2.gz ZUQMQWNWNZJKGR-SJLPKXTDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001325854339 860889565 /nfs/dbraw/zinc/88/95/65/860889565.db2.gz ZUQMQWNWNZJKGR-SJLPKXTDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001325854339 860889575 /nfs/dbraw/zinc/88/95/75/860889575.db2.gz ZUQMQWNWNZJKGR-SJLPKXTDSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325945268 860978182 /nfs/dbraw/zinc/97/81/82/860978182.db2.gz AEMPMJUETMMAMC-DLBZAZTESA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325945268 860978194 /nfs/dbraw/zinc/97/81/94/860978194.db2.gz AEMPMJUETMMAMC-DLBZAZTESA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325945268 860978204 /nfs/dbraw/zinc/97/82/04/860978204.db2.gz AEMPMJUETMMAMC-DLBZAZTESA-N 2 1 319.493 1.910 20 30 DDEDMP COCC#CC[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001331068251 864822278 /nfs/dbraw/zinc/82/22/78/864822278.db2.gz GKXMSURGSYFHIF-UHFFFAOYSA-N 2 1 323.481 1.291 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001332203724 865662063 /nfs/dbraw/zinc/66/20/63/865662063.db2.gz FMZNFIDCNFDYHH-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001332203724 865662070 /nfs/dbraw/zinc/66/20/70/865662070.db2.gz FMZNFIDCNFDYHH-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C[C@H](C)CC)CC1 ZINC001320091609 866462193 /nfs/dbraw/zinc/46/21/93/866462193.db2.gz XNBQJPWFVMAQIV-MRXNPFEDSA-N 2 1 307.482 1.768 20 30 DDEDMP C=CCCCCC[C@H]([NH3+])C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001161500064 866716391 /nfs/dbraw/zinc/71/63/91/866716391.db2.gz TYTTVTRGYXCHJE-HOCLYGCPSA-N 2 1 309.454 1.382 20 30 DDEDMP C#CC[NH+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001323640768 866741787 /nfs/dbraw/zinc/74/17/87/866741787.db2.gz FGKMDVUXNOPFPK-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001323640768 866741799 /nfs/dbraw/zinc/74/17/99/866741799.db2.gz FGKMDVUXNOPFPK-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001324705076 867463464 /nfs/dbraw/zinc/46/34/64/867463464.db2.gz BFVFSSBMAYBKDT-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001324705076 867463482 /nfs/dbraw/zinc/46/34/82/867463482.db2.gz BFVFSSBMAYBKDT-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317154276 870377973 /nfs/dbraw/zinc/37/79/73/870377973.db2.gz VLHMSWAUVZLOOM-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001317212094 870480543 /nfs/dbraw/zinc/48/05/43/870480543.db2.gz PMJXMBUHZVEDIK-UUAJXVIYSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001317212094 870480547 /nfs/dbraw/zinc/48/05/47/870480547.db2.gz PMJXMBUHZVEDIK-UUAJXVIYSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001317212094 870480550 /nfs/dbraw/zinc/48/05/50/870480550.db2.gz PMJXMBUHZVEDIK-UUAJXVIYSA-N 2 1 305.466 1.872 20 30 DDEDMP CC#CC[N@@H+](C)CCNC(=O)c1ccccc1CC[NH+](C)C ZINC001317454823 870868084 /nfs/dbraw/zinc/86/80/84/870868084.db2.gz WKFCUSGQAFUMPB-UHFFFAOYSA-N 2 1 301.434 1.476 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316669608 870953911 /nfs/dbraw/zinc/95/39/11/870953911.db2.gz OWKOZZDFVCYZOD-MRXNPFEDSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001316680079 871020454 /nfs/dbraw/zinc/02/04/54/871020454.db2.gz FAYQBKDPAUAPIM-IRXDYDNUSA-N 2 1 307.482 1.958 20 30 DDEDMP CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001317619288 871222032 /nfs/dbraw/zinc/22/20/32/871222032.db2.gz VPSPBONLLHCTEG-MRXNPFEDSA-N 2 1 318.396 1.340 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461455 871567808 /nfs/dbraw/zinc/56/78/08/871567808.db2.gz JZRYSBKQBMUBSQ-OAHLLOKOSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(=C)C)CC1 ZINC001205479724 871574086 /nfs/dbraw/zinc/57/40/86/871574086.db2.gz UZTBDGXSPROEJD-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC(=C)C)CC1 ZINC001205479724 871574103 /nfs/dbraw/zinc/57/41/03/871574103.db2.gz UZTBDGXSPROEJD-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703787 871719899 /nfs/dbraw/zinc/71/98/99/871719899.db2.gz NIVGYPHFOONZND-UHFFFAOYSA-N 2 1 310.829 1.772 20 30 DDEDMP CC#CC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001318760204 872251671 /nfs/dbraw/zinc/25/16/71/872251671.db2.gz RUEPEKKJWKIENB-CRAIPNDOSA-N 2 1 316.449 1.870 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001318996138 872390583 /nfs/dbraw/zinc/39/05/83/872390583.db2.gz NUXWYGYCGXXMQX-SFHVURJKSA-N 2 1 313.445 1.900 20 30 DDEDMP C#CC[NH+]1CCC(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001319044408 872411966 /nfs/dbraw/zinc/41/19/66/872411966.db2.gz PJECXRMXTASGLD-IYBDPMFKSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001319115313 872445814 /nfs/dbraw/zinc/44/58/14/872445814.db2.gz GMOSNZAJBOFQLV-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001319247376 872517116 /nfs/dbraw/zinc/51/71/16/872517116.db2.gz VYTZMSCZDZOUTB-ZFWWWQNUSA-N 2 1 302.422 1.119 20 30 DDEDMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001319516698 872672506 /nfs/dbraw/zinc/67/25/06/872672506.db2.gz ZQVLSRWLZAAWEF-DOTOQJQBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001207582705 873404612 /nfs/dbraw/zinc/40/46/12/873404612.db2.gz CESNBGFKCYZMIC-OPGNADACSA-N 2 1 317.477 1.877 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490858 874185563 /nfs/dbraw/zinc/18/55/63/874185563.db2.gz KUWIFJGIOZQNTC-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210146754 875246604 /nfs/dbraw/zinc/24/66/04/875246604.db2.gz XBALXKWZKSXJNT-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269948 875735455 /nfs/dbraw/zinc/73/54/55/875735455.db2.gz WBNAVSNPBMPFFX-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211366448 875775445 /nfs/dbraw/zinc/77/54/45/875775445.db2.gz CKLDQSGVIVRUQG-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211366448 875775451 /nfs/dbraw/zinc/77/54/51/875775451.db2.gz CKLDQSGVIVRUQG-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001211366448 875775462 /nfs/dbraw/zinc/77/54/62/875775462.db2.gz CKLDQSGVIVRUQG-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922316 876103247 /nfs/dbraw/zinc/10/32/47/876103247.db2.gz ZXLQKULCNROCIB-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCCC)C[C@H]21 ZINC001221626029 879975989 /nfs/dbraw/zinc/97/59/89/879975989.db2.gz MYMTVOOJOBGNAF-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221626029 879975993 /nfs/dbraw/zinc/97/59/93/879975993.db2.gz MYMTVOOJOBGNAF-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCCC)C[C@H]21 ZINC001221626029 879976004 /nfs/dbraw/zinc/97/60/04/879976004.db2.gz MYMTVOOJOBGNAF-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCCC)C[C@H]21 ZINC001221626029 879976011 /nfs/dbraw/zinc/97/60/11/879976011.db2.gz MYMTVOOJOBGNAF-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489120 880504125 /nfs/dbraw/zinc/50/41/25/880504125.db2.gz LGMNLGWBVSYRSY-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489120 880504143 /nfs/dbraw/zinc/50/41/43/880504143.db2.gz LGMNLGWBVSYRSY-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489120 880504153 /nfs/dbraw/zinc/50/41/53/880504153.db2.gz LGMNLGWBVSYRSY-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489120 880504167 /nfs/dbraw/zinc/50/41/67/880504167.db2.gz LGMNLGWBVSYRSY-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCc1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1O ZINC001222497514 880512290 /nfs/dbraw/zinc/51/22/90/880512290.db2.gz NWHOFYZJPVTOHA-IRXDYDNUSA-N 2 1 301.434 1.647 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001223610709 881026324 /nfs/dbraw/zinc/02/63/24/881026324.db2.gz IWVSDNPTHOTXPH-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916735 881148630 /nfs/dbraw/zinc/14/86/30/881148630.db2.gz NUVSVBHOUSZFAR-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228166927 883371249 /nfs/dbraw/zinc/37/12/49/883371249.db2.gz DXSYVKLOTHXUGG-BRWVUGGUSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228166927 883371269 /nfs/dbraw/zinc/37/12/69/883371269.db2.gz DXSYVKLOTHXUGG-BRWVUGGUSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001235003636 888325485 /nfs/dbraw/zinc/32/54/85/888325485.db2.gz FYHXUJUNQBODRB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001235003636 888325499 /nfs/dbraw/zinc/32/54/99/888325499.db2.gz FYHXUJUNQBODRB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001235003636 888325509 /nfs/dbraw/zinc/32/55/09/888325509.db2.gz FYHXUJUNQBODRB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001235003636 888325519 /nfs/dbraw/zinc/32/55/19/888325519.db2.gz FYHXUJUNQBODRB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001235003636 888325530 /nfs/dbraw/zinc/32/55/30/888325530.db2.gz FYHXUJUNQBODRB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001235003632 888327576 /nfs/dbraw/zinc/32/75/76/888327576.db2.gz FYHXUJUNQBODRB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001235003632 888327593 /nfs/dbraw/zinc/32/75/93/888327593.db2.gz FYHXUJUNQBODRB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001235003632 888327607 /nfs/dbraw/zinc/32/76/07/888327607.db2.gz FYHXUJUNQBODRB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001235003632 888327619 /nfs/dbraw/zinc/32/76/19/888327619.db2.gz FYHXUJUNQBODRB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001235003632 888327632 /nfs/dbraw/zinc/32/76/32/888327632.db2.gz FYHXUJUNQBODRB-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278388299 891915980 /nfs/dbraw/zinc/91/59/80/891915980.db2.gz JKQMWDYXIZVHKV-AEFFLSMTSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278388299 891915995 /nfs/dbraw/zinc/91/59/95/891915995.db2.gz JKQMWDYXIZVHKV-AEFFLSMTSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278388299 891916015 /nfs/dbraw/zinc/91/60/15/891916015.db2.gz JKQMWDYXIZVHKV-AEFFLSMTSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001278388299 891916033 /nfs/dbraw/zinc/91/60/33/891916033.db2.gz JKQMWDYXIZVHKV-AEFFLSMTSA-N 2 1 321.465 1.090 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001366274060 892984773 /nfs/dbraw/zinc/98/47/73/892984773.db2.gz KNLHFBMPEKGOIW-YWPYICTPSA-N 2 1 320.462 1.554 20 30 DDEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001278878879 897082117 /nfs/dbraw/zinc/08/21/17/897082117.db2.gz WAYXLZXROVBBQF-CVEARBPZSA-N 2 1 311.470 1.186 20 30 DDEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001278878879 897082131 /nfs/dbraw/zinc/08/21/31/897082131.db2.gz WAYXLZXROVBBQF-CVEARBPZSA-N 2 1 311.470 1.186 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001278878879 897082144 /nfs/dbraw/zinc/08/21/44/897082144.db2.gz WAYXLZXROVBBQF-CVEARBPZSA-N 2 1 311.470 1.186 20 30 DDEDMP C[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC001390808736 900242058 /nfs/dbraw/zinc/24/20/58/900242058.db2.gz GJQKEGLVNPTWHW-UHFFFAOYSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264375101 901061439 /nfs/dbraw/zinc/06/14/39/901061439.db2.gz UFZHGMVOMNMAGC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264375101 901061450 /nfs/dbraw/zinc/06/14/50/901061450.db2.gz UFZHGMVOMNMAGC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001264970495 901357534 /nfs/dbraw/zinc/35/75/34/901357534.db2.gz RLEYNKUJCCQVJJ-OAHLLOKOSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001264970495 901357539 /nfs/dbraw/zinc/35/75/39/901357539.db2.gz RLEYNKUJCCQVJJ-OAHLLOKOSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001264970495 901357549 /nfs/dbraw/zinc/35/75/49/901357549.db2.gz RLEYNKUJCCQVJJ-OAHLLOKOSA-N 2 1 320.462 1.652 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001265720679 902339575 /nfs/dbraw/zinc/33/95/75/902339575.db2.gz PMJXMBUHZVEDIK-NRKLIOEPSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265720679 902339588 /nfs/dbraw/zinc/33/95/88/902339588.db2.gz PMJXMBUHZVEDIK-NRKLIOEPSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265720679 902339604 /nfs/dbraw/zinc/33/96/04/902339604.db2.gz PMJXMBUHZVEDIK-NRKLIOEPSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001316611148 904896877 /nfs/dbraw/zinc/89/68/77/904896877.db2.gz XUUAOIIZKSIJET-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001282957274 906327911 /nfs/dbraw/zinc/32/79/11/906327911.db2.gz GFCOMRLGAHLAPV-ULQDDVLXSA-N 2 1 323.481 1.357 20 30 DDEDMP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC#CCOC)CC2)[NH+](C)C ZINC001284067106 908419914 /nfs/dbraw/zinc/41/99/14/908419914.db2.gz KGVHXWLYIAGESC-XYJFISCASA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284492443 909074080 /nfs/dbraw/zinc/07/40/80/909074080.db2.gz KEDIMJDSDWULHT-DLBZAZTESA-N 2 1 323.481 1.046 20 30 DDEDMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001376802812 919432986 /nfs/dbraw/zinc/43/29/86/919432986.db2.gz QCWCWVHEERXTJI-GJZGRUSLSA-N 2 1 314.433 1.494 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001377413696 921810300 /nfs/dbraw/zinc/81/03/00/921810300.db2.gz QIGKZZFIVDTPFZ-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001377706054 922757925 /nfs/dbraw/zinc/75/79/25/922757925.db2.gz NFUJGUWKSROBKJ-PFSRBDOWSA-N 2 1 313.873 1.954 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342126077 529823149 /nfs/dbraw/zinc/82/31/49/529823149.db2.gz JPKFXENYQXFHJN-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)CC[C@@H]1CCCO1)CC[C@H]1CCCO1 ZINC000342126077 529823151 /nfs/dbraw/zinc/82/31/51/529823151.db2.gz JPKFXENYQXFHJN-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)CC[C@@H]1CCCO1)CC[C@H]1CCCO1 ZINC000342126077 529823153 /nfs/dbraw/zinc/82/31/53/529823153.db2.gz JPKFXENYQXFHJN-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507787 356523974 /nfs/dbraw/zinc/52/39/74/356523974.db2.gz QUIXMDSSYBNRSP-BPQIPLTHSA-N 2 1 320.481 1.847 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595905599 356699849 /nfs/dbraw/zinc/69/98/49/356699849.db2.gz DVHWOXRRCBVCJG-SFHVURJKSA-N 2 1 317.433 1.980 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000595905599 356699852 /nfs/dbraw/zinc/69/98/52/356699852.db2.gz DVHWOXRRCBVCJG-SFHVURJKSA-N 2 1 317.433 1.980 20 30 DDEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000599313698 357888793 /nfs/dbraw/zinc/88/87/93/357888793.db2.gz FOUGXQVCAGEHAL-ULQDDVLXSA-N 2 1 323.481 1.862 20 30 DDEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000599313698 357888795 /nfs/dbraw/zinc/88/87/95/357888795.db2.gz FOUGXQVCAGEHAL-ULQDDVLXSA-N 2 1 323.481 1.862 20 30 DDEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000599313698 357888799 /nfs/dbraw/zinc/88/87/99/357888799.db2.gz FOUGXQVCAGEHAL-ULQDDVLXSA-N 2 1 323.481 1.862 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600722164 358296359 /nfs/dbraw/zinc/29/63/59/358296359.db2.gz YOWNORMMJWXHPJ-HOCLYGCPSA-N 2 1 320.437 1.489 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000602878144 359261263 /nfs/dbraw/zinc/26/12/63/359261263.db2.gz WGFZIQOLDMKYSR-UHFFFAOYSA-N 2 1 317.437 1.060 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120462067 781960443 /nfs/dbraw/zinc/96/04/43/781960443.db2.gz VECNYQMQMJFVNR-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120462067 781960451 /nfs/dbraw/zinc/96/04/51/781960451.db2.gz VECNYQMQMJFVNR-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120462067 781960457 /nfs/dbraw/zinc/96/04/57/781960457.db2.gz VECNYQMQMJFVNR-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000362037525 285012758 /nfs/dbraw/zinc/01/27/58/285012758.db2.gz IYOGQTUWXKNHPX-MLHJIOFPSA-N 2 1 321.465 1.927 20 30 DDEDMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCSCC#N)CC1 ZINC000074990306 406918724 /nfs/dbraw/zinc/91/87/24/406918724.db2.gz BQQMLGPYVWCEBF-UHFFFAOYSA-N 2 1 312.483 1.119 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970079 407085778 /nfs/dbraw/zinc/08/57/78/407085778.db2.gz XRAYQSQVDBCBPC-GOSISDBHSA-N 2 1 320.481 1.849 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)cc1 ZINC000104183160 407348447 /nfs/dbraw/zinc/34/84/47/407348447.db2.gz IWSHUFLGTYBOEY-UHFFFAOYSA-N 2 1 319.453 1.449 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)cc1 ZINC000104183160 407348448 /nfs/dbraw/zinc/34/84/48/407348448.db2.gz IWSHUFLGTYBOEY-UHFFFAOYSA-N 2 1 319.453 1.449 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)cc1 ZINC000104183160 407348450 /nfs/dbraw/zinc/34/84/50/407348450.db2.gz IWSHUFLGTYBOEY-UHFFFAOYSA-N 2 1 319.453 1.449 20 30 DDEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292046250 408968901 /nfs/dbraw/zinc/96/89/01/408968901.db2.gz AWLVVRRRBGQABQ-HOTGVXAUSA-N 2 1 300.406 1.891 20 30 DDEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292046250 408968905 /nfs/dbraw/zinc/96/89/05/408968905.db2.gz AWLVVRRRBGQABQ-HOTGVXAUSA-N 2 1 300.406 1.891 20 30 DDEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292046250 408968908 /nfs/dbraw/zinc/96/89/08/408968908.db2.gz AWLVVRRRBGQABQ-HOTGVXAUSA-N 2 1 300.406 1.891 20 30 DDEDMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292046250 408968911 /nfs/dbraw/zinc/96/89/11/408968911.db2.gz AWLVVRRRBGQABQ-HOTGVXAUSA-N 2 1 300.406 1.891 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CC[N@H+]1C ZINC000316810821 409857611 /nfs/dbraw/zinc/85/76/11/409857611.db2.gz PWBUKOAIBZCQQP-FVQBIDKESA-N 2 1 303.406 1.370 20 30 DDEDMP C=CCN(CC=C)C(=O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000350744417 409989281 /nfs/dbraw/zinc/98/92/81/409989281.db2.gz AOGUNCKZGSXAGB-KRWDZBQOSA-N 2 1 305.466 1.851 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000328053111 409930620 /nfs/dbraw/zinc/93/06/20/409930620.db2.gz ZSFIRVYIAOJFRD-QGZVFWFLSA-N 2 1 304.434 1.588 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000328053111 409930625 /nfs/dbraw/zinc/93/06/25/409930625.db2.gz ZSFIRVYIAOJFRD-QGZVFWFLSA-N 2 1 304.434 1.588 20 30 DDEDMP C=C(Br)CNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261987097 222265959 /nfs/dbraw/zinc/26/59/59/222265959.db2.gz QJGJPOKHRXJQIL-BXKDBHETSA-N 2 1 315.259 1.543 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000195522171 222204252 /nfs/dbraw/zinc/20/42/52/222204252.db2.gz IUBBOKBKIFTHRJ-INIZCTEOSA-N 2 1 320.437 1.383 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261992242 222267873 /nfs/dbraw/zinc/26/78/73/222267873.db2.gz RMZJDQMRYCGSGP-GJZGRUSLSA-N 2 1 317.437 1.204 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261702636 222255044 /nfs/dbraw/zinc/25/50/44/222255044.db2.gz JJDVQMOLLXISDD-JYJNAYRXSA-N 2 1 308.470 1.262 20 30 DDEDMP C[NH+]=C(NCc1ccsc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261714052 222255663 /nfs/dbraw/zinc/25/56/63/222255663.db2.gz KFPHVWUVRYHALX-OAHLLOKOSA-N 2 1 322.478 1.478 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc([C@@H](C)O)cc1 ZINC000264072971 222313319 /nfs/dbraw/zinc/31/33/19/222313319.db2.gz DQRQMNLVJZBHAY-CZUORRHYSA-N 2 1 304.438 1.629 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(F)cccc1F ZINC000264086306 222315541 /nfs/dbraw/zinc/31/55/41/222315541.db2.gz JLXNYZDQIOTPMR-GFCCVEGCSA-N 2 1 310.392 1.896 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N(C)C)c(F)c1 ZINC000264093577 222316978 /nfs/dbraw/zinc/31/69/78/222316978.db2.gz LVBMOJURQLHJFV-CQSZACIVSA-N 2 1 321.444 1.780 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264116612 222320419 /nfs/dbraw/zinc/32/04/19/222320419.db2.gz SYQAIURPDPZELK-KGLIPLIRSA-N 2 1 324.494 1.899 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NC[C@@]1([NH+](C)C)CCSC1 ZINC000267227777 222378358 /nfs/dbraw/zinc/37/83/58/222378358.db2.gz VXWCMQXWJQDGEN-INIZCTEOSA-N 2 1 322.478 1.537 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377923709 418717604 /nfs/dbraw/zinc/71/76/04/418717604.db2.gz OALSBSLSOZOKPK-QGZVFWFLSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000376736745 418700850 /nfs/dbraw/zinc/70/08/50/418700850.db2.gz UADSLAMDQDRAKF-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000376736745 418700852 /nfs/dbraw/zinc/70/08/52/418700852.db2.gz UADSLAMDQDRAKF-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000371009526 418756291 /nfs/dbraw/zinc/75/62/91/418756291.db2.gz NMYRSPHJTHSZML-QGZVFWFLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C(C)C ZINC000362769308 418759991 /nfs/dbraw/zinc/75/99/91/418759991.db2.gz KNJDXHRKYDNJFY-YESZJQIVSA-N 2 1 307.482 1.999 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000424136500 228233464 /nfs/dbraw/zinc/23/34/64/228233464.db2.gz QSNRULQPQJSYHA-DLBZAZTESA-N 2 1 314.433 1.788 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424147546 228236264 /nfs/dbraw/zinc/23/62/64/228236264.db2.gz ROHYPPJWYMACEO-PVAVHDDUSA-N 2 1 314.433 1.787 20 30 DDEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430927016 420209737 /nfs/dbraw/zinc/20/97/37/420209737.db2.gz HMDISMHYBVJULY-KGLIPLIRSA-N 2 1 307.463 1.932 20 30 DDEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430927016 420209741 /nfs/dbraw/zinc/20/97/41/420209741.db2.gz HMDISMHYBVJULY-KGLIPLIRSA-N 2 1 307.463 1.932 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000430718576 420182309 /nfs/dbraw/zinc/18/23/09/420182309.db2.gz CRHMCAVRIVXKCW-MRXNPFEDSA-N 2 1 303.406 1.462 20 30 DDEDMP CC[NH+]1CCC([N@@H+]2CCCN(c3cccc(C#N)n3)CC2)CC1 ZINC000420633487 420337552 /nfs/dbraw/zinc/33/75/52/420337552.db2.gz YOHXYBFELFTEPW-UHFFFAOYSA-N 2 1 313.449 1.950 20 30 DDEDMP CC[NH+]1CCC([N@H+]2CCCN(c3cccc(C#N)n3)CC2)CC1 ZINC000420633487 420337555 /nfs/dbraw/zinc/33/75/55/420337555.db2.gz YOHXYBFELFTEPW-UHFFFAOYSA-N 2 1 313.449 1.950 20 30 DDEDMP C=CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCC[NH2+]1 ZINC000662668705 424729125 /nfs/dbraw/zinc/72/91/25/424729125.db2.gz PUEXHTOEHOOAOM-RDJZCZTQSA-N 2 1 309.454 1.158 20 30 DDEDMP CN1CC[N@@H+](CCCNC(=[NH2+])NC2CC2)[C@H](c2ccccc2)C1 ZINC000264116358 277104739 /nfs/dbraw/zinc/10/47/39/277104739.db2.gz SRLAPQNMDOSNDA-KRWDZBQOSA-N 2 1 315.465 1.432 20 30 DDEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])NC2CC2)[C@H](c2ccccc2)C1 ZINC000264116358 277104741 /nfs/dbraw/zinc/10/47/41/277104741.db2.gz SRLAPQNMDOSNDA-KRWDZBQOSA-N 2 1 315.465 1.432 20 30 DDEDMP C[N@H+]1CCN(CCCNC(=[NH2+])NC2CC2)[C@H](c2ccccc2)C1 ZINC000264116358 277104743 /nfs/dbraw/zinc/10/47/43/277104743.db2.gz SRLAPQNMDOSNDA-KRWDZBQOSA-N 2 1 315.465 1.432 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000424167409 303151816 /nfs/dbraw/zinc/15/18/16/303151816.db2.gz DQPDRALJIOWEJH-CWRNSKLLSA-N 2 1 304.438 1.483 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000171714037 337088684 /nfs/dbraw/zinc/08/86/84/337088684.db2.gz NSGDJJDWHSJQMS-AWEZNQCLSA-N 2 1 306.454 1.420 20 30 DDEDMP C=CCNC(=O)[C@H](C)[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344149778 526630439 /nfs/dbraw/zinc/63/04/39/526630439.db2.gz RRKDSNSPGXRPDN-INIZCTEOSA-N 2 1 310.486 1.027 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000491121844 526826583 /nfs/dbraw/zinc/82/65/83/526826583.db2.gz SMDYYLUEVWQNJY-IEBWSBKVSA-N 2 1 314.477 1.837 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000491121844 526826593 /nfs/dbraw/zinc/82/65/93/526826593.db2.gz SMDYYLUEVWQNJY-IEBWSBKVSA-N 2 1 314.477 1.837 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000490804615 526926763 /nfs/dbraw/zinc/92/67/63/526926763.db2.gz ZUQKPYDIARYUFP-MRXNPFEDSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553078 695280585 /nfs/dbraw/zinc/28/05/85/695280585.db2.gz YBFCMCVNYRZKQW-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553078 695280587 /nfs/dbraw/zinc/28/05/87/695280587.db2.gz YBFCMCVNYRZKQW-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553078 695280590 /nfs/dbraw/zinc/28/05/90/695280590.db2.gz YBFCMCVNYRZKQW-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974648610 695703628 /nfs/dbraw/zinc/70/36/28/695703628.db2.gz DNJFZJFSEHGONY-HOTGVXAUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974648610 695703631 /nfs/dbraw/zinc/70/36/31/695703631.db2.gz DNJFZJFSEHGONY-HOTGVXAUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974648610 695703633 /nfs/dbraw/zinc/70/36/33/695703633.db2.gz DNJFZJFSEHGONY-HOTGVXAUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978611208 696423209 /nfs/dbraw/zinc/42/32/09/696423209.db2.gz CQYPHTIJDLGNCI-LUKYLMHMSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978611208 696423210 /nfs/dbraw/zinc/42/32/10/696423210.db2.gz CQYPHTIJDLGNCI-LUKYLMHMSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978611208 696423211 /nfs/dbraw/zinc/42/32/11/696423211.db2.gz CQYPHTIJDLGNCI-LUKYLMHMSA-N 2 1 305.466 1.588 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000086141086 696565769 /nfs/dbraw/zinc/56/57/69/696565769.db2.gz BRCLEPPOAJFFST-XHSDSOJGSA-N 2 1 322.497 1.839 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982234976 697068594 /nfs/dbraw/zinc/06/85/94/697068594.db2.gz FTXSECPHNXBXCI-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234976 697068596 /nfs/dbraw/zinc/06/85/96/697068596.db2.gz FTXSECPHNXBXCI-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234976 697068598 /nfs/dbraw/zinc/06/85/98/697068598.db2.gz FTXSECPHNXBXCI-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000985442191 697511743 /nfs/dbraw/zinc/51/17/43/697511743.db2.gz DBWFDJZQFYDUON-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000985442191 697511745 /nfs/dbraw/zinc/51/17/45/697511745.db2.gz DBWFDJZQFYDUON-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000985442191 697511748 /nfs/dbraw/zinc/51/17/48/697511748.db2.gz DBWFDJZQFYDUON-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800550 697576675 /nfs/dbraw/zinc/57/66/75/697576675.db2.gz IGKQFALKTFUYLS-SFHVURJKSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000985800550 697576676 /nfs/dbraw/zinc/57/66/76/697576676.db2.gz IGKQFALKTFUYLS-SFHVURJKSA-N 2 1 313.445 1.845 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000303876920 698608081 /nfs/dbraw/zinc/60/80/81/698608081.db2.gz FDCQFHKABKVAMF-OWCLPIDISA-N 2 1 309.502 1.638 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303876920 698608085 /nfs/dbraw/zinc/60/80/85/698608085.db2.gz FDCQFHKABKVAMF-OWCLPIDISA-N 3 1 309.502 1.638 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000303876920 698608089 /nfs/dbraw/zinc/60/80/89/698608089.db2.gz FDCQFHKABKVAMF-OWCLPIDISA-N 3 1 309.502 1.638 20 30 DDEDMP [NH2+]=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N1CCCCC1 ZINC000303883963 698609192 /nfs/dbraw/zinc/60/91/92/698609192.db2.gz IYAAPLUHPSMDEZ-QGZVFWFLSA-N 2 1 316.449 1.206 20 30 DDEDMP C=CC[NH+]1CCC(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000729943556 699495930 /nfs/dbraw/zinc/49/59/30/699495930.db2.gz XJNPGFWWBRSVNV-HNNXBMFYSA-N 2 1 310.511 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730277837 699505808 /nfs/dbraw/zinc/50/58/08/699505808.db2.gz DDADJUPQACOBAL-MHORFTMASA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730277837 699505809 /nfs/dbraw/zinc/50/58/09/699505809.db2.gz DDADJUPQACOBAL-MHORFTMASA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730277837 699505810 /nfs/dbraw/zinc/50/58/10/699505810.db2.gz DDADJUPQACOBAL-MHORFTMASA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730277837 699505811 /nfs/dbraw/zinc/50/58/11/699505811.db2.gz DDADJUPQACOBAL-MHORFTMASA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000730279987 699506439 /nfs/dbraw/zinc/50/64/39/699506439.db2.gz WCYGWSAAYMHEBX-BQFCYCMXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000730279987 699506440 /nfs/dbraw/zinc/50/64/40/699506440.db2.gz WCYGWSAAYMHEBX-BQFCYCMXSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794584067 699817931 /nfs/dbraw/zinc/81/79/31/699817931.db2.gz DLJOLLOZRYYLBP-INIZCTEOSA-N 2 1 303.406 1.310 20 30 DDEDMP N#Cc1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000843072627 702813645 /nfs/dbraw/zinc/81/36/45/702813645.db2.gz JMSRBTSJNHJQDK-ZWKOTPCHSA-N 2 1 317.433 1.418 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000852889262 704162432 /nfs/dbraw/zinc/16/24/32/704162432.db2.gz RJEVXVHNPHZFFK-AEFFLSMTSA-N 2 1 315.461 1.465 20 30 DDEDMP CC(C)(C#N)C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000857235015 704567997 /nfs/dbraw/zinc/56/79/97/704567997.db2.gz WTMIULMIHKIPCF-HOTGVXAUSA-N 2 1 309.454 1.520 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000876775021 705871104 /nfs/dbraw/zinc/87/11/04/705871104.db2.gz MIODKWGTUXJUQE-AWEZNQCLSA-N 2 1 313.804 1.844 20 30 DDEDMP Cc1ccc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)cc1C#N ZINC000863465299 705935137 /nfs/dbraw/zinc/93/51/37/705935137.db2.gz AQERRKUFMZJFGX-INIZCTEOSA-N 2 1 316.405 1.974 20 30 DDEDMP Cc1ccc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)cc1C#N ZINC000863465299 705935138 /nfs/dbraw/zinc/93/51/38/705935138.db2.gz AQERRKUFMZJFGX-INIZCTEOSA-N 2 1 316.405 1.974 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865938225 706570315 /nfs/dbraw/zinc/57/03/15/706570315.db2.gz DSZZQPKQSZENEC-UHFFFAOYSA-N 2 1 323.372 1.901 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865938225 706570317 /nfs/dbraw/zinc/57/03/17/706570317.db2.gz DSZZQPKQSZENEC-UHFFFAOYSA-N 2 1 323.372 1.901 20 30 DDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1CCCC[C@H]1C ZINC000884188615 708179177 /nfs/dbraw/zinc/17/91/77/708179177.db2.gz MBCMUABNAFHOBF-FTRJEVOPSA-N 2 1 318.465 1.505 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000884198216 708184381 /nfs/dbraw/zinc/18/43/81/708184381.db2.gz PNENWCDNOUIMIZ-HOTGVXAUSA-N 2 1 308.470 1.360 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000884198216 708184384 /nfs/dbraw/zinc/18/43/84/708184384.db2.gz PNENWCDNOUIMIZ-HOTGVXAUSA-N 2 1 308.470 1.360 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCC)C1 ZINC000889032871 709436647 /nfs/dbraw/zinc/43/66/47/709436647.db2.gz XUOUYJJSHXGTEF-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000889032871 709436649 /nfs/dbraw/zinc/43/66/49/709436649.db2.gz XUOUYJJSHXGTEF-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCC)C1 ZINC000889032871 709436652 /nfs/dbraw/zinc/43/66/52/709436652.db2.gz XUOUYJJSHXGTEF-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCC)C1 ZINC000889032871 709436653 /nfs/dbraw/zinc/43/66/53/709436653.db2.gz XUOUYJJSHXGTEF-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000900418319 709586189 /nfs/dbraw/zinc/58/61/89/709586189.db2.gz OPFRFHSBNHHCLK-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000890363455 709836371 /nfs/dbraw/zinc/83/63/71/709836371.db2.gz PCARUYOUBLAXCE-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000890363455 709836372 /nfs/dbraw/zinc/83/63/72/709836372.db2.gz PCARUYOUBLAXCE-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891921508 710328176 /nfs/dbraw/zinc/32/81/76/710328176.db2.gz PIMGTCIGTBHERP-QGZVFWFLSA-N 2 1 306.454 1.117 20 30 DDEDMP N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)C2 ZINC000903776866 711276450 /nfs/dbraw/zinc/27/64/50/711276450.db2.gz XFMLHWPAOKYFEZ-PKOBYXMFSA-N 2 1 311.429 1.879 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000928655576 713253891 /nfs/dbraw/zinc/25/38/91/713253891.db2.gz ZOBDDKXBTMFMHB-QGZVFWFLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000905571464 712081689 /nfs/dbraw/zinc/08/16/89/712081689.db2.gz QRXWKXBXCHWYQV-CQSZACIVSA-N 2 1 310.511 1.136 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000905571464 712081693 /nfs/dbraw/zinc/08/16/93/712081693.db2.gz QRXWKXBXCHWYQV-CQSZACIVSA-N 2 1 310.511 1.136 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000914150195 713348758 /nfs/dbraw/zinc/34/87/58/713348758.db2.gz MFFBLAUTTFDPAQ-JKSUJKDBSA-N 2 1 304.438 1.010 20 30 DDEDMP C[N@@H+](C[C@H](O)CC#N)C1CCN(CCc2ccccn2)CC1 ZINC000929796661 713691391 /nfs/dbraw/zinc/69/13/91/713691391.db2.gz CIVLUASMIOIBPF-QGZVFWFLSA-N 2 1 302.422 1.295 20 30 DDEDMP CN(C[C@H](O)CC#N)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929796661 713691393 /nfs/dbraw/zinc/69/13/93/713691393.db2.gz CIVLUASMIOIBPF-QGZVFWFLSA-N 2 1 302.422 1.295 20 30 DDEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000925812508 714941748 /nfs/dbraw/zinc/94/17/48/714941748.db2.gz IFPWJPYVWVJTDE-BHYGNILZSA-N 2 1 303.381 1.944 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202200 716860580 /nfs/dbraw/zinc/86/05/80/716860580.db2.gz UHMRWHBVXYWNFY-DLBZAZTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202200 716860584 /nfs/dbraw/zinc/86/05/84/716860584.db2.gz UHMRWHBVXYWNFY-DLBZAZTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940744726 716940538 /nfs/dbraw/zinc/94/05/38/716940538.db2.gz LAFNCIRIZCIRHU-JKSUJKDBSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971745 717055198 /nfs/dbraw/zinc/05/51/98/717055198.db2.gz BQOWUNLVJGRTSA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971745 717055200 /nfs/dbraw/zinc/05/52/00/717055200.db2.gz BQOWUNLVJGRTSA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971745 717055204 /nfs/dbraw/zinc/05/52/04/717055204.db2.gz BQOWUNLVJGRTSA-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078248 717097206 /nfs/dbraw/zinc/09/72/06/717097206.db2.gz BPOITKMXGLQHIY-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167072 717120368 /nfs/dbraw/zinc/12/03/68/717120368.db2.gz QDQFLCLVFILHIE-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964564 718370745 /nfs/dbraw/zinc/37/07/45/718370745.db2.gz JQAADZDTUHJNPA-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964564 718370746 /nfs/dbraw/zinc/37/07/46/718370746.db2.gz JQAADZDTUHJNPA-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947492662 719186074 /nfs/dbraw/zinc/18/60/74/719186074.db2.gz LONAFZMXTIREPB-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947552722 719209553 /nfs/dbraw/zinc/20/95/53/719209553.db2.gz XNGRSHIGBCCGKC-ZBFHGGJFSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968493718 719622155 /nfs/dbraw/zinc/62/21/55/719622155.db2.gz WNCREZMHKDGTAI-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948765797 719694979 /nfs/dbraw/zinc/69/49/79/719694979.db2.gz CUXRDZOCPQEHKD-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948765797 719694980 /nfs/dbraw/zinc/69/49/80/719694980.db2.gz CUXRDZOCPQEHKD-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948765797 719694981 /nfs/dbraw/zinc/69/49/81/719694981.db2.gz CUXRDZOCPQEHKD-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949098788 719907086 /nfs/dbraw/zinc/90/70/86/719907086.db2.gz FBLRJVAMYNVDHE-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000950350133 720590718 /nfs/dbraw/zinc/59/07/18/720590718.db2.gz MHAYJJKAIFENJN-UHFFFAOYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000950381230 720606199 /nfs/dbraw/zinc/60/61/99/720606199.db2.gz MVZKNEGAXNISEJ-DOTOQJQBSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420986 720755188 /nfs/dbraw/zinc/75/51/88/720755188.db2.gz UPUOGTJFLROSLT-OCCSQVGLSA-N 2 1 302.422 1.376 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970911531 720982854 /nfs/dbraw/zinc/98/28/54/720982854.db2.gz VLXKCVWPRGIWKV-HOCLYGCPSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911531 720982855 /nfs/dbraw/zinc/98/28/55/720982855.db2.gz VLXKCVWPRGIWKV-HOCLYGCPSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001027631137 738488196 /nfs/dbraw/zinc/48/81/96/738488196.db2.gz NWTGICZTWVHWFB-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001027631137 738488197 /nfs/dbraw/zinc/48/81/97/738488197.db2.gz NWTGICZTWVHWFB-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001020517792 732457240 /nfs/dbraw/zinc/45/72/40/732457240.db2.gz NWAHDHFIQLPFIT-IHRRRGAJSA-N 2 1 322.840 1.743 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232516 732847417 /nfs/dbraw/zinc/84/74/17/732847417.db2.gz FUUBDSLZMBUQJV-CYBMUJFWSA-N 2 1 313.873 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621625 733377096 /nfs/dbraw/zinc/37/70/96/733377096.db2.gz CGEYWLCWXTWBSQ-AEFFLSMTSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001039278759 733407943 /nfs/dbraw/zinc/40/79/43/733407943.db2.gz ADYASWSOXKJERP-NPYXIHBLSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605682 734861498 /nfs/dbraw/zinc/86/14/98/734861498.db2.gz OMYJPHMULFNWOP-JCYILVPMSA-N 2 1 323.481 1.546 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001027976571 738895982 /nfs/dbraw/zinc/89/59/82/738895982.db2.gz DDUNGTHBGLGLAN-LSDHHAIUSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=C)C)CC1 ZINC001024812338 736108631 /nfs/dbraw/zinc/10/86/31/736108631.db2.gz NKAKZCLQVWULDP-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001020236260 737005612 /nfs/dbraw/zinc/00/56/12/737005612.db2.gz XJEWNEOXBPDTBX-IIAWOOMASA-N 2 1 307.438 1.053 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001038367450 737452603 /nfs/dbraw/zinc/45/26/03/737452603.db2.gz MCFDNZVBHVBLLY-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001026505358 737621839 /nfs/dbraw/zinc/62/18/39/737621839.db2.gz AIAQIVOJTCCZPH-KLAILNCOSA-N 2 1 305.466 1.615 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001027979626 738901517 /nfs/dbraw/zinc/90/15/17/738901517.db2.gz FTIVYLYEXDYZOD-LSDHHAIUSA-N 2 1 302.422 1.602 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028195285 739147601 /nfs/dbraw/zinc/14/76/01/739147601.db2.gz MKVKVUHYLFWEHZ-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035361651 751446555 /nfs/dbraw/zinc/44/65/55/751446555.db2.gz OEJGPKJHPFFOPO-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028765709 740010028 /nfs/dbraw/zinc/01/00/28/740010028.db2.gz DWXOBLSJRHPDOA-AWEZNQCLSA-N 2 1 303.406 1.416 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001203442201 740761964 /nfs/dbraw/zinc/76/19/64/740761964.db2.gz GHYJDOWLUKKIHD-UHFFFAOYSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908482 740847241 /nfs/dbraw/zinc/84/72/41/740847241.db2.gz DMGCWNUBTSBTMC-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908482 740847244 /nfs/dbraw/zinc/84/72/44/740847244.db2.gz DMGCWNUBTSBTMC-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908482 740847246 /nfs/dbraw/zinc/84/72/46/740847246.db2.gz DMGCWNUBTSBTMC-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908482 740847249 /nfs/dbraw/zinc/84/72/49/740847249.db2.gz DMGCWNUBTSBTMC-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001088000291 740938347 /nfs/dbraw/zinc/93/83/47/740938347.db2.gz YNIQBUBTWSWAPP-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001088000291 740938348 /nfs/dbraw/zinc/93/83/48/740938348.db2.gz YNIQBUBTWSWAPP-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001088000291 740938351 /nfs/dbraw/zinc/93/83/51/740938351.db2.gz YNIQBUBTWSWAPP-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3nccn3C)C[C@@H]2C1 ZINC001088050851 740969070 /nfs/dbraw/zinc/96/90/70/740969070.db2.gz YILUEBHSMXDDMT-CVEARBPZSA-N 2 1 314.433 1.156 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170540 741083607 /nfs/dbraw/zinc/08/36/07/741083607.db2.gz VYWBHGDCUXYJMR-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170540 741083610 /nfs/dbraw/zinc/08/36/10/741083610.db2.gz VYWBHGDCUXYJMR-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170540 741083612 /nfs/dbraw/zinc/08/36/12/741083612.db2.gz VYWBHGDCUXYJMR-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001088288546 741332760 /nfs/dbraw/zinc/33/27/60/741332760.db2.gz XQMMNFZUYNZEKZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001088288546 741332763 /nfs/dbraw/zinc/33/27/63/741332763.db2.gz XQMMNFZUYNZEKZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)C(C)C)C2)CC1 ZINC001029909558 741574384 /nfs/dbraw/zinc/57/43/84/741574384.db2.gz NUJJOPHSUGDJFN-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375588 742335506 /nfs/dbraw/zinc/33/55/06/742335506.db2.gz RKFHGDBZSWWZTH-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375588 742335513 /nfs/dbraw/zinc/33/55/13/742335513.db2.gz RKFHGDBZSWWZTH-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375588 742335522 /nfs/dbraw/zinc/33/55/22/742335522.db2.gz RKFHGDBZSWWZTH-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523651 742458814 /nfs/dbraw/zinc/45/88/14/742458814.db2.gz MPEFBZQZMDQQDE-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC001040539879 742931154 /nfs/dbraw/zinc/93/11/54/742931154.db2.gz SDCHFNNCBKICPI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040539879 742931160 /nfs/dbraw/zinc/93/11/60/742931160.db2.gz SDCHFNNCBKICPI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040539879 742931164 /nfs/dbraw/zinc/93/11/64/742931164.db2.gz SDCHFNNCBKICPI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040539879 742931170 /nfs/dbraw/zinc/93/11/70/742931170.db2.gz SDCHFNNCBKICPI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040539879 742931173 /nfs/dbraw/zinc/93/11/73/742931173.db2.gz SDCHFNNCBKICPI-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168368569 743374706 /nfs/dbraw/zinc/37/47/06/743374706.db2.gz CPHQKNFEUTYLBJ-UHFFFAOYSA-N 2 1 308.426 1.270 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001182692300 743698692 /nfs/dbraw/zinc/69/86/92/743698692.db2.gz HNZAHZIQGIBMSF-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992405669 744858815 /nfs/dbraw/zinc/85/88/15/744858815.db2.gz HAVRCGZWUYFVDA-YJBOKZPZSA-N 2 1 303.450 1.772 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802343 745000735 /nfs/dbraw/zinc/00/07/35/745000735.db2.gz VSHHSEBNLBREIY-YESZJQIVSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190176641 745141328 /nfs/dbraw/zinc/14/13/28/745141328.db2.gz NXSXPYQAKFOLNS-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191028432 745408219 /nfs/dbraw/zinc/40/82/19/745408219.db2.gz ATFMTNOMEXCNHV-KRWDZBQOSA-N 2 1 314.433 1.464 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570849 745804707 /nfs/dbraw/zinc/80/47/07/745804707.db2.gz BOWDBRFHNICRRS-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001099236452 745813517 /nfs/dbraw/zinc/81/35/17/745813517.db2.gz ZNJDOSRZVNNVGR-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236452 745813522 /nfs/dbraw/zinc/81/35/22/745813522.db2.gz ZNJDOSRZVNNVGR-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCC[C@H]1C ZINC001099236452 745813526 /nfs/dbraw/zinc/81/35/26/745813526.db2.gz ZNJDOSRZVNNVGR-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679956 745861156 /nfs/dbraw/zinc/86/11/56/745861156.db2.gz JVFYTTKINRIZPU-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840301 746426263 /nfs/dbraw/zinc/42/62/63/746426263.db2.gz GRGQYQIXEAXEPB-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994491160 746687186 /nfs/dbraw/zinc/68/71/86/746687186.db2.gz XPJKUJPYSKBWTO-CRAIPNDOSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001003056345 746946427 /nfs/dbraw/zinc/94/64/27/746946427.db2.gz PSXPMKIWKDLLRW-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001003056345 746946431 /nfs/dbraw/zinc/94/64/31/746946431.db2.gz PSXPMKIWKDLLRW-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001032837154 747085038 /nfs/dbraw/zinc/08/50/38/747085038.db2.gz RJTWEWDYUZVNLS-BACDZXNISA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333492 747132602 /nfs/dbraw/zinc/13/26/02/747132602.db2.gz RIGYWZSKTJOAOD-BFHRDPOASA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003630051 747337227 /nfs/dbraw/zinc/33/72/27/747337227.db2.gz IQYUAZAUIHTUKU-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001198363674 747464401 /nfs/dbraw/zinc/46/44/01/747464401.db2.gz GXSOIZJCLDSTHL-UHFFFAOYSA-N 2 1 305.466 1.810 20 30 DDEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089621323 747483879 /nfs/dbraw/zinc/48/38/79/747483879.db2.gz QVBXTHLGQUCAAA-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089621323 747483883 /nfs/dbraw/zinc/48/38/83/747483883.db2.gz QVBXTHLGQUCAAA-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089621323 747483886 /nfs/dbraw/zinc/48/38/86/747483886.db2.gz QVBXTHLGQUCAAA-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089621323 747483888 /nfs/dbraw/zinc/48/38/88/747483888.db2.gz QVBXTHLGQUCAAA-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642543 747540195 /nfs/dbraw/zinc/54/01/95/747540195.db2.gz MWJXUHGDVIJSKY-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642543 747540200 /nfs/dbraw/zinc/54/02/00/747540200.db2.gz MWJXUHGDVIJSKY-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642543 747540207 /nfs/dbraw/zinc/54/02/07/747540207.db2.gz MWJXUHGDVIJSKY-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001201229656 748437377 /nfs/dbraw/zinc/43/73/77/748437377.db2.gz FNRZRDHGMPACFR-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141605 748528104 /nfs/dbraw/zinc/52/81/04/748528104.db2.gz NQXOUXKZUFMGBV-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141605 748528108 /nfs/dbraw/zinc/52/81/08/748528108.db2.gz NQXOUXKZUFMGBV-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141605 748528114 /nfs/dbraw/zinc/52/81/14/748528114.db2.gz NQXOUXKZUFMGBV-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP CN(C)C=[NH+]c1ccc(NC(=[NH2+])N2CCN(C)CC2)cc1C#N ZINC001168741313 748746640 /nfs/dbraw/zinc/74/66/40/748746640.db2.gz WWQQHFDMHBJFEO-XDHOZWIPSA-N 2 1 313.409 1.374 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409581 752301273 /nfs/dbraw/zinc/30/12/73/752301273.db2.gz IJVBDTVCVPQXLI-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](F)CC)C2)CC1 ZINC001032207163 748843018 /nfs/dbraw/zinc/84/30/18/748843018.db2.gz FTSQJQBURRJGAF-MRXNPFEDSA-N 2 1 309.429 1.128 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107074942 748927687 /nfs/dbraw/zinc/92/76/87/748927687.db2.gz MKLFSRNBWSSMLE-SJLPKXTDSA-N 2 1 315.461 1.989 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107074942 748927691 /nfs/dbraw/zinc/92/76/91/748927691.db2.gz MKLFSRNBWSSMLE-SJLPKXTDSA-N 2 1 315.461 1.989 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001039309592 761923912 /nfs/dbraw/zinc/92/39/12/761923912.db2.gz RNXGHTLZNZBBMW-HMQMGEFJSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001039309592 761923916 /nfs/dbraw/zinc/92/39/16/761923916.db2.gz RNXGHTLZNZBBMW-HMQMGEFJSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)C)C(C)(C)C1 ZINC000995913876 749296197 /nfs/dbraw/zinc/29/61/97/749296197.db2.gz BBZJCCLNYZFUKA-JKSUJKDBSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=C)C)C(C)(C)C1 ZINC000995913876 749296201 /nfs/dbraw/zinc/29/62/01/749296201.db2.gz BBZJCCLNYZFUKA-JKSUJKDBSA-N 2 1 303.450 1.487 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996302129 749497908 /nfs/dbraw/zinc/49/79/08/749497908.db2.gz WDNGBRXJLJGLPS-JSGCOSHPSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939640 750185612 /nfs/dbraw/zinc/18/56/12/750185612.db2.gz IWDHSNHHUUSGRZ-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939640 750185617 /nfs/dbraw/zinc/18/56/17/750185617.db2.gz IWDHSNHHUUSGRZ-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034047204 750313642 /nfs/dbraw/zinc/31/36/42/750313642.db2.gz DEDQDZZINOJJMO-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034047204 750313647 /nfs/dbraw/zinc/31/36/47/750313647.db2.gz DEDQDZZINOJJMO-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034047204 750313655 /nfs/dbraw/zinc/31/36/55/750313655.db2.gz DEDQDZZINOJJMO-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034047204 750313661 /nfs/dbraw/zinc/31/36/61/750313661.db2.gz DEDQDZZINOJJMO-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997188239 750682648 /nfs/dbraw/zinc/68/26/48/750682648.db2.gz RYXCPSYZCSYHNX-CYBMUJFWSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107952330 750837398 /nfs/dbraw/zinc/83/73/98/750837398.db2.gz ATVFEEKTSLMULE-JZXOWHBKSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107952330 750837406 /nfs/dbraw/zinc/83/74/06/750837406.db2.gz ATVFEEKTSLMULE-JZXOWHBKSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952330 750837414 /nfs/dbraw/zinc/83/74/14/750837414.db2.gz ATVFEEKTSLMULE-JZXOWHBKSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952330 750837424 /nfs/dbraw/zinc/83/74/24/750837424.db2.gz ATVFEEKTSLMULE-JZXOWHBKSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908326 750859297 /nfs/dbraw/zinc/85/92/97/750859297.db2.gz TTXJGJCGRQJRQL-FJIDUMEYSA-N 2 1 315.461 1.274 20 30 DDEDMP C=C(C)CN1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954016 750865425 /nfs/dbraw/zinc/86/54/25/750865425.db2.gz DNETVTZULVYAEA-BFYDXBDKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107954016 750865430 /nfs/dbraw/zinc/86/54/30/750865430.db2.gz DNETVTZULVYAEA-BFYDXBDKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954016 750865438 /nfs/dbraw/zinc/86/54/38/750865438.db2.gz DNETVTZULVYAEA-BFYDXBDKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954016 750865445 /nfs/dbraw/zinc/86/54/45/750865445.db2.gz DNETVTZULVYAEA-BFYDXBDKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954016 750865454 /nfs/dbraw/zinc/86/54/54/750865454.db2.gz DNETVTZULVYAEA-BFYDXBDKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC=C)CC1 ZINC000997624493 751164106 /nfs/dbraw/zinc/16/41/06/751164106.db2.gz QAUXCFRYVSGECA-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCC=C)CC1 ZINC000997624493 751164109 /nfs/dbraw/zinc/16/41/09/751164109.db2.gz QAUXCFRYVSGECA-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000707540 762115378 /nfs/dbraw/zinc/11/53/78/762115378.db2.gz GYMFWUDVGFVKRS-QGZVFWFLSA-N 2 1 301.434 1.100 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)[NH+](C)C)CC2 ZINC001035229360 751331650 /nfs/dbraw/zinc/33/16/50/751331650.db2.gz JZDVGZNLGZFCSL-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008829835 752937847 /nfs/dbraw/zinc/93/78/47/752937847.db2.gz UGSSCNWKVDTAMO-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001009172528 753097413 /nfs/dbraw/zinc/09/74/13/753097413.db2.gz ZXIOOSDDEIJCHE-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009172528 753097418 /nfs/dbraw/zinc/09/74/18/753097418.db2.gz ZXIOOSDDEIJCHE-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009172528 753097421 /nfs/dbraw/zinc/09/74/21/753097421.db2.gz ZXIOOSDDEIJCHE-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001009172528 753097424 /nfs/dbraw/zinc/09/74/24/753097424.db2.gz ZXIOOSDDEIJCHE-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005872341 753286757 /nfs/dbraw/zinc/28/67/57/753286757.db2.gz WRMPLLWAPGWSLD-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006117717 753610698 /nfs/dbraw/zinc/61/06/98/753610698.db2.gz ZKIJVUSFEHYNOG-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967506 753927960 /nfs/dbraw/zinc/92/79/60/753927960.db2.gz FFDHYVBKQLSZHV-CVEARBPZSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967506 753927964 /nfs/dbraw/zinc/92/79/64/753927964.db2.gz FFDHYVBKQLSZHV-CVEARBPZSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967506 753927967 /nfs/dbraw/zinc/92/79/67/753927967.db2.gz FFDHYVBKQLSZHV-CVEARBPZSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001000841142 762253361 /nfs/dbraw/zinc/25/33/61/762253361.db2.gz LKWKANVIPBXTIO-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001000841142 762253365 /nfs/dbraw/zinc/25/33/65/762253365.db2.gz LKWKANVIPBXTIO-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001000841142 762253369 /nfs/dbraw/zinc/25/33/69/762253369.db2.gz LKWKANVIPBXTIO-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080557168 755979034 /nfs/dbraw/zinc/97/90/34/755979034.db2.gz ISIWXXNMOCELPV-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557168 755979038 /nfs/dbraw/zinc/97/90/38/755979038.db2.gz ISIWXXNMOCELPV-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557168 755979044 /nfs/dbraw/zinc/97/90/44/755979044.db2.gz ISIWXXNMOCELPV-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015602727 756404981 /nfs/dbraw/zinc/40/49/81/756404981.db2.gz HDSRMYCFAJUFDU-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015602727 756404984 /nfs/dbraw/zinc/40/49/84/756404984.db2.gz HDSRMYCFAJUFDU-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015602727 756404986 /nfs/dbraw/zinc/40/49/86/756404986.db2.gz HDSRMYCFAJUFDU-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263999 762466891 /nfs/dbraw/zinc/46/68/91/762466891.db2.gz KQHOFKHVBGYIKN-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263999 762466894 /nfs/dbraw/zinc/46/68/94/762466894.db2.gz KQHOFKHVBGYIKN-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263999 762466898 /nfs/dbraw/zinc/46/68/98/762466898.db2.gz KQHOFKHVBGYIKN-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001082053053 756607964 /nfs/dbraw/zinc/60/79/64/756607964.db2.gz VVRPBTKNJNLRMQ-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082053053 756607967 /nfs/dbraw/zinc/60/79/67/756607967.db2.gz VVRPBTKNJNLRMQ-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053053 756607970 /nfs/dbraw/zinc/60/79/70/756607970.db2.gz VVRPBTKNJNLRMQ-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053053 756607973 /nfs/dbraw/zinc/60/79/73/756607973.db2.gz VVRPBTKNJNLRMQ-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742561 756910252 /nfs/dbraw/zinc/91/02/52/756910252.db2.gz KAHUTGWMAJFEMY-CKEIUWERSA-N 2 1 311.445 1.821 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016664462 757248802 /nfs/dbraw/zinc/24/88/02/757248802.db2.gz XUJPSYBGXPOZHG-HUUCEWRRSA-N 2 1 312.417 1.364 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC=C)CC2 ZINC001016669140 757251263 /nfs/dbraw/zinc/25/12/63/757251263.db2.gz CNXLTOXYFTZALW-IRXDYDNUSA-N 2 1 315.461 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCC=C)CC2 ZINC001016669140 757251272 /nfs/dbraw/zinc/25/12/72/757251272.db2.gz CNXLTOXYFTZALW-IRXDYDNUSA-N 2 1 315.461 1.631 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016738455 757309789 /nfs/dbraw/zinc/30/97/89/757309789.db2.gz SKUQBXGVPRQQDV-HNNXBMFYSA-N 2 1 300.406 1.186 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097706699 757394065 /nfs/dbraw/zinc/39/40/65/757394065.db2.gz CBLZHZRPVLHMAU-WCXIOVBPSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097706699 757394076 /nfs/dbraw/zinc/39/40/76/757394076.db2.gz CBLZHZRPVLHMAU-WCXIOVBPSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097706699 757394089 /nfs/dbraw/zinc/39/40/89/757394089.db2.gz CBLZHZRPVLHMAU-WCXIOVBPSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097706699 757394103 /nfs/dbraw/zinc/39/41/03/757394103.db2.gz CBLZHZRPVLHMAU-WCXIOVBPSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355361 757509759 /nfs/dbraw/zinc/50/97/59/757509759.db2.gz TUFVWZOZWQCFJF-QBPKDAKJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355361 757509765 /nfs/dbraw/zinc/50/97/65/757509765.db2.gz TUFVWZOZWQCFJF-QBPKDAKJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001084355361 757509769 /nfs/dbraw/zinc/50/97/69/757509769.db2.gz TUFVWZOZWQCFJF-QBPKDAKJSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016983926 757530090 /nfs/dbraw/zinc/53/00/90/757530090.db2.gz AJVQSVNERGNBRG-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040490436 762557549 /nfs/dbraw/zinc/55/75/49/762557549.db2.gz ASYKXGQUSLPGIF-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040490436 762557555 /nfs/dbraw/zinc/55/75/55/762557555.db2.gz ASYKXGQUSLPGIF-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040490436 762557559 /nfs/dbraw/zinc/55/75/59/762557559.db2.gz ASYKXGQUSLPGIF-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492976 762559099 /nfs/dbraw/zinc/55/90/99/762559099.db2.gz WNMOKDQMGJNYCH-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492976 762559105 /nfs/dbraw/zinc/55/91/05/762559105.db2.gz WNMOKDQMGJNYCH-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492976 762559111 /nfs/dbraw/zinc/55/91/11/762559111.db2.gz WNMOKDQMGJNYCH-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040496569 762562702 /nfs/dbraw/zinc/56/27/02/762562702.db2.gz KAXRKUSOZALJJK-GOSISDBHSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706521 757670001 /nfs/dbraw/zinc/67/00/01/757670001.db2.gz ULEKAVJXAHWLQE-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706521 757670008 /nfs/dbraw/zinc/67/00/08/757670008.db2.gz ULEKAVJXAHWLQE-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819384 757822416 /nfs/dbraw/zinc/82/24/16/757822416.db2.gz FCHBGKQZQCNTJY-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040531654 762581222 /nfs/dbraw/zinc/58/12/22/762581222.db2.gz RLOBSRZOLHHIAN-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040531654 762581227 /nfs/dbraw/zinc/58/12/27/762581227.db2.gz RLOBSRZOLHHIAN-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040531654 762581233 /nfs/dbraw/zinc/58/12/33/762581233.db2.gz RLOBSRZOLHHIAN-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052872294 757910210 /nfs/dbraw/zinc/91/02/10/757910210.db2.gz AWIAFOYPYOEICL-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052872294 757910219 /nfs/dbraw/zinc/91/02/19/757910219.db2.gz AWIAFOYPYOEICL-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001084833280 757963363 /nfs/dbraw/zinc/96/33/63/757963363.db2.gz WRTGIGVXOGPYSI-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001084833280 757963367 /nfs/dbraw/zinc/96/33/67/757963367.db2.gz WRTGIGVXOGPYSI-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC#CC)CC2)CC1 ZINC001052953803 758004661 /nfs/dbraw/zinc/00/46/61/758004661.db2.gz IIQIXHGSKBOTOY-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085074988 758205971 /nfs/dbraw/zinc/20/59/71/758205971.db2.gz LCVVURDUBUMURV-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085074988 758205978 /nfs/dbraw/zinc/20/59/78/758205978.db2.gz LCVVURDUBUMURV-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085074988 758205986 /nfs/dbraw/zinc/20/59/86/758205986.db2.gz LCVVURDUBUMURV-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145384 759221621 /nfs/dbraw/zinc/22/16/21/759221621.db2.gz OPJFFHAICXBZLN-AEFFLSMTSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC=C)C2)C1 ZINC001054146216 759223545 /nfs/dbraw/zinc/22/35/45/759223545.db2.gz AMIQIHUULDAZKO-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC=C)C2)C1 ZINC001054146216 759223554 /nfs/dbraw/zinc/22/35/54/759223554.db2.gz AMIQIHUULDAZKO-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC=C)C2)C1 ZINC001054146216 759223562 /nfs/dbraw/zinc/22/35/62/759223562.db2.gz AMIQIHUULDAZKO-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC=C)C2)C1 ZINC001054146216 759223573 /nfs/dbraw/zinc/22/35/73/759223573.db2.gz AMIQIHUULDAZKO-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054154168 759235016 /nfs/dbraw/zinc/23/50/16/759235016.db2.gz QOCCKOCYVZSPKU-AEFFLSMTSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240763 759330908 /nfs/dbraw/zinc/33/09/08/759330908.db2.gz BMFJUCPJUUTXHO-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054240763 759330917 /nfs/dbraw/zinc/33/09/17/759330917.db2.gz BMFJUCPJUUTXHO-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639098 759910947 /nfs/dbraw/zinc/91/09/47/759910947.db2.gz HWNHYSRCFSMTEW-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639098 759910953 /nfs/dbraw/zinc/91/09/53/759910953.db2.gz HWNHYSRCFSMTEW-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639098 759910958 /nfs/dbraw/zinc/91/09/58/759910958.db2.gz HWNHYSRCFSMTEW-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639098 759910960 /nfs/dbraw/zinc/91/09/60/759910960.db2.gz HWNHYSRCFSMTEW-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(C)CN1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108216408 760419714 /nfs/dbraw/zinc/41/97/14/760419714.db2.gz YZRVPUZCXJGGHB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001108216408 760419720 /nfs/dbraw/zinc/41/97/20/760419720.db2.gz YZRVPUZCXJGGHB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108216408 760419727 /nfs/dbraw/zinc/41/97/27/760419727.db2.gz YZRVPUZCXJGGHB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108216408 760419738 /nfs/dbraw/zinc/41/97/38/760419738.db2.gz YZRVPUZCXJGGHB-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC=C(C)C)CC1 ZINC001085986965 760656751 /nfs/dbraw/zinc/65/67/51/760656751.db2.gz QMYVFUIFZHUPAJ-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001020239782 760711916 /nfs/dbraw/zinc/71/19/16/760711916.db2.gz HLQIEQQTRGIETP-JHJVBQTASA-N 2 1 308.813 1.750 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247824 760944796 /nfs/dbraw/zinc/94/47/96/760944796.db2.gz JZXBNBBBYHPEMD-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247824 760944808 /nfs/dbraw/zinc/94/48/08/760944808.db2.gz JZXBNBBBYHPEMD-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247824 760944814 /nfs/dbraw/zinc/94/48/14/760944814.db2.gz JZXBNBBBYHPEMD-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086460257 761649289 /nfs/dbraw/zinc/64/92/89/761649289.db2.gz OLLMWKOOFOXCHV-BZUAXINKSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285986 762933986 /nfs/dbraw/zinc/93/39/86/762933986.db2.gz ITYHHIXLNLACCK-AEFFLSMTSA-N 2 1 303.450 1.439 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432885 763028516 /nfs/dbraw/zinc/02/85/16/763028516.db2.gz UHCVXOIOKJXZLE-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432885 763028521 /nfs/dbraw/zinc/02/85/21/763028521.db2.gz UHCVXOIOKJXZLE-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432885 763028523 /nfs/dbraw/zinc/02/85/23/763028523.db2.gz UHCVXOIOKJXZLE-HKUYNNGSSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472510 763639322 /nfs/dbraw/zinc/63/93/22/763639322.db2.gz VGDOMUBOFMGVBG-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472510 763639330 /nfs/dbraw/zinc/63/93/30/763639330.db2.gz VGDOMUBOFMGVBG-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001050755958 764005139 /nfs/dbraw/zinc/00/51/39/764005139.db2.gz PBHWAICSCWOWNW-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001113254769 765490697 /nfs/dbraw/zinc/49/06/97/765490697.db2.gz NBZHPJJIIUPLME-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001113254769 765490700 /nfs/dbraw/zinc/49/07/00/765490700.db2.gz NBZHPJJIIUPLME-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001113360706 765613267 /nfs/dbraw/zinc/61/32/67/765613267.db2.gz FEIKEQDEIORWIP-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCF)C3)CC1 ZINC001047208218 768315393 /nfs/dbraw/zinc/31/53/93/768315393.db2.gz AOOZCXOCBUDYNO-XIRDDKMYSA-N 2 1 321.440 1.270 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052511689 765905527 /nfs/dbraw/zinc/90/55/27/765905527.db2.gz DCTYAEWFOKGDLL-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052511689 765905531 /nfs/dbraw/zinc/90/55/31/765905531.db2.gz DCTYAEWFOKGDLL-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663655 766052542 /nfs/dbraw/zinc/05/25/42/766052542.db2.gz VWJYNJHGMRSGAL-MRXNPFEDSA-N 2 1 317.433 1.949 20 30 DDEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129856407 767019134 /nfs/dbraw/zinc/01/91/34/767019134.db2.gz QGZGZGARCLUDDB-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577445 767706371 /nfs/dbraw/zinc/70/63/71/767706371.db2.gz XQDHEOFURNTRIA-QAPCUYQASA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577445 767706374 /nfs/dbraw/zinc/70/63/74/767706374.db2.gz XQDHEOFURNTRIA-QAPCUYQASA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613736 767739692 /nfs/dbraw/zinc/73/96/92/767739692.db2.gz GBFODICXLJAFKW-CRAIPNDOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613736 767739694 /nfs/dbraw/zinc/73/96/94/767739694.db2.gz GBFODICXLJAFKW-CRAIPNDOSA-N 2 1 316.449 1.911 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105926 768632497 /nfs/dbraw/zinc/63/24/97/768632497.db2.gz OLVVPBGARLBANK-JKSUJKDBSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132105926 768632501 /nfs/dbraw/zinc/63/25/01/768632501.db2.gz OLVVPBGARLBANK-JKSUJKDBSA-N 2 1 321.465 1.090 20 30 DDEDMP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001132886097 769287838 /nfs/dbraw/zinc/28/78/38/769287838.db2.gz CBPZEKKIHVKXJE-STQMWFEESA-N 2 1 320.462 1.556 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133142112 769526738 /nfs/dbraw/zinc/52/67/38/769526738.db2.gz KNWDFZLXYMXHBP-JKSUJKDBSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048860935 770004475 /nfs/dbraw/zinc/00/44/75/770004475.db2.gz HPBXMASQVQQVTG-JZXOWHBKSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048860935 770004488 /nfs/dbraw/zinc/00/44/88/770004488.db2.gz HPBXMASQVQQVTG-JZXOWHBKSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048860935 770004502 /nfs/dbraw/zinc/00/45/02/770004502.db2.gz HPBXMASQVQQVTG-JZXOWHBKSA-N 2 1 315.461 1.417 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048872659 770026603 /nfs/dbraw/zinc/02/66/03/770026603.db2.gz BWPSMBRHRIDMGG-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872659 770026612 /nfs/dbraw/zinc/02/66/12/770026612.db2.gz BWPSMBRHRIDMGG-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872659 770026620 /nfs/dbraw/zinc/02/66/20/770026620.db2.gz BWPSMBRHRIDMGG-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959107 770166661 /nfs/dbraw/zinc/16/66/61/770166661.db2.gz CWGKKBNJVPSIQZ-KSZLIROESA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049000790 770230800 /nfs/dbraw/zinc/23/08/00/770230800.db2.gz HJGHMPNCQBEUIJ-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049000790 770230812 /nfs/dbraw/zinc/23/08/12/770230812.db2.gz HJGHMPNCQBEUIJ-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049000790 770230821 /nfs/dbraw/zinc/23/08/21/770230821.db2.gz HJGHMPNCQBEUIJ-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094565 770360810 /nfs/dbraw/zinc/36/08/10/770360810.db2.gz MGQORSRQUCWIRW-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535034 770993745 /nfs/dbraw/zinc/99/37/45/770993745.db2.gz XZUMVANNBPMOLY-ZACQAIPSSA-N 2 1 305.466 1.661 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049627983 771030958 /nfs/dbraw/zinc/03/09/58/771030958.db2.gz DDEAZHTZSILUGJ-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688157 771087950 /nfs/dbraw/zinc/08/79/50/771087950.db2.gz RTRJKSHSHQJFEW-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716850 771110206 /nfs/dbraw/zinc/11/02/06/771110206.db2.gz GSHXKGHZXZFMQJ-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716850 771110207 /nfs/dbraw/zinc/11/02/07/771110207.db2.gz GSHXKGHZXZFMQJ-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716850 771110208 /nfs/dbraw/zinc/11/02/08/771110208.db2.gz GSHXKGHZXZFMQJ-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134810332 771188561 /nfs/dbraw/zinc/18/85/61/771188561.db2.gz XSQVEUFDUUURGM-QWHCGFSZSA-N 2 1 308.426 1.799 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919957 771261492 /nfs/dbraw/zinc/26/14/92/771261492.db2.gz QKCZJCTWVGFWJQ-QZTJIDSGSA-N 2 1 317.477 1.951 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085388 771616884 /nfs/dbraw/zinc/61/68/84/771616884.db2.gz FMVNKSVNJUQWQV-TWMKSMIVSA-N 2 1 303.450 1.626 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001097105649 771626110 /nfs/dbraw/zinc/62/61/10/771626110.db2.gz HREXCIHLDPVKRE-JJTUDDRGSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097105649 771626114 /nfs/dbraw/zinc/62/61/14/771626114.db2.gz HREXCIHLDPVKRE-JJTUDDRGSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001097105649 771626117 /nfs/dbraw/zinc/62/61/17/771626117.db2.gz HREXCIHLDPVKRE-JJTUDDRGSA-N 2 1 303.450 1.462 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]c1ccc2[nH]c(=O)cc-2[nH]1 ZINC001171069166 772219257 /nfs/dbraw/zinc/21/92/57/772219257.db2.gz AEHKMYYSBDMZGT-NSHDSACASA-N 2 1 318.377 1.215 20 30 DDEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001171189899 772539293 /nfs/dbraw/zinc/53/92/93/772539293.db2.gz NWBQIWVNRVMIJF-HNNXBMFYSA-N 2 1 314.433 1.243 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091667251 773268076 /nfs/dbraw/zinc/26/80/76/773268076.db2.gz QHSVWFGLNQHOTL-AOIWGVFYSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001148286309 773433349 /nfs/dbraw/zinc/43/33/49/773433349.db2.gz WFXDKKPPCKZQQP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148286309 773433350 /nfs/dbraw/zinc/43/33/50/773433350.db2.gz WFXDKKPPCKZQQP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001148286309 773433353 /nfs/dbraw/zinc/43/33/53/773433353.db2.gz WFXDKKPPCKZQQP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758823 773625892 /nfs/dbraw/zinc/62/58/92/773625892.db2.gz MTAGCYPXBLJNPJ-RYRKJORJSA-N 2 1 307.482 1.929 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001086932228 773736998 /nfs/dbraw/zinc/73/69/98/773736998.db2.gz DZVHLVRPEQZTFW-HNNXBMFYSA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275498 774040336 /nfs/dbraw/zinc/04/03/36/774040336.db2.gz GBIMOGWGWRUEEE-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302313 774053342 /nfs/dbraw/zinc/05/33/42/774053342.db2.gz YIJRLGOMVXQKCA-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001092688800 774232156 /nfs/dbraw/zinc/23/21/56/774232156.db2.gz ASAPLCMIMMYDMR-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001092688800 774232160 /nfs/dbraw/zinc/23/21/60/774232160.db2.gz ASAPLCMIMMYDMR-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001092688800 774232163 /nfs/dbraw/zinc/23/21/63/774232163.db2.gz ASAPLCMIMMYDMR-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CCC2)C[C@H]1C ZINC001092688800 774232167 /nfs/dbraw/zinc/23/21/67/774232167.db2.gz ASAPLCMIMMYDMR-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC=C)C[C@H]1C ZINC001092689410 774233738 /nfs/dbraw/zinc/23/37/38/774233738.db2.gz LFNCEJHOISUEGW-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC=C)C[C@H]1C ZINC001092689410 774233742 /nfs/dbraw/zinc/23/37/42/774233742.db2.gz LFNCEJHOISUEGW-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC=C)C[C@H]1C ZINC001092689410 774233743 /nfs/dbraw/zinc/23/37/43/774233743.db2.gz LFNCEJHOISUEGW-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC=C)C[C@H]1C ZINC001092689410 774233745 /nfs/dbraw/zinc/23/37/45/774233745.db2.gz LFNCEJHOISUEGW-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC#CC)C[C@H]2C)CC1 ZINC001093224230 774535822 /nfs/dbraw/zinc/53/58/22/774535822.db2.gz OJBOVXRTAYJXRX-SJLPKXTDSA-N 2 1 315.461 1.039 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1ccnc1C)C2 ZINC001098407321 774568857 /nfs/dbraw/zinc/56/88/57/774568857.db2.gz DRCBNQLFQWQKOO-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001098407321 774568861 /nfs/dbraw/zinc/56/88/61/774568861.db2.gz DRCBNQLFQWQKOO-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001098407321 774568862 /nfs/dbraw/zinc/56/88/62/774568862.db2.gz DRCBNQLFQWQKOO-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479170 774591437 /nfs/dbraw/zinc/59/14/37/774591437.db2.gz VBHUYNJCLIELCG-WBVHZDCISA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479170 774591439 /nfs/dbraw/zinc/59/14/39/774591439.db2.gz VBHUYNJCLIELCG-WBVHZDCISA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479170 774591443 /nfs/dbraw/zinc/59/14/43/774591443.db2.gz VBHUYNJCLIELCG-WBVHZDCISA-N 2 1 323.481 1.046 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001098875596 774701417 /nfs/dbraw/zinc/70/14/17/774701417.db2.gz SGRUQPFLZJWUBC-DAYGRLMNSA-N 2 1 314.433 1.917 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001098875596 774701420 /nfs/dbraw/zinc/70/14/20/774701420.db2.gz SGRUQPFLZJWUBC-DAYGRLMNSA-N 2 1 314.433 1.917 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001099254690 774920006 /nfs/dbraw/zinc/92/00/06/774920006.db2.gz TYWYOAYAINBMAE-FDYHWXHSSA-N 2 1 319.371 1.492 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554473 775028462 /nfs/dbraw/zinc/02/84/62/775028462.db2.gz ZKHYIDZKBGBROY-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554473 775028467 /nfs/dbraw/zinc/02/84/67/775028467.db2.gz ZKHYIDZKBGBROY-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554473 775028475 /nfs/dbraw/zinc/02/84/75/775028475.db2.gz ZKHYIDZKBGBROY-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036895914 776007074 /nfs/dbraw/zinc/00/70/74/776007074.db2.gz GKYGLAUKLDEBFJ-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036903516 776080218 /nfs/dbraw/zinc/08/02/18/776080218.db2.gz BMROVSJYOHPHIR-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001171757591 776446728 /nfs/dbraw/zinc/44/67/28/776446728.db2.gz KLHKQZPNPMHKGL-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001095057499 777046320 /nfs/dbraw/zinc/04/63/20/777046320.db2.gz PVAMPPSGZOXRTE-JYJNAYRXSA-N 2 1 302.422 1.737 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001101365705 777097667 /nfs/dbraw/zinc/09/76/67/777097667.db2.gz FRNLOCNGJJKMED-RYRKJORJSA-N 2 1 323.481 1.310 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397901 777115766 /nfs/dbraw/zinc/11/57/66/777115766.db2.gz MRYWLLFTDVNKKB-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101397901 777115768 /nfs/dbraw/zinc/11/57/68/777115768.db2.gz MRYWLLFTDVNKKB-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001176070994 778010709 /nfs/dbraw/zinc/01/07/09/778010709.db2.gz ATQPAZAWLIANHD-AWEZNQCLSA-N 2 1 318.396 1.245 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580978 778221547 /nfs/dbraw/zinc/22/15/47/778221547.db2.gz SZOCITKASWPYGG-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580978 778221552 /nfs/dbraw/zinc/22/15/52/778221552.db2.gz SZOCITKASWPYGG-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596398 778229735 /nfs/dbraw/zinc/22/97/35/778229735.db2.gz DBKCPVMMUUBTID-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177120146 778433765 /nfs/dbraw/zinc/43/37/65/778433765.db2.gz UGJAEDAYBIWFLD-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177120146 778433768 /nfs/dbraw/zinc/43/37/68/778433768.db2.gz UGJAEDAYBIWFLD-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177124773 778437656 /nfs/dbraw/zinc/43/76/56/778437656.db2.gz LHLHITCMBXJSRH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124773 778437659 /nfs/dbraw/zinc/43/76/59/778437659.db2.gz LHLHITCMBXJSRH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124773 778437662 /nfs/dbraw/zinc/43/76/62/778437662.db2.gz LHLHITCMBXJSRH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124773 778437665 /nfs/dbraw/zinc/43/76/65/778437665.db2.gz LHLHITCMBXJSRH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@@H]21 ZINC001177139705 778459208 /nfs/dbraw/zinc/45/92/08/778459208.db2.gz UCZUEZZJYYXMND-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001177139705 778459212 /nfs/dbraw/zinc/45/92/12/778459212.db2.gz UCZUEZZJYYXMND-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001177139705 778459214 /nfs/dbraw/zinc/45/92/14/778459214.db2.gz UCZUEZZJYYXMND-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001177139705 778459217 /nfs/dbraw/zinc/45/92/17/778459217.db2.gz UCZUEZZJYYXMND-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724547 779015997 /nfs/dbraw/zinc/01/59/97/779015997.db2.gz IPLKTQCOAJCNFL-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724547 779016002 /nfs/dbraw/zinc/01/60/02/779016002.db2.gz IPLKTQCOAJCNFL-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001103757243 779033396 /nfs/dbraw/zinc/03/33/96/779033396.db2.gz SLVDOVDDLZWYOR-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103757243 779033404 /nfs/dbraw/zinc/03/34/04/779033404.db2.gz SLVDOVDDLZWYOR-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103757243 779033414 /nfs/dbraw/zinc/03/34/14/779033414.db2.gz SLVDOVDDLZWYOR-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001178736624 779160012 /nfs/dbraw/zinc/16/00/12/779160012.db2.gz ZWFAWPQZYTTXSS-PMPSAXMXSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111869076 779528913 /nfs/dbraw/zinc/52/89/13/779528913.db2.gz WNRWXZZOPYAMJE-JZXOWHBKSA-N 2 1 305.466 1.711 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274660 779689993 /nfs/dbraw/zinc/68/99/93/779689993.db2.gz PITIQDWAHAGIKQ-UHFFFAOYSA-N 2 1 320.437 1.108 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001119310131 781400304 /nfs/dbraw/zinc/40/03/04/781400304.db2.gz WCYCFDHJPWIZHC-OWCLPIDISA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001119310131 781400309 /nfs/dbraw/zinc/40/03/09/781400309.db2.gz WCYCFDHJPWIZHC-OWCLPIDISA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC001119310131 781400314 /nfs/dbraw/zinc/40/03/14/781400314.db2.gz WCYCFDHJPWIZHC-OWCLPIDISA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC001119310131 781400319 /nfs/dbraw/zinc/40/03/19/781400319.db2.gz WCYCFDHJPWIZHC-OWCLPIDISA-N 2 1 304.438 1.010 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170701 781798362 /nfs/dbraw/zinc/79/83/62/781798362.db2.gz QCJWAJKDDBQGRE-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170701 781798370 /nfs/dbraw/zinc/79/83/70/781798370.db2.gz QCJWAJKDDBQGRE-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCC[NH+]1CCN(CCCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001266272072 836022013 /nfs/dbraw/zinc/02/20/13/836022013.db2.gz WWFVDWLMYUEHHR-KRWDZBQOSA-N 2 1 322.497 1.028 20 30 DDEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266453086 836278367 /nfs/dbraw/zinc/27/83/67/836278367.db2.gz XMPBTBDICLCQQS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266453086 836278386 /nfs/dbraw/zinc/27/83/86/836278386.db2.gz XMPBTBDICLCQQS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266453086 836278396 /nfs/dbraw/zinc/27/83/96/836278396.db2.gz XMPBTBDICLCQQS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266453086 836278406 /nfs/dbraw/zinc/27/84/06/836278406.db2.gz XMPBTBDICLCQQS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266456361 836282899 /nfs/dbraw/zinc/28/28/99/836282899.db2.gz VGXTUNVCLBWIOO-FUHWJXTLSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001266472068 836311708 /nfs/dbraw/zinc/31/17/08/836311708.db2.gz BVPPJUSWTUCSHM-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266472068 836311714 /nfs/dbraw/zinc/31/17/14/836311714.db2.gz BVPPJUSWTUCSHM-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266472068 836311725 /nfs/dbraw/zinc/31/17/25/836311725.db2.gz BVPPJUSWTUCSHM-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266472068 836311738 /nfs/dbraw/zinc/31/17/38/836311738.db2.gz BVPPJUSWTUCSHM-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266472068 836311753 /nfs/dbraw/zinc/31/17/53/836311753.db2.gz BVPPJUSWTUCSHM-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266539591 836437958 /nfs/dbraw/zinc/43/79/58/836437958.db2.gz FDFPACMBLUVCNE-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001271898781 844191922 /nfs/dbraw/zinc/19/19/22/844191922.db2.gz WHANQUNMXQMLGP-HDICACEKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267088635 837319744 /nfs/dbraw/zinc/31/97/44/837319744.db2.gz NDYMDHBUEQXMCR-CVEARBPZSA-N 2 1 302.422 1.622 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881385 844355226 /nfs/dbraw/zinc/35/52/26/844355226.db2.gz PWUBYIKKHLOWDS-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881385 844355238 /nfs/dbraw/zinc/35/52/38/844355238.db2.gz PWUBYIKKHLOWDS-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881385 844355247 /nfs/dbraw/zinc/35/52/47/844355247.db2.gz PWUBYIKKHLOWDS-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001267705483 838685665 /nfs/dbraw/zinc/68/56/65/838685665.db2.gz BXGSPANVTACMIM-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267705483 838685672 /nfs/dbraw/zinc/68/56/72/838685672.db2.gz BXGSPANVTACMIM-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001267705483 838685675 /nfs/dbraw/zinc/68/56/75/838685675.db2.gz BXGSPANVTACMIM-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001267705483 838685682 /nfs/dbraw/zinc/68/56/82/838685682.db2.gz BXGSPANVTACMIM-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001268439344 840190240 /nfs/dbraw/zinc/19/02/40/840190240.db2.gz NSXFJTZBYMJFLO-GOSISDBHSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CCCCCC1 ZINC001269616755 841828445 /nfs/dbraw/zinc/82/84/45/841828445.db2.gz RHKCHMWYETXOGI-UHFFFAOYSA-N 2 1 316.449 1.966 20 30 DDEDMP C#CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CCCCCC1 ZINC001269616755 841828457 /nfs/dbraw/zinc/82/84/57/841828457.db2.gz RHKCHMWYETXOGI-UHFFFAOYSA-N 2 1 316.449 1.966 20 30 DDEDMP C#CCC[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001270137559 842327536 /nfs/dbraw/zinc/32/75/36/842327536.db2.gz DLCRVMGVIDTIOH-INIZCTEOSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001270151087 842335991 /nfs/dbraw/zinc/33/59/91/842335991.db2.gz SFHLFVFSIMSONE-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C=CCCCN1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001326655687 861514192 /nfs/dbraw/zinc/51/41/92/861514192.db2.gz PEBOVJIZIOWCAO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C[N@@H+]1CCC[C@@H](C[NH+]2CCC[C@]23CCN(CCCC#N)C3=O)C1 ZINC001273144846 848568207 /nfs/dbraw/zinc/56/82/07/848568207.db2.gz SXAAQMFPMKKMGU-SJLPKXTDSA-N 2 1 318.465 1.699 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCC[C@]23CCN(CCCC#N)C3=O)C1 ZINC001273144846 848568208 /nfs/dbraw/zinc/56/82/08/848568208.db2.gz SXAAQMFPMKKMGU-SJLPKXTDSA-N 2 1 318.465 1.699 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)C1 ZINC001273144846 848568212 /nfs/dbraw/zinc/56/82/12/848568212.db2.gz SXAAQMFPMKKMGU-SJLPKXTDSA-N 2 1 318.465 1.699 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)C1 ZINC001273144846 848568214 /nfs/dbraw/zinc/56/82/14/848568214.db2.gz SXAAQMFPMKKMGU-SJLPKXTDSA-N 2 1 318.465 1.699 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC#CCOC)CC1 ZINC001327163072 861936117 /nfs/dbraw/zinc/93/61/17/861936117.db2.gz NGIONFJJZXNDNV-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451936 862247031 /nfs/dbraw/zinc/24/70/31/862247031.db2.gz CEKFGDVQCWONCH-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451936 862247050 /nfs/dbraw/zinc/24/70/50/862247050.db2.gz CEKFGDVQCWONCH-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@H]21 ZINC001274959266 852717374 /nfs/dbraw/zinc/71/73/74/852717374.db2.gz TWMLVZOGOCCWLL-RCCFBDPRSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001275108746 852813947 /nfs/dbraw/zinc/81/39/47/852813947.db2.gz PCWWEEWHPSBCPM-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275108746 852813951 /nfs/dbraw/zinc/81/39/51/852813951.db2.gz PCWWEEWHPSBCPM-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275108746 852813954 /nfs/dbraw/zinc/81/39/54/852813954.db2.gz PCWWEEWHPSBCPM-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001275184204 852873807 /nfs/dbraw/zinc/87/38/07/852873807.db2.gz MJDLGJGKCRAWPB-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001155791311 862454968 /nfs/dbraw/zinc/45/49/68/862454968.db2.gz VWBLWRQPWNYOTM-INIZCTEOSA-N 2 1 300.406 1.248 20 30 DDEDMP CC#CC[NH2+][C@H](CCN(C)C(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001276122526 854782918 /nfs/dbraw/zinc/78/29/18/854782918.db2.gz FJFDHLMYCDYQTI-QGZVFWFLSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001328098832 862694920 /nfs/dbraw/zinc/69/49/20/862694920.db2.gz QONAHACAYYNSMR-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CC)C2)C1 ZINC001122022286 858664349 /nfs/dbraw/zinc/66/43/49/858664349.db2.gz HNPZOQPXDHFLKZ-UHFFFAOYSA-N 2 1 323.481 1.548 20 30 DDEDMP C#CCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N(C)CC[NH+](CC)CC)C1 ZINC001276980355 881445208 /nfs/dbraw/zinc/44/52/08/881445208.db2.gz WJKQGIUDESSRNB-SJLPKXTDSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203044259 860649796 /nfs/dbraw/zinc/64/97/96/860649796.db2.gz ISTMNXZXZVVJJI-JKSUJKDBSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001328578791 863082557 /nfs/dbraw/zinc/08/25/57/863082557.db2.gz PWOVTTAHPQSRLW-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001328763196 863200786 /nfs/dbraw/zinc/20/07/86/863200786.db2.gz BYJLPJMMJJCALS-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001328763196 863200799 /nfs/dbraw/zinc/20/07/99/863200799.db2.gz BYJLPJMMJJCALS-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC#CC)CC1 ZINC001157092057 863566380 /nfs/dbraw/zinc/56/63/80/863566380.db2.gz HXEQDAODRLCHTG-MRXNPFEDSA-N 2 1 303.450 1.182 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001329693294 863795606 /nfs/dbraw/zinc/79/56/06/863795606.db2.gz HKBYCZHCSMGHOU-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001329693294 863795612 /nfs/dbraw/zinc/79/56/12/863795612.db2.gz HKBYCZHCSMGHOU-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001330399587 864308087 /nfs/dbraw/zinc/30/80/87/864308087.db2.gz AMYLZHCHYHXQJF-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001330399589 864308231 /nfs/dbraw/zinc/30/82/31/864308231.db2.gz AMYLZHCHYHXQJF-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001158419420 864640178 /nfs/dbraw/zinc/64/01/78/864640178.db2.gz OYSVQGFRLJXBIY-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP CCC(=O)On1nc2c(c1NC1=C[NH2+]CCC1)C[NH2+]C2(C)C ZINC001159392692 865270303 /nfs/dbraw/zinc/27/03/03/865270303.db2.gz LCOKEHLVCUDYPM-UHFFFAOYSA-N 2 1 305.382 1.223 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225524730 881884807 /nfs/dbraw/zinc/88/48/07/881884807.db2.gz IWFNWJFOYGKFOC-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225524730 881884828 /nfs/dbraw/zinc/88/48/28/881884828.db2.gz IWFNWJFOYGKFOC-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CCCn3ccnc3C)CCC[C@@H]12 ZINC001332109717 865583122 /nfs/dbraw/zinc/58/31/22/865583122.db2.gz HBAWQUCFBBEPGL-SJLPKXTDSA-N 2 1 314.433 1.718 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001332109717 865583141 /nfs/dbraw/zinc/58/31/41/865583141.db2.gz HBAWQUCFBBEPGL-SJLPKXTDSA-N 2 1 314.433 1.718 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC001332203043 865662445 /nfs/dbraw/zinc/66/24/45/865662445.db2.gz ZWABHNREHGIKIE-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)ns1 ZINC001160209214 865730503 /nfs/dbraw/zinc/73/05/03/865730503.db2.gz DHOVUHNPRBSZIF-HNNXBMFYSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C)ns1 ZINC001160209214 865730510 /nfs/dbraw/zinc/73/05/10/865730510.db2.gz DHOVUHNPRBSZIF-HNNXBMFYSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332389309 865808087 /nfs/dbraw/zinc/80/80/87/865808087.db2.gz YQATZDNFCIMMCE-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160851098 866149973 /nfs/dbraw/zinc/14/99/73/866149973.db2.gz QWFPWYZLKDQQAR-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160851098 866149976 /nfs/dbraw/zinc/14/99/76/866149976.db2.gz QWFPWYZLKDQQAR-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP N#Cc1cnc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)s1 ZINC001161003011 866262743 /nfs/dbraw/zinc/26/27/43/866262743.db2.gz IZBUJLOLEQEXRG-UHFFFAOYSA-N 2 1 315.406 1.344 20 30 DDEDMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001333129969 866444690 /nfs/dbraw/zinc/44/46/90/866444690.db2.gz ZPMUNCCPQJKZJF-OFLPRAFFSA-N 2 1 305.466 1.852 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001323472920 866631316 /nfs/dbraw/zinc/63/13/16/866631316.db2.gz TVSATMSGQUXEMB-HZPDHXFCSA-N 2 1 321.465 1.444 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161722756 866932889 /nfs/dbraw/zinc/93/28/89/866932889.db2.gz FEBHWVWJUFOQHW-UHFFFAOYSA-N 2 1 301.434 1.244 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)(COC)CC1 ZINC001162482447 867568436 /nfs/dbraw/zinc/56/84/36/867568436.db2.gz PEDUPLTUVRNHDX-JKSUJKDBSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531506 869264476 /nfs/dbraw/zinc/26/44/76/869264476.db2.gz LGNDOJVTOYPGOW-CVEARBPZSA-N 2 1 305.466 1.923 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531498 869264522 /nfs/dbraw/zinc/26/45/22/869264522.db2.gz KYBQPDXDPZGOHV-HOTGVXAUSA-N 2 1 303.450 1.370 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699612 870165979 /nfs/dbraw/zinc/16/59/79/870165979.db2.gz SITKBNLNSCMYSV-OAHLLOKOSA-N 2 1 304.438 1.816 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC(C)(C)C1 ZINC001316810800 871922450 /nfs/dbraw/zinc/92/24/50/871922450.db2.gz IVTOEDPTRFTIEH-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001316810800 871922468 /nfs/dbraw/zinc/92/24/68/871922468.db2.gz IVTOEDPTRFTIEH-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001316810800 871922484 /nfs/dbraw/zinc/92/24/84/871922484.db2.gz IVTOEDPTRFTIEH-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc2)c1 ZINC001205953312 871948271 /nfs/dbraw/zinc/94/82/71/871948271.db2.gz SYZNKGDPFUGXOQ-SJLPKXTDSA-N 2 1 308.385 1.514 20 30 DDEDMP N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc2)c1 ZINC001205953312 871948279 /nfs/dbraw/zinc/94/82/79/871948279.db2.gz SYZNKGDPFUGXOQ-SJLPKXTDSA-N 2 1 308.385 1.514 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206282528 872183393 /nfs/dbraw/zinc/18/33/93/872183393.db2.gz UVKQUNUFYRAEDI-RDJZCZTQSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001319534532 872676855 /nfs/dbraw/zinc/67/68/55/872676855.db2.gz PXIIRNSAAJRBLN-DZGCQCFKSA-N 2 1 304.438 1.767 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)CC(C)C ZINC001319619603 872721242 /nfs/dbraw/zinc/72/12/42/872721242.db2.gz LYFUNQQOKMKYET-SJORKVTESA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC1)CC(C)C ZINC001319619603 872721250 /nfs/dbraw/zinc/72/12/50/872721250.db2.gz LYFUNQQOKMKYET-SJORKVTESA-N 2 1 305.466 1.615 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207709557 873493985 /nfs/dbraw/zinc/49/39/85/873493985.db2.gz YNBUKODUJWWGQJ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001207709557 873493986 /nfs/dbraw/zinc/49/39/86/873493986.db2.gz YNBUKODUJWWGQJ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001207709557 873493987 /nfs/dbraw/zinc/49/39/87/873493987.db2.gz YNBUKODUJWWGQJ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001207709557 873493988 /nfs/dbraw/zinc/49/39/88/873493988.db2.gz YNBUKODUJWWGQJ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207734108 873515251 /nfs/dbraw/zinc/51/52/51/873515251.db2.gz COSICOIBMCFWPC-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207734108 873515257 /nfs/dbraw/zinc/51/52/57/873515257.db2.gz COSICOIBMCFWPC-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829613 875140546 /nfs/dbraw/zinc/14/05/46/875140546.db2.gz IGTIIIHBDGIKJR-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315452 875327638 /nfs/dbraw/zinc/32/76/38/875327638.db2.gz QBUPNZIPEVSNQW-BZUAXINKSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001227308363 882965459 /nfs/dbraw/zinc/96/54/59/882965459.db2.gz USWONCZKEKCGSZ-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213596787 875991859 /nfs/dbraw/zinc/99/18/59/875991859.db2.gz KVQNLEQTINUIKG-ARFHVFGLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857172 876082977 /nfs/dbraw/zinc/08/29/77/876082977.db2.gz HBDCMCUNBORRNE-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857172 876082992 /nfs/dbraw/zinc/08/29/92/876082992.db2.gz HBDCMCUNBORRNE-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857172 876083003 /nfs/dbraw/zinc/08/30/03/876083003.db2.gz HBDCMCUNBORRNE-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213972392 876117662 /nfs/dbraw/zinc/11/76/62/876117662.db2.gz QQGBSPONRSMISD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213972392 876117669 /nfs/dbraw/zinc/11/76/69/876117669.db2.gz QQGBSPONRSMISD-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001276727540 876785521 /nfs/dbraw/zinc/78/55/21/876785521.db2.gz PNSHVDIOBCNIOC-NNZMDNLPSA-N 2 1 319.493 1.979 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001379485988 877184082 /nfs/dbraw/zinc/18/40/82/877184082.db2.gz WLNHQESTLMISKS-ZIAGYGMSSA-N 2 1 317.861 1.069 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001379485988 877184094 /nfs/dbraw/zinc/18/40/94/877184094.db2.gz WLNHQESTLMISKS-ZIAGYGMSSA-N 2 1 317.861 1.069 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379516418 877273449 /nfs/dbraw/zinc/27/34/49/877273449.db2.gz MRVPAZJHMFYBAI-LBPRGKRZSA-N 2 1 320.462 1.698 20 30 DDEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCOCC1 ZINC001380507332 879805057 /nfs/dbraw/zinc/80/50/57/879805057.db2.gz VSMIGEWCTDKYNV-UHFFFAOYSA-N 2 1 317.861 1.336 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001223508075 880984914 /nfs/dbraw/zinc/98/49/14/880984914.db2.gz ZIOSOBJDGFUIGW-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCC)CC1 ZINC001227848738 883199374 /nfs/dbraw/zinc/19/93/74/883199374.db2.gz BRQMBHHZXBRFQY-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCC)CC1 ZINC001227848738 883199387 /nfs/dbraw/zinc/19/93/87/883199387.db2.gz BRQMBHHZXBRFQY-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277913948 888298266 /nfs/dbraw/zinc/29/82/66/888298266.db2.gz KFTBVYMAKQMJAM-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278388302 891917944 /nfs/dbraw/zinc/91/79/44/891917944.db2.gz JKQMWDYXIZVHKV-SJLPKXTDSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278388302 891917952 /nfs/dbraw/zinc/91/79/52/891917952.db2.gz JKQMWDYXIZVHKV-SJLPKXTDSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278388302 891917961 /nfs/dbraw/zinc/91/79/61/891917961.db2.gz JKQMWDYXIZVHKV-SJLPKXTDSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001278388302 891917971 /nfs/dbraw/zinc/91/79/71/891917971.db2.gz JKQMWDYXIZVHKV-SJLPKXTDSA-N 2 1 321.465 1.090 20 30 DDEDMP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001246545262 892688539 /nfs/dbraw/zinc/68/85/39/892688539.db2.gz VLVPZOXUVYBCEG-CXAGYDPISA-N 2 1 312.417 1.584 20 30 DDEDMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001246545262 892688546 /nfs/dbraw/zinc/68/85/46/892688546.db2.gz VLVPZOXUVYBCEG-CXAGYDPISA-N 2 1 312.417 1.584 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001366345801 893248725 /nfs/dbraw/zinc/24/87/25/893248725.db2.gz MCRCZZSSSUYSRA-NEPJUHHUSA-N 2 1 318.259 1.331 20 30 DDEDMP Cc1cc(-c2noc([C@@H]([NH3+])CCCNC(N)=[NH2+])n2)ccc1C#N ZINC001248639542 893665200 /nfs/dbraw/zinc/66/52/00/893665200.db2.gz XEIRPIKTKRRLAU-LBPRGKRZSA-N 2 1 313.365 1.180 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001366518722 893827621 /nfs/dbraw/zinc/82/76/21/893827621.db2.gz JZLCRPWUQPKOTE-INIZCTEOSA-N 2 1 300.406 1.200 20 30 DDEDMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001366518722 893827636 /nfs/dbraw/zinc/82/76/36/893827636.db2.gz JZLCRPWUQPKOTE-INIZCTEOSA-N 2 1 300.406 1.200 20 30 DDEDMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001366518722 893827654 /nfs/dbraw/zinc/82/76/54/893827654.db2.gz JZLCRPWUQPKOTE-INIZCTEOSA-N 2 1 300.406 1.200 20 30 DDEDMP C#CCOC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001251852008 894847067 /nfs/dbraw/zinc/84/70/67/894847067.db2.gz YADPQSCYNJTNSR-RBUKOAKNSA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001251852008 894847074 /nfs/dbraw/zinc/84/70/74/894847074.db2.gz YADPQSCYNJTNSR-RBUKOAKNSA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001251852008 894847091 /nfs/dbraw/zinc/84/70/91/894847091.db2.gz YADPQSCYNJTNSR-RBUKOAKNSA-N 2 1 316.445 1.451 20 30 DDEDMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367837348 897971103 /nfs/dbraw/zinc/97/11/03/897971103.db2.gz QKWNIZAURHCZQF-PBHICJAKSA-N 2 1 316.449 1.835 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC001263183166 900524539 /nfs/dbraw/zinc/52/45/39/900524539.db2.gz KZDDANSMXMDCPD-KRWDZBQOSA-N 2 1 312.417 1.132 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC001263183166 900524557 /nfs/dbraw/zinc/52/45/57/900524557.db2.gz KZDDANSMXMDCPD-KRWDZBQOSA-N 2 1 312.417 1.132 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001265235882 901759266 /nfs/dbraw/zinc/75/92/66/901759266.db2.gz YJGYDZPZRBVQNU-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001265262469 901783982 /nfs/dbraw/zinc/78/39/82/901783982.db2.gz BZHBIQZWQPGUFW-IRXDYDNUSA-N 2 1 322.497 1.027 20 30 DDEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001265262894 901784740 /nfs/dbraw/zinc/78/47/40/901784740.db2.gz MARCNUOQXUTJRQ-KRWDZBQOSA-N 2 1 322.497 1.171 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001265676016 902288503 /nfs/dbraw/zinc/28/85/03/902288503.db2.gz ULTHOMKVVZMJPK-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001265786547 902407809 /nfs/dbraw/zinc/40/78/09/902407809.db2.gz PJQSDSQMUKNHIK-WMZOPIPTSA-N 2 1 313.445 1.687 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC001265786547 902407817 /nfs/dbraw/zinc/40/78/17/902407817.db2.gz PJQSDSQMUKNHIK-WMZOPIPTSA-N 2 1 313.445 1.687 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOC(C)C)C1 ZINC001265912671 902583930 /nfs/dbraw/zinc/58/39/30/902583930.db2.gz JFSSNGWKSCTHQC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCOC(C)C)C1 ZINC001265912671 902583934 /nfs/dbraw/zinc/58/39/34/902583934.db2.gz JFSSNGWKSCTHQC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH2+]CCc1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001266088018 902915508 /nfs/dbraw/zinc/91/55/08/902915508.db2.gz JKTMWNVYQLBUBD-UHFFFAOYSA-N 2 1 324.428 1.663 20 30 DDEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001279454288 903262818 /nfs/dbraw/zinc/26/28/18/903262818.db2.gz ZZJQPMQYPQHTAT-KRWDZBQOSA-N 2 1 322.497 1.217 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cc(C#N)ccc1F ZINC001371145700 904348598 /nfs/dbraw/zinc/34/85/98/904348598.db2.gz XLWQFUOSIVYIPE-LRDDRELGSA-N 2 1 318.396 1.386 20 30 DDEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001281489304 904930646 /nfs/dbraw/zinc/93/06/46/904930646.db2.gz CTSVBFCDRHKCID-INIZCTEOSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001393412575 906916980 /nfs/dbraw/zinc/91/69/80/906916980.db2.gz IDTDWDOSFIDJKA-GASCZTMLSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001393412575 906916995 /nfs/dbraw/zinc/91/69/95/906916995.db2.gz IDTDWDOSFIDJKA-GASCZTMLSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001393412575 906917006 /nfs/dbraw/zinc/91/70/06/906917006.db2.gz IDTDWDOSFIDJKA-GASCZTMLSA-N 2 1 313.873 1.861 20 30 DDEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001283754174 907905862 /nfs/dbraw/zinc/90/58/62/907905862.db2.gz AZRGIVHGMQHDRB-HOTGVXAUSA-N 2 1 323.481 1.284 20 30 DDEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001284790296 909498229 /nfs/dbraw/zinc/49/82/29/909498229.db2.gz RAGVYLAYRCORLJ-QQFBHYJXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001375252377 915385030 /nfs/dbraw/zinc/38/50/30/915385030.db2.gz OOCIKMYFONNUHL-QEJZJMRPSA-N 2 1 313.873 1.954 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079917718 353582453 /nfs/dbraw/zinc/58/24/53/353582453.db2.gz OCRDNBJIMWZTEN-RDJZCZTQSA-N 2 1 318.465 1.633 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)C#N)CC2)CC1 ZINC000594341459 356177231 /nfs/dbraw/zinc/17/72/31/356177231.db2.gz MXVFOHBJIBRZLS-UHFFFAOYSA-N 2 1 320.481 1.849 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594445718 356219129 /nfs/dbraw/zinc/21/91/29/356219129.db2.gz KOCGTZGJPKYEIP-IRXDYDNUSA-N 2 1 314.433 1.788 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594445716 356219315 /nfs/dbraw/zinc/21/93/15/356219315.db2.gz KOCGTZGJPKYEIP-DLBZAZTESA-N 2 1 314.433 1.788 20 30 DDEDMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H](C)C#N ZINC000598364020 357552046 /nfs/dbraw/zinc/55/20/46/357552046.db2.gz YYFDAYOWTZZECK-OAHLLOKOSA-N 2 1 320.481 1.943 20 30 DDEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306761 357886507 /nfs/dbraw/zinc/88/65/07/357886507.db2.gz DGWGQTXPBXOWCS-DLBZAZTESA-N 2 1 323.481 1.721 20 30 DDEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306761 357886513 /nfs/dbraw/zinc/88/65/13/357886513.db2.gz DGWGQTXPBXOWCS-DLBZAZTESA-N 2 1 323.481 1.721 20 30 DDEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306761 357886517 /nfs/dbraw/zinc/88/65/17/357886517.db2.gz DGWGQTXPBXOWCS-DLBZAZTESA-N 2 1 323.481 1.721 20 30 DDEDMP N#CC1(C[C@@H](O)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000600719048 358294031 /nfs/dbraw/zinc/29/40/31/358294031.db2.gz BGHTZMZRXZKLSL-OAHLLOKOSA-N 2 1 307.438 1.276 20 30 DDEDMP C[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C1=CC[N@@H+](C)CC1 ZINC000600733816 358301100 /nfs/dbraw/zinc/30/11/00/358301100.db2.gz FLNYPFUOPJVQRZ-YOEHRIQHSA-N 2 1 315.417 1.538 20 30 DDEDMP N#Cc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)o1 ZINC000600769841 358311372 /nfs/dbraw/zinc/31/13/72/358311372.db2.gz SNPHHFCHINMLPX-LBPRGKRZSA-N 2 1 302.300 1.077 20 30 DDEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000609133459 360263662 /nfs/dbraw/zinc/26/36/62/360263662.db2.gz JXPIOLHTYMWHOT-HNNXBMFYSA-N 2 1 308.470 1.799 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000609600348 360331742 /nfs/dbraw/zinc/33/17/42/360331742.db2.gz KCJZURCKGAYAEL-IAGOWNOFSA-N 2 1 317.433 1.376 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000609600348 360331747 /nfs/dbraw/zinc/33/17/47/360331747.db2.gz KCJZURCKGAYAEL-IAGOWNOFSA-N 2 1 317.433 1.376 20 30 DDEDMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1C#N ZINC000281573886 216393056 /nfs/dbraw/zinc/39/30/56/216393056.db2.gz CSMQXZPKCPXAFK-KRWDZBQOSA-N 2 1 317.433 1.893 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1nc(C)cs1 ZINC000273551219 408242900 /nfs/dbraw/zinc/24/29/00/408242900.db2.gz YWUUUMAXWJYCRJ-AAEUAGOBSA-N 2 1 309.483 1.944 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1C#N ZINC000191123990 408374468 /nfs/dbraw/zinc/37/44/68/408374468.db2.gz RMMHHXDRQLVJOS-CQSZACIVSA-N 2 1 302.422 1.487 20 30 DDEDMP CN(CCC[N@@H+](C)CCOc1ccc(C#N)cc1)CC[NH+](C)C ZINC000289367641 409255490 /nfs/dbraw/zinc/25/54/90/409255490.db2.gz HZASPYGRNBJZPF-UHFFFAOYSA-N 2 1 318.465 1.752 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000294992965 409307739 /nfs/dbraw/zinc/30/77/39/409307739.db2.gz LNGZBULGSGUJQX-AWEZNQCLSA-N 2 1 323.462 1.200 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000294992965 409307743 /nfs/dbraw/zinc/30/77/43/409307743.db2.gz LNGZBULGSGUJQX-AWEZNQCLSA-N 2 1 323.462 1.200 20 30 DDEDMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC#CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000342122613 409565166 /nfs/dbraw/zinc/56/51/66/409565166.db2.gz GMXXOQQCMLWZNV-FDPKGLCPSA-N 2 1 308.466 1.457 20 30 DDEDMP CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442023 409963623 /nfs/dbraw/zinc/96/36/23/409963623.db2.gz ZELQPXDRUZPWOW-LSDHHAIUSA-N 2 1 306.454 1.601 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000357652288 410163872 /nfs/dbraw/zinc/16/38/72/410163872.db2.gz LMUIFKZTAYAWBT-HZPDHXFCSA-N 2 1 312.498 1.667 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249536993 222240453 /nfs/dbraw/zinc/24/04/53/222240453.db2.gz CSELCKJJVFYQDD-MOPGFXCFSA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@@H](O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249536993 222240455 /nfs/dbraw/zinc/24/04/55/222240455.db2.gz CSELCKJJVFYQDD-MOPGFXCFSA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@@H](O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249536993 222240458 /nfs/dbraw/zinc/24/04/58/222240458.db2.gz CSELCKJJVFYQDD-MOPGFXCFSA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@@H](O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249536993 222240460 /nfs/dbraw/zinc/24/04/60/222240460.db2.gz CSELCKJJVFYQDD-MOPGFXCFSA-N 2 1 318.461 1.882 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261851693 222260295 /nfs/dbraw/zinc/26/02/95/222260295.db2.gz XJWNHEDBSTXDPN-GJZGRUSLSA-N 2 1 308.470 1.262 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(C)cc1 ZINC000264135458 222323395 /nfs/dbraw/zinc/32/33/95/222323395.db2.gz ZPATZHJZKXCALZ-CVEARBPZSA-N 2 1 304.438 1.417 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccsc1 ZINC000267436202 222385213 /nfs/dbraw/zinc/38/52/13/222385213.db2.gz NWRSYKDFPDUANZ-HIFRSBDPSA-N 2 1 310.467 1.344 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362105391 418748733 /nfs/dbraw/zinc/74/87/33/418748733.db2.gz HGJVPNCUCZDJBH-CABCVRRESA-N 2 1 303.450 1.321 20 30 DDEDMP C[NH2+]C[C@H](C)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423279130 420001318 /nfs/dbraw/zinc/00/13/18/420001318.db2.gz SEEVNFVZFFKSOL-HNNXBMFYSA-N 2 1 300.450 1.968 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000491748706 421202396 /nfs/dbraw/zinc/20/23/96/421202396.db2.gz YJKYRSYRSFKBOZ-KRWDZBQOSA-N 2 1 306.454 1.069 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000491748706 421202398 /nfs/dbraw/zinc/20/23/98/421202398.db2.gz YJKYRSYRSFKBOZ-KRWDZBQOSA-N 2 1 306.454 1.069 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000491748706 421202400 /nfs/dbraw/zinc/20/24/00/421202400.db2.gz YJKYRSYRSFKBOZ-KRWDZBQOSA-N 2 1 306.454 1.069 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563151762 421464835 /nfs/dbraw/zinc/46/48/35/421464835.db2.gz WQGJAXJOSUDZNX-UHFFFAOYSA-N 2 1 309.377 1.628 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563151762 421464837 /nfs/dbraw/zinc/46/48/37/421464837.db2.gz WQGJAXJOSUDZNX-UHFFFAOYSA-N 2 1 309.377 1.628 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(C)c2)CC1 ZINC000573676712 421999409 /nfs/dbraw/zinc/99/94/09/421999409.db2.gz NWUAUBWNMCXVHR-KRWDZBQOSA-N 2 1 304.434 1.975 20 30 DDEDMP C=CCC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720965 422587578 /nfs/dbraw/zinc/58/75/78/422587578.db2.gz RGMYPEOIDNKFNY-MSOLQXFVSA-N 2 1 304.434 1.540 20 30 DDEDMP C=CCC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720965 422587584 /nfs/dbraw/zinc/58/75/84/422587584.db2.gz RGMYPEOIDNKFNY-MSOLQXFVSA-N 2 1 304.434 1.540 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000664020065 424344337 /nfs/dbraw/zinc/34/43/37/424344337.db2.gz QCDMSOCDPCNDHA-MRXNPFEDSA-N 2 1 308.470 1.763 20 30 DDEDMP CC1(C)C[NH+](CC#CC[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC[C@H]1O ZINC000342161618 276131140 /nfs/dbraw/zinc/13/11/40/276131140.db2.gz JHVZVFYOZXWMGJ-HZPDHXFCSA-N 2 1 308.466 1.175 20 30 DDEDMP CC1(C)C[NH+](CC#CC[N@H+]2CC[C@@H](O)C(C)(C)C2)CC[C@H]1O ZINC000342161618 276131142 /nfs/dbraw/zinc/13/11/42/276131142.db2.gz JHVZVFYOZXWMGJ-HZPDHXFCSA-N 2 1 308.466 1.175 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000491642198 526804744 /nfs/dbraw/zinc/80/47/44/526804744.db2.gz ACLFWSXDBZWVMW-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347062706 526931762 /nfs/dbraw/zinc/93/17/62/526931762.db2.gz BXFQVCSOHKCDLL-INIZCTEOSA-N 2 1 317.433 1.538 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980211614 696709030 /nfs/dbraw/zinc/70/90/30/696709030.db2.gz GWPYQKHCWKIDBH-ULQDDVLXSA-N 2 1 315.461 1.322 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980236322 696715331 /nfs/dbraw/zinc/71/53/31/696715331.db2.gz DFTYUGHVHTWHAS-GVDBMIGSSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC000980274199 696725247 /nfs/dbraw/zinc/72/52/47/696725247.db2.gz MZADIVZKRXCSHS-ARFHVFGLSA-N 2 1 300.406 1.123 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681581 695061448 /nfs/dbraw/zinc/06/14/48/695061448.db2.gz FFNYYNYRKIUBNI-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681581 695061450 /nfs/dbraw/zinc/06/14/50/695061450.db2.gz FFNYYNYRKIUBNI-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681581 695061454 /nfs/dbraw/zinc/06/14/54/695061454.db2.gz FFNYYNYRKIUBNI-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437788 695251266 /nfs/dbraw/zinc/25/12/66/695251266.db2.gz KTORYOCZGNQQRE-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437788 695251267 /nfs/dbraw/zinc/25/12/67/695251267.db2.gz KTORYOCZGNQQRE-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972437788 695251268 /nfs/dbraw/zinc/25/12/68/695251268.db2.gz KTORYOCZGNQQRE-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972437788 695251269 /nfs/dbraw/zinc/25/12/69/695251269.db2.gz KTORYOCZGNQQRE-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972700064 695318806 /nfs/dbraw/zinc/31/88/06/695318806.db2.gz CLPXOYFJKKJGHH-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972700064 695318810 /nfs/dbraw/zinc/31/88/10/695318810.db2.gz CLPXOYFJKKJGHH-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972700064 695318812 /nfs/dbraw/zinc/31/88/12/695318812.db2.gz CLPXOYFJKKJGHH-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974655185 695705362 /nfs/dbraw/zinc/70/53/62/695705362.db2.gz JFJMGGJQSFEUQG-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974655185 695705363 /nfs/dbraw/zinc/70/53/63/695705363.db2.gz JFJMGGJQSFEUQG-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974655185 695705366 /nfs/dbraw/zinc/70/53/66/695705366.db2.gz JFJMGGJQSFEUQG-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974655185 695705368 /nfs/dbraw/zinc/70/53/68/695705368.db2.gz JFJMGGJQSFEUQG-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974862358 695749318 /nfs/dbraw/zinc/74/93/18/695749318.db2.gz JTQGJTFDTYNQGS-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956656 695766869 /nfs/dbraw/zinc/76/68/69/695766869.db2.gz QXOIVXQDRJKOBP-GDBMZVCRSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956656 695766871 /nfs/dbraw/zinc/76/68/71/695766871.db2.gz QXOIVXQDRJKOBP-GDBMZVCRSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978187104 696338458 /nfs/dbraw/zinc/33/84/58/696338458.db2.gz YJNKRQCTNYHCLB-RYPNDVFKSA-N 2 1 311.857 1.373 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978187104 696338460 /nfs/dbraw/zinc/33/84/60/696338460.db2.gz YJNKRQCTNYHCLB-RYPNDVFKSA-N 2 1 311.857 1.373 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978187104 696338461 /nfs/dbraw/zinc/33/84/61/696338461.db2.gz YJNKRQCTNYHCLB-RYPNDVFKSA-N 2 1 311.857 1.373 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978474985 696388612 /nfs/dbraw/zinc/38/86/12/696388612.db2.gz YMHBMTOMAFMTHD-OSYLJGHBSA-N 2 1 310.401 1.818 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000085123684 696562624 /nfs/dbraw/zinc/56/26/24/696562624.db2.gz WEYXEFRTIKVUMB-CQSZACIVSA-N 2 1 308.470 1.473 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000085123684 696562627 /nfs/dbraw/zinc/56/26/27/696562627.db2.gz WEYXEFRTIKVUMB-CQSZACIVSA-N 2 1 308.470 1.473 20 30 DDEDMP C#CCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000113336921 696656763 /nfs/dbraw/zinc/65/67/63/696656763.db2.gz XFTJWQYNFIFAQT-UHFFFAOYSA-N 2 1 315.461 1.816 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833531 696936552 /nfs/dbraw/zinc/93/65/52/696936552.db2.gz FTEOUIDUWHEFCA-INIZCTEOSA-N 2 1 314.433 1.312 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833531 696936554 /nfs/dbraw/zinc/93/65/54/696936554.db2.gz FTEOUIDUWHEFCA-INIZCTEOSA-N 2 1 314.433 1.312 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981153397 697019881 /nfs/dbraw/zinc/01/98/81/697019881.db2.gz YUJAZKVYSNQBCP-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153397 697019884 /nfs/dbraw/zinc/01/98/84/697019884.db2.gz YUJAZKVYSNQBCP-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981153397 697019887 /nfs/dbraw/zinc/01/98/87/697019887.db2.gz YUJAZKVYSNQBCP-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982161224 697045505 /nfs/dbraw/zinc/04/55/05/697045505.db2.gz KJCFFTUYVBXPSL-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982161224 697045508 /nfs/dbraw/zinc/04/55/08/697045508.db2.gz KJCFFTUYVBXPSL-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982161224 697045511 /nfs/dbraw/zinc/04/55/11/697045511.db2.gz KJCFFTUYVBXPSL-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000981482799 697107988 /nfs/dbraw/zinc/10/79/88/697107988.db2.gz CEJUOTNRKBLNLN-OAHLLOKOSA-N 2 1 302.422 1.556 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552615 697149173 /nfs/dbraw/zinc/14/91/73/697149173.db2.gz AJMMEARMULHTAP-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552615 697149174 /nfs/dbraw/zinc/14/91/74/697149174.db2.gz AJMMEARMULHTAP-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982552615 697149175 /nfs/dbraw/zinc/14/91/75/697149175.db2.gz AJMMEARMULHTAP-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982735672 697174433 /nfs/dbraw/zinc/17/44/33/697174433.db2.gz KDFVPEJMVKXWBY-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735672 697174434 /nfs/dbraw/zinc/17/44/34/697174434.db2.gz KDFVPEJMVKXWBY-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982735672 697174435 /nfs/dbraw/zinc/17/44/35/697174435.db2.gz KDFVPEJMVKXWBY-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cncn3C)C[C@@]2(C)C1 ZINC000982735673 697174450 /nfs/dbraw/zinc/17/44/50/697174450.db2.gz KDIPGRHWMNNQOG-HDICACEKSA-N 2 1 316.449 1.709 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982831219 697183448 /nfs/dbraw/zinc/18/34/48/697183448.db2.gz JFSSVJLEZCKTLO-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982831219 697183449 /nfs/dbraw/zinc/18/34/49/697183449.db2.gz JFSSVJLEZCKTLO-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982831219 697183450 /nfs/dbraw/zinc/18/34/50/697183450.db2.gz JFSSVJLEZCKTLO-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000985442198 697511561 /nfs/dbraw/zinc/51/15/61/697511561.db2.gz DBWFDJZQFYDUON-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442198 697511562 /nfs/dbraw/zinc/51/15/62/697511562.db2.gz DBWFDJZQFYDUON-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442198 697511564 /nfs/dbraw/zinc/51/15/64/697511564.db2.gz DBWFDJZQFYDUON-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985652682 697550347 /nfs/dbraw/zinc/55/03/47/697550347.db2.gz GTDVOPBVTOGSOG-HNNXBMFYSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985652682 697550348 /nfs/dbraw/zinc/55/03/48/697550348.db2.gz GTDVOPBVTOGSOG-HNNXBMFYSA-N 2 1 316.449 1.863 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCO[C@@H]1CCCC[C@H]1C ZINC000245879477 698339578 /nfs/dbraw/zinc/33/95/78/698339578.db2.gz ABAKASINDBWDLE-BZUAXINKSA-N 2 1 310.486 1.970 20 30 DDEDMP C[NH+](C)[C@@H](CNC(=[NH2+])N1CCSCC1)Cc1ccccc1 ZINC000303789766 698607138 /nfs/dbraw/zinc/60/71/38/698607138.db2.gz VSKMFIIMSLYICP-OAHLLOKOSA-N 2 1 306.479 1.523 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1 ZINC000305632968 698646692 /nfs/dbraw/zinc/64/66/92/698646692.db2.gz ABUHYXAEFQPNMM-DOTOQJQBSA-N 2 1 322.428 1.422 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991862018 699426324 /nfs/dbraw/zinc/42/63/24/699426324.db2.gz OFQYGQKGBCVVEZ-DOTOQJQBSA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991862018 699426326 /nfs/dbraw/zinc/42/63/26/699426326.db2.gz OFQYGQKGBCVVEZ-DOTOQJQBSA-N 2 1 302.422 1.881 20 30 DDEDMP C#CCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843431897 702880373 /nfs/dbraw/zinc/88/03/73/702880373.db2.gz MXNLZSCSTKCDSR-UHFFFAOYSA-N 2 1 314.429 1.995 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000843431897 702880376 /nfs/dbraw/zinc/88/03/76/702880376.db2.gz MXNLZSCSTKCDSR-UHFFFAOYSA-N 2 1 314.429 1.995 20 30 DDEDMP CC1(C)C[C@@H](O)C[NH+](CC#CC[N@@H+]2C[C@H](O)CC(C)(C)C2)C1 ZINC000879623469 706742137 /nfs/dbraw/zinc/74/21/37/706742137.db2.gz WKLDLEDKYRFDGM-HZPDHXFCSA-N 2 1 308.466 1.175 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000847415656 703415608 /nfs/dbraw/zinc/41/56/08/703415608.db2.gz CKQDJQMCROJAOW-UHFFFAOYSA-N 2 1 313.445 1.572 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000870269519 703980579 /nfs/dbraw/zinc/98/05/79/703980579.db2.gz GELMBGURKYPKPX-KRWDZBQOSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000870269519 703980582 /nfs/dbraw/zinc/98/05/82/703980582.db2.gz GELMBGURKYPKPX-KRWDZBQOSA-N 2 1 317.477 1.951 20 30 DDEDMP CC[N@@H+]1CCc2nc(NC(=O)C#CC3CC[NH2+]CC3)sc2C1 ZINC000852854744 704149278 /nfs/dbraw/zinc/14/92/78/704149278.db2.gz OLQKQWMKDAACPV-UHFFFAOYSA-N 2 1 318.446 1.463 20 30 DDEDMP CC[N@H+]1CCc2nc(NC(=O)C#CC3CC[NH2+]CC3)sc2C1 ZINC000852854744 704149280 /nfs/dbraw/zinc/14/92/80/704149280.db2.gz OLQKQWMKDAACPV-UHFFFAOYSA-N 2 1 318.446 1.463 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876729785 705844052 /nfs/dbraw/zinc/84/40/52/705844052.db2.gz XFKLRARDZVTRAP-BZSNNMDCSA-N 2 1 324.428 1.488 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876729785 705844054 /nfs/dbraw/zinc/84/40/54/705844054.db2.gz XFKLRARDZVTRAP-BZSNNMDCSA-N 2 1 324.428 1.488 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000876733656 705846696 /nfs/dbraw/zinc/84/66/96/705846696.db2.gz DTWGWKQXEINVPT-CYBMUJFWSA-N 2 1 319.796 1.662 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+](C)C1CC1 ZINC000876750602 705856625 /nfs/dbraw/zinc/85/66/25/705856625.db2.gz IVWDOJDFQBXUCK-YVEFUNNKSA-N 2 1 312.417 1.344 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000880609861 707039356 /nfs/dbraw/zinc/03/93/56/707039356.db2.gz UZXPRGVKESHBHU-UHFFFAOYSA-N 2 1 303.410 1.920 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000884087147 708132953 /nfs/dbraw/zinc/13/29/53/708132953.db2.gz UKNATJZFYMPXIO-INIZCTEOSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000884087147 708132954 /nfs/dbraw/zinc/13/29/54/708132954.db2.gz UKNATJZFYMPXIO-INIZCTEOSA-N 2 1 320.481 1.646 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884179912 708174775 /nfs/dbraw/zinc/17/47/75/708174775.db2.gz FXWPVYNTOJMTLR-CTMQZQKCSA-N 2 1 318.465 1.506 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCCCCN1CC[NH+](CC)CC1 ZINC000900689558 709713350 /nfs/dbraw/zinc/71/33/50/709713350.db2.gz UPJMYAZDNGJNFJ-UHFFFAOYSA-N 2 1 310.486 1.028 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC000910868470 710100150 /nfs/dbraw/zinc/10/01/50/710100150.db2.gz IKWRGJSNOTUUBL-UHFFFAOYSA-N 2 1 311.470 1.046 20 30 DDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(C#N)ccn2)C1 ZINC000902727349 710880781 /nfs/dbraw/zinc/88/07/81/710880781.db2.gz WJMLVWKJTSZYTG-AWEZNQCLSA-N 2 1 303.366 1.061 20 30 DDEDMP CCC[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912509430 711358060 /nfs/dbraw/zinc/35/80/60/711358060.db2.gz FNIRXRCAOKZNKW-HNNXBMFYSA-N 2 1 311.518 1.614 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000914219421 713361409 /nfs/dbraw/zinc/36/14/09/713361409.db2.gz UMOKETMYCFUKDI-HOTGVXAUSA-N 2 1 304.438 1.010 20 30 DDEDMP C#C[C@H]1CCC[N@H+]([C@@H](C)CNC(=O)CN2CCC[C@@H](C#C)C2)C1 ZINC000930886125 713950043 /nfs/dbraw/zinc/95/00/43/713950043.db2.gz RDXIUOJJOPLSMP-KSZLIROESA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@H]1CCC[NH+]([C@@H](C)CNC(=O)C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886125 713950044 /nfs/dbraw/zinc/95/00/44/713950044.db2.gz RDXIUOJJOPLSMP-KSZLIROESA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@H]1CCC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886125 713950046 /nfs/dbraw/zinc/95/00/46/713950046.db2.gz RDXIUOJJOPLSMP-KSZLIROESA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@H]1CCC[N@@H+]([C@@H](C)CNC(=O)C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000930886125 713950047 /nfs/dbraw/zinc/95/00/47/713950047.db2.gz RDXIUOJJOPLSMP-KSZLIROESA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@H]1CCC[N@H+]([C@@H](C)CNC(=O)C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000930886125 713950049 /nfs/dbraw/zinc/95/00/49/713950049.db2.gz RDXIUOJJOPLSMP-KSZLIROESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000963903024 717941842 /nfs/dbraw/zinc/94/18/42/717941842.db2.gz VNFUFRHLTQSYOP-UHFFFAOYSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCF)C2 ZINC000963960881 717955591 /nfs/dbraw/zinc/95/55/91/717955591.db2.gz KQHUNXFEGLJRMP-LETWWHAPSA-N 2 1 307.413 1.071 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCF)C2 ZINC000963960881 717955597 /nfs/dbraw/zinc/95/55/97/717955597.db2.gz KQHUNXFEGLJRMP-LETWWHAPSA-N 2 1 307.413 1.071 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=C)C)C2 ZINC000963962065 717956219 /nfs/dbraw/zinc/95/62/19/717956219.db2.gz YFSDMKCQEWMNJU-RFSHTEQGSA-N 2 1 315.461 1.677 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(=C)C)C2 ZINC000963962065 717956222 /nfs/dbraw/zinc/95/62/22/717956222.db2.gz YFSDMKCQEWMNJU-RFSHTEQGSA-N 2 1 315.461 1.677 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000923328369 714316016 /nfs/dbraw/zinc/31/60/16/714316016.db2.gz SHYGBWJASWONOA-MRXNPFEDSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801729 716967414 /nfs/dbraw/zinc/96/74/14/716967414.db2.gz YJCLPFKOGWKFJJ-GJZGRUSLSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801729 716967417 /nfs/dbraw/zinc/96/74/17/716967417.db2.gz YJCLPFKOGWKFJJ-GJZGRUSLSA-N 2 1 314.433 1.610 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980143 717059372 /nfs/dbraw/zinc/05/93/72/717059372.db2.gz OIDRKEDRTZOTCR-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980143 717059378 /nfs/dbraw/zinc/05/93/78/717059378.db2.gz OIDRKEDRTZOTCR-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980143 717059383 /nfs/dbraw/zinc/05/93/83/717059383.db2.gz OIDRKEDRTZOTCR-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101606 717480504 /nfs/dbraw/zinc/48/05/04/717480504.db2.gz RNSCGILZHQQHGY-DZGCQCFKSA-N 2 1 319.474 1.883 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C[NH+](C)C ZINC000962780024 717586267 /nfs/dbraw/zinc/58/62/67/717586267.db2.gz RUJMESOUQZKFMI-PIIMJCKOSA-N 2 1 313.445 1.984 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943287918 718067309 /nfs/dbraw/zinc/06/73/09/718067309.db2.gz LKLFIFZPKFUGBY-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000945177739 718414752 /nfs/dbraw/zinc/41/47/52/718414752.db2.gz CDBDXDUQFZTUIG-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623889 718856536 /nfs/dbraw/zinc/85/65/36/718856536.db2.gz SCWOWSODGMYDQP-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)C[C@@H]1C ZINC000947333481 719125256 /nfs/dbraw/zinc/12/52/56/719125256.db2.gz FNXFQBQELPAINS-LSDHHAIUSA-N 2 1 314.433 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C[C@H]1C ZINC000947771212 719265404 /nfs/dbraw/zinc/26/54/04/719265404.db2.gz IHUQFRQYKNWIHK-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771212 719265406 /nfs/dbraw/zinc/26/54/06/719265406.db2.gz IHUQFRQYKNWIHK-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771212 719265409 /nfs/dbraw/zinc/26/54/09/719265409.db2.gz IHUQFRQYKNWIHK-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)[C@H](C)C2)CC1 ZINC000948069420 719348837 /nfs/dbraw/zinc/34/88/37/719348837.db2.gz HNGFTEIQHKSXRC-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCF)[C@@H](C)C2)CC1 ZINC000948069282 719349111 /nfs/dbraw/zinc/34/91/11/719349111.db2.gz FJAVTQHYTOJUEU-GOEBONIOSA-N 2 1 309.429 1.270 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948373629 719472679 /nfs/dbraw/zinc/47/26/79/719472679.db2.gz NEKJQHCZWCEHGD-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378036 719474456 /nfs/dbraw/zinc/47/44/56/719474456.db2.gz PLJLWZXCESJXFX-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593338 719568962 /nfs/dbraw/zinc/56/89/62/719568962.db2.gz DBLXQRJABVMJCM-INIZCTEOSA-N 2 1 310.401 1.894 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548602 719659219 /nfs/dbraw/zinc/65/92/19/719659219.db2.gz HPZMVXXJMBQJQX-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887733 719845845 /nfs/dbraw/zinc/84/58/45/719845845.db2.gz KTMMUSJFZUVBDK-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887733 719845851 /nfs/dbraw/zinc/84/58/51/719845851.db2.gz KTMMUSJFZUVBDK-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC000968925503 719875290 /nfs/dbraw/zinc/87/52/90/719875290.db2.gz FPWDPPLHBXCLGM-HZPDHXFCSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC000968954242 719895597 /nfs/dbraw/zinc/89/55/97/719895597.db2.gz FTSCAKKLZIKHLY-BACDZXNISA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC000968954242 719895604 /nfs/dbraw/zinc/89/56/04/719895604.db2.gz FTSCAKKLZIKHLY-BACDZXNISA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C/C=C\Cl)C2)CC1 ZINC000970919077 720987994 /nfs/dbraw/zinc/98/79/94/720987994.db2.gz BGYKPMMXEMDMHV-ZBKLQPJUSA-N 2 1 323.868 1.521 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550059 735304832 /nfs/dbraw/zinc/30/48/32/735304832.db2.gz TVSZDZUHHBWAMC-ZWKOTPCHSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001027602074 738453438 /nfs/dbraw/zinc/45/34/38/738453438.db2.gz KSAUKJOTPDCLGB-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001027602074 738453439 /nfs/dbraw/zinc/45/34/39/738453439.db2.gz KSAUKJOTPDCLGB-INIZCTEOSA-N 2 1 316.449 1.953 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615468 738469936 /nfs/dbraw/zinc/46/99/36/738469936.db2.gz TVCPFGWLRJPWPN-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001027615468 738469940 /nfs/dbraw/zinc/46/99/40/738469940.db2.gz TVCPFGWLRJPWPN-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039126087 732817988 /nfs/dbraw/zinc/81/79/88/732817988.db2.gz IJYVXZYPJWPOBL-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039126087 732817989 /nfs/dbraw/zinc/81/79/89/732817989.db2.gz IJYVXZYPJWPOBL-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039126087 732817994 /nfs/dbraw/zinc/81/79/94/732817994.db2.gz IJYVXZYPJWPOBL-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718301 733482546 /nfs/dbraw/zinc/48/25/46/733482546.db2.gz WPMAXRBBANVPJT-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167476153 734356349 /nfs/dbraw/zinc/35/63/49/734356349.db2.gz QIUXDSIWZCAPNJ-UHFFFAOYSA-N 2 1 308.426 1.305 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294589 782444655 /nfs/dbraw/zinc/44/46/55/782444655.db2.gz DQRRMYRYHUGBLO-HVEGKCCWSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410048 735214765 /nfs/dbraw/zinc/21/47/65/735214765.db2.gz MOSQMWRSDLUATF-ROUUACIJSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410048 735214766 /nfs/dbraw/zinc/21/47/66/735214766.db2.gz MOSQMWRSDLUATF-ROUUACIJSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410048 735214771 /nfs/dbraw/zinc/21/47/71/735214771.db2.gz MOSQMWRSDLUATF-ROUUACIJSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447583 735235962 /nfs/dbraw/zinc/23/59/62/735235962.db2.gz QHJUJSVEDQPDOL-CVEARBPZSA-N 2 1 316.449 1.850 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001024479714 735860857 /nfs/dbraw/zinc/86/08/57/735860857.db2.gz NYTFQOWGBHEHLY-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001024479714 735860861 /nfs/dbraw/zinc/86/08/61/735860861.db2.gz NYTFQOWGBHEHLY-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C[C@H](Nc1nc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(C#N)c1 ZINC001167709413 736410878 /nfs/dbraw/zinc/41/08/78/736410878.db2.gz ZJMZJIDJLYJOMV-ZDUSSCGKSA-N 2 1 308.389 1.931 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001020026378 736981713 /nfs/dbraw/zinc/98/17/13/736981713.db2.gz RDTSKPPLYCKQMT-ULQDDVLXSA-N 2 1 312.417 1.389 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001026285222 737297938 /nfs/dbraw/zinc/29/79/38/737297938.db2.gz YGTBWJTVNXJTIW-BHYGNILZSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001026519670 737632383 /nfs/dbraw/zinc/63/23/83/737632383.db2.gz REXAHWHPFDWQSO-JCYILVPMSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494448 737721287 /nfs/dbraw/zinc/72/12/87/737721287.db2.gz PNTUIOSQRPFTHX-KURKYZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417422 738019258 /nfs/dbraw/zinc/01/92/58/738019258.db2.gz ACNZZNCXOXMINO-HOTGVXAUSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001027469408 738323511 /nfs/dbraw/zinc/32/35/11/738323511.db2.gz ZRKICYPKNIKCCM-CABCVRRESA-N 2 1 300.406 1.002 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001028333971 739369246 /nfs/dbraw/zinc/36/92/46/739369246.db2.gz UBJXDOVVPHPTEE-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587093 739699617 /nfs/dbraw/zinc/69/96/17/739699617.db2.gz GFWDIRPBGZWUQQ-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587093 739699608 /nfs/dbraw/zinc/69/96/08/739699608.db2.gz GFWDIRPBGZWUQQ-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587093 739699612 /nfs/dbraw/zinc/69/96/12/739699612.db2.gz GFWDIRPBGZWUQQ-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648179 739848093 /nfs/dbraw/zinc/84/80/93/739848093.db2.gz UTNLVNBXJFRREF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028648179 739848099 /nfs/dbraw/zinc/84/80/99/739848099.db2.gz UTNLVNBXJFRREF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028648179 739848108 /nfs/dbraw/zinc/84/81/08/739848108.db2.gz UTNLVNBXJFRREF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028659740 739869904 /nfs/dbraw/zinc/86/99/04/739869904.db2.gz XGCNBUJAKNUAKI-CQSZACIVSA-N 2 1 311.857 1.805 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001028659740 739869907 /nfs/dbraw/zinc/86/99/07/739869907.db2.gz XGCNBUJAKNUAKI-CQSZACIVSA-N 2 1 311.857 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028755531 739996267 /nfs/dbraw/zinc/99/62/67/739996267.db2.gz RMNBYWANBOXFGU-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028755531 739996270 /nfs/dbraw/zinc/99/62/70/739996270.db2.gz RMNBYWANBOXFGU-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028755531 739996272 /nfs/dbraw/zinc/99/62/72/739996272.db2.gz RMNBYWANBOXFGU-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010451 740945612 /nfs/dbraw/zinc/94/56/12/740945612.db2.gz VHQUSDNAXHDQFB-SJORKVTESA-N 2 1 315.461 1.276 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027731 740958130 /nfs/dbraw/zinc/95/81/30/740958130.db2.gz AZTZZEIMUZKLCU-CVEARBPZSA-N 2 1 310.401 1.914 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172078 741092924 /nfs/dbraw/zinc/09/29/24/741092924.db2.gz VKTXKUFGDCDMKY-SJORKVTESA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001088428839 741488085 /nfs/dbraw/zinc/48/80/85/741488085.db2.gz DBPXHEZDEZIIQB-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001088428839 741488087 /nfs/dbraw/zinc/48/80/87/741488087.db2.gz DBPXHEZDEZIIQB-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465059 743454458 /nfs/dbraw/zinc/45/44/58/743454458.db2.gz CJAJVOFLQISKBQ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465059 743454463 /nfs/dbraw/zinc/45/44/63/743454463.db2.gz CJAJVOFLQISKBQ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001212465059 743454466 /nfs/dbraw/zinc/45/44/66/743454466.db2.gz CJAJVOFLQISKBQ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001212465059 743454472 /nfs/dbraw/zinc/45/44/72/743454472.db2.gz CJAJVOFLQISKBQ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001182614777 743682965 /nfs/dbraw/zinc/68/29/65/743682965.db2.gz QMXXDUKPEUCNGZ-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185199176 744178502 /nfs/dbraw/zinc/17/85/02/744178502.db2.gz INWDSJBEMJFZGY-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431185 744205522 /nfs/dbraw/zinc/20/55/22/744205522.db2.gz QQBDFHJGTVTKRZ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860739 744245627 /nfs/dbraw/zinc/24/56/27/744245627.db2.gz ZOTLCLNZZMVEEL-RVKKMQEKSA-N 2 1 323.456 1.801 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860739 744245630 /nfs/dbraw/zinc/24/56/30/744245630.db2.gz ZOTLCLNZZMVEEL-RVKKMQEKSA-N 2 1 323.456 1.801 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860739 744245634 /nfs/dbraw/zinc/24/56/34/744245634.db2.gz ZOTLCLNZZMVEEL-RVKKMQEKSA-N 2 1 323.456 1.801 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654288 745285797 /nfs/dbraw/zinc/28/57/97/745285797.db2.gz JHUDRRKMHJRIOU-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654288 745285800 /nfs/dbraw/zinc/28/58/00/745285800.db2.gz JHUDRRKMHJRIOU-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654288 745285802 /nfs/dbraw/zinc/28/58/02/745285802.db2.gz JHUDRRKMHJRIOU-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCOCC)C1 ZINC001190725768 745307745 /nfs/dbraw/zinc/30/77/45/745307745.db2.gz RFPJKLAKHGZUNL-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCOCC)C1 ZINC001190725768 745307749 /nfs/dbraw/zinc/30/77/49/745307749.db2.gz RFPJKLAKHGZUNL-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCOCC)C1 ZINC001190725768 745307754 /nfs/dbraw/zinc/30/77/54/745307754.db2.gz RFPJKLAKHGZUNL-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCOCC)C1 ZINC001190725768 745307757 /nfs/dbraw/zinc/30/77/57/745307757.db2.gz RFPJKLAKHGZUNL-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCOCC)C1 ZINC001190725768 745307758 /nfs/dbraw/zinc/30/77/58/745307758.db2.gz RFPJKLAKHGZUNL-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106594573 745820862 /nfs/dbraw/zinc/82/08/62/745820862.db2.gz WGLNNUQJAGOXFF-VNQPRFMTSA-N 2 1 314.433 1.071 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993494729 746175664 /nfs/dbraw/zinc/17/56/64/746175664.db2.gz QVLQMIXWOSBEPS-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993494729 746175666 /nfs/dbraw/zinc/17/56/66/746175666.db2.gz QVLQMIXWOSBEPS-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCC=C)C2)CC1 ZINC001194247623 746320261 /nfs/dbraw/zinc/32/02/61/746320261.db2.gz YMSNHDDBILTWLX-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293563 747788665 /nfs/dbraw/zinc/78/86/65/747788665.db2.gz XLYDXAYPFBOTLZ-GVDBMIGSSA-N 2 1 321.465 1.110 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001127685887 748150682 /nfs/dbraw/zinc/15/06/82/748150682.db2.gz WHVYUAGPGNUDKH-CZUORRHYSA-N 2 1 300.406 1.104 20 30 DDEDMP COCC#CC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001201119064 748416587 /nfs/dbraw/zinc/41/65/87/748416587.db2.gz ZYQCSYMKDCNAFR-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558787 748544541 /nfs/dbraw/zinc/54/45/41/748544541.db2.gz PGQFJTKZPIQOGU-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCCO1 ZINC001201639997 748555495 /nfs/dbraw/zinc/55/54/95/748555495.db2.gz QERNLSSLISYAAJ-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357428 749262306 /nfs/dbraw/zinc/26/23/06/749262306.db2.gz FSZWOWQVYKSOBO-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357428 749262312 /nfs/dbraw/zinc/26/23/12/749262312.db2.gz FSZWOWQVYKSOBO-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357428 749262316 /nfs/dbraw/zinc/26/23/16/749262316.db2.gz FSZWOWQVYKSOBO-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357428 749262319 /nfs/dbraw/zinc/26/23/19/749262319.db2.gz FSZWOWQVYKSOBO-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995908237 749293515 /nfs/dbraw/zinc/29/35/15/749293515.db2.gz YIJHKXROALVARF-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033586594 749569615 /nfs/dbraw/zinc/56/96/15/749569615.db2.gz XKXGJPMGSXUELO-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033586594 749569620 /nfs/dbraw/zinc/56/96/20/749569620.db2.gz XKXGJPMGSXUELO-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996686080 749908387 /nfs/dbraw/zinc/90/83/87/749908387.db2.gz SBGPHJWNWRFUEZ-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996686080 749908394 /nfs/dbraw/zinc/90/83/94/749908394.db2.gz SBGPHJWNWRFUEZ-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cncc3C)CCC[C@@H]12 ZINC001107472682 750004184 /nfs/dbraw/zinc/00/41/84/750004184.db2.gz BLEXVTDHUFAUQW-NVXWUHKLSA-N 2 1 300.406 1.186 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472682 750004188 /nfs/dbraw/zinc/00/41/88/750004188.db2.gz BLEXVTDHUFAUQW-NVXWUHKLSA-N 2 1 300.406 1.186 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472682 750004192 /nfs/dbraw/zinc/00/41/92/750004192.db2.gz BLEXVTDHUFAUQW-NVXWUHKLSA-N 2 1 300.406 1.186 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039406058 762005209 /nfs/dbraw/zinc/00/52/09/762005209.db2.gz XEVJOXFVTRXGDB-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039406058 762005220 /nfs/dbraw/zinc/00/52/20/762005220.db2.gz XEVJOXFVTRXGDB-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034047709 750315611 /nfs/dbraw/zinc/31/56/11/750315611.db2.gz JXUPRTIEXUMOTB-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034047709 750315619 /nfs/dbraw/zinc/31/56/19/750315619.db2.gz JXUPRTIEXUMOTB-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034047709 750315628 /nfs/dbraw/zinc/31/56/28/750315628.db2.gz JXUPRTIEXUMOTB-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034047709 750315635 /nfs/dbraw/zinc/31/56/35/750315635.db2.gz JXUPRTIEXUMOTB-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111028964 750317925 /nfs/dbraw/zinc/31/79/25/750317925.db2.gz YYQGJOMDVTZCTA-OAGGEKHMSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028964 750317929 /nfs/dbraw/zinc/31/79/29/750317929.db2.gz YYQGJOMDVTZCTA-OAGGEKHMSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111028964 750317932 /nfs/dbraw/zinc/31/79/32/750317932.db2.gz YYQGJOMDVTZCTA-OAGGEKHMSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812464 750469479 /nfs/dbraw/zinc/46/94/79/750469479.db2.gz NADHRCLCRWBPOO-VSZNYVQBSA-N 2 1 315.461 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812464 750469484 /nfs/dbraw/zinc/46/94/84/750469484.db2.gz NADHRCLCRWBPOO-VSZNYVQBSA-N 2 1 315.461 1.606 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC(=C)C)C2)CC1 ZINC001034539209 750543246 /nfs/dbraw/zinc/54/32/46/750543246.db2.gz XPWGEEICQPJFMJ-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474713 762064214 /nfs/dbraw/zinc/06/42/14/762064214.db2.gz WEWQXZCMCDHMMZ-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001005721643 750905053 /nfs/dbraw/zinc/90/50/53/750905053.db2.gz IVUILEZCPYGZOE-UHFFFAOYSA-N 2 1 316.449 1.871 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997643088 751176059 /nfs/dbraw/zinc/17/60/59/751176059.db2.gz ZBCUZTAWKYXIJZ-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035167036 751252208 /nfs/dbraw/zinc/25/22/08/751252208.db2.gz ZACHESGHJOCLDU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035167036 751252209 /nfs/dbraw/zinc/25/22/09/751252209.db2.gz ZACHESGHJOCLDU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035167036 751252212 /nfs/dbraw/zinc/25/22/12/751252212.db2.gz ZACHESGHJOCLDU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCC)C2)CC1 ZINC001035194938 751294526 /nfs/dbraw/zinc/29/45/26/751294526.db2.gz JJDRHUALAWWYPE-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCC)C2)CC1 ZINC001035194938 751294531 /nfs/dbraw/zinc/29/45/31/751294531.db2.gz JJDRHUALAWWYPE-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC)C2)CC1 ZINC001035194938 751294535 /nfs/dbraw/zinc/29/45/35/751294535.db2.gz JJDRHUALAWWYPE-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCC)C2)CC1 ZINC001035194938 751294538 /nfs/dbraw/zinc/29/45/38/751294538.db2.gz JJDRHUALAWWYPE-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1ncc[nH]1)CC2 ZINC001035238494 751320481 /nfs/dbraw/zinc/32/04/81/751320481.db2.gz BCWBVVAMKGGJOW-UHFFFAOYSA-N 2 1 300.406 1.290 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001035257296 751335255 /nfs/dbraw/zinc/33/52/55/751335255.db2.gz WFYSSDORSOWOPL-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005870841 753286211 /nfs/dbraw/zinc/28/62/11/753286211.db2.gz VJZTZWXXQHDKEG-QGZVFWFLSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005870841 753286215 /nfs/dbraw/zinc/28/62/15/753286215.db2.gz VJZTZWXXQHDKEG-QGZVFWFLSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001009625541 753286956 /nfs/dbraw/zinc/28/69/56/753286956.db2.gz FBFSUXSTYQLISZ-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001009626522 753287710 /nfs/dbraw/zinc/28/77/10/753287710.db2.gz IVZCKVHFRIXJOB-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001009627156 753287934 /nfs/dbraw/zinc/28/79/34/753287934.db2.gz JZAKNFXFKLZZBV-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001009628588 753289128 /nfs/dbraw/zinc/28/91/28/753289128.db2.gz QERWYJCMJJXUCM-FUHWJXTLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001009631427 753289998 /nfs/dbraw/zinc/28/99/98/753289998.db2.gz YIZIBIDJRXHMNF-NVXWUHKLSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001000790183 762204699 /nfs/dbraw/zinc/20/46/99/762204699.db2.gz GRNRMNVIFUWSMK-KRWDZBQOSA-N 2 1 301.434 1.242 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC2CC2)CC1 ZINC001000790183 762204702 /nfs/dbraw/zinc/20/47/02/762204702.db2.gz GRNRMNVIFUWSMK-KRWDZBQOSA-N 2 1 301.434 1.242 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CC2)CC1 ZINC001000790183 762204711 /nfs/dbraw/zinc/20/47/11/762204711.db2.gz GRNRMNVIFUWSMK-KRWDZBQOSA-N 2 1 301.434 1.242 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC2CC2)CC1 ZINC001000790183 762204715 /nfs/dbraw/zinc/20/47/15/762204715.db2.gz GRNRMNVIFUWSMK-KRWDZBQOSA-N 2 1 301.434 1.242 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC(=C)C)CC1 ZINC001032800519 754061117 /nfs/dbraw/zinc/06/11/17/754061117.db2.gz LPLHRENGQBETJR-IRXDYDNUSA-N 2 1 301.434 1.193 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078682067 754299422 /nfs/dbraw/zinc/29/94/22/754299422.db2.gz DILRFEJFPPTKNK-KBPBESRZSA-N 2 1 322.840 1.961 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078813363 754418343 /nfs/dbraw/zinc/41/83/43/754418343.db2.gz ZOSFVLVGQBWXRO-UONOGXRCSA-N 2 1 322.840 1.961 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002044103 754648144 /nfs/dbraw/zinc/64/81/44/754648144.db2.gz ZLOZWQXPMLZMBA-UHFFFAOYSA-N 2 1 311.857 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001080107020 755726193 /nfs/dbraw/zinc/72/61/93/755726193.db2.gz LATOCAKBYZXNOD-RHSMWYFYSA-N 2 1 323.400 1.341 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080447025 755923062 /nfs/dbraw/zinc/92/30/62/755923062.db2.gz UWEYCGYMKBZSPC-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080447025 755923063 /nfs/dbraw/zinc/92/30/63/755923063.db2.gz UWEYCGYMKBZSPC-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557075 755979664 /nfs/dbraw/zinc/97/96/64/755979664.db2.gz DJZPPCOARSGTMQ-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001080557075 755979667 /nfs/dbraw/zinc/97/96/67/755979667.db2.gz DJZPPCOARSGTMQ-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001080557075 755979670 /nfs/dbraw/zinc/97/96/70/755979670.db2.gz DJZPPCOARSGTMQ-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001080557075 755979673 /nfs/dbraw/zinc/97/96/73/755979673.db2.gz DJZPPCOARSGTMQ-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097220259 756989982 /nfs/dbraw/zinc/98/99/82/756989982.db2.gz VDKAANCTPOKXGO-WCVJEAGWSA-N 2 1 312.417 1.505 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097220259 756989986 /nfs/dbraw/zinc/98/99/86/756989986.db2.gz VDKAANCTPOKXGO-WCVJEAGWSA-N 2 1 312.417 1.505 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001097323169 757090997 /nfs/dbraw/zinc/09/09/97/757090997.db2.gz WTQVSGFKYRMLGO-DGXTUMSLSA-N 2 1 307.438 1.003 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001097323169 757091003 /nfs/dbraw/zinc/09/10/03/757091003.db2.gz WTQVSGFKYRMLGO-DGXTUMSLSA-N 2 1 307.438 1.003 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323169 757091006 /nfs/dbraw/zinc/09/10/06/757091006.db2.gz WTQVSGFKYRMLGO-DGXTUMSLSA-N 2 1 307.438 1.003 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323169 757091010 /nfs/dbraw/zinc/09/10/10/757091010.db2.gz WTQVSGFKYRMLGO-DGXTUMSLSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083080456 757125782 /nfs/dbraw/zinc/12/57/82/757125782.db2.gz RFBQGEPZAKFYSX-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080456 757125783 /nfs/dbraw/zinc/12/57/83/757125783.db2.gz RFBQGEPZAKFYSX-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080456 757125784 /nfs/dbraw/zinc/12/57/84/757125784.db2.gz RFBQGEPZAKFYSX-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@H]2C1 ZINC001083104665 757138849 /nfs/dbraw/zinc/13/88/49/757138849.db2.gz MRYYRGKLJYALGE-YESZJQIVSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@H]2C1 ZINC001083104665 757138855 /nfs/dbraw/zinc/13/88/55/757138855.db2.gz MRYYRGKLJYALGE-YESZJQIVSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001083104665 757138860 /nfs/dbraw/zinc/13/88/60/757138860.db2.gz MRYYRGKLJYALGE-YESZJQIVSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@H]2C1 ZINC001083104665 757138864 /nfs/dbraw/zinc/13/88/64/757138864.db2.gz MRYYRGKLJYALGE-YESZJQIVSA-N 2 1 321.465 1.062 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430641 757179718 /nfs/dbraw/zinc/17/97/18/757179718.db2.gz MSBBELUKIUPODR-OAGGEKHMSA-N 2 1 301.434 1.360 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097430641 757179721 /nfs/dbraw/zinc/17/97/21/757179721.db2.gz MSBBELUKIUPODR-OAGGEKHMSA-N 2 1 301.434 1.360 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084472040 757590296 /nfs/dbraw/zinc/59/02/96/757590296.db2.gz YKHILIVAQYUTML-RHSMWYFYSA-N 2 1 310.401 1.975 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040495664 762562391 /nfs/dbraw/zinc/56/23/91/762562391.db2.gz AGHHRNDRKMZIJF-SFHVURJKSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084768173 757886091 /nfs/dbraw/zinc/88/60/91/757886091.db2.gz XXSXKHUIKDHZJN-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084768173 757886106 /nfs/dbraw/zinc/88/61/06/757886106.db2.gz XXSXKHUIKDHZJN-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768173 757886118 /nfs/dbraw/zinc/88/61/18/757886118.db2.gz XXSXKHUIKDHZJN-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768173 757886130 /nfs/dbraw/zinc/88/61/30/757886130.db2.gz XXSXKHUIKDHZJN-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(=C)C)CC2)CC1 ZINC001052953726 758003387 /nfs/dbraw/zinc/00/33/87/758003387.db2.gz GUQICLAONJMWOK-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001017943768 758412735 /nfs/dbraw/zinc/41/27/35/758412735.db2.gz IFMBZVWBKZIHPX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001017943768 758412741 /nfs/dbraw/zinc/41/27/41/758412741.db2.gz IFMBZVWBKZIHPX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001017943768 758412748 /nfs/dbraw/zinc/41/27/48/758412748.db2.gz IFMBZVWBKZIHPX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018304850 758715461 /nfs/dbraw/zinc/71/54/61/758715461.db2.gz VYFBKXGSLRUIGK-CALCHBBNSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001018304850 758715468 /nfs/dbraw/zinc/71/54/68/758715468.db2.gz VYFBKXGSLRUIGK-CALCHBBNSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054099103 759163415 /nfs/dbraw/zinc/16/34/15/759163415.db2.gz AQDGPCQXLJDHDV-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099103 759163419 /nfs/dbraw/zinc/16/34/19/759163419.db2.gz AQDGPCQXLJDHDV-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099103 759163422 /nfs/dbraw/zinc/16/34/22/759163422.db2.gz AQDGPCQXLJDHDV-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CN(C)CCO1)C2 ZINC001054109800 759175396 /nfs/dbraw/zinc/17/53/96/759175396.db2.gz SNZJJZIYMDYPSM-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001054109800 759175401 /nfs/dbraw/zinc/17/54/01/759175401.db2.gz SNZJJZIYMDYPSM-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001054109800 759175404 /nfs/dbraw/zinc/17/54/04/759175404.db2.gz SNZJJZIYMDYPSM-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054109800 759175410 /nfs/dbraw/zinc/17/54/10/759175410.db2.gz SNZJJZIYMDYPSM-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001054109800 759175414 /nfs/dbraw/zinc/17/54/14/759175414.db2.gz SNZJJZIYMDYPSM-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054198559 759286115 /nfs/dbraw/zinc/28/61/15/759286115.db2.gz ZRCBZPVVQMIMDM-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198559 759286122 /nfs/dbraw/zinc/28/61/22/759286122.db2.gz ZRCBZPVVQMIMDM-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198559 759286126 /nfs/dbraw/zinc/28/61/26/759286126.db2.gz ZRCBZPVVQMIMDM-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001054213768 759298584 /nfs/dbraw/zinc/29/85/84/759298584.db2.gz JUTNAUOOTONTOO-SFHVURJKSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001054213768 759298586 /nfs/dbraw/zinc/29/85/86/759298586.db2.gz JUTNAUOOTONTOO-SFHVURJKSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108215331 760398093 /nfs/dbraw/zinc/39/80/93/760398093.db2.gz DQKFRADMICVSLD-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215331 760398100 /nfs/dbraw/zinc/39/81/00/760398100.db2.gz DQKFRADMICVSLD-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215331 760398107 /nfs/dbraw/zinc/39/81/07/760398107.db2.gz DQKFRADMICVSLD-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917072 760526665 /nfs/dbraw/zinc/52/66/65/760526665.db2.gz PJXYIYFAZNVIGK-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC(=C)C)CC1 ZINC001085986971 760656614 /nfs/dbraw/zinc/65/66/14/760656614.db2.gz QOLAPSHPIVEAJN-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020062 761458583 /nfs/dbraw/zinc/45/85/83/761458583.db2.gz JNRZUSAMIPVTOU-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086367006 761498253 /nfs/dbraw/zinc/49/82/53/761498253.db2.gz UIFIBRNJYFKZMS-BRWVUGGUSA-N 2 1 317.477 1.759 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000260133 761606371 /nfs/dbraw/zinc/60/63/71/761606371.db2.gz KICFQKGPFRVVCP-GOEBONIOSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC(CC)CC)CC1 ZINC001039041449 761681996 /nfs/dbraw/zinc/68/19/96/761681996.db2.gz CUPHAUXSVYRXQI-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039241896 761878108 /nfs/dbraw/zinc/87/81/08/761878108.db2.gz KBKBSNVXBBQDTI-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848268 762704295 /nfs/dbraw/zinc/70/42/95/762704295.db2.gz HHDQHYFYZCJSKS-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040938403 762737903 /nfs/dbraw/zinc/73/79/03/762737903.db2.gz DUGGPQIBKZTXNF-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725588 762885940 /nfs/dbraw/zinc/88/59/40/762885940.db2.gz GKWDEROUAQOAMG-JYJNAYRXSA-N 2 1 300.406 1.184 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364539 762943784 /nfs/dbraw/zinc/94/37/84/762943784.db2.gz WNZFDSWYMXXLSK-NVXWUHKLSA-N 2 1 323.481 1.690 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041353652 762975919 /nfs/dbraw/zinc/97/59/19/762975919.db2.gz IPCYYCWOMFKIIR-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050047538 763059758 /nfs/dbraw/zinc/05/97/58/763059758.db2.gz MJCPROXYBQLZMO-RCCFBDPRSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050047964 763061194 /nfs/dbraw/zinc/06/11/94/763061194.db2.gz WFCGCWCVNDQJCP-RCCFBDPRSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001050080336 763104190 /nfs/dbraw/zinc/10/41/90/763104190.db2.gz CNGAJIMWIUSAGR-OWCLPIDISA-N 2 1 312.417 1.002 20 30 DDEDMP C#CCN1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001050080336 763104194 /nfs/dbraw/zinc/10/41/94/763104194.db2.gz CNGAJIMWIUSAGR-OWCLPIDISA-N 2 1 312.417 1.002 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041535463 763113382 /nfs/dbraw/zinc/11/33/82/763113382.db2.gz HIEULLSBSWOPIO-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086530270 763201428 /nfs/dbraw/zinc/20/14/28/763201428.db2.gz PIKSWVAEYLZVDW-BRWVUGGUSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109360608 763604362 /nfs/dbraw/zinc/60/43/62/763604362.db2.gz BVHHXXSYCOBSGG-WCVJEAGWSA-N 2 1 309.429 1.411 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109360608 763604367 /nfs/dbraw/zinc/60/43/67/763604367.db2.gz BVHHXXSYCOBSGG-WCVJEAGWSA-N 2 1 309.429 1.411 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094470 763642702 /nfs/dbraw/zinc/64/27/02/763642702.db2.gz SNTOPLNPYIUNCP-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156635 763720902 /nfs/dbraw/zinc/72/09/02/763720902.db2.gz JRYYJMMMKQOYGT-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235203 763797087 /nfs/dbraw/zinc/79/70/87/763797087.db2.gz SWQHENJNGWAHDH-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235203 763797095 /nfs/dbraw/zinc/79/70/95/763797095.db2.gz SWQHENJNGWAHDH-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235203 763797101 /nfs/dbraw/zinc/79/71/01/763797101.db2.gz SWQHENJNGWAHDH-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001042357856 763960547 /nfs/dbraw/zinc/96/05/47/763960547.db2.gz MEXGSIWLSLDTLF-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)CN1CCC2(CN(C(=O)Cc3[nH]cnc3C)C2)CC1 ZINC001050741243 763984911 /nfs/dbraw/zinc/98/49/11/763984911.db2.gz GLQMSFVELRKACS-UHFFFAOYSA-N 2 1 322.840 1.938 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC)C3)CC1 ZINC001047209847 768316497 /nfs/dbraw/zinc/31/64/97/768316497.db2.gz YDIOGEAPDYGOCU-XIRDDKMYSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052488987 765879805 /nfs/dbraw/zinc/87/98/05/765879805.db2.gz MAOROBJJZQDFTG-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052488987 765879812 /nfs/dbraw/zinc/87/98/12/765879812.db2.gz MAOROBJJZQDFTG-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052488987 765879819 /nfs/dbraw/zinc/87/98/19/765879819.db2.gz MAOROBJJZQDFTG-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052488987 765879826 /nfs/dbraw/zinc/87/98/26/765879826.db2.gz MAOROBJJZQDFTG-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265672 768347207 /nfs/dbraw/zinc/34/72/07/768347207.db2.gz VINHDJAEWADQBM-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112197336 779644762 /nfs/dbraw/zinc/64/47/62/779644762.db2.gz LYFWAWPELJUSPW-CHWSQXEVSA-N 2 1 321.387 1.883 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046038272 766845667 /nfs/dbraw/zinc/84/56/67/766845667.db2.gz JEWVYUPHHMOEDL-DLBZAZTESA-N 2 1 322.497 1.121 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1 ZINC001129770539 766998524 /nfs/dbraw/zinc/99/85/24/766998524.db2.gz HRXTVLIVNSSSLI-INIZCTEOSA-N 2 1 303.381 1.129 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1 ZINC001129770539 766998532 /nfs/dbraw/zinc/99/85/32/766998532.db2.gz HRXTVLIVNSSSLI-INIZCTEOSA-N 2 1 303.381 1.129 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(Cl)nc1 ZINC001129776019 766999961 /nfs/dbraw/zinc/99/99/61/766999961.db2.gz ZBJHVJYITAJSHJ-AWEZNQCLSA-N 2 1 320.824 1.038 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(Cl)nc1 ZINC001129776019 766999969 /nfs/dbraw/zinc/99/99/69/766999969.db2.gz ZBJHVJYITAJSHJ-AWEZNQCLSA-N 2 1 320.824 1.038 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569611 767698430 /nfs/dbraw/zinc/69/84/30/767698430.db2.gz KJDUUBJBFGVTCM-MAUKXSAKSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569611 767698437 /nfs/dbraw/zinc/69/84/37/767698437.db2.gz KJDUUBJBFGVTCM-MAUKXSAKSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001047500355 768523578 /nfs/dbraw/zinc/52/35/78/768523578.db2.gz BABDGQFQKHYLKI-QAETUUGQSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500355 768523581 /nfs/dbraw/zinc/52/35/81/768523581.db2.gz BABDGQFQKHYLKI-QAETUUGQSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001047500355 768523585 /nfs/dbraw/zinc/52/35/85/768523585.db2.gz BABDGQFQKHYLKI-QAETUUGQSA-N 2 1 323.481 1.186 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071203497 769132177 /nfs/dbraw/zinc/13/21/77/769132177.db2.gz BRAGYUJLSIZVJD-YJBOKZPZSA-N 2 1 321.465 1.206 20 30 DDEDMP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133040506 769426211 /nfs/dbraw/zinc/42/62/11/769426211.db2.gz UKBMBWOEMYHCEX-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133117849 769510146 /nfs/dbraw/zinc/51/01/46/769510146.db2.gz PAYTYQFFRWVEDN-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133122527 769514056 /nfs/dbraw/zinc/51/40/56/769514056.db2.gz SCOLMIQIBPHGEC-SJORKVTESA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819103 769940061 /nfs/dbraw/zinc/94/00/61/769940061.db2.gz QLEHQDDERZBHNI-ZJPYXAASSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048819103 769940065 /nfs/dbraw/zinc/94/00/65/769940065.db2.gz QLEHQDDERZBHNI-ZJPYXAASSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048819103 769940068 /nfs/dbraw/zinc/94/00/68/769940068.db2.gz QLEHQDDERZBHNI-ZJPYXAASSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)CC[C@H]1C ZINC001072095401 770535550 /nfs/dbraw/zinc/53/55/50/770535550.db2.gz HTAYGTWMIMEAEY-SJLPKXTDSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049538491 770998896 /nfs/dbraw/zinc/99/88/96/770998896.db2.gz WUROBCWEIWOYHH-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049538491 770998900 /nfs/dbraw/zinc/99/89/00/770998900.db2.gz WUROBCWEIWOYHH-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049538491 770998906 /nfs/dbraw/zinc/99/89/06/770998906.db2.gz WUROBCWEIWOYHH-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC#C)CC1 ZINC001049921255 771263028 /nfs/dbraw/zinc/26/30/28/771263028.db2.gz WBFYHSGVVNTXHJ-QZTJIDSGSA-N 2 1 313.445 1.030 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146334706 772842393 /nfs/dbraw/zinc/84/23/93/772842393.db2.gz ZRUPXWCHYPAYGH-KBPBESRZSA-N 2 1 308.426 1.267 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725115 773213493 /nfs/dbraw/zinc/21/34/93/773213493.db2.gz SNEIGSPXOWHAPB-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001092131535 773943109 /nfs/dbraw/zinc/94/31/09/773943109.db2.gz WHOIMBULDYPMAM-MJGOQNOKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092658498 774208814 /nfs/dbraw/zinc/20/88/14/774208814.db2.gz XJRHWJLURYWWEW-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658498 774208819 /nfs/dbraw/zinc/20/88/19/774208819.db2.gz XJRHWJLURYWWEW-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658498 774208825 /nfs/dbraw/zinc/20/88/25/774208825.db2.gz XJRHWJLURYWWEW-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092677091 774214967 /nfs/dbraw/zinc/21/49/67/774214967.db2.gz XOTZXPORMCSCSV-KFWWJZLASA-N 2 1 300.406 1.078 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092677091 774214972 /nfs/dbraw/zinc/21/49/72/774214972.db2.gz XOTZXPORMCSCSV-KFWWJZLASA-N 2 1 300.406 1.078 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001036716929 774391475 /nfs/dbraw/zinc/39/14/75/774391475.db2.gz NTCNYFILWVXASH-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036760143 774508087 /nfs/dbraw/zinc/50/80/87/774508087.db2.gz XNXZWDHWCHKGCG-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc4nccn43)CC[C@H]21 ZINC001036771553 774562104 /nfs/dbraw/zinc/56/21/04/774562104.db2.gz JEDJMMGLBYXVKP-HZPDHXFCSA-N 2 1 322.412 1.894 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841938 774893174 /nfs/dbraw/zinc/89/31/74/774893174.db2.gz HTQAFGPLDNWSRX-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841938 774893179 /nfs/dbraw/zinc/89/31/79/774893179.db2.gz HTQAFGPLDNWSRX-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240665 774913402 /nfs/dbraw/zinc/91/34/02/774913402.db2.gz UMXOFXXXBDDGMQ-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854941 774943755 /nfs/dbraw/zinc/94/37/55/774943755.db2.gz STUCGIRITUYBQG-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854728 774943919 /nfs/dbraw/zinc/94/39/19/774943919.db2.gz PXFONRUCJCPGGP-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556784 775030138 /nfs/dbraw/zinc/03/01/38/775030138.db2.gz QOTCPNYFNZNIMQ-YVSFHVDLSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556784 775030147 /nfs/dbraw/zinc/03/01/47/775030147.db2.gz QOTCPNYFNZNIMQ-YVSFHVDLSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556784 775030151 /nfs/dbraw/zinc/03/01/51/775030151.db2.gz QOTCPNYFNZNIMQ-YVSFHVDLSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149842712 775316868 /nfs/dbraw/zinc/31/68/68/775316868.db2.gz YMQDNRKCDUIEOU-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001099942097 775451554 /nfs/dbraw/zinc/45/15/54/775451554.db2.gz MDRSRWUAGTWIIF-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896111 776009726 /nfs/dbraw/zinc/00/97/26/776009726.db2.gz JXWIMVSHCOZYJQ-CABCVRRESA-N 2 1 322.840 1.867 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896111 776009733 /nfs/dbraw/zinc/00/97/33/776009733.db2.gz JXWIMVSHCOZYJQ-CABCVRRESA-N 2 1 322.840 1.867 20 30 DDEDMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173429050 777190464 /nfs/dbraw/zinc/19/04/64/777190464.db2.gz ZXBGXYNJYKSUNM-AWEZNQCLSA-N 2 1 314.433 1.689 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174890077 777611689 /nfs/dbraw/zinc/61/16/89/777611689.db2.gz OZVOQPGBAVLXFG-JKSUJKDBSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174890077 777611694 /nfs/dbraw/zinc/61/16/94/777611694.db2.gz OZVOQPGBAVLXFG-JKSUJKDBSA-N 2 1 311.470 1.546 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157500 777906124 /nfs/dbraw/zinc/90/61/24/777906124.db2.gz IYAZNHMMOQOAAU-HUUCEWRRSA-N 2 1 314.433 1.079 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157500 777906132 /nfs/dbraw/zinc/90/61/32/777906132.db2.gz IYAZNHMMOQOAAU-HUUCEWRRSA-N 2 1 314.433 1.079 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157972 777906761 /nfs/dbraw/zinc/90/67/61/777906761.db2.gz XQVOKKALCNGJEA-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102157972 777906765 /nfs/dbraw/zinc/90/67/65/777906765.db2.gz XQVOKKALCNGJEA-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479834 778162676 /nfs/dbraw/zinc/16/26/76/778162676.db2.gz KIBPTQZGQMJQLF-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281161 778233679 /nfs/dbraw/zinc/23/36/79/778233679.db2.gz CYMSSBZQBFDSPM-WBVHZDCISA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177119906 778433630 /nfs/dbraw/zinc/43/36/30/778433630.db2.gz QNFUKYHJQJUVGV-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177119906 778433632 /nfs/dbraw/zinc/43/36/32/778433632.db2.gz QNFUKYHJQJUVGV-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497452 778904623 /nfs/dbraw/zinc/90/46/23/778904623.db2.gz GYLZMMXOEQJPHQ-SJLPKXTDSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267145031 837412980 /nfs/dbraw/zinc/41/29/80/837412980.db2.gz LSRFFORVVJRORW-PBHICJAKSA-N 2 1 311.445 1.707 20 30 DDEDMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267372984 837936865 /nfs/dbraw/zinc/93/68/65/837936865.db2.gz IYYOGYZAJFTCGD-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC=C)C2)CC1 ZINC001267735170 838787261 /nfs/dbraw/zinc/78/72/61/838787261.db2.gz MWSJQAAGGZSVJE-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cncc2C1 ZINC001268735015 840735498 /nfs/dbraw/zinc/73/54/98/840735498.db2.gz CONFEAGDBKICNN-CABCVRRESA-N 2 1 304.438 1.848 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cnoc1C ZINC001269417945 841627020 /nfs/dbraw/zinc/62/70/20/841627020.db2.gz UBZJAIWGJIHNKD-HOTGVXAUSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cnoc1C ZINC001269417945 841627023 /nfs/dbraw/zinc/62/70/23/841627023.db2.gz UBZJAIWGJIHNKD-HOTGVXAUSA-N 2 1 318.421 1.065 20 30 DDEDMP C=CCOCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001270248746 842423156 /nfs/dbraw/zinc/42/31/56/842423156.db2.gz JDSMWJSRADVUQR-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCC1 ZINC001270442857 842579599 /nfs/dbraw/zinc/57/95/99/842579599.db2.gz OGRYIPREQHELKL-MRXNPFEDSA-N 2 1 316.449 1.904 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001270874615 842998117 /nfs/dbraw/zinc/99/81/17/842998117.db2.gz NFVIYEZMMYBSFF-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001270874615 842998123 /nfs/dbraw/zinc/99/81/23/842998123.db2.gz NFVIYEZMMYBSFF-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001326557607 861445983 /nfs/dbraw/zinc/44/59/83/861445983.db2.gz CQHBJFICAVUBPW-BRSBDYLESA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001271628122 843738553 /nfs/dbraw/zinc/73/85/53/843738553.db2.gz CTCJSJQSEIUENG-KGLIPLIRSA-N 2 1 318.421 1.057 20 30 DDEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001271678330 843777673 /nfs/dbraw/zinc/77/76/73/843777673.db2.gz QMELJMOYBCXOPN-DLBZAZTESA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001271726438 843811828 /nfs/dbraw/zinc/81/18/28/843811828.db2.gz DSXQCRNPFBLNGE-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCC1 ZINC001326875639 861679692 /nfs/dbraw/zinc/67/96/92/861679692.db2.gz QFVILBSUAVWJHJ-HNNXBMFYSA-N 2 1 316.449 1.959 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248636 848155928 /nfs/dbraw/zinc/15/59/28/848155928.db2.gz FGPHAXWPXSVJCI-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248636 848155932 /nfs/dbraw/zinc/15/59/32/848155932.db2.gz FGPHAXWPXSVJCI-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248636 848155935 /nfs/dbraw/zinc/15/59/35/848155935.db2.gz FGPHAXWPXSVJCI-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034367629 848393904 /nfs/dbraw/zinc/39/39/04/848393904.db2.gz NIEPBUJBMSGQRR-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034367629 848393909 /nfs/dbraw/zinc/39/39/09/848393909.db2.gz NIEPBUJBMSGQRR-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841359 861934406 /nfs/dbraw/zinc/93/44/06/861934406.db2.gz CZDBOLJETSHTTH-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149854617 861945641 /nfs/dbraw/zinc/94/56/41/861945641.db2.gz ONPBHIICZPAOEF-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149854617 861945650 /nfs/dbraw/zinc/94/56/50/861945650.db2.gz ONPBHIICZPAOEF-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149854617 861945658 /nfs/dbraw/zinc/94/56/58/861945658.db2.gz ONPBHIICZPAOEF-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001273261445 849236622 /nfs/dbraw/zinc/23/66/22/849236622.db2.gz TZTFLWFZBAVVQI-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001273599722 851134107 /nfs/dbraw/zinc/13/41/07/851134107.db2.gz UYZUNKIGQHWWMU-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C[NH+]1CCC([NH+]2CCC3(CCN(CCCC#N)C3=O)CC2)CC1 ZINC001273826763 851391070 /nfs/dbraw/zinc/39/10/70/851391070.db2.gz GUCPTQJFBCKMJX-UHFFFAOYSA-N 2 1 318.465 1.699 20 30 DDEDMP COCC[NH+]1CCC2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC001274981392 852726792 /nfs/dbraw/zinc/72/67/92/852726792.db2.gz DXKAYXXVCHDQSL-UHFFFAOYSA-N 2 1 316.449 1.831 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298675 855461113 /nfs/dbraw/zinc/46/11/13/855461113.db2.gz KTFKPWOJQFOASG-ZACQAIPSSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001276318571 855650494 /nfs/dbraw/zinc/65/04/94/855650494.db2.gz CUBRMMSIQKGOPD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001276318571 855650500 /nfs/dbraw/zinc/65/05/00/855650500.db2.gz CUBRMMSIQKGOPD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001276318571 855650506 /nfs/dbraw/zinc/65/05/06/855650506.db2.gz CUBRMMSIQKGOPD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001151403433 862756014 /nfs/dbraw/zinc/75/60/14/862756014.db2.gz UXRJIYYGDCJOBM-UHFFFAOYSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151408609 862758291 /nfs/dbraw/zinc/75/82/91/862758291.db2.gz NDVNJNONQUVZPT-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001111433239 856965636 /nfs/dbraw/zinc/96/56/36/856965636.db2.gz UODBRSCOKOZGAL-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001111433239 856965645 /nfs/dbraw/zinc/96/56/45/856965645.db2.gz UODBRSCOKOZGAL-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001111433239 856965660 /nfs/dbraw/zinc/96/56/60/856965660.db2.gz UODBRSCOKOZGAL-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001111433239 856965672 /nfs/dbraw/zinc/96/56/72/856965672.db2.gz UODBRSCOKOZGAL-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812240 857740498 /nfs/dbraw/zinc/74/04/98/857740498.db2.gz XULVQUNRHNOPTA-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812240 857740501 /nfs/dbraw/zinc/74/05/01/857740501.db2.gz XULVQUNRHNOPTA-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072812240 857740505 /nfs/dbraw/zinc/74/05/05/857740505.db2.gz XULVQUNRHNOPTA-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001072815844 857746952 /nfs/dbraw/zinc/74/69/52/857746952.db2.gz LJWFBEBAZOQXAA-UHFFFAOYSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001072815844 857746957 /nfs/dbraw/zinc/74/69/57/857746957.db2.gz LJWFBEBAZOQXAA-UHFFFAOYSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001072815844 857746962 /nfs/dbraw/zinc/74/69/62/857746962.db2.gz LJWFBEBAZOQXAA-UHFFFAOYSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001072815844 857746968 /nfs/dbraw/zinc/74/69/68/857746968.db2.gz LJWFBEBAZOQXAA-UHFFFAOYSA-N 2 1 311.857 1.758 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4cncn4C3)C2)C1 ZINC001072870481 857823412 /nfs/dbraw/zinc/82/34/12/857823412.db2.gz KJSAUAKNFCZALR-AWEZNQCLSA-N 2 1 300.406 1.166 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129743 858126171 /nfs/dbraw/zinc/12/61/71/858126171.db2.gz CYJZSDWNMGSUDO-UHFFFAOYSA-N 2 1 309.841 1.369 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001073129743 858126175 /nfs/dbraw/zinc/12/61/75/858126175.db2.gz CYJZSDWNMGSUDO-UHFFFAOYSA-N 2 1 309.841 1.369 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001161206508 860574734 /nfs/dbraw/zinc/57/47/34/860574734.db2.gz KBWBLHUJQXVVDM-MRXNPFEDSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161206508 860574736 /nfs/dbraw/zinc/57/47/36/860574736.db2.gz KBWBLHUJQXVVDM-MRXNPFEDSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001161206508 860574738 /nfs/dbraw/zinc/57/47/38/860574738.db2.gz KBWBLHUJQXVVDM-MRXNPFEDSA-N 2 1 303.450 1.632 20 30 DDEDMP C=CCCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001325818722 860851187 /nfs/dbraw/zinc/85/11/87/860851187.db2.gz QVZMHXDCDPQLFS-MRXNPFEDSA-N 2 1 322.497 1.075 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001325945282 860978338 /nfs/dbraw/zinc/97/83/38/860978338.db2.gz AMBJZRPPOJMJCY-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C[N@H+]1CCC[C@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21 ZINC001157259788 863688194 /nfs/dbraw/zinc/68/81/94/863688194.db2.gz FYSXJGZMEHPIOK-GUYCJALGSA-N 2 1 311.433 1.519 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCOCC ZINC001153868182 864180635 /nfs/dbraw/zinc/18/06/35/864180635.db2.gz MWWJRKDAPJQJPX-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCOCC ZINC001153868182 864180644 /nfs/dbraw/zinc/18/06/44/864180644.db2.gz MWWJRKDAPJQJPX-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCOCC ZINC001153868182 864180651 /nfs/dbraw/zinc/18/06/51/864180651.db2.gz MWWJRKDAPJQJPX-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCOCC ZINC001153868182 864180659 /nfs/dbraw/zinc/18/06/59/864180659.db2.gz MWWJRKDAPJQJPX-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330445867 864354663 /nfs/dbraw/zinc/35/46/63/864354663.db2.gz NNDFHYNCKJHQQG-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001330472059 864380302 /nfs/dbraw/zinc/38/03/02/864380302.db2.gz YDPTWUMFZISCAE-BZSNNMDCSA-N 2 1 319.493 1.958 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001158428733 864650561 /nfs/dbraw/zinc/65/05/61/864650561.db2.gz QWAMCKZYSHKJIB-RHSMWYFYSA-N 2 1 314.433 1.494 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001332203730 865663165 /nfs/dbraw/zinc/66/31/65/865663165.db2.gz FMZNFIDCNFDYHH-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001332203730 865663173 /nfs/dbraw/zinc/66/31/73/865663173.db2.gz FMZNFIDCNFDYHH-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001160191431 865718365 /nfs/dbraw/zinc/71/83/65/865718365.db2.gz ASJHRBLDRKOHCJ-SFHVURJKSA-N 2 1 324.428 1.252 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001160191431 865718369 /nfs/dbraw/zinc/71/83/69/865718369.db2.gz ASJHRBLDRKOHCJ-SFHVURJKSA-N 2 1 324.428 1.252 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001160292046 865766362 /nfs/dbraw/zinc/76/63/62/865766362.db2.gz LHNKZOGLKNCFNB-INIZCTEOSA-N 2 1 309.429 1.438 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332389308 865809099 /nfs/dbraw/zinc/80/90/99/865809099.db2.gz YQATZDNFCIMMCE-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001332665646 866043823 /nfs/dbraw/zinc/04/38/23/866043823.db2.gz VJMWQGMQSOTVOE-HOTGVXAUSA-N 2 1 311.470 1.188 20 30 DDEDMP CC#CC[N@H+](C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001332734699 866105855 /nfs/dbraw/zinc/10/58/55/866105855.db2.gz DXRAMWMCIPTIAV-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[N@@H+](C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001332734699 866105863 /nfs/dbraw/zinc/10/58/63/866105863.db2.gz DXRAMWMCIPTIAV-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001323080064 866320991 /nfs/dbraw/zinc/32/09/91/866320991.db2.gz FMWPSUMUYZXBET-DLBZAZTESA-N 2 1 305.466 1.757 20 30 DDEDMP CC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1[NH2+]CC#CCOC ZINC001323171092 866398679 /nfs/dbraw/zinc/39/86/79/866398679.db2.gz TVIASIFOWPYSMM-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161383180 866612810 /nfs/dbraw/zinc/61/28/10/866612810.db2.gz LCGUAUDWPDAUFF-UHFFFAOYSA-N 2 1 314.433 1.778 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001161383180 866612823 /nfs/dbraw/zinc/61/28/23/866612823.db2.gz LCGUAUDWPDAUFF-UHFFFAOYSA-N 2 1 314.433 1.778 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001325049129 867721178 /nfs/dbraw/zinc/72/11/78/867721178.db2.gz AUXCGKJYFLEPLW-ZDUSSCGKSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001325450831 868042279 /nfs/dbraw/zinc/04/22/79/868042279.db2.gz SCUZOOBGTUHTNW-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C#N)ccc1[N+](=O)[O-] ZINC001163125359 868128644 /nfs/dbraw/zinc/12/86/44/868128644.db2.gz BAAVOTZJHDOKOK-UHFFFAOYSA-N 2 1 305.342 1.140 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163822092 868737035 /nfs/dbraw/zinc/73/70/35/868737035.db2.gz RYNDDSFMEYHQHI-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001226160514 882240588 /nfs/dbraw/zinc/24/05/88/882240588.db2.gz IKGXLRGAWYRXOB-BRWVUGGUSA-N 2 1 305.466 1.900 20 30 DDEDMP CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001316850903 871312190 /nfs/dbraw/zinc/31/21/90/871312190.db2.gz KOGBWUDESMIMIZ-KRWDZBQOSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284222 871482950 /nfs/dbraw/zinc/48/29/50/871482950.db2.gz KKOQXOKMPPUTRB-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001317848170 871588485 /nfs/dbraw/zinc/58/84/85/871588485.db2.gz KGLNEJRGSAEMQZ-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317848170 871588492 /nfs/dbraw/zinc/58/84/92/871588492.db2.gz KGLNEJRGSAEMQZ-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317848170 871588500 /nfs/dbraw/zinc/58/85/00/871588500.db2.gz KGLNEJRGSAEMQZ-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP N#Cc1ccc2nc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)cn2c1 ZINC001205591311 871646241 /nfs/dbraw/zinc/64/62/41/871646241.db2.gz KFEWMPKDVAMCRV-MRXNPFEDSA-N 2 1 301.369 1.859 20 30 DDEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001316699300 871808709 /nfs/dbraw/zinc/80/87/09/871808709.db2.gz QNQVEKBHWLAEOR-IKGGRYGDSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001316746524 871986424 /nfs/dbraw/zinc/98/64/24/871986424.db2.gz RACFMYUELJXJAK-DLBZAZTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001316746524 871986442 /nfs/dbraw/zinc/98/64/42/871986442.db2.gz RACFMYUELJXJAK-DLBZAZTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001316746524 871986451 /nfs/dbraw/zinc/98/64/51/871986451.db2.gz RACFMYUELJXJAK-DLBZAZTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001316794418 872054942 /nfs/dbraw/zinc/05/49/42/872054942.db2.gz JTTGWYGTPWDECN-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001316793100 872055541 /nfs/dbraw/zinc/05/55/41/872055541.db2.gz LOFIVGQMMRFPDH-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206281324 872184423 /nfs/dbraw/zinc/18/44/23/872184423.db2.gz IKWCXSADTQFSHU-INIZCTEOSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001318816444 872285936 /nfs/dbraw/zinc/28/59/36/872285936.db2.gz LAEFVFAYDDBMQO-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163194 873880345 /nfs/dbraw/zinc/88/03/45/873880345.db2.gz FIRITRONZCHABW-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)C1 ZINC001347317081 874099136 /nfs/dbraw/zinc/09/91/36/874099136.db2.gz NWEYSNOMPZDELZ-NCOADZHNSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)C1 ZINC001347317081 874099145 /nfs/dbraw/zinc/09/91/45/874099145.db2.gz NWEYSNOMPZDELZ-NCOADZHNSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)C1 ZINC001347317081 874099155 /nfs/dbraw/zinc/09/91/55/874099155.db2.gz NWEYSNOMPZDELZ-NCOADZHNSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)C1 ZINC001347317081 874099167 /nfs/dbraw/zinc/09/91/67/874099167.db2.gz NWEYSNOMPZDELZ-NCOADZHNSA-N 2 1 303.450 1.321 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)[NH+](CC)CC ZINC001208575807 874277586 /nfs/dbraw/zinc/27/75/86/874277586.db2.gz VYNAOIWNDGDJJW-BRWVUGGUSA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001378410626 874830799 /nfs/dbraw/zinc/83/07/99/874830799.db2.gz IGFASQCIXYLYGM-CJNGLKHVSA-N 2 1 313.873 1.955 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211256722 875730959 /nfs/dbraw/zinc/73/09/59/875730959.db2.gz MBWSVJFHACJDQC-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378852303 875772823 /nfs/dbraw/zinc/77/28/23/875772823.db2.gz LJICAMXBMZMQFN-QWHCGFSZSA-N 2 1 320.462 1.508 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001276712643 876393764 /nfs/dbraw/zinc/39/37/64/876393764.db2.gz YUGXAZJBMYGPTI-QZTJIDSGSA-N 2 1 313.445 1.797 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215938618 876827688 /nfs/dbraw/zinc/82/76/88/876827688.db2.gz HNPVSDPZWWOUNK-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850665 877079126 /nfs/dbraw/zinc/07/91/26/877079126.db2.gz PASGCANQRXDTKV-NXHRZFHOSA-N 2 1 313.445 1.749 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220688723 879186467 /nfs/dbraw/zinc/18/64/67/879186467.db2.gz OMBRFCQRFRPVSD-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688723 879186472 /nfs/dbraw/zinc/18/64/72/879186472.db2.gz OMBRFCQRFRPVSD-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220688723 879186476 /nfs/dbraw/zinc/18/64/76/879186476.db2.gz OMBRFCQRFRPVSD-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001222489118 880504029 /nfs/dbraw/zinc/50/40/29/880504029.db2.gz LGMNLGWBVSYRSY-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001222489118 880504038 /nfs/dbraw/zinc/50/40/38/880504038.db2.gz LGMNLGWBVSYRSY-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489118 880504054 /nfs/dbraw/zinc/50/40/54/880504054.db2.gz LGMNLGWBVSYRSY-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001222489118 880504067 /nfs/dbraw/zinc/50/40/67/880504067.db2.gz LGMNLGWBVSYRSY-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142609 883842865 /nfs/dbraw/zinc/84/28/65/883842865.db2.gz WKLBETWZZZSCAS-IAGOWNOFSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001229200659 883870338 /nfs/dbraw/zinc/87/03/38/883870338.db2.gz SMXORQGLQDZCLE-UHFFFAOYSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001230035878 884293172 /nfs/dbraw/zinc/29/31/72/884293172.db2.gz XWSBWLPVDGCKOL-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001277501698 885442344 /nfs/dbraw/zinc/44/23/44/885442344.db2.gz UUSBLLLSTRVCQZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001277501698 885442352 /nfs/dbraw/zinc/44/23/52/885442352.db2.gz UUSBLLLSTRVCQZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001277501698 885442358 /nfs/dbraw/zinc/44/23/58/885442358.db2.gz UUSBLLLSTRVCQZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345452 887889969 /nfs/dbraw/zinc/88/99/69/887889969.db2.gz JDFDREHYDQYARZ-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277913947 888297427 /nfs/dbraw/zinc/29/74/27/888297427.db2.gz KFTBVYMAKQMJAM-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)C1=O ZINC001235495731 888680936 /nfs/dbraw/zinc/68/09/36/888680936.db2.gz YWGANTHTJVDFTK-YOEHRIQHSA-N 2 1 307.438 1.211 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)C1=O ZINC001235495731 888680942 /nfs/dbraw/zinc/68/09/42/888680942.db2.gz YWGANTHTJVDFTK-YOEHRIQHSA-N 2 1 307.438 1.211 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC001364685641 889193873 /nfs/dbraw/zinc/19/38/73/889193873.db2.gz QWYJNRAPVRTBJW-GOSISDBHSA-N 2 1 316.449 1.161 20 30 DDEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CC2CC2)CC1 ZINC001278200600 890126250 /nfs/dbraw/zinc/12/62/50/890126250.db2.gz OKIFJXVLQBLKGC-UHFFFAOYSA-N 2 1 314.433 1.528 20 30 DDEDMP C#Cc1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC001254030615 896221502 /nfs/dbraw/zinc/22/15/02/896221502.db2.gz ZKXDKJNVPIPWAE-UHFFFAOYSA-N 2 1 321.424 1.924 20 30 DDEDMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254665099 896562221 /nfs/dbraw/zinc/56/22/21/896562221.db2.gz LNZRQJNXQDEIBY-NRKLIOEPSA-N 2 1 314.437 1.365 20 30 DDEDMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254665099 896562229 /nfs/dbraw/zinc/56/22/29/896562229.db2.gz LNZRQJNXQDEIBY-NRKLIOEPSA-N 2 1 314.437 1.365 20 30 DDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254665099 896562240 /nfs/dbraw/zinc/56/22/40/896562240.db2.gz LNZRQJNXQDEIBY-NRKLIOEPSA-N 2 1 314.437 1.365 20 30 DDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254665099 896562254 /nfs/dbraw/zinc/56/22/54/896562254.db2.gz LNZRQJNXQDEIBY-NRKLIOEPSA-N 2 1 314.437 1.365 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001367690505 897475463 /nfs/dbraw/zinc/47/54/63/897475463.db2.gz GXIJXTGCXSHCKI-DGCLKSJQSA-N 2 1 310.829 1.601 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001263870321 900786251 /nfs/dbraw/zinc/78/62/51/900786251.db2.gz UKLBRMCCXUGEEU-ULQDDVLXSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001264147816 900978480 /nfs/dbraw/zinc/97/84/80/900978480.db2.gz VGECOFUWZIHAON-PMPSAXMXSA-N 2 1 311.470 1.354 20 30 DDEDMP COCC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001265648207 902251286 /nfs/dbraw/zinc/25/12/86/902251286.db2.gz ZXKCKJPUGZBCAL-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001265648207 902251298 /nfs/dbraw/zinc/25/12/98/902251298.db2.gz ZXKCKJPUGZBCAL-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001265648207 902251319 /nfs/dbraw/zinc/25/13/19/902251319.db2.gz ZXKCKJPUGZBCAL-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001265648207 902251334 /nfs/dbraw/zinc/25/13/34/902251334.db2.gz ZXKCKJPUGZBCAL-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266059579 902861494 /nfs/dbraw/zinc/86/14/94/902861494.db2.gz KTXFBTNYCHVRMU-ZIAGYGMSSA-N 2 1 318.421 1.390 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001279722384 903398376 /nfs/dbraw/zinc/39/83/76/903398376.db2.gz IHRJMJMGSLFJPB-OAHLLOKOSA-N 2 1 303.381 1.116 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001280966135 904251254 /nfs/dbraw/zinc/25/12/54/904251254.db2.gz AVRRPKBAQPKONR-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC=C ZINC001281941062 905334891 /nfs/dbraw/zinc/33/48/91/905334891.db2.gz FNLJFOGZAYDIOQ-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCCC=C ZINC001281941062 905334906 /nfs/dbraw/zinc/33/49/06/905334906.db2.gz FNLJFOGZAYDIOQ-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC=C ZINC001281941062 905334923 /nfs/dbraw/zinc/33/49/23/905334923.db2.gz FNLJFOGZAYDIOQ-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC=C ZINC001281941062 905334937 /nfs/dbraw/zinc/33/49/37/905334937.db2.gz FNLJFOGZAYDIOQ-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001283611382 907676281 /nfs/dbraw/zinc/67/62/81/907676281.db2.gz AZIRXCNVRSGZDH-WFASDCNBSA-N 2 1 305.426 1.413 20 30 DDEDMP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001283611382 907676286 /nfs/dbraw/zinc/67/62/86/907676286.db2.gz AZIRXCNVRSGZDH-WFASDCNBSA-N 2 1 305.426 1.413 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001376148635 917811972 /nfs/dbraw/zinc/81/19/72/917811972.db2.gz HWHVQUNKJYENPQ-LBPRGKRZSA-N 2 1 306.435 1.262 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001376148635 917811976 /nfs/dbraw/zinc/81/19/76/917811976.db2.gz HWHVQUNKJYENPQ-LBPRGKRZSA-N 2 1 306.435 1.262 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1C#N ZINC001376728660 919190722 /nfs/dbraw/zinc/19/07/22/919190722.db2.gz FBICQXVRHAYJFV-CKEIUWERSA-N 2 1 314.433 1.493 20 30 DDEDMP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC001377260568 920816619 /nfs/dbraw/zinc/81/66/19/920816619.db2.gz KRTRJFDFXWQHCK-UHFFFAOYSA-N 2 1 300.406 1.202 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000277145275 213325451 /nfs/dbraw/zinc/32/54/51/213325451.db2.gz JINPOKLMYUJKQD-SJORKVTESA-N 2 1 317.433 1.714 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000277145275 213325454 /nfs/dbraw/zinc/32/54/54/213325454.db2.gz JINPOKLMYUJKQD-SJORKVTESA-N 2 1 317.433 1.714 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000074325639 353307136 /nfs/dbraw/zinc/30/71/36/353307136.db2.gz STIAUJQREAZTCF-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCCC#N)CC1 ZINC000593966365 356074521 /nfs/dbraw/zinc/07/45/21/356074521.db2.gz BKWLUTORKRQUMH-UHFFFAOYSA-N 2 1 301.394 1.856 20 30 DDEDMP N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCC[NH2+]CC3)C2=O)cc1 ZINC000333266131 283157668 /nfs/dbraw/zinc/15/76/68/283157668.db2.gz JLYZZWRTLPDTHS-NVXWUHKLSA-N 2 1 312.417 1.785 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(C#N)cc1 ZINC000597942729 357392870 /nfs/dbraw/zinc/39/28/70/357392870.db2.gz MNOKXODHNAQBEH-HNNXBMFYSA-N 2 1 316.449 1.489 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(C#N)cc1 ZINC000597942729 357392874 /nfs/dbraw/zinc/39/28/74/357392874.db2.gz MNOKXODHNAQBEH-HNNXBMFYSA-N 2 1 316.449 1.489 20 30 DDEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599300857 357882942 /nfs/dbraw/zinc/88/29/42/357882942.db2.gz YANPVHPSMOWRIB-DLBZAZTESA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599300857 357882945 /nfs/dbraw/zinc/88/29/45/357882945.db2.gz YANPVHPSMOWRIB-DLBZAZTESA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599300857 357882948 /nfs/dbraw/zinc/88/29/48/357882948.db2.gz YANPVHPSMOWRIB-DLBZAZTESA-N 2 1 323.481 1.864 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609133561 360263410 /nfs/dbraw/zinc/26/34/10/360263410.db2.gz VTIALNAZLKDSEX-AWEZNQCLSA-N 2 1 324.469 1.439 20 30 DDEDMP COc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1C#N ZINC000619653870 364101664 /nfs/dbraw/zinc/10/16/64/364101664.db2.gz OVCOIJVQUSAESX-UHFFFAOYSA-N 2 1 316.449 1.684 20 30 DDEDMP C=CC[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000625702576 367098128 /nfs/dbraw/zinc/09/81/28/367098128.db2.gz HHPFFFGRIRSBPZ-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP N#Cc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000105475255 194106423 /nfs/dbraw/zinc/10/64/23/194106423.db2.gz PSBLCCFPCGBZEB-INIZCTEOSA-N 2 1 300.406 1.235 20 30 DDEDMP N#Cc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000105475255 194106426 /nfs/dbraw/zinc/10/64/26/194106426.db2.gz PSBLCCFPCGBZEB-INIZCTEOSA-N 2 1 300.406 1.235 20 30 DDEDMP CC[N@H+](C)CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000104181276 407348481 /nfs/dbraw/zinc/34/84/81/407348481.db2.gz WFLNWSVXELVCSL-UHFFFAOYSA-N 2 1 308.426 1.102 20 30 DDEDMP CC[N@@H+](C)CCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000104181276 407348483 /nfs/dbraw/zinc/34/84/83/407348483.db2.gz WFLNWSVXELVCSL-UHFFFAOYSA-N 2 1 308.426 1.102 20 30 DDEDMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000292039158 408967615 /nfs/dbraw/zinc/96/76/15/408967615.db2.gz AIUZASXZLJWMEQ-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000292039158 408967618 /nfs/dbraw/zinc/96/76/18/408967618.db2.gz AIUZASXZLJWMEQ-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000292039158 408967621 /nfs/dbraw/zinc/96/76/21/408967621.db2.gz AIUZASXZLJWMEQ-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227158 409736053 /nfs/dbraw/zinc/73/60/53/409736053.db2.gz ZLEGWPXUIXSGKS-HZPDHXFCSA-N 2 1 319.453 1.447 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)C#N ZINC000358626712 410499898 /nfs/dbraw/zinc/49/98/98/410499898.db2.gz MTBHZTMUZRQSQE-HNNXBMFYSA-N 2 1 323.485 1.594 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN/C(N)=[NH+]/Cc1cn2ccsc2n1 ZINC000262344584 222276381 /nfs/dbraw/zinc/27/63/81/222276381.db2.gz TVASJTWSGOXMFK-GFCCVEGCSA-N 2 1 306.439 1.284 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COC2(CCCCC2)O1 ZINC000263163129 222305276 /nfs/dbraw/zinc/30/52/76/222305276.db2.gz PDYOAIPAEKEHEX-CABCVRRESA-N 2 1 324.469 1.451 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)Nc1cccc(F)c1 ZINC000264074485 222314015 /nfs/dbraw/zinc/31/40/15/222314015.db2.gz FEROZFFZGYQMTR-AWEZNQCLSA-N 2 1 321.400 1.153 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000264116633 222321238 /nfs/dbraw/zinc/32/12/38/222321238.db2.gz SYVQLSGYUGIWPG-KRWDZBQOSA-N 2 1 316.449 1.198 20 30 DDEDMP CCc1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000267445351 222385336 /nfs/dbraw/zinc/38/53/36/222385336.db2.gz PYCIIKNBPBGCOU-AWEZNQCLSA-N 2 1 304.438 1.944 20 30 DDEDMP N#Cc1ccc(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000377552909 418712335 /nfs/dbraw/zinc/71/23/35/418712335.db2.gz KLCLLNMJWIXDLU-QGZVFWFLSA-N 2 1 312.417 1.472 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000377552909 418712338 /nfs/dbraw/zinc/71/23/38/418712338.db2.gz KLCLLNMJWIXDLU-QGZVFWFLSA-N 2 1 312.417 1.472 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000362026713 418741388 /nfs/dbraw/zinc/74/13/88/418741388.db2.gz XAJWFQAUCZJCRW-DOTOQJQBSA-N 2 1 320.481 1.763 20 30 DDEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000368845773 418725420 /nfs/dbraw/zinc/72/54/20/418725420.db2.gz NSMWUNJRPXGMOK-BBRMVZONSA-N 2 1 323.400 1.995 20 30 DDEDMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424136232 228233486 /nfs/dbraw/zinc/23/34/86/228233486.db2.gz QODMXIVXCHFXEH-ZNMIVQPWSA-N 2 1 310.442 1.013 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000424178609 228241929 /nfs/dbraw/zinc/24/19/29/228241929.db2.gz RMBOMZZLMKZKBW-HUUCEWRRSA-N 2 1 304.369 1.320 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261660610 276170645 /nfs/dbraw/zinc/17/06/45/276170645.db2.gz NVLGUERNJIWCIP-BARDWOONSA-N 2 1 306.454 1.333 20 30 DDEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000527049253 336281292 /nfs/dbraw/zinc/28/12/92/336281292.db2.gz OBIMSCWSKBEJFZ-OAHLLOKOSA-N 2 1 320.481 1.990 20 30 DDEDMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000395722823 337227312 /nfs/dbraw/zinc/22/73/12/337227312.db2.gz LSQVAKNANNLWLX-MRXNPFEDSA-N 2 1 303.406 1.372 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000390881810 483981591 /nfs/dbraw/zinc/98/15/91/483981591.db2.gz FWXWSGFIHHOHAQ-NVXWUHKLSA-N 2 1 315.417 1.372 20 30 DDEDMP OCC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000671240751 484977330 /nfs/dbraw/zinc/97/73/30/484977330.db2.gz QDSXHGXZAIQQCB-ROUUACIJSA-N 2 1 308.466 1.179 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CC)C[C@H]2CC)CC1 ZINC000458334068 526427923 /nfs/dbraw/zinc/42/79/23/526427923.db2.gz MKPDBVJTRSBUFL-MRXNPFEDSA-N 2 1 308.470 1.763 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000491674717 526814551 /nfs/dbraw/zinc/81/45/51/526814551.db2.gz LBGSPIJGALRTKG-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000491674717 526814555 /nfs/dbraw/zinc/81/45/55/526814555.db2.gz LBGSPIJGALRTKG-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000491674717 526814558 /nfs/dbraw/zinc/81/45/58/526814558.db2.gz LBGSPIJGALRTKG-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000491677364 526815297 /nfs/dbraw/zinc/81/52/97/526815297.db2.gz QMKRFWYKJWEWMR-INIZCTEOSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000491677364 526815301 /nfs/dbraw/zinc/81/53/01/526815301.db2.gz QMKRFWYKJWEWMR-INIZCTEOSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000491677364 526815308 /nfs/dbraw/zinc/81/53/08/526815308.db2.gz QMKRFWYKJWEWMR-INIZCTEOSA-N 2 1 308.470 1.505 20 30 DDEDMP CC[C@H]1C[NH+](CC#CC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000342130919 529286258 /nfs/dbraw/zinc/28/62/58/529286258.db2.gz PGJGAASPZFSJAP-ROUUACIJSA-N 2 1 308.466 1.992 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000974771250 695731304 /nfs/dbraw/zinc/73/13/04/695731304.db2.gz FGJDKOSXURSKMN-OAHLLOKOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(=C)C)CC2(C)C)CC1 ZINC000977635381 696241261 /nfs/dbraw/zinc/24/12/61/696241261.db2.gz ANDHMBKPKIXIBL-KRWDZBQOSA-N 2 1 317.477 1.734 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978139238 696329816 /nfs/dbraw/zinc/32/98/16/696329816.db2.gz DAQRUGNFEPTNCS-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978139238 696329818 /nfs/dbraw/zinc/32/98/18/696329818.db2.gz DAQRUGNFEPTNCS-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978139238 696329821 /nfs/dbraw/zinc/32/98/21/696329821.db2.gz DAQRUGNFEPTNCS-NXOAAHMSSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978620754 696425389 /nfs/dbraw/zinc/42/53/89/696425389.db2.gz YCXCTOCIJIVDMV-LUKYLMHMSA-N 2 1 303.450 1.036 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978620754 696425392 /nfs/dbraw/zinc/42/53/92/696425392.db2.gz YCXCTOCIJIVDMV-LUKYLMHMSA-N 2 1 303.450 1.036 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978620754 696425393 /nfs/dbraw/zinc/42/53/93/696425393.db2.gz YCXCTOCIJIVDMV-LUKYLMHMSA-N 2 1 303.450 1.036 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000978844925 696468067 /nfs/dbraw/zinc/46/80/67/696468067.db2.gz IMGDZAAPGKGVKS-NNZMDNLPSA-N 2 1 313.445 1.842 20 30 DDEDMP CCc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000104174574 696619393 /nfs/dbraw/zinc/61/93/93/696619393.db2.gz GJLXWHNHAIBFIH-OAHLLOKOSA-N 2 1 317.481 1.859 20 30 DDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(OC)ccc2OC)C1 ZINC000104172405 696619435 /nfs/dbraw/zinc/61/94/35/696619435.db2.gz WUJUGDDXNUKLMU-LBPRGKRZSA-N 2 1 306.410 1.772 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980185180 696703293 /nfs/dbraw/zinc/70/32/93/696703293.db2.gz KYWUJHNYMMAHSN-BZSNNMDCSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812204 696926767 /nfs/dbraw/zinc/92/67/67/696926767.db2.gz JVQWAEGHOIXASP-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981821776 696931435 /nfs/dbraw/zinc/93/14/35/696931435.db2.gz BJNGVAZWJLOYFN-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981821776 696931436 /nfs/dbraw/zinc/93/14/36/696931436.db2.gz BJNGVAZWJLOYFN-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981821776 696931438 /nfs/dbraw/zinc/93/14/38/696931438.db2.gz BJNGVAZWJLOYFN-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000982012427 697003064 /nfs/dbraw/zinc/00/30/64/697003064.db2.gz WXHRPORGXWFZSY-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012427 697003067 /nfs/dbraw/zinc/00/30/67/697003067.db2.gz WXHRPORGXWFZSY-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012427 697003071 /nfs/dbraw/zinc/00/30/71/697003071.db2.gz WXHRPORGXWFZSY-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013524 697003531 /nfs/dbraw/zinc/00/35/31/697003531.db2.gz UKQSRGHXTQNYTI-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013524 697003533 /nfs/dbraw/zinc/00/35/33/697003533.db2.gz UKQSRGHXTQNYTI-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013524 697003535 /nfs/dbraw/zinc/00/35/35/697003535.db2.gz UKQSRGHXTQNYTI-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982512297 697142829 /nfs/dbraw/zinc/14/28/29/697142829.db2.gz KBHDYUOOYLYWDW-HDICACEKSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982560502 697150599 /nfs/dbraw/zinc/15/05/99/697150599.db2.gz KOVHQFRSGZOMLS-RYQLBKOJSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985557761 697530102 /nfs/dbraw/zinc/53/01/02/697530102.db2.gz DYBPAUNIWDNZGC-QGZVFWFLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000985655063 697550871 /nfs/dbraw/zinc/55/08/71/697550871.db2.gz QOGPBTDWSVWPNO-WFASDCNBSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000985655063 697550872 /nfs/dbraw/zinc/55/08/72/697550872.db2.gz QOGPBTDWSVWPNO-WFASDCNBSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000985655063 697550873 /nfs/dbraw/zinc/55/08/73/697550873.db2.gz QOGPBTDWSVWPNO-WFASDCNBSA-N 2 1 313.873 1.859 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000987263537 698064564 /nfs/dbraw/zinc/06/45/64/698064564.db2.gz APBGOJSPVOBHFJ-CZUORRHYSA-N 2 1 311.389 1.646 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261970894 698447985 /nfs/dbraw/zinc/44/79/85/698447985.db2.gz MSVKDKVIKFMLDX-DNMXQMFDSA-N 2 1 322.497 1.575 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991071659 699221696 /nfs/dbraw/zinc/22/16/96/699221696.db2.gz ZCWKWZURRNUAHB-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991071659 699221698 /nfs/dbraw/zinc/22/16/98/699221698.db2.gz ZCWKWZURRNUAHB-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991071659 699221700 /nfs/dbraw/zinc/22/17/00/699221700.db2.gz ZCWKWZURRNUAHB-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738519620 699761832 /nfs/dbraw/zinc/76/18/32/699761832.db2.gz DUUOBZMLTZCUDZ-SFHVURJKSA-N 2 1 313.445 1.804 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000738519620 699761834 /nfs/dbraw/zinc/76/18/34/699761834.db2.gz DUUOBZMLTZCUDZ-SFHVURJKSA-N 2 1 313.445 1.804 20 30 DDEDMP C=CCN1CCN(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000840016501 701914043 /nfs/dbraw/zinc/91/40/43/701914043.db2.gz DIOAIHDBWPLOAK-INIZCTEOSA-N 2 1 324.469 1.300 20 30 DDEDMP C=CCN1CCN(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000840016501 701914045 /nfs/dbraw/zinc/91/40/45/701914045.db2.gz DIOAIHDBWPLOAK-INIZCTEOSA-N 2 1 324.469 1.300 20 30 DDEDMP C#CC[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000843423809 702878574 /nfs/dbraw/zinc/87/85/74/702878574.db2.gz KDJVBXADTIWCTE-MRXNPFEDSA-N 2 1 313.449 1.464 20 30 DDEDMP C#CC[C@@H]1CCC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000843423809 702878577 /nfs/dbraw/zinc/87/85/77/702878577.db2.gz KDJVBXADTIWCTE-MRXNPFEDSA-N 2 1 313.449 1.464 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000879579465 706726182 /nfs/dbraw/zinc/72/61/82/706726182.db2.gz MLZLHABWVQMTJB-IKGGRYGDSA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000879579465 706726185 /nfs/dbraw/zinc/72/61/85/706726185.db2.gz MLZLHABWVQMTJB-IKGGRYGDSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000879579465 706726189 /nfs/dbraw/zinc/72/61/89/706726189.db2.gz MLZLHABWVQMTJB-IKGGRYGDSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000879579465 706726192 /nfs/dbraw/zinc/72/61/92/706726192.db2.gz MLZLHABWVQMTJB-IKGGRYGDSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]=C(NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)NC1CC1 ZINC000849044824 703614738 /nfs/dbraw/zinc/61/47/38/703614738.db2.gz HJADXKCJRUDRGY-AWEZNQCLSA-N 2 1 321.494 1.364 20 30 DDEDMP C[NH+]=C(NC[C@H](c1cccs1)N1CC[NH+](C)CC1)NC1CC1 ZINC000849044825 703614871 /nfs/dbraw/zinc/61/48/71/703614871.db2.gz HJADXKCJRUDRGY-CQSZACIVSA-N 2 1 321.494 1.364 20 30 DDEDMP C#CCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823841888 705327305 /nfs/dbraw/zinc/32/73/05/705327305.db2.gz TXNJTWZEAHOOFY-UHFFFAOYSA-N 2 1 324.432 1.834 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000884408192 708284622 /nfs/dbraw/zinc/28/46/22/708284622.db2.gz ZJCXCOYSHYVWAU-HNNXBMFYSA-N 2 1 311.389 1.231 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000884408192 708284625 /nfs/dbraw/zinc/28/46/25/708284625.db2.gz ZJCXCOYSHYVWAU-HNNXBMFYSA-N 2 1 311.389 1.231 20 30 DDEDMP C#CCN(C(=O)NCC[N@@H+]1CCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000897519685 708361163 /nfs/dbraw/zinc/36/11/63/708361163.db2.gz UDFDONXWPFKEML-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000890371457 709842913 /nfs/dbraw/zinc/84/29/13/709842913.db2.gz VVAQXMKVDWVPCC-IAGOWNOFSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000890371457 709842918 /nfs/dbraw/zinc/84/29/18/709842918.db2.gz VVAQXMKVDWVPCC-IAGOWNOFSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000890371457 709842924 /nfs/dbraw/zinc/84/29/24/709842924.db2.gz VVAQXMKVDWVPCC-IAGOWNOFSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000890371457 709842929 /nfs/dbraw/zinc/84/29/29/709842929.db2.gz VVAQXMKVDWVPCC-IAGOWNOFSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)C1 ZINC000896489430 711732047 /nfs/dbraw/zinc/73/20/47/711732047.db2.gz OELJODVBCGSMJY-QGZVFWFLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH2+]C3CCC3)CC2)C1 ZINC000896489430 711732048 /nfs/dbraw/zinc/73/20/48/711732048.db2.gz OELJODVBCGSMJY-QGZVFWFLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CCN(C(=O)NC[C@@H]1CCC[N@@H+]1CCC)C1CC[NH+](C)CC1 ZINC000922466217 714062359 /nfs/dbraw/zinc/06/23/59/714062359.db2.gz JHPQTMZMMAZMDL-KRWDZBQOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963946393 717953146 /nfs/dbraw/zinc/95/31/46/717953146.db2.gz ADGGCHXGDKAWBV-APUKJBRXSA-N 2 1 317.477 1.900 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957642520 715981350 /nfs/dbraw/zinc/98/13/50/715981350.db2.gz SNGGFOCDEFIWEE-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961787494 717207799 /nfs/dbraw/zinc/20/77/99/717207799.db2.gz JDTRSGZMWRVRLA-PIIMJCKOSA-N 2 1 313.445 1.637 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C[C@H]1C ZINC000947333473 719125501 /nfs/dbraw/zinc/12/55/01/719125501.db2.gz FNXFQBQELPAINS-CABCVRRESA-N 2 1 314.433 1.364 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857483 719291173 /nfs/dbraw/zinc/29/11/73/719291173.db2.gz LZMUFAPNFGUFOK-GDBMZVCRSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC000947857483 719291174 /nfs/dbraw/zinc/29/11/74/719291174.db2.gz LZMUFAPNFGUFOK-GDBMZVCRSA-N 2 1 323.400 1.483 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378034 719474239 /nfs/dbraw/zinc/47/42/39/719474239.db2.gz PLJLWZXCESJXFX-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553705 719662293 /nfs/dbraw/zinc/66/22/93/719662293.db2.gz OPMVFWLTZITGPV-GOEBONIOSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553705 719662296 /nfs/dbraw/zinc/66/22/96/719662296.db2.gz OPMVFWLTZITGPV-GOEBONIOSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719859 720908068 /nfs/dbraw/zinc/90/80/68/720908068.db2.gz WGMDZIDDLFCICN-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719859 720908071 /nfs/dbraw/zinc/90/80/71/720908071.db2.gz WGMDZIDDLFCICN-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023559766 735312718 /nfs/dbraw/zinc/31/27/18/735312718.db2.gz DYKDHMYOUKWQTM-HNNXBMFYSA-N 2 1 317.433 1.806 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC001023761445 735449224 /nfs/dbraw/zinc/44/92/24/735449224.db2.gz ACTZHYLQYQTODQ-HNNXBMFYSA-N 2 1 309.429 1.129 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027635139 738492662 /nfs/dbraw/zinc/49/26/62/738492662.db2.gz SKDDYPCGWXWISN-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCCNC(=O)Cc2cnc[nH]2)cc1F ZINC001167355484 733282200 /nfs/dbraw/zinc/28/22/00/733282200.db2.gz LCPPUDFPDYOHDU-UHFFFAOYSA-N 2 1 315.352 1.259 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230011 733315317 /nfs/dbraw/zinc/31/53/17/733315317.db2.gz PCWRVZPFWACILV-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230011 733315322 /nfs/dbraw/zinc/31/53/22/733315322.db2.gz PCWRVZPFWACILV-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663730 733417461 /nfs/dbraw/zinc/41/74/61/733417461.db2.gz DRQDEPQGSDRIPY-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413355 735218756 /nfs/dbraw/zinc/21/87/56/735218756.db2.gz DAQDXIRVQGCZAK-JKSUJKDBSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023413355 735218760 /nfs/dbraw/zinc/21/87/60/735218760.db2.gz DAQDXIRVQGCZAK-JKSUJKDBSA-N 2 1 314.433 1.612 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001027976568 738895972 /nfs/dbraw/zinc/89/59/72/738895972.db2.gz DDUNGTHBGLGLAN-CABCVRRESA-N 2 1 300.406 1.049 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750596 736065648 /nfs/dbraw/zinc/06/56/48/736065648.db2.gz VLLIWIMYYMGZBY-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469463 736706673 /nfs/dbraw/zinc/70/66/73/736706673.db2.gz PIJFDMWXXXYJDV-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001038367453 737452577 /nfs/dbraw/zinc/45/25/77/737452577.db2.gz MCFDNZVBHVBLLY-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008317826 737508685 /nfs/dbraw/zinc/50/86/85/737508685.db2.gz XKYFTIFQRLGXAY-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008317826 737508688 /nfs/dbraw/zinc/50/86/88/737508688.db2.gz XKYFTIFQRLGXAY-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001026550619 737655362 /nfs/dbraw/zinc/65/53/62/737655362.db2.gz PYDLFSBPAFVNGV-QQFBHYJXSA-N 2 1 316.449 1.957 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444080 738298243 /nfs/dbraw/zinc/29/82/43/738298243.db2.gz QFRVPNQQOSAOIB-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444080 738298244 /nfs/dbraw/zinc/29/82/44/738298244.db2.gz QFRVPNQQOSAOIB-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027979763 738900876 /nfs/dbraw/zinc/90/08/76/738900876.db2.gz ABXOOSRZXWZUSU-LSDHHAIUSA-N 2 1 302.422 1.602 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203562 739155492 /nfs/dbraw/zinc/15/54/92/739155492.db2.gz XBGGGQRWYNEHMD-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](OC)C1 ZINC001213929677 739206223 /nfs/dbraw/zinc/20/62/23/739206223.db2.gz GTOYBDNUNKEHDU-BZUAXINKSA-N 2 1 311.470 1.497 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929677 739206224 /nfs/dbraw/zinc/20/62/24/739206224.db2.gz GTOYBDNUNKEHDU-BZUAXINKSA-N 2 1 311.470 1.497 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](OC)C1 ZINC001213929677 739206225 /nfs/dbraw/zinc/20/62/25/739206225.db2.gz GTOYBDNUNKEHDU-BZUAXINKSA-N 2 1 311.470 1.497 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001028333827 739369620 /nfs/dbraw/zinc/36/96/20/739369620.db2.gz RNLXUSWIUBFDCO-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC(=C)C)CC1 ZINC001028334230 739370077 /nfs/dbraw/zinc/37/00/77/739370077.db2.gz YJBUDYXTTOAAKH-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766599 740011899 /nfs/dbraw/zinc/01/18/99/740011899.db2.gz WPSXDCHBXRNOFR-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766599 740011905 /nfs/dbraw/zinc/01/19/05/740011905.db2.gz WPSXDCHBXRNOFR-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799996 740057477 /nfs/dbraw/zinc/05/74/77/740057477.db2.gz MKZVLGYWOMAJKW-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799996 740057482 /nfs/dbraw/zinc/05/74/82/740057482.db2.gz MKZVLGYWOMAJKW-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805309 740063308 /nfs/dbraw/zinc/06/33/08/740063308.db2.gz MYTMLDRACRRPII-QGZVFWFLSA-N 2 1 313.445 1.476 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172875 741093182 /nfs/dbraw/zinc/09/31/82/741093182.db2.gz IHYBKVKPMBXWEL-CABCVRRESA-N 2 1 314.433 1.728 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172875 741093184 /nfs/dbraw/zinc/09/31/84/741093184.db2.gz IHYBKVKPMBXWEL-CABCVRRESA-N 2 1 314.433 1.728 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001088324859 741387087 /nfs/dbraw/zinc/38/70/87/741387087.db2.gz BOTAALQWLDCOEA-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264324 742286483 /nfs/dbraw/zinc/28/64/83/742286483.db2.gz NQESWLBHODJIEA-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264324 742286485 /nfs/dbraw/zinc/28/64/85/742286485.db2.gz NQESWLBHODJIEA-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040264324 742286487 /nfs/dbraw/zinc/28/64/87/742286487.db2.gz NQESWLBHODJIEA-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161467 742579737 /nfs/dbraw/zinc/57/97/37/742579737.db2.gz OEWVTJNSYUMVEL-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161467 742579740 /nfs/dbraw/zinc/57/97/40/742579740.db2.gz OEWVTJNSYUMVEL-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161467 742579743 /nfs/dbraw/zinc/57/97/43/742579743.db2.gz OEWVTJNSYUMVEL-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040394668 743493033 /nfs/dbraw/zinc/49/30/33/743493033.db2.gz KKLLERCXRXJKKU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040394668 743493035 /nfs/dbraw/zinc/49/30/35/743493035.db2.gz KKLLERCXRXJKKU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040394668 743493040 /nfs/dbraw/zinc/49/30/40/743493040.db2.gz KKLLERCXRXJKKU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182589513 743671865 /nfs/dbraw/zinc/67/18/65/743671865.db2.gz GYRZKQDBLYTLBX-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089930292 751859267 /nfs/dbraw/zinc/85/92/67/751859267.db2.gz ZADVHBOGYIPBFD-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089930292 751859276 /nfs/dbraw/zinc/85/92/76/751859276.db2.gz ZADVHBOGYIPBFD-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089930292 751859289 /nfs/dbraw/zinc/85/92/89/751859289.db2.gz ZADVHBOGYIPBFD-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185683600 744266599 /nfs/dbraw/zinc/26/65/99/744266599.db2.gz YHDWVMLLNUTLSP-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001099110976 744600726 /nfs/dbraw/zinc/60/07/26/744600726.db2.gz NHIDNHXZVGSBGL-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992121664 744613985 /nfs/dbraw/zinc/61/39/85/744613985.db2.gz XISQWIADHPCLLG-JZXOWHBKSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992121664 744613988 /nfs/dbraw/zinc/61/39/88/744613988.db2.gz XISQWIADHPCLLG-JZXOWHBKSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992121664 744613990 /nfs/dbraw/zinc/61/39/90/744613990.db2.gz XISQWIADHPCLLG-JZXOWHBKSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992121664 744613992 /nfs/dbraw/zinc/61/39/92/744613992.db2.gz XISQWIADHPCLLG-JZXOWHBKSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212659 744676314 /nfs/dbraw/zinc/67/63/14/744676314.db2.gz LVYLWEDMIZVWQJ-DOTOQJQBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212659 744676315 /nfs/dbraw/zinc/67/63/15/744676315.db2.gz LVYLWEDMIZVWQJ-DOTOQJQBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212659 744676316 /nfs/dbraw/zinc/67/63/16/744676316.db2.gz LVYLWEDMIZVWQJ-DOTOQJQBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189426536 744894136 /nfs/dbraw/zinc/89/41/36/744894136.db2.gz YIRUTCKTQXCYRJ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189426536 744894138 /nfs/dbraw/zinc/89/41/38/744894138.db2.gz YIRUTCKTQXCYRJ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992487745 744914070 /nfs/dbraw/zinc/91/40/70/744914070.db2.gz MFGVIQQKAGAINR-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992487745 744914071 /nfs/dbraw/zinc/91/40/71/744914071.db2.gz MFGVIQQKAGAINR-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205464131 744975975 /nfs/dbraw/zinc/97/59/75/744975975.db2.gz IQCSEPIJTCMITN-SFHVURJKSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC000992778539 745193456 /nfs/dbraw/zinc/19/34/56/745193456.db2.gz ZKNSQEYHIKYDLP-HRCADAONSA-N 2 1 302.422 1.594 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900076 745355075 /nfs/dbraw/zinc/35/50/75/745355075.db2.gz NSLVJKHDUWDHGY-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900076 745355080 /nfs/dbraw/zinc/35/50/80/745355080.db2.gz NSLVJKHDUWDHGY-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900076 745355082 /nfs/dbraw/zinc/35/50/82/745355082.db2.gz NSLVJKHDUWDHGY-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190900076 745355087 /nfs/dbraw/zinc/35/50/87/745355087.db2.gz NSLVJKHDUWDHGY-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901109 745356065 /nfs/dbraw/zinc/35/60/65/745356065.db2.gz UYNCDUOOYBUESS-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901109 745356068 /nfs/dbraw/zinc/35/60/68/745356068.db2.gz UYNCDUOOYBUESS-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901109 745356071 /nfs/dbraw/zinc/35/60/71/745356071.db2.gz UYNCDUOOYBUESS-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901109 745356072 /nfs/dbraw/zinc/35/60/72/745356072.db2.gz UYNCDUOOYBUESS-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192656759 745847582 /nfs/dbraw/zinc/84/75/82/745847582.db2.gz VHPFXQQZANMZIL-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001192778135 745887694 /nfs/dbraw/zinc/88/76/94/745887694.db2.gz JKTWLULKSBREJK-ZBFHGGJFSA-N 2 1 320.437 1.324 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001192778135 745887703 /nfs/dbraw/zinc/88/77/03/745887703.db2.gz JKTWLULKSBREJK-ZBFHGGJFSA-N 2 1 320.437 1.324 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715581 745956984 /nfs/dbraw/zinc/95/69/84/745956984.db2.gz FFROJVTYTFKUFL-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993525579 746196721 /nfs/dbraw/zinc/19/67/21/746196721.db2.gz FIIWJNNGZFYZFI-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994005420 746417616 /nfs/dbraw/zinc/41/76/16/746417616.db2.gz LSPOPDFZUFWQKG-MAUKXSAKSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=S)NCCC[NH+](CC)CC ZINC001196712015 746940156 /nfs/dbraw/zinc/94/01/56/746940156.db2.gz LRXQVJMNWXHZIX-HNNXBMFYSA-N 2 1 312.527 1.833 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495870 746957381 /nfs/dbraw/zinc/95/73/81/746957381.db2.gz RLQASACYHLPFEM-HZPDHXFCSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495870 746957386 /nfs/dbraw/zinc/95/73/86/746957386.db2.gz RLQASACYHLPFEM-HZPDHXFCSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495870 746957389 /nfs/dbraw/zinc/95/73/89/746957389.db2.gz RLQASACYHLPFEM-HZPDHXFCSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495870 746957394 /nfs/dbraw/zinc/95/73/94/746957394.db2.gz RLQASACYHLPFEM-HZPDHXFCSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001196953955 747019764 /nfs/dbraw/zinc/01/97/64/747019764.db2.gz ZNAAJIICQMGQTQ-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673262 747360476 /nfs/dbraw/zinc/36/04/76/747360476.db2.gz CDXPDIHUJHNSSB-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616519 747470923 /nfs/dbraw/zinc/47/09/23/747470923.db2.gz JHLGJFAYWLOFOQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616519 747470926 /nfs/dbraw/zinc/47/09/26/747470926.db2.gz JHLGJFAYWLOFOQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616519 747470928 /nfs/dbraw/zinc/47/09/28/747470928.db2.gz JHLGJFAYWLOFOQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776636 747473476 /nfs/dbraw/zinc/47/34/76/747473476.db2.gz XWBNPFJRDBVXST-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)C[NH+](CC)CC)c1ccccc1OC ZINC001198940765 747655082 /nfs/dbraw/zinc/65/50/82/747655082.db2.gz SJWCHDSJCSLISJ-INIZCTEOSA-N 2 1 317.433 1.417 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007614990 752240301 /nfs/dbraw/zinc/24/03/01/752240301.db2.gz ATWWPTYJODZTQD-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007614990 752240308 /nfs/dbraw/zinc/24/03/08/752240308.db2.gz ATWWPTYJODZTQD-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658515 748317808 /nfs/dbraw/zinc/31/78/08/748317808.db2.gz PDIXXCZQECZIPX-CVEARBPZSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143882 748536511 /nfs/dbraw/zinc/53/65/11/748536511.db2.gz NEVROIIHDMWEEK-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143882 748536516 /nfs/dbraw/zinc/53/65/16/748536516.db2.gz NEVROIIHDMWEEK-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143882 748536524 /nfs/dbraw/zinc/53/65/24/748536524.db2.gz NEVROIIHDMWEEK-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202145105 748696625 /nfs/dbraw/zinc/69/66/25/748696625.db2.gz SLGJMWUBTJIYNY-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256293 749061365 /nfs/dbraw/zinc/06/13/65/749061365.db2.gz RLXADLAIWPESBX-INIZCTEOSA-N 2 1 323.400 1.437 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001033269732 749098386 /nfs/dbraw/zinc/09/83/86/749098386.db2.gz VAABYWHKLHHFDK-OAHLLOKOSA-N 2 1 314.433 1.318 20 30 DDEDMP CC#CCN1CC[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001033269732 749098395 /nfs/dbraw/zinc/09/83/95/749098395.db2.gz VAABYWHKLHHFDK-OAHLLOKOSA-N 2 1 314.433 1.318 20 30 DDEDMP C=C(Cl)CN[C@H]1CN(C(=O)CCc2ncc[nH]2)CC1(C)C ZINC000995732466 749200047 /nfs/dbraw/zinc/20/00/47/749200047.db2.gz HFDTWZYIYJGEHV-LBPRGKRZSA-N 2 1 310.829 1.921 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712068 749228218 /nfs/dbraw/zinc/22/82/18/749228218.db2.gz QSUNPAWYDLSLIV-HOCLYGCPSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014712068 749228224 /nfs/dbraw/zinc/22/82/24/749228224.db2.gz QSUNPAWYDLSLIV-HOCLYGCPSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014712068 749228227 /nfs/dbraw/zinc/22/82/27/749228227.db2.gz QSUNPAWYDLSLIV-HOCLYGCPSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191900 749423604 /nfs/dbraw/zinc/42/36/04/749423604.db2.gz WMEVSVLLCGBLGO-GJZGRUSLSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191900 749423609 /nfs/dbraw/zinc/42/36/09/749423609.db2.gz WMEVSVLLCGBLGO-GJZGRUSLSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996203472 749434746 /nfs/dbraw/zinc/43/47/46/749434746.db2.gz HUJNMKJTLDPQFL-HOCLYGCPSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033836085 749960160 /nfs/dbraw/zinc/96/01/60/749960160.db2.gz LDAZTSDDJHDELO-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855163 749993185 /nfs/dbraw/zinc/99/31/85/749993185.db2.gz HRDKQUNJUYBPTJ-JKSUJKDBSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855163 749993186 /nfs/dbraw/zinc/99/31/86/749993186.db2.gz HRDKQUNJUYBPTJ-JKSUJKDBSA-N 2 1 314.433 1.707 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609382 750233766 /nfs/dbraw/zinc/23/37/66/750233766.db2.gz PVPBARYZWKTJKR-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609382 750233771 /nfs/dbraw/zinc/23/37/71/750233771.db2.gz PVPBARYZWKTJKR-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609382 750233774 /nfs/dbraw/zinc/23/37/74/750233774.db2.gz PVPBARYZWKTJKR-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005496332 750251965 /nfs/dbraw/zinc/25/19/65/750251965.db2.gz HXEQOUYWGGSYRK-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634049 750280957 /nfs/dbraw/zinc/28/09/57/750280957.db2.gz IBBQQWXDQKHNFW-SJLPKXTDSA-N 2 1 314.433 1.576 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634049 750280963 /nfs/dbraw/zinc/28/09/63/750280963.db2.gz IBBQQWXDQKHNFW-SJLPKXTDSA-N 2 1 314.433 1.576 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001034046655 750314497 /nfs/dbraw/zinc/31/44/97/750314497.db2.gz TXCSHVBQAXWKFQ-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC(C)C)C2)CC1 ZINC001034538500 750541708 /nfs/dbraw/zinc/54/17/08/750541708.db2.gz NKAASXGNPXPCRE-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039460552 762052853 /nfs/dbraw/zinc/05/28/53/762052853.db2.gz UZXXTCSDABGJAA-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460552 762052864 /nfs/dbraw/zinc/05/28/64/762052864.db2.gz UZXXTCSDABGJAA-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001039460552 762052874 /nfs/dbraw/zinc/05/28/74/762052874.db2.gz UZXXTCSDABGJAA-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001034653581 750632823 /nfs/dbraw/zinc/63/28/23/750632823.db2.gz NMPMUFVGKGKORE-VGWMRTNUSA-N 2 1 307.438 1.053 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089905155 750702024 /nfs/dbraw/zinc/70/20/24/750702024.db2.gz HCBFRJLJYRHLTN-XSLAGTTESA-N 2 1 315.461 1.274 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114563727 750735643 /nfs/dbraw/zinc/73/56/43/750735643.db2.gz YVRYINNXKJCYBF-MKVSYHDVSA-N 2 1 302.422 1.593 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114563727 750735645 /nfs/dbraw/zinc/73/56/45/750735645.db2.gz YVRYINNXKJCYBF-MKVSYHDVSA-N 2 1 302.422 1.593 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034712131 750758083 /nfs/dbraw/zinc/75/80/83/750758083.db2.gz AIIRUUDATWMEHO-BRWVUGGUSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034712131 750758086 /nfs/dbraw/zinc/75/80/86/750758086.db2.gz AIIRUUDATWMEHO-BRWVUGGUSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000997531976 751070184 /nfs/dbraw/zinc/07/01/84/751070184.db2.gz WZNNFADHGDMGIT-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000997531976 751070195 /nfs/dbraw/zinc/07/01/95/751070195.db2.gz WZNNFADHGDMGIT-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008279237 752650688 /nfs/dbraw/zinc/65/06/88/752650688.db2.gz QSAWTNGYFLWEIC-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001008279237 752650694 /nfs/dbraw/zinc/65/06/94/752650694.db2.gz QSAWTNGYFLWEIC-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008279237 752650700 /nfs/dbraw/zinc/65/07/00/752650700.db2.gz QSAWTNGYFLWEIC-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008279237 752650704 /nfs/dbraw/zinc/65/07/04/752650704.db2.gz QSAWTNGYFLWEIC-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000999672958 753079943 /nfs/dbraw/zinc/07/99/43/753079943.db2.gz SDPADZLOAKEDNA-JCYILVPMSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005891560 753321067 /nfs/dbraw/zinc/32/10/67/753321067.db2.gz PIUSFIHFBNCSQT-HNNXBMFYSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)C[N@@H+](CCCC)CCO1 ZINC001108004296 753483722 /nfs/dbraw/zinc/48/37/22/753483722.db2.gz QDUQPGQVBZTANI-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CCCC)CCO1 ZINC001108004296 753483728 /nfs/dbraw/zinc/48/37/28/753483728.db2.gz QDUQPGQVBZTANI-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115297516 762417078 /nfs/dbraw/zinc/41/70/78/762417078.db2.gz GCPNKJGZISJTEF-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446108 755922542 /nfs/dbraw/zinc/92/25/42/755922542.db2.gz BDNGSIICDZJPOA-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080446108 755922543 /nfs/dbraw/zinc/92/25/43/755922543.db2.gz BDNGSIICDZJPOA-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015213893 756173067 /nfs/dbraw/zinc/17/30/67/756173067.db2.gz AMZNFIUNPDYAIP-AWEZNQCLSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040295863 762480231 /nfs/dbraw/zinc/48/02/31/762480231.db2.gz IXESSUMUWGMWLA-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040295863 762480236 /nfs/dbraw/zinc/48/02/36/762480236.db2.gz IXESSUMUWGMWLA-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015971067 756687228 /nfs/dbraw/zinc/68/72/28/756687228.db2.gz YMTYSAKWGYYNLN-KRWDZBQOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219074 756988617 /nfs/dbraw/zinc/98/86/17/756988617.db2.gz RTAWFIBZNGDCOZ-KBXIAJHMSA-N 2 1 300.406 1.668 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001097219074 756988621 /nfs/dbraw/zinc/98/86/21/756988621.db2.gz RTAWFIBZNGDCOZ-KBXIAJHMSA-N 2 1 300.406 1.668 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001097323080 757091204 /nfs/dbraw/zinc/09/12/04/757091204.db2.gz RUHZTCZZBBJEEL-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001097323080 757091210 /nfs/dbraw/zinc/09/12/10/757091210.db2.gz RUHZTCZZBBJEEL-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323080 757091218 /nfs/dbraw/zinc/09/12/18/757091218.db2.gz RUHZTCZZBBJEEL-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001097323080 757091226 /nfs/dbraw/zinc/09/12/26/757091226.db2.gz RUHZTCZZBBJEEL-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001016541214 757145470 /nfs/dbraw/zinc/14/54/70/757145470.db2.gz XMBQWIOSVPDJKT-KGLIPLIRSA-N 2 1 311.857 1.804 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001084450379 757572527 /nfs/dbraw/zinc/57/25/27/757572527.db2.gz GTMZIPOMMPUAFA-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040528975 762579502 /nfs/dbraw/zinc/57/95/02/762579502.db2.gz MWXDRIIWCDDELY-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873363 757910460 /nfs/dbraw/zinc/91/04/60/757910460.db2.gz OTXLBAWIXCEHMP-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853342 757982724 /nfs/dbraw/zinc/98/27/24/757982724.db2.gz JKTRVFAWNNKMND-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084853342 757982728 /nfs/dbraw/zinc/98/27/28/757982728.db2.gz JKTRVFAWNNKMND-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017556228 758024198 /nfs/dbraw/zinc/02/41/98/758024198.db2.gz DFSQZSWWIPWLCO-BBWFWOEESA-N 2 1 303.450 1.580 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017556228 758024203 /nfs/dbraw/zinc/02/42/03/758024203.db2.gz DFSQZSWWIPWLCO-BBWFWOEESA-N 2 1 303.450 1.580 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053506666 758512146 /nfs/dbraw/zinc/51/21/46/758512146.db2.gz MCBFIQPLZCGHSF-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053506666 758512147 /nfs/dbraw/zinc/51/21/47/758512147.db2.gz MCBFIQPLZCGHSF-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001018175949 758602453 /nfs/dbraw/zinc/60/24/53/758602453.db2.gz CFQPSIXYOVYUHI-XDNAFOTISA-N 2 1 317.477 1.805 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054227313 759315521 /nfs/dbraw/zinc/31/55/21/759315521.db2.gz GUSOBTCFSSOVMV-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816736 760298012 /nfs/dbraw/zinc/29/80/12/760298012.db2.gz FJNPXFCUFMSNAC-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085816736 760298021 /nfs/dbraw/zinc/29/80/21/760298021.db2.gz FJNPXFCUFMSNAC-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC(=C)C)CC1 ZINC001039041920 761682110 /nfs/dbraw/zinc/68/21/10/761682110.db2.gz JPHUSCFFEZWMOG-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050067829 763084526 /nfs/dbraw/zinc/08/45/26/763084526.db2.gz UARFPSZEJQARNA-HRCADAONSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050067829 763084530 /nfs/dbraw/zinc/08/45/30/763084530.db2.gz UARFPSZEJQARNA-HRCADAONSA-N 2 1 312.417 1.317 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624552 763184115 /nfs/dbraw/zinc/18/41/15/763184115.db2.gz BCWMRMOHXOIAKV-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041672982 763213414 /nfs/dbraw/zinc/21/34/14/763213414.db2.gz SDIGIWRMTXSBHK-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041790775 763336039 /nfs/dbraw/zinc/33/60/39/763336039.db2.gz BEMYGNPUJIHOJU-GOSISDBHSA-N 2 1 314.433 1.872 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041790775 763336044 /nfs/dbraw/zinc/33/60/44/763336044.db2.gz BEMYGNPUJIHOJU-GOSISDBHSA-N 2 1 314.433 1.872 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050544639 763735962 /nfs/dbraw/zinc/73/59/62/763735962.db2.gz RGELTPNMUHRUJQ-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050550419 763743737 /nfs/dbraw/zinc/74/37/37/763743737.db2.gz JZYOWVYQCDGGTN-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001050662508 763884498 /nfs/dbraw/zinc/88/44/98/763884498.db2.gz IVZKHVKTWJTATI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664943 763890789 /nfs/dbraw/zinc/89/07/89/763890789.db2.gz TULIUNGZABBMEW-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050754039 764002669 /nfs/dbraw/zinc/00/26/69/764002669.db2.gz NQXLCGNMKWCRTA-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578481 764423475 /nfs/dbraw/zinc/42/34/75/764423475.db2.gz QSNTWHUHRCSFSG-BQFCYCMXSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704187 768272217 /nfs/dbraw/zinc/27/22/17/768272217.db2.gz SCYPDBBSBMSKLJ-WMZOPIPTSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704187 768272221 /nfs/dbraw/zinc/27/22/21/768272221.db2.gz SCYPDBBSBMSKLJ-WMZOPIPTSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704187 768272224 /nfs/dbraw/zinc/27/22/24/768272224.db2.gz SCYPDBBSBMSKLJ-WMZOPIPTSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131696889 768278006 /nfs/dbraw/zinc/27/80/06/768278006.db2.gz CJROFDDXIKAEPS-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696889 768278009 /nfs/dbraw/zinc/27/80/09/768278009.db2.gz CJROFDDXIKAEPS-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131696889 768278012 /nfs/dbraw/zinc/27/80/12/768278012.db2.gz CJROFDDXIKAEPS-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001052395383 765785423 /nfs/dbraw/zinc/78/54/23/765785423.db2.gz RDFOEBGEXRCCQT-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395383 765785425 /nfs/dbraw/zinc/78/54/25/765785425.db2.gz RDFOEBGEXRCCQT-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001052395383 765785429 /nfs/dbraw/zinc/78/54/29/765785429.db2.gz RDFOEBGEXRCCQT-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425927 765814893 /nfs/dbraw/zinc/81/48/93/765814893.db2.gz HJGSMEWOSFLWLT-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425927 765814899 /nfs/dbraw/zinc/81/48/99/765814899.db2.gz HJGSMEWOSFLWLT-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425927 765814906 /nfs/dbraw/zinc/81/49/06/765814906.db2.gz HJGSMEWOSFLWLT-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447832 765838146 /nfs/dbraw/zinc/83/81/46/765838146.db2.gz NHFCSJBWSVIDBN-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447832 765838152 /nfs/dbraw/zinc/83/81/52/765838152.db2.gz NHFCSJBWSVIDBN-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001046323548 767421360 /nfs/dbraw/zinc/42/13/60/767421360.db2.gz OCDYWRCNMZLUNK-AEFFLSMTSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046377315 767487839 /nfs/dbraw/zinc/48/78/39/767487839.db2.gz IKONXVYTDNOARE-RHSMWYFYSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046377315 767487845 /nfs/dbraw/zinc/48/78/45/767487845.db2.gz IKONXVYTDNOARE-RHSMWYFYSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046478167 767612514 /nfs/dbraw/zinc/61/25/14/767612514.db2.gz XJLRHYUKQZXULY-GOSISDBHSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501437 767633499 /nfs/dbraw/zinc/63/34/99/767633499.db2.gz RJEOQCPASREXIT-AUCMRZJMSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501437 767633504 /nfs/dbraw/zinc/63/35/04/767633504.db2.gz RJEOQCPASREXIT-AUCMRZJMSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501437 767633505 /nfs/dbraw/zinc/63/35/05/767633505.db2.gz RJEOQCPASREXIT-AUCMRZJMSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046619956 767744797 /nfs/dbraw/zinc/74/47/97/767744797.db2.gz FMAQWULUYKKREU-PBHICJAKSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046619956 767744802 /nfs/dbraw/zinc/74/48/02/767744802.db2.gz FMAQWULUYKKREU-PBHICJAKSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407694 768457335 /nfs/dbraw/zinc/45/73/35/768457335.db2.gz MYFCMWXBDSYMID-IKGGRYGDSA-N 2 1 323.481 1.044 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407694 768457336 /nfs/dbraw/zinc/45/73/36/768457336.db2.gz MYFCMWXBDSYMID-IKGGRYGDSA-N 2 1 323.481 1.044 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407694 768457339 /nfs/dbraw/zinc/45/73/39/768457339.db2.gz MYFCMWXBDSYMID-IKGGRYGDSA-N 2 1 323.481 1.044 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC ZINC001048532672 769501510 /nfs/dbraw/zinc/50/15/10/769501510.db2.gz COSWCHCGLWVXIL-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001048532672 769501520 /nfs/dbraw/zinc/50/15/20/769501520.db2.gz COSWCHCGLWVXIL-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001048532672 769501528 /nfs/dbraw/zinc/50/15/28/769501528.db2.gz COSWCHCGLWVXIL-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC ZINC001048532672 769501535 /nfs/dbraw/zinc/50/15/35/769501535.db2.gz COSWCHCGLWVXIL-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562028 769534395 /nfs/dbraw/zinc/53/43/95/769534395.db2.gz IKUUBPZNJQSSES-IECFSIQFSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562028 769534405 /nfs/dbraw/zinc/53/44/05/769534405.db2.gz IKUUBPZNJQSSES-IECFSIQFSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562028 769534414 /nfs/dbraw/zinc/53/44/14/769534414.db2.gz IKUUBPZNJQSSES-IECFSIQFSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071605618 769704259 /nfs/dbraw/zinc/70/42/59/769704259.db2.gz BNBLFIFNHFYTMD-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071605618 769704267 /nfs/dbraw/zinc/70/42/67/769704267.db2.gz BNBLFIFNHFYTMD-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C[C@H]2C1 ZINC001048911015 770097654 /nfs/dbraw/zinc/09/76/54/770097654.db2.gz RFIHNPAQXKXKHF-IYBDPMFKSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048911015 770097661 /nfs/dbraw/zinc/09/76/61/770097661.db2.gz RFIHNPAQXKXKHF-IYBDPMFKSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001048911015 770097670 /nfs/dbraw/zinc/09/76/70/770097670.db2.gz RFIHNPAQXKXKHF-IYBDPMFKSA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049108439 770391497 /nfs/dbraw/zinc/39/14/97/770391497.db2.gz UNARZFUNAOWZJM-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049108439 770391509 /nfs/dbraw/zinc/39/15/09/770391509.db2.gz UNARZFUNAOWZJM-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049108439 770391521 /nfs/dbraw/zinc/39/15/21/770391521.db2.gz UNARZFUNAOWZJM-XWTMOSNGSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(Cl)C[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133918484 770455985 /nfs/dbraw/zinc/45/59/85/770455985.db2.gz VLSMKSRUURZKAY-UHFFFAOYSA-N 2 1 309.841 1.619 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478927 770909014 /nfs/dbraw/zinc/90/90/14/770909014.db2.gz VLULJXVLYMQBKY-RCCFBDPRSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134611807 771078188 /nfs/dbraw/zinc/07/81/88/771078188.db2.gz CENVDQWJEGJCBK-GJZGRUSLSA-N 2 1 311.470 1.546 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049761316 771140271 /nfs/dbraw/zinc/14/02/71/771140271.db2.gz HEPQBUOQIAUNKR-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134810333 771188690 /nfs/dbraw/zinc/18/86/90/771188690.db2.gz XSQVEUFDUUURGM-STQMWFEESA-N 2 1 308.426 1.799 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC)CC1 ZINC001049916953 771257307 /nfs/dbraw/zinc/25/73/07/771257307.db2.gz GNIQFIAIEPYSIE-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147646907 773189614 /nfs/dbraw/zinc/18/96/14/773189614.db2.gz INVXVDWUNALGQH-HNNXBMFYSA-N 2 1 309.429 1.224 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627534 773237058 /nfs/dbraw/zinc/23/70/58/773237058.db2.gz YSLCWWHPNHBKOX-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627534 773237061 /nfs/dbraw/zinc/23/70/61/773237061.db2.gz YSLCWWHPNHBKOX-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627534 773237063 /nfs/dbraw/zinc/23/70/63/773237063.db2.gz YSLCWWHPNHBKOX-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001147835527 773262257 /nfs/dbraw/zinc/26/22/57/773262257.db2.gz IRFBLFWIFFILLK-UHFFFAOYSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147835527 773262261 /nfs/dbraw/zinc/26/22/61/773262261.db2.gz IRFBLFWIFFILLK-UHFFFAOYSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)CC)C2)C1 ZINC001147835527 773262266 /nfs/dbraw/zinc/26/22/66/773262266.db2.gz IRFBLFWIFFILLK-UHFFFAOYSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677195 773345916 /nfs/dbraw/zinc/34/59/16/773345916.db2.gz LZLVUQVBIWUWPF-LMMKCTJWSA-N 2 1 317.477 1.685 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677200 773346580 /nfs/dbraw/zinc/34/65/80/773346580.db2.gz MBQIFMNCDPSNGG-LMMKCTJWSA-N 2 1 315.461 1.132 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907902 773709291 /nfs/dbraw/zinc/70/92/91/773709291.db2.gz GVRLWXCTSJRIHX-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676556 774215190 /nfs/dbraw/zinc/21/51/90/774215190.db2.gz DVEYTRVSJCMUPZ-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092676556 774215195 /nfs/dbraw/zinc/21/51/95/774215195.db2.gz DVEYTRVSJCMUPZ-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092913470 774301176 /nfs/dbraw/zinc/30/11/76/774301176.db2.gz KZDPJGYDILHJET-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092913470 774301186 /nfs/dbraw/zinc/30/11/86/774301186.db2.gz KZDPJGYDILHJET-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092913470 774301193 /nfs/dbraw/zinc/30/11/93/774301193.db2.gz KZDPJGYDILHJET-LTIDMASMSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)CC[C@@H]21 ZINC001036754153 774478960 /nfs/dbraw/zinc/47/89/60/774478960.db2.gz AXMGWGNJAVEDOL-QAPCUYQASA-N 2 1 322.412 1.812 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC=C)C[C@H]2C)CC1 ZINC001093223478 774535517 /nfs/dbraw/zinc/53/55/17/774535517.db2.gz ZTBNLAUKBPSTGV-NVXWUHKLSA-N 2 1 303.450 1.202 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794660 774642562 /nfs/dbraw/zinc/64/25/62/774642562.db2.gz ZDOBVBAIZWWTKM-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100077041 775650809 /nfs/dbraw/zinc/65/08/09/775650809.db2.gz WZWMKKIHGWMAGH-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904880 776081313 /nfs/dbraw/zinc/08/13/13/776081313.db2.gz YTODXACDIAYTSM-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171628929 776353918 /nfs/dbraw/zinc/35/39/18/776353918.db2.gz CYIWLTRUNKEJQK-AWEZNQCLSA-N 2 1 320.437 1.638 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100872639 776654156 /nfs/dbraw/zinc/65/41/56/776654156.db2.gz CIFSEMTYCUJRKC-QQFBHYJXSA-N 2 1 309.454 1.015 20 30 DDEDMP C=C(Cl)CN1C[C@@H](CNC(=O)Cc2cncn2C)[C@H](C)C1 ZINC001102514965 778179876 /nfs/dbraw/zinc/17/98/76/778179876.db2.gz WUEYHBCVZXPITQ-DGCLKSJQSA-N 2 1 310.829 1.399 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103004933 778550883 /nfs/dbraw/zinc/55/08/83/778550883.db2.gz GKOJWILGFIHHBB-ZJPYXAASSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103004933 778550885 /nfs/dbraw/zinc/55/08/85/778550885.db2.gz GKOJWILGFIHHBB-ZJPYXAASSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103004933 778550887 /nfs/dbraw/zinc/55/08/87/778550887.db2.gz GKOJWILGFIHHBB-ZJPYXAASSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001103755360 779031555 /nfs/dbraw/zinc/03/15/55/779031555.db2.gz DJYQKIVIYNKYJQ-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103755360 779031562 /nfs/dbraw/zinc/03/15/62/779031562.db2.gz DJYQKIVIYNKYJQ-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103755360 779031568 /nfs/dbraw/zinc/03/15/68/779031568.db2.gz DJYQKIVIYNKYJQ-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484352 779069087 /nfs/dbraw/zinc/06/90/87/779069087.db2.gz TWLGGQBHWFRTFI-DLBZAZTESA-N 2 1 305.466 1.760 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782480 779478963 /nfs/dbraw/zinc/47/89/63/779478963.db2.gz KYYJOUWQKSWZNY-SCTDSRPQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782480 779478968 /nfs/dbraw/zinc/47/89/68/779478968.db2.gz KYYJOUWQKSWZNY-SCTDSRPQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782480 779478971 /nfs/dbraw/zinc/47/89/71/779478971.db2.gz KYYJOUWQKSWZNY-SCTDSRPQSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170394 781797793 /nfs/dbraw/zinc/79/77/93/781797793.db2.gz LRZJCCILCQGVJP-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170394 781797803 /nfs/dbraw/zinc/79/78/03/781797803.db2.gz LRZJCCILCQGVJP-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267208668 837537655 /nfs/dbraw/zinc/53/76/55/837537655.db2.gz VFAMNQWEZIFYTH-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001282568837 836170701 /nfs/dbraw/zinc/17/07/01/836170701.db2.gz PJJJJYGWEZANRE-IRXDYDNUSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC001266411135 836220546 /nfs/dbraw/zinc/22/05/46/836220546.db2.gz NSNQFZWRENNYOM-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266466679 836303450 /nfs/dbraw/zinc/30/34/50/836303450.db2.gz SZNDVTKTNRCHNU-INIZCTEOSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266537469 836434288 /nfs/dbraw/zinc/43/42/88/836434288.db2.gz MHYAJSIXMIUIDG-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001347615835 836534443 /nfs/dbraw/zinc/53/44/43/836534443.db2.gz CFTTUJNUTWIJKG-UHFFFAOYSA-N 2 1 308.470 1.504 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266614753 836537453 /nfs/dbraw/zinc/53/74/53/836537453.db2.gz PJYHXSUDTLWBBE-KKUMJFAQSA-N 2 1 300.406 1.014 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266770584 836806634 /nfs/dbraw/zinc/80/66/34/836806634.db2.gz YWZVQNKHGNWYII-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC#Cc1ccccc1 ZINC001266939415 837086233 /nfs/dbraw/zinc/08/62/33/837086233.db2.gz HOIHNSSDDVRNRH-LZLYRXPVSA-N 2 1 313.445 1.473 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC2CCC2)C2CC2)CC1 ZINC001267338085 837854580 /nfs/dbraw/zinc/85/45/80/837854580.db2.gz OVIPYOWGDKDLMW-UHFFFAOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001267357966 837903199 /nfs/dbraw/zinc/90/31/99/837903199.db2.gz VDUOBTHOKYHELO-SJORKVTESA-N 2 1 317.433 1.340 20 30 DDEDMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001267357966 837903208 /nfs/dbraw/zinc/90/32/08/837903208.db2.gz VDUOBTHOKYHELO-SJORKVTESA-N 2 1 317.433 1.340 20 30 DDEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267600568 838408491 /nfs/dbraw/zinc/40/84/91/838408491.db2.gz QBFYSGSXJONBKO-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001267600568 838408494 /nfs/dbraw/zinc/40/84/94/838408494.db2.gz QBFYSGSXJONBKO-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001267600568 838408500 /nfs/dbraw/zinc/40/85/00/838408500.db2.gz QBFYSGSXJONBKO-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCCC1 ZINC001268374197 840077675 /nfs/dbraw/zinc/07/76/75/840077675.db2.gz OPWMSRBOTFSLFK-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCCC1 ZINC001268374197 840077684 /nfs/dbraw/zinc/07/76/84/840077684.db2.gz OPWMSRBOTFSLFK-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001268671003 840655347 /nfs/dbraw/zinc/65/53/47/840655347.db2.gz LCBXMDVVLGJVPJ-QGZVFWFLSA-N 2 1 315.461 1.864 20 30 DDEDMP COCC#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001268694189 840685129 /nfs/dbraw/zinc/68/51/29/840685129.db2.gz YGQBEMHTDCCMQJ-HNNXBMFYSA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001272111994 844622465 /nfs/dbraw/zinc/62/24/65/844622465.db2.gz YTKRREDNEOTEDL-HNNXBMFYSA-N 2 1 302.422 1.167 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001269349312 841551295 /nfs/dbraw/zinc/55/12/95/841551295.db2.gz RLNWFABBHOPFIN-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001269349312 841551303 /nfs/dbraw/zinc/55/13/03/841551303.db2.gz RLNWFABBHOPFIN-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001269761343 842017548 /nfs/dbraw/zinc/01/75/48/842017548.db2.gz ZAKMPBQFEAJGOM-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001272465982 846163835 /nfs/dbraw/zinc/16/38/35/846163835.db2.gz OLXZDEWPEILGHI-CVEARBPZSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCF)C1 ZINC001272465982 846163844 /nfs/dbraw/zinc/16/38/44/846163844.db2.gz OLXZDEWPEILGHI-CVEARBPZSA-N 2 1 309.429 1.272 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001155066639 861696699 /nfs/dbraw/zinc/69/66/99/861696699.db2.gz LYGWCBPTZJQPPZ-HZPDHXFCSA-N 2 1 311.470 1.049 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807699 847457581 /nfs/dbraw/zinc/45/75/81/847457581.db2.gz GAGYXOBFIWOPIU-SFHVURJKSA-N 2 1 314.433 1.885 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807699 847457587 /nfs/dbraw/zinc/45/75/87/847457587.db2.gz GAGYXOBFIWOPIU-SFHVURJKSA-N 2 1 314.433 1.885 20 30 DDEDMP C=CCN1CCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807690 847457664 /nfs/dbraw/zinc/45/76/64/847457664.db2.gz FOTDYVLZBMBWBH-UHFFFAOYSA-N 2 1 300.406 1.495 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)CC2)C1=O ZINC001272870186 847571923 /nfs/dbraw/zinc/57/19/23/847571923.db2.gz JYEWCPBLHDEIDB-LJQANCHMSA-N 2 1 319.493 1.912 20 30 DDEDMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001272870166 847572465 /nfs/dbraw/zinc/57/24/65/847572465.db2.gz JKBTXSPPIXHZKR-SFHVURJKSA-N 2 1 320.481 1.802 20 30 DDEDMP C=CCN1C[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273100674 847908683 /nfs/dbraw/zinc/90/86/83/847908683.db2.gz BFWPBRZAQRTPBV-GOSISDBHSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203232 848092446 /nfs/dbraw/zinc/09/24/46/848092446.db2.gz CNMMQKMDKNRIPD-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034216446 848123910 /nfs/dbraw/zinc/12/39/10/848123910.db2.gz HBMBJIVEIYGNGR-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216446 848123911 /nfs/dbraw/zinc/12/39/11/848123911.db2.gz HBMBJIVEIYGNGR-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216446 848123912 /nfs/dbraw/zinc/12/39/12/848123912.db2.gz HBMBJIVEIYGNGR-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364146 848415961 /nfs/dbraw/zinc/41/59/61/848415961.db2.gz RRXTVWBVBMEVPD-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364146 848415968 /nfs/dbraw/zinc/41/59/68/848415968.db2.gz RRXTVWBVBMEVPD-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364146 848415973 /nfs/dbraw/zinc/41/59/73/848415973.db2.gz RRXTVWBVBMEVPD-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364146 848415979 /nfs/dbraw/zinc/41/59/79/848415979.db2.gz RRXTVWBVBMEVPD-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3nc[nH]c32)C1 ZINC001034401916 848468292 /nfs/dbraw/zinc/46/82/92/848468292.db2.gz WXNRZOYAJNYCKZ-KGLIPLIRSA-N 2 1 302.422 1.986 20 30 DDEDMP C#CCN1CCC2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144455 848565774 /nfs/dbraw/zinc/56/57/74/848565774.db2.gz QCWMFGABXMDCIS-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001327257140 862003674 /nfs/dbraw/zinc/00/36/74/862003674.db2.gz CIGHOCGJHNHQGZ-QGZVFWFLSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001327257140 862003690 /nfs/dbraw/zinc/00/36/90/862003690.db2.gz CIGHOCGJHNHQGZ-QGZVFWFLSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[NH+](C)CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001327257140 862003707 /nfs/dbraw/zinc/00/37/07/862003707.db2.gz CIGHOCGJHNHQGZ-QGZVFWFLSA-N 2 1 311.445 1.612 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC001327326375 862063594 /nfs/dbraw/zinc/06/35/94/862063594.db2.gz OCWAIPILYHGMRM-JKSUJKDBSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150192110 862137210 /nfs/dbraw/zinc/13/72/10/862137210.db2.gz AJSDEDANYYQNDF-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001273789959 851350167 /nfs/dbraw/zinc/35/01/67/851350167.db2.gz NPUYIDIQRAPKSO-UHFFFAOYSA-N 2 1 316.449 1.966 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731066 862440207 /nfs/dbraw/zinc/44/02/07/862440207.db2.gz BSUDDFKTMOCHFO-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C[NH+](C)CCN1CCC12C[NH+](Cc1c[nH]c3cc(C#N)ccc13)C2 ZINC001275786591 853746508 /nfs/dbraw/zinc/74/65/08/853746508.db2.gz UOGUHCPGCUQHFC-UHFFFAOYSA-N 2 1 323.444 1.861 20 30 DDEDMP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccc4C#N)CC3)[C@@H]2C1 ZINC001275965519 854029681 /nfs/dbraw/zinc/02/96/81/854029681.db2.gz IHUQQRKWYRDIAN-IAGOWNOFSA-N 2 1 324.428 1.200 20 30 DDEDMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccccc4C#N)CC3)[C@@H]2C1 ZINC001275965519 854029691 /nfs/dbraw/zinc/02/96/91/854029691.db2.gz IHUQQRKWYRDIAN-IAGOWNOFSA-N 2 1 324.428 1.200 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001155994505 862618912 /nfs/dbraw/zinc/61/89/12/862618912.db2.gz WXLQSTBVSYCUEE-QGZVFWFLSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001328429294 862968885 /nfs/dbraw/zinc/96/88/85/862968885.db2.gz JMZQPRBHKYBDNK-AWEZNQCLSA-N 2 1 311.389 1.389 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156384075 862993744 /nfs/dbraw/zinc/99/37/44/862993744.db2.gz WTXLMCPDQYJDKR-CYBMUJFWSA-N 2 1 305.850 1.144 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)COCC[NH+](C)C ZINC001156384075 862993755 /nfs/dbraw/zinc/99/37/55/862993755.db2.gz WTXLMCPDQYJDKR-CYBMUJFWSA-N 2 1 305.850 1.144 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001073447075 858344175 /nfs/dbraw/zinc/34/41/75/858344175.db2.gz CZIAASQYGUYYAP-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001073447075 858344180 /nfs/dbraw/zinc/34/41/80/858344180.db2.gz CZIAASQYGUYYAP-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447075 858344186 /nfs/dbraw/zinc/34/41/86/858344186.db2.gz CZIAASQYGUYYAP-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001073447075 858344192 /nfs/dbraw/zinc/34/41/92/858344192.db2.gz CZIAASQYGUYYAP-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC001158228319 864501993 /nfs/dbraw/zinc/50/19/93/864501993.db2.gz ZYJJCSUXKAFPLV-QGZVFWFLSA-N 2 1 310.401 1.894 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001331285098 864989065 /nfs/dbraw/zinc/98/90/65/864989065.db2.gz PBLJEGGGJIJKQS-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001331285098 864989078 /nfs/dbraw/zinc/98/90/78/864989078.db2.gz PBLJEGGGJIJKQS-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccccc1 ZINC001160198154 865722673 /nfs/dbraw/zinc/72/26/73/865722673.db2.gz UYNSNTIGHZVANC-SFHVURJKSA-N 2 1 313.445 1.423 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCc1ccccc1 ZINC001160198154 865722681 /nfs/dbraw/zinc/72/26/81/865722681.db2.gz UYNSNTIGHZVANC-SFHVURJKSA-N 2 1 313.445 1.423 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCCC=C ZINC001160209714 865731175 /nfs/dbraw/zinc/73/11/75/865731175.db2.gz UJIVWEIGEJNKAJ-KRWDZBQOSA-N 2 1 305.466 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCCCCC=C ZINC001160209714 865731181 /nfs/dbraw/zinc/73/11/81/865731181.db2.gz UJIVWEIGEJNKAJ-KRWDZBQOSA-N 2 1 305.466 1.926 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332900229 866234382 /nfs/dbraw/zinc/23/43/82/866234382.db2.gz SUXVMNKZKVWFAR-CABCVRRESA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332900229 866234396 /nfs/dbraw/zinc/23/43/96/866234396.db2.gz SUXVMNKZKVWFAR-CABCVRRESA-N 2 1 311.470 1.404 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319748953 866268455 /nfs/dbraw/zinc/26/84/55/866268455.db2.gz BKGULTZFFAUHTP-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP COCC#CC[N@@H+]1CC=C(CCNC(=O)CCC[NH+](C)C)CC1 ZINC001161029000 866291339 /nfs/dbraw/zinc/29/13/39/866291339.db2.gz JLUPGXKBMYIRLT-UHFFFAOYSA-N 2 1 321.465 1.116 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001323061776 866305672 /nfs/dbraw/zinc/30/56/72/866305672.db2.gz DPPOJOSIHPWPLD-CRAIPNDOSA-N 2 1 323.456 1.707 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001161220160 866450929 /nfs/dbraw/zinc/45/09/29/866450929.db2.gz WRDQUFWWDBPIAC-UHFFFAOYSA-N 2 1 305.466 1.736 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161220160 866450937 /nfs/dbraw/zinc/45/09/37/866450937.db2.gz WRDQUFWWDBPIAC-UHFFFAOYSA-N 2 1 305.466 1.736 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001161220160 866450942 /nfs/dbraw/zinc/45/09/42/866450942.db2.gz WRDQUFWWDBPIAC-UHFFFAOYSA-N 2 1 305.466 1.736 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001324287413 867182212 /nfs/dbraw/zinc/18/22/12/867182212.db2.gz ZWKOJAFERNELAX-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001324864162 867587986 /nfs/dbraw/zinc/58/79/86/867587986.db2.gz HDJHCCNRPQZMCD-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001325053785 867723566 /nfs/dbraw/zinc/72/35/66/867723566.db2.gz KNPPHAZCIATTFU-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001325053785 867723559 /nfs/dbraw/zinc/72/35/59/867723559.db2.gz KNPPHAZCIATTFU-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325053785 867723574 /nfs/dbraw/zinc/72/35/74/867723574.db2.gz KNPPHAZCIATTFU-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325053785 867723582 /nfs/dbraw/zinc/72/35/82/867723582.db2.gz KNPPHAZCIATTFU-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001317383340 870749852 /nfs/dbraw/zinc/74/98/52/870749852.db2.gz CLHIYOYOGKWBHE-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP COCC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317505407 870941096 /nfs/dbraw/zinc/94/10/96/870941096.db2.gz LKATYKHCTRBYHX-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317505407 870941104 /nfs/dbraw/zinc/94/11/04/870941104.db2.gz LKATYKHCTRBYHX-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317376177 871255548 /nfs/dbraw/zinc/25/55/48/871255548.db2.gz OFTWEQKDUILVPN-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317376177 871255556 /nfs/dbraw/zinc/25/55/56/871255556.db2.gz OFTWEQKDUILVPN-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317376177 871255567 /nfs/dbraw/zinc/25/55/67/871255567.db2.gz OFTWEQKDUILVPN-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317677401 871389262 /nfs/dbraw/zinc/38/92/62/871389262.db2.gz OMYABLOLGNNSDQ-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001317685916 871407047 /nfs/dbraw/zinc/40/70/47/871407047.db2.gz MKBICWAXQVAUQR-GJZGRUSLSA-N 2 1 316.449 1.828 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001316755757 871997716 /nfs/dbraw/zinc/99/77/16/871997716.db2.gz MNXCVCIDMKYINX-SJORKVTESA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001318960857 872368409 /nfs/dbraw/zinc/36/84/09/872368409.db2.gz FVXPQWPJFYUYMM-WKILWMFISA-N 2 1 320.437 1.411 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001319332385 872585468 /nfs/dbraw/zinc/58/54/68/872585468.db2.gz MTOUPXOWKXSNLU-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001319332385 872585478 /nfs/dbraw/zinc/58/54/78/872585478.db2.gz MTOUPXOWKXSNLU-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc(C#N)cc3O)C2)C1 ZINC001276493737 872607608 /nfs/dbraw/zinc/60/76/08/872607608.db2.gz MQDSGEMEBBTZLQ-UHFFFAOYSA-N 2 1 314.433 1.333 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953591 872838436 /nfs/dbraw/zinc/83/84/36/872838436.db2.gz UVVNSCRKVRHZSA-GOSISDBHSA-N 2 1 313.445 1.751 20 30 DDEDMP C=CCOCc1nn(C)c2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435353 873267064 /nfs/dbraw/zinc/26/70/64/873267064.db2.gz MDKNWKDHFNTDMO-UHFFFAOYSA-N 2 1 304.438 1.480 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208005166 873737010 /nfs/dbraw/zinc/73/70/10/873737010.db2.gz XEUJJXVCBQIGGV-IIAWOOMASA-N 2 1 304.438 1.983 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001208005166 873737018 /nfs/dbraw/zinc/73/70/18/873737018.db2.gz XEUJJXVCBQIGGV-IIAWOOMASA-N 2 1 304.438 1.983 20 30 DDEDMP C#CCCC[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001209267283 874766086 /nfs/dbraw/zinc/76/60/86/874766086.db2.gz NPUOMIFPOVEXFZ-SQNIBIBYSA-N 2 1 315.465 1.865 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001209267283 874766095 /nfs/dbraw/zinc/76/60/95/874766095.db2.gz NPUOMIFPOVEXFZ-SQNIBIBYSA-N 2 1 315.465 1.865 20 30 DDEDMP C#CCCC[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001209267283 874766106 /nfs/dbraw/zinc/76/61/06/874766106.db2.gz NPUOMIFPOVEXFZ-SQNIBIBYSA-N 2 1 315.465 1.865 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001378411336 874834440 /nfs/dbraw/zinc/83/44/40/874834440.db2.gz CMAPLKZBQVPIAZ-OAHLLOKOSA-N 2 1 310.829 1.819 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210347212 875341192 /nfs/dbraw/zinc/34/11/92/875341192.db2.gz BCMWITAGQSWUJX-INIZCTEOSA-N 2 1 323.400 1.485 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674199 875484438 /nfs/dbraw/zinc/48/44/38/875484438.db2.gz OQBZFTPMSDXIEC-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974294 876118888 /nfs/dbraw/zinc/11/88/88/876118888.db2.gz RPINZMWYLOTRSM-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1nc(C)cs1 ZINC000303970757 876472170 /nfs/dbraw/zinc/47/21/70/876472170.db2.gz CULQIILMKBVMBA-CYBMUJFWSA-N 2 1 309.483 1.773 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861414 876484180 /nfs/dbraw/zinc/48/41/80/876484180.db2.gz TUOKNMLWGXYLJV-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036369 876546617 /nfs/dbraw/zinc/54/66/17/876546617.db2.gz YQXXAWLOWXIDKS-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410089 876702909 /nfs/dbraw/zinc/70/29/09/876702909.db2.gz MUIXUVHCLGYKFN-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001215571188 876752580 /nfs/dbraw/zinc/75/25/80/876752580.db2.gz DAZPLIOJQNRRAT-SJLPKXTDSA-N 2 1 313.445 1.231 20 30 DDEDMP C#CCNCC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001353569650 877425922 /nfs/dbraw/zinc/42/59/22/877425922.db2.gz GPKVKIWPTGCSQM-OAHLLOKOSA-N 2 1 315.417 1.569 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC001353569650 877425936 /nfs/dbraw/zinc/42/59/36/877425936.db2.gz GPKVKIWPTGCSQM-OAHLLOKOSA-N 2 1 315.417 1.569 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001353569650 877425955 /nfs/dbraw/zinc/42/59/55/877425955.db2.gz GPKVKIWPTGCSQM-OAHLLOKOSA-N 2 1 315.417 1.569 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645504 877633461 /nfs/dbraw/zinc/63/34/61/877633461.db2.gz HZPUKMXHMGUEMZ-JKSUJKDBSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645504 877633473 /nfs/dbraw/zinc/63/34/73/877633473.db2.gz HZPUKMXHMGUEMZ-JKSUJKDBSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218645504 877633488 /nfs/dbraw/zinc/63/34/88/877633488.db2.gz HZPUKMXHMGUEMZ-JKSUJKDBSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222491445 880504439 /nfs/dbraw/zinc/50/44/39/880504439.db2.gz BKGJTWVHFCFFAN-ROUUACIJSA-N 2 1 301.434 1.777 20 30 DDEDMP N#Cc1cc(Cl)ccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222507557 880522914 /nfs/dbraw/zinc/52/29/14/880522914.db2.gz YOJXYDWLUMDKOW-HOTGVXAUSA-N 2 1 304.825 1.737 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001222682054 880648768 /nfs/dbraw/zinc/64/87/68/880648768.db2.gz ANGVTPAKYDDDMP-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682054 880648776 /nfs/dbraw/zinc/64/87/76/880648776.db2.gz ANGVTPAKYDDDMP-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223837035 881117997 /nfs/dbraw/zinc/11/79/97/881117997.db2.gz JBPIHWAUNAIDTJ-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001229610300 884073516 /nfs/dbraw/zinc/07/35/16/884073516.db2.gz KWLBZXHDXRLVKX-UHFFFAOYSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374222 884455930 /nfs/dbraw/zinc/45/59/30/884455930.db2.gz KVNKSJFJTKFFLU-SFHVURJKSA-N 2 1 313.445 1.893 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)NC2(C#N)CCC2)CC1 ZINC001277796226 887173038 /nfs/dbraw/zinc/17/30/38/887173038.db2.gz BHIHNJKQOFVQLP-QAPCUYQASA-N 2 1 316.449 1.355 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001235596230 888788795 /nfs/dbraw/zinc/78/87/95/888788795.db2.gz GTUNWOKFHNJBLE-FUHWJXTLSA-N 2 1 319.424 1.739 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277982839 889228603 /nfs/dbraw/zinc/22/86/03/889228603.db2.gz YDDQHAONSVMQRP-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C1C[C@@H]2CC([N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])C[C@H](C1)C2 ZINC001246926049 892993172 /nfs/dbraw/zinc/99/31/72/892993172.db2.gz RKHVUOJGBGLZQD-SJPCQFCGSA-N 3 1 322.497 1.237 20 30 DDEDMP C=C1C[C@@H]2CC(N(CCC[NH3+])CC(=O)NCCC[NH3+])C[C@H](C1)C2 ZINC001246926049 892993183 /nfs/dbraw/zinc/99/31/83/892993183.db2.gz RKHVUOJGBGLZQD-SJPCQFCGSA-N 2 1 322.497 1.237 20 30 DDEDMP CCc1cc(C#N)ccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001248751564 893683634 /nfs/dbraw/zinc/68/36/34/893683634.db2.gz AQKGIEMGEPCGPJ-UHFFFAOYSA-N 2 1 300.450 1.800 20 30 DDEDMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001278674025 895311934 /nfs/dbraw/zinc/31/19/34/895311934.db2.gz XXGUXMGOTHJTNQ-BQFCYCMXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278674025 895311949 /nfs/dbraw/zinc/31/19/49/895311949.db2.gz XXGUXMGOTHJTNQ-BQFCYCMXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278674025 895311965 /nfs/dbraw/zinc/31/19/65/895311965.db2.gz XXGUXMGOTHJTNQ-BQFCYCMXSA-N 2 1 305.466 1.568 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367031560 895627296 /nfs/dbraw/zinc/62/72/96/895627296.db2.gz XLABNUCKFOJBJM-IAGOWNOFSA-N 2 1 314.433 1.589 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001367031560 895627304 /nfs/dbraw/zinc/62/73/04/895627304.db2.gz XLABNUCKFOJBJM-IAGOWNOFSA-N 2 1 314.433 1.589 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254500652 896461025 /nfs/dbraw/zinc/46/10/25/896461025.db2.gz XHHCUXZKSUJBML-IAGOWNOFSA-N 2 1 315.461 1.966 20 30 DDEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001278859549 896852063 /nfs/dbraw/zinc/85/20/63/896852063.db2.gz DCSHNOZXVLDBTR-HRCADAONSA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001278859549 896852078 /nfs/dbraw/zinc/85/20/78/896852078.db2.gz DCSHNOZXVLDBTR-HRCADAONSA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001278859549 896852092 /nfs/dbraw/zinc/85/20/92/896852092.db2.gz DCSHNOZXVLDBTR-HRCADAONSA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[NH+]1CC(O)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001278884198 897107238 /nfs/dbraw/zinc/10/72/38/897107238.db2.gz ZQRCJVAFHCVIQC-UHFFFAOYSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[NH+]1CC(O)(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001278884198 897107247 /nfs/dbraw/zinc/10/72/47/897107247.db2.gz ZQRCJVAFHCVIQC-UHFFFAOYSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264126753 900962326 /nfs/dbraw/zinc/96/23/26/900962326.db2.gz YGPBWSCUFQAAES-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001264521254 901167345 /nfs/dbraw/zinc/16/73/45/901167345.db2.gz XDIVYAYQLCVWBK-NVXWUHKLSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001264611426 901214882 /nfs/dbraw/zinc/21/48/82/901214882.db2.gz HQSMVVXCDYOOJF-IXDOHACOSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001264611426 901214891 /nfs/dbraw/zinc/21/48/91/901214891.db2.gz HQSMVVXCDYOOJF-IXDOHACOSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1CC ZINC001264611426 901214905 /nfs/dbraw/zinc/21/49/05/901214905.db2.gz HQSMVVXCDYOOJF-IXDOHACOSA-N 2 1 305.466 1.853 20 30 DDEDMP CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001265000994 901414718 /nfs/dbraw/zinc/41/47/18/901414718.db2.gz KOGBWUDESMIMIZ-QGZVFWFLSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001265987174 902712780 /nfs/dbraw/zinc/71/27/80/902712780.db2.gz UXSBFNVLVFMMNY-PWZNUNQRSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001265987174 902712792 /nfs/dbraw/zinc/71/27/92/902712792.db2.gz UXSBFNVLVFMMNY-PWZNUNQRSA-N 2 1 309.841 1.275 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001370567412 903425761 /nfs/dbraw/zinc/42/57/61/903425761.db2.gz ZWJQCVAUPBBOOQ-QAQDUYKDSA-N 2 1 314.433 1.635 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CCCC=C ZINC001281941066 905333472 /nfs/dbraw/zinc/33/34/72/905333472.db2.gz FNLJFOGZAYDIOQ-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CCCC=C ZINC001281941066 905333495 /nfs/dbraw/zinc/33/34/95/905333495.db2.gz FNLJFOGZAYDIOQ-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC=C ZINC001281941066 905333515 /nfs/dbraw/zinc/33/35/15/905333515.db2.gz FNLJFOGZAYDIOQ-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC=C ZINC001281941066 905333532 /nfs/dbraw/zinc/33/35/32/905333532.db2.gz FNLJFOGZAYDIOQ-ROUUACIJSA-N 2 1 317.477 1.973 20 30 DDEDMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001282335273 905698387 /nfs/dbraw/zinc/69/83/87/905698387.db2.gz OEGJNQJOOQUDCT-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001283507274 907491492 /nfs/dbraw/zinc/49/14/92/907491492.db2.gz LFSPPYOCZIFCKV-FZZAOWMFSA-N 2 1 323.868 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001283507274 907491501 /nfs/dbraw/zinc/49/15/01/907491501.db2.gz LFSPPYOCZIFCKV-FZZAOWMFSA-N 2 1 323.868 1.663 20 30 DDEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001283678456 907782390 /nfs/dbraw/zinc/78/23/90/907782390.db2.gz MUFZHHBJZXJDJD-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001284372042 908903532 /nfs/dbraw/zinc/90/35/32/908903532.db2.gz KRRLSSCRIUGOJL-QWHCGFSZSA-N 2 1 321.387 1.739 20 30 DDEDMP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001284870027 909605119 /nfs/dbraw/zinc/60/51/19/909605119.db2.gz LPJQAWYGTTVUIR-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1)[NH+](C)C ZINC001375491305 916114370 /nfs/dbraw/zinc/11/43/70/916114370.db2.gz OAWABEABEZIXAR-INIZCTEOSA-N 2 1 314.433 1.637 20 30 DDEDMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278755755 214378653 /nfs/dbraw/zinc/37/86/53/214378653.db2.gz OEFQKGAHRBSFJI-KRWDZBQOSA-N 2 1 314.433 1.763 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)CN1CC[NH+](C)CC1)C(C)C ZINC000081396280 539166609 /nfs/dbraw/zinc/16/66/09/539166609.db2.gz PQYKICVKMTWTCP-QGZVFWFLSA-N 2 1 322.497 1.049 20 30 DDEDMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C#N ZINC000174374837 198326684 /nfs/dbraw/zinc/32/66/84/198326684.db2.gz XPDKKHOPIQQAEO-QGZVFWFLSA-N 2 1 317.433 1.893 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079917725 353582890 /nfs/dbraw/zinc/58/28/90/353582890.db2.gz OCRDNBJIMWZTEN-DOTOQJQBSA-N 2 1 318.465 1.633 20 30 DDEDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436995 356213370 /nfs/dbraw/zinc/21/33/70/356213370.db2.gz HIKASUDWHGWQOQ-QKPAOTATSA-N 2 1 308.470 1.880 20 30 DDEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])CCCCC#N)C[C@@H](C)O1 ZINC000594441246 356216966 /nfs/dbraw/zinc/21/69/66/356216966.db2.gz PNIGIWMULKXNLM-RBSFLKMASA-N 2 1 324.469 1.402 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000600769845 358311503 /nfs/dbraw/zinc/31/15/03/358311503.db2.gz SSVXRQKCNDYRAB-CJNGLKHVSA-N 2 1 316.405 1.231 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120450062 781951400 /nfs/dbraw/zinc/95/14/00/781951400.db2.gz SBLQWQQAUREJKE-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C[NH+]=C(NCc1ccco1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179074146 407714639 /nfs/dbraw/zinc/71/46/39/407714639.db2.gz IKJOYRCINMACKL-AWEZNQCLSA-N 2 1 306.410 1.009 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245524730 408006266 /nfs/dbraw/zinc/00/62/66/408006266.db2.gz AQSCOLZLIUHWBX-RDJZCZTQSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245524730 408006270 /nfs/dbraw/zinc/00/62/70/408006270.db2.gz AQSCOLZLIUHWBX-RDJZCZTQSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245524730 408006273 /nfs/dbraw/zinc/00/62/73/408006273.db2.gz AQSCOLZLIUHWBX-RDJZCZTQSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245524730 408006276 /nfs/dbraw/zinc/00/62/76/408006276.db2.gz AQSCOLZLIUHWBX-RDJZCZTQSA-N 2 1 318.465 1.697 20 30 DDEDMP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272872473 408014293 /nfs/dbraw/zinc/01/42/93/408014293.db2.gz GTNQEMGZVJXWGP-INIZCTEOSA-N 2 1 304.438 1.410 20 30 DDEDMP C#CCNC(=O)CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000292859915 409043489 /nfs/dbraw/zinc/04/34/89/409043489.db2.gz RKBTVPSNJVOBMK-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCNC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000292859915 409043492 /nfs/dbraw/zinc/04/34/92/409043492.db2.gz RKBTVPSNJVOBMK-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CCNC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000292859915 409043494 /nfs/dbraw/zinc/04/34/94/409043494.db2.gz RKBTVPSNJVOBMK-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(F)cc1 ZINC000278263158 409077110 /nfs/dbraw/zinc/07/71/10/409077110.db2.gz NSSWMDGEOUYQRM-GJZGRUSLSA-N 2 1 308.401 1.248 20 30 DDEDMP C=CC[N@H+](CCOCC[NH3+])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000357083999 409855338 /nfs/dbraw/zinc/85/53/38/409855338.db2.gz JFQFVZQJFMLXNM-AWEZNQCLSA-N 2 1 316.409 1.187 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000328188799 409929694 /nfs/dbraw/zinc/92/96/94/409929694.db2.gz PLWAVTDQFPCEQF-HNNXBMFYSA-N 2 1 310.825 1.624 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000328188799 409929698 /nfs/dbraw/zinc/92/96/98/409929698.db2.gz PLWAVTDQFPCEQF-HNNXBMFYSA-N 2 1 310.825 1.624 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000328925193 410012324 /nfs/dbraw/zinc/01/23/24/410012324.db2.gz VTINFXVIGATESQ-GVDBMIGSSA-N 2 1 317.433 1.673 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000650077415 423038247 /nfs/dbraw/zinc/03/82/47/423038247.db2.gz AGFWHUULXLJRQR-KURKYZTESA-N 2 1 304.434 1.803 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000650077415 423038252 /nfs/dbraw/zinc/03/82/52/423038252.db2.gz AGFWHUULXLJRQR-KURKYZTESA-N 2 1 304.434 1.803 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000366181390 418438929 /nfs/dbraw/zinc/43/89/29/418438929.db2.gz VRGLLUAXDLGKAZ-GOSISDBHSA-N 2 1 320.481 1.764 20 30 DDEDMP C=C(Br)CNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261987102 222267024 /nfs/dbraw/zinc/26/70/24/222267024.db2.gz QJGJPOKHRXJQIL-JOYOIKCWSA-N 2 1 315.259 1.543 20 30 DDEDMP CC[NH+]=C(NCc1nc(C)cs1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261932496 222262162 /nfs/dbraw/zinc/26/21/62/222262162.db2.gz BSQYLDWZIJNAJN-SMDDNHRTSA-N 2 1 321.494 1.989 20 30 DDEDMP C[NH+]=C(NCCn1ccnc1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261958189 222264067 /nfs/dbraw/zinc/26/40/67/222264067.db2.gz JIZLDZFGVINXCQ-ZFWWWQNUSA-N 3 1 306.458 1.085 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261958189 222264069 /nfs/dbraw/zinc/26/40/69/222264069.db2.gz JIZLDZFGVINXCQ-ZFWWWQNUSA-N 3 1 306.458 1.085 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(C)cc1 ZINC000264135460 222323970 /nfs/dbraw/zinc/32/39/70/222323970.db2.gz ZPATZHJZKXCALZ-HOTGVXAUSA-N 2 1 304.438 1.417 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(F)c(F)c1 ZINC000264131874 222324317 /nfs/dbraw/zinc/32/43/17/222324317.db2.gz UCQFTPLHSDQIAR-UHFFFAOYSA-N 2 1 312.364 1.091 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COc2ccccc21 ZINC000262258174 222273511 /nfs/dbraw/zinc/27/35/11/222273511.db2.gz FRDUMHRWTJIHIH-KGLIPLIRSA-N 2 1 302.422 1.551 20 30 DDEDMP CC[NH+]=C(NCC1(C)CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262433966 222279991 /nfs/dbraw/zinc/27/99/91/222279991.db2.gz SVTBHEQGZIGFSF-OAHLLOKOSA-N 2 1 308.470 1.406 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)N1 ZINC000262646010 222287752 /nfs/dbraw/zinc/28/77/52/222287752.db2.gz JBVYFMXNQUVSQH-KGLIPLIRSA-N 2 1 302.422 1.345 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)N1 ZINC000262646010 222287753 /nfs/dbraw/zinc/28/77/53/222287753.db2.gz JBVYFMXNQUVSQH-KGLIPLIRSA-N 2 1 302.422 1.345 20 30 DDEDMP COc1cccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+]2CCCC2)c1 ZINC000262663289 222288746 /nfs/dbraw/zinc/28/87/46/222288746.db2.gz NPJCVLHFWBDRMY-CJNGLKHVSA-N 2 1 302.422 1.769 20 30 DDEDMP COCC[N@@H+](C)CCOc1cccc(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262673002 222288850 /nfs/dbraw/zinc/28/88/50/222288850.db2.gz RWQZKJLYERCHCB-CQSZACIVSA-N 2 1 320.437 1.081 20 30 DDEDMP CCc1cnc(CNC(N[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)s1 ZINC000262754652 222290892 /nfs/dbraw/zinc/29/08/92/222290892.db2.gz CXDOEMGKPUIOCA-NSHDSACASA-N 2 1 307.467 1.607 20 30 DDEDMP CCc1cnc(CNC(N[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C)s1 ZINC000262754652 222290894 /nfs/dbraw/zinc/29/08/94/222290894.db2.gz CXDOEMGKPUIOCA-NSHDSACASA-N 2 1 307.467 1.607 20 30 DDEDMP C[NH+]=C(NCc1cccc2c1OCO2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262836611 222297360 /nfs/dbraw/zinc/29/73/60/222297360.db2.gz WINLSSWFGXFVNL-CYBMUJFWSA-N 2 1 316.405 1.317 20 30 DDEDMP C[NH+]=C(NCc1cccc2c1OCO2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262836611 222297363 /nfs/dbraw/zinc/29/73/63/222297363.db2.gz WINLSSWFGXFVNL-CYBMUJFWSA-N 2 1 316.405 1.317 20 30 DDEDMP [NH2+]=C(NCCCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000264060740 222311347 /nfs/dbraw/zinc/31/13/47/222311347.db2.gz CRPYBRFYNUMNTK-UHFFFAOYSA-N 2 1 304.438 1.246 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc([C@@H](C)O)cc1 ZINC000264072970 222312236 /nfs/dbraw/zinc/31/22/36/222312236.db2.gz DQRQMNLVJZBHAY-CJNGLKHVSA-N 2 1 304.438 1.629 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000267443676 222385303 /nfs/dbraw/zinc/38/53/03/222385303.db2.gz PPGQYMRAJFNNRN-CYBMUJFWSA-N 2 1 306.410 1.390 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCc2[nH+]c(C)n3c2CCCC3)CC1 ZINC000378306489 418721252 /nfs/dbraw/zinc/72/12/52/418721252.db2.gz OPHMNNGKAAGYKZ-UHFFFAOYSA-N 2 1 314.433 1.489 20 30 DDEDMP CC(C)(CCC#N)C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000369672208 418735860 /nfs/dbraw/zinc/73/58/60/418735860.db2.gz MWJNEGNIWAUYQN-INIZCTEOSA-N 2 1 308.470 1.312 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000362769307 418759258 /nfs/dbraw/zinc/75/92/58/418759258.db2.gz KNJDXHRKYDNJFY-IXDOHACOSA-N 2 1 307.482 1.999 20 30 DDEDMP Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000364714614 418802482 /nfs/dbraw/zinc/80/24/82/418802482.db2.gz CBLDZOGEJBLDCE-HYVNUMGLSA-N 2 1 302.422 1.580 20 30 DDEDMP Cn1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C#N ZINC000364714614 418802484 /nfs/dbraw/zinc/80/24/84/418802484.db2.gz CBLDZOGEJBLDCE-HYVNUMGLSA-N 2 1 302.422 1.580 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000541779331 421805411 /nfs/dbraw/zinc/80/54/11/421805411.db2.gz SHRRCLDHHBPXFP-UHFFFAOYSA-N 2 1 316.449 1.919 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000573754656 422010754 /nfs/dbraw/zinc/01/07/54/422010754.db2.gz YTQJBWRZSDOQCW-UHFFFAOYSA-N 2 1 300.406 1.497 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000574912321 422213125 /nfs/dbraw/zinc/21/31/25/422213125.db2.gz YERHVNCLCOXHKW-GOSISDBHSA-N 2 1 304.434 1.804 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000576191232 422371824 /nfs/dbraw/zinc/37/18/24/422371824.db2.gz RREGJYRRBOAOPO-CJNGLKHVSA-N 2 1 316.405 1.363 20 30 DDEDMP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)nn1 ZINC000655940808 424694794 /nfs/dbraw/zinc/69/47/94/424694794.db2.gz YFJAYHVVBWTPRI-ZOBUZTSGSA-N 2 1 319.453 1.573 20 30 DDEDMP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)nn1 ZINC000655940808 424694795 /nfs/dbraw/zinc/69/47/95/424694795.db2.gz YFJAYHVVBWTPRI-ZOBUZTSGSA-N 2 1 319.453 1.573 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000538711048 303389485 /nfs/dbraw/zinc/38/94/85/303389485.db2.gz RHIJRTDWWUGKHH-UHFFFAOYSA-N 2 1 310.361 1.285 20 30 DDEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000567463970 308081156 /nfs/dbraw/zinc/08/11/56/308081156.db2.gz AFYYWGNOHSUXEU-INIZCTEOSA-N 2 1 314.389 1.483 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CC1 ZINC000345715164 526430225 /nfs/dbraw/zinc/43/02/25/526430225.db2.gz MABGHFYNENGMCQ-HUUCEWRRSA-N 2 1 308.470 1.761 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000491654416 526811967 /nfs/dbraw/zinc/81/19/67/526811967.db2.gz FCYOWUMETFPFQB-KRWDZBQOSA-N 2 1 320.481 1.315 20 30 DDEDMP C#CCNC(=O)CC[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000491414182 526984820 /nfs/dbraw/zinc/98/48/20/526984820.db2.gz BOWCDGLMSGAJCK-UHFFFAOYSA-N 2 1 301.434 1.756 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC)CC2(C)C)CC1 ZINC000977655445 696246126 /nfs/dbraw/zinc/24/61/26/696246126.db2.gz OMZMOELHFBXOAC-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000979082585 696493301 /nfs/dbraw/zinc/49/33/01/696493301.db2.gz XOYCZQZRGQFXGL-NNZMDNLPSA-N 2 1 313.445 1.842 20 30 DDEDMP CC[C@@H](CNC(=[NH2+])N[C@H](C)COC)[N@H+]1CCc2ccccc2C1 ZINC000104167631 696618980 /nfs/dbraw/zinc/61/89/80/696618980.db2.gz GTQDWWLXEMANOV-PBHICJAKSA-N 2 1 318.465 1.763 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000980522847 696791556 /nfs/dbraw/zinc/79/15/56/696791556.db2.gz CBJHAWNAOODRDI-OAHLLOKOSA-N 2 1 317.433 1.901 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772153 696910423 /nfs/dbraw/zinc/91/04/23/696910423.db2.gz ONOQQVBJDAYMPZ-KRWDZBQOSA-N 2 1 315.461 1.276 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000153634315 696919236 /nfs/dbraw/zinc/91/92/36/696919236.db2.gz LWWHNBRYDWQWOX-HUUCEWRRSA-N 2 1 322.497 1.862 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981893861 696959621 /nfs/dbraw/zinc/95/96/21/696959621.db2.gz PKBDXPBIPSJVCY-UHFFFAOYSA-N 2 1 322.412 1.896 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981963478 696987408 /nfs/dbraw/zinc/98/74/08/696987408.db2.gz AFPYXLZBVQKDLL-UHFFFAOYSA-N 2 1 313.445 1.572 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000981963478 696987410 /nfs/dbraw/zinc/98/74/10/696987410.db2.gz AFPYXLZBVQKDLL-UHFFFAOYSA-N 2 1 313.445 1.572 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981991746 696996754 /nfs/dbraw/zinc/99/67/54/696996754.db2.gz NQGSOXCDHAYPIU-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981183923 697028407 /nfs/dbraw/zinc/02/84/07/697028407.db2.gz HPUCVSNFENMYTI-UONOGXRCSA-N 2 1 320.437 1.943 20 30 DDEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000981185361 697028879 /nfs/dbraw/zinc/02/88/79/697028879.db2.gz UMKYTQKIOURXEF-QWHCGFSZSA-N 2 1 306.410 1.553 20 30 DDEDMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NC3(C#N)CCC3)C2)CC1 ZINC000799177486 700126876 /nfs/dbraw/zinc/12/68/76/700126876.db2.gz SOQFZRAOLAYRPB-UHFFFAOYSA-N 2 1 304.438 1.357 20 30 DDEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982148819 697042235 /nfs/dbraw/zinc/04/22/35/697042235.db2.gz XRIYRPBRUJDQSS-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982148819 697042238 /nfs/dbraw/zinc/04/22/38/697042238.db2.gz XRIYRPBRUJDQSS-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982148819 697042241 /nfs/dbraw/zinc/04/22/41/697042241.db2.gz XRIYRPBRUJDQSS-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981421803 697092911 /nfs/dbraw/zinc/09/29/11/697092911.db2.gz MRLZSOFDIAZUSM-CVEARBPZSA-N 2 1 323.400 1.531 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982554630 697149670 /nfs/dbraw/zinc/14/96/70/697149670.db2.gz ZYXNMBHHAVFRQZ-JFRXWTBNSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982554630 697149671 /nfs/dbraw/zinc/14/96/71/697149671.db2.gz ZYXNMBHHAVFRQZ-JFRXWTBNSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982554630 697149672 /nfs/dbraw/zinc/14/96/72/697149672.db2.gz ZYXNMBHHAVFRQZ-JFRXWTBNSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982554635 697149854 /nfs/dbraw/zinc/14/98/54/697149854.db2.gz ZYXNMBHHAVFRQZ-RWQQGDIJSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982554635 697149856 /nfs/dbraw/zinc/14/98/56/697149856.db2.gz ZYXNMBHHAVFRQZ-RWQQGDIJSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982554635 697149858 /nfs/dbraw/zinc/14/98/58/697149858.db2.gz ZYXNMBHHAVFRQZ-RWQQGDIJSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982797591 697180248 /nfs/dbraw/zinc/18/02/48/697180248.db2.gz GFQAYBQTVIEGGO-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982797591 697180249 /nfs/dbraw/zinc/18/02/49/697180249.db2.gz GFQAYBQTVIEGGO-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982797591 697180251 /nfs/dbraw/zinc/18/02/51/697180251.db2.gz GFQAYBQTVIEGGO-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000985427087 697509088 /nfs/dbraw/zinc/50/90/88/697509088.db2.gz CTDZLEVSKBOKHG-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000985427087 697509089 /nfs/dbraw/zinc/50/90/89/697509089.db2.gz CTDZLEVSKBOKHG-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000985427087 697509093 /nfs/dbraw/zinc/50/90/93/697509093.db2.gz CTDZLEVSKBOKHG-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC(=C)C)CC1 ZINC000985475039 697517225 /nfs/dbraw/zinc/51/72/25/697517225.db2.gz JKGRZJVNEGSATN-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC000985475039 697517227 /nfs/dbraw/zinc/51/72/27/697517227.db2.gz JKGRZJVNEGSATN-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(=C)C)CC1 ZINC000985475039 697517229 /nfs/dbraw/zinc/51/72/29/697517229.db2.gz JKGRZJVNEGSATN-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(=C)C)CC1 ZINC000985475039 697517230 /nfs/dbraw/zinc/51/72/30/697517230.db2.gz JKGRZJVNEGSATN-KRWDZBQOSA-N 2 1 303.450 1.583 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000303769831 698605951 /nfs/dbraw/zinc/60/59/51/698605951.db2.gz BEZSSFPDODYNAU-CVEARBPZSA-N 3 1 309.502 1.495 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000303772458 698606211 /nfs/dbraw/zinc/60/62/11/698606211.db2.gz DOZILWXICILRID-AWEZNQCLSA-N 2 1 308.426 1.747 20 30 DDEDMP C[C@H](CNC(=[NH2+])NCCc1cccs1)C[NH+]1CCOCC1 ZINC000304738018 698623510 /nfs/dbraw/zinc/62/35/10/698623510.db2.gz AQBUKYAUCJBCTC-CYBMUJFWSA-N 2 1 310.467 1.163 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990691301 699133960 /nfs/dbraw/zinc/13/39/60/699133960.db2.gz USUZARVHEIMNIW-LZLYRXPVSA-N 2 1 301.434 1.075 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792863 699160608 /nfs/dbraw/zinc/16/06/08/699160608.db2.gz WCRDLSCKQQWXSA-XLMAVXFVSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792863 699160609 /nfs/dbraw/zinc/16/06/09/699160609.db2.gz WCRDLSCKQQWXSA-XLMAVXFVSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792863 699160610 /nfs/dbraw/zinc/16/06/10/699160610.db2.gz WCRDLSCKQQWXSA-XLMAVXFVSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358968 699306027 /nfs/dbraw/zinc/30/60/27/699306027.db2.gz KGNBXVAOCGXLDN-KCYZZUKISA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358968 699306029 /nfs/dbraw/zinc/30/60/29/699306029.db2.gz KGNBXVAOCGXLDN-KCYZZUKISA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358968 699306032 /nfs/dbraw/zinc/30/60/32/699306032.db2.gz KGNBXVAOCGXLDN-KCYZZUKISA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991358968 699306035 /nfs/dbraw/zinc/30/60/35/699306035.db2.gz KGNBXVAOCGXLDN-KCYZZUKISA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991862027 699426366 /nfs/dbraw/zinc/42/63/66/699426366.db2.gz OFQYGQKGBCVVEZ-WBVHZDCISA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991862027 699426368 /nfs/dbraw/zinc/42/63/68/699426368.db2.gz OFQYGQKGBCVVEZ-WBVHZDCISA-N 2 1 302.422 1.881 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991864324 699427325 /nfs/dbraw/zinc/42/73/25/699427325.db2.gz VDBGVRBKLILDJF-WBVHZDCISA-N 2 1 300.406 1.328 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991864324 699427328 /nfs/dbraw/zinc/42/73/28/699427328.db2.gz VDBGVRBKLILDJF-WBVHZDCISA-N 2 1 300.406 1.328 20 30 DDEDMP Cc1[nH+]c(C=NNC(=S)NCCC[NH+](C)C)c2ccccn12 ZINC000731928019 699541498 /nfs/dbraw/zinc/54/14/98/699541498.db2.gz ARNVMRAXMAGJLY-UHFFFAOYSA-N 2 1 318.450 1.392 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000876750723 705856755 /nfs/dbraw/zinc/85/67/55/705856755.db2.gz RSUQPKWIAFWXBS-WMZOPIPTSA-N 2 1 324.428 1.442 20 30 DDEDMP Cc1[nH]c(C2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)CC2)[nH+]c1C ZINC000886670492 708810300 /nfs/dbraw/zinc/81/03/00/708810300.db2.gz QKQVSSHLLIYJPK-CQSZACIVSA-N 2 1 317.437 1.967 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000887634440 709087510 /nfs/dbraw/zinc/08/75/10/709087510.db2.gz RKTJFVJOFFMHHQ-DLBZAZTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000887634440 709087513 /nfs/dbraw/zinc/08/75/13/709087513.db2.gz RKTJFVJOFFMHHQ-DLBZAZTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000887634440 709087515 /nfs/dbraw/zinc/08/75/15/709087515.db2.gz RKTJFVJOFFMHHQ-DLBZAZTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000887634440 709087518 /nfs/dbraw/zinc/08/75/18/709087518.db2.gz RKTJFVJOFFMHHQ-DLBZAZTESA-N 2 1 320.481 1.648 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)C(C)C ZINC000900691232 709713856 /nfs/dbraw/zinc/71/38/56/709713856.db2.gz XFSQLBIJIDXXJI-NUJGCVRESA-N 2 1 323.481 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000890363456 709836453 /nfs/dbraw/zinc/83/64/53/709836453.db2.gz PCARUYOUBLAXCE-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000890363456 709836457 /nfs/dbraw/zinc/83/64/57/709836457.db2.gz PCARUYOUBLAXCE-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891921876 710328644 /nfs/dbraw/zinc/32/86/44/710328644.db2.gz XCDNABQZPDHWNP-INIZCTEOSA-N 2 1 320.481 1.553 20 30 DDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1C#N ZINC000892071948 710366174 /nfs/dbraw/zinc/36/61/74/710366174.db2.gz YNJPGOJBZUXWRK-CQSZACIVSA-N 2 1 318.425 1.245 20 30 DDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1C#N ZINC000892071948 710366175 /nfs/dbraw/zinc/36/61/75/710366175.db2.gz YNJPGOJBZUXWRK-CQSZACIVSA-N 2 1 318.425 1.245 20 30 DDEDMP Cn1c[nH+]cc1CCCON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000902283271 710695815 /nfs/dbraw/zinc/69/58/15/710695815.db2.gz ZFUHWPYCWHQPPJ-UHFFFAOYSA-N 2 1 315.421 1.751 20 30 DDEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC000903495094 711151028 /nfs/dbraw/zinc/15/10/28/711151028.db2.gz UTPUMPRNWHBVBO-RDCKGOQXSA-N 2 1 305.422 1.529 20 30 DDEDMP Cc1cc(NC[C@H]2CC[N@@H+]2C)c(C#N)c(NC[C@H]2CC[NH+]2C)n1 ZINC000895769945 711601609 /nfs/dbraw/zinc/60/16/09/711601609.db2.gz WNOMWGKSCYMXQP-ZIAGYGMSSA-N 2 1 314.437 1.494 20 30 DDEDMP Cc1cc(NC[C@H]2CC[NH+]2C)c(C#N)c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895769945 711601610 /nfs/dbraw/zinc/60/16/10/711601610.db2.gz WNOMWGKSCYMXQP-ZIAGYGMSSA-N 2 1 314.437 1.494 20 30 DDEDMP Cc1cc(NC[C@H]2CC[NH+]2C)c(C#N)c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895769945 711601612 /nfs/dbraw/zinc/60/16/12/711601612.db2.gz WNOMWGKSCYMXQP-ZIAGYGMSSA-N 2 1 314.437 1.494 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000959970686 716374336 /nfs/dbraw/zinc/37/43/36/716374336.db2.gz BZRDVBCBDNDEMW-KOZAUXTDSA-N 2 1 315.421 1.022 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961186663 716853766 /nfs/dbraw/zinc/85/37/66/716853766.db2.gz RHGSYKPXLKKWBS-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648754 716896788 /nfs/dbraw/zinc/89/67/88/716896788.db2.gz HVIDBRQTXHCGCY-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648754 716896792 /nfs/dbraw/zinc/89/67/92/716896792.db2.gz HVIDBRQTXHCGCY-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648754 716896796 /nfs/dbraw/zinc/89/67/96/716896796.db2.gz HVIDBRQTXHCGCY-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648754 716896799 /nfs/dbraw/zinc/89/67/99/716896799.db2.gz HVIDBRQTXHCGCY-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940744185 716941079 /nfs/dbraw/zinc/94/10/79/716941079.db2.gz HGGHYQLRQHZOGF-IAGOWNOFSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)CC)C[C@H]32)CC1 ZINC000962775451 717584208 /nfs/dbraw/zinc/58/42/08/717584208.db2.gz NAGNMYYZVKBOBN-DZJNRPSUSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582396 717762301 /nfs/dbraw/zinc/76/23/01/717762301.db2.gz YYRHHVGLIUAQGS-GOEBONIOSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967210116 718792043 /nfs/dbraw/zinc/79/20/43/718792043.db2.gz VDHOZZKSCHTGPS-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595244 718846617 /nfs/dbraw/zinc/84/66/17/718846617.db2.gz ONCQDXYWMYSPIZ-ZJPYXAASSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595244 718846621 /nfs/dbraw/zinc/84/66/21/718846621.db2.gz ONCQDXYWMYSPIZ-ZJPYXAASSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595244 718846625 /nfs/dbraw/zinc/84/66/25/718846625.db2.gz ONCQDXYWMYSPIZ-ZJPYXAASSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779152 718906107 /nfs/dbraw/zinc/90/61/07/718906107.db2.gz HRZXPBUMCJMQRZ-WNRNVDISSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779152 718906109 /nfs/dbraw/zinc/90/61/09/718906109.db2.gz HRZXPBUMCJMQRZ-WNRNVDISSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779152 718906110 /nfs/dbraw/zinc/90/61/10/718906110.db2.gz HRZXPBUMCJMQRZ-WNRNVDISSA-N 2 1 319.493 1.931 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946784308 718908131 /nfs/dbraw/zinc/90/81/31/718908131.db2.gz GBPNLZABRVQRCU-BBWFWOEESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947436420 719162402 /nfs/dbraw/zinc/16/24/02/719162402.db2.gz IQINFCDEXZOHAC-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1C ZINC000947537861 719202431 /nfs/dbraw/zinc/20/24/31/719202431.db2.gz RHBKMALDHRMAFM-LSDHHAIUSA-N 2 1 323.400 1.483 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948542209 719538801 /nfs/dbraw/zinc/53/88/01/719538801.db2.gz ODTLVMDAIXNRTB-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948542209 719538803 /nfs/dbraw/zinc/53/88/03/719538803.db2.gz ODTLVMDAIXNRTB-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948542209 719538805 /nfs/dbraw/zinc/53/88/05/719538805.db2.gz ODTLVMDAIXNRTB-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948542209 719538807 /nfs/dbraw/zinc/53/88/07/719538807.db2.gz ODTLVMDAIXNRTB-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC=C)CC[C@@H]2C)CC1 ZINC000968682602 719733974 /nfs/dbraw/zinc/73/39/74/719733974.db2.gz SOABKOAWOUYQHF-RDJZCZTQSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000968683035 719734550 /nfs/dbraw/zinc/73/45/50/719734550.db2.gz XOXJQFKDJWLBPQ-AEFFLSMTSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948868755 719756206 /nfs/dbraw/zinc/75/62/06/719756206.db2.gz VXMNZICENCDDFV-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC000949123440 719919302 /nfs/dbraw/zinc/91/93/02/719919302.db2.gz CEEZYCQGLDBUGJ-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153786 719979905 /nfs/dbraw/zinc/97/99/05/719979905.db2.gz OWPNPRDLEXRSJD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153786 719979897 /nfs/dbraw/zinc/97/98/97/719979897.db2.gz OWPNPRDLEXRSJD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153786 719979900 /nfs/dbraw/zinc/97/99/00/719979900.db2.gz OWPNPRDLEXRSJD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153786 719979903 /nfs/dbraw/zinc/97/99/03/719979903.db2.gz OWPNPRDLEXRSJD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCN1CC([C@H](C)NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000969719242 720263371 /nfs/dbraw/zinc/26/33/71/720263371.db2.gz ZJTNNWHDFQMUMR-BLLLJJGKSA-N 2 1 317.437 1.413 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000970042935 720609287 /nfs/dbraw/zinc/60/92/87/720609287.db2.gz PUFMRRNMGNCOEZ-KURKYZTESA-N 2 1 311.429 1.156 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326510 720711644 /nfs/dbraw/zinc/71/16/44/720711644.db2.gz TYWLTFZBMCSIKS-NVXWUHKLSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326510 720711647 /nfs/dbraw/zinc/71/16/47/720711647.db2.gz TYWLTFZBMCSIKS-NVXWUHKLSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338357 720717966 /nfs/dbraw/zinc/71/79/66/720717966.db2.gz LNFMQQIVHVXXSG-DZGCQCFKSA-N 2 1 314.433 1.214 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970419630 720754867 /nfs/dbraw/zinc/75/48/67/720754867.db2.gz FRWRZLBXXZDBMW-HIFRSBDPSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552798 735307688 /nfs/dbraw/zinc/30/76/88/735307688.db2.gz NTSIGHUAWRWNDN-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552798 735307691 /nfs/dbraw/zinc/30/76/91/735307691.db2.gz NTSIGHUAWRWNDN-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552798 735307696 /nfs/dbraw/zinc/30/76/96/735307696.db2.gz NTSIGHUAWRWNDN-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640300 735368937 /nfs/dbraw/zinc/36/89/37/735368937.db2.gz CTIQVQOEIJVMQJ-HNNXBMFYSA-N 2 1 319.453 1.073 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001039165717 732990574 /nfs/dbraw/zinc/99/05/74/732990574.db2.gz RMMNMVQNJDMXJD-WMZOPIPTSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021599826 733357867 /nfs/dbraw/zinc/35/78/67/733357867.db2.gz KJDWMTNKQASNKO-GOEBONIOSA-N 2 1 302.422 1.841 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021599826 733357869 /nfs/dbraw/zinc/35/78/69/733357869.db2.gz KJDWMTNKQASNKO-GOEBONIOSA-N 2 1 302.422 1.841 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021636308 733390870 /nfs/dbraw/zinc/39/08/70/733390870.db2.gz OXKMKTIHCMJZJY-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636308 733390876 /nfs/dbraw/zinc/39/08/76/733390876.db2.gz OXKMKTIHCMJZJY-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001021700680 733464269 /nfs/dbraw/zinc/46/42/69/733464269.db2.gz RXUPICCXOYNMPZ-GJZGRUSLSA-N 2 1 302.422 1.841 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111766735 734867711 /nfs/dbraw/zinc/86/77/11/734867711.db2.gz AGPWZANZHMWVQD-JZXOWHBKSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038250249 734984862 /nfs/dbraw/zinc/98/48/62/734984862.db2.gz YXGMKFOFXMIWEE-DOTOQJQBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C(=O)NCCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001167667322 735012898 /nfs/dbraw/zinc/01/28/98/735012898.db2.gz IHLQKOKBMUKYBA-UHFFFAOYSA-N 2 1 313.405 1.515 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410049 735214853 /nfs/dbraw/zinc/21/48/53/735214853.db2.gz MOSQMWRSDLUATF-ZWKOTPCHSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410049 735214857 /nfs/dbraw/zinc/21/48/57/735214857.db2.gz MOSQMWRSDLUATF-ZWKOTPCHSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410049 735214859 /nfs/dbraw/zinc/21/48/59/735214859.db2.gz MOSQMWRSDLUATF-ZWKOTPCHSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468482 735846486 /nfs/dbraw/zinc/84/64/86/735846486.db2.gz KQFMDEHUYOAPJW-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468482 735846489 /nfs/dbraw/zinc/84/64/89/735846489.db2.gz KQFMDEHUYOAPJW-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468482 735846494 /nfs/dbraw/zinc/84/64/94/735846494.db2.gz KQFMDEHUYOAPJW-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468482 735846497 /nfs/dbraw/zinc/84/64/97/735846497.db2.gz KQFMDEHUYOAPJW-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468482 735846502 /nfs/dbraw/zinc/84/65/02/735846502.db2.gz KQFMDEHUYOAPJW-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253684 739237030 /nfs/dbraw/zinc/23/70/30/739237030.db2.gz FDUORIUKVFKHOP-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516399 735894237 /nfs/dbraw/zinc/89/42/37/735894237.db2.gz JYNYCJQHPBTUEI-LSDHHAIUSA-N 2 1 302.422 1.602 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3cncn3C)C(C)(C)[C@H]21 ZINC001087312212 736041951 /nfs/dbraw/zinc/04/19/51/736041951.db2.gz AWIGGGWZSYOTFU-OIISXLGYSA-N 2 1 314.433 1.201 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486154 736719451 /nfs/dbraw/zinc/71/94/51/736719451.db2.gz SESSRYIUTLRTNB-GJZGRUSLSA-N 2 1 310.401 1.798 20 30 DDEDMP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818646 736870531 /nfs/dbraw/zinc/87/05/31/736870531.db2.gz XRCVBBOUUZXXQL-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818646 736870533 /nfs/dbraw/zinc/87/05/33/736870533.db2.gz XRCVBBOUUZXXQL-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818646 736870536 /nfs/dbraw/zinc/87/05/36/736870536.db2.gz XRCVBBOUUZXXQL-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818646 736870537 /nfs/dbraw/zinc/87/05/37/736870537.db2.gz XRCVBBOUUZXXQL-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818646 736870541 /nfs/dbraw/zinc/87/05/41/736870541.db2.gz XRCVBBOUUZXXQL-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026100062 737118342 /nfs/dbraw/zinc/11/83/42/737118342.db2.gz SSURSAHNTZYLAN-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026100062 737118343 /nfs/dbraw/zinc/11/83/43/737118343.db2.gz SSURSAHNTZYLAN-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026100062 737118346 /nfs/dbraw/zinc/11/83/46/737118346.db2.gz SSURSAHNTZYLAN-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]12 ZINC001026314943 737336612 /nfs/dbraw/zinc/33/66/12/737336612.db2.gz JTADOWMWJDEJRQ-QLFBSQMISA-N 2 1 322.840 1.771 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104909012 737366422 /nfs/dbraw/zinc/36/64/22/737366422.db2.gz SVZZGXSDPCUZDA-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212595 741108964 /nfs/dbraw/zinc/10/89/64/741108964.db2.gz BISAEIDEAOGRED-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212595 741108969 /nfs/dbraw/zinc/10/89/69/741108969.db2.gz BISAEIDEAOGRED-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027446235 738301345 /nfs/dbraw/zinc/30/13/45/738301345.db2.gz CEHXDUZZKPZKHV-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CCC2)C1 ZINC001027446235 738301347 /nfs/dbraw/zinc/30/13/47/738301347.db2.gz CEHXDUZZKPZKHV-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027446235 738301349 /nfs/dbraw/zinc/30/13/49/738301349.db2.gz CEHXDUZZKPZKHV-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCC2)C1 ZINC001027446235 738301353 /nfs/dbraw/zinc/30/13/53/738301353.db2.gz CEHXDUZZKPZKHV-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CCC2)C1 ZINC001027446235 738301356 /nfs/dbraw/zinc/30/13/56/738301356.db2.gz CEHXDUZZKPZKHV-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001028333455 739366356 /nfs/dbraw/zinc/36/63/56/739366356.db2.gz LMKAZOOFUMEALS-YCOJEUHLSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001028333455 739366362 /nfs/dbraw/zinc/36/63/62/739366362.db2.gz LMKAZOOFUMEALS-YCOJEUHLSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595312 739764077 /nfs/dbraw/zinc/76/40/77/739764077.db2.gz XNGGKIWULIUOOY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595312 739764078 /nfs/dbraw/zinc/76/40/78/739764078.db2.gz XNGGKIWULIUOOY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595312 739764080 /nfs/dbraw/zinc/76/40/80/739764080.db2.gz XNGGKIWULIUOOY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035424052 751482901 /nfs/dbraw/zinc/48/29/01/751482901.db2.gz QZYUQSABFGMBQF-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035424052 751482905 /nfs/dbraw/zinc/48/29/05/751482905.db2.gz QZYUQSABFGMBQF-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035424052 751482907 /nfs/dbraw/zinc/48/29/07/751482907.db2.gz QZYUQSABFGMBQF-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035424052 751482914 /nfs/dbraw/zinc/48/29/14/751482914.db2.gz QZYUQSABFGMBQF-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845326 740104899 /nfs/dbraw/zinc/10/48/99/740104899.db2.gz IRFTWWMUDMHEGU-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845326 740104900 /nfs/dbraw/zinc/10/49/00/740104900.db2.gz IRFTWWMUDMHEGU-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636550 740686799 /nfs/dbraw/zinc/68/67/99/740686799.db2.gz WPZSHIOZKWGIAB-BBWFWOEESA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636550 740686801 /nfs/dbraw/zinc/68/68/01/740686801.db2.gz WPZSHIOZKWGIAB-BBWFWOEESA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001037939526 751577320 /nfs/dbraw/zinc/57/73/20/751577320.db2.gz GYWNQZLKOJHARQ-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088002879 740941572 /nfs/dbraw/zinc/94/15/72/740941572.db2.gz XDYVUKOEOGZOAQ-IKGGRYGDSA-N 2 1 307.482 1.929 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC)CC1 ZINC001029597544 741132095 /nfs/dbraw/zinc/13/20/95/741132095.db2.gz WZKJBSNSKRANAD-HDICACEKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001088428020 741486793 /nfs/dbraw/zinc/48/67/93/741486793.db2.gz JIIFLWQOYPVGTO-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001088428020 741486798 /nfs/dbraw/zinc/48/67/98/741486798.db2.gz JIIFLWQOYPVGTO-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517857 742097379 /nfs/dbraw/zinc/09/73/79/742097379.db2.gz LLRLMEXATFSILF-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757155 742303159 /nfs/dbraw/zinc/30/31/59/742303159.db2.gz LKBMYCMPXVFSBZ-YOUGENKZSA-N 2 1 319.449 1.005 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757155 742303164 /nfs/dbraw/zinc/30/31/64/742303164.db2.gz LKBMYCMPXVFSBZ-YOUGENKZSA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523394 742457714 /nfs/dbraw/zinc/45/77/14/742457714.db2.gz BGMVVPCDTXQGLM-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523394 742457717 /nfs/dbraw/zinc/45/77/17/742457717.db2.gz BGMVVPCDTXQGLM-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523394 742457720 /nfs/dbraw/zinc/45/77/20/742457720.db2.gz BGMVVPCDTXQGLM-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523394 742457721 /nfs/dbraw/zinc/45/77/21/742457721.db2.gz BGMVVPCDTXQGLM-ZACQAIPSSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001076243675 742622406 /nfs/dbraw/zinc/62/24/06/742622406.db2.gz CPKLXTZZWNQHMS-HLLBOEOZSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001076243675 742622410 /nfs/dbraw/zinc/62/24/10/742622410.db2.gz CPKLXTZZWNQHMS-HLLBOEOZSA-N 2 1 314.433 1.473 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCC=C)C[C@H]32)CC1 ZINC001076605734 742819317 /nfs/dbraw/zinc/81/93/17/742819317.db2.gz QBEPENRDWREYPJ-ZWKOTPCHSA-N 2 1 315.461 1.440 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002139114 742906504 /nfs/dbraw/zinc/90/65/04/742906504.db2.gz RQZVZIKNLZNOTC-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002139114 742906507 /nfs/dbraw/zinc/90/65/07/742906507.db2.gz RQZVZIKNLZNOTC-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035706310 751792796 /nfs/dbraw/zinc/79/27/96/751792796.db2.gz IGMFDJWULRHUJI-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035721208 751809178 /nfs/dbraw/zinc/80/91/78/751809178.db2.gz XECPJMKNICPRFM-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183410349 743833056 /nfs/dbraw/zinc/83/30/56/743833056.db2.gz NFOAWFHJVKRVAT-JFIYKMOQSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001184692758 744081534 /nfs/dbraw/zinc/08/15/34/744081534.db2.gz JAPXZJJXASGIKG-KGLIPLIRSA-N 2 1 320.437 1.610 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185548855 744245071 /nfs/dbraw/zinc/24/50/71/744245071.db2.gz OUOGIRVKXCIOGF-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860688 744245523 /nfs/dbraw/zinc/24/55/23/744245523.db2.gz XOTVLCVXSWPDHY-JKIFEVAISA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860688 744245524 /nfs/dbraw/zinc/24/55/24/744245524.db2.gz XOTVLCVXSWPDHY-JKIFEVAISA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860688 744245526 /nfs/dbraw/zinc/24/55/26/744245526.db2.gz XOTVLCVXSWPDHY-JKIFEVAISA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860688 744245527 /nfs/dbraw/zinc/24/55/27/744245527.db2.gz XOTVLCVXSWPDHY-JKIFEVAISA-N 2 1 309.429 1.411 20 30 DDEDMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001186411643 744393073 /nfs/dbraw/zinc/39/30/73/744393073.db2.gz CUAWPBKJJLBNBA-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971165 744418647 /nfs/dbraw/zinc/41/86/47/744418647.db2.gz FLOBANGFDQSVIB-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187982452 744642518 /nfs/dbraw/zinc/64/25/18/744642518.db2.gz LSWNXVHRGHPSCS-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982452 744642519 /nfs/dbraw/zinc/64/25/19/744642519.db2.gz LSWNXVHRGHPSCS-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992350026 744812666 /nfs/dbraw/zinc/81/26/66/744812666.db2.gz JEXGPHYNMZPCQO-MJGOQNOKSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992350026 744812669 /nfs/dbraw/zinc/81/26/69/744812669.db2.gz JEXGPHYNMZPCQO-MJGOQNOKSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992486817 744912309 /nfs/dbraw/zinc/91/23/09/744912309.db2.gz LFOGVRALUGQFEG-NVXWUHKLSA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992486817 744912312 /nfs/dbraw/zinc/91/23/12/744912312.db2.gz LFOGVRALUGQFEG-NVXWUHKLSA-N 2 1 302.422 1.881 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993494728 746176295 /nfs/dbraw/zinc/17/62/95/746176295.db2.gz QVLQMIXWOSBEPS-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993494728 746176297 /nfs/dbraw/zinc/17/62/97/746176297.db2.gz QVLQMIXWOSBEPS-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046993440 746672679 /nfs/dbraw/zinc/67/26/79/746672679.db2.gz OAIVYLFUWBGZIJ-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993440 746672681 /nfs/dbraw/zinc/67/26/81/746672681.db2.gz OAIVYLFUWBGZIJ-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993440 746672683 /nfs/dbraw/zinc/67/26/83/746672683.db2.gz OAIVYLFUWBGZIJ-KBPBESRZSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@@H]1C ZINC000994501087 746697783 /nfs/dbraw/zinc/69/77/83/746697783.db2.gz SDCLKYFWGYUUTR-FUHWJXTLSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820671 747973310 /nfs/dbraw/zinc/97/33/10/747973310.db2.gz NXQPAFYGCADMON-OWLYRPNTSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820671 747973312 /nfs/dbraw/zinc/97/33/12/747973312.db2.gz NXQPAFYGCADMON-OWLYRPNTSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820671 747973317 /nfs/dbraw/zinc/97/33/17/747973317.db2.gz NXQPAFYGCADMON-OWLYRPNTSA-N 2 1 315.461 1.273 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031875351 748091912 /nfs/dbraw/zinc/09/19/12/748091912.db2.gz OUZJBKKOUJZELE-UHFFFAOYSA-N 2 1 313.445 1.476 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479603 748253954 /nfs/dbraw/zinc/25/39/54/748253954.db2.gz SBZCUMZRZRKIDR-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721737 748328794 /nfs/dbraw/zinc/32/87/94/748328794.db2.gz ONZYCDXPZFNDCT-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004455950 748447444 /nfs/dbraw/zinc/44/74/44/748447444.db2.gz CPZJWNCBEXYEGO-MSOLQXFVSA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCCO1 ZINC001201924487 748645732 /nfs/dbraw/zinc/64/57/32/748645732.db2.gz NBURPQXGTTUVFY-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202165016 748703035 /nfs/dbraw/zinc/70/30/35/748703035.db2.gz OVPSGXFJJNEPSI-CQSZACIVSA-N 2 1 317.861 1.286 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616314 748829514 /nfs/dbraw/zinc/82/95/14/748829514.db2.gz BVHHXXSYCOBSGG-QXSJWSMHSA-N 2 1 309.429 1.411 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616314 748829522 /nfs/dbraw/zinc/82/95/22/748829522.db2.gz BVHHXXSYCOBSGG-QXSJWSMHSA-N 2 1 309.429 1.411 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357431 749261668 /nfs/dbraw/zinc/26/16/68/749261668.db2.gz FSZWOWQVYKSOBO-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357431 749261672 /nfs/dbraw/zinc/26/16/72/749261672.db2.gz FSZWOWQVYKSOBO-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357431 749261676 /nfs/dbraw/zinc/26/16/76/749261676.db2.gz FSZWOWQVYKSOBO-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357431 749261679 /nfs/dbraw/zinc/26/16/79/749261679.db2.gz FSZWOWQVYKSOBO-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995926306 749292029 /nfs/dbraw/zinc/29/20/29/749292029.db2.gz UPHMHKPQWUBZLZ-JKSUJKDBSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995926306 749292032 /nfs/dbraw/zinc/29/20/32/749292032.db2.gz UPHMHKPQWUBZLZ-JKSUJKDBSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033418112 749317115 /nfs/dbraw/zinc/31/71/15/749317115.db2.gz ZVUGCULKVLJNCQ-WMLDXEAASA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033418112 749317119 /nfs/dbraw/zinc/31/71/19/749317119.db2.gz ZVUGCULKVLJNCQ-WMLDXEAASA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033418112 749317121 /nfs/dbraw/zinc/31/71/21/749317121.db2.gz ZVUGCULKVLJNCQ-WMLDXEAASA-N 2 1 311.445 1.918 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039380330 761979888 /nfs/dbraw/zinc/97/98/88/761979888.db2.gz RJTXWEKSYYXVRD-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039380330 761979891 /nfs/dbraw/zinc/97/98/91/761979891.db2.gz RJTXWEKSYYXVRD-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039380330 761979894 /nfs/dbraw/zinc/97/98/94/761979894.db2.gz RJTXWEKSYYXVRD-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127786357 750073826 /nfs/dbraw/zinc/07/38/26/750073826.db2.gz YJTVYGBOZQHOPY-HZPDHXFCSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609452 750234430 /nfs/dbraw/zinc/23/44/30/750234430.db2.gz TUQGOZODFJYYLZ-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609452 750234433 /nfs/dbraw/zinc/23/44/33/750234433.db2.gz TUQGOZODFJYYLZ-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609452 750234439 /nfs/dbraw/zinc/23/44/39/750234439.db2.gz TUQGOZODFJYYLZ-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005639225 750733406 /nfs/dbraw/zinc/73/34/06/750733406.db2.gz GWKHSHAYYKCBLR-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040431068 750980784 /nfs/dbraw/zinc/98/07/84/750980784.db2.gz FKPHOOHWSILQJG-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997641966 751174402 /nfs/dbraw/zinc/17/44/02/751174402.db2.gz KRSGXNBYVMLKSL-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CN(C)C[C@@H](C)O1)CC2 ZINC001035196702 751279312 /nfs/dbraw/zinc/27/93/12/751279312.db2.gz CBZXXANOZBBZMD-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035196702 751279315 /nfs/dbraw/zinc/27/93/15/751279315.db2.gz CBZXXANOZBBZMD-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035196702 751279319 /nfs/dbraw/zinc/27/93/19/751279319.db2.gz CBZXXANOZBBZMD-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035196702 751279323 /nfs/dbraw/zinc/27/93/23/751279323.db2.gz CBZXXANOZBBZMD-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035196702 751279325 /nfs/dbraw/zinc/27/93/25/751279325.db2.gz CBZXXANOZBBZMD-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cncc1C)CC2 ZINC001035206363 751286767 /nfs/dbraw/zinc/28/67/67/751286767.db2.gz CFVITPDPXXPFNG-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206363 751286768 /nfs/dbraw/zinc/28/67/68/751286768.db2.gz CFVITPDPXXPFNG-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206363 751286771 /nfs/dbraw/zinc/28/67/71/751286771.db2.gz CFVITPDPXXPFNG-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186847 751287497 /nfs/dbraw/zinc/28/74/97/751287497.db2.gz LRSQPXZOKBWFDR-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186847 751287499 /nfs/dbraw/zinc/28/74/99/751287499.db2.gz LRSQPXZOKBWFDR-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186847 751287504 /nfs/dbraw/zinc/28/75/04/751287504.db2.gz LRSQPXZOKBWFDR-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035193849 751293257 /nfs/dbraw/zinc/29/32/57/751293257.db2.gz QVQFYZUQEGHTIZ-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035228000 751308050 /nfs/dbraw/zinc/30/80/50/751308050.db2.gz DDIZZVWTMPUEOE-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035228000 751308053 /nfs/dbraw/zinc/30/80/53/751308053.db2.gz DDIZZVWTMPUEOE-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035228000 751308056 /nfs/dbraw/zinc/30/80/56/751308056.db2.gz DDIZZVWTMPUEOE-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007745107 752307912 /nfs/dbraw/zinc/30/79/12/752307912.db2.gz KMGZRZHCYPKSEC-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007745107 752307918 /nfs/dbraw/zinc/30/79/18/752307918.db2.gz KMGZRZHCYPKSEC-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001007745107 752307927 /nfs/dbraw/zinc/30/79/27/752307927.db2.gz KMGZRZHCYPKSEC-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCC2)C1 ZINC000998928466 752369883 /nfs/dbraw/zinc/36/98/83/752369883.db2.gz MGOJLAFEKXSCIY-JCYILVPMSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCC2)C1 ZINC000998928466 752369892 /nfs/dbraw/zinc/36/98/92/752369892.db2.gz MGOJLAFEKXSCIY-JCYILVPMSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](OC)C1 ZINC001212416740 752628072 /nfs/dbraw/zinc/62/80/72/752628072.db2.gz QQKQGKKUHNBQLD-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212416740 752628076 /nfs/dbraw/zinc/62/80/76/752628076.db2.gz QQKQGKKUHNBQLD-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](OC)C1 ZINC001212416740 752628078 /nfs/dbraw/zinc/62/80/78/752628078.db2.gz QQKQGKKUHNBQLD-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008535348 752787833 /nfs/dbraw/zinc/78/78/33/752787833.db2.gz TUGQFSHLMBHLLR-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008535348 752787836 /nfs/dbraw/zinc/78/78/36/752787836.db2.gz TUGQFSHLMBHLLR-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999391582 752887021 /nfs/dbraw/zinc/88/70/21/752887021.db2.gz LZJOAZRTVXHAQZ-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999391582 752887025 /nfs/dbraw/zinc/88/70/25/752887025.db2.gz LZJOAZRTVXHAQZ-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999410366 752898317 /nfs/dbraw/zinc/89/83/17/752898317.db2.gz VRPBEEKRPQFQEK-MQBCKMQZSA-N 2 1 309.429 1.411 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006118676 753611756 /nfs/dbraw/zinc/61/17/56/753611756.db2.gz JMMDGLQCRZXPIS-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784713 753656193 /nfs/dbraw/zinc/65/61/93/753656193.db2.gz GPOLPDZNBOXKRB-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001032784713 753656197 /nfs/dbraw/zinc/65/61/97/753656197.db2.gz GPOLPDZNBOXKRB-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001000837322 762248629 /nfs/dbraw/zinc/24/86/29/762248629.db2.gz BTGDNIZPARTGCH-UHFFFAOYSA-N 2 1 315.461 1.634 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078725410 754320198 /nfs/dbraw/zinc/32/01/98/754320198.db2.gz NMJAQQABKODRDL-CABCVRRESA-N 2 1 305.466 1.921 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711931 755902591 /nfs/dbraw/zinc/90/25/91/755902591.db2.gz QCAMWAXLOVAIOK-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711931 755902593 /nfs/dbraw/zinc/90/25/93/755902593.db2.gz QCAMWAXLOVAIOK-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711931 755902596 /nfs/dbraw/zinc/90/25/96/755902596.db2.gz QCAMWAXLOVAIOK-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2C)CC1 ZINC001080998129 756181163 /nfs/dbraw/zinc/18/11/63/756181163.db2.gz UCICUJCUYZDPFK-TZPOZWHTSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2C)CC1 ZINC001080998129 756181166 /nfs/dbraw/zinc/18/11/66/756181166.db2.gz UCICUJCUYZDPFK-TZPOZWHTSA-N 2 1 323.868 1.521 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015326323 756242971 /nfs/dbraw/zinc/24/29/71/756242971.db2.gz YUADASNGNXLEOQ-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015326323 756242973 /nfs/dbraw/zinc/24/29/73/756242973.db2.gz YUADASNGNXLEOQ-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326323 756242975 /nfs/dbraw/zinc/24/29/75/756242975.db2.gz YUADASNGNXLEOQ-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H](OC)C1 ZINC001081767059 756472787 /nfs/dbraw/zinc/47/27/87/756472787.db2.gz PTSVCESHMFEBKT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001081767059 756472791 /nfs/dbraw/zinc/47/27/91/756472791.db2.gz PTSVCESHMFEBKT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081767059 756472794 /nfs/dbraw/zinc/47/27/94/756472794.db2.gz PTSVCESHMFEBKT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001081767059 756472797 /nfs/dbraw/zinc/47/27/97/756472797.db2.gz PTSVCESHMFEBKT-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082944221 756972076 /nfs/dbraw/zinc/97/20/76/756972076.db2.gz JYONPNNLEWJKIV-OIISXLGYSA-N 2 1 301.434 1.912 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001016385989 756980679 /nfs/dbraw/zinc/98/06/79/756980679.db2.gz WLSGUBKNFAKGGS-HNNXBMFYSA-N 2 1 317.433 1.949 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016650728 757235276 /nfs/dbraw/zinc/23/52/76/757235276.db2.gz BGSMXQZQDLALIL-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097639373 757299895 /nfs/dbraw/zinc/29/98/95/757299895.db2.gz QWAVUZHVUKMIHU-OAGGEKHMSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001097639373 757299900 /nfs/dbraw/zinc/29/99/00/757299900.db2.gz QWAVUZHVUKMIHU-OAGGEKHMSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338111 757499710 /nfs/dbraw/zinc/49/97/10/757499710.db2.gz FUYCSPDMICBKNX-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338111 757499722 /nfs/dbraw/zinc/49/97/22/757499722.db2.gz FUYCSPDMICBKNX-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338111 757499727 /nfs/dbraw/zinc/49/97/27/757499727.db2.gz FUYCSPDMICBKNX-BRWVUGGUSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357081 757509330 /nfs/dbraw/zinc/50/93/30/757509330.db2.gz GWNXDQORSBJPJK-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357081 757509335 /nfs/dbraw/zinc/50/93/35/757509335.db2.gz GWNXDQORSBJPJK-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357081 757509341 /nfs/dbraw/zinc/50/93/41/757509341.db2.gz GWNXDQORSBJPJK-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422208 757542846 /nfs/dbraw/zinc/54/28/46/757542846.db2.gz QBSPTBDSUQTFJV-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422208 757542848 /nfs/dbraw/zinc/54/28/48/757542848.db2.gz QBSPTBDSUQTFJV-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422208 757542855 /nfs/dbraw/zinc/54/28/55/757542855.db2.gz QBSPTBDSUQTFJV-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090398697 757647616 /nfs/dbraw/zinc/64/76/16/757647616.db2.gz HJEDSGMEKVDDMJ-HZPDHXFCSA-N 2 1 314.389 1.075 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853408 757983306 /nfs/dbraw/zinc/98/33/06/757983306.db2.gz NICCTPBMBMVQCF-ZACQAIPSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947816 757995850 /nfs/dbraw/zinc/99/58/50/757995850.db2.gz UTYGRACEIIJCAB-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947816 757995854 /nfs/dbraw/zinc/99/58/54/757995854.db2.gz UTYGRACEIIJCAB-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947816 757995860 /nfs/dbraw/zinc/99/58/60/757995860.db2.gz UTYGRACEIIJCAB-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947816 757995863 /nfs/dbraw/zinc/99/58/63/757995863.db2.gz UTYGRACEIIJCAB-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052948244 757997197 /nfs/dbraw/zinc/99/71/97/757997197.db2.gz ZKLQKSHRYSXKMW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052948244 757997202 /nfs/dbraw/zinc/99/72/02/757997202.db2.gz ZKLQKSHRYSXKMW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948244 757997209 /nfs/dbraw/zinc/99/72/09/757997209.db2.gz ZKLQKSHRYSXKMW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052948244 757997210 /nfs/dbraw/zinc/99/72/10/757997210.db2.gz ZKLQKSHRYSXKMW-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001149942 762593492 /nfs/dbraw/zinc/59/34/92/762593492.db2.gz CMEGYVRIHLLTNG-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001149942 762593493 /nfs/dbraw/zinc/59/34/93/762593493.db2.gz CMEGYVRIHLLTNG-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001001149942 762593494 /nfs/dbraw/zinc/59/34/94/762593494.db2.gz CMEGYVRIHLLTNG-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941551 758085223 /nfs/dbraw/zinc/08/52/23/758085223.db2.gz PAMNIRVLBGZJLJ-SQNIBIBYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018304427 758714266 /nfs/dbraw/zinc/71/42/66/758714266.db2.gz FLFCCNWITXZVLC-LUKYLMHMSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001018304427 758714276 /nfs/dbraw/zinc/71/42/76/758714276.db2.gz FLFCCNWITXZVLC-LUKYLMHMSA-N 2 1 303.450 1.558 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)CO2 ZINC001053964412 758998984 /nfs/dbraw/zinc/99/89/84/758998984.db2.gz FUIBVNQFIMFUOQ-MRXNPFEDSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054008708 759055319 /nfs/dbraw/zinc/05/53/19/759055319.db2.gz FGHQBOSNTBUUQO-OAHLLOKOSA-N 2 1 307.438 1.008 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054239713 759330940 /nfs/dbraw/zinc/33/09/40/759330940.db2.gz KHWYCHLYRAMZIW-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054239713 759330949 /nfs/dbraw/zinc/33/09/49/759330949.db2.gz KHWYCHLYRAMZIW-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054239713 759330959 /nfs/dbraw/zinc/33/09/59/759330959.db2.gz KHWYCHLYRAMZIW-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241513 759332775 /nfs/dbraw/zinc/33/27/75/759332775.db2.gz SUBOROIXPZLMNC-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241513 759332781 /nfs/dbraw/zinc/33/27/81/759332781.db2.gz SUBOROIXPZLMNC-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CC2)CC1 ZINC001085987311 760658437 /nfs/dbraw/zinc/65/84/37/760658437.db2.gz ZIWVSGLMSZQDCV-KRWDZBQOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038554117 761194211 /nfs/dbraw/zinc/19/42/11/761194211.db2.gz DWWOEWQHDQYRAH-QGZVFWFLSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038647428 761246852 /nfs/dbraw/zinc/24/68/52/761246852.db2.gz SRZHMTMYOQLGQJ-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038647428 761246856 /nfs/dbraw/zinc/24/68/56/761246856.db2.gz SRZHMTMYOQLGQJ-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040912544 762732201 /nfs/dbraw/zinc/73/22/01/762732201.db2.gz QDVNQUUEXNXCGP-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCC=C)CC2)CC1 ZINC001001472640 762894945 /nfs/dbraw/zinc/89/49/45/762894945.db2.gz TZYSPCNTSRMBTQ-UHFFFAOYSA-N 2 1 315.461 1.656 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001001492440 762912064 /nfs/dbraw/zinc/91/20/64/762912064.db2.gz PJSDYRCFSYFOBF-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC[C@@H](C)F)CC1 ZINC001001492440 762912070 /nfs/dbraw/zinc/91/20/70/762912070.db2.gz PJSDYRCFSYFOBF-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC=C)C2)C1 ZINC001041369377 762983931 /nfs/dbraw/zinc/98/39/31/762983931.db2.gz ZFCQNDRTQSMQSI-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC=C)C2)C1 ZINC001041369377 762983933 /nfs/dbraw/zinc/98/39/33/762983933.db2.gz ZFCQNDRTQSMQSI-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC=C)C2)C1 ZINC001041369377 762983934 /nfs/dbraw/zinc/98/39/34/762983934.db2.gz ZFCQNDRTQSMQSI-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC=C)C2)C1 ZINC001041369377 762983938 /nfs/dbraw/zinc/98/39/38/762983938.db2.gz ZFCQNDRTQSMQSI-PKOBYXMFSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001041368201 762984165 /nfs/dbraw/zinc/98/41/65/762984165.db2.gz KLUZRKZCZZMKFE-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CC(=C)C)C2)C1 ZINC001041368201 762984168 /nfs/dbraw/zinc/98/41/68/762984168.db2.gz KLUZRKZCZZMKFE-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(=C)C)C2)C1 ZINC001041368201 762984173 /nfs/dbraw/zinc/98/41/73/762984173.db2.gz KLUZRKZCZZMKFE-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CC(=C)C)C2)C1 ZINC001041368201 762984177 /nfs/dbraw/zinc/98/41/77/762984177.db2.gz KLUZRKZCZZMKFE-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041441342 763034004 /nfs/dbraw/zinc/03/40/04/763034004.db2.gz WYHHWJQALNLLEX-KRWDZBQOSA-N 2 1 301.434 1.172 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041790922 763336690 /nfs/dbraw/zinc/33/66/90/763336690.db2.gz CBQSONOYDWSBSM-GOSISDBHSA-N 2 1 312.417 1.319 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041790922 763336698 /nfs/dbraw/zinc/33/66/98/763336698.db2.gz CBQSONOYDWSBSM-GOSISDBHSA-N 2 1 312.417 1.319 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050565589 763759707 /nfs/dbraw/zinc/75/97/07/763759707.db2.gz GQBRNDOYIQIERT-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216679 763779714 /nfs/dbraw/zinc/77/97/14/763779714.db2.gz QMZKIFXHKVFYQE-NVXWUHKLSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042313875 763903461 /nfs/dbraw/zinc/90/34/61/763903461.db2.gz KPOFSFLOPAEYBA-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042367304 763970563 /nfs/dbraw/zinc/97/05/63/763970563.db2.gz FOISJESNBZXDIJ-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050766771 764025367 /nfs/dbraw/zinc/02/53/67/764025367.db2.gz WINRYTXCWPLGIK-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001100137199 764321377 /nfs/dbraw/zinc/32/13/77/764321377.db2.gz XUESKRZQBBFEPE-CVEARBPZSA-N 2 1 320.437 1.181 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@@H](O)C1 ZINC001100137200 764322369 /nfs/dbraw/zinc/32/23/69/764322369.db2.gz XUESKRZQBBFEPE-HOTGVXAUSA-N 2 1 320.437 1.181 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@@H](C)O2 ZINC001131678343 768268942 /nfs/dbraw/zinc/26/89/42/768268942.db2.gz XNMZDHHWUNYYGS-QAPCUYQASA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001044758127 765793202 /nfs/dbraw/zinc/79/32/02/765793202.db2.gz AYPIFXVFGZYWTI-HUUCEWRRSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052487466 765878393 /nfs/dbraw/zinc/87/83/93/765878393.db2.gz YONCAXJXMJMGFS-QGZVFWFLSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045538868 766387516 /nfs/dbraw/zinc/38/75/16/766387516.db2.gz OQGNHVQMVZPULV-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947086 766730638 /nfs/dbraw/zinc/73/06/38/766730638.db2.gz IZFWWEQNQOTALT-AEFFLSMTSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951501 766733998 /nfs/dbraw/zinc/73/39/98/766733998.db2.gz FYQXWXDVISVANX-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001045951501 766734004 /nfs/dbraw/zinc/73/40/04/766734004.db2.gz FYQXWXDVISVANX-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001114263308 766833533 /nfs/dbraw/zinc/83/35/33/766833533.db2.gz SRDJJBIKIJRLLJ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114263308 766833539 /nfs/dbraw/zinc/83/35/39/766833539.db2.gz SRDJJBIKIJRLLJ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001114263308 766833549 /nfs/dbraw/zinc/83/35/49/766833549.db2.gz SRDJJBIKIJRLLJ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001129770347 766997892 /nfs/dbraw/zinc/99/78/92/766997892.db2.gz DOSAVNMNLDKDDE-KRWDZBQOSA-N 2 1 303.450 1.680 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1=CCCCC1 ZINC001129770347 766997896 /nfs/dbraw/zinc/99/78/96/766997896.db2.gz DOSAVNMNLDKDDE-KRWDZBQOSA-N 2 1 303.450 1.680 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046562836 767691637 /nfs/dbraw/zinc/69/16/37/767691637.db2.gz SDCKDRQXOJTSGS-AEFFLSMTSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046562836 767691642 /nfs/dbraw/zinc/69/16/42/767691642.db2.gz SDCKDRQXOJTSGS-AEFFLSMTSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046562836 767691644 /nfs/dbraw/zinc/69/16/44/767691644.db2.gz SDCKDRQXOJTSGS-AEFFLSMTSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001047553484 768565678 /nfs/dbraw/zinc/56/56/78/768565678.db2.gz IHXUMGOEHSIEGN-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133166516 769556827 /nfs/dbraw/zinc/55/68/27/769556827.db2.gz UQXBZTSTODAGJT-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823596 769946620 /nfs/dbraw/zinc/94/66/20/769946620.db2.gz FTZRCYBAOWOPQL-BBWFWOEESA-N 2 1 303.450 1.295 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049483630 770914571 /nfs/dbraw/zinc/91/45/71/770914571.db2.gz BAACMUZFYGHXBW-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049483630 770914574 /nfs/dbraw/zinc/91/45/74/770914574.db2.gz BAACMUZFYGHXBW-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049483630 770914579 /nfs/dbraw/zinc/91/45/79/770914579.db2.gz BAACMUZFYGHXBW-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718760 771111569 /nfs/dbraw/zinc/11/15/69/771111569.db2.gz NJIQUVPEJKPMSE-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718760 771111570 /nfs/dbraw/zinc/11/15/70/771111570.db2.gz NJIQUVPEJKPMSE-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718760 771111572 /nfs/dbraw/zinc/11/15/72/771111572.db2.gz NJIQUVPEJKPMSE-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899987 771244517 /nfs/dbraw/zinc/24/45/17/771244517.db2.gz HYPJICAMKOIPRD-HOTGVXAUSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899987 771244518 /nfs/dbraw/zinc/24/45/18/771244518.db2.gz HYPJICAMKOIPRD-HOTGVXAUSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049916664 771257070 /nfs/dbraw/zinc/25/70/70/771257070.db2.gz FHYDBHHBBJZWQW-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049916664 771257071 /nfs/dbraw/zinc/25/70/71/771257071.db2.gz FHYDBHHBBJZWQW-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049916664 771257074 /nfs/dbraw/zinc/25/70/74/771257074.db2.gz FHYDBHHBBJZWQW-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001100344734 771635970 /nfs/dbraw/zinc/63/59/70/771635970.db2.gz FCHKZQRFJHSZKR-SJJHQCBESA-N 2 1 323.481 1.404 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001135995328 771825341 /nfs/dbraw/zinc/82/53/41/771825341.db2.gz CWUHLEZOIZOUBY-HZPDHXFCSA-N 2 1 311.470 1.241 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001098493052 772296510 /nfs/dbraw/zinc/29/65/10/772296510.db2.gz ROCYJILNDCLBGV-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148160456 773378571 /nfs/dbraw/zinc/37/85/71/773378571.db2.gz IBKPKFPIKQHDAE-UHFFFAOYSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148605362 773532385 /nfs/dbraw/zinc/53/23/85/773532385.db2.gz PJRRLMQUCRSQQU-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148605362 773532387 /nfs/dbraw/zinc/53/23/87/773532387.db2.gz PJRRLMQUCRSQQU-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148605362 773532392 /nfs/dbraw/zinc/53/23/92/773532392.db2.gz PJRRLMQUCRSQQU-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956769 773744399 /nfs/dbraw/zinc/74/43/99/773744399.db2.gz XDJDMRJEDZOIFX-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823911 773830846 /nfs/dbraw/zinc/83/08/46/773830846.db2.gz LBNDTMIGBUTYIE-APWZRJJASA-N 2 1 322.412 1.752 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036772976 774565831 /nfs/dbraw/zinc/56/58/31/774565831.db2.gz FTOFWZFDNFHTNQ-RHSMWYFYSA-N 2 1 308.385 1.504 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773034 774567209 /nfs/dbraw/zinc/56/72/09/774567209.db2.gz GNDWSNYAMPEAHF-LSDHHAIUSA-N 2 1 322.840 1.867 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773034 774567212 /nfs/dbraw/zinc/56/72/12/774567212.db2.gz GNDWSNYAMPEAHF-LSDHHAIUSA-N 2 1 322.840 1.867 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099030118 774781790 /nfs/dbraw/zinc/78/17/90/774781790.db2.gz WTIAWWOSDFDIEN-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001099030118 774781796 /nfs/dbraw/zinc/78/17/96/774781796.db2.gz WTIAWWOSDFDIEN-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001099030118 774781802 /nfs/dbraw/zinc/78/18/02/774781802.db2.gz WTIAWWOSDFDIEN-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036870758 775007028 /nfs/dbraw/zinc/00/70/28/775007028.db2.gz AAWCSSWOMUWCBQ-JKSUJKDBSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CCC ZINC001099547174 775024284 /nfs/dbraw/zinc/02/42/84/775024284.db2.gz AOUHROGNWBRLOB-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547174 775024290 /nfs/dbraw/zinc/02/42/90/775024290.db2.gz AOUHROGNWBRLOB-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CCC ZINC001099547174 775024297 /nfs/dbraw/zinc/02/42/97/775024297.db2.gz AOUHROGNWBRLOB-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001099942095 775451157 /nfs/dbraw/zinc/45/11/57/775451157.db2.gz MDRSRWUAGTWIIF-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127551 775712957 /nfs/dbraw/zinc/71/29/57/775712957.db2.gz WUCHTXYEHAGGJA-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560611 776028642 /nfs/dbraw/zinc/02/86/42/776028642.db2.gz TZCRKJWYUCEOCD-SJLPKXTDSA-N 2 1 315.461 1.466 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC=C)C2)CC1 ZINC001036902591 776076988 /nfs/dbraw/zinc/07/69/88/776076988.db2.gz MRIYKQCVAIWLFL-MSOLQXFVSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001100615235 776367749 /nfs/dbraw/zinc/36/77/49/776367749.db2.gz PYRUEVGOUNLSJN-PCKAHOCUSA-N 2 1 314.433 1.262 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001100721097 776472025 /nfs/dbraw/zinc/47/20/25/776472025.db2.gz CXVFXFGTCABSHG-UHFFFAOYSA-N 2 1 302.422 1.514 20 30 DDEDMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)CCCC#N)CC[C@@H]2C1 ZINC001172496113 776801126 /nfs/dbraw/zinc/80/11/26/776801126.db2.gz XNIYYJWKDPSLLP-BRWVUGGUSA-N 2 1 309.454 1.738 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)CCCC#N)CC[C@@H]2C1 ZINC001172496113 776801139 /nfs/dbraw/zinc/80/11/39/776801139.db2.gz XNIYYJWKDPSLLP-BRWVUGGUSA-N 2 1 309.454 1.738 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)CCCC#N)CC[C@@H]2C1 ZINC001172496113 776801149 /nfs/dbraw/zinc/80/11/49/776801149.db2.gz XNIYYJWKDPSLLP-BRWVUGGUSA-N 2 1 309.454 1.738 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101035000 776844128 /nfs/dbraw/zinc/84/41/28/776844128.db2.gz UESNTVXNNWMNLM-VJFUWPCTSA-N 2 1 313.445 1.797 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101299968 777046943 /nfs/dbraw/zinc/04/69/43/777046943.db2.gz BGZKJIQCGFMWLV-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101299968 777046950 /nfs/dbraw/zinc/04/69/50/777046950.db2.gz BGZKJIQCGFMWLV-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102294188 778020445 /nfs/dbraw/zinc/02/04/45/778020445.db2.gz NNHHSKSYNZXTPF-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150588681 778138895 /nfs/dbraw/zinc/13/88/95/778138895.db2.gz QWFCRAOEKYLUHL-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588681 778138898 /nfs/dbraw/zinc/13/88/98/778138898.db2.gz QWFCRAOEKYLUHL-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588681 778138899 /nfs/dbraw/zinc/13/88/99/778138899.db2.gz QWFCRAOEKYLUHL-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583000 778223803 /nfs/dbraw/zinc/22/38/03/778223803.db2.gz JYXWQCUNKMPYJL-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878665 779209917 /nfs/dbraw/zinc/20/99/17/779209917.db2.gz VYQLSUXAIRIBCC-BBWFWOEESA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981880 779241591 /nfs/dbraw/zinc/24/15/91/779241591.db2.gz GMBPPCJLDBKAJK-FXUDXRNXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981880 779241594 /nfs/dbraw/zinc/24/15/94/779241594.db2.gz GMBPPCJLDBKAJK-FXUDXRNXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179029349 779268754 /nfs/dbraw/zinc/26/87/54/779268754.db2.gz FPVRGBBZEFNLLR-UHFFFAOYSA-N 2 1 322.453 1.660 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719395 779468059 /nfs/dbraw/zinc/46/80/59/779468059.db2.gz FDHUKELOOCLXGS-HOCLYGCPSA-N 2 1 302.422 1.574 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001119297407 781397112 /nfs/dbraw/zinc/39/71/12/781397112.db2.gz MXSHJTOEKZFXJV-HRCADAONSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+](C)C)C1 ZINC001119297407 781397117 /nfs/dbraw/zinc/39/71/17/781397117.db2.gz MXSHJTOEKZFXJV-HRCADAONSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267278799 837729855 /nfs/dbraw/zinc/72/98/55/837729855.db2.gz QSCQRKLBLOESFJ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001271796364 844115326 /nfs/dbraw/zinc/11/53/26/844115326.db2.gz BLRWOFUAEQDMLP-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266473000 836315762 /nfs/dbraw/zinc/31/57/62/836315762.db2.gz UNBYWIYLRCMZOO-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487122 836334365 /nfs/dbraw/zinc/33/43/65/836334365.db2.gz UHBVLNRXQYTGBN-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487122 836334378 /nfs/dbraw/zinc/33/43/78/836334378.db2.gz UHBVLNRXQYTGBN-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267817743 839023408 /nfs/dbraw/zinc/02/34/08/839023408.db2.gz RIHCVKUBLRENMJ-GJZGRUSLSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001268015388 839375482 /nfs/dbraw/zinc/37/54/82/839375482.db2.gz LJHXOTLCQICXON-INIZCTEOSA-N 2 1 301.434 1.484 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268015388 839375491 /nfs/dbraw/zinc/37/54/91/839375491.db2.gz LJHXOTLCQICXON-INIZCTEOSA-N 2 1 301.434 1.484 20 30 DDEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001268226626 839859341 /nfs/dbraw/zinc/85/93/41/839859341.db2.gz CABFSHQONDWIQC-HZPDHXFCSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001268226626 839859347 /nfs/dbraw/zinc/85/93/47/839859347.db2.gz CABFSHQONDWIQC-HZPDHXFCSA-N 2 1 311.470 1.404 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001269738200 841989632 /nfs/dbraw/zinc/98/96/32/841989632.db2.gz YPOHXIGNCBCBJY-KRWDZBQOSA-N 2 1 303.450 1.276 20 30 DDEDMP COCC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001271678757 843778059 /nfs/dbraw/zinc/77/80/59/843778059.db2.gz STAKEPQXASTQTH-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001271749829 843837565 /nfs/dbraw/zinc/83/75/65/843837565.db2.gz INMXQONMNPVFSE-BCDXTJNWSA-N 2 1 317.477 1.711 20 30 DDEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001272152058 844664719 /nfs/dbraw/zinc/66/47/19/844664719.db2.gz NOMLQPLQDZSVSR-IRXDYDNUSA-N 2 1 323.481 1.147 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001272225005 844772081 /nfs/dbraw/zinc/77/20/81/844772081.db2.gz OXYXKMQDDBOOCQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001409483937 845169689 /nfs/dbraw/zinc/16/96/89/845169689.db2.gz ZUZNJYGEWJOMRR-OLZOCXBDSA-N 2 1 322.478 1.943 20 30 DDEDMP N#CCCCN1CC[C@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272809133 847462683 /nfs/dbraw/zinc/46/26/83/847462683.db2.gz XWUFRZLQQOLXCO-KRWDZBQOSA-N 2 1 313.405 1.222 20 30 DDEDMP N#CCCCN1CC[C@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272809133 847462686 /nfs/dbraw/zinc/46/26/86/847462686.db2.gz XWUFRZLQQOLXCO-KRWDZBQOSA-N 2 1 313.405 1.222 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001272888083 847592010 /nfs/dbraw/zinc/59/20/10/847592010.db2.gz OCJLRTPYEWKUCH-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@H+](CC3(C[NH+](C)C)CCCC3)C2)C1=O ZINC001273127688 847960218 /nfs/dbraw/zinc/96/02/18/847960218.db2.gz FJXADFGONYJPCR-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364079 848417072 /nfs/dbraw/zinc/41/70/72/848417072.db2.gz PZYJGKLYPBKEBQ-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034364079 848417077 /nfs/dbraw/zinc/41/70/77/848417077.db2.gz PZYJGKLYPBKEBQ-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034364079 848417084 /nfs/dbraw/zinc/41/70/84/848417084.db2.gz PZYJGKLYPBKEBQ-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034364079 848417090 /nfs/dbraw/zinc/41/70/90/848417090.db2.gz PZYJGKLYPBKEBQ-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP N#Cc1cc2nc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)ccc2[nH]1 ZINC001155375640 862008041 /nfs/dbraw/zinc/00/80/41/862008041.db2.gz GLQGRUCTDGWENQ-AWEZNQCLSA-N 2 1 310.405 1.294 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001273931136 851525165 /nfs/dbraw/zinc/52/51/65/851525165.db2.gz YLKRIRACZBSYMR-QGZVFWFLSA-N 2 1 311.470 1.238 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150588963 862335866 /nfs/dbraw/zinc/33/58/66/862335866.db2.gz RKSRRJJOAFJKCK-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588963 862335885 /nfs/dbraw/zinc/33/58/85/862335885.db2.gz RKSRRJJOAFJKCK-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588963 862335904 /nfs/dbraw/zinc/33/59/04/862335904.db2.gz RKSRRJJOAFJKCK-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001274655795 852491048 /nfs/dbraw/zinc/49/10/48/852491048.db2.gz SRKZTXAATFIHGN-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001274655795 852491055 /nfs/dbraw/zinc/49/10/55/852491055.db2.gz SRKZTXAATFIHGN-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001275108745 852813729 /nfs/dbraw/zinc/81/37/29/852813729.db2.gz PCWWEEWHPSBCPM-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275108745 852813735 /nfs/dbraw/zinc/81/37/35/852813735.db2.gz PCWWEEWHPSBCPM-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001275108745 852813740 /nfs/dbraw/zinc/81/37/40/852813740.db2.gz PCWWEEWHPSBCPM-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001275290228 852957671 /nfs/dbraw/zinc/95/76/71/852957671.db2.gz AOUCIDDRDNCSGH-MSOLQXFVSA-N 2 1 314.433 1.005 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001275290228 852957678 /nfs/dbraw/zinc/95/76/78/852957678.db2.gz AOUCIDDRDNCSGH-MSOLQXFVSA-N 2 1 314.433 1.005 20 30 DDEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942304 863466749 /nfs/dbraw/zinc/46/67/49/863466749.db2.gz KQFPJSKUAYKHSI-CQSZACIVSA-N 2 1 308.426 1.221 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942304 863466758 /nfs/dbraw/zinc/46/67/58/863466758.db2.gz KQFPJSKUAYKHSI-CQSZACIVSA-N 2 1 308.426 1.221 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568393 856989034 /nfs/dbraw/zinc/98/90/34/856989034.db2.gz UACKCTFGOUBXKR-DLBZAZTESA-N 2 1 315.461 1.703 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850209 857797943 /nfs/dbraw/zinc/79/79/43/857797943.db2.gz SKBKCQIEHBDMPU-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850209 857797938 /nfs/dbraw/zinc/79/79/38/857797938.db2.gz SKBKCQIEHBDMPU-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850209 857797945 /nfs/dbraw/zinc/79/79/45/857797945.db2.gz SKBKCQIEHBDMPU-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC(=C)C)C1 ZINC001276995960 881528236 /nfs/dbraw/zinc/52/82/36/881528236.db2.gz QIYCQQUBXDOQNQ-ULQDDVLXSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC(=C)C)C1 ZINC001276995960 881528247 /nfs/dbraw/zinc/52/82/47/881528247.db2.gz QIYCQQUBXDOQNQ-ULQDDVLXSA-N 2 1 303.450 1.535 20 30 DDEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154339992 861019355 /nfs/dbraw/zinc/01/93/55/861019355.db2.gz CLTWUQUXFAQZSO-CQSZACIVSA-N 2 1 304.438 1.775 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154339992 861019364 /nfs/dbraw/zinc/01/93/64/861019364.db2.gz CLTWUQUXFAQZSO-CQSZACIVSA-N 2 1 304.438 1.775 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001328738601 863186213 /nfs/dbraw/zinc/18/62/13/863186213.db2.gz WFEXUIGEDSABKR-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001329935252 863954298 /nfs/dbraw/zinc/95/42/98/863954298.db2.gz ABDYJPMTDGZNLZ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001330186533 864137010 /nfs/dbraw/zinc/13/70/10/864137010.db2.gz YZHXCVVCCRZZIE-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001330186533 864137015 /nfs/dbraw/zinc/13/70/15/864137015.db2.gz YZHXCVVCCRZZIE-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001330186533 864137021 /nfs/dbraw/zinc/13/70/21/864137021.db2.gz YZHXCVVCCRZZIE-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001330186533 864137023 /nfs/dbraw/zinc/13/70/23/864137023.db2.gz YZHXCVVCCRZZIE-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC001330917850 864701612 /nfs/dbraw/zinc/70/16/12/864701612.db2.gz SILLKRAKJBCRNP-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC001330917850 864701620 /nfs/dbraw/zinc/70/16/20/864701620.db2.gz SILLKRAKJBCRNP-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001331279220 864984151 /nfs/dbraw/zinc/98/41/51/864984151.db2.gz BXONDORNULLCDL-DLBZAZTESA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001332202543 865660557 /nfs/dbraw/zinc/66/05/57/865660557.db2.gz BXQMSKJDHHNTJB-NVXWUHKLSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001160198248 865721876 /nfs/dbraw/zinc/72/18/76/865721876.db2.gz YJEBMTOKHJFXAU-SFHVURJKSA-N 2 1 324.428 1.252 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001160198248 865721882 /nfs/dbraw/zinc/72/18/82/865721882.db2.gz YJEBMTOKHJFXAU-SFHVURJKSA-N 2 1 324.428 1.252 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001320260780 866595464 /nfs/dbraw/zinc/59/54/64/866595464.db2.gz BGAIYTMUJLRBGS-SJORKVTESA-N 2 1 323.481 1.426 20 30 DDEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c(F)c1 ZINC001333480708 866782722 /nfs/dbraw/zinc/78/27/22/866782722.db2.gz WWDYYDXHWUSBCS-INIZCTEOSA-N 2 1 317.408 1.507 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)(COC)CC1 ZINC001162482445 867567817 /nfs/dbraw/zinc/56/78/17/867567817.db2.gz PEDUPLTUVRNHDX-HOTGVXAUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001324923287 867630321 /nfs/dbraw/zinc/63/03/21/867630321.db2.gz XOHQLFUPALCFMA-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001324923287 867630326 /nfs/dbraw/zinc/63/03/26/867630326.db2.gz XOHQLFUPALCFMA-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001324923287 867630332 /nfs/dbraw/zinc/63/03/32/867630332.db2.gz XOHQLFUPALCFMA-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001324935321 867640206 /nfs/dbraw/zinc/64/02/06/867640206.db2.gz CUFWRURSNYAKJB-IEBWSBKVSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001321989568 867920372 /nfs/dbraw/zinc/92/03/72/867920372.db2.gz BTLOYEKMJZUKLS-ZFWWWQNUSA-N 2 1 320.437 1.051 20 30 DDEDMP C#CCCC1(CCNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)N=N1 ZINC001163380037 868406066 /nfs/dbraw/zinc/40/60/66/868406066.db2.gz PDDBIQYOCMTPRR-UHFFFAOYSA-N 2 1 313.409 1.782 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001337884659 869668671 /nfs/dbraw/zinc/66/86/71/869668671.db2.gz KCUWUGKLFPMMJT-QAETUUGQSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@H]([NH+](C)C)C[C@H]2C1 ZINC001337884659 869668676 /nfs/dbraw/zinc/66/86/76/869668676.db2.gz KCUWUGKLFPMMJT-QAETUUGQSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203793720 870762190 /nfs/dbraw/zinc/76/21/90/870762190.db2.gz SVYOUDJWIUNXEX-CVEARBPZSA-N 2 1 323.481 1.546 20 30 DDEDMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001317763036 871476871 /nfs/dbraw/zinc/47/68/71/871476871.db2.gz HUMXOPXIZZIUER-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001317763036 871476874 /nfs/dbraw/zinc/47/68/74/871476874.db2.gz HUMXOPXIZZIUER-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001317763036 871476877 /nfs/dbraw/zinc/47/68/77/871476877.db2.gz HUMXOPXIZZIUER-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001317763036 871476879 /nfs/dbraw/zinc/47/68/79/871476879.db2.gz HUMXOPXIZZIUER-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH+]1CCC(CCNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001319031322 872407097 /nfs/dbraw/zinc/40/70/97/872407097.db2.gz GOKDDYFWCVFECP-INIZCTEOSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001319246555 872518362 /nfs/dbraw/zinc/51/83/62/872518362.db2.gz RHJNXKOHDUZVCL-RHSMWYFYSA-N 2 1 311.445 1.564 20 30 DDEDMP C=CC[N@H+](C)CCOCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001479677928 872561509 /nfs/dbraw/zinc/56/15/09/872561509.db2.gz CTECIONBDQCAEB-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207437032 873269634 /nfs/dbraw/zinc/26/96/34/873269634.db2.gz OJXYDNUGKRZIIY-INIZCTEOSA-N 2 1 304.438 1.522 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013770 873748971 /nfs/dbraw/zinc/74/89/71/873748971.db2.gz JSFNNSKJHMHWPC-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@H+]3C2)C1 ZINC001347317083 874097601 /nfs/dbraw/zinc/09/76/01/874097601.db2.gz NWEYSNOMPZDELZ-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)C1 ZINC001347317083 874097617 /nfs/dbraw/zinc/09/76/17/874097617.db2.gz NWEYSNOMPZDELZ-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[NH+]3C2)C1 ZINC001347317083 874097631 /nfs/dbraw/zinc/09/76/31/874097631.db2.gz NWEYSNOMPZDELZ-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[NH+]3C2)C1 ZINC001347317083 874097643 /nfs/dbraw/zinc/09/76/43/874097643.db2.gz NWEYSNOMPZDELZ-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001349844775 875407390 /nfs/dbraw/zinc/40/73/90/875407390.db2.gz AEVZIWXUBDLTPF-KRWDZBQOSA-N 2 1 312.417 1.264 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cc[nH+]cc2)CC1 ZINC001349844775 875407398 /nfs/dbraw/zinc/40/73/98/875407398.db2.gz AEVZIWXUBDLTPF-KRWDZBQOSA-N 2 1 312.417 1.264 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378852193 875772252 /nfs/dbraw/zinc/77/22/52/875772252.db2.gz KQUWXZXZWIKGSB-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC)C1 ZINC001214880417 876491649 /nfs/dbraw/zinc/49/16/49/876491649.db2.gz IEUHEYYPBYOKLH-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCCC)C1 ZINC001214880417 876491658 /nfs/dbraw/zinc/49/16/58/876491658.db2.gz IEUHEYYPBYOKLH-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001276747991 877063553 /nfs/dbraw/zinc/06/35/53/877063553.db2.gz HZAIPYSXPPEMKY-WCXIOVBPSA-N 2 1 303.450 1.034 20 30 DDEDMP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(OCC#N)cc1)C2 ZINC001276775229 877413311 /nfs/dbraw/zinc/41/33/11/877413311.db2.gz FEKXIZKIKFTQMS-UHFFFAOYSA-N 2 1 314.433 1.411 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379596355 877474976 /nfs/dbraw/zinc/47/49/76/877474976.db2.gz FDBJFEYGVCSMFZ-JSGCOSHPSA-N 2 1 318.396 1.243 20 30 DDEDMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(O)C(=N)c1ccccc1N ZINC001218967505 877838846 /nfs/dbraw/zinc/83/88/46/877838846.db2.gz CRJOAHUBHVYXHG-AWEZNQCLSA-N 2 1 321.425 1.308 20 30 DDEDMP C[C@@H]1C[N@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C[C@H](C)O1 ZINC001356571139 879104540 /nfs/dbraw/zinc/10/45/40/879104540.db2.gz QBSRARCSOVJGBC-XHSDSOJGSA-N 2 1 309.454 1.520 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001357269073 879882466 /nfs/dbraw/zinc/88/24/66/879882466.db2.gz OTXODSIUDFVMJQ-CWRNSKLLSA-N 2 1 306.454 1.276 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001224128973 881229742 /nfs/dbraw/zinc/22/97/42/881229742.db2.gz BMTVLKQQANPHIE-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224128973 881229755 /nfs/dbraw/zinc/22/97/55/881229755.db2.gz BMTVLKQQANPHIE-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001224128973 881229769 /nfs/dbraw/zinc/22/97/69/881229769.db2.gz BMTVLKQQANPHIE-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)COC1CC[NH+](C)CC1 ZINC001276950663 881239398 /nfs/dbraw/zinc/23/93/98/881239398.db2.gz ZIZDJCJAGOTDDL-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001276954677 881285793 /nfs/dbraw/zinc/28/57/93/881285793.db2.gz BDOKUTRLHSBKRC-KLHDSHLOSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001276954677 881285803 /nfs/dbraw/zinc/28/58/03/881285803.db2.gz BDOKUTRLHSBKRC-KLHDSHLOSA-N 2 1 309.454 1.156 20 30 DDEDMP C[N@H+]1CCC[C@@H](CN2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146727 889849661 /nfs/dbraw/zinc/84/96/61/889849661.db2.gz GVMLYSOJJLOVRP-HUUCEWRRSA-N 2 1 316.449 1.213 20 30 DDEDMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146727 889849669 /nfs/dbraw/zinc/84/96/69/889849669.db2.gz GVMLYSOJJLOVRP-HUUCEWRRSA-N 2 1 316.449 1.213 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146727 889849677 /nfs/dbraw/zinc/84/96/77/889849677.db2.gz GVMLYSOJJLOVRP-HUUCEWRRSA-N 2 1 316.449 1.213 20 30 DDEDMP C=CCCCCCC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001253248156 895747206 /nfs/dbraw/zinc/74/72/06/895747206.db2.gz QPJGIYASEYTXRH-QGZVFWFLSA-N 2 1 316.486 1.140 20 30 DDEDMP C=CCCCCCC[C@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001253248155 895748344 /nfs/dbraw/zinc/74/83/44/895748344.db2.gz QPJGIYASEYTXRH-KRWDZBQOSA-N 2 1 316.486 1.140 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001367387678 896634518 /nfs/dbraw/zinc/63/45/18/896634518.db2.gz RYLNUDNBWCOYNU-OCCSQVGLSA-N 2 1 324.856 1.943 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001390509611 899571711 /nfs/dbraw/zinc/57/17/11/899571711.db2.gz OXPPKCVXUNUJFX-CYBMUJFWSA-N 2 1 320.412 1.633 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001390883945 900436650 /nfs/dbraw/zinc/43/66/50/900436650.db2.gz CZMFHIRWGTVPEO-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001390883945 900436663 /nfs/dbraw/zinc/43/66/63/900436663.db2.gz CZMFHIRWGTVPEO-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001390883945 900436668 /nfs/dbraw/zinc/43/66/68/900436668.db2.gz CZMFHIRWGTVPEO-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001264177799 900997237 /nfs/dbraw/zinc/99/72/37/900997237.db2.gz FOJDILBDQUHIDK-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369308125 901027202 /nfs/dbraw/zinc/02/72/02/901027202.db2.gz SDWYVMRHHQNMGJ-RYUDHWBXSA-N 2 1 318.259 1.283 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001264632712 901233797 /nfs/dbraw/zinc/23/37/97/901233797.db2.gz PIBIEBWHYKFUFA-MRXNPFEDSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001264636156 901238630 /nfs/dbraw/zinc/23/86/30/901238630.db2.gz OQSVHWCFLNFTJJ-IAGOWNOFSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001264636156 901238646 /nfs/dbraw/zinc/23/86/46/901238646.db2.gz OQSVHWCFLNFTJJ-IAGOWNOFSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001264636156 901238660 /nfs/dbraw/zinc/23/86/60/901238660.db2.gz OQSVHWCFLNFTJJ-IAGOWNOFSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001265218896 901725754 /nfs/dbraw/zinc/72/57/54/901725754.db2.gz OACGRPLXKXPRNE-INIZCTEOSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265560624 902134597 /nfs/dbraw/zinc/13/45/97/902134597.db2.gz XRLORPRXVMQQIM-BBWFWOEESA-N 2 1 323.481 1.689 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001265813384 902431879 /nfs/dbraw/zinc/43/18/79/902431879.db2.gz PSMPWPRLWBMEOM-RDJZCZTQSA-N 2 1 305.466 1.901 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001370833748 903811987 /nfs/dbraw/zinc/81/19/87/903811987.db2.gz TWLIFRMLPQHRTK-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392611982 904607739 /nfs/dbraw/zinc/60/77/39/904607739.db2.gz DSNLIANVVFAVPQ-BBRMVZONSA-N 2 1 300.406 1.104 20 30 DDEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281612878 905091880 /nfs/dbraw/zinc/09/18/80/905091880.db2.gz HSYWHDGFYFOFPG-INIZCTEOSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001281941438 905335922 /nfs/dbraw/zinc/33/59/22/905335922.db2.gz HWZKBYUPNVJBBF-MRXNPFEDSA-N 2 1 303.450 1.561 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001282213192 905619841 /nfs/dbraw/zinc/61/98/41/905619841.db2.gz CLSWPFOBLWGWQC-DLBZAZTESA-N 2 1 315.461 1.863 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC001282619247 905904850 /nfs/dbraw/zinc/90/48/50/905904850.db2.gz NVASZNXVMWZPER-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001283449613 907370917 /nfs/dbraw/zinc/37/09/17/907370917.db2.gz NETFFZBJCFBMSZ-IAGOWNOFSA-N 2 1 307.482 1.861 20 30 DDEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001284502315 909097379 /nfs/dbraw/zinc/09/73/79/909097379.db2.gz NFPVYUHSLCYVOD-IRXDYDNUSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001284502315 909097395 /nfs/dbraw/zinc/09/73/95/909097395.db2.gz NFPVYUHSLCYVOD-IRXDYDNUSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001284502315 909097404 /nfs/dbraw/zinc/09/74/04/909097404.db2.gz NFPVYUHSLCYVOD-IRXDYDNUSA-N 2 1 323.481 1.331 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCOC)C(C)(C)C ZINC001284597956 909229241 /nfs/dbraw/zinc/22/92/41/909229241.db2.gz KMLLOYQMPBWQTP-HOTGVXAUSA-N 2 1 323.481 1.241 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCOC)C(C)(C)C ZINC001284597956 909229249 /nfs/dbraw/zinc/22/92/49/909229249.db2.gz KMLLOYQMPBWQTP-HOTGVXAUSA-N 2 1 323.481 1.241 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001284702701 909372791 /nfs/dbraw/zinc/37/27/91/909372791.db2.gz VNNCFOSUSFUHJD-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC001377413693 921810559 /nfs/dbraw/zinc/81/05/59/921810559.db2.gz QIGKZZFIVDTPFZ-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000615779430 362437089 /nfs/dbraw/zinc/43/70/89/362437089.db2.gz BCPVIHZOHBSWPB-KBPBESRZSA-N 2 1 301.394 1.471 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000092797473 282395044 /nfs/dbraw/zinc/39/50/44/282395044.db2.gz XCLPRBTUVKVEJD-INIZCTEOSA-N 2 1 306.454 1.699 20 30 DDEDMP C[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730675 354282467 /nfs/dbraw/zinc/28/24/67/354282467.db2.gz GMVKAZHDMFCIHC-HOTGVXAUSA-N 2 1 320.481 1.991 20 30 DDEDMP C=CCCn1cc(CN2CC[C@@H]([NH+]3CCN(CC)CC3)C2)nn1 ZINC000593958944 356072799 /nfs/dbraw/zinc/07/27/99/356072799.db2.gz MZEIBHVFSYSLMX-QGZVFWFLSA-N 2 1 318.469 1.066 20 30 DDEDMP N#CCN1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000594495326 356237796 /nfs/dbraw/zinc/23/77/96/356237796.db2.gz QMGRBIYLJOWTHW-QGZVFWFLSA-N 2 1 306.454 1.207 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000081396288 192259905 /nfs/dbraw/zinc/25/99/05/192259905.db2.gz CRNWYPNPLQDQOO-HZPDHXFCSA-N 2 1 309.454 1.132 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000081396288 192259906 /nfs/dbraw/zinc/25/99/06/192259906.db2.gz CRNWYPNPLQDQOO-HZPDHXFCSA-N 2 1 309.454 1.132 20 30 DDEDMP N#Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000603159959 359447110 /nfs/dbraw/zinc/44/71/10/359447110.db2.gz FAFBMAZCDNZNGM-UHFFFAOYSA-N 2 1 310.405 1.164 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)C#N ZINC000358626718 285244237 /nfs/dbraw/zinc/24/42/37/285244237.db2.gz MTBHZTMUZRQSQE-OAHLLOKOSA-N 2 1 323.485 1.594 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000152625565 407663558 /nfs/dbraw/zinc/66/35/58/407663558.db2.gz ZRKRLSOMLZNZQE-ZIAGYGMSSA-N 2 1 301.438 1.680 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162459055 408704542 /nfs/dbraw/zinc/70/45/42/408704542.db2.gz UKPVMCPDMQCKOM-MAUKXSAKSA-N 2 1 318.465 1.980 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000356975402 409760871 /nfs/dbraw/zinc/76/08/71/409760871.db2.gz AZDDGOLXVMSHRK-INIZCTEOSA-N 2 1 306.454 1.412 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000356975402 409760880 /nfs/dbraw/zinc/76/08/80/409760880.db2.gz AZDDGOLXVMSHRK-INIZCTEOSA-N 2 1 306.454 1.412 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000356975402 409760891 /nfs/dbraw/zinc/76/08/91/409760891.db2.gz AZDDGOLXVMSHRK-INIZCTEOSA-N 2 1 306.454 1.412 20 30 DDEDMP CNC(=O)[C@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1c1cnn(C)c1 ZINC000329113936 410109671 /nfs/dbraw/zinc/10/96/71/410109671.db2.gz HNOJBRDZRPPMFW-OAGGEKHMSA-N 2 1 319.453 1.506 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSCC#N ZINC000337578383 410871402 /nfs/dbraw/zinc/87/14/02/410871402.db2.gz LBSWNHRDVKEYAU-CQSZACIVSA-N 2 1 312.483 1.118 20 30 DDEDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000344161596 410998879 /nfs/dbraw/zinc/99/88/79/410998879.db2.gz GSWCDUXIENIXKI-RHSMWYFYSA-N 2 1 314.433 1.796 20 30 DDEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1 ZINC000049037095 418475878 /nfs/dbraw/zinc/47/58/78/418475878.db2.gz DBKJAXLCJUCMFZ-KRWDZBQOSA-N 2 1 304.434 1.839 20 30 DDEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261985815 222266047 /nfs/dbraw/zinc/26/60/47/222266047.db2.gz QACMHBDNWPSLPM-HOCLYGCPSA-N 3 1 318.469 1.436 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261985815 222266050 /nfs/dbraw/zinc/26/60/50/222266050.db2.gz QACMHBDNWPSLPM-HOCLYGCPSA-N 2 1 318.469 1.436 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261995336 222267669 /nfs/dbraw/zinc/26/76/69/222267669.db2.gz SGDKKXIYDXSCRO-HUUCEWRRSA-N 2 1 317.437 1.062 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@@](C)(O)c1cccs1 ZINC000261786366 222257721 /nfs/dbraw/zinc/25/77/21/222257721.db2.gz QMDHOKFNHKTGJT-SWLSCSKDSA-N 2 1 310.467 1.215 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261944842 222261936 /nfs/dbraw/zinc/26/19/36/222261936.db2.gz FMDGRJZXKDUEKR-SOUVJXGZSA-N 2 1 306.458 1.292 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262305965 222275479 /nfs/dbraw/zinc/27/54/79/222275479.db2.gz AMKLDPQTSNJFCM-JKSUJKDBSA-N 3 1 307.486 1.074 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCCC2)O1 ZINC000262447513 222280975 /nfs/dbraw/zinc/28/09/75/222280975.db2.gz VLQOIGYSCYVALN-ZIAGYGMSSA-N 2 1 310.442 1.061 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262436333 222281262 /nfs/dbraw/zinc/28/12/62/222281262.db2.gz TWNQRUFYILNSBJ-CAOSSQGBSA-N 2 1 322.497 1.839 20 30 DDEDMP COc1ccc(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000262485207 222282899 /nfs/dbraw/zinc/28/28/99/222282899.db2.gz UDFSAANTYQZCIR-LBPRGKRZSA-N 2 1 315.377 1.642 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCOc2ccccc21 ZINC000262472503 222283270 /nfs/dbraw/zinc/28/32/70/222283270.db2.gz PDDNSJNIKPTSMC-OAHLLOKOSA-N 2 1 300.406 1.676 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CCOc2ccccc21 ZINC000262472503 222283273 /nfs/dbraw/zinc/28/32/73/222283273.db2.gz PDDNSJNIKPTSMC-OAHLLOKOSA-N 2 1 300.406 1.676 20 30 DDEDMP COCC[N@@H+](C)CCOc1cccc(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262672993 222288588 /nfs/dbraw/zinc/28/85/88/222288588.db2.gz RWQZKJLYERCHCB-AWEZNQCLSA-N 2 1 320.437 1.081 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCOC2(CCC2)C1 ZINC000263025814 222301670 /nfs/dbraw/zinc/30/16/70/222301670.db2.gz APSYBEURFBXWRX-HUUCEWRRSA-N 2 1 308.470 1.724 20 30 DDEDMP CN(C)C(=[NH+]CCCN1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000264078857 222313635 /nfs/dbraw/zinc/31/36/35/222313635.db2.gz GSBGSVPRDYUVSK-UHFFFAOYSA-N 2 1 318.469 1.073 20 30 DDEDMP CCc1nc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cs1 ZINC000264098902 222317155 /nfs/dbraw/zinc/31/71/55/222317155.db2.gz NKNRLZFAYRLUOD-CYBMUJFWSA-N 2 1 309.483 1.637 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000267408577 222384102 /nfs/dbraw/zinc/38/41/02/222384102.db2.gz HSHFBWMCWVCPOP-GDBMZVCRSA-N 2 1 304.438 1.590 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000424054942 228223405 /nfs/dbraw/zinc/22/34/05/228223405.db2.gz CJALIVGRMMJQOZ-KRWDZBQOSA-N 2 1 314.433 1.742 20 30 DDEDMP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424181358 228242081 /nfs/dbraw/zinc/24/20/81/228242081.db2.gz QVTZBTDCEBHKRH-CQSZACIVSA-N 2 1 303.410 1.222 20 30 DDEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451569786 420603275 /nfs/dbraw/zinc/60/32/75/420603275.db2.gz OPASCGMYWWJJDL-TVFCKZIOSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451569786 420603278 /nfs/dbraw/zinc/60/32/78/420603278.db2.gz OPASCGMYWWJJDL-TVFCKZIOSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451569786 420603282 /nfs/dbraw/zinc/60/32/82/420603282.db2.gz OPASCGMYWWJJDL-TVFCKZIOSA-N 2 1 308.466 1.703 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000491209965 421194806 /nfs/dbraw/zinc/19/48/06/421194806.db2.gz OEFQZFSORQTPRX-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000491209965 421194809 /nfs/dbraw/zinc/19/48/09/421194809.db2.gz OEFQZFSORQTPRX-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000491461323 275380188 /nfs/dbraw/zinc/38/01/88/275380188.db2.gz CTTXUZBPWKSSIX-IRXDYDNUSA-N 2 1 320.481 1.505 20 30 DDEDMP C[NH+]1CCC2(CCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330283137 277037082 /nfs/dbraw/zinc/03/70/82/277037082.db2.gz VYWOJQZPCHSNDK-AWEZNQCLSA-N 2 1 317.437 1.672 20 30 DDEDMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424159769 278063031 /nfs/dbraw/zinc/06/30/31/278063031.db2.gz AJWUVZNRBYPAJZ-HUUCEWRRSA-N 2 1 316.405 1.189 20 30 DDEDMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CCOCC1 ZINC000373223784 282044321 /nfs/dbraw/zinc/04/43/21/282044321.db2.gz LEUWCCGRHMIYRK-TWMKSMIVSA-N 2 1 321.465 1.927 20 30 DDEDMP CN(CCC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)CC[NH+](C)C ZINC000289444650 289132262 /nfs/dbraw/zinc/13/22/62/289132262.db2.gz OPMMSJKOBYPJFI-SFHVURJKSA-N 2 1 318.465 1.407 20 30 DDEDMP C=C(CC)CNC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656251549 484046947 /nfs/dbraw/zinc/04/69/47/484046947.db2.gz QKZOGOOFSLRCST-INIZCTEOSA-N 2 1 308.470 1.763 20 30 DDEDMP C=CC[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000656478119 484158027 /nfs/dbraw/zinc/15/80/27/484158027.db2.gz NSFWIUATLQNMKZ-HUUCEWRRSA-N 2 1 307.438 1.354 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341095115 526595743 /nfs/dbraw/zinc/59/57/43/526595743.db2.gz UFTOXHSXCPTZKG-ZBFHGGJFSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000491637643 526812334 /nfs/dbraw/zinc/81/23/34/526812334.db2.gz WIADQVDTPHEDFZ-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000491637643 526812340 /nfs/dbraw/zinc/81/23/40/526812340.db2.gz WIADQVDTPHEDFZ-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000491637643 526812342 /nfs/dbraw/zinc/81/23/42/526812342.db2.gz WIADQVDTPHEDFZ-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000491816178 526812803 /nfs/dbraw/zinc/81/28/03/526812803.db2.gz RKTBVLYUQIVUON-UHFFFAOYSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000491692834 526814793 /nfs/dbraw/zinc/81/47/93/526814793.db2.gz BVGUGWPUZOTOKI-UHFFFAOYSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000491803952 526828973 /nfs/dbraw/zinc/82/89/73/526828973.db2.gz JWVPQCMZOUQKHF-CQSZACIVSA-N 2 1 323.462 1.664 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000491803952 526828977 /nfs/dbraw/zinc/82/89/77/526828977.db2.gz JWVPQCMZOUQKHF-CQSZACIVSA-N 2 1 323.462 1.664 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000491704120 526982969 /nfs/dbraw/zinc/98/29/69/526982969.db2.gz YALAVAQMRXFPFF-HNNXBMFYSA-N 2 1 319.474 1.689 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000491704120 526982973 /nfs/dbraw/zinc/98/29/73/526982973.db2.gz YALAVAQMRXFPFF-HNNXBMFYSA-N 2 1 319.474 1.689 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491352176 526986690 /nfs/dbraw/zinc/98/66/90/526986690.db2.gz YAVTYBAIDCTPEM-SJLPKXTDSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000491352176 526986693 /nfs/dbraw/zinc/98/66/93/526986693.db2.gz YAVTYBAIDCTPEM-SJLPKXTDSA-N 2 1 313.445 1.769 20 30 DDEDMP C#C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)C ZINC000491296915 527269701 /nfs/dbraw/zinc/26/97/01/527269701.db2.gz NXFAGMANRYVVJZ-DLBZAZTESA-N 2 1 322.497 1.702 20 30 DDEDMP CCC(CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424142623 528821445 /nfs/dbraw/zinc/82/14/45/528821445.db2.gz YNHZIHQIBUZTHN-JKSUJKDBSA-N 2 1 324.469 1.261 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975286 695771622 /nfs/dbraw/zinc/77/16/22/695771622.db2.gz SWNKYDOABJQERJ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975286 695771624 /nfs/dbraw/zinc/77/16/24/695771624.db2.gz SWNKYDOABJQERJ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975286 695771625 /nfs/dbraw/zinc/77/16/25/695771625.db2.gz SWNKYDOABJQERJ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975286 695771627 /nfs/dbraw/zinc/77/16/27/695771627.db2.gz SWNKYDOABJQERJ-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000977217277 696076062 /nfs/dbraw/zinc/07/60/62/696076062.db2.gz RTBUETNXSOKLAS-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978620896 696425486 /nfs/dbraw/zinc/42/54/86/696425486.db2.gz ZJDOANYDOFOTTF-TVFCKZIOSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978620896 696425488 /nfs/dbraw/zinc/42/54/88/696425488.db2.gz ZJDOANYDOFOTTF-TVFCKZIOSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978620896 696425490 /nfs/dbraw/zinc/42/54/90/696425490.db2.gz ZJDOANYDOFOTTF-TVFCKZIOSA-N 2 1 317.477 1.426 20 30 DDEDMP CCc1nc(CNC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)=[NH+]C)cs1 ZINC000152618041 696902114 /nfs/dbraw/zinc/90/21/14/696902114.db2.gz DEFBLDDCNXNMCG-VXGBXAGGSA-N 2 1 321.494 1.996 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000981778376 696912120 /nfs/dbraw/zinc/91/21/20/696912120.db2.gz JOWMECWMDNQOPH-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778376 696912123 /nfs/dbraw/zinc/91/21/23/696912123.db2.gz JOWMECWMDNQOPH-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC000981778376 696912124 /nfs/dbraw/zinc/91/21/24/696912124.db2.gz JOWMECWMDNQOPH-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981964444 696988190 /nfs/dbraw/zinc/98/81/90/696988190.db2.gz IRFBYPYIJQOASX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1 ZINC000981964444 696988191 /nfs/dbraw/zinc/98/81/91/696988191.db2.gz IRFBYPYIJQOASX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000981964444 696988194 /nfs/dbraw/zinc/98/81/94/696988194.db2.gz IRFBYPYIJQOASX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981153395 697020057 /nfs/dbraw/zinc/02/00/57/697020057.db2.gz YUJAZKVYSNQBCP-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153395 697020060 /nfs/dbraw/zinc/02/00/60/697020060.db2.gz YUJAZKVYSNQBCP-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981153395 697020063 /nfs/dbraw/zinc/02/00/63/697020063.db2.gz YUJAZKVYSNQBCP-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCCC2)CC1 ZINC000981361390 697075555 /nfs/dbraw/zinc/07/55/55/697075555.db2.gz JQNYYGHESGWPQT-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CCCC2)CC1 ZINC000981361390 697075557 /nfs/dbraw/zinc/07/55/57/697075557.db2.gz JQNYYGHESGWPQT-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCC2)CC1 ZINC000981361390 697075559 /nfs/dbraw/zinc/07/55/59/697075559.db2.gz JQNYYGHESGWPQT-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000981361390 697075561 /nfs/dbraw/zinc/07/55/61/697075561.db2.gz JQNYYGHESGWPQT-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982296074 697086040 /nfs/dbraw/zinc/08/60/40/697086040.db2.gz JHYCODRBFZXLSG-HDICACEKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000985735799 697565029 /nfs/dbraw/zinc/56/50/29/697565029.db2.gz UYDLQDMXOIRYDY-UHFFFAOYSA-N 2 1 305.466 1.663 20 30 DDEDMP CCc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267471466 698520903 /nfs/dbraw/zinc/52/09/03/698520903.db2.gz XVAQITKVUOQPNG-UHFFFAOYSA-N 2 1 318.465 1.418 20 30 DDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000303972732 698611579 /nfs/dbraw/zinc/61/15/79/698611579.db2.gz GCXSKYMCDPQIQE-CYBMUJFWSA-N 2 1 310.467 1.306 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304264765 698616867 /nfs/dbraw/zinc/61/68/67/698616867.db2.gz CSULEYIBZXXGIA-HNNXBMFYSA-N 2 1 309.502 1.640 20 30 DDEDMP C=CC[N@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989443183 698623335 /nfs/dbraw/zinc/62/33/35/698623335.db2.gz ZACVOMMEPSFNKV-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO[C@H]1C(C)C ZINC000304751976 698624368 /nfs/dbraw/zinc/62/43/68/698624368.db2.gz JTWFVESTSALHLV-OAGGEKHMSA-N 2 1 310.486 1.826 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000305025360 698627435 /nfs/dbraw/zinc/62/74/35/698627435.db2.gz PFRSGNKVKRGZKX-HZPDHXFCSA-N 3 1 309.502 1.353 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305025360 698627438 /nfs/dbraw/zinc/62/74/38/698627438.db2.gz PFRSGNKVKRGZKX-HZPDHXFCSA-N 3 1 309.502 1.353 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000305025360 698627441 /nfs/dbraw/zinc/62/74/41/698627441.db2.gz PFRSGNKVKRGZKX-HZPDHXFCSA-N 3 1 309.502 1.353 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000328035861 698745886 /nfs/dbraw/zinc/74/58/86/698745886.db2.gz WGFBZFOCFSHWQH-HNNXBMFYSA-N 2 1 309.454 1.931 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000328035861 698745888 /nfs/dbraw/zinc/74/58/88/698745888.db2.gz WGFBZFOCFSHWQH-HNNXBMFYSA-N 2 1 309.454 1.931 20 30 DDEDMP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000794620906 699819501 /nfs/dbraw/zinc/81/95/01/699819501.db2.gz MMOGYCSJJGQPGS-UHFFFAOYSA-N 2 1 300.406 1.200 20 30 DDEDMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000794620906 699819504 /nfs/dbraw/zinc/81/95/04/699819504.db2.gz MMOGYCSJJGQPGS-UHFFFAOYSA-N 2 1 300.406 1.200 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](O)(CC#N)C3)cc2)CC1 ZINC000843425667 702879172 /nfs/dbraw/zinc/87/91/72/702879172.db2.gz UTQBNPTWTMELIB-SFHVURJKSA-N 2 1 314.433 1.289 20 30 DDEDMP C=C[C@H](C)ONC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848244761 703531629 /nfs/dbraw/zinc/53/16/29/703531629.db2.gz DEIVZLKDQVRNCT-AWEZNQCLSA-N 2 1 309.454 1.805 20 30 DDEDMP CC[N@@H+](C)Cc1cccc(CNC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852861257 704151613 /nfs/dbraw/zinc/15/16/13/704151613.db2.gz ANOVOOLJLWYLKI-UHFFFAOYSA-N 2 1 313.445 1.758 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852883835 704160157 /nfs/dbraw/zinc/16/01/57/704160157.db2.gz PHVDICSLOHPOQO-SOLBZPMBSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000876707803 705829712 /nfs/dbraw/zinc/82/97/12/705829712.db2.gz ASHKIMUGCDQBKK-SECBINFHSA-N 2 1 314.842 1.930 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000876707803 705829714 /nfs/dbraw/zinc/82/97/14/705829714.db2.gz ASHKIMUGCDQBKK-SECBINFHSA-N 2 1 314.842 1.930 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000863035725 705853568 /nfs/dbraw/zinc/85/35/68/705853568.db2.gz YHANWDHWNKRLBG-QGZVFWFLSA-N 2 1 303.450 1.465 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877022643 705962613 /nfs/dbraw/zinc/96/26/13/705962613.db2.gz OXKGROCUXOMACG-PMPSAXMXSA-N 2 1 307.438 1.538 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000877022643 705962615 /nfs/dbraw/zinc/96/26/15/705962615.db2.gz OXKGROCUXOMACG-PMPSAXMXSA-N 2 1 307.438 1.538 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000837381652 707633062 /nfs/dbraw/zinc/63/30/62/707633062.db2.gz MMQLCMQOZCRXIR-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000884057209 708120788 /nfs/dbraw/zinc/12/07/88/708120788.db2.gz YRBKZEBWSZMYFU-BBWFWOEESA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000884057209 708120789 /nfs/dbraw/zinc/12/07/89/708120789.db2.gz YRBKZEBWSZMYFU-BBWFWOEESA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000884057209 708120790 /nfs/dbraw/zinc/12/07/90/708120790.db2.gz YRBKZEBWSZMYFU-BBWFWOEESA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000884057209 708120791 /nfs/dbraw/zinc/12/07/91/708120791.db2.gz YRBKZEBWSZMYFU-BBWFWOEESA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000884408193 708284510 /nfs/dbraw/zinc/28/45/10/708284510.db2.gz ZJCXCOYSHYVWAU-OAHLLOKOSA-N 2 1 311.389 1.231 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000884408193 708284513 /nfs/dbraw/zinc/28/45/13/708284513.db2.gz ZJCXCOYSHYVWAU-OAHLLOKOSA-N 2 1 311.389 1.231 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000890371596 709843124 /nfs/dbraw/zinc/84/31/24/709843124.db2.gz YVKSTORUPBWHSC-IRXDYDNUSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000890371596 709843125 /nfs/dbraw/zinc/84/31/25/709843125.db2.gz YVKSTORUPBWHSC-IRXDYDNUSA-N 2 1 318.465 1.211 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910779606 710073246 /nfs/dbraw/zinc/07/32/46/710073246.db2.gz XUIDMAJJOXHHNK-UHFFFAOYSA-N 2 1 313.445 1.981 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910779606 710073249 /nfs/dbraw/zinc/07/32/49/710073249.db2.gz XUIDMAJJOXHHNK-UHFFFAOYSA-N 2 1 313.445 1.981 20 30 DDEDMP N#CC1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])CC1 ZINC000903449868 711131162 /nfs/dbraw/zinc/13/11/62/711131162.db2.gz JULJCAWVHAYNRS-GPANFISMSA-N 2 1 306.454 1.636 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000913479630 713233280 /nfs/dbraw/zinc/23/32/80/713233280.db2.gz YSZVJXZMEMDIBR-INIZCTEOSA-N 2 1 303.406 1.373 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000913479631 713233393 /nfs/dbraw/zinc/23/33/93/713233393.db2.gz YSZVJXZMEMDIBR-MRXNPFEDSA-N 2 1 303.406 1.373 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000928651161 713251570 /nfs/dbraw/zinc/25/15/70/713251570.db2.gz PEEKFPKHBYFLHV-KRWDZBQOSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905094502 711934693 /nfs/dbraw/zinc/93/46/93/711934693.db2.gz GDTDQIYHSPDFSU-MSOLQXFVSA-N 2 1 304.434 1.711 20 30 DDEDMP C#CC[C@@H]1CC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](CC#C)C2)C1 ZINC000931714607 714167620 /nfs/dbraw/zinc/16/76/20/714167620.db2.gz GWZIDHSTHFDRBZ-RCCFBDPRSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CC[C@@H](CC#C)C2)C1 ZINC000931714607 714167622 /nfs/dbraw/zinc/16/76/22/714167622.db2.gz GWZIDHSTHFDRBZ-RCCFBDPRSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@H+]2CC[C@@H](CC#C)C2)C1 ZINC000931714607 714167625 /nfs/dbraw/zinc/16/76/25/714167625.db2.gz GWZIDHSTHFDRBZ-RCCFBDPRSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCN(C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000923167449 714259741 /nfs/dbraw/zinc/25/97/41/714259741.db2.gz CWXKIURYJGMIKI-MRXNPFEDSA-N 2 1 320.481 1.598 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960286597 716480366 /nfs/dbraw/zinc/48/03/66/716480366.db2.gz GEOTZQCBGPVUGI-CBZIJGRNSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960286597 716480369 /nfs/dbraw/zinc/48/03/69/716480369.db2.gz GEOTZQCBGPVUGI-CBZIJGRNSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960286597 716480371 /nfs/dbraw/zinc/48/03/71/716480371.db2.gz GEOTZQCBGPVUGI-CBZIJGRNSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279433 716893356 /nfs/dbraw/zinc/89/33/56/716893356.db2.gz DNBRMJVVTMUOGZ-DLBZAZTESA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279433 716893358 /nfs/dbraw/zinc/89/33/58/716893358.db2.gz DNBRMJVVTMUOGZ-DLBZAZTESA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843159 716986584 /nfs/dbraw/zinc/98/65/84/716986584.db2.gz XYWOVTVAQIATCI-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843159 716986587 /nfs/dbraw/zinc/98/65/87/716986587.db2.gz XYWOVTVAQIATCI-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940843159 716986589 /nfs/dbraw/zinc/98/65/89/716986589.db2.gz XYWOVTVAQIATCI-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857671 716996180 /nfs/dbraw/zinc/99/61/80/716996180.db2.gz ASKHUYIRRLXYPD-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857671 716996183 /nfs/dbraw/zinc/99/61/83/716996183.db2.gz ASKHUYIRRLXYPD-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857671 716996186 /nfs/dbraw/zinc/99/61/86/716996186.db2.gz ASKHUYIRRLXYPD-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000961593685 717020692 /nfs/dbraw/zinc/02/06/92/717020692.db2.gz CRVXRDDEKCXEKM-BTFPBAQTSA-N 2 1 311.857 1.516 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000961593685 717020695 /nfs/dbraw/zinc/02/06/95/717020695.db2.gz CRVXRDDEKCXEKM-BTFPBAQTSA-N 2 1 311.857 1.516 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961593685 717020700 /nfs/dbraw/zinc/02/07/00/717020700.db2.gz CRVXRDDEKCXEKM-BTFPBAQTSA-N 2 1 311.857 1.516 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961593685 717020707 /nfs/dbraw/zinc/02/07/07/717020707.db2.gz CRVXRDDEKCXEKM-BTFPBAQTSA-N 2 1 311.857 1.516 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033944 717082199 /nfs/dbraw/zinc/08/21/99/717082199.db2.gz YILVUZGUTMPOGJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033944 717082195 /nfs/dbraw/zinc/08/21/95/717082195.db2.gz YILVUZGUTMPOGJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033944 717082202 /nfs/dbraw/zinc/08/22/02/717082202.db2.gz YILVUZGUTMPOGJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000961945497 717257567 /nfs/dbraw/zinc/25/75/67/717257567.db2.gz NPUXTIASJUJFIZ-VVLHAWIVSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961945497 717257570 /nfs/dbraw/zinc/25/75/70/717257570.db2.gz NPUXTIASJUJFIZ-VVLHAWIVSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961945497 717257576 /nfs/dbraw/zinc/25/75/76/717257576.db2.gz NPUXTIASJUJFIZ-VVLHAWIVSA-N 2 1 303.450 1.319 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000964422560 717257512 /nfs/dbraw/zinc/25/75/12/717257512.db2.gz OOFJUTPQIMKARJ-JCYILVPMSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000964422560 717257514 /nfs/dbraw/zinc/25/75/14/717257514.db2.gz OOFJUTPQIMKARJ-JCYILVPMSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962255211 717374941 /nfs/dbraw/zinc/37/49/41/717374941.db2.gz NLFGNTUDZOZRPV-PIIMJCKOSA-N 2 1 315.461 1.178 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779609 718906649 /nfs/dbraw/zinc/90/66/49/718906649.db2.gz QJAZSLFQZPVEQS-BDXSIMOUSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779609 718906650 /nfs/dbraw/zinc/90/66/50/718906650.db2.gz QJAZSLFQZPVEQS-BDXSIMOUSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779609 718906654 /nfs/dbraw/zinc/90/66/54/718906654.db2.gz QJAZSLFQZPVEQS-BDXSIMOUSA-N 2 1 319.493 1.931 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC=C)[C@H](C)C2)CC1 ZINC000948070594 719350042 /nfs/dbraw/zinc/35/00/42/719350042.db2.gz RFMMPFHVIFDFRM-NVXWUHKLSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC=C)CC1 ZINC000948449876 719505586 /nfs/dbraw/zinc/50/55/86/719505586.db2.gz XYXHQHOBEYDRPN-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC=C)CC1 ZINC000948449876 719505587 /nfs/dbraw/zinc/50/55/87/719505587.db2.gz XYXHQHOBEYDRPN-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC=C)CC1 ZINC000948449876 719505588 /nfs/dbraw/zinc/50/55/88/719505588.db2.gz XYXHQHOBEYDRPN-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC=C)CC1 ZINC000948449876 719505589 /nfs/dbraw/zinc/50/55/89/719505589.db2.gz XYXHQHOBEYDRPN-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC)CC[C@H]2C)CC1 ZINC000968682369 719733703 /nfs/dbraw/zinc/73/37/03/719733703.db2.gz QEXLJOPXTQOLRB-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968858492 719827775 /nfs/dbraw/zinc/82/77/75/719827775.db2.gz GSBVDPAYARMNDK-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000968915105 719865226 /nfs/dbraw/zinc/86/52/26/719865226.db2.gz CIELZKWCNNQVBM-OLZOCXBDSA-N 2 1 308.813 1.704 20 30 DDEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998031 719917480 /nfs/dbraw/zinc/91/74/80/719917480.db2.gz JHMAYASIYSVUGD-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014083 719924036 /nfs/dbraw/zinc/92/40/36/719924036.db2.gz PSHZLJIQKAWUML-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000969838187 720528230 /nfs/dbraw/zinc/52/82/30/720528230.db2.gz WLXXBSRFCPHDKN-ZFWWWQNUSA-N 2 1 300.406 1.220 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971538573 721347828 /nfs/dbraw/zinc/34/78/28/721347828.db2.gz FBTRILVESAXFME-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971538573 721347831 /nfs/dbraw/zinc/34/78/31/721347831.db2.gz FBTRILVESAXFME-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971538573 721347836 /nfs/dbraw/zinc/34/78/36/721347836.db2.gz FBTRILVESAXFME-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692646 738556426 /nfs/dbraw/zinc/55/64/26/738556426.db2.gz NHTMUGAYABSHNH-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C1 ZINC001083192642 732560288 /nfs/dbraw/zinc/56/02/88/732560288.db2.gz KCYKKXSKVASQTR-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173008 733081805 /nfs/dbraw/zinc/08/18/05/733081805.db2.gz KXIJRWGXAWEQGZ-KRWDZBQOSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173008 733081809 /nfs/dbraw/zinc/08/18/09/733081809.db2.gz KXIJRWGXAWEQGZ-KRWDZBQOSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cnc2C)C1 ZINC001039250500 733372447 /nfs/dbraw/zinc/37/24/47/733372447.db2.gz OIHCHLOUONAEOX-DOTOQJQBSA-N 2 1 314.433 1.597 20 30 DDEDMP C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039373159 733636668 /nfs/dbraw/zinc/63/66/68/733636668.db2.gz HGYOJWURSPIJAZ-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039373159 733636671 /nfs/dbraw/zinc/63/66/71/733636671.db2.gz HGYOJWURSPIJAZ-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039373159 733636673 /nfs/dbraw/zinc/63/66/73/733636673.db2.gz HGYOJWURSPIJAZ-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373159 733636677 /nfs/dbraw/zinc/63/66/77/733636677.db2.gz HGYOJWURSPIJAZ-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039373159 733636681 /nfs/dbraw/zinc/63/66/81/733636681.db2.gz HGYOJWURSPIJAZ-IKGGRYGDSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027924983 738817725 /nfs/dbraw/zinc/81/77/25/738817725.db2.gz OUAFYSSCINLYBF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027924983 738817730 /nfs/dbraw/zinc/81/77/30/738817730.db2.gz OUAFYSSCINLYBF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027924983 738817733 /nfs/dbraw/zinc/81/77/33/738817733.db2.gz OUAFYSSCINLYBF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409915 735214962 /nfs/dbraw/zinc/21/49/62/735214962.db2.gz IUJVAECCNLJFHY-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409915 735214964 /nfs/dbraw/zinc/21/49/64/735214964.db2.gz IUJVAECCNLJFHY-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409915 735214965 /nfs/dbraw/zinc/21/49/65/735214965.db2.gz IUJVAECCNLJFHY-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447742 735244216 /nfs/dbraw/zinc/24/42/16/735244216.db2.gz VHJKMMQDFHALGL-JKSUJKDBSA-N 2 1 314.433 1.297 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001024479712 735860879 /nfs/dbraw/zinc/86/08/79/735860879.db2.gz NYTFQOWGBHEHLY-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001024479712 735860880 /nfs/dbraw/zinc/86/08/80/735860880.db2.gz NYTFQOWGBHEHLY-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619706 735987043 /nfs/dbraw/zinc/98/70/43/735987043.db2.gz AXMFDTMVMNTRRW-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001024619706 735987047 /nfs/dbraw/zinc/98/70/47/735987047.db2.gz AXMFDTMVMNTRRW-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024619706 735987052 /nfs/dbraw/zinc/98/70/52/735987052.db2.gz AXMFDTMVMNTRRW-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624237 735989620 /nfs/dbraw/zinc/98/96/20/735989620.db2.gz MWVWGYGOFDFBSX-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624237 735989624 /nfs/dbraw/zinc/98/96/24/735989624.db2.gz MWVWGYGOFDFBSX-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025782068 736851775 /nfs/dbraw/zinc/85/17/75/736851775.db2.gz YELPHDLCMRDFLX-NNPSNHGLSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025782068 736851776 /nfs/dbraw/zinc/85/17/76/736851776.db2.gz YELPHDLCMRDFLX-NNPSNHGLSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025782068 736851778 /nfs/dbraw/zinc/85/17/78/736851778.db2.gz YELPHDLCMRDFLX-NNPSNHGLSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026100112 737118302 /nfs/dbraw/zinc/11/83/02/737118302.db2.gz WNMPGUBPHZWORU-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026100112 737118306 /nfs/dbraw/zinc/11/83/06/737118306.db2.gz WNMPGUBPHZWORU-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026100112 737118308 /nfs/dbraw/zinc/11/83/08/737118308.db2.gz WNMPGUBPHZWORU-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353855 737126227 /nfs/dbraw/zinc/12/62/27/737126227.db2.gz PSQBHGSBKUTMGD-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139812 737140114 /nfs/dbraw/zinc/14/01/14/737140114.db2.gz UDHIYWRLTOJMDX-SMLCLMEVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075905093 741883496 /nfs/dbraw/zinc/88/34/96/741883496.db2.gz YDGDRGAYWMNSFH-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075905093 741883500 /nfs/dbraw/zinc/88/35/00/741883500.db2.gz YDGDRGAYWMNSFH-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075905093 741883505 /nfs/dbraw/zinc/88/35/05/741883505.db2.gz YDGDRGAYWMNSFH-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444683 738298188 /nfs/dbraw/zinc/29/81/88/738298188.db2.gz ULGKKESOPFWKGY-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001027444683 738298189 /nfs/dbraw/zinc/29/81/89/738298189.db2.gz ULGKKESOPFWKGY-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001027465154 738317379 /nfs/dbraw/zinc/31/73/79/738317379.db2.gz SKQISWZOCDROSM-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001027979645 738901182 /nfs/dbraw/zinc/90/11/82/738901182.db2.gz GGMOUVOXVKLBQZ-GJZGRUSLSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001027979856 738901407 /nfs/dbraw/zinc/90/14/07/738901407.db2.gz ISTUPMVUBMLTFE-HUUCEWRRSA-N 2 1 300.406 1.049 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001035362887 751447310 /nfs/dbraw/zinc/44/73/10/751447310.db2.gz WTJVTCWZYNRHFR-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035362887 751447314 /nfs/dbraw/zinc/44/73/14/751447314.db2.gz WTJVTCWZYNRHFR-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035362887 751447317 /nfs/dbraw/zinc/44/73/17/751447317.db2.gz WTJVTCWZYNRHFR-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035362887 751447319 /nfs/dbraw/zinc/44/73/19/751447319.db2.gz WTJVTCWZYNRHFR-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035389947 751460228 /nfs/dbraw/zinc/46/02/28/751460228.db2.gz SPWFKVVZMRALNE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389947 751460233 /nfs/dbraw/zinc/46/02/33/751460233.db2.gz SPWFKVVZMRALNE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389947 751460236 /nfs/dbraw/zinc/46/02/36/751460236.db2.gz SPWFKVVZMRALNE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035376244 751473403 /nfs/dbraw/zinc/47/34/03/751473403.db2.gz PIGMFUVEGQHFMB-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035376244 751473406 /nfs/dbraw/zinc/47/34/06/751473406.db2.gz PIGMFUVEGQHFMB-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035376244 751473409 /nfs/dbraw/zinc/47/34/09/751473409.db2.gz PIGMFUVEGQHFMB-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001028934608 740186723 /nfs/dbraw/zinc/18/67/23/740186723.db2.gz JAULEBGEPWUELH-CQSZACIVSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934608 740186726 /nfs/dbraw/zinc/18/67/26/740186726.db2.gz JAULEBGEPWUELH-CQSZACIVSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934608 740186729 /nfs/dbraw/zinc/18/67/29/740186729.db2.gz JAULEBGEPWUELH-CQSZACIVSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087659960 740698438 /nfs/dbraw/zinc/69/84/38/740698438.db2.gz LITLKTSLQROCPJ-DLBZAZTESA-N 2 1 310.401 1.940 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999676 740938387 /nfs/dbraw/zinc/93/83/87/740938387.db2.gz WTQCNACIJNLOPA-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999676 740938388 /nfs/dbraw/zinc/93/83/88/740938388.db2.gz WTQCNACIJNLOPA-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999676 740938392 /nfs/dbraw/zinc/93/83/92/740938392.db2.gz WTQCNACIJNLOPA-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095292 741023480 /nfs/dbraw/zinc/02/34/80/741023480.db2.gz FLZLUFSDJRANSE-IXDOHACOSA-N 2 1 305.466 1.376 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001088399870 741462523 /nfs/dbraw/zinc/46/25/23/741462523.db2.gz WSLBESXHNPNDOU-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208074 741883998 /nfs/dbraw/zinc/88/39/98/741883998.db2.gz IOMPBGQQXYGGAJ-PKOBYXMFSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nccn3C2)[C@H]1C ZINC001088678180 742070476 /nfs/dbraw/zinc/07/04/76/742070476.db2.gz JKAJVTIXBNLYHK-ILXRZTDVSA-N 2 1 300.406 1.048 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014432310 742178376 /nfs/dbraw/zinc/17/83/76/742178376.db2.gz IHFIZNJWEZYLHY-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014432310 742178379 /nfs/dbraw/zinc/17/83/79/742178379.db2.gz IHFIZNJWEZYLHY-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014432310 742178381 /nfs/dbraw/zinc/17/83/81/742178381.db2.gz IHFIZNJWEZYLHY-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001032629276 751722600 /nfs/dbraw/zinc/72/26/00/751722600.db2.gz ZTBBGUZLJRCSPV-PVAVHDDUSA-N 2 1 314.433 1.615 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001032629276 751722605 /nfs/dbraw/zinc/72/26/05/751722605.db2.gz ZTBBGUZLJRCSPV-PVAVHDDUSA-N 2 1 314.433 1.615 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114926845 751744399 /nfs/dbraw/zinc/74/43/99/751744399.db2.gz CQVVVBFEFSZENN-QLPKVWCKSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114926845 751744403 /nfs/dbraw/zinc/74/44/03/751744403.db2.gz CQVVVBFEFSZENN-QLPKVWCKSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001183354085 743821889 /nfs/dbraw/zinc/82/18/89/743821889.db2.gz OXXMRWPJVWXZAY-OLZOCXBDSA-N 2 1 317.355 1.227 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001183354085 743821893 /nfs/dbraw/zinc/82/18/93/743821893.db2.gz OXXMRWPJVWXZAY-OLZOCXBDSA-N 2 1 317.355 1.227 20 30 DDEDMP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183408986 743832773 /nfs/dbraw/zinc/83/27/73/743832773.db2.gz DYSUMYRSKGNIDU-SOLBZPMBSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577348 743916399 /nfs/dbraw/zinc/91/63/99/743916399.db2.gz PNPAEOFONMMMPG-JKSUJKDBSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC001035852588 751923785 /nfs/dbraw/zinc/92/37/85/751923785.db2.gz CYWQCMVPPSRQHS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035852588 751923788 /nfs/dbraw/zinc/92/37/88/751923788.db2.gz CYWQCMVPPSRQHS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188112908 744661825 /nfs/dbraw/zinc/66/18/25/744661825.db2.gz QNTCUINDTSZCRS-HRCADAONSA-N 2 1 309.429 1.222 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992355736 744818350 /nfs/dbraw/zinc/81/83/50/744818350.db2.gz BAKHOXHVLPZGRE-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992355736 744818353 /nfs/dbraw/zinc/81/83/53/744818353.db2.gz BAKHOXHVLPZGRE-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654465 745285676 /nfs/dbraw/zinc/28/56/76/745285676.db2.gz KAKSGAMWSNALGX-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654465 745285677 /nfs/dbraw/zinc/28/56/77/745285677.db2.gz KAKSGAMWSNALGX-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654465 745285679 /nfs/dbraw/zinc/28/56/79/745285679.db2.gz KAKSGAMWSNALGX-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082382 745420364 /nfs/dbraw/zinc/42/03/64/745420364.db2.gz XTSKWVXAQJDCBK-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082382 745420366 /nfs/dbraw/zinc/42/03/66/745420366.db2.gz XTSKWVXAQJDCBK-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082382 745420367 /nfs/dbraw/zinc/42/03/67/745420367.db2.gz XTSKWVXAQJDCBK-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352208 745621602 /nfs/dbraw/zinc/62/16/02/745621602.db2.gz IRENLWHTSMJJBM-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989560 745659741 /nfs/dbraw/zinc/65/97/41/745659741.db2.gz YQVBNNFNDYAPAX-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989560 745659745 /nfs/dbraw/zinc/65/97/45/745659745.db2.gz YQVBNNFNDYAPAX-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001192142083 745709819 /nfs/dbraw/zinc/70/98/19/745709819.db2.gz HWQRFCNMXLPPLH-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106665831 745885165 /nfs/dbraw/zinc/88/51/65/745885165.db2.gz DDIVKSNJTMFXEM-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667304 745886536 /nfs/dbraw/zinc/88/65/36/745886536.db2.gz SPYHXZQEDTWVJW-VNQPRFMTSA-N 2 1 316.449 1.624 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089390413 746775670 /nfs/dbraw/zinc/77/56/70/746775670.db2.gz DNSGEHOCXLDPNM-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089390413 746775673 /nfs/dbraw/zinc/77/56/73/746775673.db2.gz DNSGEHOCXLDPNM-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089390413 746775679 /nfs/dbraw/zinc/77/56/79/746775679.db2.gz DNSGEHOCXLDPNM-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001197485838 747173136 /nfs/dbraw/zinc/17/31/36/747173136.db2.gz YKLBAWWDBNVWLC-QGZVFWFLSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849707 747220595 /nfs/dbraw/zinc/22/05/95/747220595.db2.gz UVIAVZVXVJSJJV-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001031731775 747597491 /nfs/dbraw/zinc/59/74/91/747597491.db2.gz KSFYKFLWRXDXTF-OAHLLOKOSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001031742815 747636762 /nfs/dbraw/zinc/63/67/62/747636762.db2.gz SMNFVDOXEQHWDD-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCCC2)C1 ZINC001031742815 747636766 /nfs/dbraw/zinc/63/67/66/747636766.db2.gz SMNFVDOXEQHWDD-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089723909 747702699 /nfs/dbraw/zinc/70/26/99/747702699.db2.gz QABRIKVPEYTDPS-INIZCTEOSA-N 2 1 317.477 1.712 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cc(C#N)ccc2F)CC[N@H+]1C ZINC001127691017 748194729 /nfs/dbraw/zinc/19/47/29/748194729.db2.gz XSCJTOMHVPLMGF-IUODEOHRSA-N 2 1 318.396 1.243 20 30 DDEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001200506609 748262207 /nfs/dbraw/zinc/26/22/07/748262207.db2.gz FVRKMKZDPDAURD-KRWDZBQOSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634600 748298344 /nfs/dbraw/zinc/29/83/44/748298344.db2.gz HCBCUWTTWLTBIY-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCO1 ZINC001201247163 748443842 /nfs/dbraw/zinc/44/38/42/748443842.db2.gz ZAATUSXBBGJNOV-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004623219 748589777 /nfs/dbraw/zinc/58/97/77/748589777.db2.gz QQVPWXXGTMJYDL-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004623219 748589783 /nfs/dbraw/zinc/58/97/83/748589783.db2.gz QQVPWXXGTMJYDL-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004623219 748589787 /nfs/dbraw/zinc/58/97/87/748589787.db2.gz QQVPWXXGTMJYDL-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001202144927 748695819 /nfs/dbraw/zinc/69/58/19/748695819.db2.gz ORKWPMVPSZAWJR-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110716273 748933498 /nfs/dbraw/zinc/93/34/98/748933498.db2.gz VOGXIHHJMSRDEZ-FPCVCCKLSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033211299 748941423 /nfs/dbraw/zinc/94/14/23/748941423.db2.gz JNLLFARHCBAPFG-CABCVRRESA-N 2 1 314.433 1.379 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033211299 748941429 /nfs/dbraw/zinc/94/14/29/748941429.db2.gz JNLLFARHCBAPFG-CABCVRRESA-N 2 1 314.433 1.379 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033211299 748941436 /nfs/dbraw/zinc/94/14/36/748941436.db2.gz JNLLFARHCBAPFG-CABCVRRESA-N 2 1 314.433 1.379 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001039385390 761985050 /nfs/dbraw/zinc/98/50/50/761985050.db2.gz LQKYKKVSAAFESL-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001039385390 761985055 /nfs/dbraw/zinc/98/50/55/761985055.db2.gz LQKYKKVSAAFESL-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039385390 761985062 /nfs/dbraw/zinc/98/50/62/761985062.db2.gz LQKYKKVSAAFESL-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001039385390 761985065 /nfs/dbraw/zinc/98/50/65/761985065.db2.gz LQKYKKVSAAFESL-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001039388097 761987578 /nfs/dbraw/zinc/98/75/78/761987578.db2.gz AAMLSZYJHHNJNA-SQNIBIBYSA-N 2 1 313.445 1.173 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001039388097 761987584 /nfs/dbraw/zinc/98/75/84/761987584.db2.gz AAMLSZYJHHNJNA-SQNIBIBYSA-N 2 1 313.445 1.173 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001039388097 761987585 /nfs/dbraw/zinc/98/75/85/761987585.db2.gz AAMLSZYJHHNJNA-SQNIBIBYSA-N 2 1 313.445 1.173 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001039388097 761987590 /nfs/dbraw/zinc/98/75/90/761987590.db2.gz AAMLSZYJHHNJNA-SQNIBIBYSA-N 2 1 313.445 1.173 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039394054 761993776 /nfs/dbraw/zinc/99/37/76/761993776.db2.gz LTKWMQWRKFNFDP-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039394054 761993779 /nfs/dbraw/zinc/99/37/79/761993779.db2.gz LTKWMQWRKFNFDP-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001039394054 761993782 /nfs/dbraw/zinc/99/37/82/761993782.db2.gz LTKWMQWRKFNFDP-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001039394054 761993783 /nfs/dbraw/zinc/99/37/83/761993783.db2.gz LTKWMQWRKFNFDP-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855673 749994115 /nfs/dbraw/zinc/99/41/15/749994115.db2.gz MOZHEBHVGRPZPL-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855673 749994119 /nfs/dbraw/zinc/99/41/19/749994119.db2.gz MOZHEBHVGRPZPL-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855673 749994125 /nfs/dbraw/zinc/99/41/25/749994125.db2.gz MOZHEBHVGRPZPL-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856202 749995831 /nfs/dbraw/zinc/99/58/31/749995831.db2.gz SAKNJFVPRHHJGI-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856202 749995833 /nfs/dbraw/zinc/99/58/33/749995833.db2.gz SAKNJFVPRHHJGI-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033874570 750008720 /nfs/dbraw/zinc/00/87/20/750008720.db2.gz BFNJQVAHYZQNLX-CABCVRRESA-N 2 1 302.422 1.554 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033932916 750155033 /nfs/dbraw/zinc/15/50/33/750155033.db2.gz UMJDLNPFRYODJH-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939639 750185975 /nfs/dbraw/zinc/18/59/75/750185975.db2.gz IWDHSNHHUUSGRZ-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033939639 750185979 /nfs/dbraw/zinc/18/59/79/750185979.db2.gz IWDHSNHHUUSGRZ-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005502993 750362666 /nfs/dbraw/zinc/36/26/66/750362666.db2.gz HANPCXYSDVHCAA-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115648 750381936 /nfs/dbraw/zinc/38/19/36/750381936.db2.gz SJSHVQFKWQSIJV-SFHVURJKSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538354 750540587 /nfs/dbraw/zinc/54/05/87/750540587.db2.gz RYCZXKRUQDVCCO-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206603571 750696980 /nfs/dbraw/zinc/69/69/80/750696980.db2.gz QXUSISJEZYHHFD-UHFFFAOYSA-N 2 1 316.449 1.823 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107950117 750815697 /nfs/dbraw/zinc/81/56/97/750815697.db2.gz XTVXKLYPNCIOQW-WMZOPIPTSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107950117 750815703 /nfs/dbraw/zinc/81/57/03/750815703.db2.gz XTVXKLYPNCIOQW-WMZOPIPTSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769781 751065570 /nfs/dbraw/zinc/06/55/70/751065570.db2.gz HOKFNVGEGCLTJH-QMCVQRASSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997618811 751161236 /nfs/dbraw/zinc/16/12/36/751161236.db2.gz URVQWPHWXAVBQA-HOCLYGCPSA-N 2 1 314.433 1.610 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421097 762113079 /nfs/dbraw/zinc/11/30/79/762113079.db2.gz HIFWDXBSCUYSKU-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421097 762113082 /nfs/dbraw/zinc/11/30/82/762113082.db2.gz HIFWDXBSCUYSKU-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421097 762113087 /nfs/dbraw/zinc/11/30/87/762113087.db2.gz HIFWDXBSCUYSKU-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000715558 762124405 /nfs/dbraw/zinc/12/44/05/762124405.db2.gz SKLSKAXKJWLMGV-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000715558 762124410 /nfs/dbraw/zinc/12/44/10/762124410.db2.gz SKLSKAXKJWLMGV-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000715558 762124413 /nfs/dbraw/zinc/12/44/13/762124413.db2.gz SKLSKAXKJWLMGV-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284093 752652502 /nfs/dbraw/zinc/65/25/02/752652502.db2.gz XPVKVMZGAGVFBS-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284093 752652506 /nfs/dbraw/zinc/65/25/06/752652506.db2.gz XPVKVMZGAGVFBS-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284093 752652512 /nfs/dbraw/zinc/65/25/12/752652512.db2.gz XPVKVMZGAGVFBS-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284093 752652517 /nfs/dbraw/zinc/65/25/17/752652517.db2.gz XPVKVMZGAGVFBS-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@@H](C)CC)CC1 ZINC001000788065 762201870 /nfs/dbraw/zinc/20/18/70/762201870.db2.gz NHYRJEDRPFOOBM-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@@H](C)CC)CC1 ZINC001000788065 762201876 /nfs/dbraw/zinc/20/18/76/762201876.db2.gz NHYRJEDRPFOOBM-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H](C)CC)CC1 ZINC001000788065 762201881 /nfs/dbraw/zinc/20/18/81/762201881.db2.gz NHYRJEDRPFOOBM-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H](C)CC)CC1 ZINC001000788065 762201885 /nfs/dbraw/zinc/20/18/85/762201885.db2.gz NHYRJEDRPFOOBM-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107996729 753385017 /nfs/dbraw/zinc/38/50/17/753385017.db2.gz HEPOEIJYASOSCE-QGZVFWFLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996729 753385022 /nfs/dbraw/zinc/38/50/22/753385022.db2.gz HEPOEIJYASOSCE-QGZVFWFLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996729 753385025 /nfs/dbraw/zinc/38/50/25/753385025.db2.gz HEPOEIJYASOSCE-QGZVFWFLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001005986680 753463126 /nfs/dbraw/zinc/46/31/26/753463126.db2.gz KKVMSIPVUCPXPO-OAHLLOKOSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001108006978 753493323 /nfs/dbraw/zinc/49/33/23/753493323.db2.gz IYWZORMPLQDYBW-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108006978 753493330 /nfs/dbraw/zinc/49/33/30/753493330.db2.gz IYWZORMPLQDYBW-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006978 753493334 /nfs/dbraw/zinc/49/33/34/753493334.db2.gz IYWZORMPLQDYBW-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108006978 753493341 /nfs/dbraw/zinc/49/33/41/753493341.db2.gz IYWZORMPLQDYBW-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001108024463 753574524 /nfs/dbraw/zinc/57/45/24/753574524.db2.gz LOWCHJMSKYQBMR-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108024463 753574526 /nfs/dbraw/zinc/57/45/26/753574526.db2.gz LOWCHJMSKYQBMR-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108024463 753574530 /nfs/dbraw/zinc/57/45/30/753574530.db2.gz LOWCHJMSKYQBMR-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000877234 762291342 /nfs/dbraw/zinc/29/13/42/762291342.db2.gz ZKFMLIIWABYWHM-UHFFFAOYSA-N 2 1 316.405 1.121 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000877234 762291344 /nfs/dbraw/zinc/29/13/44/762291344.db2.gz ZKFMLIIWABYWHM-UHFFFAOYSA-N 2 1 316.405 1.121 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241554 762453846 /nfs/dbraw/zinc/45/38/46/762453846.db2.gz PDCUOAREBQTUOT-AEFFLSMTSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788289 756458468 /nfs/dbraw/zinc/45/84/68/756458468.db2.gz MOIAMKCEIROHPM-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788289 756458472 /nfs/dbraw/zinc/45/84/72/756458472.db2.gz MOIAMKCEIROHPM-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788289 756458479 /nfs/dbraw/zinc/45/84/79/756458479.db2.gz MOIAMKCEIROHPM-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733129 756506004 /nfs/dbraw/zinc/50/60/04/756506004.db2.gz MSDFLSNWWMILGX-KSZLIROESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733129 756506010 /nfs/dbraw/zinc/50/60/10/756506010.db2.gz MSDFLSNWWMILGX-KSZLIROESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001015733129 756506016 /nfs/dbraw/zinc/50/60/16/756506016.db2.gz MSDFLSNWWMILGX-KSZLIROESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040295491 762480413 /nfs/dbraw/zinc/48/04/13/762480413.db2.gz GIVMBABRSXATBC-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040295491 762480414 /nfs/dbraw/zinc/48/04/14/762480414.db2.gz GIVMBABRSXATBC-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001082384789 756764078 /nfs/dbraw/zinc/76/40/78/756764078.db2.gz LYEYQTCPYFUCDP-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384789 756764079 /nfs/dbraw/zinc/76/40/79/756764079.db2.gz LYEYQTCPYFUCDP-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384789 756764082 /nfs/dbraw/zinc/76/40/82/756764082.db2.gz LYEYQTCPYFUCDP-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097210484 756981594 /nfs/dbraw/zinc/98/15/94/756981594.db2.gz VKUQZWUDXRKXLJ-MLHJIOFPSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210484 756981600 /nfs/dbraw/zinc/98/16/00/756981600.db2.gz VKUQZWUDXRKXLJ-MLHJIOFPSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097210484 756981605 /nfs/dbraw/zinc/98/16/05/756981605.db2.gz VKUQZWUDXRKXLJ-MLHJIOFPSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396539 762524687 /nfs/dbraw/zinc/52/46/87/762524687.db2.gz VFSZIAJFICLCKB-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396539 762524693 /nfs/dbraw/zinc/52/46/93/762524693.db2.gz VFSZIAJFICLCKB-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396539 762524700 /nfs/dbraw/zinc/52/47/00/762524700.db2.gz VFSZIAJFICLCKB-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097694902 757374553 /nfs/dbraw/zinc/37/45/53/757374553.db2.gz KCABNSFOBVSWOZ-VQHPVUNQSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694902 757374567 /nfs/dbraw/zinc/37/45/67/757374567.db2.gz KCABNSFOBVSWOZ-VQHPVUNQSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694902 757374579 /nfs/dbraw/zinc/37/45/79/757374579.db2.gz KCABNSFOBVSWOZ-VQHPVUNQSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694902 757374592 /nfs/dbraw/zinc/37/45/92/757374592.db2.gz KCABNSFOBVSWOZ-VQHPVUNQSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016969756 757517911 /nfs/dbraw/zinc/51/79/11/757517911.db2.gz OJPDVJYCYGEOCL-KBPBESRZSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040492686 762558975 /nfs/dbraw/zinc/55/89/75/762558975.db2.gz DHDXVESMYAPUBP-QGZVFWFLSA-N 2 1 301.434 1.030 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609093 757706310 /nfs/dbraw/zinc/70/63/10/757706310.db2.gz VOLLDFYUXAEJHM-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609093 757706314 /nfs/dbraw/zinc/70/63/14/757706314.db2.gz VOLLDFYUXAEJHM-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609093 757706319 /nfs/dbraw/zinc/70/63/19/757706319.db2.gz VOLLDFYUXAEJHM-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757738 757731056 /nfs/dbraw/zinc/73/10/56/757731056.db2.gz NEBGFJKITANBIR-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757738 757731064 /nfs/dbraw/zinc/73/10/64/757731064.db2.gz NEBGFJKITANBIR-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947817 757995452 /nfs/dbraw/zinc/99/54/52/757995452.db2.gz UTYGRACEIIJCAB-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947817 757995459 /nfs/dbraw/zinc/99/54/59/757995459.db2.gz UTYGRACEIIJCAB-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947817 757995463 /nfs/dbraw/zinc/99/54/63/757995463.db2.gz UTYGRACEIIJCAB-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947817 757995467 /nfs/dbraw/zinc/99/54/67/757995467.db2.gz UTYGRACEIIJCAB-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCC=C)[C@H]2C1 ZINC001084961298 758104670 /nfs/dbraw/zinc/10/46/70/758104670.db2.gz ZKVHSVIGWAEHGF-SQNIBIBYSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCC=C)[C@H]2C1 ZINC001084961298 758104675 /nfs/dbraw/zinc/10/46/75/758104675.db2.gz ZKVHSVIGWAEHGF-SQNIBIBYSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC=C)[C@H]2C1 ZINC001084961298 758104680 /nfs/dbraw/zinc/10/46/80/758104680.db2.gz ZKVHSVIGWAEHGF-SQNIBIBYSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCC=C)[C@H]2C1 ZINC001084961298 758104684 /nfs/dbraw/zinc/10/46/84/758104684.db2.gz ZKVHSVIGWAEHGF-SQNIBIBYSA-N 2 1 315.461 1.583 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084971867 758113240 /nfs/dbraw/zinc/11/32/40/758113240.db2.gz FJFDECNCZOSLGO-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084971867 758113244 /nfs/dbraw/zinc/11/32/44/758113244.db2.gz FJFDECNCZOSLGO-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084971867 758113248 /nfs/dbraw/zinc/11/32/48/758113248.db2.gz FJFDECNCZOSLGO-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085033309 758166362 /nfs/dbraw/zinc/16/63/62/758166362.db2.gz ZVQREVQYILVDMB-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018093064 758542223 /nfs/dbraw/zinc/54/22/23/758542223.db2.gz IWWWSINSTSYBMD-CALCHBBNSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018093064 758542232 /nfs/dbraw/zinc/54/22/32/758542232.db2.gz IWWWSINSTSYBMD-CALCHBBNSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001085276208 759222040 /nfs/dbraw/zinc/22/20/40/759222040.db2.gz UPWOZSYZBRBWFU-HUUCEWRRSA-N 2 1 316.449 1.965 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097976013 760328518 /nfs/dbraw/zinc/32/85/18/760328518.db2.gz OLZOCIRHCFGYAB-ZACQAIPSSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001085855765 760392337 /nfs/dbraw/zinc/39/23/37/760392337.db2.gz INUIQZUDYVKMMM-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918302 760527340 /nfs/dbraw/zinc/52/73/40/760527340.db2.gz ZGDVQSWJIKOBNP-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918302 760527343 /nfs/dbraw/zinc/52/73/43/760527343.db2.gz ZGDVQSWJIKOBNP-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000203411 761572415 /nfs/dbraw/zinc/57/24/15/761572415.db2.gz WRAOSVXOBURFEX-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000262620 761607722 /nfs/dbraw/zinc/60/77/22/761607722.db2.gz ZWTCLAVUJYMULA-NVXWUHKLSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100114528 761806218 /nfs/dbraw/zinc/80/62/18/761806218.db2.gz PEGHYVDLSVHTTC-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041352769 762975102 /nfs/dbraw/zinc/97/51/02/762975102.db2.gz BFDTXRZFCRFTHT-QGZVFWFLSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050533 763064093 /nfs/dbraw/zinc/06/40/93/763064093.db2.gz FJKBISJFZZZFGC-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050533 763064098 /nfs/dbraw/zinc/06/40/98/763064098.db2.gz FJKBISJFZZZFGC-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050533 763064105 /nfs/dbraw/zinc/06/41/05/763064105.db2.gz FJKBISJFZZZFGC-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042188880 763754890 /nfs/dbraw/zinc/75/48/90/763754890.db2.gz XDFIURBUZATKED-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256716 763828108 /nfs/dbraw/zinc/82/81/08/763828108.db2.gz YWRJOQWUVJAATJ-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCF)[C@@H]3C2)CC1 ZINC001042367553 763970812 /nfs/dbraw/zinc/97/08/12/763970812.db2.gz HWQJVXRHMOHHOF-NVXWUHKLSA-N 2 1 321.440 1.224 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766393 764022452 /nfs/dbraw/zinc/02/24/52/764022452.db2.gz MTVOWPXRCDREJY-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCc2c(CNC(=O)C34CC[NH+](CC3)C4)cccc2C1 ZINC001051305556 764728373 /nfs/dbraw/zinc/72/83/73/764728373.db2.gz JFTLLNYXTIBBCF-UHFFFAOYSA-N 2 1 323.440 1.390 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131681741 768259334 /nfs/dbraw/zinc/25/93/34/768259334.db2.gz HNFVWAWEBWIGFB-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052387094 765781306 /nfs/dbraw/zinc/78/13/06/765781306.db2.gz XSIMDFWDXRLDSD-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001044791494 765815990 /nfs/dbraw/zinc/81/59/90/765815990.db2.gz HFLIYUBTVHRQCA-ZBFHGGJFSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052529273 765924541 /nfs/dbraw/zinc/92/45/41/765924541.db2.gz AVGDZVAFIZAFMR-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130416869 767520043 /nfs/dbraw/zinc/52/00/43/767520043.db2.gz BXUYAEBTFVRWSF-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132107053 768632214 /nfs/dbraw/zinc/63/22/14/768632214.db2.gz XGSZKZYEDXNUBN-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132407516 768812236 /nfs/dbraw/zinc/81/22/36/768812236.db2.gz XREKRDRVHAWNLM-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001132790288 769198747 /nfs/dbraw/zinc/19/87/47/769198747.db2.gz DVNDUBMQEOAKIG-KRWDZBQOSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@H]1C ZINC001132931723 769331940 /nfs/dbraw/zinc/33/19/40/769331940.db2.gz CMVYTKUWPABXDH-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)CC[C@@H]1C ZINC001132931720 769332568 /nfs/dbraw/zinc/33/25/68/769332568.db2.gz CMVYTKUWPABXDH-KBPBESRZSA-N 2 1 320.437 1.610 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001048531963 769501069 /nfs/dbraw/zinc/50/10/69/769501069.db2.gz MQBSYNSXSSLIOQ-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531963 769501077 /nfs/dbraw/zinc/50/10/77/769501077.db2.gz MQBSYNSXSSLIOQ-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001048531963 769501082 /nfs/dbraw/zinc/50/10/82/769501082.db2.gz MQBSYNSXSSLIOQ-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048539086 769509263 /nfs/dbraw/zinc/50/92/63/769509263.db2.gz HHYDXXUGUPHQHA-YYIAUSFCSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048539086 769509267 /nfs/dbraw/zinc/50/92/67/769509267.db2.gz HHYDXXUGUPHQHA-YYIAUSFCSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048539086 769509274 /nfs/dbraw/zinc/50/92/74/769509274.db2.gz HHYDXXUGUPHQHA-YYIAUSFCSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133122524 769514352 /nfs/dbraw/zinc/51/43/52/769514352.db2.gz SCOLMIQIBPHGEC-DLBZAZTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001133142111 769526002 /nfs/dbraw/zinc/52/60/02/769526002.db2.gz KNWDFZLXYMXHBP-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133166515 769556864 /nfs/dbraw/zinc/55/68/64/769556864.db2.gz UQXBZTSTODAGJT-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627703 769743815 /nfs/dbraw/zinc/74/38/15/769743815.db2.gz JUNNZNMLMMKRMG-DZGCQCFKSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@@H]1C ZINC001071627703 769743820 /nfs/dbraw/zinc/74/38/20/769743820.db2.gz JUNNZNMLMMKRMG-DZGCQCFKSA-N 2 1 310.401 1.859 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001048864040 770011217 /nfs/dbraw/zinc/01/12/17/770011217.db2.gz ANEADJPUEOGIKA-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048864040 770011225 /nfs/dbraw/zinc/01/12/25/770011225.db2.gz ANEADJPUEOGIKA-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001048864040 770011235 /nfs/dbraw/zinc/01/12/35/770011235.db2.gz ANEADJPUEOGIKA-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107430 770391673 /nfs/dbraw/zinc/39/16/73/770391673.db2.gz JNWUJNBKSDTKTO-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107430 770391683 /nfs/dbraw/zinc/39/16/83/770391683.db2.gz JNWUJNBKSDTKTO-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107430 770391694 /nfs/dbraw/zinc/39/16/94/770391694.db2.gz JNWUJNBKSDTKTO-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC=C)C2)CC1 ZINC001072095027 770534595 /nfs/dbraw/zinc/53/45/95/770534595.db2.gz FGWPUKDYTGZLMQ-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049448256 770849858 /nfs/dbraw/zinc/84/98/58/770849858.db2.gz RMHWADUZRCBJCL-CABCVRRESA-N 2 1 302.422 1.984 20 30 DDEDMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001134570270 771058016 /nfs/dbraw/zinc/05/80/16/771058016.db2.gz MRIVPKGOABYCPG-UHFFFAOYSA-N 2 1 324.428 1.764 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049719810 771112262 /nfs/dbraw/zinc/11/22/62/771112262.db2.gz NWUBRNXYKSHDTG-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049719810 771112265 /nfs/dbraw/zinc/11/22/65/771112265.db2.gz NWUBRNXYKSHDTG-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001049719810 771112268 /nfs/dbraw/zinc/11/22/68/771112268.db2.gz NWUBRNXYKSHDTG-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804581 771184700 /nfs/dbraw/zinc/18/47/00/771184700.db2.gz IZTKUJDPFFHFMM-OLZOCXBDSA-N 2 1 306.410 1.246 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804582 771184767 /nfs/dbraw/zinc/18/47/67/771184767.db2.gz IZTKUJDPFFHFMM-QWHCGFSZSA-N 2 1 306.410 1.246 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049842761 771200751 /nfs/dbraw/zinc/20/07/51/771200751.db2.gz YAOQRIPDEKLVDA-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049842761 771200754 /nfs/dbraw/zinc/20/07/54/771200754.db2.gz YAOQRIPDEKLVDA-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049842761 771200756 /nfs/dbraw/zinc/20/07/56/771200756.db2.gz YAOQRIPDEKLVDA-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001091318803 772670089 /nfs/dbraw/zinc/67/00/89/772670089.db2.gz PIKSWVAEYLZVDW-OFLPRAFFSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001171308511 773159776 /nfs/dbraw/zinc/15/97/76/773159776.db2.gz SXDZFOHGOQJDAI-IRXDYDNUSA-N 2 1 303.450 1.372 20 30 DDEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001171308511 773159777 /nfs/dbraw/zinc/15/97/77/773159777.db2.gz SXDZFOHGOQJDAI-IRXDYDNUSA-N 2 1 303.450 1.372 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001148292542 773434374 /nfs/dbraw/zinc/43/43/74/773434374.db2.gz KQRIIQJHCMDNQV-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292542 773434377 /nfs/dbraw/zinc/43/43/77/773434377.db2.gz KQRIIQJHCMDNQV-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001148292542 773434379 /nfs/dbraw/zinc/43/43/79/773434379.db2.gz KQRIIQJHCMDNQV-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073891116 773504632 /nfs/dbraw/zinc/50/46/32/773504632.db2.gz LQWNDXZYPNRGHO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073891116 773504635 /nfs/dbraw/zinc/50/46/35/773504635.db2.gz LQWNDXZYPNRGHO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073891116 773504637 /nfs/dbraw/zinc/50/46/37/773504637.db2.gz LQWNDXZYPNRGHO-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086909899 773711007 /nfs/dbraw/zinc/71/10/07/773711007.db2.gz HONJLTJHGAXPCY-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952387 773741214 /nfs/dbraw/zinc/74/12/14/773741214.db2.gz HOWSYJJYKGJXJB-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956283 773744455 /nfs/dbraw/zinc/74/44/55/773744455.db2.gz JKYMXQPYGAXRPS-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773793 774568668 /nfs/dbraw/zinc/56/86/68/774568668.db2.gz TWERWXNECAMFGE-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773793 774568670 /nfs/dbraw/zinc/56/86/70/774568670.db2.gz TWERWXNECAMFGE-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793563 774642547 /nfs/dbraw/zinc/64/25/47/774642547.db2.gz HFIRTLMOTITKSJ-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820505 774725254 /nfs/dbraw/zinc/72/52/54/774725254.db2.gz KDYLPKBLXRQFBU-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820505 774725257 /nfs/dbraw/zinc/72/52/57/774725257.db2.gz KDYLPKBLXRQFBU-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820505 774725259 /nfs/dbraw/zinc/72/52/59/774725259.db2.gz KDYLPKBLXRQFBU-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996415 774764610 /nfs/dbraw/zinc/76/46/10/774764610.db2.gz GIWJQGSTVMRQAA-DWRORGKVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996415 774764613 /nfs/dbraw/zinc/76/46/13/774764613.db2.gz GIWJQGSTVMRQAA-DWRORGKVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996415 774764617 /nfs/dbraw/zinc/76/46/17/774764617.db2.gz GIWJQGSTVMRQAA-DWRORGKVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036871272 775009060 /nfs/dbraw/zinc/00/90/60/775009060.db2.gz JHDPPGYFGLGNPG-HOTGVXAUSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871365 775009252 /nfs/dbraw/zinc/00/92/52/775009252.db2.gz KSGCXMXQGFEVKY-HOCLYGCPSA-N 2 1 312.417 1.317 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899137 775397844 /nfs/dbraw/zinc/39/78/44/775397844.db2.gz NHTOSJNUFQUHQL-CABCVRRESA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899137 775397850 /nfs/dbraw/zinc/39/78/50/775397850.db2.gz NHTOSJNUFQUHQL-CABCVRRESA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899137 775397854 /nfs/dbraw/zinc/39/78/54/775397854.db2.gz NHTOSJNUFQUHQL-CABCVRRESA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109533 775688857 /nfs/dbraw/zinc/68/88/57/775688857.db2.gz GYIITDUMIMHMCN-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127023 775713093 /nfs/dbraw/zinc/71/30/93/775713093.db2.gz QSKVJALXKBKYJV-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001100447073 776168716 /nfs/dbraw/zinc/16/87/16/776168716.db2.gz NQDYUYXGMQJWST-GPANFISMSA-N 2 1 309.454 1.158 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100470818 776200209 /nfs/dbraw/zinc/20/02/09/776200209.db2.gz CFXCVZUCLPXRGB-OFLPRAFFSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161441 776204472 /nfs/dbraw/zinc/20/44/72/776204472.db2.gz FKYRXWYPEJNGEX-LTIDMASMSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161441 776204476 /nfs/dbraw/zinc/20/44/76/776204476.db2.gz FKYRXWYPEJNGEX-LTIDMASMSA-N 2 1 303.450 1.462 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312771 778044972 /nfs/dbraw/zinc/04/49/72/778044972.db2.gz MRUXBKPOPJMWGZ-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430048 778134067 /nfs/dbraw/zinc/13/40/67/778134067.db2.gz BRPQYEWZTMFWSO-FGTMMUONSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601432 778232598 /nfs/dbraw/zinc/23/25/98/778232598.db2.gz CQNYVZXIYGWDJL-ZACQAIPSSA-N 2 1 307.482 1.977 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001176981034 778366494 /nfs/dbraw/zinc/36/64/94/778366494.db2.gz XWSZZGPPBJVBSM-UHFFFAOYSA-N 2 1 319.424 1.613 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103267821 778747298 /nfs/dbraw/zinc/74/72/98/778747298.db2.gz HPSGWFHVFGKCMC-KBAYOESNSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178535485 779082987 /nfs/dbraw/zinc/08/29/87/779082987.db2.gz JYJUCMKOAGPAKH-IRXDYDNUSA-N 2 1 321.465 1.139 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001112285050 779689873 /nfs/dbraw/zinc/68/98/73/779689873.db2.gz KBSYDVACOGUKLB-JZXOWHBKSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292284 780011790 /nfs/dbraw/zinc/01/17/90/780011790.db2.gz LFVDLAHSIDYEKP-VQFNDLOPSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115305670 780023990 /nfs/dbraw/zinc/02/39/90/780023990.db2.gz AWXJCJDKGOFIGB-VSZNYVQBSA-N 2 1 311.429 1.359 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115305670 780023996 /nfs/dbraw/zinc/02/39/96/780023996.db2.gz AWXJCJDKGOFIGB-VSZNYVQBSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266361609 836172537 /nfs/dbraw/zinc/17/25/37/836172537.db2.gz PBMCVBKPDDFGGO-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267086667 837317037 /nfs/dbraw/zinc/31/70/37/837317037.db2.gz BHEXFTKUNRYSLE-DLBZAZTESA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267582760 838362572 /nfs/dbraw/zinc/36/25/72/838362572.db2.gz KNFJAVOAKVTITH-IXDOHACOSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267582760 838362579 /nfs/dbraw/zinc/36/25/79/838362579.db2.gz KNFJAVOAKVTITH-IXDOHACOSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267582760 838362583 /nfs/dbraw/zinc/36/25/83/838362583.db2.gz KNFJAVOAKVTITH-IXDOHACOSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267746204 838829610 /nfs/dbraw/zinc/82/96/10/838829610.db2.gz CPRROSQIVQLYHJ-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001267926363 839205869 /nfs/dbraw/zinc/20/58/69/839205869.db2.gz NTMKDNPVKPXVMB-JYJNAYRXSA-N 2 1 309.429 1.461 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001267926363 839205882 /nfs/dbraw/zinc/20/58/82/839205882.db2.gz NTMKDNPVKPXVMB-JYJNAYRXSA-N 2 1 309.429 1.461 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001272042078 844415124 /nfs/dbraw/zinc/41/51/24/844415124.db2.gz ADKXDKQIKXSDLI-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272042078 844415128 /nfs/dbraw/zinc/41/51/28/844415128.db2.gz ADKXDKQIKXSDLI-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP N#Cc1ccccc1C[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001268612821 840575916 /nfs/dbraw/zinc/57/59/16/840575916.db2.gz JBAVZHHQEBPATG-ONEGZZNKSA-N 2 1 324.428 1.416 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001268713828 840701122 /nfs/dbraw/zinc/70/11/22/840701122.db2.gz ZTPJFOPONPWPGV-HNNXBMFYSA-N 2 1 319.424 1.613 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001269951526 842177823 /nfs/dbraw/zinc/17/78/23/842177823.db2.gz YQKPBYIFJLVHPE-KGLIPLIRSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001279137532 843097494 /nfs/dbraw/zinc/09/74/94/843097494.db2.gz WESMWWNNIQJRDC-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncs1 ZINC001270997004 843119258 /nfs/dbraw/zinc/11/92/58/843119258.db2.gz ZCBRHTRJNFGRAT-ZFWWWQNUSA-N 2 1 320.462 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cncs1 ZINC001270997004 843119263 /nfs/dbraw/zinc/11/92/63/843119263.db2.gz ZCBRHTRJNFGRAT-ZFWWWQNUSA-N 2 1 320.462 1.177 20 30 DDEDMP C#CC[N@@H+]1CCc2c(CNC(=O)Cn3ccnc3C)cccc2C1 ZINC001326674002 861532273 /nfs/dbraw/zinc/53/22/73/861532273.db2.gz GXZDLLYHTGNCLB-UHFFFAOYSA-N 2 1 322.412 1.499 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001272435013 846136096 /nfs/dbraw/zinc/13/60/96/846136096.db2.gz NEIAOCMVYLVTOS-CVEARBPZSA-N 2 1 309.454 1.036 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001326890334 861691732 /nfs/dbraw/zinc/69/17/32/861691732.db2.gz XCHQMCZBNNQWBY-OAHLLOKOSA-N 2 1 316.449 1.959 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733485 861857401 /nfs/dbraw/zinc/85/74/01/861857401.db2.gz GMBAMVHLXCZPEN-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733485 861857418 /nfs/dbraw/zinc/85/74/18/861857418.db2.gz GMBAMVHLXCZPEN-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733485 861857438 /nfs/dbraw/zinc/85/74/38/861857438.db2.gz GMBAMVHLXCZPEN-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034210761 848117511 /nfs/dbraw/zinc/11/75/11/848117511.db2.gz JKODQGDJAPDZOJ-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001034283248 848249786 /nfs/dbraw/zinc/24/97/86/848249786.db2.gz TXTCECIRTBLWLV-LSDHHAIUSA-N 2 1 300.406 1.049 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150186708 862134327 /nfs/dbraw/zinc/13/43/27/862134327.db2.gz UHDDSIYOMGUFSN-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150394823 862219086 /nfs/dbraw/zinc/21/90/86/862219086.db2.gz MLVUIKFSCYLLQC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)C[C@H]1C ZINC001274652751 852486156 /nfs/dbraw/zinc/48/61/56/852486156.db2.gz GDADCNUGNWWUBK-CABCVRRESA-N 2 1 302.422 1.345 20 30 DDEDMP C=CCCC[N@@H+]1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001274964860 852714085 /nfs/dbraw/zinc/71/40/85/852714085.db2.gz YWSJIJYDJVUUBS-GOSISDBHSA-N 2 1 322.497 1.171 20 30 DDEDMP C=CCCC[N@@H+]1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001274964862 852714253 /nfs/dbraw/zinc/71/42/53/852714253.db2.gz YWSJIJYDJVUUBS-SFHVURJKSA-N 2 1 322.497 1.171 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001275036076 852764488 /nfs/dbraw/zinc/76/44/88/852764488.db2.gz MBWAZJLRTJYCBC-ZBFHGGJFSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001275526320 853282334 /nfs/dbraw/zinc/28/23/34/853282334.db2.gz DYKPALOSKJAYHH-UONOGXRCSA-N 2 1 311.389 1.387 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155833724 862486478 /nfs/dbraw/zinc/48/64/78/862486478.db2.gz BJJPNHTVZSOCBS-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155833724 862486481 /nfs/dbraw/zinc/48/64/81/862486481.db2.gz BJJPNHTVZSOCBS-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275779522 853733304 /nfs/dbraw/zinc/73/33/04/853733304.db2.gz FQZOVQZLKCMVCP-HZPDHXFCSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001276300173 855224202 /nfs/dbraw/zinc/22/42/02/855224202.db2.gz PNHTZCBOCDUNMN-HZPDHXFCSA-N 2 1 311.445 1.660 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001095768529 855334498 /nfs/dbraw/zinc/33/44/98/855334498.db2.gz IBYWWWPJCBZZBT-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001095768529 855334500 /nfs/dbraw/zinc/33/45/00/855334500.db2.gz IBYWWWPJCBZZBT-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156063621 862690784 /nfs/dbraw/zinc/69/07/84/862690784.db2.gz AAZFKDQPAQNRIV-CQSZACIVSA-N 2 1 311.389 1.341 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156063621 862690793 /nfs/dbraw/zinc/69/07/93/862690793.db2.gz AAZFKDQPAQNRIV-CQSZACIVSA-N 2 1 311.389 1.341 20 30 DDEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151409130 862759088 /nfs/dbraw/zinc/75/90/88/862759088.db2.gz ZGIONCGSZXVJOU-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734350 857652498 /nfs/dbraw/zinc/65/24/98/857652498.db2.gz GEFOJSKRECFOQZ-HOTGVXAUSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734350 857652502 /nfs/dbraw/zinc/65/25/02/857652502.db2.gz GEFOJSKRECFOQZ-HOTGVXAUSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734350 857652506 /nfs/dbraw/zinc/65/25/06/857652506.db2.gz GEFOJSKRECFOQZ-HOTGVXAUSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001072752511 857670223 /nfs/dbraw/zinc/67/02/23/857670223.db2.gz NGHBFYPFPKUMGB-HNNXBMFYSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C2)C1 ZINC001072752511 857670226 /nfs/dbraw/zinc/67/02/26/857670226.db2.gz NGHBFYPFPKUMGB-HNNXBMFYSA-N 2 1 314.433 1.564 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC001072813135 857740575 /nfs/dbraw/zinc/74/05/75/857740575.db2.gz GDJPGFRZJIVMEO-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813135 857740581 /nfs/dbraw/zinc/74/05/81/857740581.db2.gz GDJPGFRZJIVMEO-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813135 857740585 /nfs/dbraw/zinc/74/05/85/857740585.db2.gz GDJPGFRZJIVMEO-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)C1 ZINC001073049038 858045207 /nfs/dbraw/zinc/04/52/07/858045207.db2.gz SQVSWZDFTQFUMX-AWEZNQCLSA-N 2 1 302.422 1.699 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073049038 858045216 /nfs/dbraw/zinc/04/52/16/858045216.db2.gz SQVSWZDFTQFUMX-AWEZNQCLSA-N 2 1 302.422 1.699 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073049038 858045227 /nfs/dbraw/zinc/04/52/27/858045227.db2.gz SQVSWZDFTQFUMX-AWEZNQCLSA-N 2 1 302.422 1.699 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050417 858048125 /nfs/dbraw/zinc/04/81/25/858048125.db2.gz YXPPFZNJYCOSDM-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050417 858048129 /nfs/dbraw/zinc/04/81/29/858048129.db2.gz YXPPFZNJYCOSDM-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050417 858048133 /nfs/dbraw/zinc/04/81/33/858048133.db2.gz YXPPFZNJYCOSDM-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156373995 862985084 /nfs/dbraw/zinc/98/50/84/862985084.db2.gz IHVBRHNYGVZZBB-KGLIPLIRSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156373995 862985090 /nfs/dbraw/zinc/98/50/90/862985090.db2.gz IHVBRHNYGVZZBB-KGLIPLIRSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156373995 862985094 /nfs/dbraw/zinc/98/50/94/862985094.db2.gz IHVBRHNYGVZZBB-KGLIPLIRSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156373995 862985098 /nfs/dbraw/zinc/98/50/98/862985098.db2.gz IHVBRHNYGVZZBB-KGLIPLIRSA-N 2 1 301.862 1.907 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125740 858121386 /nfs/dbraw/zinc/12/13/86/858121386.db2.gz ICMGTBSTRULRRQ-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCOc1ccc(CN2C[C@@H]3C[N@@H+](CC)CCO[C@@H]3C2)cc1 ZINC001138557513 860128982 /nfs/dbraw/zinc/12/89/82/860128982.db2.gz DAAGFHDKUFJQIJ-PKOBYXMFSA-N 2 1 314.429 1.851 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001152136422 863182001 /nfs/dbraw/zinc/18/20/01/863182001.db2.gz CTIYTZSYLMRUDB-BETUJISGSA-N 2 1 320.462 1.698 20 30 DDEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001328904345 863324470 /nfs/dbraw/zinc/32/44/70/863324470.db2.gz LEKWGCXKJVDRJI-AQFXKWCLSA-N 2 1 305.466 1.616 20 30 DDEDMP N#Cc1ccc(CCNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)cc1 ZINC001156838090 863386531 /nfs/dbraw/zinc/38/65/31/863386531.db2.gz VMNFKSXLGKKCFF-UHFFFAOYSA-N 2 1 322.416 1.930 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153433496 863886204 /nfs/dbraw/zinc/88/62/04/863886204.db2.gz UDIOLVVUJIMNIK-LSDHHAIUSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001153433496 863886211 /nfs/dbraw/zinc/88/62/11/863886211.db2.gz UDIOLVVUJIMNIK-LSDHHAIUSA-N 2 1 304.438 1.856 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330337659 864251487 /nfs/dbraw/zinc/25/14/87/864251487.db2.gz DGHODRHVEIQSLB-AFIMGQEJSA-N 2 1 323.456 1.679 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330337659 864251503 /nfs/dbraw/zinc/25/15/03/864251503.db2.gz DGHODRHVEIQSLB-AFIMGQEJSA-N 2 1 323.456 1.679 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001330337659 864251517 /nfs/dbraw/zinc/25/15/17/864251517.db2.gz DGHODRHVEIQSLB-AFIMGQEJSA-N 2 1 323.456 1.679 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036279 864374247 /nfs/dbraw/zinc/37/42/47/864374247.db2.gz BHYXUZZLIJMRBS-HZPDHXFCSA-N 2 1 309.454 1.159 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001330472061 864380662 /nfs/dbraw/zinc/38/06/62/864380662.db2.gz YDPTWUMFZISCAE-KSZLIROESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001330529974 864432249 /nfs/dbraw/zinc/43/22/49/864432249.db2.gz XUAAOTURBOLBTA-QRQLOZEOSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001158473921 864674792 /nfs/dbraw/zinc/67/47/92/864674792.db2.gz QGSWFKXSJYTWPF-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001158473921 864674801 /nfs/dbraw/zinc/67/48/01/864674801.db2.gz QGSWFKXSJYTWPF-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001158473921 864674812 /nfs/dbraw/zinc/67/48/12/864674812.db2.gz QGSWFKXSJYTWPF-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001160197653 865723259 /nfs/dbraw/zinc/72/32/59/865723259.db2.gz BSIKUXPYBPXEMW-IBGZPJMESA-N 2 1 323.440 1.232 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001160197653 865723265 /nfs/dbraw/zinc/72/32/65/865723265.db2.gz BSIKUXPYBPXEMW-IBGZPJMESA-N 2 1 323.440 1.232 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC1=CC[NH+](CC#CCOC)CC1 ZINC001161755212 866968850 /nfs/dbraw/zinc/96/88/50/866968850.db2.gz QXRXEDQDVGCEPU-UHFFFAOYSA-N 2 1 321.465 1.116 20 30 DDEDMP CCC[NH+](C)CC(=O)NCCC1=CC[N@H+](CC#CCOC)CC1 ZINC001161755212 866968866 /nfs/dbraw/zinc/96/88/66/866968866.db2.gz QXRXEDQDVGCEPU-UHFFFAOYSA-N 2 1 321.465 1.116 20 30 DDEDMP CCC[NH+](C)CC(=O)NCCC1=CC[N@@H+](CC#CCOC)CC1 ZINC001161755212 866968885 /nfs/dbraw/zinc/96/88/85/866968885.db2.gz QXRXEDQDVGCEPU-UHFFFAOYSA-N 2 1 321.465 1.116 20 30 DDEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001324869967 867593098 /nfs/dbraw/zinc/59/30/98/867593098.db2.gz UJSCDFVKCPRBHO-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001324936311 867642897 /nfs/dbraw/zinc/64/28/97/867642897.db2.gz LJHKZDDRWNAJPU-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001324936311 867642905 /nfs/dbraw/zinc/64/29/05/867642905.db2.gz LJHKZDDRWNAJPU-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001324936311 867642909 /nfs/dbraw/zinc/64/29/09/867642909.db2.gz LJHKZDDRWNAJPU-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001325049128 867719846 /nfs/dbraw/zinc/71/98/46/867719846.db2.gz AUXCGKJYFLEPLW-CYBMUJFWSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001325137699 867808819 /nfs/dbraw/zinc/80/88/19/867808819.db2.gz HWZQKJNRUAYHEJ-WMZOPIPTSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001325137699 867808832 /nfs/dbraw/zinc/80/88/32/867808832.db2.gz HWZQKJNRUAYHEJ-WMZOPIPTSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001325137699 867808838 /nfs/dbraw/zinc/80/88/38/867808838.db2.gz HWZQKJNRUAYHEJ-WMZOPIPTSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001325286709 867915351 /nfs/dbraw/zinc/91/53/51/867915351.db2.gz YYYHXHAYGYUCSE-JKSUJKDBSA-N 2 1 321.465 1.132 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001325286709 867915355 /nfs/dbraw/zinc/91/53/55/867915355.db2.gz YYYHXHAYGYUCSE-JKSUJKDBSA-N 2 1 321.465 1.132 20 30 DDEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001322543977 868236365 /nfs/dbraw/zinc/23/63/65/868236365.db2.gz QRFVXFDMBTYQRK-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001335493366 868337497 /nfs/dbraw/zinc/33/74/97/868337497.db2.gz PWGFRXSHZFQITC-CALCHBBNSA-N 2 1 318.465 1.400 20 30 DDEDMP CNC(=O)[C@H](CCCC[NH3+])Nc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001163445032 868454622 /nfs/dbraw/zinc/45/46/22/868454622.db2.gz LIUDGPJYOOHOEB-LBPRGKRZSA-N 2 1 300.366 1.090 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165735774 869695322 /nfs/dbraw/zinc/69/53/22/869695322.db2.gz FHHPEOKBMSGLFX-SJORKVTESA-N 2 1 317.477 1.903 20 30 DDEDMP C=CCC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751751 870223047 /nfs/dbraw/zinc/22/30/47/870223047.db2.gz VKFUAMPWJZEMRY-UHFFFAOYSA-N 2 1 303.450 1.833 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317508648 870949292 /nfs/dbraw/zinc/94/92/92/870949292.db2.gz NUZFBDOJZIVDGF-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317508648 870949309 /nfs/dbraw/zinc/94/93/09/870949309.db2.gz NUZFBDOJZIVDGF-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317508648 870949321 /nfs/dbraw/zinc/94/93/21/870949321.db2.gz NUZFBDOJZIVDGF-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001340745585 871325895 /nfs/dbraw/zinc/32/58/95/871325895.db2.gz AOEAMSKUYOCULW-HDICACEKSA-N 2 1 304.434 1.544 20 30 DDEDMP C=CCO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001340745585 871325909 /nfs/dbraw/zinc/32/59/09/871325909.db2.gz AOEAMSKUYOCULW-HDICACEKSA-N 2 1 304.434 1.544 20 30 DDEDMP C=CCO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001340745585 871325930 /nfs/dbraw/zinc/32/59/30/871325930.db2.gz AOEAMSKUYOCULW-HDICACEKSA-N 2 1 304.434 1.544 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205519147 871603330 /nfs/dbraw/zinc/60/33/30/871603330.db2.gz WZLVDXFQKBUDGW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001317038259 871909398 /nfs/dbraw/zinc/90/93/98/871909398.db2.gz HKLHFMZAFJXPHH-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317038259 871909416 /nfs/dbraw/zinc/90/94/16/871909416.db2.gz HKLHFMZAFJXPHH-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317038259 871909428 /nfs/dbraw/zinc/90/94/28/871909428.db2.gz HKLHFMZAFJXPHH-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548032 872431830 /nfs/dbraw/zinc/43/18/30/872431830.db2.gz NNLCULKPUZTPQJ-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1O ZINC001276494233 872611173 /nfs/dbraw/zinc/61/11/73/872611173.db2.gz QSMWHCNVWAMECQ-CALCHBBNSA-N 2 1 314.433 1.474 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1O ZINC001276494233 872611182 /nfs/dbraw/zinc/61/11/82/872611182.db2.gz QSMWHCNVWAMECQ-CALCHBBNSA-N 2 1 314.433 1.474 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207706223 873491270 /nfs/dbraw/zinc/49/12/70/873491270.db2.gz UUKHDDPCYPLGDI-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475202 874172897 /nfs/dbraw/zinc/17/28/97/874172897.db2.gz SJBWGYGIGJXANV-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001227082015 882817580 /nfs/dbraw/zinc/81/75/80/882817580.db2.gz CWNSCUMEIKZAQW-BRWVUGGUSA-N 2 1 323.481 1.690 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001348359228 874510557 /nfs/dbraw/zinc/51/05/57/874510557.db2.gz PAEMWFMMTJQMCJ-UXLLHSPISA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209566008 874975675 /nfs/dbraw/zinc/97/56/75/874975675.db2.gz MIIJEFWAEJLIBE-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209566008 874975663 /nfs/dbraw/zinc/97/56/63/874975663.db2.gz MIIJEFWAEJLIBE-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209566008 874975670 /nfs/dbraw/zinc/97/56/70/874975670.db2.gz MIIJEFWAEJLIBE-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001209661656 875043979 /nfs/dbraw/zinc/04/39/79/875043979.db2.gz YSNRXSFNAKKQGI-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001378808958 875675796 /nfs/dbraw/zinc/67/57/96/875675796.db2.gz XODZIHVXDNFVCR-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001379517511 877271888 /nfs/dbraw/zinc/27/18/88/877271888.db2.gz TXWDSMHMKQJAKJ-NSHDSACASA-N 2 1 318.259 1.474 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219055140 877893083 /nfs/dbraw/zinc/89/30/83/877893083.db2.gz YOTYNJSQLXKVED-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055140 877893099 /nfs/dbraw/zinc/89/30/99/877893099.db2.gz YOTYNJSQLXKVED-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055140 877893115 /nfs/dbraw/zinc/89/31/15/877893115.db2.gz YOTYNJSQLXKVED-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001357599737 880080837 /nfs/dbraw/zinc/08/08/37/880080837.db2.gz FUZNWMGLPRWADD-CQSZACIVSA-N 2 1 305.426 1.189 20 30 DDEDMP N#Cc1ccc2cc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)[nH]c2c1 ZINC001222514754 880532131 /nfs/dbraw/zinc/53/21/31/880532131.db2.gz DIXMMCFYRNMSNM-WMZOPIPTSA-N 2 1 309.417 1.565 20 30 DDEDMP C=CCCCCCCC[N@H+]1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001222520604 880535011 /nfs/dbraw/zinc/53/50/11/880535011.db2.gz HREQOJMCSFAVBR-SFHVURJKSA-N 2 1 305.466 1.925 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001382167984 883562507 /nfs/dbraw/zinc/56/25/07/883562507.db2.gz RSSDYCUVVDGOCR-OAHLLOKOSA-N 2 1 316.449 1.835 20 30 DDEDMP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001277324075 883631392 /nfs/dbraw/zinc/63/13/92/883631392.db2.gz JVRDHYSLBWMOTE-ALOPSCKCSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235322722 888552516 /nfs/dbraw/zinc/55/25/16/888552516.db2.gz YNBZNOKHRVHGMV-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235322722 888552524 /nfs/dbraw/zinc/55/25/24/888552524.db2.gz YNBZNOKHRVHGMV-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235522913 888706220 /nfs/dbraw/zinc/70/62/20/888706220.db2.gz QXXQTSCMAQUJBM-XYJFISCASA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@]12CCCO[C@H]1CCN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522913 888706229 /nfs/dbraw/zinc/70/62/29/888706229.db2.gz QXXQTSCMAQUJBM-XYJFISCASA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522913 888706235 /nfs/dbraw/zinc/70/62/35/888706235.db2.gz QXXQTSCMAQUJBM-XYJFISCASA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522913 888706256 /nfs/dbraw/zinc/70/62/56/888706256.db2.gz QXXQTSCMAQUJBM-XYJFISCASA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001252483355 895203016 /nfs/dbraw/zinc/20/30/16/895203016.db2.gz TXZVJZJTKLPAAN-QZTJIDSGSA-N 2 1 304.434 1.662 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001264375117 901059658 /nfs/dbraw/zinc/05/96/58/901059658.db2.gz USRVCXOTQBDMLL-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP CC[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001265001277 901418387 /nfs/dbraw/zinc/41/83/87/901418387.db2.gz SDLITFWIENFEEM-QGZVFWFLSA-N 2 1 316.449 1.837 20 30 DDEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265534692 902104777 /nfs/dbraw/zinc/10/47/77/902104777.db2.gz LGOMAYLTYSTGNA-OWCLPIDISA-N 2 1 311.470 1.524 20 30 DDEDMP CCCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265534692 902104783 /nfs/dbraw/zinc/10/47/83/902104783.db2.gz LGOMAYLTYSTGNA-OWCLPIDISA-N 2 1 311.470 1.524 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265930899 902615388 /nfs/dbraw/zinc/61/53/88/902615388.db2.gz NHTOHRVZVPPKIM-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC#CC)C1CC1 ZINC001266143801 903015594 /nfs/dbraw/zinc/01/55/94/903015594.db2.gz VOISBLJQYJTJIM-KRWDZBQOSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC#CC)C1CC1 ZINC001266143801 903015604 /nfs/dbraw/zinc/01/56/04/903015604.db2.gz VOISBLJQYJTJIM-KRWDZBQOSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC#CC)C1CC1 ZINC001266143801 903015616 /nfs/dbraw/zinc/01/56/16/903015616.db2.gz VOISBLJQYJTJIM-KRWDZBQOSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC#CC)C1CC1 ZINC001266143801 903015629 /nfs/dbraw/zinc/01/56/29/903015629.db2.gz VOISBLJQYJTJIM-KRWDZBQOSA-N 2 1 301.434 1.078 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001279630952 903363306 /nfs/dbraw/zinc/36/33/06/903363306.db2.gz MYQTZCQZELYYHN-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CCC1 ZINC001280485297 903728289 /nfs/dbraw/zinc/72/82/89/903728289.db2.gz GXSWKTHVRQXFDQ-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CCC1 ZINC001280485297 903728295 /nfs/dbraw/zinc/72/82/95/903728295.db2.gz GXSWKTHVRQXFDQ-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392562659 904474456 /nfs/dbraw/zinc/47/44/56/904474456.db2.gz HUQDIPJORPWLHJ-JJRVBVJISA-N 2 1 314.433 1.493 20 30 DDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC[N@@H+](C)CCC)CC2)C1 ZINC001281585924 905065967 /nfs/dbraw/zinc/06/59/67/905065967.db2.gz FLKDNMUFGBVAST-UHFFFAOYSA-N 2 1 322.497 1.123 20 30 DDEDMP C=C(C)C[NH+]1CC(N2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001281585924 905065986 /nfs/dbraw/zinc/06/59/86/905065986.db2.gz FLKDNMUFGBVAST-UHFFFAOYSA-N 2 1 322.497 1.123 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C[C@H]1C ZINC001281681904 905156900 /nfs/dbraw/zinc/15/69/00/905156900.db2.gz CCHYQCAHLAKVBC-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)C)C1 ZINC001282718295 905980922 /nfs/dbraw/zinc/98/09/22/905980922.db2.gz YLZZQONBUAUQJF-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)C)C1 ZINC001282718295 905980936 /nfs/dbraw/zinc/98/09/36/905980936.db2.gz YLZZQONBUAUQJF-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001282928088 906259228 /nfs/dbraw/zinc/25/92/28/906259228.db2.gz IWIBEKQLKNIRLD-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)CCC)CC1 ZINC001284726111 909404499 /nfs/dbraw/zinc/40/44/99/909404499.db2.gz QJZVKQMOZKDWJK-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001284870029 909603914 /nfs/dbraw/zinc/60/39/14/909603914.db2.gz LPJQAWYGTTVUIR-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001375252376 915383487 /nfs/dbraw/zinc/38/34/87/915383487.db2.gz OOCIKMYFONNUHL-AEGPPILISA-N 2 1 313.873 1.954 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccccc1C#N ZINC001376728668 919190351 /nfs/dbraw/zinc/19/03/51/919190351.db2.gz FBICQXVRHAYJFV-JJRVBVJISA-N 2 1 314.433 1.493 20 30 DDEDMP CC[C@H](C(=O)NCC[N@H+](CC)Cc1ccc(C#N)s1)[NH+](C)C ZINC001377315073 921019251 /nfs/dbraw/zinc/01/92/51/921019251.db2.gz KEFMLYGOYMPXGM-OAHLLOKOSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[C@H](C(=O)NCC[N@@H+](CC)Cc1ccc(C#N)s1)[NH+](C)C ZINC001377315073 921019258 /nfs/dbraw/zinc/01/92/58/921019258.db2.gz KEFMLYGOYMPXGM-OAHLLOKOSA-N 2 1 322.478 1.898 20 30 DDEDMP C[C@@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+](C)C1CC1 ZINC000083052351 353705089 /nfs/dbraw/zinc/70/50/89/353705089.db2.gz WBLVYVYPOLWDKE-WFASDCNBSA-N 2 1 302.422 1.897 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C)(C#N)CC1 ZINC000596692542 356954139 /nfs/dbraw/zinc/95/41/39/356954139.db2.gz JGHWOSCUGDNKBJ-HNNXBMFYSA-N 2 1 323.485 1.594 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C)(C#N)CC1 ZINC000596692542 356954142 /nfs/dbraw/zinc/95/41/42/356954142.db2.gz JGHWOSCUGDNKBJ-HNNXBMFYSA-N 2 1 323.485 1.594 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C#N ZINC000276662530 213030962 /nfs/dbraw/zinc/03/09/62/213030962.db2.gz WJTTZUWMPOIYNC-IRXDYDNUSA-N 2 1 302.422 1.364 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171811693 407773136 /nfs/dbraw/zinc/77/31/36/407773136.db2.gz SQAYFKZWRXIRRM-UHFFFAOYSA-N 2 1 323.481 1.646 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@](C)(O)c1cc(C)oc1C ZINC000262373525 407815730 /nfs/dbraw/zinc/81/57/30/407815730.db2.gz KGMUXAIPPAAYIG-YOEHRIQHSA-N 2 1 322.453 1.221 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264101788 408367708 /nfs/dbraw/zinc/36/77/08/408367708.db2.gz OGYUQRFXPVCFNB-UONOGXRCSA-N 2 1 304.438 1.372 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264101788 408367713 /nfs/dbraw/zinc/36/77/13/408367713.db2.gz OGYUQRFXPVCFNB-UONOGXRCSA-N 2 1 304.438 1.372 20 30 DDEDMP C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000265485813 408668504 /nfs/dbraw/zinc/66/85/04/408668504.db2.gz MDOFDYZDEGZYFF-IAGOWNOFSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000265485813 408668511 /nfs/dbraw/zinc/66/85/11/408668511.db2.gz MDOFDYZDEGZYFF-IAGOWNOFSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265485813 408668516 /nfs/dbraw/zinc/66/85/16/408668516.db2.gz MDOFDYZDEGZYFF-IAGOWNOFSA-N 2 1 317.433 1.572 20 30 DDEDMP C=CCOCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000292699230 409040104 /nfs/dbraw/zinc/04/01/04/409040104.db2.gz AKIURTOWIGMAEH-UHFFFAOYSA-N 2 1 317.477 1.939 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@@H]1O ZINC000342117295 409565572 /nfs/dbraw/zinc/56/55/72/409565572.db2.gz ASKMUQWZBQSYOK-FZDBZEDMSA-N 2 1 308.466 1.460 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[C@H]1O ZINC000342117295 409565579 /nfs/dbraw/zinc/56/55/79/409565579.db2.gz ASKMUQWZBQSYOK-FZDBZEDMSA-N 2 1 308.466 1.460 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCCC[C@@H]1O)[C@H]1CCCC[C@H]1O ZINC000342117295 409565584 /nfs/dbraw/zinc/56/55/84/409565584.db2.gz ASKMUQWZBQSYOK-FZDBZEDMSA-N 2 1 308.466 1.460 20 30 DDEDMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346442019 409963500 /nfs/dbraw/zinc/96/35/00/409963500.db2.gz ZELQPXDRUZPWOW-GJZGRUSLSA-N 2 1 306.454 1.601 20 30 DDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC1CC1 ZINC000190528428 222082262 /nfs/dbraw/zinc/08/22/62/222082262.db2.gz SCTRFKKSTDWDLZ-KRWDZBQOSA-N 2 1 316.449 1.605 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261988867 222267950 /nfs/dbraw/zinc/26/79/50/222267950.db2.gz QVTBYEOWRGHRCR-DOTOQJQBSA-N 2 1 308.470 1.406 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cccc(Cl)c1 ZINC000264142167 222325389 /nfs/dbraw/zinc/32/53/89/222325389.db2.gz WUUHRSMCDUQBGN-UHFFFAOYSA-N 2 1 324.856 1.509 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262444406 222280966 /nfs/dbraw/zinc/28/09/66/222280966.db2.gz VCIWVQPDZMGUTK-FAAHXZRKSA-N 2 1 306.454 1.202 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262444406 222280970 /nfs/dbraw/zinc/28/09/70/222280970.db2.gz VCIWVQPDZMGUTK-FAAHXZRKSA-N 2 1 306.454 1.202 20 30 DDEDMP [NH2+]=C(N[C@@H]1CCOc2ccccc21)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262479936 222283073 /nfs/dbraw/zinc/28/30/73/222283073.db2.gz RAFIZFTVJNZHAT-GXTWGEPZSA-N 2 1 311.389 1.626 20 30 DDEDMP CCc1nc(C[NH+]2CCC(CNC3=[NH+]CCN3C)CC2)cs1 ZINC000262627089 222287115 /nfs/dbraw/zinc/28/71/15/222287115.db2.gz DVIXRITWBLIHFT-UHFFFAOYSA-N 2 1 321.494 1.809 20 30 DDEDMP C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)N1 ZINC000262677285 222289381 /nfs/dbraw/zinc/28/93/81/222289381.db2.gz ULOARXRDKOFTRP-GDBMZVCRSA-N 2 1 302.422 1.215 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn2ccccc2n1 ZINC000264084419 222315840 /nfs/dbraw/zinc/31/58/40/222315840.db2.gz JKKVYFMDJBACCU-CQSZACIVSA-N 2 1 300.410 1.223 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1 ZINC000267467573 222386852 /nfs/dbraw/zinc/38/68/52/222386852.db2.gz WVGLAKJJLJZVQQ-CABCVRRESA-N 2 1 304.438 1.843 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000491119725 421194904 /nfs/dbraw/zinc/19/49/04/421194904.db2.gz JLHVJTQCZIDRSB-HUUCEWRRSA-N 2 1 309.454 1.977 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000491119725 421194906 /nfs/dbraw/zinc/19/49/06/421194906.db2.gz JLHVJTQCZIDRSB-HUUCEWRRSA-N 2 1 309.454 1.977 20 30 DDEDMP COC(=O)[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534211303 421685484 /nfs/dbraw/zinc/68/54/84/421685484.db2.gz PZDSKQHSGOITNT-CVEARBPZSA-N 2 1 324.384 1.995 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715823 422581883 /nfs/dbraw/zinc/58/18/83/422581883.db2.gz KMIQMMACWKODQP-CEXWTWQISA-N 2 1 316.445 1.947 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715823 422581888 /nfs/dbraw/zinc/58/18/88/422581888.db2.gz KMIQMMACWKODQP-CEXWTWQISA-N 2 1 316.445 1.947 20 30 DDEDMP C=CC[C@]1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CCC[NH2+]1 ZINC000662741801 424752953 /nfs/dbraw/zinc/75/29/53/424752953.db2.gz JGNDLIRVKIOISA-QGZVFWFLSA-N 2 1 307.438 1.008 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000491730700 275380236 /nfs/dbraw/zinc/38/02/36/275380236.db2.gz HRJDWPFDTZYVMT-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000491730700 275380238 /nfs/dbraw/zinc/38/02/38/275380238.db2.gz HRJDWPFDTZYVMT-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000491730700 275380239 /nfs/dbraw/zinc/38/02/39/275380239.db2.gz HRJDWPFDTZYVMT-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C[C@H]1CN(C(=[NH2+])NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000262465067 278390891 /nfs/dbraw/zinc/39/08/91/278390891.db2.gz NNURRVGODLZOPR-KBPBESRZSA-N 2 1 322.478 1.920 20 30 DDEDMP N#CCNC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310033302 333216376 /nfs/dbraw/zinc/21/63/76/333216376.db2.gz YZDPGZPYIFZAKO-IRXDYDNUSA-N 2 1 312.417 1.080 20 30 DDEDMP CN(C)c1cc[nH+]cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000330789050 334815434 /nfs/dbraw/zinc/81/54/34/334815434.db2.gz ATBRNVBTGOGMTI-ZDUSSCGKSA-N 2 1 306.410 1.299 20 30 DDEDMP OC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339745499 534396138 /nfs/dbraw/zinc/39/61/38/534396138.db2.gz FGUCUCBRHVYJFG-ROUUACIJSA-N 2 1 308.466 1.179 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000337196884 526477579 /nfs/dbraw/zinc/47/75/79/526477579.db2.gz XVLXWNGAWJRRCT-HUUCEWRRSA-N 2 1 302.422 1.462 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C1=O ZINC000337196884 526477584 /nfs/dbraw/zinc/47/75/84/526477584.db2.gz XVLXWNGAWJRRCT-HUUCEWRRSA-N 2 1 302.422 1.462 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000491676316 526803780 /nfs/dbraw/zinc/80/37/80/526803780.db2.gz WAOSVZDPLOOMHL-UHFFFAOYSA-N 2 1 304.394 1.595 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000491371116 526807789 /nfs/dbraw/zinc/80/77/89/526807789.db2.gz COCOMFPVOYTWMV-UHFFFAOYSA-N 2 1 322.497 1.705 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000490804614 526926050 /nfs/dbraw/zinc/92/60/50/526926050.db2.gz ZUQKPYDIARYUFP-INIZCTEOSA-N 2 1 305.466 1.426 20 30 DDEDMP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329945514 529086376 /nfs/dbraw/zinc/08/63/76/529086376.db2.gz JCHJICVGVAEBIK-KGLIPLIRSA-N 2 1 305.426 1.433 20 30 DDEDMP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000329945514 529086378 /nfs/dbraw/zinc/08/63/78/529086378.db2.gz JCHJICVGVAEBIK-KGLIPLIRSA-N 2 1 305.426 1.433 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980216844 696710403 /nfs/dbraw/zinc/71/04/03/696710403.db2.gz RQUTUUYIPOPWMS-YESZJQIVSA-N 2 1 315.461 1.322 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972338602 695220855 /nfs/dbraw/zinc/22/08/55/695220855.db2.gz HOPRPTDAWIHPHF-RHSMWYFYSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972338602 695220856 /nfs/dbraw/zinc/22/08/56/695220856.db2.gz HOPRPTDAWIHPHF-RHSMWYFYSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972338602 695220858 /nfs/dbraw/zinc/22/08/58/695220858.db2.gz HOPRPTDAWIHPHF-RHSMWYFYSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)CC2(C)C)CC1 ZINC000977656381 696246158 /nfs/dbraw/zinc/24/61/58/696246158.db2.gz PWKLXQWIBODIHL-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#CC)CC2(C)C)CC1 ZINC000977659724 696247644 /nfs/dbraw/zinc/24/76/44/696247644.db2.gz XMPDGGJBZBUJHF-QGZVFWFLSA-N 2 1 315.461 1.182 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978465991 696386818 /nfs/dbraw/zinc/38/68/18/696386818.db2.gz FOKUWPQBUNRGRR-OSYLJGHBSA-N 2 1 310.401 1.818 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC000981842324 696940146 /nfs/dbraw/zinc/94/01/46/696940146.db2.gz YUZUVXAWWGKGAJ-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC000981842324 696940148 /nfs/dbraw/zinc/94/01/48/696940148.db2.gz YUZUVXAWWGKGAJ-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC000981842324 696940152 /nfs/dbraw/zinc/94/01/52/696940152.db2.gz YUZUVXAWWGKGAJ-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981931112 696973882 /nfs/dbraw/zinc/97/38/82/696973882.db2.gz VOEGWLLINDNNAG-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283519 697083015 /nfs/dbraw/zinc/08/30/15/697083015.db2.gz VNARXRMIUUIALF-AHCXZYCDSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283519 697083016 /nfs/dbraw/zinc/08/30/16/697083016.db2.gz VNARXRMIUUIALF-AHCXZYCDSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283519 697083018 /nfs/dbraw/zinc/08/30/18/697083018.db2.gz VNARXRMIUUIALF-AHCXZYCDSA-N 2 1 303.450 1.130 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553098 697149098 /nfs/dbraw/zinc/14/90/98/697149098.db2.gz HJLMFGYUUKQUON-RWQQGDIJSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553098 697149100 /nfs/dbraw/zinc/14/91/00/697149100.db2.gz HJLMFGYUUKQUON-RWQQGDIJSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553098 697149101 /nfs/dbraw/zinc/14/91/01/697149101.db2.gz HJLMFGYUUKQUON-RWQQGDIJSA-N 2 1 319.493 1.931 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553843 697149465 /nfs/dbraw/zinc/14/94/65/697149465.db2.gz QZNBIRZBNIZBEY-RWQQGDIJSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553843 697149466 /nfs/dbraw/zinc/14/94/66/697149466.db2.gz QZNBIRZBNIZBEY-RWQQGDIJSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553843 697149467 /nfs/dbraw/zinc/14/94/67/697149467.db2.gz QZNBIRZBNIZBEY-RWQQGDIJSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC000982598119 697156273 /nfs/dbraw/zinc/15/62/73/697156273.db2.gz GGOZIBPVNIQTPW-CALCHBBNSA-N 2 1 300.406 1.146 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000985442194 697511583 /nfs/dbraw/zinc/51/15/83/697511583.db2.gz DBWFDJZQFYDUON-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442194 697511585 /nfs/dbraw/zinc/51/15/85/697511585.db2.gz DBWFDJZQFYDUON-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442194 697511587 /nfs/dbraw/zinc/51/15/87/697511587.db2.gz DBWFDJZQFYDUON-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP Cc1ccc([C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000195522713 697746160 /nfs/dbraw/zinc/74/61/60/697746160.db2.gz FRZDRMACZXAJOE-HZPDHXFCSA-N 2 1 304.438 1.681 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@](C)(O)c1ccccc1 ZINC000249428154 698391967 /nfs/dbraw/zinc/39/19/67/698391967.db2.gz GIMVRTFRVXKLKM-FUHWJXTLSA-N 2 1 318.465 1.673 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000303772886 698606236 /nfs/dbraw/zinc/60/62/36/698606236.db2.gz DUHZCLDHYSRQBI-SJORKVTESA-N 3 1 323.529 1.886 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N(C)c1ccccc1 ZINC000303874832 698608506 /nfs/dbraw/zinc/60/85/06/698608506.db2.gz DDGRXUHQBLCIHM-NVXWUHKLSA-N 2 1 317.481 1.900 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCC[C@H](C)C1 ZINC000303911515 698611175 /nfs/dbraw/zinc/61/11/75/698611175.db2.gz ZRCRITDBGOQSPS-DLBZAZTESA-N 3 1 323.529 1.887 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000303911515 698611178 /nfs/dbraw/zinc/61/11/78/698611178.db2.gz ZRCRITDBGOQSPS-DLBZAZTESA-N 3 1 323.529 1.887 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000303911515 698611180 /nfs/dbraw/zinc/61/11/80/698611180.db2.gz ZRCRITDBGOQSPS-DLBZAZTESA-N 3 1 323.529 1.887 20 30 DDEDMP CCc1cnc(CCNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)s1 ZINC000304806122 698625465 /nfs/dbraw/zinc/62/54/65/698625465.db2.gz RWJGABDPLKZKSM-LBPRGKRZSA-N 2 1 309.483 1.637 20 30 DDEDMP CC(C)CC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000304991114 698626737 /nfs/dbraw/zinc/62/67/37/698626737.db2.gz DDOVDXHOSJAVAV-UHFFFAOYSA-N 2 1 310.486 1.829 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000989708789 698735747 /nfs/dbraw/zinc/73/57/47/698735747.db2.gz ZVHHVSHVGPOMHO-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000989708789 698735752 /nfs/dbraw/zinc/73/57/52/698735752.db2.gz ZVHHVSHVGPOMHO-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989708789 698735755 /nfs/dbraw/zinc/73/57/55/698735755.db2.gz ZVHHVSHVGPOMHO-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000989708789 698735758 /nfs/dbraw/zinc/73/57/58/698735758.db2.gz ZVHHVSHVGPOMHO-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP N#Cc1cccc(C[N@H+]2CCCN(C(=O)Cn3ccnc3)CC2)c1 ZINC000989786952 698762851 /nfs/dbraw/zinc/76/28/51/698762851.db2.gz FTDZCDDNPIPGFE-UHFFFAOYSA-N 2 1 323.400 1.489 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CCCN(C(=O)Cn3ccnc3)CC2)c1 ZINC000989786952 698762852 /nfs/dbraw/zinc/76/28/52/698762852.db2.gz FTDZCDDNPIPGFE-UHFFFAOYSA-N 2 1 323.400 1.489 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767778 699154106 /nfs/dbraw/zinc/15/41/06/699154106.db2.gz YUWDJFSICSYUPV-DFGXFYAUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767778 699154107 /nfs/dbraw/zinc/15/41/07/699154107.db2.gz YUWDJFSICSYUPV-DFGXFYAUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC000990767778 699154109 /nfs/dbraw/zinc/15/41/09/699154109.db2.gz YUWDJFSICSYUPV-DFGXFYAUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991063566 699219388 /nfs/dbraw/zinc/21/93/88/699219388.db2.gz BFMXBSWFOGNUQU-RLFYNMQTSA-N 2 1 312.417 1.507 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991063566 699219390 /nfs/dbraw/zinc/21/93/90/699219390.db2.gz BFMXBSWFOGNUQU-RLFYNMQTSA-N 2 1 312.417 1.507 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000743489912 699914708 /nfs/dbraw/zinc/91/47/08/699914708.db2.gz LYHAOGNFIZWDLT-SFHVURJKSA-N 2 1 313.445 1.893 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000867972694 701865659 /nfs/dbraw/zinc/86/56/59/701865659.db2.gz IDUPLOCOEXHFRN-GOSISDBHSA-N 2 1 318.380 1.987 20 30 DDEDMP C=CCN1CCN(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000840036585 701928953 /nfs/dbraw/zinc/92/89/53/701928953.db2.gz NQLYEOOIEMYLNQ-MRXNPFEDSA-N 2 1 306.454 1.531 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(CO)c3)CC2)cc1 ZINC000858317068 704693533 /nfs/dbraw/zinc/69/35/33/704693533.db2.gz GLXQITIUBGZVEB-UHFFFAOYSA-N 2 1 308.385 1.768 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000876706684 705828672 /nfs/dbraw/zinc/82/86/72/705828672.db2.gz BWZLUULDHNHTRP-HNNXBMFYSA-N 2 1 307.825 1.801 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000884070825 708125661 /nfs/dbraw/zinc/12/56/61/708125661.db2.gz ZDWSXHFGTJGUEE-QGZVFWFLSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000884070825 708125664 /nfs/dbraw/zinc/12/56/64/708125664.db2.gz ZDWSXHFGTJGUEE-QGZVFWFLSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000884075135 708127900 /nfs/dbraw/zinc/12/79/00/708127900.db2.gz NOHYJYNFLOIDKM-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000884075135 708127903 /nfs/dbraw/zinc/12/79/03/708127903.db2.gz NOHYJYNFLOIDKM-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000884075135 708127906 /nfs/dbraw/zinc/12/79/06/708127906.db2.gz NOHYJYNFLOIDKM-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000884075135 708127908 /nfs/dbraw/zinc/12/79/08/708127908.db2.gz NOHYJYNFLOIDKM-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000884210444 708191947 /nfs/dbraw/zinc/19/19/47/708191947.db2.gz ZUGSOIMYNQZGBR-SOUVJXGZSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000884210444 708191950 /nfs/dbraw/zinc/19/19/50/708191950.db2.gz ZUGSOIMYNQZGBR-SOUVJXGZSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000884210444 708191954 /nfs/dbraw/zinc/19/19/54/708191954.db2.gz ZUGSOIMYNQZGBR-SOUVJXGZSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000884210444 708191957 /nfs/dbraw/zinc/19/19/57/708191957.db2.gz ZUGSOIMYNQZGBR-SOUVJXGZSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000884210444 708191959 /nfs/dbraw/zinc/19/19/59/708191959.db2.gz ZUGSOIMYNQZGBR-SOUVJXGZSA-N 2 1 304.438 1.008 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CC#CCOC)CC1 ZINC000886389560 708752302 /nfs/dbraw/zinc/75/23/02/708752302.db2.gz OKRWCALGKGOJBN-IYARVYRRSA-N 2 1 306.450 1.461 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900669234 709704285 /nfs/dbraw/zinc/70/42/85/709704285.db2.gz JLLSZAVJUYRFFG-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900669234 709704286 /nfs/dbraw/zinc/70/42/86/709704286.db2.gz JLLSZAVJUYRFFG-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000890364196 709837085 /nfs/dbraw/zinc/83/70/85/709837085.db2.gz XWCZAQMNFAAWJD-CVEARBPZSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000890364196 709837091 /nfs/dbraw/zinc/83/70/91/709837091.db2.gz XWCZAQMNFAAWJD-CVEARBPZSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000890364196 709837097 /nfs/dbraw/zinc/83/70/97/709837097.db2.gz XWCZAQMNFAAWJD-CVEARBPZSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000890364196 709837102 /nfs/dbraw/zinc/83/71/02/709837102.db2.gz XWCZAQMNFAAWJD-CVEARBPZSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000890370879 709843484 /nfs/dbraw/zinc/84/34/84/709843484.db2.gz IAXKPEPFPIVQNF-OWCLPIDISA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000890370879 709843490 /nfs/dbraw/zinc/84/34/90/709843490.db2.gz IAXKPEPFPIVQNF-OWCLPIDISA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000890370879 709843495 /nfs/dbraw/zinc/84/34/95/709843495.db2.gz IAXKPEPFPIVQNF-OWCLPIDISA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000890370879 709843501 /nfs/dbraw/zinc/84/35/01/709843501.db2.gz IAXKPEPFPIVQNF-OWCLPIDISA-N 2 1 306.454 1.208 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000901183712 709959098 /nfs/dbraw/zinc/95/90/98/709959098.db2.gz BZQOCPZWDOEVLZ-UHFFFAOYSA-N 2 1 311.470 1.311 20 30 DDEDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(C#N)ccn1 ZINC000902981334 710983884 /nfs/dbraw/zinc/98/38/84/710983884.db2.gz MBXQABRCZRXJEX-AWEZNQCLSA-N 2 1 301.438 1.630 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905097719 711935338 /nfs/dbraw/zinc/93/53/38/711935338.db2.gz PMKQRBHCMJONAN-QGZVFWFLSA-N 2 1 310.482 1.920 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000929769788 713686592 /nfs/dbraw/zinc/68/65/92/713686592.db2.gz AEAGZMNRWGTXKZ-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929769788 713686594 /nfs/dbraw/zinc/68/65/94/713686594.db2.gz AEAGZMNRWGTXKZ-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000923414795 714348637 /nfs/dbraw/zinc/34/86/37/714348637.db2.gz PBOAQPUAUBHNIS-LZLYRXPVSA-N 2 1 315.417 1.372 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027191 717079121 /nfs/dbraw/zinc/07/91/21/717079121.db2.gz BGSHWCCLFFTOAH-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027191 717079124 /nfs/dbraw/zinc/07/91/24/717079124.db2.gz BGSHWCCLFFTOAH-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027191 717079128 /nfs/dbraw/zinc/07/91/28/717079128.db2.gz BGSHWCCLFFTOAH-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029494 717080494 /nfs/dbraw/zinc/08/04/94/717080494.db2.gz WNHNTLJKHCUUPI-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029494 717080495 /nfs/dbraw/zinc/08/04/95/717080495.db2.gz WNHNTLJKHCUUPI-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029494 717080498 /nfs/dbraw/zinc/08/04/98/717080498.db2.gz WNHNTLJKHCUUPI-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216165 717132159 /nfs/dbraw/zinc/13/21/59/717132159.db2.gz CJWMHYQOBRMGDE-KGLIPLIRSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216165 717132160 /nfs/dbraw/zinc/13/21/60/717132160.db2.gz CJWMHYQOBRMGDE-KGLIPLIRSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216165 717132161 /nfs/dbraw/zinc/13/21/61/717132161.db2.gz CJWMHYQOBRMGDE-KGLIPLIRSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216165 717132162 /nfs/dbraw/zinc/13/21/62/717132162.db2.gz CJWMHYQOBRMGDE-KGLIPLIRSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC)CC2(C)C)CC1 ZINC000941239884 717137463 /nfs/dbraw/zinc/13/74/63/717137463.db2.gz XFQQCFICSOKNKL-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962313493 717399892 /nfs/dbraw/zinc/39/98/92/717399892.db2.gz SZLUIRMSSVWAQE-QLPKVWCKSA-N 2 1 314.433 1.774 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962313493 717399897 /nfs/dbraw/zinc/39/98/97/717399897.db2.gz SZLUIRMSSVWAQE-QLPKVWCKSA-N 2 1 314.433 1.774 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942519066 717715108 /nfs/dbraw/zinc/71/51/08/717715108.db2.gz YVZFSVUWWKAGAE-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000942519066 717715112 /nfs/dbraw/zinc/71/51/12/717715112.db2.gz YVZFSVUWWKAGAE-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904443 718704106 /nfs/dbraw/zinc/70/41/06/718704106.db2.gz OYJYFQGIKGIKOB-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000967264339 718803607 /nfs/dbraw/zinc/80/36/07/718803607.db2.gz JNVAHOQHFGIBJL-WMLDXEAASA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCF)[C@H](C)C2)CC1 ZINC000948069332 719349202 /nfs/dbraw/zinc/34/92/02/719349202.db2.gz FZXHMDGGRVSSCW-WBVHZDCISA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCOC)CC1 ZINC000948449267 719505077 /nfs/dbraw/zinc/50/50/77/719505077.db2.gz OZGZDTNZJKGHOY-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000948449267 719505081 /nfs/dbraw/zinc/50/50/81/719505081.db2.gz OZGZDTNZJKGHOY-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCOC)CC1 ZINC000948449267 719505087 /nfs/dbraw/zinc/50/50/87/719505087.db2.gz OZGZDTNZJKGHOY-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCOC)CC1 ZINC000948449267 719505091 /nfs/dbraw/zinc/50/50/91/719505091.db2.gz OZGZDTNZJKGHOY-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548604 719659258 /nfs/dbraw/zinc/65/92/58/719659258.db2.gz HPZMVXXJMBQJQX-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968795855 719790684 /nfs/dbraw/zinc/79/06/84/719790684.db2.gz AUDDYLIZBBDICD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968795855 719790686 /nfs/dbraw/zinc/79/06/86/719790686.db2.gz AUDDYLIZBBDICD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968795855 719790688 /nfs/dbraw/zinc/79/06/88/719790688.db2.gz AUDDYLIZBBDICD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968795855 719790690 /nfs/dbraw/zinc/79/06/90/719790690.db2.gz AUDDYLIZBBDICD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000949385999 720053246 /nfs/dbraw/zinc/05/32/46/720053246.db2.gz LDMOVCXVWJRCMG-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000949385999 720053252 /nfs/dbraw/zinc/05/32/52/720053252.db2.gz LDMOVCXVWJRCMG-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027602236 738453799 /nfs/dbraw/zinc/45/37/99/738453799.db2.gz OEQDTQGWRYAVNC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602236 738453801 /nfs/dbraw/zinc/45/38/01/738453801.db2.gz OEQDTQGWRYAVNC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602236 738453802 /nfs/dbraw/zinc/45/38/02/738453802.db2.gz OEQDTQGWRYAVNC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001027685513 738550054 /nfs/dbraw/zinc/55/00/54/738550054.db2.gz NQDROJOWPOUQND-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264949 733080898 /nfs/dbraw/zinc/08/08/98/733080898.db2.gz MATGKTZWNXZVAG-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH]cn2)C1 ZINC001021599827 733357759 /nfs/dbraw/zinc/35/77/59/733357759.db2.gz KJDWMTNKQASNKO-HOCLYGCPSA-N 2 1 302.422 1.841 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2cnc[nH]2)C1 ZINC001021599827 733357762 /nfs/dbraw/zinc/35/77/62/733357762.db2.gz KJDWMTNKQASNKO-HOCLYGCPSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021717024 733480861 /nfs/dbraw/zinc/48/08/61/733480861.db2.gz NQCMYIOSKAKFOM-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735931 733495925 /nfs/dbraw/zinc/49/59/25/733495925.db2.gz JPWLVOIYWDQVLM-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929073 738824008 /nfs/dbraw/zinc/82/40/08/738824008.db2.gz ATWAIBBFPUUIFK-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929073 738824012 /nfs/dbraw/zinc/82/40/12/738824012.db2.gz ATWAIBBFPUUIFK-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929073 738824016 /nfs/dbraw/zinc/82/40/16/738824016.db2.gz ATWAIBBFPUUIFK-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023457222 735247938 /nfs/dbraw/zinc/24/79/38/735247938.db2.gz KGADNHVAWANOFU-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457222 735247939 /nfs/dbraw/zinc/24/79/39/735247939.db2.gz KGADNHVAWANOFU-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457222 735247941 /nfs/dbraw/zinc/24/79/41/735247941.db2.gz KGADNHVAWANOFU-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC000972573826 735262794 /nfs/dbraw/zinc/26/27/94/735262794.db2.gz SZJWMYHAFNKQRR-KRWDZBQOSA-N 2 1 318.421 1.222 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024021667 735608339 /nfs/dbraw/zinc/60/83/39/735608339.db2.gz HUQMNZKKIYGLSF-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001024021667 735608346 /nfs/dbraw/zinc/60/83/46/735608346.db2.gz HUQMNZKKIYGLSF-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468479 735846315 /nfs/dbraw/zinc/84/63/15/735846315.db2.gz KQFMDEHUYOAPJW-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468479 735846318 /nfs/dbraw/zinc/84/63/18/735846318.db2.gz KQFMDEHUYOAPJW-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468479 735846324 /nfs/dbraw/zinc/84/63/24/735846324.db2.gz KQFMDEHUYOAPJW-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468479 735846327 /nfs/dbraw/zinc/84/63/27/735846327.db2.gz KQFMDEHUYOAPJW-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468479 735846330 /nfs/dbraw/zinc/84/63/30/735846330.db2.gz KQFMDEHUYOAPJW-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001024486716 735864518 /nfs/dbraw/zinc/86/45/18/735864518.db2.gz GUCNHIMEJYSDCZ-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239631 736386407 /nfs/dbraw/zinc/38/64/07/736386407.db2.gz HANKBRCZTAWXDY-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025782093 736851814 /nfs/dbraw/zinc/85/18/14/736851814.db2.gz ZEEHEWIAUPDFFD-ZVDSWSACSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025782093 736851816 /nfs/dbraw/zinc/85/18/16/736851816.db2.gz ZEEHEWIAUPDFFD-ZVDSWSACSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025782093 736851818 /nfs/dbraw/zinc/85/18/18/736851818.db2.gz ZEEHEWIAUPDFFD-ZVDSWSACSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025782093 736851819 /nfs/dbraw/zinc/85/18/19/736851819.db2.gz ZEEHEWIAUPDFFD-ZVDSWSACSA-N 2 1 323.868 1.660 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908631 737364539 /nfs/dbraw/zinc/36/45/39/737364539.db2.gz FIVSJWNVESCBSE-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105010749 737456835 /nfs/dbraw/zinc/45/68/35/737456835.db2.gz YBXMVNBRKYMVRY-ZACQAIPSSA-N 2 1 323.481 1.215 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(=C)C)C1 ZINC001027446795 738301736 /nfs/dbraw/zinc/30/17/36/738301736.db2.gz SCBRXCGLJJBRCA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)C)C1 ZINC001027446795 738301740 /nfs/dbraw/zinc/30/17/40/738301740.db2.gz SCBRXCGLJJBRCA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(=C)C)C1 ZINC001027446795 738301743 /nfs/dbraw/zinc/30/17/43/738301743.db2.gz SCBRXCGLJJBRCA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(=C)C)C1 ZINC001027446795 738301746 /nfs/dbraw/zinc/30/17/46/738301746.db2.gz SCBRXCGLJJBRCA-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027547115 738395209 /nfs/dbraw/zinc/39/52/09/738395209.db2.gz WHVBMYQJSWREER-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027547115 738395215 /nfs/dbraw/zinc/39/52/15/738395215.db2.gz WHVBMYQJSWREER-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103862 739038492 /nfs/dbraw/zinc/03/84/92/739038492.db2.gz XKDXIUYUHBOPGA-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103862 739038496 /nfs/dbraw/zinc/03/84/96/739038496.db2.gz XKDXIUYUHBOPGA-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035369711 751433397 /nfs/dbraw/zinc/43/33/97/751433397.db2.gz JDTSZSMEJXFZCW-IAGOWNOFSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001028334181 739370475 /nfs/dbraw/zinc/37/04/75/739370475.db2.gz WFVVAZDATCLNOJ-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646036 739845169 /nfs/dbraw/zinc/84/51/69/739845169.db2.gz QKTBUIVVXYKHQP-ZDUSSCGKSA-N 2 1 306.410 1.364 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646036 739845173 /nfs/dbraw/zinc/84/51/73/739845173.db2.gz QKTBUIVVXYKHQP-ZDUSSCGKSA-N 2 1 306.410 1.364 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028648180 739848384 /nfs/dbraw/zinc/84/83/84/739848384.db2.gz UTNLVNBXJFRREF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028648180 739848386 /nfs/dbraw/zinc/84/83/86/739848386.db2.gz UTNLVNBXJFRREF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001028648180 739848389 /nfs/dbraw/zinc/84/83/89/739848389.db2.gz UTNLVNBXJFRREF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029001533 740246123 /nfs/dbraw/zinc/24/61/23/740246123.db2.gz ZDFRTDCTKJCVNX-INIZCTEOSA-N 2 1 313.445 1.823 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)[C@H]1CC ZINC001087602162 740673103 /nfs/dbraw/zinc/67/31/03/740673103.db2.gz BMSUDVCNZKHJET-RRFJBIMHSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087602162 740673107 /nfs/dbraw/zinc/67/31/07/740673107.db2.gz BMSUDVCNZKHJET-RRFJBIMHSA-N 2 1 302.422 1.916 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671767 740702461 /nfs/dbraw/zinc/70/24/61/740702461.db2.gz OSZMSKBCBLUYMZ-KSZLIROESA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700431 740713458 /nfs/dbraw/zinc/71/34/58/740713458.db2.gz LVPXRIHVUYJFMU-ARFHVFGLSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700431 740713460 /nfs/dbraw/zinc/71/34/60/740713460.db2.gz LVPXRIHVUYJFMU-ARFHVFGLSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700431 740713461 /nfs/dbraw/zinc/71/34/61/740713461.db2.gz LVPXRIHVUYJFMU-ARFHVFGLSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700431 740713463 /nfs/dbraw/zinc/71/34/63/740713463.db2.gz LVPXRIHVUYJFMU-ARFHVFGLSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999677 740938601 /nfs/dbraw/zinc/93/86/01/740938601.db2.gz WTQCNACIJNLOPA-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999677 740938605 /nfs/dbraw/zinc/93/86/05/740938605.db2.gz WTQCNACIJNLOPA-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999677 740938608 /nfs/dbraw/zinc/93/86/08/740938608.db2.gz WTQCNACIJNLOPA-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042238 740964875 /nfs/dbraw/zinc/96/48/75/740964875.db2.gz DZSRNRIUMPGDJK-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042238 740964878 /nfs/dbraw/zinc/96/48/78/740964878.db2.gz DZSRNRIUMPGDJK-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001037980577 751623100 /nfs/dbraw/zinc/62/31/00/751623100.db2.gz YWZKRZPYNQUFLD-HOTGVXAUSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212272 741660239 /nfs/dbraw/zinc/66/02/39/741660239.db2.gz XHSRVUMTQMAVIX-VXGBXAGGSA-N 2 1 307.360 1.492 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168297163 742160317 /nfs/dbraw/zinc/16/03/17/742160317.db2.gz IMRYQGSIMCSFLU-IYBDPMFKSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001168345554 742206090 /nfs/dbraw/zinc/20/60/90/742206090.db2.gz QESBBNKJVWDRAB-QGZVFWFLSA-N 2 1 313.445 1.799 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815284 742438690 /nfs/dbraw/zinc/43/86/90/742438690.db2.gz HRPOVABXYMCCLN-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815284 742438693 /nfs/dbraw/zinc/43/86/93/742438693.db2.gz HRPOVABXYMCCLN-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815284 742438696 /nfs/dbraw/zinc/43/86/96/742438696.db2.gz HRPOVABXYMCCLN-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815284 742438698 /nfs/dbraw/zinc/43/86/98/742438698.db2.gz HRPOVABXYMCCLN-PMPSAXMXSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418790 742721796 /nfs/dbraw/zinc/72/17/96/742721796.db2.gz OXSAFYGUDWNVNN-DLBZAZTESA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040394682 743492959 /nfs/dbraw/zinc/49/29/59/743492959.db2.gz KKLLERCXRXJKKU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040394682 743492962 /nfs/dbraw/zinc/49/29/62/743492962.db2.gz KKLLERCXRXJKKU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040394682 743492965 /nfs/dbraw/zinc/49/29/65/743492965.db2.gz KKLLERCXRXJKKU-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398487 743832165 /nfs/dbraw/zinc/83/21/65/743832165.db2.gz BRTWTYPGEYVAQP-RHSMWYFYSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035795135 751881998 /nfs/dbraw/zinc/88/19/98/751881998.db2.gz QIZISNNRVSZWCN-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184712225 744085845 /nfs/dbraw/zinc/08/58/45/744085845.db2.gz KWNZJQBEYDVOII-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861193 744247889 /nfs/dbraw/zinc/24/78/89/744247889.db2.gz ULWIUDNUCJIMBM-KMFMINBZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861193 744247892 /nfs/dbraw/zinc/24/78/92/744247892.db2.gz ULWIUDNUCJIMBM-KMFMINBZSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169411 744656168 /nfs/dbraw/zinc/65/61/68/744656168.db2.gz GESBSASDXOYEOS-QFBILLFUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992169411 744656171 /nfs/dbraw/zinc/65/61/71/744656171.db2.gz GESBSASDXOYEOS-QFBILLFUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169406 744656274 /nfs/dbraw/zinc/65/62/74/744656274.db2.gz GESBSASDXOYEOS-APWZRJJASA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992169406 744656277 /nfs/dbraw/zinc/65/62/77/744656277.db2.gz GESBSASDXOYEOS-APWZRJJASA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190652840 745284711 /nfs/dbraw/zinc/28/47/11/745284711.db2.gz BHBNVSWJDYUEDU-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190652840 745284714 /nfs/dbraw/zinc/28/47/14/745284714.db2.gz BHBNVSWJDYUEDU-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190652840 745284721 /nfs/dbraw/zinc/28/47/21/745284721.db2.gz BHBNVSWJDYUEDU-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191946765 745653567 /nfs/dbraw/zinc/65/35/67/745653567.db2.gz FDDYIYOUVFRBDW-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191946765 745653572 /nfs/dbraw/zinc/65/35/72/745653572.db2.gz FDDYIYOUVFRBDW-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946765 745653574 /nfs/dbraw/zinc/65/35/74/745653574.db2.gz FDDYIYOUVFRBDW-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946765 745653577 /nfs/dbraw/zinc/65/35/77/745653577.db2.gz FDDYIYOUVFRBDW-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192354415 745764289 /nfs/dbraw/zinc/76/42/89/745764289.db2.gz LISZGLFALWBWAM-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192354415 745764292 /nfs/dbraw/zinc/76/42/92/745764292.db2.gz LISZGLFALWBWAM-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192354415 745764295 /nfs/dbraw/zinc/76/42/95/745764295.db2.gz LISZGLFALWBWAM-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192656770 745847344 /nfs/dbraw/zinc/84/73/44/745847344.db2.gz VHPFXQQZANMZIL-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192867429 745908396 /nfs/dbraw/zinc/90/83/96/745908396.db2.gz QGXHOQRTUZVOOM-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192867429 745908399 /nfs/dbraw/zinc/90/83/99/745908399.db2.gz QGXHOQRTUZVOOM-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993479548 746167306 /nfs/dbraw/zinc/16/73/06/746167306.db2.gz MXZYPHQHJWCVIP-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994074001 746442221 /nfs/dbraw/zinc/44/22/21/746442221.db2.gz BCNZGDRYZGMLEF-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705670 746502718 /nfs/dbraw/zinc/50/27/18/746502718.db2.gz NSDXBKRHAJFYGA-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705670 746502721 /nfs/dbraw/zinc/50/27/21/746502721.db2.gz NSDXBKRHAJFYGA-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919946 746997857 /nfs/dbraw/zinc/99/78/57/746997857.db2.gz OSDBGQKVFGAYKA-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196919946 746997862 /nfs/dbraw/zinc/99/78/62/746997862.db2.gz OSDBGQKVFGAYKA-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007497569 752175816 /nfs/dbraw/zinc/17/58/16/752175816.db2.gz DEZKYKARHSLPSO-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007497569 752175821 /nfs/dbraw/zinc/17/58/21/752175821.db2.gz DEZKYKARHSLPSO-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007497569 752175827 /nfs/dbraw/zinc/17/58/27/752175827.db2.gz DEZKYKARHSLPSO-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200115277 748127034 /nfs/dbraw/zinc/12/70/34/748127034.db2.gz KUTXGVXPHKVZMM-KBPBESRZSA-N 2 1 315.845 1.040 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033078027 748210093 /nfs/dbraw/zinc/21/00/93/748210093.db2.gz VPHWTNVFTGHGRS-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036204084 752257368 /nfs/dbraw/zinc/25/73/68/752257368.db2.gz DOBYGNKLVSWTPI-LSDHHAIUSA-N 2 1 302.422 1.466 20 30 DDEDMP C=CCCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658838 748318822 /nfs/dbraw/zinc/31/88/22/748318822.db2.gz WRGZITYMFKKPMI-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004618977 748594259 /nfs/dbraw/zinc/59/42/59/748594259.db2.gz ZBESDYOXNNBCRN-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618977 748594261 /nfs/dbraw/zinc/59/42/61/748594261.db2.gz ZBESDYOXNNBCRN-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618977 748594266 /nfs/dbraw/zinc/59/42/66/748594266.db2.gz ZBESDYOXNNBCRN-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033211532 748942912 /nfs/dbraw/zinc/94/29/12/748942912.db2.gz JZIHIZUBTNULHT-GJZGRUSLSA-N 2 1 302.422 1.554 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039302946 761920868 /nfs/dbraw/zinc/92/08/68/761920868.db2.gz OKWVRBSNCAGNFH-ALOPSCKCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358974 749266755 /nfs/dbraw/zinc/26/67/55/749266755.db2.gz SBUPSSSBDUPWGI-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358974 749266758 /nfs/dbraw/zinc/26/67/58/749266758.db2.gz SBUPSSSBDUPWGI-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358974 749266760 /nfs/dbraw/zinc/26/67/60/749266760.db2.gz SBUPSSSBDUPWGI-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358974 749266763 /nfs/dbraw/zinc/26/67/63/749266763.db2.gz SBUPSSSBDUPWGI-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108357091 761978004 /nfs/dbraw/zinc/97/80/04/761978004.db2.gz XNWGDKYLIUTXSA-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357091 761978009 /nfs/dbraw/zinc/97/80/09/761978009.db2.gz XNWGDKYLIUTXSA-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357091 761978012 /nfs/dbraw/zinc/97/80/12/761978012.db2.gz XNWGDKYLIUTXSA-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862204 749772639 /nfs/dbraw/zinc/77/26/39/749772639.db2.gz CNURFDSPJSWRCC-OAGGEKHMSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424021 749885668 /nfs/dbraw/zinc/88/56/68/749885668.db2.gz BPJGKJHSTGNUKO-NCOADZHNSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438627 749959471 /nfs/dbraw/zinc/95/94/71/749959471.db2.gz FIWVIWBEYICHSV-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438627 749959475 /nfs/dbraw/zinc/95/94/75/749959475.db2.gz FIWVIWBEYICHSV-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438627 749959479 /nfs/dbraw/zinc/95/94/79/749959479.db2.gz FIWVIWBEYICHSV-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039406012 762004969 /nfs/dbraw/zinc/00/49/69/762004969.db2.gz UOXOHMSTVCRCLN-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039406012 762004981 /nfs/dbraw/zinc/00/49/81/762004981.db2.gz UOXOHMSTVCRCLN-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033875325 750009990 /nfs/dbraw/zinc/00/99/90/750009990.db2.gz QKUTXMRVVQZGCQ-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033875325 750009998 /nfs/dbraw/zinc/00/99/98/750009998.db2.gz QKUTXMRVVQZGCQ-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033875325 750010004 /nfs/dbraw/zinc/01/00/04/750010004.db2.gz QKUTXMRVVQZGCQ-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033875325 750010010 /nfs/dbraw/zinc/01/00/10/750010010.db2.gz QKUTXMRVVQZGCQ-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426432 750046856 /nfs/dbraw/zinc/04/68/56/750046856.db2.gz TWIGVJYRHMTJJJ-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127785240 750057341 /nfs/dbraw/zinc/05/73/41/750057341.db2.gz HPQGOKBIQVTRHD-JKSUJKDBSA-N 2 1 311.470 1.526 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546458 750116976 /nfs/dbraw/zinc/11/69/76/750116976.db2.gz CYSIIKJRSDQZHQ-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546458 750116981 /nfs/dbraw/zinc/11/69/81/750116981.db2.gz CYSIIKJRSDQZHQ-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546458 750116985 /nfs/dbraw/zinc/11/69/85/750116985.db2.gz CYSIIKJRSDQZHQ-LZLYRXPVSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC#CC)CC1 ZINC000997148806 750575552 /nfs/dbraw/zinc/57/55/52/750575552.db2.gz KEZZTCUOTZUZJG-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC#CC)CC1 ZINC000997148806 750575554 /nfs/dbraw/zinc/57/55/54/750575554.db2.gz KEZZTCUOTZUZJG-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589204 750613823 /nfs/dbraw/zinc/61/38/23/750613823.db2.gz SIWFDQPPXBIKMY-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997168060 750650524 /nfs/dbraw/zinc/65/05/24/750650524.db2.gz BOOJDXLFSSOSLJ-IIAWOOMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997168060 750650528 /nfs/dbraw/zinc/65/05/28/750650528.db2.gz BOOJDXLFSSOSLJ-IIAWOOMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001005579640 750654719 /nfs/dbraw/zinc/65/47/19/750654719.db2.gz BOPPBISCXDXQFV-NVXWUHKLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001005579640 750654722 /nfs/dbraw/zinc/65/47/22/750654722.db2.gz BOPPBISCXDXQFV-NVXWUHKLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997334007 750765584 /nfs/dbraw/zinc/76/55/84/750765584.db2.gz AJYYQAYGABSXGG-AWEZNQCLSA-N 2 1 315.845 1.040 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997334007 750765588 /nfs/dbraw/zinc/76/55/88/750765588.db2.gz AJYYQAYGABSXGG-AWEZNQCLSA-N 2 1 315.845 1.040 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107953037 750850190 /nfs/dbraw/zinc/85/01/90/750850190.db2.gz OYBIYYDNJVMBKS-INMHGKMJSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107953037 750850198 /nfs/dbraw/zinc/85/01/98/750850198.db2.gz OYBIYYDNJVMBKS-INMHGKMJSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107953037 750850206 /nfs/dbraw/zinc/85/02/06/750850206.db2.gz OYBIYYDNJVMBKS-INMHGKMJSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769782 751065414 /nfs/dbraw/zinc/06/54/14/751065414.db2.gz HOKFNVGEGCLTJH-SIXLDLHFSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418321 762111804 /nfs/dbraw/zinc/11/18/04/762111804.db2.gz TYTTUIJQRYHFKB-SFHVURJKSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418321 762111809 /nfs/dbraw/zinc/11/18/09/762111809.db2.gz TYTTUIJQRYHFKB-SFHVURJKSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035227143 751306686 /nfs/dbraw/zinc/30/66/86/751306686.db2.gz OWHVDUIMTWLRRQ-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035227143 751306693 /nfs/dbraw/zinc/30/66/93/751306693.db2.gz OWHVDUIMTWLRRQ-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035227143 751306701 /nfs/dbraw/zinc/30/67/01/751306701.db2.gz OWHVDUIMTWLRRQ-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007986876 752483635 /nfs/dbraw/zinc/48/36/35/752483635.db2.gz AFYFEJVXDXDCMB-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007986876 752483642 /nfs/dbraw/zinc/48/36/42/752483642.db2.gz AFYFEJVXDXDCMB-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007986876 752483650 /nfs/dbraw/zinc/48/36/50/752483650.db2.gz AFYFEJVXDXDCMB-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999124698 752549824 /nfs/dbraw/zinc/54/98/24/752549824.db2.gz AXNPCYZGHBDCPP-UHFFFAOYSA-N 2 1 316.449 1.917 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999165630 752592272 /nfs/dbraw/zinc/59/22/72/752592272.db2.gz UIZNWDFDTPMKDG-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009054373 753050958 /nfs/dbraw/zinc/05/09/58/753050958.db2.gz ZGGVFKUISLRKLO-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009054373 753050959 /nfs/dbraw/zinc/05/09/59/753050959.db2.gz ZGGVFKUISLRKLO-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108166220 753186548 /nfs/dbraw/zinc/18/65/48/753186548.db2.gz WUBOGEMRMUDALQ-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005870839 753286105 /nfs/dbraw/zinc/28/61/05/753286105.db2.gz VJZTZWXXQHDKEG-KRWDZBQOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005870839 753286113 /nfs/dbraw/zinc/28/61/13/753286113.db2.gz VJZTZWXXQHDKEG-KRWDZBQOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999987545 753299664 /nfs/dbraw/zinc/29/96/64/753299664.db2.gz XTVGGHVMTFNYJM-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993491 753357271 /nfs/dbraw/zinc/35/72/71/753357271.db2.gz RIGDIROSMPJQEX-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993491 753357276 /nfs/dbraw/zinc/35/72/76/753357276.db2.gz RIGDIROSMPJQEX-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001108024459 753574443 /nfs/dbraw/zinc/57/44/43/753574443.db2.gz LOWCHJMSKYQBMR-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108024459 753574450 /nfs/dbraw/zinc/57/44/50/753574450.db2.gz LOWCHJMSKYQBMR-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001108024459 753574458 /nfs/dbraw/zinc/57/44/58/753574458.db2.gz LOWCHJMSKYQBMR-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000888349 762305295 /nfs/dbraw/zinc/30/52/95/762305295.db2.gz YRGQLRRELAUSMS-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888349 762305301 /nfs/dbraw/zinc/30/53/01/762305301.db2.gz YRGQLRRELAUSMS-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888349 762305307 /nfs/dbraw/zinc/30/53/07/762305307.db2.gz YRGQLRRELAUSMS-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698223 755534832 /nfs/dbraw/zinc/53/48/32/755534832.db2.gz PSJCQZZLPCUISQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698223 755534835 /nfs/dbraw/zinc/53/48/35/755534835.db2.gz PSJCQZZLPCUISQ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001040239902 762452714 /nfs/dbraw/zinc/45/27/14/762452714.db2.gz AREMXFSGWQXRMH-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC)C2 ZINC001040244811 762456373 /nfs/dbraw/zinc/45/63/73/762456373.db2.gz NXZVDTYNBKABOB-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC)C2 ZINC001040244811 762456379 /nfs/dbraw/zinc/45/63/79/762456379.db2.gz NXZVDTYNBKABOB-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC)C2 ZINC001040244811 762456383 /nfs/dbraw/zinc/45/63/83/762456383.db2.gz NXZVDTYNBKABOB-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC)C2 ZINC001040244811 762456390 /nfs/dbraw/zinc/45/63/90/762456390.db2.gz NXZVDTYNBKABOB-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015602728 756404395 /nfs/dbraw/zinc/40/43/95/756404395.db2.gz HDSRMYCFAJUFDU-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015602728 756404397 /nfs/dbraw/zinc/40/43/97/756404397.db2.gz HDSRMYCFAJUFDU-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015602728 756404401 /nfs/dbraw/zinc/40/44/01/756404401.db2.gz HDSRMYCFAJUFDU-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CCN1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082200011 756673595 /nfs/dbraw/zinc/67/35/95/756673595.db2.gz MVJNAJURHHRQIV-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016669553 757252352 /nfs/dbraw/zinc/25/23/52/757252352.db2.gz JYTFUIZUEJGBJX-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC(C)C)CC2 ZINC001016669553 757252366 /nfs/dbraw/zinc/25/23/66/757252366.db2.gz JYTFUIZUEJGBJX-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090820 757277737 /nfs/dbraw/zinc/27/77/37/757277737.db2.gz KBZOARUJQXIMDJ-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403546 757562369 /nfs/dbraw/zinc/56/23/69/757562369.db2.gz YTTDUWKATADSKX-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403546 757562373 /nfs/dbraw/zinc/56/23/73/757562373.db2.gz YTTDUWKATADSKX-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403546 757562376 /nfs/dbraw/zinc/56/23/76/757562376.db2.gz YTTDUWKATADSKX-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701765 757792299 /nfs/dbraw/zinc/79/22/99/757792299.db2.gz QVUHGNYEFHFGAB-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701765 757792309 /nfs/dbraw/zinc/79/23/09/757792309.db2.gz QVUHGNYEFHFGAB-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701765 757792315 /nfs/dbraw/zinc/79/23/15/757792315.db2.gz QVUHGNYEFHFGAB-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084971963 758112929 /nfs/dbraw/zinc/11/29/29/758112929.db2.gz JEXSDIQVLIAQSD-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084971963 758112935 /nfs/dbraw/zinc/11/29/35/758112935.db2.gz JEXSDIQVLIAQSD-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084971963 758112940 /nfs/dbraw/zinc/11/29/40/758112940.db2.gz JEXSDIQVLIAQSD-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032239 758163295 /nfs/dbraw/zinc/16/32/95/758163295.db2.gz XHMIVZDGUZZUCW-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032239 758163301 /nfs/dbraw/zinc/16/33/01/758163301.db2.gz XHMIVZDGUZZUCW-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032239 758163308 /nfs/dbraw/zinc/16/33/08/758163308.db2.gz XHMIVZDGUZZUCW-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001018027635 758487505 /nfs/dbraw/zinc/48/75/05/758487505.db2.gz YGIULBXJOORADS-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001018027635 758487507 /nfs/dbraw/zinc/48/75/07/758487507.db2.gz YGIULBXJOORADS-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018027635 758487511 /nfs/dbraw/zinc/48/75/11/758487511.db2.gz YGIULBXJOORADS-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001018027635 758487514 /nfs/dbraw/zinc/48/75/14/758487514.db2.gz YGIULBXJOORADS-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001018027634 758487788 /nfs/dbraw/zinc/48/77/88/758487788.db2.gz YGIULBXJOORADS-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001018027634 758487790 /nfs/dbraw/zinc/48/77/90/758487790.db2.gz YGIULBXJOORADS-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001018027634 758487792 /nfs/dbraw/zinc/48/77/92/758487792.db2.gz YGIULBXJOORADS-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001018027634 758487794 /nfs/dbraw/zinc/48/77/94/758487794.db2.gz YGIULBXJOORADS-FGTMMUONSA-N 2 1 317.477 1.948 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115302812 762636479 /nfs/dbraw/zinc/63/64/79/762636479.db2.gz VSMZJLVQOQCLMB-HZMVEIRTSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085229603 759176884 /nfs/dbraw/zinc/17/68/84/759176884.db2.gz ALTKEZOZHDPODF-KURKYZTESA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CC1 ZINC001085229603 759176888 /nfs/dbraw/zinc/17/68/88/759176888.db2.gz ALTKEZOZHDPODF-KURKYZTESA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054228725 759317549 /nfs/dbraw/zinc/31/75/49/759317549.db2.gz XZUKBBOQUSYNDF-QGZVFWFLSA-N 2 1 301.434 1.030 20 30 DDEDMP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054291994 759398470 /nfs/dbraw/zinc/39/84/70/759398470.db2.gz OAEGICAEAKTEDF-QGZVFWFLSA-N 2 1 311.429 1.593 20 30 DDEDMP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054291994 759398482 /nfs/dbraw/zinc/39/84/82/759398482.db2.gz OAEGICAEAKTEDF-QGZVFWFLSA-N 2 1 311.429 1.593 20 30 DDEDMP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291994 759398492 /nfs/dbraw/zinc/39/84/92/759398492.db2.gz OAEGICAEAKTEDF-QGZVFWFLSA-N 2 1 311.429 1.593 20 30 DDEDMP CC#CC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)cc2C1 ZINC001054291994 759398504 /nfs/dbraw/zinc/39/85/04/759398504.db2.gz OAEGICAEAKTEDF-QGZVFWFLSA-N 2 1 311.429 1.593 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC=C)C2)CC1 ZINC001046850204 767982143 /nfs/dbraw/zinc/98/21/43/767982143.db2.gz PLMIBCNMWAGEDS-GOSISDBHSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100039987 761112659 /nfs/dbraw/zinc/11/26/59/761112659.db2.gz ZJJHZVKAYDQWBF-IRXDYDNUSA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100039987 761112662 /nfs/dbraw/zinc/11/26/62/761112662.db2.gz ZJJHZVKAYDQWBF-IRXDYDNUSA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100039987 761112670 /nfs/dbraw/zinc/11/26/70/761112670.db2.gz ZJJHZVKAYDQWBF-IRXDYDNUSA-N 2 1 323.481 1.073 20 30 DDEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038703508 761304280 /nfs/dbraw/zinc/30/42/80/761304280.db2.gz JXQORVRLWLQCEM-KRWDZBQOSA-N 2 1 301.434 1.781 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038703508 761304286 /nfs/dbraw/zinc/30/42/86/761304286.db2.gz JXQORVRLWLQCEM-KRWDZBQOSA-N 2 1 301.434 1.781 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000103244 761511085 /nfs/dbraw/zinc/51/10/85/761511085.db2.gz XISJDOHRTJXZMF-INIZCTEOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC001039135276 761769939 /nfs/dbraw/zinc/76/99/39/761769939.db2.gz ZKMBYWXZXDRNBP-ZWKOTPCHSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001156064170 761779078 /nfs/dbraw/zinc/77/90/78/761779078.db2.gz OZNJYQKQCJWROF-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225908 761860766 /nfs/dbraw/zinc/86/07/66/761860766.db2.gz SEOLICAODCEZCC-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040848428 762704001 /nfs/dbraw/zinc/70/40/01/762704001.db2.gz HRNYJCJWBAODCB-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040939788 762738952 /nfs/dbraw/zinc/73/89/52/762738952.db2.gz VVCDCNVDMKZJIF-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764592 762924198 /nfs/dbraw/zinc/92/41/98/762924198.db2.gz QBXFGCLPZYYQIK-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041300658 762945066 /nfs/dbraw/zinc/94/50/66/762945066.db2.gz JCNDJVXCYAOTIY-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300658 762945068 /nfs/dbraw/zinc/94/50/68/762945068.db2.gz JCNDJVXCYAOTIY-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300658 762945070 /nfs/dbraw/zinc/94/50/70/762945070.db2.gz JCNDJVXCYAOTIY-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001131377026 768102256 /nfs/dbraw/zinc/10/22/56/768102256.db2.gz FJIXJUGQDLAPQW-UHFFFAOYSA-N 2 1 315.352 1.108 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041477609 763063960 /nfs/dbraw/zinc/06/39/60/763063960.db2.gz AGKLCVXQGXYRGS-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041477609 763063965 /nfs/dbraw/zinc/06/39/65/763063965.db2.gz AGKLCVXQGXYRGS-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050332313 763475183 /nfs/dbraw/zinc/47/51/83/763475183.db2.gz BATXBHYRDFQEQE-BZSNNMDCSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC2)CC1 ZINC001050332313 763475186 /nfs/dbraw/zinc/47/51/86/763475186.db2.gz BATXBHYRDFQEQE-BZSNNMDCSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042133866 763690028 /nfs/dbraw/zinc/69/00/28/763690028.db2.gz MJFUHVPSXXFCHH-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042215874 763779846 /nfs/dbraw/zinc/77/98/46/763779846.db2.gz IUYDGNADFIQKCC-NVXWUHKLSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992759 768176507 /nfs/dbraw/zinc/17/65/07/768176507.db2.gz BYJJLWNKQXSGIH-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992759 768176508 /nfs/dbraw/zinc/17/65/08/768176508.db2.gz BYJJLWNKQXSGIH-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046992759 768176510 /nfs/dbraw/zinc/17/65/10/768176510.db2.gz BYJJLWNKQXSGIH-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001046992759 768176512 /nfs/dbraw/zinc/17/65/12/768176512.db2.gz BYJJLWNKQXSGIH-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001109717278 763966322 /nfs/dbraw/zinc/96/63/22/763966322.db2.gz JISAUPFCZABIDB-YVSFHVDLSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717278 763966327 /nfs/dbraw/zinc/96/63/27/763966327.db2.gz JISAUPFCZABIDB-YVSFHVDLSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001109717278 763966332 /nfs/dbraw/zinc/96/63/32/763966332.db2.gz JISAUPFCZABIDB-YVSFHVDLSA-N 2 1 321.465 1.395 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131692327 768275135 /nfs/dbraw/zinc/27/51/35/768275135.db2.gz GLVPISUUKIBRJH-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131693122 768276156 /nfs/dbraw/zinc/27/61/56/768276156.db2.gz NBIVZCUBXWFSHI-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131693122 768276158 /nfs/dbraw/zinc/27/61/58/768276158.db2.gz NBIVZCUBXWFSHI-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131693122 768276160 /nfs/dbraw/zinc/27/61/60/768276160.db2.gz NBIVZCUBXWFSHI-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131697406 768278809 /nfs/dbraw/zinc/27/88/09/768278809.db2.gz KNJWBZAEASYDTA-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697406 768278812 /nfs/dbraw/zinc/27/88/12/768278812.db2.gz KNJWBZAEASYDTA-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697406 768278816 /nfs/dbraw/zinc/27/88/16/768278816.db2.gz KNJWBZAEASYDTA-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045922002 766702245 /nfs/dbraw/zinc/70/22/45/766702245.db2.gz WRAJKUROVZSCDI-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045922002 766702247 /nfs/dbraw/zinc/70/22/47/766702247.db2.gz WRAJKUROVZSCDI-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045922002 766702248 /nfs/dbraw/zinc/70/22/48/766702248.db2.gz WRAJKUROVZSCDI-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623425 766937542 /nfs/dbraw/zinc/93/75/42/766937542.db2.gz CXXUPZDFDOQDNN-OKZBNKHCSA-N 2 1 313.445 1.708 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311785 768750064 /nfs/dbraw/zinc/75/00/64/768750064.db2.gz YDAPAIUASOJRTM-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311785 768750066 /nfs/dbraw/zinc/75/00/66/768750066.db2.gz YDAPAIUASOJRTM-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132311785 768750069 /nfs/dbraw/zinc/75/00/69/768750069.db2.gz YDAPAIUASOJRTM-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132488934 768921429 /nfs/dbraw/zinc/92/14/29/768921429.db2.gz DGIXDLZECNTHAH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560906 769533849 /nfs/dbraw/zinc/53/38/49/769533849.db2.gz XZJMIZMTNUCXMA-VBUUOAMHSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071650262 769796000 /nfs/dbraw/zinc/79/60/00/769796000.db2.gz AICQTKJKAKZOSR-GOEBONIOSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857666 769997255 /nfs/dbraw/zinc/99/72/55/769997255.db2.gz IYLXMMOWVIEMPQ-OKZBNKHCSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857666 769997262 /nfs/dbraw/zinc/99/72/62/769997262.db2.gz IYLXMMOWVIEMPQ-OKZBNKHCSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857666 769997270 /nfs/dbraw/zinc/99/72/70/769997270.db2.gz IYLXMMOWVIEMPQ-OKZBNKHCSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001048869900 770020027 /nfs/dbraw/zinc/02/00/27/770020027.db2.gz GXBJQFGLFUHMGQ-BDXSIMOUSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001048869900 770020039 /nfs/dbraw/zinc/02/00/39/770020039.db2.gz GXBJQFGLFUHMGQ-BDXSIMOUSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@@H]2C1 ZINC001048869900 770020049 /nfs/dbraw/zinc/02/00/49/770020049.db2.gz GXBJQFGLFUHMGQ-BDXSIMOUSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)CC)C[C@@H]2C1 ZINC001048869900 770020063 /nfs/dbraw/zinc/02/00/63/770020063.db2.gz GXBJQFGLFUHMGQ-BDXSIMOUSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107261 770385600 /nfs/dbraw/zinc/38/56/00/770385600.db2.gz CFMGKMPFRDSJLB-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107261 770385612 /nfs/dbraw/zinc/38/56/12/770385612.db2.gz CFMGKMPFRDSJLB-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107261 770385625 /nfs/dbraw/zinc/38/56/25/770385625.db2.gz CFMGKMPFRDSJLB-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478931 770908369 /nfs/dbraw/zinc/90/83/69/770908369.db2.gz VNZKHPOODYCRAE-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049483626 770914283 /nfs/dbraw/zinc/91/42/83/770914283.db2.gz BAACMUZFYGHXBW-QBPKDAKJSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049483626 770914289 /nfs/dbraw/zinc/91/42/89/770914289.db2.gz BAACMUZFYGHXBW-QBPKDAKJSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049483626 770914291 /nfs/dbraw/zinc/91/42/91/770914291.db2.gz BAACMUZFYGHXBW-QBPKDAKJSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535032 770993504 /nfs/dbraw/zinc/99/35/04/770993504.db2.gz XZUMVANNBPMOLY-ULQDDVLXSA-N 2 1 305.466 1.661 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049639355 771042539 /nfs/dbraw/zinc/04/25/39/771042539.db2.gz PJPREWZKKZFMGY-IRXDYDNUSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049839688 771198679 /nfs/dbraw/zinc/19/86/79/771198679.db2.gz JQSDACPEMICTTD-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049839688 771198680 /nfs/dbraw/zinc/19/86/80/771198680.db2.gz JQSDACPEMICTTD-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001049839688 771198682 /nfs/dbraw/zinc/19/86/82/771198682.db2.gz JQSDACPEMICTTD-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049919686 771261357 /nfs/dbraw/zinc/26/13/57/771261357.db2.gz PJDBLKGVQIRFGB-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919686 771261362 /nfs/dbraw/zinc/26/13/62/771261362.db2.gz PJDBLKGVQIRFGB-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919686 771261365 /nfs/dbraw/zinc/26/13/65/771261365.db2.gz PJDBLKGVQIRFGB-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001171215423 772604670 /nfs/dbraw/zinc/60/46/70/772604670.db2.gz CMMXDPNGDCIMTG-CYBMUJFWSA-N 2 1 320.462 1.557 20 30 DDEDMP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001146719691 772926056 /nfs/dbraw/zinc/92/60/56/772926056.db2.gz UWDGDILQMWYWNO-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001146719691 772926057 /nfs/dbraw/zinc/92/60/57/772926057.db2.gz UWDGDILQMWYWNO-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627204 773235049 /nfs/dbraw/zinc/23/50/49/773235049.db2.gz HUFIDHKWYLDUKB-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627204 773235055 /nfs/dbraw/zinc/23/50/55/773235055.db2.gz HUFIDHKWYLDUKB-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627204 773235063 /nfs/dbraw/zinc/23/50/63/773235063.db2.gz HUFIDHKWYLDUKB-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627498 773237409 /nfs/dbraw/zinc/23/74/09/773237409.db2.gz XEWFIHFACMOATR-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627498 773237414 /nfs/dbraw/zinc/23/74/14/773237414.db2.gz XEWFIHFACMOATR-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627498 773237418 /nfs/dbraw/zinc/23/74/18/773237418.db2.gz XEWFIHFACMOATR-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748744 773591142 /nfs/dbraw/zinc/59/11/42/773591142.db2.gz XESQBGWNEDIDCP-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748744 773591145 /nfs/dbraw/zinc/59/11/45/773591145.db2.gz XESQBGWNEDIDCP-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748744 773591146 /nfs/dbraw/zinc/59/11/46/773591146.db2.gz XESQBGWNEDIDCP-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819020 773828607 /nfs/dbraw/zinc/82/86/07/773828607.db2.gz NAQQIKIIPJGFAN-AEFFLSMTSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc4nccn43)CC[C@@H]21 ZINC001036771552 774562120 /nfs/dbraw/zinc/56/21/20/774562120.db2.gz JEDJMMGLBYXVKP-HOTGVXAUSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810192 774695157 /nfs/dbraw/zinc/69/51/57/774695157.db2.gz XJAJJMVWVVFMHW-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099542593 775022003 /nfs/dbraw/zinc/02/20/03/775022003.db2.gz CCROVBZBUXLQRL-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100039960 775604657 /nfs/dbraw/zinc/60/46/57/775604657.db2.gz YZVPMHDNBUUAMZ-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100039960 775604660 /nfs/dbraw/zinc/60/46/60/775604660.db2.gz YZVPMHDNBUUAMZ-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100039960 775604665 /nfs/dbraw/zinc/60/46/65/775604665.db2.gz YZVPMHDNBUUAMZ-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172133310 776634313 /nfs/dbraw/zinc/63/43/13/776634313.db2.gz CQAIADXXYDZNDJ-AYHJJNSGSA-N 3 1 316.449 1.515 20 30 DDEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+]C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172133310 776634316 /nfs/dbraw/zinc/63/43/16/776634316.db2.gz CQAIADXXYDZNDJ-AYHJJNSGSA-N 3 1 316.449 1.515 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001094999571 776968643 /nfs/dbraw/zinc/96/86/43/776968643.db2.gz IPZJIIXUCWVXKU-JYJNAYRXSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001095008679 776978848 /nfs/dbraw/zinc/97/88/48/776978848.db2.gz IIQHRVULTSUYDW-XHSDSOJGSA-N 2 1 314.433 1.609 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473160 777158450 /nfs/dbraw/zinc/15/84/50/777158450.db2.gz IRLOACOMYYHAAK-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001150318575 777404091 /nfs/dbraw/zinc/40/40/91/777404091.db2.gz RTFRFMXJLROCSR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150318575 777404093 /nfs/dbraw/zinc/40/40/93/777404093.db2.gz RTFRFMXJLROCSR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150318575 777404095 /nfs/dbraw/zinc/40/40/95/777404095.db2.gz RTFRFMXJLROCSR-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103171371 778687180 /nfs/dbraw/zinc/68/71/80/778687180.db2.gz YMSKYIPOJCUZSM-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103171371 778687184 /nfs/dbraw/zinc/68/71/84/778687184.db2.gz YMSKYIPOJCUZSM-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001103174352 778688826 /nfs/dbraw/zinc/68/88/26/778688826.db2.gz KHUBTHLERHZELQ-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174352 778688828 /nfs/dbraw/zinc/68/88/28/778688828.db2.gz KHUBTHLERHZELQ-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001103174352 778688830 /nfs/dbraw/zinc/68/88/30/778688830.db2.gz KHUBTHLERHZELQ-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001103663673 778984420 /nfs/dbraw/zinc/98/44/20/778984420.db2.gz NKABNUJLSIXGCW-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001103663673 778984423 /nfs/dbraw/zinc/98/44/23/778984423.db2.gz NKABNUJLSIXGCW-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP CCC[NH+](C)CC(=O)NCC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001103663673 778984430 /nfs/dbraw/zinc/98/44/30/778984430.db2.gz NKABNUJLSIXGCW-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178535407 779082992 /nfs/dbraw/zinc/08/29/92/779082992.db2.gz IXQSRCVAHIXRNC-IRXDYDNUSA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104215117 779377399 /nfs/dbraw/zinc/37/73/99/779377399.db2.gz NXVDRLFGWIZCSH-ZJPYXAASSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299510 779690948 /nfs/dbraw/zinc/69/09/48/779690948.db2.gz QHZHIOQKYHMWGX-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001180299510 779690956 /nfs/dbraw/zinc/69/09/56/779690956.db2.gz QHZHIOQKYHMWGX-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988671 779805489 /nfs/dbraw/zinc/80/54/89/779805489.db2.gz JTDSZUCAGOBRSV-HZMVEIRTSA-N 2 1 307.482 1.975 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001267145432 837414009 /nfs/dbraw/zinc/41/40/09/837414009.db2.gz FALVPCDXMOOHMD-HNNXBMFYSA-N 2 1 320.437 1.141 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266251754 835988656 /nfs/dbraw/zinc/98/86/56/835988656.db2.gz GGRAACZKEIRYLJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266251754 835988666 /nfs/dbraw/zinc/98/86/66/835988666.db2.gz GGRAACZKEIRYLJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266251754 835988677 /nfs/dbraw/zinc/98/86/77/835988677.db2.gz GGRAACZKEIRYLJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266251754 835988685 /nfs/dbraw/zinc/98/86/85/835988685.db2.gz GGRAACZKEIRYLJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266539828 836438202 /nfs/dbraw/zinc/43/82/02/836438202.db2.gz JKEXHYJCBLCLQL-QGZVFWFLSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266548912 836449969 /nfs/dbraw/zinc/44/99/69/836449969.db2.gz JXARULPKZZRANP-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@@H+](CCC)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266579547 836491903 /nfs/dbraw/zinc/49/19/03/836491903.db2.gz SQPONNRNDREIKI-UHFFFAOYSA-N 2 1 301.434 1.823 20 30 DDEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001267356279 837899627 /nfs/dbraw/zinc/89/96/27/837899627.db2.gz CLBBWUJPULRYDS-IAGOWNOFSA-N 2 1 317.433 1.340 20 30 DDEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001267356279 837899631 /nfs/dbraw/zinc/89/96/31/837899631.db2.gz CLBBWUJPULRYDS-IAGOWNOFSA-N 2 1 317.433 1.340 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001267386701 837966259 /nfs/dbraw/zinc/96/62/59/837966259.db2.gz RFRHKRCISQMSTR-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001267386701 837966263 /nfs/dbraw/zinc/96/62/63/837966263.db2.gz RFRHKRCISQMSTR-KRWDZBQOSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267830279 839045468 /nfs/dbraw/zinc/04/54/68/839045468.db2.gz BLZCQJHIWPIAGW-DLBZAZTESA-N 2 1 301.434 1.797 20 30 DDEDMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001268000772 839352205 /nfs/dbraw/zinc/35/22/05/839352205.db2.gz PDKDCJZKJABDOP-DOTOQJQBSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)C ZINC001268212172 839841388 /nfs/dbraw/zinc/84/13/88/839841388.db2.gz HIAWAEBUIPHRPV-LSDHHAIUSA-N 2 1 304.438 1.760 20 30 DDEDMP C#CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001269616293 841827898 /nfs/dbraw/zinc/82/78/98/841827898.db2.gz KHDIDYYZUNZGLV-UHFFFAOYSA-N 2 1 317.477 1.856 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001269742746 841999469 /nfs/dbraw/zinc/99/94/69/841999469.db2.gz VPOMOSXOCRNUIY-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](F)CC ZINC001270221703 842399709 /nfs/dbraw/zinc/39/97/09/842399709.db2.gz JJVOCLYJHOMENS-XHSDSOJGSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](F)CC ZINC001270221703 842399721 /nfs/dbraw/zinc/39/97/21/842399721.db2.gz JJVOCLYJHOMENS-XHSDSOJGSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001326364709 861306282 /nfs/dbraw/zinc/30/62/82/861306282.db2.gz MQZSRWBEOYSEMI-INIZCTEOSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001270633585 842760305 /nfs/dbraw/zinc/76/03/05/842760305.db2.gz UUQPDYZEYCOIIJ-YOEHRIQHSA-N 2 1 320.437 1.372 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001270633585 842760308 /nfs/dbraw/zinc/76/03/08/842760308.db2.gz UUQPDYZEYCOIIJ-YOEHRIQHSA-N 2 1 320.437 1.372 20 30 DDEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001270965758 843091650 /nfs/dbraw/zinc/09/16/50/843091650.db2.gz OIHQQJVPYDQGFR-DOTOQJQBSA-N 2 1 311.445 1.518 20 30 DDEDMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001326450258 861381566 /nfs/dbraw/zinc/38/15/66/861381566.db2.gz YJPBESFKYSRMMQ-SFHVURJKSA-N 2 1 315.461 1.954 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001271044760 843159810 /nfs/dbraw/zinc/15/98/10/843159810.db2.gz WEGQEQCTKITEAE-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001326489578 861403518 /nfs/dbraw/zinc/40/35/18/861403518.db2.gz JGGYSJLUQLCFAA-NVXWUHKLSA-N 2 1 313.445 1.928 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001271254369 843448215 /nfs/dbraw/zinc/44/82/15/843448215.db2.gz MXDCMHDNMKCITG-HOTGVXAUSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001271254369 843448217 /nfs/dbraw/zinc/44/82/17/843448217.db2.gz MXDCMHDNMKCITG-HOTGVXAUSA-N 2 1 311.470 1.404 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001271575938 843704319 /nfs/dbraw/zinc/70/43/19/843704319.db2.gz KVGCJKNCUKCLAG-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001328808119 863244552 /nfs/dbraw/zinc/24/45/52/863244552.db2.gz NMEGJKNZGXNMGJ-IAGOWNOFSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272673114 846564999 /nfs/dbraw/zinc/56/49/99/846564999.db2.gz MDRCXFYRJPIOEC-GOSISDBHSA-N 2 1 308.385 1.763 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+]2Cc2c[nH]c3cc[nH+]cc23)C1=O ZINC001272673114 846565003 /nfs/dbraw/zinc/56/50/03/846565003.db2.gz MDRCXFYRJPIOEC-GOSISDBHSA-N 2 1 308.385 1.763 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272716918 846706242 /nfs/dbraw/zinc/70/62/42/846706242.db2.gz MNGMNSKUGBLCCO-IBGZPJMESA-N 2 1 317.477 1.953 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272716918 846706256 /nfs/dbraw/zinc/70/62/56/846706256.db2.gz MNGMNSKUGBLCCO-IBGZPJMESA-N 2 1 317.477 1.953 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000997009049 847121162 /nfs/dbraw/zinc/12/11/62/847121162.db2.gz XQNWWMFBPNGUNC-QGZVFWFLSA-N 2 1 311.445 1.966 20 30 DDEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001272829792 847519490 /nfs/dbraw/zinc/51/94/90/847519490.db2.gz LZUZLGLVLVSDSA-DOTOQJQBSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@H+](CC1CC[NH+](C)CC1)C2 ZINC001272888335 847592663 /nfs/dbraw/zinc/59/26/63/847592663.db2.gz VYJUCHCVIZZXSC-SFHVURJKSA-N 2 1 321.465 1.065 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034211858 848119409 /nfs/dbraw/zinc/11/94/09/848119409.db2.gz PEDWMKUXSORKTG-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254692 861895524 /nfs/dbraw/zinc/89/55/24/861895524.db2.gz DQUAKZUPTAFCKF-JKSUJKDBSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155254692 861895542 /nfs/dbraw/zinc/89/55/42/861895542.db2.gz DQUAKZUPTAFCKF-JKSUJKDBSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155254692 861895559 /nfs/dbraw/zinc/89/55/59/861895559.db2.gz DQUAKZUPTAFCKF-JKSUJKDBSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001034365194 848420976 /nfs/dbraw/zinc/42/09/76/848420976.db2.gz YPLGXLRICGYQCZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365194 848420980 /nfs/dbraw/zinc/42/09/80/848420980.db2.gz YPLGXLRICGYQCZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365194 848420986 /nfs/dbraw/zinc/42/09/86/848420986.db2.gz YPLGXLRICGYQCZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365194 848420990 /nfs/dbraw/zinc/42/09/90/848420990.db2.gz YPLGXLRICGYQCZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365194 848420997 /nfs/dbraw/zinc/42/09/97/848420997.db2.gz YPLGXLRICGYQCZ-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144926 848569247 /nfs/dbraw/zinc/56/92/47/848569247.db2.gz UJZYEFNAEDQOGJ-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144926 848569257 /nfs/dbraw/zinc/56/92/57/848569257.db2.gz UJZYEFNAEDQOGJ-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144926 848569263 /nfs/dbraw/zinc/56/92/63/848569263.db2.gz UJZYEFNAEDQOGJ-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145961 848578092 /nfs/dbraw/zinc/57/80/92/848578092.db2.gz ZTTQJCMPOAWNHD-SJLPKXTDSA-N 2 1 318.465 1.556 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145961 848578099 /nfs/dbraw/zinc/57/80/99/848578099.db2.gz ZTTQJCMPOAWNHD-SJLPKXTDSA-N 2 1 318.465 1.556 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)C1 ZINC001273145961 848578107 /nfs/dbraw/zinc/57/81/07/848578107.db2.gz ZTTQJCMPOAWNHD-SJLPKXTDSA-N 2 1 318.465 1.556 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155313891 861951126 /nfs/dbraw/zinc/95/11/26/861951126.db2.gz JSDNBKVZRSIDPL-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001411135025 850271535 /nfs/dbraw/zinc/27/15/35/850271535.db2.gz XSTZCARSGMSCEA-CYBMUJFWSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001327412222 862152919 /nfs/dbraw/zinc/15/29/19/862152919.db2.gz KGRYCTHMNBFAII-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001273547210 851081496 /nfs/dbraw/zinc/08/14/96/851081496.db2.gz XETMYXSUPJOPOS-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001273763092 851315051 /nfs/dbraw/zinc/31/50/51/851315051.db2.gz OIHFYWNXWLIGKL-SJORKVTESA-N 2 1 317.477 1.997 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001152439160 851315618 /nfs/dbraw/zinc/31/56/18/851315618.db2.gz BKWXWVCOZZDYQO-UHFFFAOYSA-N 2 1 306.385 1.243 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451937 862245485 /nfs/dbraw/zinc/24/54/85/862245485.db2.gz CEKFGDVQCWONCH-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451937 862245501 /nfs/dbraw/zinc/24/55/01/862245501.db2.gz CEKFGDVQCWONCH-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001273877572 851455639 /nfs/dbraw/zinc/45/56/39/851455639.db2.gz WYMOIWWPEAJDAF-SJLPKXTDSA-N 2 1 323.481 1.378 20 30 DDEDMP C[NH+](C)CCN1c2ccccc2[C@]2(CC[N@@H+](CCC#N)C2)C1=O ZINC001274031274 851869144 /nfs/dbraw/zinc/86/91/44/851869144.db2.gz MHMTYRBOVJSDRS-GOSISDBHSA-N 2 1 312.417 1.452 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)nc1 ZINC001275032215 852760161 /nfs/dbraw/zinc/76/01/61/852760161.db2.gz KNAVANPOYOKHCW-UHFFFAOYSA-N 2 1 322.416 1.774 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155744398 862424583 /nfs/dbraw/zinc/42/45/83/862424583.db2.gz VIXUPAPLGYFEID-CQSZACIVSA-N 2 1 307.442 1.071 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001275432257 853110313 /nfs/dbraw/zinc/11/03/13/853110313.db2.gz ABDLWJCEIYPSKF-STQMWFEESA-N 2 1 308.426 1.799 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549926 856963674 /nfs/dbraw/zinc/96/36/74/856963674.db2.gz UFJUQDBSOKTFEJ-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549926 856963692 /nfs/dbraw/zinc/96/36/92/856963692.db2.gz UFJUQDBSOKTFEJ-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549926 856963707 /nfs/dbraw/zinc/96/37/07/856963707.db2.gz UFJUQDBSOKTFEJ-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549926 856963712 /nfs/dbraw/zinc/96/37/12/856963712.db2.gz UFJUQDBSOKTFEJ-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049568395 856988659 /nfs/dbraw/zinc/98/86/59/856988659.db2.gz UACKCTFGOUBXKR-IAGOWNOFSA-N 2 1 315.461 1.703 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732791 857649951 /nfs/dbraw/zinc/64/99/51/857649951.db2.gz YEDSYYIYXLQYHP-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732791 857649955 /nfs/dbraw/zinc/64/99/55/857649955.db2.gz YEDSYYIYXLQYHP-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732791 857649957 /nfs/dbraw/zinc/64/99/57/857649957.db2.gz YEDSYYIYXLQYHP-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072811920 857738554 /nfs/dbraw/zinc/73/85/54/857738554.db2.gz LJIZFSGVTMBSSC-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811920 857738560 /nfs/dbraw/zinc/73/85/60/857738560.db2.gz LJIZFSGVTMBSSC-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811920 857738565 /nfs/dbraw/zinc/73/85/65/857738565.db2.gz LJIZFSGVTMBSSC-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072827431 857764531 /nfs/dbraw/zinc/76/45/31/857764531.db2.gz IALASRLHDAIHCN-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072827431 857764537 /nfs/dbraw/zinc/76/45/37/857764537.db2.gz IALASRLHDAIHCN-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001072827431 857764547 /nfs/dbraw/zinc/76/45/47/857764547.db2.gz IALASRLHDAIHCN-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073049911 858049010 /nfs/dbraw/zinc/04/90/10/858049010.db2.gz AWZOWENKLUGALG-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073049911 858049014 /nfs/dbraw/zinc/04/90/14/858049014.db2.gz AWZOWENKLUGALG-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073049911 858049018 /nfs/dbraw/zinc/04/90/18/858049018.db2.gz AWZOWENKLUGALG-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC(=C)C)C3)CC1 ZINC001073455746 858352693 /nfs/dbraw/zinc/35/26/93/858352693.db2.gz NYVWXHWANBDXHD-UHFFFAOYSA-N 2 1 315.461 1.442 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872410 860214978 /nfs/dbraw/zinc/21/49/78/860214978.db2.gz DZQBRINYUCNPAX-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001224855284 881561622 /nfs/dbraw/zinc/56/16/22/881561622.db2.gz LEPSVEGCOKOQBL-UHFFFAOYSA-N 2 1 309.454 1.113 20 30 DDEDMP C#CC[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001328859249 863284995 /nfs/dbraw/zinc/28/49/95/863284995.db2.gz MMGXBBKYWVPSLD-WLYUNCDWSA-N 2 1 302.422 1.514 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001152451808 863359542 /nfs/dbraw/zinc/35/95/42/863359542.db2.gz IGMCQJVBEPYYKQ-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001329151460 863505094 /nfs/dbraw/zinc/50/50/94/863505094.db2.gz OLNWMKLLAQGMGJ-KGLIPLIRSA-N 2 1 311.389 1.387 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC[C@@H](C)F ZINC001153864205 864176972 /nfs/dbraw/zinc/17/69/72/864176972.db2.gz ICNOBORYTDIPQA-OAGGEKHMSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001153864205 864176979 /nfs/dbraw/zinc/17/69/79/864176979.db2.gz ICNOBORYTDIPQA-OAGGEKHMSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC[C@@H](C)F ZINC001153864205 864176987 /nfs/dbraw/zinc/17/69/87/864176987.db2.gz ICNOBORYTDIPQA-OAGGEKHMSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC[C@@H](C)F ZINC001153864205 864176994 /nfs/dbraw/zinc/17/69/94/864176994.db2.gz ICNOBORYTDIPQA-OAGGEKHMSA-N 2 1 311.445 1.659 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001330361620 864274783 /nfs/dbraw/zinc/27/47/83/864274783.db2.gz AUCYMPIADPWTAE-ZJPYXAASSA-N 2 1 319.493 1.977 20 30 DDEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001330487512 864398461 /nfs/dbraw/zinc/39/84/61/864398461.db2.gz JNRLJAXIKBDGHR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001330487512 864398466 /nfs/dbraw/zinc/39/84/66/864398466.db2.gz JNRLJAXIKBDGHR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001330487512 864398478 /nfs/dbraw/zinc/39/84/78/864398478.db2.gz JNRLJAXIKBDGHR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001330487512 864398485 /nfs/dbraw/zinc/39/84/85/864398485.db2.gz JNRLJAXIKBDGHR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001158289481 864542907 /nfs/dbraw/zinc/54/29/07/864542907.db2.gz HKLJOLKDOGJMCV-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC001330891046 864682819 /nfs/dbraw/zinc/68/28/19/864682819.db2.gz FCKFBOOBHGNFRR-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC001330891046 864682815 /nfs/dbraw/zinc/68/28/15/864682815.db2.gz FCKFBOOBHGNFRR-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC001330891046 864682824 /nfs/dbraw/zinc/68/28/24/864682824.db2.gz FCKFBOOBHGNFRR-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC001330891046 864682827 /nfs/dbraw/zinc/68/28/27/864682827.db2.gz FCKFBOOBHGNFRR-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751024 864879191 /nfs/dbraw/zinc/87/91/91/864879191.db2.gz PNIUHTXSCBYXON-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751024 864879212 /nfs/dbraw/zinc/87/92/12/864879212.db2.gz PNIUHTXSCBYXON-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751024 864879232 /nfs/dbraw/zinc/87/92/32/864879232.db2.gz PNIUHTXSCBYXON-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158751583 864881741 /nfs/dbraw/zinc/88/17/41/864881741.db2.gz ZARSUAKHDPQATR-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC1(C)C ZINC001332428284 865836203 /nfs/dbraw/zinc/83/62/03/865836203.db2.gz OCICAOXYBODGSA-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161251743 866469898 /nfs/dbraw/zinc/46/98/98/866469898.db2.gz XGXOLOZSHXFDKF-UHFFFAOYSA-N 2 1 320.275 1.721 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001323479107 866633470 /nfs/dbraw/zinc/63/34/70/866633470.db2.gz FLJHQSWQRZIRDO-UHFFFAOYSA-N 2 1 305.466 1.901 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161649268 866837459 /nfs/dbraw/zinc/83/74/59/866837459.db2.gz AEMPVVYHCIQPHJ-AWEZNQCLSA-N 2 1 301.862 1.955 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001333644449 866897665 /nfs/dbraw/zinc/89/76/65/866897665.db2.gz XHWCBLRMPZFFRW-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001333644449 866897687 /nfs/dbraw/zinc/89/76/87/866897687.db2.gz XHWCBLRMPZFFRW-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001333644449 866897702 /nfs/dbraw/zinc/89/77/02/866897702.db2.gz XHWCBLRMPZFFRW-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001333644449 866897720 /nfs/dbraw/zinc/89/77/20/866897720.db2.gz XHWCBLRMPZFFRW-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC001333644449 866897742 /nfs/dbraw/zinc/89/77/42/866897742.db2.gz XHWCBLRMPZFFRW-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716444 866930378 /nfs/dbraw/zinc/93/03/78/866930378.db2.gz SEWGADYXEGOWCJ-UHFFFAOYSA-N 2 1 301.434 1.244 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](C(C)C)CC2)CC1 ZINC001161947052 867127929 /nfs/dbraw/zinc/12/79/29/867127929.db2.gz UPCXSGFQQHFNRZ-UHFFFAOYSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001324935325 867641223 /nfs/dbraw/zinc/64/12/23/867641223.db2.gz CUFWRURSNYAKJB-PKOBYXMFSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001325763354 868335572 /nfs/dbraw/zinc/33/55/72/868335572.db2.gz SRPUAXWQAOCCQA-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001325763354 868335588 /nfs/dbraw/zinc/33/55/88/868335588.db2.gz SRPUAXWQAOCCQA-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001325763354 868335607 /nfs/dbraw/zinc/33/56/07/868335607.db2.gz SRPUAXWQAOCCQA-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001226170372 882248132 /nfs/dbraw/zinc/24/81/32/882248132.db2.gz JIZQRDJEEXBNEB-ZACQAIPSSA-N 2 1 305.466 1.900 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC001336785526 869140328 /nfs/dbraw/zinc/14/03/28/869140328.db2.gz PXOLSAKXDKXANU-UHFFFAOYSA-N 2 1 300.406 1.488 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001164501119 869236731 /nfs/dbraw/zinc/23/67/31/869236731.db2.gz SLOGKRQJYLCKFH-KRWDZBQOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001165920190 869765420 /nfs/dbraw/zinc/76/54/20/869765420.db2.gz RHVZFCQIKNEUCX-MRXNPFEDSA-N 2 1 305.466 1.616 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317082059 870216835 /nfs/dbraw/zinc/21/68/35/870216835.db2.gz INBAAEDEHFDEHU-BFYDXBDKSA-N 2 1 303.450 1.654 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203729521 870728036 /nfs/dbraw/zinc/72/80/36/870728036.db2.gz HALNXCPLBLPECA-CABCVRRESA-N 2 1 302.422 1.785 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798578 870764997 /nfs/dbraw/zinc/76/49/97/870764997.db2.gz ZFHSSVXZIBWNHS-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798578 870765010 /nfs/dbraw/zinc/76/50/10/870765010.db2.gz ZFHSSVXZIBWNHS-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001317427521 870811568 /nfs/dbraw/zinc/81/15/68/870811568.db2.gz MNRCEEBGDGLBKU-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001317427521 870811582 /nfs/dbraw/zinc/81/15/82/870811582.db2.gz MNRCEEBGDGLBKU-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001317554387 871066117 /nfs/dbraw/zinc/06/61/17/871066117.db2.gz VCYGHPCFWXTCOR-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001317554387 871066132 /nfs/dbraw/zinc/06/61/32/871066132.db2.gz VCYGHPCFWXTCOR-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001317554387 871066144 /nfs/dbraw/zinc/06/61/44/871066144.db2.gz VCYGHPCFWXTCOR-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001317554387 871066153 /nfs/dbraw/zinc/06/61/53/871066153.db2.gz VCYGHPCFWXTCOR-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284797 871485021 /nfs/dbraw/zinc/48/50/21/871485021.db2.gz QNQRAIVCJCDSCS-QZTJIDSGSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317970485 871661729 /nfs/dbraw/zinc/66/17/29/871661729.db2.gz CWZKNIOJNYPMSN-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001206031946 872006208 /nfs/dbraw/zinc/00/62/08/872006208.db2.gz ZLAJOSMSTCVJSH-QGZVFWFLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001206031946 872006229 /nfs/dbraw/zinc/00/62/29/872006229.db2.gz ZLAJOSMSTCVJSH-QGZVFWFLSA-N 2 1 323.481 1.500 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC#CCOC ZINC001316882737 872199734 /nfs/dbraw/zinc/19/97/34/872199734.db2.gz UUEZYWFDGHNAFS-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCC1 ZINC001319387174 872605902 /nfs/dbraw/zinc/60/59/02/872605902.db2.gz VZYTUUOHPSMIJW-KRWDZBQOSA-N 2 1 303.450 1.514 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC#C)C1CCCCC1 ZINC001319654107 872738244 /nfs/dbraw/zinc/73/82/44/872738244.db2.gz CBMXRDRFCXAOOV-MSOLQXFVSA-N 2 1 315.461 1.372 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC#C)C1CCCCC1 ZINC001319654107 872738257 /nfs/dbraw/zinc/73/82/57/872738257.db2.gz CBMXRDRFCXAOOV-MSOLQXFVSA-N 2 1 315.461 1.372 20 30 DDEDMP N#Cc1cccnc1NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001207868672 873626647 /nfs/dbraw/zinc/62/66/47/873626647.db2.gz FVZMUTCPCSLJGT-MRXNPFEDSA-N 2 1 315.421 1.208 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208738406 874432704 /nfs/dbraw/zinc/43/27/04/874432704.db2.gz CSTSSJWGMANTKZ-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001378306751 874659373 /nfs/dbraw/zinc/65/93/73/874659373.db2.gz VVEBMUJWAWUXER-DLBZAZTESA-N 2 1 314.433 1.637 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209150696 874694731 /nfs/dbraw/zinc/69/47/31/874694731.db2.gz VBGKUSZFUZUFGC-NVXWUHKLSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC001276622959 874716161 /nfs/dbraw/zinc/71/61/61/874716161.db2.gz CDNYKSVTUQXNSX-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC001276622959 874716168 /nfs/dbraw/zinc/71/61/68/874716168.db2.gz CDNYKSVTUQXNSX-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC001276622959 874716177 /nfs/dbraw/zinc/71/61/77/874716177.db2.gz CDNYKSVTUQXNSX-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC001276622959 874716182 /nfs/dbraw/zinc/71/61/82/874716182.db2.gz CDNYKSVTUQXNSX-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211366401 875772421 /nfs/dbraw/zinc/77/24/21/875772421.db2.gz BBZBYHWGNKPLEG-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213342448 875901279 /nfs/dbraw/zinc/90/12/79/875901279.db2.gz XWPJEDKMCNOXSR-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001213400018 875922571 /nfs/dbraw/zinc/92/25/71/875922571.db2.gz WMTQGTSHXSHUKG-BZUAXINKSA-N 2 1 311.470 1.354 20 30 DDEDMP C#CCN(C(=O)NC[C@@H]1CCCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC001351666101 876371864 /nfs/dbraw/zinc/37/18/64/876371864.db2.gz JKKJQXCZQLWJHZ-INIZCTEOSA-N 2 1 306.454 1.210 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214850226 876481930 /nfs/dbraw/zinc/48/19/30/876481930.db2.gz RCCMTSORLXXNAE-IXDOHACOSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001227525415 883057725 /nfs/dbraw/zinc/05/77/25/883057725.db2.gz VSMDSAUMRHSDJN-HZPDHXFCSA-N 2 1 320.437 1.411 20 30 DDEDMP C#CC[NH2+]CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001353821243 877589376 /nfs/dbraw/zinc/58/93/76/877589376.db2.gz UARYKWSIBYQEIY-SJLPKXTDSA-N 2 1 313.445 1.626 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072420 878690765 /nfs/dbraw/zinc/69/07/65/878690765.db2.gz VMTZIOAAMQFYJH-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222091932 880238196 /nfs/dbraw/zinc/23/81/96/880238196.db2.gz DZBFJNCUEDHAKU-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222091932 880238204 /nfs/dbraw/zinc/23/82/04/880238204.db2.gz DZBFJNCUEDHAKU-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP CSc1nc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)ccc1C#N ZINC001222502911 880519568 /nfs/dbraw/zinc/51/95/68/880519568.db2.gz WKQFQKPMPPWIDI-GJZGRUSLSA-N 2 1 317.462 1.201 20 30 DDEDMP N#Cc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(F)cc1F ZINC001222510711 880527461 /nfs/dbraw/zinc/52/74/61/880527461.db2.gz FIXYLCLQZRKXRA-HOTGVXAUSA-N 2 1 306.360 1.362 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001230315327 884427534 /nfs/dbraw/zinc/42/75/34/884427534.db2.gz MGNAGLVDBJTGSD-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230315327 884427544 /nfs/dbraw/zinc/42/75/44/884427544.db2.gz MGNAGLVDBJTGSD-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001277655017 886338231 /nfs/dbraw/zinc/33/82/31/886338231.db2.gz HOEUPLDEZMKGAR-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001277655630 886341240 /nfs/dbraw/zinc/34/12/40/886341240.db2.gz QQFJZTDFKHUCOK-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP Cn1c[nH+]cc1N1C[C@@H]2C[C@H]1C[N@@H+](Cc1cc(C#N)n(C)c1)C2 ZINC001277765908 886804665 /nfs/dbraw/zinc/80/46/65/886804665.db2.gz WQJJHXKQXAXGIG-ZBFHGGJFSA-N 2 1 310.405 1.341 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@H](Oc3ccccc3)C[C@H]2C1 ZINC001235609088 888800714 /nfs/dbraw/zinc/80/07/14/888800714.db2.gz KQNOWNUZXXPRPH-FUHWJXTLSA-N 2 1 301.434 1.600 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278147667 889855596 /nfs/dbraw/zinc/85/55/96/889855596.db2.gz KBKJYYAWWMOSLO-HDMKZQKVSA-N 2 1 316.449 1.213 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278147667 889855614 /nfs/dbraw/zinc/85/56/14/889855614.db2.gz KBKJYYAWWMOSLO-HDMKZQKVSA-N 2 1 316.449 1.213 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3C[C@@]3(C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278147667 889855626 /nfs/dbraw/zinc/85/56/26/889855626.db2.gz KBKJYYAWWMOSLO-HDMKZQKVSA-N 2 1 316.449 1.213 20 30 DDEDMP N#C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)CCN1 ZINC001246670406 892779625 /nfs/dbraw/zinc/77/96/25/892779625.db2.gz CIGSBRMUAXCBIG-WJFTUGDTSA-N 2 1 310.445 1.710 20 30 DDEDMP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001366586860 894156431 /nfs/dbraw/zinc/15/64/31/894156431.db2.gz YOFVTLBVLNVVRP-HNNXBMFYSA-N 2 1 322.478 1.754 20 30 DDEDMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001366586860 894156436 /nfs/dbraw/zinc/15/64/36/894156436.db2.gz YOFVTLBVLNVVRP-HNNXBMFYSA-N 2 1 322.478 1.754 20 30 DDEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001278693660 895615639 /nfs/dbraw/zinc/61/56/39/895615639.db2.gz PIBVSYJLUXDHAX-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001278693660 895615650 /nfs/dbraw/zinc/61/56/50/895615650.db2.gz PIBVSYJLUXDHAX-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001278693660 895615660 /nfs/dbraw/zinc/61/56/60/895615660.db2.gz PIBVSYJLUXDHAX-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001278693660 895615673 /nfs/dbraw/zinc/61/56/73/895615673.db2.gz PIBVSYJLUXDHAX-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C[C@H](O)C[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001253603683 895923645 /nfs/dbraw/zinc/92/36/45/895923645.db2.gz AGAGXNGTJQHNIX-AWEZNQCLSA-N 2 1 315.458 1.360 20 30 DDEDMP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278782197 896425261 /nfs/dbraw/zinc/42/52/61/896425261.db2.gz SPXQCYWFOARFCG-WMLDXEAASA-N 2 1 320.437 1.136 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278782197 896425270 /nfs/dbraw/zinc/42/52/70/896425270.db2.gz SPXQCYWFOARFCG-WMLDXEAASA-N 2 1 320.437 1.136 20 30 DDEDMP C[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254669811 896565586 /nfs/dbraw/zinc/56/55/86/896565586.db2.gz VIOFPNFYKAYCEF-HOCLYGCPSA-N 2 1 304.438 1.165 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@@H]21 ZINC001264029404 900881986 /nfs/dbraw/zinc/88/19/86/900881986.db2.gz CRLIKNJXGNTPHV-BZUAXINKSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001264393848 901082675 /nfs/dbraw/zinc/08/26/75/901082675.db2.gz OFEPHFFMFRJXMP-SOLBZPMBSA-N 2 1 317.477 1.901 20 30 DDEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001264482227 901142655 /nfs/dbraw/zinc/14/26/55/901142655.db2.gz DOEICXFDMGMKIZ-DLBZAZTESA-N 2 1 316.449 1.870 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]2[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001264586741 901197968 /nfs/dbraw/zinc/19/79/68/901197968.db2.gz TXLBOJGPGIHZSQ-DJIMGWMZSA-N 2 1 305.466 1.565 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001264586741 901197973 /nfs/dbraw/zinc/19/79/73/901197973.db2.gz TXLBOJGPGIHZSQ-DJIMGWMZSA-N 2 1 305.466 1.565 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@@H]21 ZINC001264586741 901197975 /nfs/dbraw/zinc/19/79/75/901197975.db2.gz TXLBOJGPGIHZSQ-DJIMGWMZSA-N 2 1 305.466 1.565 20 30 DDEDMP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC#CCOC)[NH+](C)C ZINC001279589293 903340022 /nfs/dbraw/zinc/34/00/22/903340022.db2.gz XJBFKFVMWPSXDY-BRWVUGGUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001280197890 903544046 /nfs/dbraw/zinc/54/40/46/903544046.db2.gz LFWCNPYIRZQKCX-QAPCUYQASA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001316609326 904635869 /nfs/dbraw/zinc/63/58/69/904635869.db2.gz KXHQEYPNAMATPY-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001281901566 905301192 /nfs/dbraw/zinc/30/11/92/905301192.db2.gz NNEMAAWRAQUDIZ-FGTMMUONSA-N 2 1 311.429 1.476 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001316621879 906017281 /nfs/dbraw/zinc/01/72/81/906017281.db2.gz UKLBRMCCXUGEEU-ZACQAIPSSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282782117 906032574 /nfs/dbraw/zinc/03/25/74/906032574.db2.gz PNTLLSAOOBSGSP-QGZVFWFLSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001374026510 911674845 /nfs/dbraw/zinc/67/48/45/911674845.db2.gz XMOKCAYPBYZOGW-FPMFFAJLSA-N 2 1 301.862 1.811 20 30 DDEDMP CC[C@@H]1C[NH+](CC#CC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000342130917 529385516 /nfs/dbraw/zinc/38/55/16/529385516.db2.gz PGJGAASPZFSJAP-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CC[C@@H]1C[N@H+](CC#CC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000342130917 529385518 /nfs/dbraw/zinc/38/55/18/529385518.db2.gz PGJGAASPZFSJAP-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP CC[C@@H]1C[N@@H+](CC#CC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000342130917 529385520 /nfs/dbraw/zinc/38/55/20/529385520.db2.gz PGJGAASPZFSJAP-HDICACEKSA-N 2 1 308.466 1.992 20 30 DDEDMP C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+](C)C1CC1 ZINC000083052331 353705025 /nfs/dbraw/zinc/70/50/25/353705025.db2.gz WBLVYVYPOLWDKE-SWLSCSKDSA-N 2 1 302.422 1.897 20 30 DDEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735062 354282363 /nfs/dbraw/zinc/28/23/63/354282363.db2.gz ACNIMEUWRCXKFE-OWCLPIDISA-N 2 1 320.481 1.990 20 30 DDEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735062 354282366 /nfs/dbraw/zinc/28/23/66/354282366.db2.gz ACNIMEUWRCXKFE-OWCLPIDISA-N 2 1 320.481 1.990 20 30 DDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600736704 358301952 /nfs/dbraw/zinc/30/19/52/358301952.db2.gz QGDAJCDSYJWJAR-JKSUJKDBSA-N 2 1 309.454 1.379 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602950148 359316691 /nfs/dbraw/zinc/31/66/91/359316691.db2.gz KHGKPDHYJFPIOE-UHFFFAOYSA-N 2 1 306.454 1.699 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000264090871 285203998 /nfs/dbraw/zinc/20/39/98/285203998.db2.gz LAVSVHIQSAKSKT-CQSZACIVSA-N 2 1 318.465 1.763 20 30 DDEDMP C[NH+](C)CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000121670798 195327149 /nfs/dbraw/zinc/32/71/49/195327149.db2.gz YYMXGWQZDTUZIC-KRWDZBQOSA-N 2 1 314.433 1.748 20 30 DDEDMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000123595513 407333775 /nfs/dbraw/zinc/33/37/75/407333775.db2.gz LGMSPFIIXRQZDG-UAGQMJEPSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000123595513 407333778 /nfs/dbraw/zinc/33/37/78/407333778.db2.gz LGMSPFIIXRQZDG-UAGQMJEPSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000123595513 407333779 /nfs/dbraw/zinc/33/37/79/407333779.db2.gz LGMSPFIIXRQZDG-UAGQMJEPSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000123595513 407333781 /nfs/dbraw/zinc/33/37/81/407333781.db2.gz LGMSPFIIXRQZDG-UAGQMJEPSA-N 2 1 317.433 1.712 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262696983 407905092 /nfs/dbraw/zinc/90/50/92/407905092.db2.gz IMZWJUDTSXMZFR-KRWDZBQOSA-N 2 1 316.449 1.557 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262696983 407905100 /nfs/dbraw/zinc/90/51/00/407905100.db2.gz IMZWJUDTSXMZFR-KRWDZBQOSA-N 2 1 316.449 1.557 20 30 DDEDMP CN(C(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000273353510 408166179 /nfs/dbraw/zinc/16/61/79/408166179.db2.gz QWZNQNXMCGHNGF-UHFFFAOYSA-N 2 1 315.465 1.343 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)N1 ZINC000284934244 409370991 /nfs/dbraw/zinc/37/09/91/409370991.db2.gz CTMUXGYYHAAZDV-NVXWUHKLSA-N 2 1 315.465 1.303 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)N1 ZINC000284934244 409370996 /nfs/dbraw/zinc/37/09/96/409370996.db2.gz CTMUXGYYHAAZDV-NVXWUHKLSA-N 2 1 315.465 1.303 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)N1 ZINC000284934244 409371004 /nfs/dbraw/zinc/37/10/04/409371004.db2.gz CTMUXGYYHAAZDV-NVXWUHKLSA-N 2 1 315.465 1.303 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000342179938 409563616 /nfs/dbraw/zinc/56/36/16/409563616.db2.gz YIYHVWMQXQLNFK-XLAORIBOSA-N 2 1 308.466 1.988 20 30 DDEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000342179938 409563625 /nfs/dbraw/zinc/56/36/25/409563625.db2.gz YIYHVWMQXQLNFK-XLAORIBOSA-N 2 1 308.466 1.988 20 30 DDEDMP CO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000342179938 409563634 /nfs/dbraw/zinc/56/36/34/409563634.db2.gz YIYHVWMQXQLNFK-XLAORIBOSA-N 2 1 308.466 1.988 20 30 DDEDMP CCCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304795443 409644659 /nfs/dbraw/zinc/64/46/59/409644659.db2.gz MJTCTSNPIRZRAC-UHFFFAOYSA-N 2 1 309.502 1.641 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CC[N@H+]1C ZINC000316810824 409858677 /nfs/dbraw/zinc/85/86/77/409858677.db2.gz PWBUKOAIBZCQQP-KBMXLJTQSA-N 2 1 303.406 1.370 20 30 DDEDMP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000358164155 410388055 /nfs/dbraw/zinc/38/80/55/410388055.db2.gz NFBJFUHYHDDPBW-KRWDZBQOSA-N 2 1 306.406 1.416 20 30 DDEDMP C=CCOc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000358164155 410388061 /nfs/dbraw/zinc/38/80/61/410388061.db2.gz NFBJFUHYHDDPBW-KRWDZBQOSA-N 2 1 306.406 1.416 20 30 DDEDMP C=C(C)COc1cc(CNC[C@]2(O)CC[N@@H+](C)C2)ccc1OC ZINC000358176603 410393743 /nfs/dbraw/zinc/39/37/43/410393743.db2.gz WWWWPKUPHSALHB-GOSISDBHSA-N 2 1 320.433 1.806 20 30 DDEDMP C=C(C)COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1OC ZINC000358176603 410393753 /nfs/dbraw/zinc/39/37/53/410393753.db2.gz WWWWPKUPHSALHB-GOSISDBHSA-N 2 1 320.433 1.806 20 30 DDEDMP C=C(C)COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1OC ZINC000358176603 410393761 /nfs/dbraw/zinc/39/37/61/410393761.db2.gz WWWWPKUPHSALHB-GOSISDBHSA-N 2 1 320.433 1.806 20 30 DDEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21 ZINC000360790513 418518573 /nfs/dbraw/zinc/51/85/73/418518573.db2.gz AWIIYVPJLLTMDF-VQHPVUNQSA-N 2 1 309.454 1.784 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)c1ccccc1 ZINC000264143646 222325055 /nfs/dbraw/zinc/32/50/55/222325055.db2.gz XGPRNAUANHKQAA-INIZCTEOSA-N 2 1 303.454 1.511 20 30 DDEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000264063364 222311075 /nfs/dbraw/zinc/31/10/75/222311075.db2.gz ABMMHRSXTODGSQ-AWEZNQCLSA-N 2 1 320.437 1.102 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000264067833 222312959 /nfs/dbraw/zinc/31/29/59/222312959.db2.gz FHNPEURWQUATKT-HNNXBMFYSA-N 2 1 304.438 1.626 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NC[C@]1([NH+](C)C)CCSC1 ZINC000267227781 222379138 /nfs/dbraw/zinc/37/91/38/222379138.db2.gz VXWCMQXWJQDGEN-MRXNPFEDSA-N 2 1 322.478 1.537 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000365548339 418874562 /nfs/dbraw/zinc/87/45/62/418874562.db2.gz PLOVKJADOGKINR-OKZBNKHCSA-N 2 1 315.461 1.274 20 30 DDEDMP C=CC[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000519612000 421707711 /nfs/dbraw/zinc/70/77/11/421707711.db2.gz LHEZNLKFQYOLLB-INIZCTEOSA-N 2 1 323.481 1.236 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H](C)C#N)CC2)CC1 ZINC000557524438 421774475 /nfs/dbraw/zinc/77/44/75/421774475.db2.gz GLDMHFLZMADHPK-OAHLLOKOSA-N 2 1 320.481 1.801 20 30 DDEDMP CC(C)(O)[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1C(C)(C)O ZINC000351181616 277319240 /nfs/dbraw/zinc/31/92/40/277319240.db2.gz IXVKSACDBVNVPE-IYBDPMFKSA-N 2 1 308.466 1.460 20 30 DDEDMP CC(C)(O)[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000351181616 277319241 /nfs/dbraw/zinc/31/92/41/277319241.db2.gz IXVKSACDBVNVPE-IYBDPMFKSA-N 2 1 308.466 1.460 20 30 DDEDMP CC(C)(O)[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000351181616 277319242 /nfs/dbraw/zinc/31/92/42/277319242.db2.gz IXVKSACDBVNVPE-IYBDPMFKSA-N 2 1 308.466 1.460 20 30 DDEDMP CCC#C[C@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000677479928 486477750 /nfs/dbraw/zinc/47/77/50/486477750.db2.gz RLJHOXPSBFJPDQ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)c1 ZINC000424137844 534707527 /nfs/dbraw/zinc/70/75/27/534707527.db2.gz PKOPLXIZHHLMNH-KRWDZBQOSA-N 2 1 314.433 1.660 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000341095114 526595813 /nfs/dbraw/zinc/59/58/13/526595813.db2.gz UFTOXHSXCPTZKG-HOCLYGCPSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000491496476 526940233 /nfs/dbraw/zinc/94/02/33/526940233.db2.gz QPDBIZXIPDEDCW-RHSMWYFYSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000491496476 526940238 /nfs/dbraw/zinc/94/02/38/526940238.db2.gz QPDBIZXIPDEDCW-RHSMWYFYSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491496476 526940241 /nfs/dbraw/zinc/94/02/41/526940241.db2.gz QPDBIZXIPDEDCW-RHSMWYFYSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491496476 526940245 /nfs/dbraw/zinc/94/02/45/526940245.db2.gz QPDBIZXIPDEDCW-RHSMWYFYSA-N 2 1 310.413 1.840 20 30 DDEDMP C#C[C@@H](C)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491624549 527198526 /nfs/dbraw/zinc/19/85/26/527198526.db2.gz KQPVJERHOIOEFO-OAHLLOKOSA-N 2 1 305.466 1.663 20 30 DDEDMP CCC(CC)[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424142618 528853608 /nfs/dbraw/zinc/85/36/08/528853608.db2.gz YNHZIHQIBUZTHN-HOTGVXAUSA-N 2 1 324.469 1.261 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956660 695766848 /nfs/dbraw/zinc/76/68/48/695766848.db2.gz QXOIVXQDRJKOBP-HOCLYGCPSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C(C)(C)C1 ZINC000974956660 695766849 /nfs/dbraw/zinc/76/68/49/695766849.db2.gz QXOIVXQDRJKOBP-HOCLYGCPSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977427698 696157873 /nfs/dbraw/zinc/15/78/73/696157873.db2.gz NTEBQVCFGXQFSZ-MRXNPFEDSA-N 2 1 305.466 1.567 20 30 DDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083096613 696550562 /nfs/dbraw/zinc/55/05/62/696550562.db2.gz HTEHLXITAQPYDZ-ZDUSSCGKSA-N 2 1 316.405 1.317 20 30 DDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083096613 696550565 /nfs/dbraw/zinc/55/05/65/696550565.db2.gz HTEHLXITAQPYDZ-ZDUSSCGKSA-N 2 1 316.405 1.317 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980173051 696699557 /nfs/dbraw/zinc/69/95/57/696699557.db2.gz DRBYWDXWNKBJOQ-GVDBMIGSSA-N 2 1 303.450 1.178 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000153634164 696919581 /nfs/dbraw/zinc/91/95/81/696919581.db2.gz LWWHNBRYDWQWOX-LSDHHAIUSA-N 2 1 322.497 1.862 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981802565 696922197 /nfs/dbraw/zinc/92/21/97/696922197.db2.gz IZNOBOIHJHTJND-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981802565 696922201 /nfs/dbraw/zinc/92/22/01/696922201.db2.gz IZNOBOIHJHTJND-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981802565 696922205 /nfs/dbraw/zinc/92/22/05/696922205.db2.gz IZNOBOIHJHTJND-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000981810651 696925800 /nfs/dbraw/zinc/92/58/00/696925800.db2.gz WPGOKXTYTIQLDK-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981810651 696925804 /nfs/dbraw/zinc/92/58/04/696925804.db2.gz WPGOKXTYTIQLDK-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC000981810651 696925807 /nfs/dbraw/zinc/92/58/07/696925807.db2.gz WPGOKXTYTIQLDK-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC000981819090 696930074 /nfs/dbraw/zinc/93/00/74/696930074.db2.gz NIMDCKGEYPEKBK-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC000981819090 696930076 /nfs/dbraw/zinc/93/00/76/696930076.db2.gz NIMDCKGEYPEKBK-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC000981819090 696930081 /nfs/dbraw/zinc/93/00/81/696930081.db2.gz NIMDCKGEYPEKBK-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC#C)C2)C1 ZINC000981819090 696930083 /nfs/dbraw/zinc/93/00/83/696930083.db2.gz NIMDCKGEYPEKBK-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981153359 697019855 /nfs/dbraw/zinc/01/98/55/697019855.db2.gz XZFOSJDDNLTVOO-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153359 697019858 /nfs/dbraw/zinc/01/98/58/697019858.db2.gz XZFOSJDDNLTVOO-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981153359 697019861 /nfs/dbraw/zinc/01/98/61/697019861.db2.gz XZFOSJDDNLTVOO-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@H](C)CC)CC1 ZINC000981361281 697075599 /nfs/dbraw/zinc/07/55/99/697075599.db2.gz CMFFLCJBSRODBR-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC000981361281 697075601 /nfs/dbraw/zinc/07/56/01/697075601.db2.gz CMFFLCJBSRODBR-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)CC)CC1 ZINC000981361281 697075604 /nfs/dbraw/zinc/07/56/04/697075604.db2.gz CMFFLCJBSRODBR-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@H](C)CC)CC1 ZINC000981361281 697075605 /nfs/dbraw/zinc/07/56/05/697075605.db2.gz CMFFLCJBSRODBR-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308051 697089529 /nfs/dbraw/zinc/08/95/29/697089529.db2.gz MARCJRBFHCTDHG-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308051 697089531 /nfs/dbraw/zinc/08/95/31/697089531.db2.gz MARCJRBFHCTDHG-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308051 697089532 /nfs/dbraw/zinc/08/95/32/697089532.db2.gz MARCJRBFHCTDHG-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982511295 697142625 /nfs/dbraw/zinc/14/26/25/697142625.db2.gz BLCUADDTBAXHRJ-HDICACEKSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000985438096 697511345 /nfs/dbraw/zinc/51/13/45/697511345.db2.gz KVDDYBBJEKAFFG-OAHLLOKOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000985438096 697511346 /nfs/dbraw/zinc/51/13/46/697511346.db2.gz KVDDYBBJEKAFFG-OAHLLOKOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000985473760 697517015 /nfs/dbraw/zinc/51/70/15/697517015.db2.gz LYMCTFMUKLQGPH-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985473760 697517016 /nfs/dbraw/zinc/51/70/16/697517016.db2.gz LYMCTFMUKLQGPH-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985473760 697517017 /nfs/dbraw/zinc/51/70/17/697517017.db2.gz LYMCTFMUKLQGPH-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000303875239 698608206 /nfs/dbraw/zinc/60/82/06/698608206.db2.gz HNFKGQDBDKVBRG-CVEARBPZSA-N 2 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000303875239 698608212 /nfs/dbraw/zinc/60/82/12/698608212.db2.gz HNFKGQDBDKVBRG-CVEARBPZSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000303875239 698608215 /nfs/dbraw/zinc/60/82/15/698608215.db2.gz HNFKGQDBDKVBRG-CVEARBPZSA-N 3 1 309.502 1.495 20 30 DDEDMP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303874727 698608471 /nfs/dbraw/zinc/60/84/71/698608471.db2.gz HGSKHZTUNFCKMR-AWEZNQCLSA-N 2 1 318.490 1.797 20 30 DDEDMP C[C@@H](CNC(=[NH2+])N1CCSCC1)[N@H+]1CCc2ccccc2C1 ZINC000303874727 698608474 /nfs/dbraw/zinc/60/84/74/698608474.db2.gz HGSKHZTUNFCKMR-AWEZNQCLSA-N 2 1 318.490 1.797 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOCC(F)(F)F ZINC000303908696 698611301 /nfs/dbraw/zinc/61/13/01/698611301.db2.gz XTTLFFGLDDVYAC-LLVKDONJSA-N 2 1 310.364 1.344 20 30 DDEDMP COc1ccc(CCNC(=[NH2+])NCC[N@@H+](C)C(C)C)cc1OC ZINC000303975792 698612057 /nfs/dbraw/zinc/61/20/57/698612057.db2.gz JLTGFONPFVRFET-UHFFFAOYSA-N 2 1 322.453 1.491 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1sc(C)nc1C ZINC000304751229 698624260 /nfs/dbraw/zinc/62/42/60/698624260.db2.gz IZWCEIXTHZVJCS-CYBMUJFWSA-N 2 1 309.483 1.691 20 30 DDEDMP CN(C(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000305821237 698658210 /nfs/dbraw/zinc/65/82/10/698658210.db2.gz OWOTZUNKJUGHPL-UHFFFAOYSA-N 2 1 302.422 1.428 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730277840 699505878 /nfs/dbraw/zinc/50/58/78/699505878.db2.gz DDADJUPQACOBAL-XDNAFOTISA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730277840 699505879 /nfs/dbraw/zinc/50/58/79/699505879.db2.gz DDADJUPQACOBAL-XDNAFOTISA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730277840 699505881 /nfs/dbraw/zinc/50/58/81/699505881.db2.gz DDADJUPQACOBAL-XDNAFOTISA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000730277840 699505883 /nfs/dbraw/zinc/50/58/83/699505883.db2.gz DDADJUPQACOBAL-XDNAFOTISA-N 2 1 317.477 1.948 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000879579467 706726171 /nfs/dbraw/zinc/72/61/71/706726171.db2.gz MLZLHABWVQMTJB-ZACQAIPSSA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000879579467 706726173 /nfs/dbraw/zinc/72/61/73/706726173.db2.gz MLZLHABWVQMTJB-ZACQAIPSSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000879579467 706726175 /nfs/dbraw/zinc/72/61/75/706726175.db2.gz MLZLHABWVQMTJB-ZACQAIPSSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3C#N)CC[C@@H]21 ZINC000879579467 706726177 /nfs/dbraw/zinc/72/61/77/706726177.db2.gz MLZLHABWVQMTJB-ZACQAIPSSA-N 2 1 315.417 1.324 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3=NO[C@@H](C)C3)CC2)CC1 ZINC000847624747 703445199 /nfs/dbraw/zinc/44/51/99/703445199.db2.gz XBLJEMJRQSOHBS-ZDUSSCGKSA-N 2 1 322.453 1.421 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000869801106 703854979 /nfs/dbraw/zinc/85/49/79/703854979.db2.gz OGQPXKXLQLTXJA-MAUKXSAKSA-N 2 1 315.461 1.989 20 30 DDEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852861780 704151981 /nfs/dbraw/zinc/15/19/81/704151981.db2.gz JMRIWFPCMDZAHO-OAHLLOKOSA-N 2 1 305.466 1.616 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876882990 705906868 /nfs/dbraw/zinc/90/68/68/705906868.db2.gz XDTHSWBUFWZBKZ-FRRDWIJNSA-N 2 1 303.834 1.024 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876882990 705906873 /nfs/dbraw/zinc/90/68/73/705906873.db2.gz XDTHSWBUFWZBKZ-FRRDWIJNSA-N 2 1 303.834 1.024 20 30 DDEDMP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000880475916 706985536 /nfs/dbraw/zinc/98/55/36/706985536.db2.gz JNTPPYAQOJERNQ-MRXNPFEDSA-N 2 1 321.465 1.618 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000884153946 708163031 /nfs/dbraw/zinc/16/30/31/708163031.db2.gz VWOBBRMXWXNUOE-HOTGVXAUSA-N 2 1 322.497 1.750 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000884153946 708163033 /nfs/dbraw/zinc/16/30/33/708163033.db2.gz VWOBBRMXWXNUOE-HOTGVXAUSA-N 2 1 322.497 1.750 20 30 DDEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CCCCC1 ZINC000884189252 708179497 /nfs/dbraw/zinc/17/94/97/708179497.db2.gz AJHROWXZPDCJPO-SWKXRBFHSA-N 2 1 318.465 1.506 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000887639904 709088616 /nfs/dbraw/zinc/08/86/16/709088616.db2.gz GXDRONPFNDOKFO-MRXNPFEDSA-N 2 1 306.454 1.259 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000887639904 709088620 /nfs/dbraw/zinc/08/86/20/709088620.db2.gz GXDRONPFNDOKFO-MRXNPFEDSA-N 2 1 306.454 1.259 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000890367868 709841303 /nfs/dbraw/zinc/84/13/03/709841303.db2.gz WSQYOMSPZGAMJJ-WBVHZDCISA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000890367868 709841308 /nfs/dbraw/zinc/84/13/08/709841308.db2.gz WSQYOMSPZGAMJJ-WBVHZDCISA-N 2 1 320.481 1.456 20 30 DDEDMP C#CCn1ccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)n1 ZINC000894109253 710971364 /nfs/dbraw/zinc/97/13/64/710971364.db2.gz LLNKKXWPNBYMFO-UHFFFAOYSA-N 2 1 304.438 1.307 20 30 DDEDMP C#CCn1ccc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)n1 ZINC000894109253 710971368 /nfs/dbraw/zinc/97/13/68/710971368.db2.gz LLNKKXWPNBYMFO-UHFFFAOYSA-N 2 1 304.438 1.307 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000915663643 713426824 /nfs/dbraw/zinc/42/68/24/713426824.db2.gz SXCSQBFEQFXPHM-AWEZNQCLSA-N 2 1 317.437 1.224 20 30 DDEDMP C#CCN(C(=O)N[C@H]1C[N@@H+](CC)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000921407025 713758908 /nfs/dbraw/zinc/75/89/08/713758908.db2.gz SKJPNEWNTIRTPV-HOCLYGCPSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CCN(C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C1CC[NH+](C)CC1 ZINC000921877665 713894562 /nfs/dbraw/zinc/89/45/62/713894562.db2.gz DYSRXPMHXBBLGZ-HNNXBMFYSA-N 2 1 318.465 1.376 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](CC)CCC)CC1 ZINC000922548220 714085399 /nfs/dbraw/zinc/08/53/99/714085399.db2.gz XFWWTSCSVZOAPE-OAHLLOKOSA-N 2 1 308.470 1.504 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923367319 714329541 /nfs/dbraw/zinc/32/95/41/714329541.db2.gz SMVMDZCQOHWIGS-AEFFLSMTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923367319 714329543 /nfs/dbraw/zinc/32/95/43/714329543.db2.gz SMVMDZCQOHWIGS-AEFFLSMTSA-N 2 1 315.417 1.373 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)C[C@]2(C)C1 ZINC000933740505 714660084 /nfs/dbraw/zinc/66/00/84/714660084.db2.gz PCXMLLMIVZCNHM-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)C[C@]2(C)C1 ZINC000933740505 714660087 /nfs/dbraw/zinc/66/00/87/714660087.db2.gz PCXMLLMIVZCNHM-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)C[C@]2(C)C1 ZINC000933740505 714660089 /nfs/dbraw/zinc/66/00/89/714660089.db2.gz PCXMLLMIVZCNHM-QAPCUYQASA-N 2 1 312.417 1.770 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957516790 715937391 /nfs/dbraw/zinc/93/73/91/715937391.db2.gz CQQXZWPXVUCNRS-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958554378 716618731 /nfs/dbraw/zinc/61/87/31/716618731.db2.gz DMOGMKZWOYUOCU-IAGOWNOFSA-N 2 1 323.481 1.092 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961261943 716887063 /nfs/dbraw/zinc/88/70/63/716887063.db2.gz NBAZZXQTHUHYIW-SJORKVTESA-N 2 1 315.461 1.276 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288577 716897230 /nfs/dbraw/zinc/89/72/30/716897230.db2.gz XTWXAOLLHAUWTB-SJORKVTESA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC=C)CC1(C)C ZINC000940807449 716969936 /nfs/dbraw/zinc/96/99/36/716969936.db2.gz PHHIVNXLEWQLIN-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCC=C)CC1(C)C ZINC000940807449 716969940 /nfs/dbraw/zinc/96/99/40/716969940.db2.gz PHHIVNXLEWQLIN-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)CC1(C)C ZINC000940807449 716969943 /nfs/dbraw/zinc/96/99/43/716969943.db2.gz PHHIVNXLEWQLIN-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCC=C)CC1(C)C ZINC000940807449 716969945 /nfs/dbraw/zinc/96/99/45/716969945.db2.gz PHHIVNXLEWQLIN-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)CC2(C)C)CC1 ZINC000941237397 717136708 /nfs/dbraw/zinc/13/67/08/717136708.db2.gz MSFYCVXPTUEAJX-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC000962394032 717435977 /nfs/dbraw/zinc/43/59/77/717435977.db2.gz CHILSDYCTPFZCA-LHHMISFZSA-N 2 1 303.450 1.485 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000962394032 717435984 /nfs/dbraw/zinc/43/59/84/717435984.db2.gz CHILSDYCTPFZCA-LHHMISFZSA-N 2 1 303.450 1.485 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000962394032 717435990 /nfs/dbraw/zinc/43/59/90/717435990.db2.gz CHILSDYCTPFZCA-LHHMISFZSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963412540 717780332 /nfs/dbraw/zinc/78/03/32/717780332.db2.gz BWMAIGVJDCWFSZ-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)[C@@H](C)C1 ZINC000944167976 718264871 /nfs/dbraw/zinc/26/48/71/718264871.db2.gz HFLZBSQAFBEZII-ZFWWWQNUSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944167976 718264874 /nfs/dbraw/zinc/26/48/74/718264874.db2.gz HFLZBSQAFBEZII-ZFWWWQNUSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944167976 718264876 /nfs/dbraw/zinc/26/48/76/718264876.db2.gz HFLZBSQAFBEZII-ZFWWWQNUSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946592749 718845664 /nfs/dbraw/zinc/84/56/64/718845664.db2.gz XAAAVLSBBJGQKJ-FGTMMUONSA-N 2 1 317.477 1.685 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473381 719176831 /nfs/dbraw/zinc/17/68/31/719176831.db2.gz LHJBJFJTUNZZIX-KBPBESRZSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473381 719176833 /nfs/dbraw/zinc/17/68/33/719176833.db2.gz LHJBJFJTUNZZIX-KBPBESRZSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@H](C)C2)CC1 ZINC000948071339 719349863 /nfs/dbraw/zinc/34/98/63/719349863.db2.gz XASKXTOTIFCVGY-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553563 719543811 /nfs/dbraw/zinc/54/38/11/719543811.db2.gz IRVHQVGBWGTFLX-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553563 719543815 /nfs/dbraw/zinc/54/38/15/719543815.db2.gz IRVHQVGBWGTFLX-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553563 719543818 /nfs/dbraw/zinc/54/38/18/719543818.db2.gz IRVHQVGBWGTFLX-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998033 719917453 /nfs/dbraw/zinc/91/74/53/719917453.db2.gz JHMAYASIYSVUGD-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244310 719971944 /nfs/dbraw/zinc/97/19/44/719971944.db2.gz AAVHNHCPRXTRSS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCN1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833129 720525394 /nfs/dbraw/zinc/52/53/94/720525394.db2.gz LYVJNPURNHBCKR-WMLDXEAASA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833129 720525395 /nfs/dbraw/zinc/52/53/95/720525395.db2.gz LYVJNPURNHBCKR-WMLDXEAASA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833129 720525398 /nfs/dbraw/zinc/52/53/98/720525398.db2.gz LYVJNPURNHBCKR-WMLDXEAASA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000950381233 720606309 /nfs/dbraw/zinc/60/63/09/720606309.db2.gz MVZKNEGAXNISEJ-WBVHZDCISA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420984 720755096 /nfs/dbraw/zinc/75/50/96/720755096.db2.gz UPUOGTJFLROSLT-GXTWGEPZSA-N 2 1 302.422 1.376 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001023557251 735308323 /nfs/dbraw/zinc/30/83/23/735308323.db2.gz VAJYUAYVSLLQEP-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557251 735308327 /nfs/dbraw/zinc/30/83/27/735308327.db2.gz VAJYUAYVSLLQEP-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023570030 735317075 /nfs/dbraw/zinc/31/70/75/735317075.db2.gz ZRORLTQKIIOITK-AWEZNQCLSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001023570030 735317078 /nfs/dbraw/zinc/31/70/78/735317078.db2.gz ZRORLTQKIIOITK-AWEZNQCLSA-N 2 1 313.873 1.909 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763560 735449543 /nfs/dbraw/zinc/44/95/43/735449543.db2.gz SKUYMNNTPXKPPX-INIZCTEOSA-N 2 1 313.445 1.823 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021053071 732918691 /nfs/dbraw/zinc/91/86/91/732918691.db2.gz HMZRMFNJVRUYPM-QAQDUYKDSA-N 2 1 323.400 1.500 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173971 733085818 /nfs/dbraw/zinc/08/58/18/733085818.db2.gz JUFHRQFJIIFQRK-WMZOPIPTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173971 733085821 /nfs/dbraw/zinc/08/58/21/733085821.db2.gz JUFHRQFJIIFQRK-WMZOPIPTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173971 733085826 /nfs/dbraw/zinc/08/58/26/733085826.db2.gz JUFHRQFJIIFQRK-WMZOPIPTSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021692516 733454692 /nfs/dbraw/zinc/45/46/92/733454692.db2.gz ULRCXCCBENWUPQ-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021692516 733454693 /nfs/dbraw/zinc/45/46/93/733454693.db2.gz ULRCXCCBENWUPQ-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355160 733707968 /nfs/dbraw/zinc/70/79/68/733707968.db2.gz PUSARAKDJGZWHM-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704590 735552978 /nfs/dbraw/zinc/55/29/78/735552978.db2.gz TXGRHNJINCGJEU-HKUYNNGSSA-N 2 1 313.445 1.629 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024522870 735898709 /nfs/dbraw/zinc/89/87/09/735898709.db2.gz KJBBJSNBHXETJA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024522870 735898710 /nfs/dbraw/zinc/89/87/10/735898710.db2.gz KJBBJSNBHXETJA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024522870 735898713 /nfs/dbraw/zinc/89/87/13/735898713.db2.gz KJBBJSNBHXETJA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024522870 735898715 /nfs/dbraw/zinc/89/87/15/735898715.db2.gz KJBBJSNBHXETJA-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100679934 735902509 /nfs/dbraw/zinc/90/25/09/735902509.db2.gz WIDUSYKYJHRSFA-JMLCCBQJSA-N 2 1 323.456 1.707 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001019772797 736920986 /nfs/dbraw/zinc/92/09/86/736920986.db2.gz RVBHELYYKAUDEU-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001026314945 737336703 /nfs/dbraw/zinc/33/67/03/737336703.db2.gz JTADOWMWJDEJRQ-RRFJBIMHSA-N 2 1 322.840 1.771 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001026529034 737641075 /nfs/dbraw/zinc/64/10/75/737641075.db2.gz IIPKHNBWRHNQIW-UHFFFAOYSA-N 2 1 314.433 1.412 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688570 742076806 /nfs/dbraw/zinc/07/68/06/742076806.db2.gz SDJQJRLYRAELIZ-PBHICJAKSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027430827 738286360 /nfs/dbraw/zinc/28/63/60/738286360.db2.gz ZBMOVINSDLALAA-OAHLLOKOSA-N 2 1 319.474 1.979 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343881 739378406 /nfs/dbraw/zinc/37/84/06/739378406.db2.gz SWQKFVPCPPOXJC-OAHLLOKOSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542348 739648175 /nfs/dbraw/zinc/64/81/75/739648175.db2.gz OHIUWLHRBQITFT-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542348 739648177 /nfs/dbraw/zinc/64/81/77/739648177.db2.gz OHIUWLHRBQITFT-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542348 739648179 /nfs/dbraw/zinc/64/81/79/739648179.db2.gz OHIUWLHRBQITFT-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587981 739703732 /nfs/dbraw/zinc/70/37/32/739703732.db2.gz UKTWQHQKFFFWIJ-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587981 739703734 /nfs/dbraw/zinc/70/37/34/739703734.db2.gz UKTWQHQKFFFWIJ-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028587981 739703735 /nfs/dbraw/zinc/70/37/35/739703735.db2.gz UKTWQHQKFFFWIJ-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710497 739941428 /nfs/dbraw/zinc/94/14/28/739941428.db2.gz OKZYPFRQUUAJQX-MRXNPFEDSA-N 2 1 313.445 1.476 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001035485220 751539019 /nfs/dbraw/zinc/53/90/19/751539019.db2.gz PENBAJMSRWUXEW-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035485220 751539020 /nfs/dbraw/zinc/53/90/20/751539020.db2.gz PENBAJMSRWUXEW-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035485220 751539021 /nfs/dbraw/zinc/53/90/21/751539021.db2.gz PENBAJMSRWUXEW-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035485220 751539022 /nfs/dbraw/zinc/53/90/22/751539022.db2.gz PENBAJMSRWUXEW-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1CC ZINC001037927145 751565671 /nfs/dbraw/zinc/56/56/71/751565671.db2.gz PFVOEDKTVGQVSD-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087702927 740714422 /nfs/dbraw/zinc/71/44/22/740714422.db2.gz BAPPECJRMDBUQM-BHYGNILZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087702927 740714426 /nfs/dbraw/zinc/71/44/26/740714426.db2.gz BAPPECJRMDBUQM-BHYGNILZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116292 741323864 /nfs/dbraw/zinc/32/38/64/741323864.db2.gz VLFYKTFYQGOUKE-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040116292 741323870 /nfs/dbraw/zinc/32/38/70/741323870.db2.gz VLFYKTFYQGOUKE-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040116292 741323874 /nfs/dbraw/zinc/32/38/74/741323874.db2.gz VLFYKTFYQGOUKE-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620858 742017266 /nfs/dbraw/zinc/01/72/66/742017266.db2.gz FJZPAEPMIGEJKN-QLFBSQMISA-N 2 1 302.422 1.916 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620858 742017270 /nfs/dbraw/zinc/01/72/70/742017270.db2.gz FJZPAEPMIGEJKN-QLFBSQMISA-N 2 1 302.422 1.916 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938926 742090127 /nfs/dbraw/zinc/09/01/27/742090127.db2.gz PFUGTDYREKEZBS-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938926 742090131 /nfs/dbraw/zinc/09/01/31/742090131.db2.gz PFUGTDYREKEZBS-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938926 742090136 /nfs/dbraw/zinc/09/01/36/742090136.db2.gz PFUGTDYREKEZBS-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938926 742090139 /nfs/dbraw/zinc/09/01/39/742090139.db2.gz PFUGTDYREKEZBS-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001075938926 742090142 /nfs/dbraw/zinc/09/01/42/742090142.db2.gz PFUGTDYREKEZBS-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320830 742186024 /nfs/dbraw/zinc/18/60/24/742186024.db2.gz RTNZTKUCTJUHBT-UHFFFAOYSA-N 2 1 301.862 1.955 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815287 742438799 /nfs/dbraw/zinc/43/87/99/742438799.db2.gz HVTRLURMKORPNP-IKGGRYGDSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815287 742438802 /nfs/dbraw/zinc/43/88/02/742438802.db2.gz HVTRLURMKORPNP-IKGGRYGDSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815287 742438803 /nfs/dbraw/zinc/43/88/03/742438803.db2.gz HVTRLURMKORPNP-IKGGRYGDSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815287 742438805 /nfs/dbraw/zinc/43/88/05/742438805.db2.gz HVTRLURMKORPNP-IKGGRYGDSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076322758 742666101 /nfs/dbraw/zinc/66/61/01/742666101.db2.gz CGPFLCBZONBSPT-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076322758 742666102 /nfs/dbraw/zinc/66/61/02/742666102.db2.gz CGPFLCBZONBSPT-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002137475 742890017 /nfs/dbraw/zinc/89/00/17/742890017.db2.gz ASWCDDWSSLMNIQ-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002137475 742890032 /nfs/dbraw/zinc/89/00/32/742890032.db2.gz ASWCDDWSSLMNIQ-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181941445 743401598 /nfs/dbraw/zinc/40/15/98/743401598.db2.gz IPZGQCKRXWLDGB-CRAIPNDOSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001016331053 743410964 /nfs/dbraw/zinc/41/09/64/743410964.db2.gz JBJWKONQRVSARH-YFUKIHRRSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCCC)C1 ZINC001183361492 743823480 /nfs/dbraw/zinc/82/34/80/743823480.db2.gz WYFXOTVWPXJYMH-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCCC)C1 ZINC001183361492 743823483 /nfs/dbraw/zinc/82/34/83/743823483.db2.gz WYFXOTVWPXJYMH-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030441442 744161226 /nfs/dbraw/zinc/16/12/26/744161226.db2.gz XJPMOGHKCCSWOO-INIZCTEOSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030441442 744161228 /nfs/dbraw/zinc/16/12/28/744161228.db2.gz XJPMOGHKCCSWOO-INIZCTEOSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185216925 744182038 /nfs/dbraw/zinc/18/20/38/744182038.db2.gz RUYZYPAAASGBLD-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171028 744658499 /nfs/dbraw/zinc/65/84/99/744658499.db2.gz KXESJGQEKIWUHD-APWZRJJASA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171028 744658502 /nfs/dbraw/zinc/65/85/02/744658502.db2.gz KXESJGQEKIWUHD-APWZRJJASA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171028 744658504 /nfs/dbraw/zinc/65/85/04/744658504.db2.gz KXESJGQEKIWUHD-APWZRJJASA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001030957220 744958101 /nfs/dbraw/zinc/95/81/01/744958101.db2.gz XZOQAVNMKRYHPM-QGZVFWFLSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001030957220 744958108 /nfs/dbraw/zinc/95/81/08/744958108.db2.gz XZOQAVNMKRYHPM-QGZVFWFLSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]34CC[NH+](C3)CCC4)[C@@H]2C1 ZINC001189961438 745064146 /nfs/dbraw/zinc/06/41/46/745064146.db2.gz CFAGGRWREZHODK-SCTDSRPQSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)[C@@H]2C1 ZINC001189961438 745064149 /nfs/dbraw/zinc/06/41/49/745064149.db2.gz CFAGGRWREZHODK-SCTDSRPQSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)[C@@H]2C1 ZINC001189961438 745064154 /nfs/dbraw/zinc/06/41/54/745064154.db2.gz CFAGGRWREZHODK-SCTDSRPQSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149648 745125781 /nfs/dbraw/zinc/12/57/81/745125781.db2.gz PRAGGHMGECUMJD-QBPKDAKJSA-N 2 1 323.481 1.213 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273780 746313368 /nfs/dbraw/zinc/31/33/68/746313368.db2.gz AFLPJTXZRCTBOS-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273780 746313374 /nfs/dbraw/zinc/31/33/74/746313374.db2.gz AFLPJTXZRCTBOS-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994167090 746470864 /nfs/dbraw/zinc/47/08/64/746470864.db2.gz LOTOEMOWWGMPJC-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046993443 746672800 /nfs/dbraw/zinc/67/28/00/746672800.db2.gz OAIVYLFUWBGZIJ-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993443 746672802 /nfs/dbraw/zinc/67/28/02/746672802.db2.gz OAIVYLFUWBGZIJ-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993443 746672805 /nfs/dbraw/zinc/67/28/05/746672805.db2.gz OAIVYLFUWBGZIJ-KGLIPLIRSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCF)[C@H]2C)CC1 ZINC000994505262 746699230 /nfs/dbraw/zinc/69/92/30/746699230.db2.gz ZGUSLIVGQBYYSE-DOTOQJQBSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001198259479 747432075 /nfs/dbraw/zinc/43/20/75/747432075.db2.gz MGJRTDWCDAIJOO-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198259479 747432082 /nfs/dbraw/zinc/43/20/82/747432082.db2.gz MGJRTDWCDAIJOO-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001198259479 747432085 /nfs/dbraw/zinc/43/20/85/747432085.db2.gz MGJRTDWCDAIJOO-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616257 747470307 /nfs/dbraw/zinc/47/03/07/747470307.db2.gz CZPAXXVPCSWFAT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616257 747470313 /nfs/dbraw/zinc/47/03/13/747470313.db2.gz CZPAXXVPCSWFAT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616257 747470319 /nfs/dbraw/zinc/47/03/19/747470319.db2.gz CZPAXXVPCSWFAT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1OC ZINC001198992537 747676435 /nfs/dbraw/zinc/67/64/35/747676435.db2.gz CEGSZSCEJXKISR-MRXNPFEDSA-N 2 1 319.449 1.968 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1OC ZINC001198992556 747676639 /nfs/dbraw/zinc/67/66/39/747676639.db2.gz CRPXTJVNDJVSFI-INIZCTEOSA-N 2 1 317.433 1.416 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1OC ZINC001198992556 747676642 /nfs/dbraw/zinc/67/66/42/747676642.db2.gz CRPXTJVNDJVSFI-INIZCTEOSA-N 2 1 317.433 1.416 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200688358 748311530 /nfs/dbraw/zinc/31/15/30/748311530.db2.gz NWDFAQSPEFXHKI-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805702 748350147 /nfs/dbraw/zinc/35/01/47/748350147.db2.gz MCRCMBGSXPWSOP-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200808029 748352601 /nfs/dbraw/zinc/35/26/01/748352601.db2.gz XZLROCGXRDACTL-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053163 748407820 /nfs/dbraw/zinc/40/78/20/748407820.db2.gz LNIGWPHMXWVGOS-GOSISDBHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001004452848 748440300 /nfs/dbraw/zinc/44/03/00/748440300.db2.gz UWMVRSZDPHDNGY-KBAYOESNSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004452848 748440306 /nfs/dbraw/zinc/44/03/06/748440306.db2.gz UWMVRSZDPHDNGY-KBAYOESNSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004452848 748440308 /nfs/dbraw/zinc/44/03/08/748440308.db2.gz UWMVRSZDPHDNGY-KBAYOESNSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201267069 748461538 /nfs/dbraw/zinc/46/15/38/748461538.db2.gz JPBBSAYBPUXLIC-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201557767 748544621 /nfs/dbraw/zinc/54/46/21/748544621.db2.gz KHZVJXVRRMYSFX-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032119150 748670944 /nfs/dbraw/zinc/67/09/44/748670944.db2.gz HBEBFNDGTSKEAC-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001110616631 748829886 /nfs/dbraw/zinc/82/98/86/748829886.db2.gz MATUYWMDTVJKBK-QXSJWSMHSA-N 2 1 311.445 1.964 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001039288811 761912999 /nfs/dbraw/zinc/91/29/99/761912999.db2.gz IHHGLEGGFLAILN-ZXFUBFMLSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995996203 749324920 /nfs/dbraw/zinc/32/49/20/749324920.db2.gz SNTBIKBYLQDWKW-JKSUJKDBSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426443 750046022 /nfs/dbraw/zinc/04/60/22/750046022.db2.gz TYRZYLYBKTZZEG-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668301 750124901 /nfs/dbraw/zinc/12/49/01/750124901.db2.gz NPQFGGSQLKGEMR-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668301 750124902 /nfs/dbraw/zinc/12/49/02/750124902.db2.gz NPQFGGSQLKGEMR-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668301 750124905 /nfs/dbraw/zinc/12/49/05/750124905.db2.gz NPQFGGSQLKGEMR-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668301 750124909 /nfs/dbraw/zinc/12/49/09/750124909.db2.gz NPQFGGSQLKGEMR-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668301 750124912 /nfs/dbraw/zinc/12/49/12/750124912.db2.gz NPQFGGSQLKGEMR-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997094065 750435888 /nfs/dbraw/zinc/43/58/88/750435888.db2.gz PDJILXUKEHDSMX-HYVNUMGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000997132667 750544552 /nfs/dbraw/zinc/54/45/52/750544552.db2.gz RLFWSHHFLPXCCN-UHFFFAOYSA-N 2 1 309.373 1.095 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=C)C)CC1 ZINC000997148827 750575705 /nfs/dbraw/zinc/57/57/05/750575705.db2.gz KJLHVAKLYIRMIG-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC(=C)C)CC1 ZINC000997148827 750575709 /nfs/dbraw/zinc/57/57/09/750575709.db2.gz KJLHVAKLYIRMIG-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098837003 750590166 /nfs/dbraw/zinc/59/01/66/750590166.db2.gz KKMWYWHOLAWYAJ-LNLFQRSKSA-N 2 1 315.461 1.322 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001114839431 751196590 /nfs/dbraw/zinc/19/65/90/751196590.db2.gz AISTZVLPSPIXDE-QLPKVWCKSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114839431 751196594 /nfs/dbraw/zinc/19/65/94/751196594.db2.gz AISTZVLPSPIXDE-QLPKVWCKSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC001114839431 751196596 /nfs/dbraw/zinc/19/65/96/751196596.db2.gz AISTZVLPSPIXDE-QLPKVWCKSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035245242 751327290 /nfs/dbraw/zinc/32/72/90/751327290.db2.gz BSXAJIKPMVAGJB-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035245242 751327296 /nfs/dbraw/zinc/32/72/96/751327296.db2.gz BSXAJIKPMVAGJB-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001035245242 751327301 /nfs/dbraw/zinc/32/73/01/751327301.db2.gz BSXAJIKPMVAGJB-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007972341 752472002 /nfs/dbraw/zinc/47/20/02/752472002.db2.gz MUFRNWASVFZPFN-OAHLLOKOSA-N 2 1 314.433 1.366 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007972341 752472007 /nfs/dbraw/zinc/47/20/07/752472007.db2.gz MUFRNWASVFZPFN-OAHLLOKOSA-N 2 1 314.433 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999391579 752887128 /nfs/dbraw/zinc/88/71/28/752887128.db2.gz LZJOAZRTVXHAQZ-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999391579 752887133 /nfs/dbraw/zinc/88/71/33/752887133.db2.gz LZJOAZRTVXHAQZ-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999728776 753106177 /nfs/dbraw/zinc/10/61/77/753106177.db2.gz UDLKUMPMDGKEEF-AWEZNQCLSA-N 2 1 302.422 1.529 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000777820 762191166 /nfs/dbraw/zinc/19/11/66/762191166.db2.gz QRJLRLQTKTVJES-OAHLLOKOSA-N 2 1 300.406 1.695 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000777820 762191170 /nfs/dbraw/zinc/19/11/70/762191170.db2.gz QRJLRLQTKTVJES-OAHLLOKOSA-N 2 1 300.406 1.695 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993397 753355902 /nfs/dbraw/zinc/35/59/02/753355902.db2.gz OYIKVRRGMGAZBT-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001006118680 753612070 /nfs/dbraw/zinc/61/20/70/753612070.db2.gz JMMDGLQCRZXPIS-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001079700760 755536158 /nfs/dbraw/zinc/53/61/58/755536158.db2.gz KHBGZFNWSJEXPE-JFIYKMOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226429 756238352 /nfs/dbraw/zinc/23/83/52/756238352.db2.gz BLVPEWQVDUXLIU-OKZBNKHCSA-N 2 1 311.429 1.156 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603209 756404301 /nfs/dbraw/zinc/40/43/01/756404301.db2.gz PFPVKNMJHWXRKC-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603209 756404302 /nfs/dbraw/zinc/40/43/02/756404302.db2.gz PFPVKNMJHWXRKC-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603209 756404307 /nfs/dbraw/zinc/40/43/07/756404307.db2.gz PFPVKNMJHWXRKC-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603209 756404310 /nfs/dbraw/zinc/40/43/10/756404310.db2.gz PFPVKNMJHWXRKC-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082201175 756674931 /nfs/dbraw/zinc/67/49/31/756674931.db2.gz NBTBFDIAPKLFRM-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001082559090 756853048 /nfs/dbraw/zinc/85/30/48/756853048.db2.gz SGAWSGFVPYEPKL-RBSFLKMASA-N 2 1 302.422 1.773 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001016253371 756871599 /nfs/dbraw/zinc/87/15/99/756871599.db2.gz FSQWXGJWVPJMKP-MSOLQXFVSA-N 2 1 311.429 1.180 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001016253371 756871605 /nfs/dbraw/zinc/87/16/05/756871605.db2.gz FSQWXGJWVPJMKP-MSOLQXFVSA-N 2 1 311.429 1.180 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001016253371 756871612 /nfs/dbraw/zinc/87/16/12/756871612.db2.gz FSQWXGJWVPJMKP-MSOLQXFVSA-N 2 1 311.429 1.180 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001016253371 756871621 /nfs/dbraw/zinc/87/16/21/756871621.db2.gz FSQWXGJWVPJMKP-MSOLQXFVSA-N 2 1 311.429 1.180 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016664921 757248588 /nfs/dbraw/zinc/24/85/88/757248588.db2.gz ZVBBIDBMGFPGRN-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001082389 762532987 /nfs/dbraw/zinc/53/29/87/762532987.db2.gz UAGZKLXYGLPWPX-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001082389 762532991 /nfs/dbraw/zinc/53/29/91/762532991.db2.gz UAGZKLXYGLPWPX-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001082389 762532994 /nfs/dbraw/zinc/53/29/94/762532994.db2.gz UAGZKLXYGLPWPX-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016733283 757305670 /nfs/dbraw/zinc/30/56/70/757305670.db2.gz JKLIUHSPKADDKP-HNNXBMFYSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016829752 757389217 /nfs/dbraw/zinc/38/92/17/757389217.db2.gz NLVLILAXBHOUEQ-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403319 757559219 /nfs/dbraw/zinc/55/92/19/757559219.db2.gz PKERDRLVLVWFSR-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403319 757559228 /nfs/dbraw/zinc/55/92/28/757559228.db2.gz PKERDRLVLVWFSR-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403319 757559236 /nfs/dbraw/zinc/55/92/36/757559236.db2.gz PKERDRLVLVWFSR-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC001090398698 757647588 /nfs/dbraw/zinc/64/75/88/757647588.db2.gz HJEDSGMEKVDDMJ-JKSUJKDBSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(=C)C)CC2)CC1 ZINC001052953727 758003202 /nfs/dbraw/zinc/00/32/02/758003202.db2.gz GUQICLAONJMWOK-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941660 758085442 /nfs/dbraw/zinc/08/54/42/758085442.db2.gz VZSRUGNLSVZPSP-SQNIBIBYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953389 758092439 /nfs/dbraw/zinc/09/24/39/758092439.db2.gz IXVQWWIKYUTZCP-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953389 758092451 /nfs/dbraw/zinc/09/24/51/758092451.db2.gz IXVQWWIKYUTZCP-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953389 758092464 /nfs/dbraw/zinc/09/24/64/758092464.db2.gz IXVQWWIKYUTZCP-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)C[C@@H]21 ZINC001084975782 758115370 /nfs/dbraw/zinc/11/53/70/758115370.db2.gz SVQLDXPIRLENCA-PMPSAXMXSA-N 2 1 314.433 1.554 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017848636 758295074 /nfs/dbraw/zinc/29/50/74/758295074.db2.gz DLHWHCQUXDBAHK-LUKYLMHMSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017848636 758295082 /nfs/dbraw/zinc/29/50/82/758295082.db2.gz DLHWHCQUXDBAHK-LUKYLMHMSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017848636 758295089 /nfs/dbraw/zinc/29/50/89/758295089.db2.gz DLHWHCQUXDBAHK-LUKYLMHMSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054144110 759219871 /nfs/dbraw/zinc/21/98/71/759219871.db2.gz QHIINGXWWDQUMW-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153440 759234850 /nfs/dbraw/zinc/23/48/50/759234850.db2.gz QXVSCSCXMOZANS-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153440 759234853 /nfs/dbraw/zinc/23/48/53/759234853.db2.gz QXVSCSCXMOZANS-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153440 759234859 /nfs/dbraw/zinc/23/48/59/759234859.db2.gz QXVSCSCXMOZANS-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054241296 759333790 /nfs/dbraw/zinc/33/37/90/759333790.db2.gz PCMZQXNVCBAXPT-GOSISDBHSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001098385617 759637162 /nfs/dbraw/zinc/63/71/62/759637162.db2.gz BDBWKIXCEWONBJ-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001098385617 759637168 /nfs/dbraw/zinc/63/71/68/759637168.db2.gz BDBWKIXCEWONBJ-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001098385617 759637175 /nfs/dbraw/zinc/63/71/75/759637175.db2.gz BDBWKIXCEWONBJ-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982500 760655351 /nfs/dbraw/zinc/65/53/51/760655351.db2.gz MAMCJJJYGZIELR-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982500 760655355 /nfs/dbraw/zinc/65/53/55/760655355.db2.gz MAMCJJJYGZIELR-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982500 760655360 /nfs/dbraw/zinc/65/53/60/760655360.db2.gz MAMCJJJYGZIELR-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982500 760655365 /nfs/dbraw/zinc/65/53/65/760655365.db2.gz MAMCJJJYGZIELR-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC=C(C)C)C2)CC1 ZINC001046850630 767983593 /nfs/dbraw/zinc/98/35/93/767983593.db2.gz YRGQTHAIFBUIHM-LJQANCHMSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038348353 761036971 /nfs/dbraw/zinc/03/69/71/761036971.db2.gz BXQODQIOWAAVFU-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038348353 761036977 /nfs/dbraw/zinc/03/69/77/761036977.db2.gz BXQODQIOWAAVFU-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348353 761036982 /nfs/dbraw/zinc/03/69/82/761036982.db2.gz BXQODQIOWAAVFU-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038348353 761036987 /nfs/dbraw/zinc/03/69/87/761036987.db2.gz BXQODQIOWAAVFU-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001000104534 761512253 /nfs/dbraw/zinc/51/22/53/761512253.db2.gz JIHFEKQPWQZXFA-INIZCTEOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086389576 761529938 /nfs/dbraw/zinc/52/99/38/761529938.db2.gz RJVQTZNLOKBVLB-BZSNNMDCSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001086389576 761529942 /nfs/dbraw/zinc/52/99/42/761529942.db2.gz RJVQTZNLOKBVLB-BZSNNMDCSA-N 2 1 317.477 1.759 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000198003 761569711 /nfs/dbraw/zinc/56/97/11/761569711.db2.gz JWMSYFHJRDVJEU-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086476229 761680748 /nfs/dbraw/zinc/68/07/48/761680748.db2.gz DDOACDSQXISBOF-RBSFLKMASA-N 2 1 302.422 1.424 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163919 761790936 /nfs/dbraw/zinc/79/09/36/761790936.db2.gz GAJRRDNKPQYVIR-AEFFLSMTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163919 761790941 /nfs/dbraw/zinc/79/09/41/761790941.db2.gz GAJRRDNKPQYVIR-AEFFLSMTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001039163919 761790945 /nfs/dbraw/zinc/79/09/45/761790945.db2.gz GAJRRDNKPQYVIR-AEFFLSMTSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041168601 762853063 /nfs/dbraw/zinc/85/30/63/762853063.db2.gz WQSUNEFTIHDNJQ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041168601 762853071 /nfs/dbraw/zinc/85/30/71/762853071.db2.gz WQSUNEFTIHDNJQ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041168601 762853075 /nfs/dbraw/zinc/85/30/75/762853075.db2.gz WQSUNEFTIHDNJQ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001041168601 762853080 /nfs/dbraw/zinc/85/30/80/762853080.db2.gz WQSUNEFTIHDNJQ-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288273 762936145 /nfs/dbraw/zinc/93/61/45/762936145.db2.gz VHWJJCPWTGRLTI-IEBWSBKVSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041299024 762943873 /nfs/dbraw/zinc/94/38/73/762943873.db2.gz CQBLWHWQLDBNQR-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041299024 762943880 /nfs/dbraw/zinc/94/38/80/762943880.db2.gz CQBLWHWQLDBNQR-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041299024 762943885 /nfs/dbraw/zinc/94/38/85/762943885.db2.gz CQBLWHWQLDBNQR-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048031 763061241 /nfs/dbraw/zinc/06/12/41/763061241.db2.gz ZPBVODZJKJUXHS-OKZBNKHCSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067763 763084255 /nfs/dbraw/zinc/08/42/55/763084255.db2.gz RIXNEZZHEUCQOW-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067763 763084261 /nfs/dbraw/zinc/08/42/61/763084261.db2.gz RIXNEZZHEUCQOW-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067763 763084270 /nfs/dbraw/zinc/08/42/70/763084270.db2.gz RIXNEZZHEUCQOW-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001050171905 763258937 /nfs/dbraw/zinc/25/89/37/763258937.db2.gz AJNDOJXGWWYYPL-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183469 763278827 /nfs/dbraw/zinc/27/88/27/763278827.db2.gz BQRPVBGXZSKICD-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183469 763278830 /nfs/dbraw/zinc/27/88/30/763278830.db2.gz BQRPVBGXZSKICD-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183469 763278839 /nfs/dbraw/zinc/27/88/39/763278839.db2.gz BQRPVBGXZSKICD-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844152 763400086 /nfs/dbraw/zinc/40/00/86/763400086.db2.gz DRWJJMRUUSOITJ-LJQANCHMSA-N 2 1 317.477 1.810 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)CC1 ZINC001050519872 763698392 /nfs/dbraw/zinc/69/83/92/763698392.db2.gz LKJGPKOGLUTEHY-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524397 763706285 /nfs/dbraw/zinc/70/62/85/763706285.db2.gz ANXAGJDRWYMGBP-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042287392 763862820 /nfs/dbraw/zinc/86/28/20/763862820.db2.gz ILRNNYBKILENRV-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753905 764002928 /nfs/dbraw/zinc/00/29/28/764002928.db2.gz IGNMUIHQVDHEHN-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043462595 764918830 /nfs/dbraw/zinc/91/88/30/764918830.db2.gz BOBYUUPDZOCHAT-QGZVFWFLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131683552 768260563 /nfs/dbraw/zinc/26/05/63/768260563.db2.gz ZGWMCIUIEBKJML-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131691957 768274980 /nfs/dbraw/zinc/27/49/80/768274980.db2.gz BTPLAGBLWMJRPT-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001113265834 765503579 /nfs/dbraw/zinc/50/35/79/765503579.db2.gz CFBQSYKPKYLXLQ-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045686667 766504718 /nfs/dbraw/zinc/50/47/18/766504718.db2.gz ROJSDPBDUIFTMS-CVEARBPZSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046470146 767604647 /nfs/dbraw/zinc/60/46/47/767604647.db2.gz GJFUDJCHDYMPLA-QGZVFWFLSA-N 2 1 311.389 1.648 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104875 767644048 /nfs/dbraw/zinc/64/40/48/767644048.db2.gz REANEBRXFVHQOD-OWSLCNJRSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104875 767644051 /nfs/dbraw/zinc/64/40/51/767644051.db2.gz REANEBRXFVHQOD-OWSLCNJRSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096104875 767644054 /nfs/dbraw/zinc/64/40/54/767644054.db2.gz REANEBRXFVHQOD-OWSLCNJRSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096104875 767644060 /nfs/dbraw/zinc/64/40/60/767644060.db2.gz REANEBRXFVHQOD-OWSLCNJRSA-N 2 1 317.477 1.994 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001047386475 768440400 /nfs/dbraw/zinc/44/04/00/768440400.db2.gz VMVVOPBMRXQETQ-YVSFHVDLSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386475 768440407 /nfs/dbraw/zinc/44/04/07/768440407.db2.gz VMVVOPBMRXQETQ-YVSFHVDLSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001047386475 768440411 /nfs/dbraw/zinc/44/04/11/768440411.db2.gz VMVVOPBMRXQETQ-YVSFHVDLSA-N 2 1 323.481 1.186 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001133117848 769509417 /nfs/dbraw/zinc/50/94/17/769509417.db2.gz PAYTYQFFRWVEDN-HOTGVXAUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562945 769536582 /nfs/dbraw/zinc/53/65/82/769536582.db2.gz RZIFSVQBUVNVQS-UUAJXVIYSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562945 769536587 /nfs/dbraw/zinc/53/65/87/769536587.db2.gz RZIFSVQBUVNVQS-UUAJXVIYSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562945 769536593 /nfs/dbraw/zinc/53/65/93/769536593.db2.gz RZIFSVQBUVNVQS-UUAJXVIYSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818424 769938151 /nfs/dbraw/zinc/93/81/51/769938151.db2.gz JGYOJTOCQRZZKB-WNRNVDISSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818424 769938155 /nfs/dbraw/zinc/93/81/55/769938155.db2.gz JGYOJTOCQRZZKB-WNRNVDISSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818424 769938160 /nfs/dbraw/zinc/93/81/60/769938160.db2.gz JGYOJTOCQRZZKB-WNRNVDISSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914767 770103257 /nfs/dbraw/zinc/10/32/57/770103257.db2.gz ZOILFDDGQIVWAF-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048914767 770103261 /nfs/dbraw/zinc/10/32/61/770103261.db2.gz ZOILFDDGQIVWAF-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C[C@H]2C1 ZINC001048914767 770103264 /nfs/dbraw/zinc/10/32/64/770103264.db2.gz ZOILFDDGQIVWAF-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791462 771160922 /nfs/dbraw/zinc/16/09/22/771160922.db2.gz VFBYPRHYCIQLPC-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791462 771160924 /nfs/dbraw/zinc/16/09/24/771160924.db2.gz VFBYPRHYCIQLPC-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471538 771527419 /nfs/dbraw/zinc/52/74/19/771527419.db2.gz NWPLACWEVLJYFO-KGLIPLIRSA-N 2 1 320.437 1.943 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001170861325 771766460 /nfs/dbraw/zinc/76/64/60/771766460.db2.gz CMTVXFLYEUMMNN-BRWVUGGUSA-N 2 1 323.481 1.241 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611427 773213882 /nfs/dbraw/zinc/21/38/82/773213882.db2.gz WPMNGPDYERDBHD-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611427 773213889 /nfs/dbraw/zinc/21/38/89/773213889.db2.gz WPMNGPDYERDBHD-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611427 773213896 /nfs/dbraw/zinc/21/38/96/773213896.db2.gz WPMNGPDYERDBHD-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091780764 773816552 /nfs/dbraw/zinc/81/65/52/773816552.db2.gz YYUDPTJLIBULTN-FMKPAKJESA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001091780764 773816555 /nfs/dbraw/zinc/81/65/55/773816555.db2.gz YYUDPTJLIBULTN-FMKPAKJESA-N 2 1 313.873 1.859 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001093056749 774368347 /nfs/dbraw/zinc/36/83/47/774368347.db2.gz NXXCYACEBONQGB-CRAIPNDOSA-N 2 1 313.445 1.679 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CC3)C[C@H]2C)CC1 ZINC001093224418 774536056 /nfs/dbraw/zinc/53/60/56/774536056.db2.gz VQYIKVLZCHWEJY-CRAIPNDOSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036774110 774569594 /nfs/dbraw/zinc/56/95/94/774569594.db2.gz ZGEZQRRGUSRTME-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036774110 774569597 /nfs/dbraw/zinc/56/95/97/774569597.db2.gz ZGEZQRRGUSRTME-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459781 774587109 /nfs/dbraw/zinc/58/71/09/774587109.db2.gz PNDLZGLFYUKZRO-KURKYZTESA-N 2 1 311.429 1.717 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001098459781 774587113 /nfs/dbraw/zinc/58/71/13/774587113.db2.gz PNDLZGLFYUKZRO-KURKYZTESA-N 2 1 311.429 1.717 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036809470 774694315 /nfs/dbraw/zinc/69/43/15/774694315.db2.gz LKZYEHMCIPSYFM-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001098996494 774764048 /nfs/dbraw/zinc/76/40/48/774764048.db2.gz LZMBRCIGIAZQEC-OVWQWFNUSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996494 774764051 /nfs/dbraw/zinc/76/40/51/774764051.db2.gz LZMBRCIGIAZQEC-OVWQWFNUSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001098996494 774764056 /nfs/dbraw/zinc/76/40/56/774764056.db2.gz LZMBRCIGIAZQEC-OVWQWFNUSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001093598491 774902864 /nfs/dbraw/zinc/90/28/64/774902864.db2.gz QFHVPTOAYMTNGJ-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001099320937 774945698 /nfs/dbraw/zinc/94/56/98/774945698.db2.gz MOSNNKLDFNFOQX-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001099320937 774945702 /nfs/dbraw/zinc/94/57/02/774945702.db2.gz MOSNNKLDFNFOQX-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496042 775008494 /nfs/dbraw/zinc/00/84/94/775008494.db2.gz HXFRRAWBODSGSD-NXOAAHMSSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496042 775008503 /nfs/dbraw/zinc/00/85/03/775008503.db2.gz HXFRRAWBODSGSD-NXOAAHMSSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496042 775008510 /nfs/dbraw/zinc/00/85/10/775008510.db2.gz HXFRRAWBODSGSD-NXOAAHMSSA-N 2 1 317.477 1.519 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871098 775009541 /nfs/dbraw/zinc/00/95/41/775009541.db2.gz GLBVLUDFIUIPSO-ZBFHGGJFSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871098 775009547 /nfs/dbraw/zinc/00/95/47/775009547.db2.gz GLBVLUDFIUIPSO-ZBFHGGJFSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871095 775009888 /nfs/dbraw/zinc/00/98/88/775009888.db2.gz GLBVLUDFIUIPSO-GDBMZVCRSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871095 775009893 /nfs/dbraw/zinc/00/98/93/775009893.db2.gz GLBVLUDFIUIPSO-GDBMZVCRSA-N 2 1 314.433 1.870 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](CC)CC)C1 ZINC001099539248 775020829 /nfs/dbraw/zinc/02/08/29/775020829.db2.gz ZSBYQMISHNGXIX-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544542 775022804 /nfs/dbraw/zinc/02/28/04/775022804.db2.gz QNZQQLKQOGOYOY-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544542 775022810 /nfs/dbraw/zinc/02/28/10/775022810.db2.gz QNZQQLKQOGOYOY-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544542 775022818 /nfs/dbraw/zinc/02/28/18/775022818.db2.gz QNZQQLKQOGOYOY-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544190 775022911 /nfs/dbraw/zinc/02/29/11/775022911.db2.gz MNPNALRJJIPNCT-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544190 775022918 /nfs/dbraw/zinc/02/29/18/775022918.db2.gz MNPNALRJJIPNCT-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544190 775022924 /nfs/dbraw/zinc/02/29/24/775022924.db2.gz MNPNALRJJIPNCT-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985411 775526347 /nfs/dbraw/zinc/52/63/47/775526347.db2.gz CCQKNUASDHVHMA-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513862 776259889 /nfs/dbraw/zinc/25/98/89/776259889.db2.gz QXTCLRDXABWLEE-UHFFFAOYSA-N 2 1 314.433 1.270 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100678666 776432181 /nfs/dbraw/zinc/43/21/81/776432181.db2.gz SNMAPUORSXLOBG-MQBCKMQZSA-N 2 1 309.429 1.317 20 30 DDEDMP C=CCN1CCC[C@@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1=O ZINC001172250614 776737358 /nfs/dbraw/zinc/73/73/58/776737358.db2.gz SXEBQNRHJRHPPE-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001102190252 777922713 /nfs/dbraw/zinc/92/27/13/777922713.db2.gz YQGCQHHNDWIYQL-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176126128 778057087 /nfs/dbraw/zinc/05/70/87/778057087.db2.gz WIJJRUNSFRWSNX-UHFFFAOYSA-N 2 1 317.418 1.421 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH2+]CC#CCOC ZINC001176285695 778101694 /nfs/dbraw/zinc/10/16/94/778101694.db2.gz OWNBRSRBAYISNQ-MRXNPFEDSA-N 2 1 311.470 1.243 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102417489 778126466 /nfs/dbraw/zinc/12/64/66/778126466.db2.gz XDUMEGCNEWVSFM-HUUCEWRRSA-N 2 1 304.438 1.877 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102417489 778126468 /nfs/dbraw/zinc/12/64/68/778126468.db2.gz XDUMEGCNEWVSFM-HUUCEWRRSA-N 2 1 304.438 1.877 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580947 778222426 /nfs/dbraw/zinc/22/24/26/778222426.db2.gz RZWUFBRCQYJTTM-GDBMZVCRSA-N 2 1 320.437 1.078 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102580947 778222431 /nfs/dbraw/zinc/22/24/31/778222431.db2.gz RZWUFBRCQYJTTM-GDBMZVCRSA-N 2 1 320.437 1.078 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233795 778726653 /nfs/dbraw/zinc/72/66/53/778726653.db2.gz RVBATBLVCNDQGH-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233795 778726656 /nfs/dbraw/zinc/72/66/56/778726656.db2.gz RVBATBLVCNDQGH-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396803 778841635 /nfs/dbraw/zinc/84/16/35/778841635.db2.gz KCAIPODLYDYSPD-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436430 778867265 /nfs/dbraw/zinc/86/72/65/778867265.db2.gz XQSUWCACCZNPEE-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103436430 778867277 /nfs/dbraw/zinc/86/72/77/778867277.db2.gz XQSUWCACCZNPEE-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001103436430 778867285 /nfs/dbraw/zinc/86/72/85/778867285.db2.gz XQSUWCACCZNPEE-BRWVUGGUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438474 778868537 /nfs/dbraw/zinc/86/85/37/778868537.db2.gz LBMXNZWDTANCRC-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438474 778868545 /nfs/dbraw/zinc/86/85/45/778868545.db2.gz LBMXNZWDTANCRC-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438474 778868553 /nfs/dbraw/zinc/86/85/53/778868553.db2.gz LBMXNZWDTANCRC-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103753404 779030448 /nfs/dbraw/zinc/03/04/48/779030448.db2.gz HFNKBXYZAGPUSL-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1C ZINC001178736604 779159847 /nfs/dbraw/zinc/15/98/47/779159847.db2.gz ZAORHBXDFGYRBE-LUKYLMHMSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001179371286 779363287 /nfs/dbraw/zinc/36/32/87/779363287.db2.gz ODTVDVGLELPJAE-QGZVFWFLSA-N 2 1 323.481 1.385 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580728 779430947 /nfs/dbraw/zinc/43/09/47/779430947.db2.gz NSAWQORPKMDJKH-KRWDZBQOSA-N 2 1 323.481 1.387 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873100 779530962 /nfs/dbraw/zinc/53/09/62/779530962.db2.gz KAXNDWOBIXGIHJ-YJBOKZPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873100 779530970 /nfs/dbraw/zinc/53/09/70/779530970.db2.gz KAXNDWOBIXGIHJ-YJBOKZPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873100 779530975 /nfs/dbraw/zinc/53/09/75/779530975.db2.gz KAXNDWOBIXGIHJ-YJBOKZPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450925 780143830 /nfs/dbraw/zinc/14/38/30/780143830.db2.gz UECYOPBUOOISHZ-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010385 781721322 /nfs/dbraw/zinc/72/13/22/781721322.db2.gz PNHDXILPEOTDKM-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267179361 837479428 /nfs/dbraw/zinc/47/94/28/837479428.db2.gz OQBYBBQNEHEAND-DLBZAZTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nccs2)CC1 ZINC001266994928 837161830 /nfs/dbraw/zinc/16/18/30/837161830.db2.gz PQBVSCDKQHJEDM-CYBMUJFWSA-N 2 1 320.462 1.083 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CCCC)C1 ZINC001267103602 837350026 /nfs/dbraw/zinc/35/00/26/837350026.db2.gz CBLSVKQFISPGML-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001267103602 837350039 /nfs/dbraw/zinc/35/00/39/837350039.db2.gz CBLSVKQFISPGML-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC)C1 ZINC001267103602 837350050 /nfs/dbraw/zinc/35/00/50/837350050.db2.gz CBLSVKQFISPGML-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC)C1 ZINC001267103602 837350061 /nfs/dbraw/zinc/35/00/61/837350061.db2.gz CBLSVKQFISPGML-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP COCC#CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001267338093 837855007 /nfs/dbraw/zinc/85/50/07/837855007.db2.gz OZPPXYUHWLHMNT-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001267338093 837855016 /nfs/dbraw/zinc/85/50/16/837855016.db2.gz OZPPXYUHWLHMNT-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267605453 838426933 /nfs/dbraw/zinc/42/69/33/838426933.db2.gz UWPSIWVNYFFZTB-FUHWJXTLSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267605453 838426935 /nfs/dbraw/zinc/42/69/35/838426935.db2.gz UWPSIWVNYFFZTB-FUHWJXTLSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881386 844354859 /nfs/dbraw/zinc/35/48/59/844354859.db2.gz PWUBYIKKHLOWDS-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881386 844354871 /nfs/dbraw/zinc/35/48/71/844354871.db2.gz PWUBYIKKHLOWDS-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881386 844354881 /nfs/dbraw/zinc/35/48/81/844354881.db2.gz PWUBYIKKHLOWDS-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC001267938833 839228703 /nfs/dbraw/zinc/22/87/03/839228703.db2.gz LYTHZYCBBJPUSZ-INIZCTEOSA-N 2 1 313.445 1.758 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001268138046 839741477 /nfs/dbraw/zinc/74/14/77/839741477.db2.gz OYQWYPXXQNTRDS-WBVHZDCISA-N 2 1 316.449 1.822 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001269519065 841715247 /nfs/dbraw/zinc/71/52/47/841715247.db2.gz XXYIJABFXUUAIB-UHFFFAOYSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001269799229 842057300 /nfs/dbraw/zinc/05/73/00/842057300.db2.gz SUTXFPAROXIKJY-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001280220452 842559732 /nfs/dbraw/zinc/55/97/32/842559732.db2.gz XTUGGEGODFMDCQ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001270517649 842636313 /nfs/dbraw/zinc/63/63/13/842636313.db2.gz SOEBBZXCLFYDIO-AWEZNQCLSA-N 2 1 318.421 1.249 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001271424194 843578994 /nfs/dbraw/zinc/57/89/94/843578994.db2.gz CNCGYYDMXFDJBP-CVEARBPZSA-N 2 1 307.482 1.814 20 30 DDEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001272152056 844664388 /nfs/dbraw/zinc/66/43/88/844664388.db2.gz NOMLQPLQDZSVSR-DLBZAZTESA-N 2 1 323.481 1.147 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001409462852 845135951 /nfs/dbraw/zinc/13/59/51/845135951.db2.gz IMYGHGRMPUQSRY-RYUDHWBXSA-N 2 1 320.275 1.718 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273039031 847826222 /nfs/dbraw/zinc/82/62/22/847826222.db2.gz LHXSFXRGGDHOCV-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034210093 848117401 /nfs/dbraw/zinc/11/74/01/848117401.db2.gz MOTWTELJPOVIKU-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260251 848184878 /nfs/dbraw/zinc/18/48/78/848184878.db2.gz HEHYSIAKSUVPLO-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273175865 848634872 /nfs/dbraw/zinc/63/48/72/848634872.db2.gz LOSXJQMLAQIUQF-NWDGAFQWSA-N 2 1 318.259 1.331 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001273458887 850844881 /nfs/dbraw/zinc/84/48/81/850844881.db2.gz XYSFGXWYBPKVAS-KRWDZBQOSA-N 2 1 316.449 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001273458887 850844891 /nfs/dbraw/zinc/84/48/91/850844891.db2.gz XYSFGXWYBPKVAS-KRWDZBQOSA-N 2 1 316.449 1.966 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001275150905 852842624 /nfs/dbraw/zinc/84/26/24/852842624.db2.gz PZXZXUPULMULSJ-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001275150905 852842615 /nfs/dbraw/zinc/84/26/15/852842615.db2.gz PZXZXUPULMULSJ-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)s1 ZINC001275588733 853404791 /nfs/dbraw/zinc/40/47/91/853404791.db2.gz HKFYHOJOSLXWAP-OKILXGFUSA-N 2 1 304.463 1.830 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)s1 ZINC001275588733 853404797 /nfs/dbraw/zinc/40/47/97/853404797.db2.gz HKFYHOJOSLXWAP-OKILXGFUSA-N 2 1 304.463 1.830 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001279195017 853488498 /nfs/dbraw/zinc/48/84/98/853488498.db2.gz VTRYHTCYBPQHLV-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001327958101 862594424 /nfs/dbraw/zinc/59/44/24/862594424.db2.gz KIRGQZYTINNTTR-WMZOPIPTSA-N 2 1 313.445 1.578 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001327958101 862594440 /nfs/dbraw/zinc/59/44/40/862594440.db2.gz KIRGQZYTINNTTR-WMZOPIPTSA-N 2 1 313.445 1.578 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073129466 858126220 /nfs/dbraw/zinc/12/62/20/858126220.db2.gz ZRPCOVFSLNIZDO-UHFFFAOYSA-N 2 1 312.417 1.319 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073129466 858126224 /nfs/dbraw/zinc/12/62/24/858126224.db2.gz ZRPCOVFSLNIZDO-UHFFFAOYSA-N 2 1 312.417 1.319 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599583 858473706 /nfs/dbraw/zinc/47/37/06/858473706.db2.gz INMDEXFFIBCVBI-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599583 858473693 /nfs/dbraw/zinc/47/36/93/858473693.db2.gz INMDEXFFIBCVBI-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599583 858473699 /nfs/dbraw/zinc/47/36/99/858473699.db2.gz INMDEXFFIBCVBI-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC(CO)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001328529472 863036071 /nfs/dbraw/zinc/03/60/71/863036071.db2.gz NZJGWLPIIAHEQK-MRXNPFEDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177956 858704078 /nfs/dbraw/zinc/70/40/78/858704078.db2.gz OWEAHBZYCKLFTJ-XOGYLQAWSA-N 2 1 321.465 1.158 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001325779776 860827748 /nfs/dbraw/zinc/82/77/48/860827748.db2.gz STTAUPOBQSJRIU-CALCHBBNSA-N 2 1 303.450 1.276 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001152426044 863339501 /nfs/dbraw/zinc/33/95/01/863339501.db2.gz BPXVOCJDTWXAGB-UHFFFAOYSA-N 2 1 321.852 1.738 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001153819451 864131068 /nfs/dbraw/zinc/13/10/68/864131068.db2.gz ZUQVKEUPKYMUBY-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819451 864131072 /nfs/dbraw/zinc/13/10/72/864131072.db2.gz ZUQVKEUPKYMUBY-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001153819451 864131077 /nfs/dbraw/zinc/13/10/77/864131077.db2.gz ZUQVKEUPKYMUBY-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001158066171 864401585 /nfs/dbraw/zinc/40/15/85/864401585.db2.gz NAUMRALRIQHNEG-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158066171 864401593 /nfs/dbraw/zinc/40/15/93/864401593.db2.gz NAUMRALRIQHNEG-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001158066171 864401607 /nfs/dbraw/zinc/40/16/07/864401607.db2.gz NAUMRALRIQHNEG-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225347188 881789810 /nfs/dbraw/zinc/78/98/10/881789810.db2.gz VTBHKDPMFLSUSI-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763714 864888548 /nfs/dbraw/zinc/88/85/48/864888548.db2.gz KAUZREIOXRZRLH-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001331944443 865450074 /nfs/dbraw/zinc/45/00/74/865450074.db2.gz QHZHIOQKYHMWGX-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001331944443 865450079 /nfs/dbraw/zinc/45/00/79/865450079.db2.gz QHZHIOQKYHMWGX-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001160191967 865720814 /nfs/dbraw/zinc/72/08/14/865720814.db2.gz VBECVXSAKBDWHX-SFHVURJKSA-N 2 1 313.445 1.689 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C)cc1 ZINC001160191967 865720827 /nfs/dbraw/zinc/72/08/27/865720827.db2.gz VBECVXSAKBDWHX-SFHVURJKSA-N 2 1 313.445 1.689 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160360163 865799050 /nfs/dbraw/zinc/79/90/50/865799050.db2.gz KREMOWNCMANFBW-INIZCTEOSA-N 2 1 312.417 1.532 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001160360163 865799056 /nfs/dbraw/zinc/79/90/56/865799056.db2.gz KREMOWNCMANFBW-INIZCTEOSA-N 2 1 312.417 1.532 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCCF)CC1 ZINC001160385892 865807244 /nfs/dbraw/zinc/80/72/44/865807244.db2.gz AOGOLNCIXVWQOM-KRWDZBQOSA-N 2 1 321.440 1.582 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001160385892 865807252 /nfs/dbraw/zinc/80/72/52/865807252.db2.gz AOGOLNCIXVWQOM-KRWDZBQOSA-N 2 1 321.440 1.582 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCF)CC1 ZINC001160385892 865807265 /nfs/dbraw/zinc/80/72/65/865807265.db2.gz AOGOLNCIXVWQOM-KRWDZBQOSA-N 2 1 321.440 1.582 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCCF)CC1 ZINC001160385892 865807284 /nfs/dbraw/zinc/80/72/84/865807284.db2.gz AOGOLNCIXVWQOM-KRWDZBQOSA-N 2 1 321.440 1.582 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001160857290 866153260 /nfs/dbraw/zinc/15/32/60/866153260.db2.gz ZAWADJAKPWMZLU-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001320162358 866522581 /nfs/dbraw/zinc/52/25/81/866522581.db2.gz DMGWOPOYDXBSQJ-CVEARBPZSA-N 2 1 307.482 1.862 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1 ZINC001320449610 866746448 /nfs/dbraw/zinc/74/64/48/866746448.db2.gz FKJUATBRFMTMSK-WBVHZDCISA-N 2 1 314.433 1.164 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccnc1 ZINC001320449610 866746456 /nfs/dbraw/zinc/74/64/56/866746456.db2.gz FKJUATBRFMTMSK-WBVHZDCISA-N 2 1 314.433 1.164 20 30 DDEDMP COCC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001320474923 866766219 /nfs/dbraw/zinc/76/62/19/866766219.db2.gz VQKYKQBHWVPHOI-SJORKVTESA-N 2 1 323.481 1.241 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001323874583 866917060 /nfs/dbraw/zinc/91/70/60/866917060.db2.gz UYUXKNASLPCIHQ-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001323874583 866917073 /nfs/dbraw/zinc/91/70/73/866917073.db2.gz UYUXKNASLPCIHQ-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001323874583 866917052 /nfs/dbraw/zinc/91/70/52/866917052.db2.gz UYUXKNASLPCIHQ-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001324286812 867182557 /nfs/dbraw/zinc/18/25/57/867182557.db2.gz UOXOVYJZOQQSDL-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+]c1ncnc2c1nnn2C ZINC001163473029 868475890 /nfs/dbraw/zinc/47/58/90/868475890.db2.gz IWMDNROVGKIUBZ-UHFFFAOYSA-N 2 1 310.365 1.248 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531355 869264396 /nfs/dbraw/zinc/26/43/96/869264396.db2.gz FLNVASIAWRQIMU-IRXDYDNUSA-N 2 1 317.477 1.760 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270150 869482335 /nfs/dbraw/zinc/48/23/35/869482335.db2.gz CXRHYMTWBJXTSI-CYBMUJFWSA-N 2 1 310.829 1.602 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317154025 870374636 /nfs/dbraw/zinc/37/46/36/870374636.db2.gz MOQUSTTVNPBMQM-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203729222 870729485 /nfs/dbraw/zinc/72/94/85/870729485.db2.gz DXWPCZCYESADDI-GJZGRUSLSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317382358 870746233 /nfs/dbraw/zinc/74/62/33/870746233.db2.gz RRLAUEAZKLPYEV-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317382358 870746245 /nfs/dbraw/zinc/74/62/45/870746245.db2.gz RRLAUEAZKLPYEV-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001317193001 870958455 /nfs/dbraw/zinc/95/84/55/870958455.db2.gz ONYXXXYGCMOQQH-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317535954 871018473 /nfs/dbraw/zinc/01/84/73/871018473.db2.gz LGHDEWIULZKAGN-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP Cn1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c2cc(C#N)ccc21 ZINC001205725791 871754037 /nfs/dbraw/zinc/75/40/37/871754037.db2.gz LJFUULLBNDYSQB-GOSISDBHSA-N 2 1 312.417 1.726 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006603 871990753 /nfs/dbraw/zinc/99/07/53/871990753.db2.gz NUMQSKYZDWHFCY-SFHVURJKSA-N 2 1 319.493 1.960 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)[NH+](CC)CC ZINC001208575808 874278958 /nfs/dbraw/zinc/27/89/58/874278958.db2.gz VYNAOIWNDGDJJW-ZACQAIPSSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001208591117 874291635 /nfs/dbraw/zinc/29/16/35/874291635.db2.gz QDLPBDXLFVCYBH-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001208591117 874291646 /nfs/dbraw/zinc/29/16/46/874291646.db2.gz QDLPBDXLFVCYBH-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001208591117 874291661 /nfs/dbraw/zinc/29/16/61/874291661.db2.gz QDLPBDXLFVCYBH-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001378165016 874307510 /nfs/dbraw/zinc/30/75/10/874307510.db2.gz LIFMYWSDSNJYEH-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269933 875736085 /nfs/dbraw/zinc/73/60/85/875736085.db2.gz VXKVTUADFMJSIU-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213526372 875968770 /nfs/dbraw/zinc/96/87/70/875968770.db2.gz KHAFBTGKWURYBT-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](OC)C1 ZINC001213764980 876051619 /nfs/dbraw/zinc/05/16/19/876051619.db2.gz NFOTVMVTNCAFCO-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213764980 876051637 /nfs/dbraw/zinc/05/16/37/876051637.db2.gz NFOTVMVTNCAFCO-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](OC)C1 ZINC001213764980 876051654 /nfs/dbraw/zinc/05/16/54/876051654.db2.gz NFOTVMVTNCAFCO-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001379194433 876600582 /nfs/dbraw/zinc/60/05/82/876600582.db2.gz FCUIHNHRBQXWPF-IUODEOHRSA-N 2 1 320.462 1.650 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001379485986 877183991 /nfs/dbraw/zinc/18/39/91/877183991.db2.gz WLNHQESTLMISKS-UONOGXRCSA-N 2 1 317.861 1.069 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001379485986 877183998 /nfs/dbraw/zinc/18/39/98/877183998.db2.gz WLNHQESTLMISKS-UONOGXRCSA-N 2 1 317.861 1.069 20 30 DDEDMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379516007 877269533 /nfs/dbraw/zinc/26/95/33/877269533.db2.gz PQFYEUDDVOLJDO-QJPTWQEYSA-N 2 1 318.259 1.330 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)CCC[NH+](C)C)[C@H]2C1 ZINC001218557956 877566193 /nfs/dbraw/zinc/56/61/93/877566193.db2.gz NUWQNLCISDXGLV-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220977945 879422848 /nfs/dbraw/zinc/42/28/48/879422848.db2.gz GGPUZBSWXUAYAU-XHSDSOJGSA-N 2 1 311.470 1.070 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220977945 879422858 /nfs/dbraw/zinc/42/28/58/879422858.db2.gz GGPUZBSWXUAYAU-XHSDSOJGSA-N 2 1 311.470 1.070 20 30 DDEDMP N#Cc1c(F)cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cc1F ZINC001222095431 880244875 /nfs/dbraw/zinc/24/48/75/880244875.db2.gz SKQKBJHOAONOCC-UHFFFAOYSA-N 2 1 306.360 1.364 20 30 DDEDMP N#Cc1c(F)cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1F ZINC001222095431 880244890 /nfs/dbraw/zinc/24/48/90/880244890.db2.gz SKQKBJHOAONOCC-UHFFFAOYSA-N 2 1 306.360 1.364 20 30 DDEDMP N#Cc1c(F)cc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cc1F ZINC001222095431 880244902 /nfs/dbraw/zinc/24/49/02/880244902.db2.gz SKQKBJHOAONOCC-UHFFFAOYSA-N 2 1 306.360 1.364 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222442853 880469163 /nfs/dbraw/zinc/46/91/63/880469163.db2.gz OPVARZFNUHNEPZ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442853 880469169 /nfs/dbraw/zinc/46/91/69/880469169.db2.gz OPVARZFNUHNEPZ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001222442853 880469174 /nfs/dbraw/zinc/46/91/74/880469174.db2.gz OPVARZFNUHNEPZ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001223023663 880785380 /nfs/dbraw/zinc/78/53/80/880785380.db2.gz LHADHRFVRIZHSX-CVEARBPZSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223023663 880785382 /nfs/dbraw/zinc/78/53/82/880785382.db2.gz LHADHRFVRIZHSX-CVEARBPZSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223023663 880785385 /nfs/dbraw/zinc/78/53/85/880785385.db2.gz LHADHRFVRIZHSX-CVEARBPZSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001277369332 883891238 /nfs/dbraw/zinc/89/12/38/883891238.db2.gz WNGGMDDTKAJSJM-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001277369332 883891247 /nfs/dbraw/zinc/89/12/47/883891247.db2.gz WNGGMDDTKAJSJM-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001277369332 883891262 /nfs/dbraw/zinc/89/12/62/883891262.db2.gz WNGGMDDTKAJSJM-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235516464 888704610 /nfs/dbraw/zinc/70/46/10/888704610.db2.gz WTOQGUXAWYVRNQ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235516464 888704616 /nfs/dbraw/zinc/70/46/16/888704616.db2.gz WTOQGUXAWYVRNQ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235516464 888704622 /nfs/dbraw/zinc/70/46/22/888704622.db2.gz WTOQGUXAWYVRNQ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC001278097949 889631642 /nfs/dbraw/zinc/63/16/42/889631642.db2.gz NOOTUMJTRKCWPV-UHFFFAOYSA-N 2 1 304.438 1.355 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001366177332 892659073 /nfs/dbraw/zinc/65/90/73/892659073.db2.gz GVRMVHRTXSCQMH-UKRRQHHQSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001366177332 892659085 /nfs/dbraw/zinc/65/90/85/892659085.db2.gz GVRMVHRTXSCQMH-UKRRQHHQSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001366177332 892659092 /nfs/dbraw/zinc/65/90/92/892659092.db2.gz GVRMVHRTXSCQMH-UKRRQHHQSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001366177332 892659099 /nfs/dbraw/zinc/65/90/99/892659099.db2.gz GVRMVHRTXSCQMH-UKRRQHHQSA-N 2 1 313.873 1.909 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366272774 892979722 /nfs/dbraw/zinc/97/97/22/892979722.db2.gz UAOGPKUGCCSPKA-XJKSGUPXSA-N 2 1 300.406 1.247 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001252557491 895279169 /nfs/dbraw/zinc/27/91/69/895279169.db2.gz MLIQMQRBKMWVIM-YOEHRIQHSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001252557491 895279179 /nfs/dbraw/zinc/27/91/79/895279179.db2.gz MLIQMQRBKMWVIM-YOEHRIQHSA-N 2 1 310.438 1.273 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001252604091 895311816 /nfs/dbraw/zinc/31/18/16/895311816.db2.gz MRRDAZFBTSDTKQ-DOTOQJQBSA-N 2 1 324.465 1.663 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001252604091 895311835 /nfs/dbraw/zinc/31/18/35/895311835.db2.gz MRRDAZFBTSDTKQ-DOTOQJQBSA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001253577054 895905297 /nfs/dbraw/zinc/90/52/97/895905297.db2.gz JWGQMUVZVRAWGE-INIZCTEOSA-N 2 1 304.438 1.397 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001253577054 895905304 /nfs/dbraw/zinc/90/53/04/895905304.db2.gz JWGQMUVZVRAWGE-INIZCTEOSA-N 2 1 304.438 1.397 20 30 DDEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001278878865 897082541 /nfs/dbraw/zinc/08/25/41/897082541.db2.gz VQCQLLBUKUZQFZ-INIZCTEOSA-N 2 1 311.470 1.046 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264123016 900960279 /nfs/dbraw/zinc/96/02/79/900960279.db2.gz XTLKDPRQRBCZAS-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001369316509 901048853 /nfs/dbraw/zinc/04/88/53/901048853.db2.gz WBZKHHNVIDQJOF-OAHLLOKOSA-N 2 1 316.449 1.835 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001264393847 901082157 /nfs/dbraw/zinc/08/21/57/901082157.db2.gz OFEPHFFMFRJXMP-JZXOWHBKSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001264678010 901276606 /nfs/dbraw/zinc/27/66/06/901276606.db2.gz NPJAYRAXEUAMPJ-IRXDYDNUSA-N 2 1 323.456 1.804 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001264678010 901276617 /nfs/dbraw/zinc/27/66/17/901276617.db2.gz NPJAYRAXEUAMPJ-IRXDYDNUSA-N 2 1 323.456 1.804 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1C#N ZINC001264970342 901357007 /nfs/dbraw/zinc/35/70/07/901357007.db2.gz IGUMFYOCXHHEBQ-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccccc1C#N ZINC001264970342 901357018 /nfs/dbraw/zinc/35/70/18/901357018.db2.gz IGUMFYOCXHHEBQ-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccccc1C#N ZINC001264970342 901357033 /nfs/dbraw/zinc/35/70/33/901357033.db2.gz IGUMFYOCXHHEBQ-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391878624 902788415 /nfs/dbraw/zinc/78/84/15/902788415.db2.gz JDHUNORAQDYVDZ-YOEHRIQHSA-N 2 1 314.433 1.494 20 30 DDEDMP COCC#CC[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001266141508 903010418 /nfs/dbraw/zinc/01/04/18/903010418.db2.gz JWEDLPIJOPZJTQ-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001316601946 903548147 /nfs/dbraw/zinc/54/81/47/903548147.db2.gz JXMNOJGHNRELSR-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCOCC1 ZINC001316601946 903548160 /nfs/dbraw/zinc/54/81/60/903548160.db2.gz JXMNOJGHNRELSR-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001280307948 903589843 /nfs/dbraw/zinc/58/98/43/903589843.db2.gz PLVUEGOOIKYDCC-CQSZACIVSA-N 2 1 301.862 1.907 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001280452071 903694927 /nfs/dbraw/zinc/69/49/27/903694927.db2.gz LZVIZOHXEGGANY-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001371141825 904335654 /nfs/dbraw/zinc/33/56/54/904335654.db2.gz QBJNRFLDDQGWHI-QWRGUYRKSA-N 2 1 304.232 1.084 20 30 DDEDMP C=C(Cl)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001392919617 905690846 /nfs/dbraw/zinc/69/08/46/905690846.db2.gz RYLFUXFANWNOTK-KGLIPLIRSA-N 2 1 311.857 1.994 20 30 DDEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001282744501 906013006 /nfs/dbraw/zinc/01/30/06/906013006.db2.gz OOQVJUCYUWQAPZ-MRXNPFEDSA-N 2 1 315.461 1.783 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001393109329 906222769 /nfs/dbraw/zinc/22/27/69/906222769.db2.gz ULRKLQHZIUHQLL-GOSISDBHSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001373828070 911128257 /nfs/dbraw/zinc/12/82/57/911128257.db2.gz BKBLOMNTZCOGQG-IAGOWNOFSA-N 2 1 314.433 1.494 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001373877305 911256132 /nfs/dbraw/zinc/25/61/32/911256132.db2.gz TXIDTAVWMHLNLJ-XPKDYRNWSA-N 2 1 313.873 1.954 20 30 DDEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001376165852 917856169 /nfs/dbraw/zinc/85/61/69/917856169.db2.gz XLABNUCKFOJBJM-DLBZAZTESA-N 2 1 314.433 1.589 20 30 DDEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001376165852 917856181 /nfs/dbraw/zinc/85/61/81/917856181.db2.gz XLABNUCKFOJBJM-DLBZAZTESA-N 2 1 314.433 1.589 20 30 DDEDMP CC(C)C[C@H]([NH2+]Cc1ccc(C#N)o1)C(=O)NCC[NH+](C)C ZINC000157337808 290726958 /nfs/dbraw/zinc/72/69/58/290726958.db2.gz VEEAYBOZCWYSKM-HNNXBMFYSA-N 2 1 306.410 1.333 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1F ZINC000174729198 198376341 /nfs/dbraw/zinc/37/63/41/198376341.db2.gz WHHYXRWVXMNHHO-UHFFFAOYSA-N 2 1 304.413 1.767 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000594437640 356213397 /nfs/dbraw/zinc/21/33/97/356213397.db2.gz KGYLDJYBLDPQIA-JYJNAYRXSA-N 2 1 322.453 1.157 20 30 DDEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC1CCC1 ZINC000263187304 283260935 /nfs/dbraw/zinc/26/09/35/283260935.db2.gz VBCIXJFTEJOYAA-INIZCTEOSA-N 2 1 302.422 1.210 20 30 DDEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000602876186 359260066 /nfs/dbraw/zinc/26/00/66/359260066.db2.gz FWASFWSOVWRFGJ-KRWDZBQOSA-N 2 1 309.454 1.475 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H](C)C1 ZINC000610812874 360543132 /nfs/dbraw/zinc/54/31/32/360543132.db2.gz NNOFOEDOJUSCTC-WMZOPIPTSA-N 2 1 322.497 1.701 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120439447 781944036 /nfs/dbraw/zinc/94/40/36/781944036.db2.gz GOFHEHLVIVQPQQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439447 781944044 /nfs/dbraw/zinc/94/40/44/781944044.db2.gz GOFHEHLVIVQPQQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439447 781944056 /nfs/dbraw/zinc/94/40/56/781944056.db2.gz GOFHEHLVIVQPQQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(C)=O)c1 ZINC000104161860 285253838 /nfs/dbraw/zinc/25/38/38/285253838.db2.gz IYYFZRHUMJSQHA-MRXNPFEDSA-N 2 1 317.437 1.534 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000178566748 407493862 /nfs/dbraw/zinc/49/38/62/407493862.db2.gz YHKJTNGHWSVOCP-HNNXBMFYSA-N 2 1 304.438 1.974 20 30 DDEDMP CCc1cccc(NC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000170912744 407555989 /nfs/dbraw/zinc/55/59/89/407555989.db2.gz FRHNPAZBFSUMRV-UHFFFAOYSA-N 2 1 317.437 1.140 20 30 DDEDMP COc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C#N ZINC000282426582 409052703 /nfs/dbraw/zinc/05/27/03/409052703.db2.gz RBXVDHDTBUPSAE-UHFFFAOYSA-N 2 1 316.449 1.682 20 30 DDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000320631252 409905674 /nfs/dbraw/zinc/90/56/74/409905674.db2.gz BUHXYVIMOQDREH-HNNXBMFYSA-N 2 1 300.362 1.093 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000350262477 409936304 /nfs/dbraw/zinc/93/63/04/409936304.db2.gz ZTGIWIOSFRZGEW-CVEARBPZSA-N 2 1 324.469 1.180 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1=O ZINC000652363761 422979481 /nfs/dbraw/zinc/97/94/81/422979481.db2.gz MYKQOKQZVCDOCI-WCVJEAGWSA-N 2 1 307.438 1.134 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366340099 418460811 /nfs/dbraw/zinc/46/08/11/418460811.db2.gz OGMIAGGTDBWWKC-CQSZACIVSA-N 2 1 302.426 1.661 20 30 DDEDMP CC[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261982006 222266167 /nfs/dbraw/zinc/26/61/67/222266167.db2.gz PARPGZACTMDDJA-IAQYHMDHSA-N 2 1 305.426 1.521 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)c(OC)c1 ZINC000264125010 222322625 /nfs/dbraw/zinc/32/26/25/222322625.db2.gz WANSUTIDJCVJJC-HNNXBMFYSA-N 2 1 304.438 1.892 20 30 DDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])NCC2CCC2)CC1 ZINC000262008936 222269818 /nfs/dbraw/zinc/26/98/18/222269818.db2.gz SOTVZCAJSGGDAZ-UHFFFAOYSA-N 2 1 316.453 1.038 20 30 DDEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262178095 222273181 /nfs/dbraw/zinc/27/31/81/222273181.db2.gz WFULCDGRQLLIAR-QGZVFWFLSA-N 2 1 301.434 1.731 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264115466 222320120 /nfs/dbraw/zinc/32/01/20/222320120.db2.gz SJTYJDIHORHTLY-XJKSGUPXSA-N 2 1 304.438 1.108 20 30 DDEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)N1CCOCC1 ZINC000264116635 222321392 /nfs/dbraw/zinc/32/13/92/222321392.db2.gz SYVQLSGYUGIWPG-QGZVFWFLSA-N 2 1 316.449 1.198 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cccc(OC)c1 ZINC000267434975 222385127 /nfs/dbraw/zinc/38/51/27/222385127.db2.gz NNCKOVNOUSGFRJ-HOCLYGCPSA-N 2 1 320.437 1.117 20 30 DDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975211 419395661 /nfs/dbraw/zinc/39/56/61/419395661.db2.gz FKSKAPIZJTZZRN-MRXNPFEDSA-N 2 1 322.497 1.169 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000491701227 421202079 /nfs/dbraw/zinc/20/20/79/421202079.db2.gz WHLSGWKRWAYHQZ-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000564221614 421576268 /nfs/dbraw/zinc/57/62/68/421576268.db2.gz XSUKIRNKJXAIBZ-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000564221614 421576270 /nfs/dbraw/zinc/57/62/70/421576270.db2.gz XSUKIRNKJXAIBZ-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000530335790 421594506 /nfs/dbraw/zinc/59/45/06/421594506.db2.gz XBJMPYDYBBDGIE-KFWWJZLASA-N 2 1 315.421 1.717 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000530335790 421594508 /nfs/dbraw/zinc/59/45/08/421594508.db2.gz XBJMPYDYBBDGIE-KFWWJZLASA-N 2 1 315.421 1.717 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(C#N)CC3)CC2)CC1 ZINC000576291066 422373259 /nfs/dbraw/zinc/37/32/59/422373259.db2.gz XSIIZSAYCIHKOG-UHFFFAOYSA-N 2 1 318.465 1.603 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)=[NH+]C ZINC000262477405 276371244 /nfs/dbraw/zinc/37/12/44/276371244.db2.gz ZZBSGZFXOKEHBO-BARDWOONSA-N 2 1 308.470 1.449 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131902889 341113289 /nfs/dbraw/zinc/11/32/89/341113289.db2.gz PRYGISOEEUPHMQ-INIZCTEOSA-N 2 1 301.390 1.735 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131902889 341113290 /nfs/dbraw/zinc/11/32/90/341113290.db2.gz PRYGISOEEUPHMQ-INIZCTEOSA-N 2 1 301.390 1.735 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980186785 696703792 /nfs/dbraw/zinc/70/37/92/696703792.db2.gz ORVMMWDANQPTSR-KSZLIROESA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972408197 695241954 /nfs/dbraw/zinc/24/19/54/695241954.db2.gz JFBYSWAVNIZDIQ-FUHWJXTLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972408197 695241955 /nfs/dbraw/zinc/24/19/55/695241955.db2.gz JFBYSWAVNIZDIQ-FUHWJXTLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972622316 695302161 /nfs/dbraw/zinc/30/21/61/695302161.db2.gz IFNDGRNVBJMFEE-INIZCTEOSA-N 2 1 311.389 1.600 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000972622316 695302164 /nfs/dbraw/zinc/30/21/64/695302164.db2.gz IFNDGRNVBJMFEE-INIZCTEOSA-N 2 1 311.389 1.600 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974827126 695743915 /nfs/dbraw/zinc/74/39/15/695743915.db2.gz LCKYFGRPXINGTK-INIZCTEOSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865455 695749221 /nfs/dbraw/zinc/74/92/21/695749221.db2.gz UGMXEQJOFAXKTL-IAGOWNOFSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865455 695749223 /nfs/dbraw/zinc/74/92/23/695749223.db2.gz UGMXEQJOFAXKTL-IAGOWNOFSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978226837 696345553 /nfs/dbraw/zinc/34/55/53/696345553.db2.gz DLPOMWQYVSWIRS-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978226837 696345554 /nfs/dbraw/zinc/34/55/54/696345554.db2.gz DLPOMWQYVSWIRS-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978226837 696345556 /nfs/dbraw/zinc/34/55/56/696345556.db2.gz DLPOMWQYVSWIRS-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978255417 696352043 /nfs/dbraw/zinc/35/20/43/696352043.db2.gz ZFCMTTMALIMTRH-LUKYLMHMSA-N 2 1 305.466 1.444 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978255417 696352045 /nfs/dbraw/zinc/35/20/45/696352045.db2.gz ZFCMTTMALIMTRH-LUKYLMHMSA-N 2 1 305.466 1.444 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978255417 696352048 /nfs/dbraw/zinc/35/20/48/696352048.db2.gz ZFCMTTMALIMTRH-LUKYLMHMSA-N 2 1 305.466 1.444 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978907469 696474529 /nfs/dbraw/zinc/47/45/29/696474529.db2.gz ODNUXEHOJRINPA-NNZMDNLPSA-N 2 1 319.493 1.977 20 30 DDEDMP C[NH+]=C(NCC[NH2+]C(C)(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000086912431 696566796 /nfs/dbraw/zinc/56/67/96/696566796.db2.gz PUYIIQWHEBTODK-GOOCMWNKSA-N 3 1 309.502 1.555 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981681538 696872841 /nfs/dbraw/zinc/87/28/41/696872841.db2.gz GIYCUUWORBWBRV-QGZVFWFLSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893960 696959335 /nfs/dbraw/zinc/95/93/35/696959335.db2.gz UAPGOJHUEXRLMA-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000981893960 696959337 /nfs/dbraw/zinc/95/93/37/696959337.db2.gz UAPGOJHUEXRLMA-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178025 700126705 /nfs/dbraw/zinc/12/67/05/700126705.db2.gz DTLPVYSCRIRAAJ-OAHLLOKOSA-N 2 1 318.465 1.745 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245081 697072002 /nfs/dbraw/zinc/07/20/02/697072002.db2.gz DMFYSRICYBHPCF-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245081 697072003 /nfs/dbraw/zinc/07/20/03/697072003.db2.gz DMFYSRICYBHPCF-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245081 697072006 /nfs/dbraw/zinc/07/20/06/697072006.db2.gz DMFYSRICYBHPCF-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245081 697072008 /nfs/dbraw/zinc/07/20/08/697072008.db2.gz DMFYSRICYBHPCF-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981515548 697116172 /nfs/dbraw/zinc/11/61/72/697116172.db2.gz SNQFGJOQAUPKFN-UHFFFAOYSA-N 2 1 310.401 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374386 697116839 /nfs/dbraw/zinc/11/68/39/697116839.db2.gz QQDOSXPWKISSGK-HDICACEKSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982374386 697116841 /nfs/dbraw/zinc/11/68/41/697116841.db2.gz QQDOSXPWKISSGK-HDICACEKSA-N 2 1 314.433 1.385 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982556542 697150030 /nfs/dbraw/zinc/15/00/30/697150030.db2.gz HUSVIKWUDUTFQK-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982556542 697150032 /nfs/dbraw/zinc/15/00/32/697150032.db2.gz HUSVIKWUDUTFQK-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@]2(C)C1 ZINC000982556542 697150034 /nfs/dbraw/zinc/15/00/34/697150034.db2.gz HUSVIKWUDUTFQK-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000982998469 697199463 /nfs/dbraw/zinc/19/94/63/697199463.db2.gz GANAQPDESIBXOX-UHFFFAOYSA-N 2 1 323.400 1.439 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000982998469 697199464 /nfs/dbraw/zinc/19/94/64/697199464.db2.gz GANAQPDESIBXOX-UHFFFAOYSA-N 2 1 323.400 1.439 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000985442197 697511689 /nfs/dbraw/zinc/51/16/89/697511689.db2.gz DBWFDJZQFYDUON-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000985442197 697511690 /nfs/dbraw/zinc/51/16/90/697511690.db2.gz DBWFDJZQFYDUON-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000985442197 697511691 /nfs/dbraw/zinc/51/16/91/697511691.db2.gz DBWFDJZQFYDUON-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H]1C ZINC000987271723 698067427 /nfs/dbraw/zinc/06/74/27/698067427.db2.gz ZYOUEJUSIGEZHN-CZUORRHYSA-N 2 1 309.373 1.093 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000303780387 698606164 /nfs/dbraw/zinc/60/61/64/698606164.db2.gz LHLSBFJFEANHQC-HZPDHXFCSA-N 2 1 302.422 1.169 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC000303771974 698606566 /nfs/dbraw/zinc/60/65/66/698606566.db2.gz DEFUTZOZXVOZJQ-MRXNPFEDSA-N 2 1 320.437 1.779 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000303789703 698607184 /nfs/dbraw/zinc/60/71/84/698607184.db2.gz VOTAYIUJWZUUFV-INIZCTEOSA-N 3 1 309.502 1.641 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000303877540 698608000 /nfs/dbraw/zinc/60/80/00/698608000.db2.gz IPTOYTMEYWZQQI-HZPDHXFCSA-N 2 1 323.529 1.886 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303877540 698608004 /nfs/dbraw/zinc/60/80/04/698608004.db2.gz IPTOYTMEYWZQQI-HZPDHXFCSA-N 3 1 323.529 1.886 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000303877540 698608005 /nfs/dbraw/zinc/60/80/05/698608005.db2.gz IPTOYTMEYWZQQI-HZPDHXFCSA-N 3 1 323.529 1.886 20 30 DDEDMP CCC[NH+]1CCC(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000303874757 698608144 /nfs/dbraw/zinc/60/81/44/698608144.db2.gz HHVJNYHYVYITMZ-INIZCTEOSA-N 3 1 309.502 1.497 20 30 DDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cccc(C)c2)CC1 ZINC000303877622 698608327 /nfs/dbraw/zinc/60/83/27/698608327.db2.gz IUSHJPGGIOZJMM-INIZCTEOSA-N 2 1 317.481 1.995 20 30 DDEDMP C=CC[NH+]1CCC(NC(=S)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000729943557 699496003 /nfs/dbraw/zinc/49/60/03/699496003.db2.gz XJNPGFWWBRSVNV-OAHLLOKOSA-N 2 1 310.511 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742118050 699860709 /nfs/dbraw/zinc/86/07/09/699860709.db2.gz HUXBLJPUXMBFKE-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000742118050 699860713 /nfs/dbraw/zinc/86/07/13/699860713.db2.gz HUXBLJPUXMBFKE-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000743489911 699914670 /nfs/dbraw/zinc/91/46/70/699914670.db2.gz LYHAOGNFIZWDLT-GOSISDBHSA-N 2 1 313.445 1.893 20 30 DDEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000762568644 700898619 /nfs/dbraw/zinc/89/86/19/700898619.db2.gz MKUWPOKACYYRGM-QGZVFWFLSA-N 2 1 302.422 1.193 20 30 DDEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762568644 700898620 /nfs/dbraw/zinc/89/86/20/700898620.db2.gz MKUWPOKACYYRGM-QGZVFWFLSA-N 2 1 302.422 1.193 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000763949571 700954769 /nfs/dbraw/zinc/95/47/69/700954769.db2.gz VNQSNUZWLBUBFW-UHFFFAOYSA-N 2 1 301.434 1.757 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000764212697 700964530 /nfs/dbraw/zinc/96/45/30/700964530.db2.gz VBGQBTUTYOXYKZ-UHFFFAOYSA-N 2 1 301.434 1.669 20 30 DDEDMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1cccc(C#N)c1 ZINC000879432993 706678723 /nfs/dbraw/zinc/67/87/23/706678723.db2.gz MJMXPLMEHSNHSJ-UHFFFAOYSA-N 2 1 314.433 1.197 20 30 DDEDMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1cccc(C#N)c1 ZINC000879432993 706678725 /nfs/dbraw/zinc/67/87/25/706678725.db2.gz MJMXPLMEHSNHSJ-UHFFFAOYSA-N 2 1 314.433 1.197 20 30 DDEDMP C[NH+]=C(NCCC[N@H+]1CCCO[C@@H](C)C1)NCc1ccco1 ZINC000849022574 703611854 /nfs/dbraw/zinc/61/18/54/703611854.db2.gz KCIRMKGODAYWKO-AWEZNQCLSA-N 2 1 308.426 1.446 20 30 DDEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852859595 704151299 /nfs/dbraw/zinc/15/12/99/704151299.db2.gz XOLUVKMQSHZULP-MRXNPFEDSA-N 2 1 305.466 1.618 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000856476926 704530213 /nfs/dbraw/zinc/53/02/13/704530213.db2.gz JMOWENHHJLRXRW-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000856476926 704530214 /nfs/dbraw/zinc/53/02/14/704530214.db2.gz JMOWENHHJLRXRW-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000856476926 704530215 /nfs/dbraw/zinc/53/02/15/704530215.db2.gz JMOWENHHJLRXRW-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000856476926 704530216 /nfs/dbraw/zinc/53/02/16/704530216.db2.gz JMOWENHHJLRXRW-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736757 705848457 /nfs/dbraw/zinc/84/84/57/705848457.db2.gz MQVCLQSPXKIMEM-XCCSTKFXSA-N 2 1 301.862 1.939 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000876782445 705875282 /nfs/dbraw/zinc/87/52/82/705875282.db2.gz RELMYNHLJRIMGC-GFCCVEGCSA-N 3 1 323.828 1.242 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000836346291 707443599 /nfs/dbraw/zinc/44/35/99/707443599.db2.gz QDTXIKOKOWFUAU-SJLPKXTDSA-N 2 1 322.497 1.751 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000883131320 707935771 /nfs/dbraw/zinc/93/57/71/707935771.db2.gz VXSCDJKPTJBTGU-GOSISDBHSA-N 2 1 302.418 1.899 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000883131320 707935772 /nfs/dbraw/zinc/93/57/72/707935772.db2.gz VXSCDJKPTJBTGU-GOSISDBHSA-N 2 1 302.418 1.899 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000884040395 708113810 /nfs/dbraw/zinc/11/38/10/708113810.db2.gz SAHVSXBXDHTYCS-AWEZNQCLSA-N 2 1 320.481 1.692 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000884040395 708113812 /nfs/dbraw/zinc/11/38/12/708113812.db2.gz SAHVSXBXDHTYCS-AWEZNQCLSA-N 2 1 320.481 1.692 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000888167887 709231425 /nfs/dbraw/zinc/23/14/25/709231425.db2.gz NKNHLTNBNXAWQA-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000888167887 709231426 /nfs/dbraw/zinc/23/14/26/709231426.db2.gz NKNHLTNBNXAWQA-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000890377518 709846910 /nfs/dbraw/zinc/84/69/10/709846910.db2.gz MYUNEWLUUXKYDE-INIZCTEOSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000890377518 709846917 /nfs/dbraw/zinc/84/69/17/709846917.db2.gz MYUNEWLUUXKYDE-INIZCTEOSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC000896488315 711732087 /nfs/dbraw/zinc/73/20/87/711732087.db2.gz GSOVYDJJFPZINZ-IRXDYDNUSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC000896488315 711732089 /nfs/dbraw/zinc/73/20/89/711732089.db2.gz GSOVYDJJFPZINZ-IRXDYDNUSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000914219422 713361533 /nfs/dbraw/zinc/36/15/33/713361533.db2.gz UMOKETMYCFUKDI-HZPDHXFCSA-N 2 1 304.438 1.010 20 30 DDEDMP N#Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cs1 ZINC000921689854 713844193 /nfs/dbraw/zinc/84/41/93/713844193.db2.gz HZWJCANQZRKXPJ-CYBMUJFWSA-N 2 1 306.435 1.297 20 30 DDEDMP N#Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cs1 ZINC000921689854 713844197 /nfs/dbraw/zinc/84/41/97/713844197.db2.gz HZWJCANQZRKXPJ-CYBMUJFWSA-N 2 1 306.435 1.297 20 30 DDEDMP CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923334968 714318932 /nfs/dbraw/zinc/31/89/32/714318932.db2.gz HPTOJCKFLIUSNP-IRXDYDNUSA-N 2 1 317.433 1.762 20 30 DDEDMP CC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923334969 714319067 /nfs/dbraw/zinc/31/90/67/714319067.db2.gz HPTOJCKFLIUSNP-SJORKVTESA-N 2 1 317.433 1.762 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000926241291 715034480 /nfs/dbraw/zinc/03/44/80/715034480.db2.gz CRXHYTUAHBTCTP-KONPQCLYSA-N 2 1 323.481 1.090 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961263298 716887729 /nfs/dbraw/zinc/88/77/29/716887729.db2.gz SFQDVNWGSRYWTI-SJORKVTESA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940789743 716960916 /nfs/dbraw/zinc/96/09/16/716960916.db2.gz MMUKKLMQDIXKNF-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940789743 716960918 /nfs/dbraw/zinc/96/09/18/716960918.db2.gz MMUKKLMQDIXKNF-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940789743 716960919 /nfs/dbraw/zinc/96/09/19/716960919.db2.gz MMUKKLMQDIXKNF-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980290 717059186 /nfs/dbraw/zinc/05/91/86/717059186.db2.gz QQZWSBFLENBUEK-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980290 717059191 /nfs/dbraw/zinc/05/91/91/717059191.db2.gz QQZWSBFLENBUEK-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980290 717059193 /nfs/dbraw/zinc/05/91/93/717059193.db2.gz QQZWSBFLENBUEK-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223611 717133434 /nfs/dbraw/zinc/13/34/34/717133434.db2.gz HZZPLPZFPXUVMF-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223611 717133430 /nfs/dbraw/zinc/13/34/30/717133430.db2.gz HZZPLPZFPXUVMF-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC000962553123 717508924 /nfs/dbraw/zinc/50/89/24/717508924.db2.gz KVLFFKGJRKPNAV-INDMIFKZSA-N 2 1 323.440 1.036 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC000962553123 717508928 /nfs/dbraw/zinc/50/89/28/717508928.db2.gz KVLFFKGJRKPNAV-INDMIFKZSA-N 2 1 323.440 1.036 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536728 718822756 /nfs/dbraw/zinc/82/27/56/718822756.db2.gz WBKHITDKVZNVIE-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]2C1 ZINC000946536728 718822764 /nfs/dbraw/zinc/82/27/64/718822764.db2.gz WBKHITDKVZNVIE-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536728 718822768 /nfs/dbraw/zinc/82/27/68/718822768.db2.gz WBKHITDKVZNVIE-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]2C1 ZINC000946536728 718822776 /nfs/dbraw/zinc/82/27/76/718822776.db2.gz WBKHITDKVZNVIE-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623561 718856449 /nfs/dbraw/zinc/85/64/49/718856449.db2.gz MJEHVRSDGLXZJZ-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551197 719208408 /nfs/dbraw/zinc/20/84/08/719208408.db2.gz GUFMFCODYJYSTH-HOCLYGCPSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000947776628 719267054 /nfs/dbraw/zinc/26/70/54/719267054.db2.gz XJNPVADHHZDRSB-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CC)[C@@H](C)C2)CC1 ZINC000948069747 719349663 /nfs/dbraw/zinc/34/96/63/719349663.db2.gz KAZZEOMZMPYOQD-FUHWJXTLSA-N 2 1 315.461 1.324 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000948269649 719424765 /nfs/dbraw/zinc/42/47/65/719424765.db2.gz PZQBZWZLUFXCSQ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269649 719424768 /nfs/dbraw/zinc/42/47/68/719424768.db2.gz PZQBZWZLUFXCSQ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269649 719424770 /nfs/dbraw/zinc/42/47/70/719424770.db2.gz PZQBZWZLUFXCSQ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948269649 719424772 /nfs/dbraw/zinc/42/47/72/719424772.db2.gz PZQBZWZLUFXCSQ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269649 719424774 /nfs/dbraw/zinc/42/47/74/719424774.db2.gz PZQBZWZLUFXCSQ-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP CC(C)[N@H+](C)Cc1nn(-c2cncc(C#N)n2)c2c1CC[NH2+]C2 ZINC001164682222 719610974 /nfs/dbraw/zinc/61/09/74/719610974.db2.gz BURAPOOJDXBLHG-UHFFFAOYSA-N 2 1 311.393 1.020 20 30 DDEDMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(C#N)n2)c2c1CC[NH2+]C2 ZINC001164682222 719610980 /nfs/dbraw/zinc/61/09/80/719610980.db2.gz BURAPOOJDXBLHG-UHFFFAOYSA-N 2 1 311.393 1.020 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCCC)CC[C@@H]2C)CC1 ZINC000968680761 719732797 /nfs/dbraw/zinc/73/27/97/719732797.db2.gz DFMVKULNISPAON-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000968683037 719734584 /nfs/dbraw/zinc/73/45/84/719734584.db2.gz XOXJQFKDJWLBPQ-SJLPKXTDSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998186 719917766 /nfs/dbraw/zinc/91/77/66/719917766.db2.gz OIUZRXYAQDAWCT-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000969836913 720527011 /nfs/dbraw/zinc/52/70/11/720527011.db2.gz OXKHGFTYNBDYGM-UKRRQHHQSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023550746 735306281 /nfs/dbraw/zinc/30/62/81/735306281.db2.gz LARGGRPNZDMAJV-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550746 735306282 /nfs/dbraw/zinc/30/62/82/735306282.db2.gz LARGGRPNZDMAJV-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550746 735306284 /nfs/dbraw/zinc/30/62/84/735306284.db2.gz LARGGRPNZDMAJV-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552965 735307563 /nfs/dbraw/zinc/30/75/63/735307563.db2.gz SARNLMTUFAQWCO-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552965 735307567 /nfs/dbraw/zinc/30/75/67/735307567.db2.gz SARNLMTUFAQWCO-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552965 735307572 /nfs/dbraw/zinc/30/75/72/735307572.db2.gz SARNLMTUFAQWCO-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001023557012 735310442 /nfs/dbraw/zinc/31/04/42/735310442.db2.gz RXPJJAWYVPHJFJ-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557012 735310444 /nfs/dbraw/zinc/31/04/44/735310444.db2.gz RXPJJAWYVPHJFJ-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557012 735310447 /nfs/dbraw/zinc/31/04/47/735310447.db2.gz RXPJJAWYVPHJFJ-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001023760403 735449170 /nfs/dbraw/zinc/44/91/70/735449170.db2.gz VHXBYTBDWGDPDP-QGZVFWFLSA-N 2 1 319.493 1.960 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001020722691 732645440 /nfs/dbraw/zinc/64/54/40/732645440.db2.gz SATSVKRZWZHXRS-TUVASFSCSA-N 2 1 311.857 1.993 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001020827384 732700717 /nfs/dbraw/zinc/70/07/17/732700717.db2.gz KTYHCEQZUPZJNB-SHTZXODSSA-N 2 1 311.389 1.694 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173013 733082683 /nfs/dbraw/zinc/08/26/83/733082683.db2.gz LALFKAWDDGWKJZ-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173013 733082686 /nfs/dbraw/zinc/08/26/86/733082686.db2.gz LALFKAWDDGWKJZ-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173013 733082690 /nfs/dbraw/zinc/08/26/90/733082690.db2.gz LALFKAWDDGWKJZ-ZWKOTPCHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001021621630 733377378 /nfs/dbraw/zinc/37/73/78/733377378.db2.gz CGEYWLCWXTWBSQ-WMZOPIPTSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121102293 782356082 /nfs/dbraw/zinc/35/60/82/782356082.db2.gz DEGZTTOEEOSQMF-APUKJBRXSA-N 2 1 317.477 1.900 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121134176 782372577 /nfs/dbraw/zinc/37/25/77/782372577.db2.gz WLFVRJZOYBJZQW-ZHIXCNEBSA-N 2 1 303.450 1.367 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414285 735220251 /nfs/dbraw/zinc/22/02/51/735220251.db2.gz PQEBRRDZKYQQNC-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414285 735220254 /nfs/dbraw/zinc/22/02/54/735220254.db2.gz PQEBRRDZKYQQNC-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414285 735220258 /nfs/dbraw/zinc/22/02/58/735220258.db2.gz PQEBRRDZKYQQNC-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453890 735245229 /nfs/dbraw/zinc/24/52/29/735245229.db2.gz KCSHJGFSLMRSKM-CQSZACIVSA-N 2 1 320.437 1.754 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453890 735245233 /nfs/dbraw/zinc/24/52/33/735245233.db2.gz KCSHJGFSLMRSKM-CQSZACIVSA-N 2 1 320.437 1.754 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001024517330 735895368 /nfs/dbraw/zinc/89/53/68/735895368.db2.gz SQKIVMPKVKBEEW-JKSUJKDBSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712293 736038713 /nfs/dbraw/zinc/03/87/13/736038713.db2.gz SXNMFAJQNDFWNS-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001025274612 736402736 /nfs/dbraw/zinc/40/27/36/736402736.db2.gz LBXCZUQNOQPKKF-HZPDHXFCSA-N 2 1 302.422 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025782067 736851466 /nfs/dbraw/zinc/85/14/66/736851466.db2.gz YELPHDLCMRDFLX-IGKNDFSCSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025782067 736851470 /nfs/dbraw/zinc/85/14/70/736851470.db2.gz YELPHDLCMRDFLX-IGKNDFSCSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025782067 736851473 /nfs/dbraw/zinc/85/14/73/736851473.db2.gz YELPHDLCMRDFLX-IGKNDFSCSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007745118 737000885 /nfs/dbraw/zinc/00/08/85/737000885.db2.gz KMGZRZHCYPKSEC-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007745118 737000888 /nfs/dbraw/zinc/00/08/88/737000888.db2.gz KMGZRZHCYPKSEC-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]12 ZINC001026285224 737297694 /nfs/dbraw/zinc/29/76/94/737297694.db2.gz YGTBWJTVNXJTIW-HYVNUMGLSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037180 738957796 /nfs/dbraw/zinc/95/77/96/738957796.db2.gz QEAKNWIATXYEMX-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037180 738957797 /nfs/dbraw/zinc/95/77/97/738957797.db2.gz QEAKNWIATXYEMX-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037180 738957799 /nfs/dbraw/zinc/95/77/99/738957799.db2.gz QEAKNWIATXYEMX-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001032581369 751389888 /nfs/dbraw/zinc/38/98/88/751389888.db2.gz SEAPFUOKUMACDB-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001032581369 751389894 /nfs/dbraw/zinc/38/98/94/751389894.db2.gz SEAPFUOKUMACDB-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001032581369 751389899 /nfs/dbraw/zinc/38/98/99/751389899.db2.gz SEAPFUOKUMACDB-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=C)Cl)CC1 ZINC001026508172 737626630 /nfs/dbraw/zinc/62/66/30/737626630.db2.gz HCBJMFMSWGUWGE-GPANFISMSA-N 2 1 323.868 1.854 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=C)Cl)CC1 ZINC001026508172 737626634 /nfs/dbraw/zinc/62/66/34/737626634.db2.gz HCBJMFMSWGUWGE-GPANFISMSA-N 2 1 323.868 1.854 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027505780 738358854 /nfs/dbraw/zinc/35/88/54/738358854.db2.gz PZXBAQRRQOSDGW-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041357829 739063321 /nfs/dbraw/zinc/06/33/21/739063321.db2.gz JDHSDYNTFWHBGS-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041357829 739063325 /nfs/dbraw/zinc/06/33/25/739063325.db2.gz JDHSDYNTFWHBGS-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041357829 739063328 /nfs/dbraw/zinc/06/33/28/739063328.db2.gz JDHSDYNTFWHBGS-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137824 739080146 /nfs/dbraw/zinc/08/01/46/739080146.db2.gz NFBVGFYNHYPUQF-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137824 739080150 /nfs/dbraw/zinc/08/01/50/739080150.db2.gz NFBVGFYNHYPUQF-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001028343880 739378114 /nfs/dbraw/zinc/37/81/14/739378114.db2.gz SWQKFVPCPPOXJC-HNNXBMFYSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001028600814 739778432 /nfs/dbraw/zinc/77/84/32/739778432.db2.gz DPTQPNMHGQGTLO-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001028600814 739778436 /nfs/dbraw/zinc/77/84/36/739778436.db2.gz DPTQPNMHGQGTLO-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001028600814 739778439 /nfs/dbraw/zinc/77/84/39/739778439.db2.gz DPTQPNMHGQGTLO-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028600814 739778444 /nfs/dbraw/zinc/77/84/44/739778444.db2.gz DPTQPNMHGQGTLO-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028600814 739778447 /nfs/dbraw/zinc/77/84/47/739778447.db2.gz DPTQPNMHGQGTLO-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766385 740011628 /nfs/dbraw/zinc/01/16/28/740011628.db2.gz QUHYOQOSNMSCCY-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766385 740011638 /nfs/dbraw/zinc/01/16/38/740011638.db2.gz QUHYOQOSNMSCCY-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028996171 740241754 /nfs/dbraw/zinc/24/17/54/740241754.db2.gz BHMOUINROSWUNK-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028996171 740241756 /nfs/dbraw/zinc/24/17/56/740241756.db2.gz BHMOUINROSWUNK-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996171 740241758 /nfs/dbraw/zinc/24/17/58/740241758.db2.gz BHMOUINROSWUNK-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996171 740241759 /nfs/dbraw/zinc/24/17/59/740241759.db2.gz BHMOUINROSWUNK-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996171 740241761 /nfs/dbraw/zinc/24/17/61/740241761.db2.gz BHMOUINROSWUNK-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001028996169 740241970 /nfs/dbraw/zinc/24/19/70/740241970.db2.gz BHMOUINROSWUNK-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028996169 740241972 /nfs/dbraw/zinc/24/19/72/740241972.db2.gz BHMOUINROSWUNK-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996169 740241976 /nfs/dbraw/zinc/24/19/76/740241976.db2.gz BHMOUINROSWUNK-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996169 740241977 /nfs/dbraw/zinc/24/19/77/740241977.db2.gz BHMOUINROSWUNK-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996169 740241980 /nfs/dbraw/zinc/24/19/80/740241980.db2.gz BHMOUINROSWUNK-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573880 740660096 /nfs/dbraw/zinc/66/00/96/740660096.db2.gz IMMVGHPMLXDXAG-IXDOHACOSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)[C@H]1CC ZINC001087602173 740672759 /nfs/dbraw/zinc/67/27/59/740672759.db2.gz CEHLBDQFDAPUTH-ZNMIVQPWSA-N 2 1 300.406 1.363 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087602173 740672760 /nfs/dbraw/zinc/67/27/60/740672760.db2.gz CEHLBDQFDAPUTH-ZNMIVQPWSA-N 2 1 300.406 1.363 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087985785 740918393 /nfs/dbraw/zinc/91/83/93/740918393.db2.gz DTBLEFKHIJTQBA-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985785 740918398 /nfs/dbraw/zinc/91/83/98/740918398.db2.gz DTBLEFKHIJTQBA-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985785 740918405 /nfs/dbraw/zinc/91/84/05/740918405.db2.gz DTBLEFKHIJTQBA-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088129209 741050077 /nfs/dbraw/zinc/05/00/77/741050077.db2.gz BPNJELIPIMQCPZ-SJORKVTESA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@@H]2C1 ZINC001088208155 741108449 /nfs/dbraw/zinc/10/84/49/741108449.db2.gz OBYAZLNUHQRFNZ-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208155 741108451 /nfs/dbraw/zinc/10/84/51/741108451.db2.gz OBYAZLNUHQRFNZ-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]2C1 ZINC001088208155 741108455 /nfs/dbraw/zinc/10/84/55/741108455.db2.gz OBYAZLNUHQRFNZ-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208155 741108461 /nfs/dbraw/zinc/10/84/61/741108461.db2.gz OBYAZLNUHQRFNZ-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]2C1 ZINC001088208155 741108465 /nfs/dbraw/zinc/10/84/65/741108465.db2.gz OBYAZLNUHQRFNZ-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1 ZINC001088329455 741392896 /nfs/dbraw/zinc/39/28/96/741392896.db2.gz YAHYSJMVVIIWEJ-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1 ZINC001088329455 741392901 /nfs/dbraw/zinc/39/29/01/741392901.db2.gz YAHYSJMVVIIWEJ-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230340 742049996 /nfs/dbraw/zinc/04/99/96/742049996.db2.gz BDILISZQJHMUTJ-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088693315 742177924 /nfs/dbraw/zinc/17/79/24/742177924.db2.gz UTGFZCLEBFYMKZ-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088693315 742177927 /nfs/dbraw/zinc/17/79/27/742177927.db2.gz UTGFZCLEBFYMKZ-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088693315 742177929 /nfs/dbraw/zinc/17/79/29/742177929.db2.gz UTGFZCLEBFYMKZ-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088693315 742177932 /nfs/dbraw/zinc/17/79/32/742177932.db2.gz UTGFZCLEBFYMKZ-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035668627 751774348 /nfs/dbraw/zinc/77/43/48/751774348.db2.gz ITVKYVZHYNLBIA-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001181941744 743401972 /nfs/dbraw/zinc/40/19/72/743401972.db2.gz NPYTYQYBRCCXOC-CRAIPNDOSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183254840 743810480 /nfs/dbraw/zinc/81/04/80/743810480.db2.gz HJIOGKPUTUHDAV-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183867355 743928449 /nfs/dbraw/zinc/92/84/49/743928449.db2.gz BBWOIZINUFIRAZ-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470146 744228552 /nfs/dbraw/zinc/22/85/52/744228552.db2.gz OEJZHPKMSXSYHV-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470146 744228556 /nfs/dbraw/zinc/22/85/56/744228556.db2.gz OEJZHPKMSXSYHV-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860639 744244369 /nfs/dbraw/zinc/24/43/69/744244369.db2.gz VCVAMLBJAOSGAU-JKIFEVAISA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860639 744244370 /nfs/dbraw/zinc/24/43/70/744244370.db2.gz VCVAMLBJAOSGAU-JKIFEVAISA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860639 744244373 /nfs/dbraw/zinc/24/43/73/744244373.db2.gz VCVAMLBJAOSGAU-JKIFEVAISA-N 2 1 311.445 1.964 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992283749 744748980 /nfs/dbraw/zinc/74/89/80/744748980.db2.gz LBDFKVNQWDOONQ-MJGOQNOKSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992497523 744919739 /nfs/dbraw/zinc/91/97/39/744919739.db2.gz PFNQGEOVKUQARL-ZMSDIMECSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992497523 744919742 /nfs/dbraw/zinc/91/97/42/744919742.db2.gz PFNQGEOVKUQARL-ZMSDIMECSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992497523 744919744 /nfs/dbraw/zinc/91/97/44/744919744.db2.gz PFNQGEOVKUQARL-ZMSDIMECSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992497523 744919747 /nfs/dbraw/zinc/91/97/47/744919747.db2.gz PFNQGEOVKUQARL-ZMSDIMECSA-N 2 1 307.438 1.006 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084979 745107354 /nfs/dbraw/zinc/10/73/54/745107354.db2.gz VBHKHFBKRINILT-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084979 745107355 /nfs/dbraw/zinc/10/73/55/745107355.db2.gz VBHKHFBKRINILT-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084979 745107356 /nfs/dbraw/zinc/10/73/56/745107356.db2.gz VBHKHFBKRINILT-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106147989 745123707 /nfs/dbraw/zinc/12/37/07/745123707.db2.gz ATJIGLOBMLCKDV-NMFUWQPSSA-N 2 1 313.873 1.763 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190910450 745381887 /nfs/dbraw/zinc/38/18/87/745381887.db2.gz JEOLSUAFMPFYJB-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106594505 745820878 /nfs/dbraw/zinc/82/08/78/745820878.db2.gz SQLIBDZZZFHMJE-VNQPRFMTSA-N 2 1 316.449 1.624 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099240238 745840957 /nfs/dbraw/zinc/84/09/57/745840957.db2.gz PCKJHFAKMFSLGU-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240238 745840964 /nfs/dbraw/zinc/84/09/64/745840964.db2.gz PCKJHFAKMFSLGU-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099240238 745840967 /nfs/dbraw/zinc/84/09/67/745840967.db2.gz PCKJHFAKMFSLGU-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667410 745886650 /nfs/dbraw/zinc/88/66/50/745886650.db2.gz YIHKTVLQDBGCBW-FVQBIDKESA-N 2 1 314.433 1.071 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3n2)C1 ZINC001192848356 745915125 /nfs/dbraw/zinc/91/51/25/745915125.db2.gz VQGTXKXTVGAVBH-QGZVFWFLSA-N 2 1 324.428 1.741 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCCF)C2)CC1 ZINC001194246266 746320307 /nfs/dbraw/zinc/32/03/07/746320307.db2.gz KFAHAJFGADAVLU-MRXNPFEDSA-N 2 1 309.429 1.224 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993992854 746413655 /nfs/dbraw/zinc/41/36/55/746413655.db2.gz XDNRGPODXPENQU-HOCLYGCPSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994491164 746686862 /nfs/dbraw/zinc/68/68/62/746686862.db2.gz XPJKUJPYSKBWTO-YJBOKZPZSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089620841 747483954 /nfs/dbraw/zinc/48/39/54/747483954.db2.gz HGNLCOBGDFNAAG-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089620841 747483959 /nfs/dbraw/zinc/48/39/59/747483959.db2.gz HGNLCOBGDFNAAG-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089620841 747483965 /nfs/dbraw/zinc/48/39/65/747483965.db2.gz HGNLCOBGDFNAAG-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089620841 747483971 /nfs/dbraw/zinc/48/39/71/747483971.db2.gz HGNLCOBGDFNAAG-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727803 747567328 /nfs/dbraw/zinc/56/73/28/747567328.db2.gz UOBSBBJIMNNDQP-KRWDZBQOSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099520242 748254683 /nfs/dbraw/zinc/25/46/83/748254683.db2.gz MCUUCYLKFIPPKE-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036204079 752257301 /nfs/dbraw/zinc/25/73/01/752257301.db2.gz DOBYGNKLVSWTPI-CABCVRRESA-N 2 1 302.422 1.466 20 30 DDEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031977678 748345013 /nfs/dbraw/zinc/34/50/13/748345013.db2.gz GFVZNUPIVATEBU-HNNXBMFYSA-N 2 1 302.422 1.378 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201403567 748499279 /nfs/dbraw/zinc/49/92/79/748499279.db2.gz MIMYTCSBCZCDNS-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143856 748535186 /nfs/dbraw/zinc/53/51/86/748535186.db2.gz MWFBDIHQZZTCTD-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143856 748535194 /nfs/dbraw/zinc/53/51/94/748535194.db2.gz MWFBDIHQZZTCTD-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143856 748535199 /nfs/dbraw/zinc/53/51/99/748535199.db2.gz MWFBDIHQZZTCTD-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033146125 748563843 /nfs/dbraw/zinc/56/38/43/748563843.db2.gz NRUMSSMRNAVRGU-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033146125 748563844 /nfs/dbraw/zinc/56/38/44/748563844.db2.gz NRUMSSMRNAVRGU-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059047 748672898 /nfs/dbraw/zinc/67/28/98/748672898.db2.gz OMKOPLUKZGXYHF-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148136 748697304 /nfs/dbraw/zinc/69/73/04/748697304.db2.gz QARITJZWZXCIIF-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001033181635 748824442 /nfs/dbraw/zinc/82/44/42/748824442.db2.gz IJJWSHSKRWUXSQ-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)C[C@@H](C)O1)C2 ZINC001110710184 748924999 /nfs/dbraw/zinc/92/49/99/748924999.db2.gz ZUHLIUDUTRVEGM-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001110710184 748925005 /nfs/dbraw/zinc/92/50/05/748925005.db2.gz ZUHLIUDUTRVEGM-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001110710184 748925008 /nfs/dbraw/zinc/92/50/08/748925008.db2.gz ZUHLIUDUTRVEGM-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110710184 748925015 /nfs/dbraw/zinc/92/50/15/748925015.db2.gz ZUHLIUDUTRVEGM-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001110710184 748925021 /nfs/dbraw/zinc/92/50/21/748925021.db2.gz ZUHLIUDUTRVEGM-OVYGPGRDSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033210267 748929140 /nfs/dbraw/zinc/92/91/40/748929140.db2.gz FNZVFCYBHOVUCB-HZPDHXFCSA-N 2 1 316.449 1.944 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296273 749137691 /nfs/dbraw/zinc/13/76/91/749137691.db2.gz SCVBNGYFUHRYQL-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001039387038 761986454 /nfs/dbraw/zinc/98/64/54/761986454.db2.gz OPJPRMLLGBHBJW-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039387038 761986460 /nfs/dbraw/zinc/98/64/60/761986460.db2.gz OPJPRMLLGBHBJW-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001039387038 761986465 /nfs/dbraw/zinc/98/64/65/761986465.db2.gz OPJPRMLLGBHBJW-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855157 749993210 /nfs/dbraw/zinc/99/32/10/749993210.db2.gz HRDKQUNJUYBPTJ-HOTGVXAUSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033855157 749993214 /nfs/dbraw/zinc/99/32/14/749993214.db2.gz HRDKQUNJUYBPTJ-HOTGVXAUSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877253 750015620 /nfs/dbraw/zinc/01/56/20/750015620.db2.gz HTNHBNGPFHWLMW-MRXNPFEDSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877253 750015628 /nfs/dbraw/zinc/01/56/28/750015628.db2.gz HTNHBNGPFHWLMW-MRXNPFEDSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095532698 750018636 /nfs/dbraw/zinc/01/86/36/750018636.db2.gz MENPMHCCRVWZAY-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095532698 750018643 /nfs/dbraw/zinc/01/86/43/750018643.db2.gz MENPMHCCRVWZAY-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001095532698 750018648 /nfs/dbraw/zinc/01/86/48/750018648.db2.gz MENPMHCCRVWZAY-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107520645 750083270 /nfs/dbraw/zinc/08/32/70/750083270.db2.gz AVEJFSXBCSIOEK-NVXWUHKLSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001005497719 750266569 /nfs/dbraw/zinc/26/65/69/750266569.db2.gz QCNVMZRWZMPSLF-INIZCTEOSA-N 2 1 314.433 1.707 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001034048677 750317167 /nfs/dbraw/zinc/31/71/67/750317167.db2.gz RZKKJRYGYJISPT-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048677 750317171 /nfs/dbraw/zinc/31/71/71/750317171.db2.gz RZKKJRYGYJISPT-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034048677 750317177 /nfs/dbraw/zinc/31/71/77/750317177.db2.gz RZKKJRYGYJISPT-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034048677 750317179 /nfs/dbraw/zinc/31/71/79/750317179.db2.gz RZKKJRYGYJISPT-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048677 750317186 /nfs/dbraw/zinc/31/71/86/750317186.db2.gz RZKKJRYGYJISPT-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812463 750469064 /nfs/dbraw/zinc/46/90/64/750469064.db2.gz NADHRCLCRWBPOO-OWSLCNJRSA-N 2 1 315.461 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812463 750469067 /nfs/dbraw/zinc/46/90/67/750469067.db2.gz NADHRCLCRWBPOO-OWSLCNJRSA-N 2 1 315.461 1.606 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034484757 750489976 /nfs/dbraw/zinc/48/99/76/750489976.db2.gz NQIYOGOZENKFEZ-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001034662389 750643680 /nfs/dbraw/zinc/64/36/80/750643680.db2.gz HDJMAOVPIFABFZ-KKUMJFAQSA-N 2 1 300.406 1.411 20 30 DDEDMP C#CCCN1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941660 750742788 /nfs/dbraw/zinc/74/27/88/750742788.db2.gz KREKZTULGZASOP-SJLPKXTDSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941660 750742793 /nfs/dbraw/zinc/74/27/93/750742793.db2.gz KREKZTULGZASOP-SJLPKXTDSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941660 750742795 /nfs/dbraw/zinc/74/27/95/750742795.db2.gz KREKZTULGZASOP-SJLPKXTDSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107941660 750742805 /nfs/dbraw/zinc/74/28/05/750742805.db2.gz KREKZTULGZASOP-SJLPKXTDSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488949 751036464 /nfs/dbraw/zinc/03/64/64/751036464.db2.gz KMSBTVPOOYJIGE-HOTGVXAUSA-N 2 1 308.385 1.565 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488949 751036468 /nfs/dbraw/zinc/03/64/68/751036468.db2.gz KMSBTVPOOYJIGE-HOTGVXAUSA-N 2 1 308.385 1.565 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035245602 751326345 /nfs/dbraw/zinc/32/63/45/751326345.db2.gz VKVDBXDQHOFMEK-UHFFFAOYSA-N 2 1 315.461 1.420 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000715561 762124559 /nfs/dbraw/zinc/12/45/59/762124559.db2.gz SKLSKAXKJWLMGV-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715561 762124561 /nfs/dbraw/zinc/12/45/61/762124561.db2.gz SKLSKAXKJWLMGV-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715561 762124563 /nfs/dbraw/zinc/12/45/63/762124563.db2.gz SKLSKAXKJWLMGV-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999350707 752854368 /nfs/dbraw/zinc/85/43/68/752854368.db2.gz AKUGMDRQRFGQCV-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001008878996 752958580 /nfs/dbraw/zinc/95/85/80/752958580.db2.gz BLKZQKZXECEXRL-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009043412 753047001 /nfs/dbraw/zinc/04/70/01/753047001.db2.gz BFXRDTLSMSTAIH-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005883140 753302464 /nfs/dbraw/zinc/30/24/64/753302464.db2.gz FIROTYASHUWKHC-HOTGVXAUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023069 753568530 /nfs/dbraw/zinc/56/85/30/753568530.db2.gz RTZAXZOHKQQZNO-WBVHZDCISA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006118669 753611973 /nfs/dbraw/zinc/61/19/73/753611973.db2.gz JMMDGLQCRZXPIS-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001000837308 762249163 /nfs/dbraw/zinc/24/91/63/762249163.db2.gz BHLTZHHIOWFZFD-UHFFFAOYSA-N 2 1 315.461 1.634 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001000843385 762256000 /nfs/dbraw/zinc/25/60/00/762256000.db2.gz WTKGOIAZWLPBIF-UHFFFAOYSA-N 2 1 303.450 1.797 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001000845822 762260736 /nfs/dbraw/zinc/26/07/36/762260736.db2.gz YMXKZFRTOJKEPS-UHFFFAOYSA-N 2 1 308.385 1.948 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001079848529 755621098 /nfs/dbraw/zinc/62/10/98/755621098.db2.gz AKTKBUCJUXEMRI-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848529 755621099 /nfs/dbraw/zinc/62/10/99/755621099.db2.gz AKTKBUCJUXEMRI-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848529 755621100 /nfs/dbraw/zinc/62/11/00/755621100.db2.gz AKTKBUCJUXEMRI-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001083085935 757127346 /nfs/dbraw/zinc/12/73/46/757127346.db2.gz UTIAQUQYXLIZKA-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085935 757127352 /nfs/dbraw/zinc/12/73/52/757127352.db2.gz UTIAQUQYXLIZKA-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001083085935 757127362 /nfs/dbraw/zinc/12/73/62/757127362.db2.gz UTIAQUQYXLIZKA-WCXIOVBPSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016632730 757221382 /nfs/dbraw/zinc/22/13/82/757221382.db2.gz UCKGZNCMTMJQLY-BZUAXINKSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016650730 757234366 /nfs/dbraw/zinc/23/43/66/757234366.db2.gz BGSMXQZQDLALIL-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001097720864 757413990 /nfs/dbraw/zinc/41/39/90/757413990.db2.gz GGUSLWJCWCESCG-SIRPWMCASA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001097720864 757413996 /nfs/dbraw/zinc/41/39/96/757413996.db2.gz GGUSLWJCWCESCG-SIRPWMCASA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545927 762588343 /nfs/dbraw/zinc/58/83/43/762588343.db2.gz YPVSDXRQNCUMCC-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545927 762588344 /nfs/dbraw/zinc/58/83/44/762588344.db2.gz YPVSDXRQNCUMCC-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545927 762588348 /nfs/dbraw/zinc/58/83/48/762588348.db2.gz YPVSDXRQNCUMCC-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550139 758017450 /nfs/dbraw/zinc/01/74/50/758017450.db2.gz RPAKDSOMAUQXKV-VVLHAWIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550139 758017457 /nfs/dbraw/zinc/01/74/57/758017457.db2.gz RPAKDSOMAUQXKV-VVLHAWIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550139 758017464 /nfs/dbraw/zinc/01/74/64/758017464.db2.gz RPAKDSOMAUQXKV-VVLHAWIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550139 758017472 /nfs/dbraw/zinc/01/74/72/758017472.db2.gz RPAKDSOMAUQXKV-VVLHAWIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550139 758017479 /nfs/dbraw/zinc/01/74/79/758017479.db2.gz RPAKDSOMAUQXKV-VVLHAWIVSA-N 2 1 303.450 1.722 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964873 758106152 /nfs/dbraw/zinc/10/61/52/758106152.db2.gz VQWBQCMSAHFKDI-IKGGRYGDSA-N 2 1 305.466 1.519 20 30 DDEDMP C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017657719 758126635 /nfs/dbraw/zinc/12/66/35/758126635.db2.gz DACROYFDCWIBKO-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017657719 758126641 /nfs/dbraw/zinc/12/66/41/758126641.db2.gz DACROYFDCWIBKO-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017657719 758126645 /nfs/dbraw/zinc/12/66/45/758126645.db2.gz DACROYFDCWIBKO-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017657719 758126650 /nfs/dbraw/zinc/12/66/50/758126650.db2.gz DACROYFDCWIBKO-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001017657719 758126657 /nfs/dbraw/zinc/12/66/57/758126657.db2.gz DACROYFDCWIBKO-ZJPYXAASSA-N 2 1 315.461 1.702 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075113 758202095 /nfs/dbraw/zinc/20/20/95/758202095.db2.gz RDLULGIOIAVLDA-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075113 758202103 /nfs/dbraw/zinc/20/21/03/758202103.db2.gz RDLULGIOIAVLDA-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075113 758202110 /nfs/dbraw/zinc/20/21/10/758202110.db2.gz RDLULGIOIAVLDA-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCN1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822088 758851652 /nfs/dbraw/zinc/85/16/52/758851652.db2.gz GALBCIICKDKVGU-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822088 758851676 /nfs/dbraw/zinc/85/16/76/758851676.db2.gz GALBCIICKDKVGU-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085224607 759168863 /nfs/dbraw/zinc/16/88/63/759168863.db2.gz MXTSVSNRXYOSJV-GVDBMIGSSA-N 2 1 305.466 1.615 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153670 759235762 /nfs/dbraw/zinc/23/57/62/759235762.db2.gz WILJYUMAIXEAJM-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153670 759235766 /nfs/dbraw/zinc/23/57/66/759235766.db2.gz WILJYUMAIXEAJM-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054153670 759235770 /nfs/dbraw/zinc/23/57/70/759235770.db2.gz WILJYUMAIXEAJM-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240165 759331633 /nfs/dbraw/zinc/33/16/33/759331633.db2.gz NTAADJAGDSMCNG-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054240165 759331642 /nfs/dbraw/zinc/33/16/42/759331642.db2.gz NTAADJAGDSMCNG-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054240165 759331651 /nfs/dbraw/zinc/33/16/51/759331651.db2.gz NTAADJAGDSMCNG-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCF)CC1 ZINC001085986607 760656979 /nfs/dbraw/zinc/65/69/79/760656979.db2.gz IQRPFBDXVSYALP-INIZCTEOSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086087248 760947103 /nfs/dbraw/zinc/94/71/03/760947103.db2.gz UIFIBRNJYFKZMS-YESZJQIVSA-N 2 1 317.477 1.759 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038707114 761309409 /nfs/dbraw/zinc/30/94/09/761309409.db2.gz VONMLHZLYBZOPT-AWEZNQCLSA-N 2 1 318.421 1.651 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038707114 761309414 /nfs/dbraw/zinc/30/94/14/761309414.db2.gz VONMLHZLYBZOPT-AWEZNQCLSA-N 2 1 318.421 1.651 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082440 761596293 /nfs/dbraw/zinc/59/62/93/761596293.db2.gz BRKYPJMMYZOJCS-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082440 761596300 /nfs/dbraw/zinc/59/63/00/761596300.db2.gz BRKYPJMMYZOJCS-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082440 761596306 /nfs/dbraw/zinc/59/63/06/761596306.db2.gz BRKYPJMMYZOJCS-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243307 761880632 /nfs/dbraw/zinc/88/06/32/761880632.db2.gz UINJIEVKBQDLTK-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040912543 762732147 /nfs/dbraw/zinc/73/21/47/762732147.db2.gz QDVNQUUEXNXCGP-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001115306106 762804241 /nfs/dbraw/zinc/80/42/41/762804241.db2.gz IVUODTGZYCMJCI-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001115306106 762804246 /nfs/dbraw/zinc/80/42/46/762804246.db2.gz IVUODTGZYCMJCI-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001115306106 762804252 /nfs/dbraw/zinc/80/42/52/762804252.db2.gz IVUODTGZYCMJCI-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001001574474 762972001 /nfs/dbraw/zinc/97/20/01/762972001.db2.gz RBZOKPSUPWKVMT-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC#CC)C2)C1 ZINC001041366725 762982681 /nfs/dbraw/zinc/98/26/81/762982681.db2.gz AIXGQRFLTPMJMF-PKOBYXMFSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC#CC)C2)C1 ZINC001041366725 762982686 /nfs/dbraw/zinc/98/26/86/762982686.db2.gz AIXGQRFLTPMJMF-PKOBYXMFSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC#CC)C2)C1 ZINC001041366725 762982688 /nfs/dbraw/zinc/98/26/88/762982688.db2.gz AIXGQRFLTPMJMF-PKOBYXMFSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC#CC)C2)C1 ZINC001041366725 762982692 /nfs/dbraw/zinc/98/26/92/762982692.db2.gz AIXGQRFLTPMJMF-PKOBYXMFSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001041441441 763034180 /nfs/dbraw/zinc/03/41/80/763034180.db2.gz YPIMUZXBOOFPRF-GOSISDBHSA-N 2 1 315.461 1.563 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041677661 763216711 /nfs/dbraw/zinc/21/67/11/763216711.db2.gz DOPSVRMKNXGUGQ-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041677661 763216719 /nfs/dbraw/zinc/21/67/19/763216719.db2.gz DOPSVRMKNXGUGQ-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041677661 763216726 /nfs/dbraw/zinc/21/67/26/763216726.db2.gz DOPSVRMKNXGUGQ-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726107 763259390 /nfs/dbraw/zinc/25/93/90/763259390.db2.gz UCQQPJCGNQBPEK-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837362 763393074 /nfs/dbraw/zinc/39/30/74/763393074.db2.gz GEVYEUICPUZVDX-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837362 763393081 /nfs/dbraw/zinc/39/30/81/763393081.db2.gz GEVYEUICPUZVDX-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837362 763393090 /nfs/dbraw/zinc/39/30/90/763393090.db2.gz GEVYEUICPUZVDX-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837362 763393096 /nfs/dbraw/zinc/39/30/96/763393096.db2.gz GEVYEUICPUZVDX-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169982122 763419081 /nfs/dbraw/zinc/41/90/81/763419081.db2.gz JLQABXVGIPVPEP-KGLIPLIRSA-N 2 1 317.861 1.334 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169982122 763419085 /nfs/dbraw/zinc/41/90/85/763419085.db2.gz JLQABXVGIPVPEP-KGLIPLIRSA-N 2 1 317.861 1.334 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1ccnc1CC)C2 ZINC001109307562 763558577 /nfs/dbraw/zinc/55/85/77/763558577.db2.gz QRDZBAFYUHTHKK-FZKCQIBNSA-N 2 1 314.433 1.751 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001050591895 763797887 /nfs/dbraw/zinc/79/78/87/763797887.db2.gz GTWLLDBMIYUUKW-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256714 763829189 /nfs/dbraw/zinc/82/91/89/763829189.db2.gz YWRJOQWUVJAATJ-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314154 763902990 /nfs/dbraw/zinc/90/29/90/763902990.db2.gz MNXBHZASWOCGNZ-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC)[C@@H]3C2)CC1 ZINC001042367165 763970257 /nfs/dbraw/zinc/97/02/57/763970257.db2.gz BUUMGYSSPGLMDI-SJLPKXTDSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001111552606 764290759 /nfs/dbraw/zinc/29/07/59/764290759.db2.gz IYEINVIRLFMQPG-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001112854895 764882433 /nfs/dbraw/zinc/88/24/33/764882433.db2.gz BOQMLEMYRZLDRQ-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681931 768259179 /nfs/dbraw/zinc/25/91/79/768259179.db2.gz KIILGWLWQARHKW-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704693 768274021 /nfs/dbraw/zinc/27/40/21/768274021.db2.gz YNVOIYDVAUTHEN-WBVHZDCISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704693 768274024 /nfs/dbraw/zinc/27/40/24/768274024.db2.gz YNVOIYDVAUTHEN-WBVHZDCISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704693 768274027 /nfs/dbraw/zinc/27/40/27/768274027.db2.gz YNVOIYDVAUTHEN-WBVHZDCISA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](C(C)C)C3)CC1 ZINC001047209844 768316305 /nfs/dbraw/zinc/31/63/05/768316305.db2.gz YCGGLRTZZZZWNM-JQHSSLGASA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662140 766049801 /nfs/dbraw/zinc/04/98/01/766049801.db2.gz FYQPADOSUDRJHI-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662140 766049806 /nfs/dbraw/zinc/04/98/06/766049806.db2.gz FYQPADOSUDRJHI-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663691 766051671 /nfs/dbraw/zinc/05/16/71/766051671.db2.gz WSSKILHRAXBLBD-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663691 766051676 /nfs/dbraw/zinc/05/16/76/766051676.db2.gz WSSKILHRAXBLBD-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045967326 766745762 /nfs/dbraw/zinc/74/57/62/766745762.db2.gz RFYGECJEBMHGEU-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045967326 766745765 /nfs/dbraw/zinc/74/57/65/766745765.db2.gz RFYGECJEBMHGEU-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045967326 766745767 /nfs/dbraw/zinc/74/57/67/766745767.db2.gz RFYGECJEBMHGEU-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001129771348 767000229 /nfs/dbraw/zinc/00/02/29/767000229.db2.gz WICDLLSUVDVOML-KGLIPLIRSA-N 2 1 313.392 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001129771348 767000240 /nfs/dbraw/zinc/00/02/40/767000240.db2.gz WICDLLSUVDVOML-KGLIPLIRSA-N 2 1 313.392 1.225 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1sc(C)nc1C ZINC001129775993 767000260 /nfs/dbraw/zinc/00/02/60/767000260.db2.gz YMYWCXSYIKGGEY-AWEZNQCLSA-N 2 1 320.462 1.063 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1sc(C)nc1C ZINC001129775993 767000268 /nfs/dbraw/zinc/00/02/68/767000268.db2.gz YMYWCXSYIKGGEY-AWEZNQCLSA-N 2 1 320.462 1.063 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157950874 767507168 /nfs/dbraw/zinc/50/71/68/767507168.db2.gz IMISHOKAJXXVAZ-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157950874 767507169 /nfs/dbraw/zinc/50/71/69/767507169.db2.gz IMISHOKAJXXVAZ-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001157950874 767507171 /nfs/dbraw/zinc/50/71/71/767507171.db2.gz IMISHOKAJXXVAZ-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310821 768750804 /nfs/dbraw/zinc/75/08/04/768750804.db2.gz ONGBSALWWHZXIB-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310821 768750810 /nfs/dbraw/zinc/75/08/10/768750810.db2.gz ONGBSALWWHZXIB-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310821 768750813 /nfs/dbraw/zinc/75/08/13/768750813.db2.gz ONGBSALWWHZXIB-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406472 768810355 /nfs/dbraw/zinc/81/03/55/768810355.db2.gz JQRVFYZWDAVBAT-HOTGVXAUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132518141 768931048 /nfs/dbraw/zinc/93/10/48/768931048.db2.gz IXMGFLYZJOBMAW-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528504 769497396 /nfs/dbraw/zinc/49/73/96/769497396.db2.gz YFJFCAUYYFFLFX-NQNKBUKLSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528504 769497403 /nfs/dbraw/zinc/49/74/03/769497403.db2.gz YFJFCAUYYFFLFX-NQNKBUKLSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528504 769497407 /nfs/dbraw/zinc/49/74/07/769497407.db2.gz YFJFCAUYYFFLFX-NQNKBUKLSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562029 769535387 /nfs/dbraw/zinc/53/53/87/769535387.db2.gz IKUUBPZNJQSSES-JCECYMMASA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562029 769535390 /nfs/dbraw/zinc/53/53/90/769535390.db2.gz IKUUBPZNJQSSES-JCECYMMASA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562029 769535394 /nfs/dbraw/zinc/53/53/94/769535394.db2.gz IKUUBPZNJQSSES-JCECYMMASA-N 2 1 317.477 1.567 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001048588976 769564101 /nfs/dbraw/zinc/56/41/01/769564101.db2.gz XGYDPLOWQKZRNG-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001048588976 769564108 /nfs/dbraw/zinc/56/41/08/769564108.db2.gz XGYDPLOWQKZRNG-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001048588976 769564114 /nfs/dbraw/zinc/56/41/14/769564114.db2.gz XGYDPLOWQKZRNG-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001048588976 769564119 /nfs/dbraw/zinc/56/41/19/769564119.db2.gz XGYDPLOWQKZRNG-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001048588976 769564123 /nfs/dbraw/zinc/56/41/23/769564123.db2.gz XGYDPLOWQKZRNG-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071646183 769786061 /nfs/dbraw/zinc/78/60/61/769786061.db2.gz SYCXITFBGYFZPZ-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048819097 769939277 /nfs/dbraw/zinc/93/92/77/769939277.db2.gz QLEHQDDERZBHNI-BDXSIMOUSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048819097 769939284 /nfs/dbraw/zinc/93/92/84/769939284.db2.gz QLEHQDDERZBHNI-BDXSIMOUSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048819097 769939291 /nfs/dbraw/zinc/93/92/91/769939291.db2.gz QLEHQDDERZBHNI-BDXSIMOUSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818723 769940419 /nfs/dbraw/zinc/94/04/19/769940419.db2.gz LMZACEQILSKPDO-MWDXBVQZSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818723 769940427 /nfs/dbraw/zinc/94/04/27/769940427.db2.gz LMZACEQILSKPDO-MWDXBVQZSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818723 769940432 /nfs/dbraw/zinc/94/04/32/769940432.db2.gz LMZACEQILSKPDO-MWDXBVQZSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071739362 769980566 /nfs/dbraw/zinc/98/05/66/769980566.db2.gz RMVWPONCQBBDRB-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048860161 770002436 /nfs/dbraw/zinc/00/24/36/770002436.db2.gz JEVHDDUZUFORQK-OKILXGFUSA-N 2 1 311.857 1.613 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888471 770057330 /nfs/dbraw/zinc/05/73/30/770057330.db2.gz QBEGKPXGDGSLPT-YYIAUSFCSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888471 770057342 /nfs/dbraw/zinc/05/73/42/770057342.db2.gz QBEGKPXGDGSLPT-YYIAUSFCSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888471 770057355 /nfs/dbraw/zinc/05/73/55/770057355.db2.gz QBEGKPXGDGSLPT-YYIAUSFCSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049012605 770251435 /nfs/dbraw/zinc/25/14/35/770251435.db2.gz FUDNKIZDEHMZTR-OAGGEKHMSA-N 2 1 314.433 1.330 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049012605 770251441 /nfs/dbraw/zinc/25/14/41/770251441.db2.gz FUDNKIZDEHMZTR-OAGGEKHMSA-N 2 1 314.433 1.330 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049056963 770301786 /nfs/dbraw/zinc/30/17/86/770301786.db2.gz FMXPBEMQKYGQSV-KFWWJZLASA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049056963 770301792 /nfs/dbraw/zinc/30/17/92/770301792.db2.gz FMXPBEMQKYGQSV-KFWWJZLASA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049056963 770301803 /nfs/dbraw/zinc/30/18/03/770301803.db2.gz FMXPBEMQKYGQSV-KFWWJZLASA-N 2 1 311.857 1.613 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049096947 770366822 /nfs/dbraw/zinc/36/68/22/770366822.db2.gz DSQQQHBUTPLEFA-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049096947 770366831 /nfs/dbraw/zinc/36/68/31/770366831.db2.gz DSQQQHBUTPLEFA-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001049096947 770366845 /nfs/dbraw/zinc/36/68/45/770366845.db2.gz DSQQQHBUTPLEFA-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171152 770494882 /nfs/dbraw/zinc/49/48/82/770494882.db2.gz MGCDPAJMENWTKD-WNRNVDISSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232402 770578708 /nfs/dbraw/zinc/57/87/08/770578708.db2.gz UXFNDVBWVOYZFG-WNKDZCFJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232402 770578713 /nfs/dbraw/zinc/57/87/13/770578713.db2.gz UXFNDVBWVOYZFG-WNKDZCFJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232402 770578718 /nfs/dbraw/zinc/57/87/18/770578718.db2.gz UXFNDVBWVOYZFG-WNKDZCFJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234230 770580231 /nfs/dbraw/zinc/58/02/31/770580231.db2.gz BLMKGAOOBYTPEM-KSZLIROESA-N 2 1 313.445 1.866 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234230 770580234 /nfs/dbraw/zinc/58/02/34/770580234.db2.gz BLMKGAOOBYTPEM-KSZLIROESA-N 2 1 313.445 1.866 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235636 770583019 /nfs/dbraw/zinc/58/30/19/770583019.db2.gz QEXDUURGKSKMHX-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086717435 770626432 /nfs/dbraw/zinc/62/64/32/770626432.db2.gz XOWDMSFGULODKV-JZXOWHBKSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535029 770993954 /nfs/dbraw/zinc/99/39/54/770993954.db2.gz XZUMVANNBPMOLY-BBWFWOEESA-N 2 1 305.466 1.661 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134611808 771078587 /nfs/dbraw/zinc/07/85/87/771078587.db2.gz CENVDQWJEGJCBK-HUUCEWRRSA-N 2 1 311.470 1.546 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049716851 771110043 /nfs/dbraw/zinc/11/00/43/771110043.db2.gz GSHXKGHZXZFMQJ-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049716851 771110047 /nfs/dbraw/zinc/11/00/47/771110047.db2.gz GSHXKGHZXZFMQJ-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001049716851 771110049 /nfs/dbraw/zinc/11/00/49/771110049.db2.gz GSHXKGHZXZFMQJ-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049719807 771112604 /nfs/dbraw/zinc/11/26/04/771112604.db2.gz NWUBRNXYKSHDTG-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049719807 771112607 /nfs/dbraw/zinc/11/26/07/771112607.db2.gz NWUBRNXYKSHDTG-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001049719807 771112609 /nfs/dbraw/zinc/11/26/09/771112609.db2.gz NWUBRNXYKSHDTG-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049900432 771244564 /nfs/dbraw/zinc/24/45/64/771244564.db2.gz KSJXLRJRRXVDER-JKSUJKDBSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049900432 771244567 /nfs/dbraw/zinc/24/45/67/771244567.db2.gz KSJXLRJRRXVDER-JKSUJKDBSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001096612040 771307517 /nfs/dbraw/zinc/30/75/17/771307517.db2.gz ZZYSGEIRWPCTDM-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001170868853 771788720 /nfs/dbraw/zinc/78/87/20/771788720.db2.gz VASGXKWAPKMHNN-KRWDZBQOSA-N 2 1 301.434 1.799 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090571699 771998384 /nfs/dbraw/zinc/99/83/84/771998384.db2.gz BMJUJUHVAAMTOS-HOTGVXAUSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001171235179 772658082 /nfs/dbraw/zinc/65/80/82/772658082.db2.gz FQUGKPPOMSFRHK-SJORKVTESA-N 2 1 307.482 1.862 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147572979 773172414 /nfs/dbraw/zinc/17/24/14/773172414.db2.gz RINUKDSOLYXCAK-QGZVFWFLSA-N 2 1 317.477 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605657 773206474 /nfs/dbraw/zinc/20/64/74/773206474.db2.gz QGMYNZLQQUYWMN-DLBZAZTESA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCCC)C2 ZINC001147736725 773226121 /nfs/dbraw/zinc/22/61/21/773226121.db2.gz GHNRPJDOIKODBT-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001147736725 773226124 /nfs/dbraw/zinc/22/61/24/773226124.db2.gz GHNRPJDOIKODBT-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCC)C2 ZINC001147736725 773226130 /nfs/dbraw/zinc/22/61/30/773226130.db2.gz GHNRPJDOIKODBT-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCCC)C2 ZINC001147736725 773226132 /nfs/dbraw/zinc/22/61/32/773226132.db2.gz GHNRPJDOIKODBT-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091684436 773383428 /nfs/dbraw/zinc/38/34/28/773383428.db2.gz FTVILUXYCDXGCS-HPFXQQBRSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091684436 773383434 /nfs/dbraw/zinc/38/34/34/773383434.db2.gz FTVILUXYCDXGCS-HPFXQQBRSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091684436 773383442 /nfs/dbraw/zinc/38/34/42/773383442.db2.gz FTVILUXYCDXGCS-HPFXQQBRSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740962 773555914 /nfs/dbraw/zinc/55/59/14/773555914.db2.gz SVVWLRQDKHGQTR-QAPCUYQASA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740962 773555919 /nfs/dbraw/zinc/55/59/19/773555919.db2.gz SVVWLRQDKHGQTR-QAPCUYQASA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740962 773555923 /nfs/dbraw/zinc/55/59/23/773555923.db2.gz SVVWLRQDKHGQTR-QAPCUYQASA-N 2 1 303.450 1.274 20 30 DDEDMP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001148638116 773560764 /nfs/dbraw/zinc/56/07/64/773560764.db2.gz CZTWPYSOWWKAJY-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001148638116 773560768 /nfs/dbraw/zinc/56/07/68/773560768.db2.gz CZTWPYSOWWKAJY-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777174 773584729 /nfs/dbraw/zinc/58/47/29/773584729.db2.gz HKGDOOYFGLUNOX-UHFFFAOYSA-N 2 1 317.477 1.810 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098837852 774690971 /nfs/dbraw/zinc/69/09/71/774690971.db2.gz WMGIPYUQQZHZAM-SCTDSRPQSA-N 2 1 317.477 1.875 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467200 774866626 /nfs/dbraw/zinc/86/66/26/774866626.db2.gz AKDOKDHBEAYVGH-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467200 774866634 /nfs/dbraw/zinc/86/66/34/774866634.db2.gz AKDOKDHBEAYVGH-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556953 775030375 /nfs/dbraw/zinc/03/03/75/775030375.db2.gz UJXFKLHYBMUDMM-HZMVEIRTSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556953 775030380 /nfs/dbraw/zinc/03/03/80/775030380.db2.gz UJXFKLHYBMUDMM-HZMVEIRTSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556953 775030384 /nfs/dbraw/zinc/03/03/84/775030384.db2.gz UJXFKLHYBMUDMM-HZMVEIRTSA-N 2 1 303.450 1.129 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100141572 775725249 /nfs/dbraw/zinc/72/52/49/775725249.db2.gz WONOGLAMBXBZND-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384753 775834158 /nfs/dbraw/zinc/83/41/58/775834158.db2.gz HWYRGXJBNHKUKT-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384753 775834165 /nfs/dbraw/zinc/83/41/65/775834165.db2.gz HWYRGXJBNHKUKT-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384753 775834171 /nfs/dbraw/zinc/83/41/71/775834171.db2.gz HWYRGXJBNHKUKT-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384753 775834175 /nfs/dbraw/zinc/83/41/75/775834175.db2.gz HWYRGXJBNHKUKT-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174913945 777632818 /nfs/dbraw/zinc/63/28/18/777632818.db2.gz UPYOJQFGKAOCIH-DLBZAZTESA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174913945 777632819 /nfs/dbraw/zinc/63/28/19/777632819.db2.gz UPYOJQFGKAOCIH-DLBZAZTESA-N 2 1 323.481 1.384 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580677 778222586 /nfs/dbraw/zinc/22/25/86/778222586.db2.gz GWMQDXCQVNXHTB-IXDOHACOSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103436071 778865444 /nfs/dbraw/zinc/86/54/44/778865444.db2.gz JKLJRYDMEGNATI-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436071 778865450 /nfs/dbraw/zinc/86/54/50/778865450.db2.gz JKLJRYDMEGNATI-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103436071 778865460 /nfs/dbraw/zinc/86/54/60/778865460.db2.gz JKLJRYDMEGNATI-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001178925137 779215141 /nfs/dbraw/zinc/21/51/41/779215141.db2.gz CGWLCSOYNFQFPT-BBWFWOEESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001179154443 779296894 /nfs/dbraw/zinc/29/68/94/779296894.db2.gz YFROLFVRGKNWLN-GJZGRUSLSA-N 2 1 314.433 1.364 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001179714800 779466258 /nfs/dbraw/zinc/46/62/58/779466258.db2.gz MGWKXYSEYKVROF-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179720027 779468048 /nfs/dbraw/zinc/46/80/48/779468048.db2.gz UTUWSIANXRZYQX-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855924 779520310 /nfs/dbraw/zinc/52/03/10/779520310.db2.gz SENWOENTZVXOQN-YJBOKZPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112072264 779614072 /nfs/dbraw/zinc/61/40/72/779614072.db2.gz QIOXBUUZJUCILJ-UPJWGTAASA-N 2 1 319.371 1.636 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115343198 780054834 /nfs/dbraw/zinc/05/48/34/780054834.db2.gz DGEVSABGSPPKMR-VQFNDLOPSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001283449615 837470927 /nfs/dbraw/zinc/47/09/27/837470927.db2.gz NETFFZBJCFBMSZ-SJORKVTESA-N 2 1 307.482 1.861 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266464790 836300329 /nfs/dbraw/zinc/30/03/29/836300329.db2.gz IPQXWTYZXRSWLB-IAGOWNOFSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001272024257 844349413 /nfs/dbraw/zinc/34/94/13/844349413.db2.gz NISNSRPZZAGUIQ-GVDBMIGSSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267789406 838982359 /nfs/dbraw/zinc/98/23/59/838982359.db2.gz FGURZJJZLVWZFF-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC001267790815 838984438 /nfs/dbraw/zinc/98/44/38/838984438.db2.gz MQORSEGAEQVSMO-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267790815 838984444 /nfs/dbraw/zinc/98/44/44/838984444.db2.gz MQORSEGAEQVSMO-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001267790815 838984446 /nfs/dbraw/zinc/98/44/46/838984446.db2.gz MQORSEGAEQVSMO-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CC#CCOC)C1 ZINC001267790815 838984450 /nfs/dbraw/zinc/98/44/50/838984450.db2.gz MQORSEGAEQVSMO-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(=C)C ZINC001267958327 839268129 /nfs/dbraw/zinc/26/81/29/839268129.db2.gz YYVVVWMKXHKFSV-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(=C)C ZINC001267958327 839268140 /nfs/dbraw/zinc/26/81/40/839268140.db2.gz YYVVVWMKXHKFSV-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001268065178 839638343 /nfs/dbraw/zinc/63/83/43/839638343.db2.gz XCFJJWQBFFRHSC-CABCVRRESA-N 2 1 304.438 1.856 20 30 DDEDMP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268640160 840618607 /nfs/dbraw/zinc/61/86/07/840618607.db2.gz ROLCWYQETUMPPL-RHSMWYFYSA-N 2 1 317.408 1.366 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC[N@@H+](C)CC2CC2)C(C)C)CC1 ZINC001284557707 841790212 /nfs/dbraw/zinc/79/02/12/841790212.db2.gz FVSJNHZMKIKORT-UHFFFAOYSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001326291380 861260564 /nfs/dbraw/zinc/26/05/64/861260564.db2.gz WJUVWWOANNFHSL-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001270295701 842463882 /nfs/dbraw/zinc/46/38/82/842463882.db2.gz FRRKICRTFAFTLK-DOTOQJQBSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CCOC)CC1 ZINC001270321147 842485218 /nfs/dbraw/zinc/48/52/18/842485218.db2.gz NRVIREWNNQNKLZ-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001328763797 863202267 /nfs/dbraw/zinc/20/22/67/863202267.db2.gz GHKGGGQAYWDKJU-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001422057627 845768341 /nfs/dbraw/zinc/76/83/41/845768341.db2.gz XXWJFPWJIWOFRZ-OCCSQVGLSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001272826552 847511725 /nfs/dbraw/zinc/51/17/25/847511725.db2.gz ULYJYUKTRQDDNV-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCN1c2ccccc2[C@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273029017 847810182 /nfs/dbraw/zinc/81/01/82/847810182.db2.gz CTAPVJDAOGEUKK-HXUWFJFHSA-N 2 1 323.440 1.610 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034367621 848392354 /nfs/dbraw/zinc/39/23/54/848392354.db2.gz NIEPBUJBMSGQRR-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034367621 848392362 /nfs/dbraw/zinc/39/23/62/848392362.db2.gz NIEPBUJBMSGQRR-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001034365568 848421070 /nfs/dbraw/zinc/42/10/70/848421070.db2.gz CKSOXJSKFLBFAN-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365568 848421074 /nfs/dbraw/zinc/42/10/74/848421074.db2.gz CKSOXJSKFLBFAN-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034365568 848421077 /nfs/dbraw/zinc/42/10/77/848421077.db2.gz CKSOXJSKFLBFAN-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001152439419 863345086 /nfs/dbraw/zinc/34/50/86/863345086.db2.gz LFRKCFAEAWTKGG-UHFFFAOYSA-N 2 1 306.385 1.243 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193842 862137323 /nfs/dbraw/zinc/13/73/23/862137323.db2.gz PUZFESCRRUGXDI-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150350659 862190399 /nfs/dbraw/zinc/19/03/99/862190399.db2.gz MWWJTHUZYRPOAZ-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001273723574 851275256 /nfs/dbraw/zinc/27/52/56/851275256.db2.gz MHJGHZSBWTXXMP-LSDHHAIUSA-N 2 1 309.454 1.108 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001155631097 862315196 /nfs/dbraw/zinc/31/51/96/862315196.db2.gz JXPHSYIYYHDFAL-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc2c[nH+]ccc2[nH]1 ZINC001274270436 852114651 /nfs/dbraw/zinc/11/46/51/852114651.db2.gz SEUAPNOAPSFTFI-IAGOWNOFSA-N 2 1 308.385 1.761 20 30 DDEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCOCC1 ZINC001327634282 862337150 /nfs/dbraw/zinc/33/71/50/862337150.db2.gz DMVGNISXQUIHHG-JKSUJKDBSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274621840 852454781 /nfs/dbraw/zinc/45/47/81/852454781.db2.gz XZPRQFRVDRXWOJ-SJLPKXTDSA-N 2 1 323.481 1.332 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001155791561 862455142 /nfs/dbraw/zinc/45/51/42/862455142.db2.gz WSZHCVYBCCHXAJ-MRXNPFEDSA-N 2 1 300.406 1.248 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001275974768 854052045 /nfs/dbraw/zinc/05/20/45/854052045.db2.gz AIKFXQDDCQYTOW-BZSNNMDCSA-N 2 1 315.461 1.559 20 30 DDEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001328035939 862652086 /nfs/dbraw/zinc/65/20/86/862652086.db2.gz VQPPUJOHDIQFLY-IAGOWNOFSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001006446022 855447886 /nfs/dbraw/zinc/44/78/86/855447886.db2.gz QUAZXKZCKZSXEN-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001151387802 862754092 /nfs/dbraw/zinc/75/40/92/862754092.db2.gz QMCCLUVFKQKHNW-UHFFFAOYSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049551154 856963941 /nfs/dbraw/zinc/96/39/41/856963941.db2.gz FDUWPHPNZJKFOA-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049551154 856963944 /nfs/dbraw/zinc/96/39/44/856963944.db2.gz FDUWPHPNZJKFOA-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072740939 857662404 /nfs/dbraw/zinc/66/24/04/857662404.db2.gz QHHBYNAEWRAIFP-INIZCTEOSA-N 2 1 303.450 1.439 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001328402404 862950616 /nfs/dbraw/zinc/95/06/16/862950616.db2.gz HZXUTEQNDDDDHT-DZGCQCFKSA-N 2 1 302.422 1.262 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072941208 857915320 /nfs/dbraw/zinc/91/53/20/857915320.db2.gz FTKBEAZMHQKHQK-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072983221 857967849 /nfs/dbraw/zinc/96/78/49/857967849.db2.gz OJFSPQLQJYMCHF-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072983221 857967851 /nfs/dbraw/zinc/96/78/51/857967851.db2.gz OJFSPQLQJYMCHF-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072983221 857967853 /nfs/dbraw/zinc/96/78/53/857967853.db2.gz OJFSPQLQJYMCHF-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073127953 858122952 /nfs/dbraw/zinc/12/29/52/858122952.db2.gz LYOGNYQFIHOPGO-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073127953 858122953 /nfs/dbraw/zinc/12/29/53/858122953.db2.gz LYOGNYQFIHOPGO-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073127953 858122955 /nfs/dbraw/zinc/12/29/55/858122955.db2.gz LYOGNYQFIHOPGO-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001122231625 858720469 /nfs/dbraw/zinc/72/04/69/858720469.db2.gz PXSNTNCDUBTWAA-WLOQGADPSA-N 2 1 317.477 1.900 20 30 DDEDMP C#CC1CC[NH+](Cc2cnc(N3CC[NH+](C)CC3)s2)CC1 ZINC001139325771 860364755 /nfs/dbraw/zinc/36/47/55/860364755.db2.gz ZRNTYDFNLAGTEM-UHFFFAOYSA-N 2 1 304.463 1.740 20 30 DDEDMP Cc1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1C#N ZINC001139726332 860464440 /nfs/dbraw/zinc/46/44/40/860464440.db2.gz ITRKWNUXJPWVBL-UHFFFAOYSA-N 2 1 300.450 1.936 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001161206503 860575079 /nfs/dbraw/zinc/57/50/79/860575079.db2.gz KBWBLHUJQXVVDM-INIZCTEOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161206503 860575083 /nfs/dbraw/zinc/57/50/83/860575083.db2.gz KBWBLHUJQXVVDM-INIZCTEOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001161206503 860575086 /nfs/dbraw/zinc/57/50/86/860575086.db2.gz KBWBLHUJQXVVDM-INIZCTEOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)C)CC1 ZINC001157091817 863567485 /nfs/dbraw/zinc/56/74/85/863567485.db2.gz CXANYVWRUTYLHV-MRXNPFEDSA-N 2 1 305.466 1.734 20 30 DDEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001329763887 863837941 /nfs/dbraw/zinc/83/79/41/863837941.db2.gz AICLIUYEJHXCMO-HKUYNNGSSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001329848331 863894289 /nfs/dbraw/zinc/89/42/89/863894289.db2.gz IIQQETIBIAIHOD-UHFFFAOYSA-N 2 1 323.481 1.694 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001329925023 863947200 /nfs/dbraw/zinc/94/72/00/863947200.db2.gz ZOZFDJUGSJYFID-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001329925023 863947210 /nfs/dbraw/zinc/94/72/10/863947210.db2.gz ZOZFDJUGSJYFID-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001329925023 863947215 /nfs/dbraw/zinc/94/72/15/863947215.db2.gz ZOZFDJUGSJYFID-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001153802536 864117600 /nfs/dbraw/zinc/11/76/00/864117600.db2.gz JTTMEHGSWUURFK-NVXWUHKLSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001153802536 864117604 /nfs/dbraw/zinc/11/76/04/864117604.db2.gz JTTMEHGSWUURFK-NVXWUHKLSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001153802536 864117609 /nfs/dbraw/zinc/11/76/09/864117609.db2.gz JTTMEHGSWUURFK-NVXWUHKLSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001330407128 864317508 /nfs/dbraw/zinc/31/75/08/864317508.db2.gz XTHPXDYKJCTECA-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001154069896 864378818 /nfs/dbraw/zinc/37/88/18/864378818.db2.gz NJTHFJDMHFEDQN-OAHLLOKOSA-N 2 1 311.470 1.193 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069896 864378835 /nfs/dbraw/zinc/37/88/35/864378835.db2.gz NJTHFJDMHFEDQN-OAHLLOKOSA-N 2 1 311.470 1.193 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)CC ZINC001154069896 864378852 /nfs/dbraw/zinc/37/88/52/864378852.db2.gz NJTHFJDMHFEDQN-OAHLLOKOSA-N 2 1 311.470 1.193 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[N@H+](C)CC ZINC001154069900 864379782 /nfs/dbraw/zinc/37/97/82/864379782.db2.gz NVXBDGZIPKACPM-OAHLLOKOSA-N 2 1 313.486 1.746 20 30 DDEDMP C=CCOCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069900 864379799 /nfs/dbraw/zinc/37/97/99/864379799.db2.gz NVXBDGZIPKACPM-OAHLLOKOSA-N 2 1 313.486 1.746 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+](C)CC ZINC001154069900 864379813 /nfs/dbraw/zinc/37/98/13/864379813.db2.gz NVXBDGZIPKACPM-OAHLLOKOSA-N 2 1 313.486 1.746 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001330474861 864384798 /nfs/dbraw/zinc/38/47/98/864384798.db2.gz JKWRRZRSBOIVGE-OKZBNKHCSA-N 2 1 317.477 1.712 20 30 DDEDMP Cc1cc(Cl)nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1C#N ZINC001160512480 865895140 /nfs/dbraw/zinc/89/51/40/865895140.db2.gz VYCTWZAEYYXHIM-HNNXBMFYSA-N 2 1 305.813 1.750 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001332664927 866045188 /nfs/dbraw/zinc/04/51/88/866045188.db2.gz OBQWTESYQTVUPL-IRXDYDNUSA-N 2 1 323.481 1.025 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001323066759 866310671 /nfs/dbraw/zinc/31/06/71/866310671.db2.gz OQNFCFLIFZCQTQ-HOCLYGCPSA-N 2 1 302.422 1.424 20 30 DDEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001319890488 866367532 /nfs/dbraw/zinc/36/75/32/866367532.db2.gz NJPVJETWAWYJCD-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001319890488 866367539 /nfs/dbraw/zinc/36/75/39/866367539.db2.gz NJPVJETWAWYJCD-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001319890488 866367547 /nfs/dbraw/zinc/36/75/47/866367547.db2.gz NJPVJETWAWYJCD-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[C@]1(C(=O)N(C)CC[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC001161160926 866418007 /nfs/dbraw/zinc/41/80/07/866418007.db2.gz KMXIBMXYVIWPPA-LJQANCHMSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CCC)C2)C1 ZINC001333216786 866529390 /nfs/dbraw/zinc/52/93/90/866529390.db2.gz ZAQBSSCKORALNK-IRXDYDNUSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)C1 ZINC001333216786 866529404 /nfs/dbraw/zinc/52/94/04/866529404.db2.gz ZAQBSSCKORALNK-IRXDYDNUSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)CCC)C2)C1 ZINC001333216786 866529415 /nfs/dbraw/zinc/52/94/15/866529415.db2.gz ZAQBSSCKORALNK-IRXDYDNUSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)CCC)C2)C1 ZINC001333216786 866529426 /nfs/dbraw/zinc/52/94/26/866529426.db2.gz ZAQBSSCKORALNK-IRXDYDNUSA-N 2 1 320.481 1.457 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323639425 866741864 /nfs/dbraw/zinc/74/18/64/866741864.db2.gz ZQGISTIWKGZSPG-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001323639425 866741872 /nfs/dbraw/zinc/74/18/72/866741872.db2.gz ZQGISTIWKGZSPG-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001323639425 866741887 /nfs/dbraw/zinc/74/18/87/866741887.db2.gz ZQGISTIWKGZSPG-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163164138 868177269 /nfs/dbraw/zinc/17/72/69/868177269.db2.gz QHLBWHFUWHGBPD-NFAWXSAZSA-N 2 1 313.405 1.654 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001336756282 869125778 /nfs/dbraw/zinc/12/57/78/869125778.db2.gz LQHGYBLRBRFLLT-SJORKVTESA-N 2 1 323.481 1.912 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317157624 870382452 /nfs/dbraw/zinc/38/24/52/870382452.db2.gz KRTZWOLJUDHEJB-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1OCC ZINC001316691804 871116467 /nfs/dbraw/zinc/11/64/67/871116467.db2.gz YUAGLXWRKJCJGS-MWDXBVQZSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317791800 871509059 /nfs/dbraw/zinc/50/90/59/871509059.db2.gz CVBVJTZGAQDXNW-AWEZNQCLSA-N 2 1 318.421 1.201 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317791800 871509080 /nfs/dbraw/zinc/50/90/80/871509080.db2.gz CVBVJTZGAQDXNW-AWEZNQCLSA-N 2 1 318.421 1.201 20 30 DDEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316746684 871809003 /nfs/dbraw/zinc/80/90/03/871809003.db2.gz FGHIAYYOJAQLRU-HZPDHXFCSA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[NH2+]CCC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001318916764 872343328 /nfs/dbraw/zinc/34/33/28/872343328.db2.gz FFKVAMDGDFWOGZ-UHFFFAOYSA-N 2 1 323.481 1.503 20 30 DDEDMP C=CCC[NH2+]CC1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001206603137 872468846 /nfs/dbraw/zinc/46/88/46/872468846.db2.gz KUOCFQPBKGTGIJ-UHFFFAOYSA-N 2 1 309.454 1.113 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277284266 883399953 /nfs/dbraw/zinc/39/99/53/883399953.db2.gz JKJZMCZMWLTESF-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001208073075 873809064 /nfs/dbraw/zinc/80/90/64/873809064.db2.gz BHBBNUIGVPUMNF-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213224319 875854044 /nfs/dbraw/zinc/85/40/44/875854044.db2.gz XFPZRRDQGDAQHI-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855505 876482579 /nfs/dbraw/zinc/48/25/79/876482579.db2.gz DQXOPZVIFDFVQF-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410333 876702992 /nfs/dbraw/zinc/70/29/92/876702992.db2.gz QZVCVASQJVMXLZ-FRFSOERESA-N 2 1 314.433 1.214 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850664 877080830 /nfs/dbraw/zinc/08/08/30/877080830.db2.gz PASGCANQRXDTKV-KBAYOESNSA-N 2 1 313.445 1.749 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001379465457 877143463 /nfs/dbraw/zinc/14/34/63/877143463.db2.gz PTPRTDKPMZZTCX-CQSZACIVSA-N 2 1 309.841 1.965 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219868823 878554509 /nfs/dbraw/zinc/55/45/09/878554509.db2.gz AWKRHVKCVORPEQ-OAGGEKHMSA-N 2 1 313.486 1.458 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001357269075 879883429 /nfs/dbraw/zinc/88/34/29/879883429.db2.gz OTXODSIUDFVMJQ-FVQBIDKESA-N 2 1 306.454 1.276 20 30 DDEDMP C=CCOc1ccccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497764 880511032 /nfs/dbraw/zinc/51/10/32/880511032.db2.gz ZLMKUBVGVFQDJV-IRXDYDNUSA-N 2 1 301.434 1.777 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167505 883373753 /nfs/dbraw/zinc/37/37/53/883373753.db2.gz LBIMKMNGTYFUDT-ZACQAIPSSA-N 2 1 321.465 1.136 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228167505 883373769 /nfs/dbraw/zinc/37/37/69/883373769.db2.gz LBIMKMNGTYFUDT-ZACQAIPSSA-N 2 1 321.465 1.136 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001228593307 883565861 /nfs/dbraw/zinc/56/58/61/883565861.db2.gz ALAFBSMPTUCBOW-BRWVUGGUSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001228603768 883568237 /nfs/dbraw/zinc/56/82/37/883568237.db2.gz UUNAEZBQIZSSNJ-GVDBMIGSSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598139 884635274 /nfs/dbraw/zinc/63/52/74/884635274.db2.gz GGVURCXHAIVGJS-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP N#CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC3CC[NH+]1CC3)C2 ZINC001277942004 888606972 /nfs/dbraw/zinc/60/69/72/888606972.db2.gz YSBJTXXXIBGJJL-MRXNPFEDSA-N 2 1 316.449 1.309 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC001278286067 890395009 /nfs/dbraw/zinc/39/50/09/890395009.db2.gz UCOYADRTDUTUHK-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001278626730 894607116 /nfs/dbraw/zinc/60/71/16/894607116.db2.gz HXPYMEHMQDLQOV-INIZCTEOSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001278661639 895089773 /nfs/dbraw/zinc/08/97/73/895089773.db2.gz KAGDXMQQYSSELP-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001366985700 895496820 /nfs/dbraw/zinc/49/68/20/895496820.db2.gz PGTYMNSQKXFMHS-UHFFFAOYSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001263728592 900687514 /nfs/dbraw/zinc/68/75/14/900687514.db2.gz WTVHORLPCXRZET-BFYDXBDKSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001391112457 900936270 /nfs/dbraw/zinc/93/62/70/900936270.db2.gz NUVXUCMYFWWUML-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001391112457 900936282 /nfs/dbraw/zinc/93/62/82/900936282.db2.gz NUVXUCMYFWWUML-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001391112457 900936290 /nfs/dbraw/zinc/93/62/90/900936290.db2.gz NUVXUCMYFWWUML-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001391112457 900936295 /nfs/dbraw/zinc/93/62/95/900936295.db2.gz NUVXUCMYFWWUML-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001264705364 901300158 /nfs/dbraw/zinc/30/01/58/901300158.db2.gz NIIRROCSGRJRCR-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001264705364 901300163 /nfs/dbraw/zinc/30/01/63/901300163.db2.gz NIIRROCSGRJRCR-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001264705364 901300171 /nfs/dbraw/zinc/30/01/71/901300171.db2.gz NIIRROCSGRJRCR-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001265393508 901963401 /nfs/dbraw/zinc/96/34/01/901963401.db2.gz ZVMFOJDSXUJBER-MRXNPFEDSA-N 2 1 302.422 1.385 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001265393508 901963411 /nfs/dbraw/zinc/96/34/11/901963411.db2.gz ZVMFOJDSXUJBER-MRXNPFEDSA-N 2 1 302.422 1.385 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265591633 902172162 /nfs/dbraw/zinc/17/21/62/902172162.db2.gz YIERNRKNYJHSJJ-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265591633 902172165 /nfs/dbraw/zinc/17/21/65/902172165.db2.gz YIERNRKNYJHSJJ-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265591633 902172169 /nfs/dbraw/zinc/17/21/69/902172169.db2.gz YIERNRKNYJHSJJ-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001266145239 903019287 /nfs/dbraw/zinc/01/92/87/903019287.db2.gz NTAJXVISZJSNFE-UHFFFAOYSA-N 2 1 303.450 1.609 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001279415704 903255507 /nfs/dbraw/zinc/25/55/07/903255507.db2.gz CRTYVPAEEKBXJY-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001280357016 903604853 /nfs/dbraw/zinc/60/48/53/903604853.db2.gz RRPXZZGNDXJDMP-CRAIPNDOSA-N 2 1 313.445 1.928 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001280629895 903861858 /nfs/dbraw/zinc/86/18/58/903861858.db2.gz NALFJFNARHMNNQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001280961852 904249780 /nfs/dbraw/zinc/24/97/80/904249780.db2.gz LGZPOTDITWTWGO-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001280961852 904249793 /nfs/dbraw/zinc/24/97/93/904249793.db2.gz LGZPOTDITWTWGO-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001281142909 904469275 /nfs/dbraw/zinc/46/92/75/904469275.db2.gz LKLKKLWHZRTNME-SJLPKXTDSA-N 2 1 323.481 1.380 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001392619905 904632264 /nfs/dbraw/zinc/63/22/64/904632264.db2.gz RTLQMBQGEVHBRB-ZDUSSCGKSA-N 2 1 320.412 1.632 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281457605 904882074 /nfs/dbraw/zinc/88/20/74/904882074.db2.gz QBMYLTIHLLGBOI-GOEBONIOSA-N 2 1 302.422 1.432 20 30 DDEDMP COCC#CC[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001283456356 907379239 /nfs/dbraw/zinc/37/92/39/907379239.db2.gz BWYWPGWHSAXFFY-DLBZAZTESA-N 2 1 323.481 1.099 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000329534774 539305347 /nfs/dbraw/zinc/30/53/47/539305347.db2.gz YVFJYKRZKQJJLN-LSDHHAIUSA-N 2 1 322.453 1.122 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)NCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000329534774 539305349 /nfs/dbraw/zinc/30/53/49/539305349.db2.gz YVFJYKRZKQJJLN-LSDHHAIUSA-N 2 1 322.453 1.122 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)NCCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC000329534774 539305350 /nfs/dbraw/zinc/30/53/50/539305350.db2.gz YVFJYKRZKQJJLN-LSDHHAIUSA-N 2 1 322.453 1.122 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000294036318 222776638 /nfs/dbraw/zinc/77/66/38/222776638.db2.gz RXFRANNGKPFRLX-UHFFFAOYSA-N 2 1 313.445 1.967 20 30 DDEDMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000173359957 198206203 /nfs/dbraw/zinc/20/62/03/198206203.db2.gz MWHHQOUCMYUICS-UHFFFAOYSA-N 2 1 303.406 1.767 20 30 DDEDMP Cc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000083151092 353706096 /nfs/dbraw/zinc/70/60/96/353706096.db2.gz LDDVSBMUZQNELM-UHFFFAOYSA-N 2 1 304.438 1.164 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000592495164 355600001 /nfs/dbraw/zinc/60/00/01/355600001.db2.gz HZBHPWFNWQTCSA-SJORKVTESA-N 2 1 300.406 1.672 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000596424648 356874848 /nfs/dbraw/zinc/87/48/48/356874848.db2.gz IVJRTMJITUIJON-UHFFFAOYSA-N 2 1 320.397 1.344 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(N)c([N+](=O)[O-])c(C#N)c1 ZINC000596424648 356874852 /nfs/dbraw/zinc/87/48/52/356874852.db2.gz IVJRTMJITUIJON-UHFFFAOYSA-N 2 1 320.397 1.344 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000598598517 357647776 /nfs/dbraw/zinc/64/77/76/357647776.db2.gz AFZODMWQFGTVSO-IKGGRYGDSA-N 2 1 322.497 1.245 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC2(C#N)CCOCC2)CC[N@@H+]1C ZINC000599316680 357889910 /nfs/dbraw/zinc/88/99/10/357889910.db2.gz ORHOXKFBZXRFPB-OWCLPIDISA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)CC2(C#N)CCOCC2)CC[N@H+]1C ZINC000599316680 357889914 /nfs/dbraw/zinc/88/99/14/357889914.db2.gz ORHOXKFBZXRFPB-OWCLPIDISA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CC[NH+]1C ZINC000599316680 357889918 /nfs/dbraw/zinc/88/99/18/357889918.db2.gz ORHOXKFBZXRFPB-OWCLPIDISA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CC[NH+]1C ZINC000599316680 357889922 /nfs/dbraw/zinc/88/99/22/357889922.db2.gz ORHOXKFBZXRFPB-OWCLPIDISA-N 2 1 309.454 1.472 20 30 DDEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC(C)(C)CCC#N ZINC000343927121 223328421 /nfs/dbraw/zinc/32/84/21/223328421.db2.gz VFTUYCZOMRTKDW-OAHLLOKOSA-N 2 1 308.470 1.849 20 30 DDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC(C)(C)CCC#N ZINC000343927121 223328422 /nfs/dbraw/zinc/32/84/22/223328422.db2.gz VFTUYCZOMRTKDW-OAHLLOKOSA-N 2 1 308.470 1.849 20 30 DDEDMP C=CC[C@@H]1CC[NH+](CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000625702577 367098749 /nfs/dbraw/zinc/09/87/49/367098749.db2.gz HHPFFFGRIRSBPZ-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000104153968 407348284 /nfs/dbraw/zinc/34/82/84/407348284.db2.gz KEZLZZBAUQXPDY-CYBMUJFWSA-N 2 1 306.410 1.915 20 30 DDEDMP C=C(C)CS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000184414816 408611578 /nfs/dbraw/zinc/61/15/78/408611578.db2.gz VDNMOLCRDPETIF-OAHLLOKOSA-N 2 1 317.499 1.240 20 30 DDEDMP C=C(C)CS(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000184414816 408611581 /nfs/dbraw/zinc/61/15/81/408611581.db2.gz VDNMOLCRDPETIF-OAHLLOKOSA-N 2 1 317.499 1.240 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)N1 ZINC000284934256 409372705 /nfs/dbraw/zinc/37/27/05/409372705.db2.gz CTMUXGYYHAAZDV-WBVHZDCISA-N 2 1 315.465 1.303 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)N1 ZINC000284934256 409372710 /nfs/dbraw/zinc/37/27/10/409372710.db2.gz CTMUXGYYHAAZDV-WBVHZDCISA-N 2 1 315.465 1.303 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)N1 ZINC000284934256 409372714 /nfs/dbraw/zinc/37/27/14/409372714.db2.gz CTMUXGYYHAAZDV-WBVHZDCISA-N 2 1 315.465 1.303 20 30 DDEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000170912701 221748808 /nfs/dbraw/zinc/74/88/08/221748808.db2.gz FPNOJVVRPFNSGH-UHFFFAOYSA-N 2 1 317.437 1.194 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734546 222181689 /nfs/dbraw/zinc/18/16/89/222181689.db2.gz LEMRTICETDWULI-CQSZACIVSA-N 2 1 322.453 1.195 20 30 DDEDMP CO[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000367464943 418600101 /nfs/dbraw/zinc/60/01/01/418600101.db2.gz WRIFUZUCUZNPJO-QZTJIDSGSA-N 2 1 308.466 1.992 20 30 DDEDMP CC[NH+]=C(NCc1nccs1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262021843 222270968 /nfs/dbraw/zinc/27/09/68/222270968.db2.gz ZABGDTXFQFGBNH-WCQYABFASA-N 2 1 307.467 1.681 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC3=[NH+]CCN3C)cc2)C[C@H](C)O1 ZINC000262668434 222288508 /nfs/dbraw/zinc/28/85/08/222288508.db2.gz PWRXCGAWYQFVTI-GASCZTMLSA-N 2 1 316.449 1.687 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424140069 228234202 /nfs/dbraw/zinc/23/42/02/228234202.db2.gz AXPPVYMKDWGSGT-XUWVNRHRSA-N 2 1 322.453 1.108 20 30 DDEDMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424147541 228236299 /nfs/dbraw/zinc/23/62/99/228236299.db2.gz ROHYPPJWYMACEO-DJIMGWMZSA-N 2 1 314.433 1.787 20 30 DDEDMP C=CC[C@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000519612009 421708007 /nfs/dbraw/zinc/70/80/07/421708007.db2.gz LHEZNLKFQYOLLB-MRXNPFEDSA-N 2 1 323.481 1.236 20 30 DDEDMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398660 267052419 /nfs/dbraw/zinc/05/24/19/267052419.db2.gz UVWSZTBDEDAVOO-NVXWUHKLSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398660 267052421 /nfs/dbraw/zinc/05/24/21/267052421.db2.gz UVWSZTBDEDAVOO-NVXWUHKLSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398660 267052424 /nfs/dbraw/zinc/05/24/24/267052424.db2.gz UVWSZTBDEDAVOO-NVXWUHKLSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528398660 267052425 /nfs/dbraw/zinc/05/24/25/267052425.db2.gz UVWSZTBDEDAVOO-NVXWUHKLSA-N 2 1 317.433 1.572 20 30 DDEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000329398758 298245439 /nfs/dbraw/zinc/24/54/39/298245439.db2.gz AMATYOQQRIXJBG-OAGGEKHMSA-N 2 1 324.469 1.085 20 30 DDEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000329398758 298245442 /nfs/dbraw/zinc/24/54/42/298245442.db2.gz AMATYOQQRIXJBG-OAGGEKHMSA-N 2 1 324.469 1.085 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(CC(=O)OC)CC2)CC1 ZINC000136396484 341258387 /nfs/dbraw/zinc/25/83/87/341258387.db2.gz MOQFIOAEJGMVGF-UHFFFAOYSA-N 2 1 309.454 1.254 20 30 DDEDMP COCC#CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000677819859 486547929 /nfs/dbraw/zinc/54/79/29/486547929.db2.gz CBKPZIXKBKECIC-UHFFFAOYSA-N 2 1 321.509 1.764 20 30 DDEDMP C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696938 526314126 /nfs/dbraw/zinc/31/41/26/526314126.db2.gz WIIKQMGDZPLBPJ-SFHVURJKSA-N 2 1 315.461 1.914 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000491071456 526827545 /nfs/dbraw/zinc/82/75/45/526827545.db2.gz KUQNHGMOZSDMAG-UHFFFAOYSA-N 2 1 305.388 1.948 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000491071456 526827546 /nfs/dbraw/zinc/82/75/46/526827546.db2.gz KUQNHGMOZSDMAG-UHFFFAOYSA-N 2 1 305.388 1.948 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000491716192 526915321 /nfs/dbraw/zinc/91/53/21/526915321.db2.gz MFCVECKXJINIRC-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000342722710 527321231 /nfs/dbraw/zinc/32/12/31/527321231.db2.gz AUAHGCOJLXTAPT-UHFFFAOYSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCC[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000342722710 527321236 /nfs/dbraw/zinc/32/12/36/527321236.db2.gz AUAHGCOJLXTAPT-UHFFFAOYSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980241469 696716779 /nfs/dbraw/zinc/71/67/79/696716779.db2.gz QZZNMIUXILLESV-ARFHVFGLSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980241469 696716780 /nfs/dbraw/zinc/71/67/80/696716780.db2.gz QZZNMIUXILLESV-ARFHVFGLSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](CC)C[C@H]3C2)CC1 ZINC000980252364 696719322 /nfs/dbraw/zinc/71/93/22/696719322.db2.gz IBZSWUZLEBHFIF-KZNAEPCWSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000971678857 695060329 /nfs/dbraw/zinc/06/03/29/695060329.db2.gz PJTSPODLKHLNMM-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000971678857 695060332 /nfs/dbraw/zinc/06/03/32/695060332.db2.gz PJTSPODLKHLNMM-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974946260 695764350 /nfs/dbraw/zinc/76/43/50/695764350.db2.gz LKYSKHJBZUXYCT-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946260 695764352 /nfs/dbraw/zinc/76/43/52/695764352.db2.gz LKYSKHJBZUXYCT-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946260 695764354 /nfs/dbraw/zinc/76/43/54/695764354.db2.gz LKYSKHJBZUXYCT-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977613102 696234706 /nfs/dbraw/zinc/23/47/06/696234706.db2.gz IDXROGMKSMBGDO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977613102 696234708 /nfs/dbraw/zinc/23/47/08/696234708.db2.gz IDXROGMKSMBGDO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977613102 696234711 /nfs/dbraw/zinc/23/47/11/696234711.db2.gz IDXROGMKSMBGDO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977613102 696234712 /nfs/dbraw/zinc/23/47/12/696234712.db2.gz IDXROGMKSMBGDO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980181919 696702332 /nfs/dbraw/zinc/70/23/32/696702332.db2.gz BIIBZEANJMGAAC-RCCFBDPRSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981227115 697040268 /nfs/dbraw/zinc/04/02/68/697040268.db2.gz DGJHEUATUNCJMU-KBPBESRZSA-N 2 1 310.829 1.961 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308269 697089755 /nfs/dbraw/zinc/08/97/55/697089755.db2.gz VNBTYQRVIXIHKK-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308269 697089758 /nfs/dbraw/zinc/08/97/58/697089758.db2.gz VNBTYQRVIXIHKK-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982308269 697089759 /nfs/dbraw/zinc/08/97/59/697089759.db2.gz VNBTYQRVIXIHKK-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982740462 697174977 /nfs/dbraw/zinc/17/49/77/697174977.db2.gz KBTJGHSTUPJTJC-HDICACEKSA-N 2 1 317.477 1.829 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000985599185 697540120 /nfs/dbraw/zinc/54/01/20/697540120.db2.gz AVYDJUVDYKCPKA-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000985599185 697540123 /nfs/dbraw/zinc/54/01/23/697540123.db2.gz AVYDJUVDYKCPKA-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985599185 697540124 /nfs/dbraw/zinc/54/01/24/697540124.db2.gz AVYDJUVDYKCPKA-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985599185 697540125 /nfs/dbraw/zinc/54/01/25/697540125.db2.gz AVYDJUVDYKCPKA-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C[C@@H]1CNC(NN=C2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)=[NH+]1 ZINC000779792049 698465737 /nfs/dbraw/zinc/46/57/37/698465737.db2.gz NWMBLOPZKJZGLE-QWHCGFSZSA-N 2 1 300.410 1.217 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000303890306 698609618 /nfs/dbraw/zinc/60/96/18/698609618.db2.gz MNTSCVKAXHIELX-GFCCVEGCSA-N 2 1 318.421 1.915 20 30 DDEDMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000305769745 698654753 /nfs/dbraw/zinc/65/47/53/698654753.db2.gz JIPAVGSQEACVTM-GDBMZVCRSA-N 2 1 303.406 1.696 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990612219 699107502 /nfs/dbraw/zinc/10/75/02/699107502.db2.gz HAXRUJDDZWQCDT-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990612219 699107504 /nfs/dbraw/zinc/10/75/04/699107504.db2.gz HAXRUJDDZWQCDT-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000990612219 699107505 /nfs/dbraw/zinc/10/75/05/699107505.db2.gz HAXRUJDDZWQCDT-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990616821 699109905 /nfs/dbraw/zinc/10/99/05/699109905.db2.gz SSQSWRMBBQLFEO-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990616821 699109906 /nfs/dbraw/zinc/10/99/06/699109906.db2.gz SSQSWRMBBQLFEO-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990616821 699109909 /nfs/dbraw/zinc/10/99/09/699109909.db2.gz SSQSWRMBBQLFEO-ZHALLVOQSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000787285251 699202588 /nfs/dbraw/zinc/20/25/88/699202588.db2.gz XSOLHQXKYSPEQD-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841910935 702615755 /nfs/dbraw/zinc/61/57/55/702615755.db2.gz VRFUGDBQCRWLMP-IRXDYDNUSA-N 2 1 320.481 1.363 20 30 DDEDMP N#Cc1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000843072624 702813591 /nfs/dbraw/zinc/81/35/91/702813591.db2.gz JMSRBTSJNHJQDK-QZTJIDSGSA-N 2 1 317.433 1.418 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)C(C)C ZINC000848991496 703607896 /nfs/dbraw/zinc/60/78/96/703607896.db2.gz JMDWFWZFISBSMP-JKSUJKDBSA-N 2 1 308.470 1.930 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702965 706769025 /nfs/dbraw/zinc/76/90/25/706769025.db2.gz FRHRWSASXCIAHF-BLLLJJGKSA-N 2 1 310.442 1.084 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702965 706769027 /nfs/dbraw/zinc/76/90/27/706769027.db2.gz FRHRWSASXCIAHF-BLLLJJGKSA-N 2 1 310.442 1.084 20 30 DDEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000819264661 704097299 /nfs/dbraw/zinc/09/72/99/704097299.db2.gz AOFYOIOSMRUXFG-YJBOKZPZSA-N 2 1 317.433 1.682 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852854137 704148931 /nfs/dbraw/zinc/14/89/31/704148931.db2.gz CXTONYZZBZKVHY-SFHVURJKSA-N 2 1 311.429 1.380 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852858503 704150374 /nfs/dbraw/zinc/15/03/74/704150374.db2.gz BNYSIWDTENJVDR-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877450861 706109971 /nfs/dbraw/zinc/10/99/71/706109971.db2.gz HCJUNOUSIDXVPQ-KSZLIROESA-N 2 1 324.428 1.440 20 30 DDEDMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877450861 706109973 /nfs/dbraw/zinc/10/99/73/706109973.db2.gz HCJUNOUSIDXVPQ-KSZLIROESA-N 2 1 324.428 1.440 20 30 DDEDMP C=CC[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878001593 706261955 /nfs/dbraw/zinc/26/19/55/706261955.db2.gz VVFBKARGIBSTHG-UHFFFAOYSA-N 2 1 315.461 1.928 20 30 DDEDMP C=CC[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878001593 706261959 /nfs/dbraw/zinc/26/19/59/706261959.db2.gz VVFBKARGIBSTHG-UHFFFAOYSA-N 2 1 315.461 1.928 20 30 DDEDMP C#CCOCC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCOCC#C)CC1 ZINC000886387120 708752032 /nfs/dbraw/zinc/75/20/32/708752032.db2.gz UFGQIIPJYSXODM-IYARVYRRSA-N 2 1 306.450 1.461 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000913365181 713205028 /nfs/dbraw/zinc/20/50/28/713205028.db2.gz SLBLXKKCEWKHOX-UHFFFAOYSA-N 2 1 316.449 1.276 20 30 DDEDMP CC(C)(C)NC(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)=[NH+]CC1CC1 ZINC000912505949 711356784 /nfs/dbraw/zinc/35/67/84/711356784.db2.gz KHYLBMLIMKXBEQ-HUUCEWRRSA-N 2 1 308.470 1.593 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000919628742 713623417 /nfs/dbraw/zinc/62/34/17/713623417.db2.gz XURJXTSTQATWOH-MRXNPFEDSA-N 2 1 318.465 1.210 20 30 DDEDMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923414203 714347948 /nfs/dbraw/zinc/34/79/48/714347948.db2.gz KTVXGYDPGCZLNX-OAHLLOKOSA-N 2 1 303.406 1.372 20 30 DDEDMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923414203 714347949 /nfs/dbraw/zinc/34/79/49/714347949.db2.gz KTVXGYDPGCZLNX-OAHLLOKOSA-N 2 1 303.406 1.372 20 30 DDEDMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933748891 714662556 /nfs/dbraw/zinc/66/25/56/714662556.db2.gz WIUNXNDHMFCZKZ-NUJGCVRESA-N 2 1 315.417 1.181 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933748891 714662557 /nfs/dbraw/zinc/66/25/57/714662557.db2.gz WIUNXNDHMFCZKZ-NUJGCVRESA-N 2 1 315.417 1.181 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933748891 714662558 /nfs/dbraw/zinc/66/25/58/714662558.db2.gz WIUNXNDHMFCZKZ-NUJGCVRESA-N 2 1 315.417 1.181 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933748891 714662559 /nfs/dbraw/zinc/66/25/59/714662559.db2.gz WIUNXNDHMFCZKZ-NUJGCVRESA-N 2 1 315.417 1.181 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000960323291 716491328 /nfs/dbraw/zinc/49/13/28/716491328.db2.gz FONWAGSGWSAGIY-LSBZLQRGSA-N 2 1 311.429 1.333 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940647210 716894911 /nfs/dbraw/zinc/89/49/11/716894911.db2.gz NPQMWVZKSFUMAZ-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940647210 716894916 /nfs/dbraw/zinc/89/49/16/716894916.db2.gz NPQMWVZKSFUMAZ-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647210 716894920 /nfs/dbraw/zinc/89/49/20/716894920.db2.gz NPQMWVZKSFUMAZ-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647210 716894924 /nfs/dbraw/zinc/89/49/24/716894924.db2.gz NPQMWVZKSFUMAZ-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940864363 717001552 /nfs/dbraw/zinc/00/15/52/717001552.db2.gz KZPOAYGERSHXCU-INIZCTEOSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942171982 717522537 /nfs/dbraw/zinc/52/25/37/717522537.db2.gz HVEIIUQMRKUABX-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963313250 717737636 /nfs/dbraw/zinc/73/76/36/717737636.db2.gz FSSRLICQOIVFQG-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963313250 717737639 /nfs/dbraw/zinc/73/76/39/717737639.db2.gz FSSRLICQOIVFQG-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963313250 717737642 /nfs/dbraw/zinc/73/76/42/717737642.db2.gz FSSRLICQOIVFQG-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC=C)CC1 ZINC000963470020 717801570 /nfs/dbraw/zinc/80/15/70/717801570.db2.gz BXXDIABTHSGOEL-JCYILVPMSA-N 2 1 303.450 1.629 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC=C)CC1 ZINC000963470020 717801573 /nfs/dbraw/zinc/80/15/73/717801573.db2.gz BXXDIABTHSGOEL-JCYILVPMSA-N 2 1 303.450 1.629 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943877512 718213995 /nfs/dbraw/zinc/21/39/95/718213995.db2.gz ODDMEZANZYZJME-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)C[C@@H]2C)CC1 ZINC000945184207 718416656 /nfs/dbraw/zinc/41/66/56/718416656.db2.gz VOZNJRLTEWYRBV-FUHWJXTLSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966904823 718704720 /nfs/dbraw/zinc/70/47/20/718704720.db2.gz UMUMVSUZMOIQEN-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1C ZINC000947919912 719307644 /nfs/dbraw/zinc/30/76/44/719307644.db2.gz AQJODNALASNMAU-CABCVRRESA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C)[C@@H](C)C2)CC1 ZINC000948070595 719350116 /nfs/dbraw/zinc/35/01/16/719350116.db2.gz RFMMPFHVIFDFRM-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948717255 719667012 /nfs/dbraw/zinc/66/70/12/719667012.db2.gz PRFZMUAWFZSOFY-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717255 719667013 /nfs/dbraw/zinc/66/70/13/719667013.db2.gz PRFZMUAWFZSOFY-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717255 719667014 /nfs/dbraw/zinc/66/70/14/719667014.db2.gz PRFZMUAWFZSOFY-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968881918 719840166 /nfs/dbraw/zinc/84/01/66/719840166.db2.gz BWDVMCLINNHOGA-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968881918 719840170 /nfs/dbraw/zinc/84/01/70/719840170.db2.gz BWDVMCLINNHOGA-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968881918 719840175 /nfs/dbraw/zinc/84/01/75/719840175.db2.gz BWDVMCLINNHOGA-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968888282 719845528 /nfs/dbraw/zinc/84/55/28/719845528.db2.gz SIIIDGIOTBZAFN-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888282 719845533 /nfs/dbraw/zinc/84/55/33/719845533.db2.gz SIIIDGIOTBZAFN-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888282 719845537 /nfs/dbraw/zinc/84/55/37/719845537.db2.gz SIIIDGIOTBZAFN-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000968954611 719896473 /nfs/dbraw/zinc/89/64/73/719896473.db2.gz NDEPWOAGYAABIV-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC000968954611 719896478 /nfs/dbraw/zinc/89/64/78/719896478.db2.gz NDEPWOAGYAABIV-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC000949141845 719927470 /nfs/dbraw/zinc/92/74/70/719927470.db2.gz MZVQWRYUDVBTHT-UHFFFAOYSA-N 2 1 318.421 1.071 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153565 719978914 /nfs/dbraw/zinc/97/89/14/719978914.db2.gz KAMSVRWEISGEQV-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153565 719978916 /nfs/dbraw/zinc/97/89/16/719978916.db2.gz KAMSVRWEISGEQV-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153565 719978919 /nfs/dbraw/zinc/97/89/19/719978919.db2.gz KAMSVRWEISGEQV-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153565 719978921 /nfs/dbraw/zinc/97/89/21/719978921.db2.gz KAMSVRWEISGEQV-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969833374 720525574 /nfs/dbraw/zinc/52/55/74/720525574.db2.gz MNVYTERPRNBRLT-JKSUJKDBSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970712711 720902873 /nfs/dbraw/zinc/90/28/73/720902873.db2.gz CARZUEVWBPIMQQ-AWEZNQCLSA-N 2 1 303.450 1.178 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000970911532 720982832 /nfs/dbraw/zinc/98/28/32/720982832.db2.gz VLXKCVWPRGIWKV-ZBFHGGJFSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000970911532 720982836 /nfs/dbraw/zinc/98/28/36/720982836.db2.gz VLXKCVWPRGIWKV-ZBFHGGJFSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023553067 735307621 /nfs/dbraw/zinc/30/76/21/735307621.db2.gz UZYBFMZRDNHFSK-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023553067 735307625 /nfs/dbraw/zinc/30/76/25/735307625.db2.gz UZYBFMZRDNHFSK-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023553067 735307630 /nfs/dbraw/zinc/30/76/30/735307630.db2.gz UZYBFMZRDNHFSK-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025601843 736779818 /nfs/dbraw/zinc/77/98/18/736779818.db2.gz VOAVTBQDQYTPFS-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001167236290 732851891 /nfs/dbraw/zinc/85/18/91/732851891.db2.gz JLZJSEVJUIRZNA-HOTGVXAUSA-N 2 1 323.481 1.263 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756422 733289305 /nfs/dbraw/zinc/28/93/05/733289305.db2.gz HQOJXZWCJOLRHQ-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041757517 733291573 /nfs/dbraw/zinc/29/15/73/733291573.db2.gz XUDLHUQZRQMFSH-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605017 733361095 /nfs/dbraw/zinc/36/10/95/733361095.db2.gz ITXAVQQRSIRMRR-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605017 733361102 /nfs/dbraw/zinc/36/11/02/733361102.db2.gz ITXAVQQRSIRMRR-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605017 733361105 /nfs/dbraw/zinc/36/11/05/733361105.db2.gz ITXAVQQRSIRMRR-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC=C)C1 ZINC001104306310 733421660 /nfs/dbraw/zinc/42/16/60/733421660.db2.gz XHVVSBGWTJSJKJ-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCC=C)C1 ZINC001104306310 733421662 /nfs/dbraw/zinc/42/16/62/733421662.db2.gz XHVVSBGWTJSJKJ-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247213 734899620 /nfs/dbraw/zinc/89/96/20/734899620.db2.gz IGWUBDJKTXEJGY-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247213 734899621 /nfs/dbraw/zinc/89/96/21/734899621.db2.gz IGWUBDJKTXEJGY-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247213 734899622 /nfs/dbraw/zinc/89/96/22/734899622.db2.gz IGWUBDJKTXEJGY-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247213 734899623 /nfs/dbraw/zinc/89/96/23/734899623.db2.gz IGWUBDJKTXEJGY-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001023084320 735030439 /nfs/dbraw/zinc/03/04/39/735030439.db2.gz NHTFEJAVWFLYKM-YESZJQIVSA-N 2 1 312.417 1.247 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023421555 735225167 /nfs/dbraw/zinc/22/51/67/735225167.db2.gz CAMWZCBCMUYHKF-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023421555 735225170 /nfs/dbraw/zinc/22/51/70/735225170.db2.gz CAMWZCBCMUYHKF-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001023421555 735225174 /nfs/dbraw/zinc/22/51/74/735225174.db2.gz CAMWZCBCMUYHKF-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC2CCC2)C1 ZINC001023421555 735225177 /nfs/dbraw/zinc/22/51/77/735225177.db2.gz CAMWZCBCMUYHKF-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023450975 735242826 /nfs/dbraw/zinc/24/28/26/735242826.db2.gz LCUMHJLFSAIXOX-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450975 735242829 /nfs/dbraw/zinc/24/28/29/735242829.db2.gz LCUMHJLFSAIXOX-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450975 735242833 /nfs/dbraw/zinc/24/28/33/735242833.db2.gz LCUMHJLFSAIXOX-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450975 735242834 /nfs/dbraw/zinc/24/28/34/735242834.db2.gz LCUMHJLFSAIXOX-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450975 735242837 /nfs/dbraw/zinc/24/28/37/735242837.db2.gz LCUMHJLFSAIXOX-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024437893 735826445 /nfs/dbraw/zinc/82/64/45/735826445.db2.gz YOMQSAFSRJUBLH-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437893 735826448 /nfs/dbraw/zinc/82/64/48/735826448.db2.gz YOMQSAFSRJUBLH-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024437893 735826450 /nfs/dbraw/zinc/82/64/50/735826450.db2.gz YOMQSAFSRJUBLH-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024467538 735849057 /nfs/dbraw/zinc/84/90/57/735849057.db2.gz GKQSOUJABSWAJA-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024467538 735849063 /nfs/dbraw/zinc/84/90/63/735849063.db2.gz GKQSOUJABSWAJA-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024476984 735854522 /nfs/dbraw/zinc/85/45/22/735854522.db2.gz IHBHWIDSXSEJJK-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024476984 735854525 /nfs/dbraw/zinc/85/45/25/735854525.db2.gz IHBHWIDSXSEJJK-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024739081 736057603 /nfs/dbraw/zinc/05/76/03/736057603.db2.gz XOEUOWYXZLDMEC-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC2)CC1 ZINC001024813173 736108600 /nfs/dbraw/zinc/10/86/00/736108600.db2.gz VWZPELJIOLPHQY-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017656870 736304346 /nfs/dbraw/zinc/30/43/46/736304346.db2.gz NWNHWKOWUPJLEN-IYBDPMFKSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001017656870 736304348 /nfs/dbraw/zinc/30/43/48/736304348.db2.gz NWNHWKOWUPJLEN-IYBDPMFKSA-N 2 1 303.450 1.724 20 30 DDEDMP CCNC(NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)=[NH+]CC ZINC000694969242 736479901 /nfs/dbraw/zinc/47/99/01/736479901.db2.gz NJRCGPNTWONZPI-KRWDZBQOSA-N 2 1 317.481 1.378 20 30 DDEDMP CCNC(NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)=[NH+]CC ZINC000694969242 736479902 /nfs/dbraw/zinc/47/99/02/736479902.db2.gz NJRCGPNTWONZPI-KRWDZBQOSA-N 2 1 317.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001028603901 739781843 /nfs/dbraw/zinc/78/18/43/739781843.db2.gz LGFMOPTUMNTBNF-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001028603901 739781846 /nfs/dbraw/zinc/78/18/46/739781846.db2.gz LGFMOPTUMNTBNF-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCC2)C1 ZINC001028603901 739781851 /nfs/dbraw/zinc/78/18/51/739781851.db2.gz LGFMOPTUMNTBNF-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCC2)C1 ZINC001028603901 739781852 /nfs/dbraw/zinc/78/18/52/739781852.db2.gz LGFMOPTUMNTBNF-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC(CC)CC)C1 ZINC001042960040 751488198 /nfs/dbraw/zinc/48/81/98/751488198.db2.gz KPDUSXJWNFBEGZ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CC(CC)CC)C1 ZINC001042960040 751488201 /nfs/dbraw/zinc/48/82/01/751488201.db2.gz KPDUSXJWNFBEGZ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569594 740658487 /nfs/dbraw/zinc/65/84/87/740658487.db2.gz DNXSCVAOUHEXIU-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087569594 740658488 /nfs/dbraw/zinc/65/84/88/740658488.db2.gz DNXSCVAOUHEXIU-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1CC ZINC001087569594 740658489 /nfs/dbraw/zinc/65/84/89/740658489.db2.gz DNXSCVAOUHEXIU-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088621079 742018019 /nfs/dbraw/zinc/01/80/19/742018019.db2.gz PDOVZFUFOCAGJZ-QLFBSQMISA-N 2 1 300.406 1.363 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088621079 742018021 /nfs/dbraw/zinc/01/80/21/742018021.db2.gz PDOVZFUFOCAGJZ-QLFBSQMISA-N 2 1 300.406 1.363 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001076397676 742701637 /nfs/dbraw/zinc/70/16/37/742701637.db2.gz YEVGHAUFUWPQMH-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCC)C[C@H]32)CC1 ZINC001076605448 742819022 /nfs/dbraw/zinc/81/90/22/742819022.db2.gz AYCXMGLTHINWKE-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001182718144 743696295 /nfs/dbraw/zinc/69/62/95/743696295.db2.gz CGJGYLKWASSFIN-CJNGLKHVSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001182718144 743696297 /nfs/dbraw/zinc/69/62/97/743696297.db2.gz CGJGYLKWASSFIN-CJNGLKHVSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001182806818 743729014 /nfs/dbraw/zinc/72/90/14/743729014.db2.gz NGDNWDFSUUQBDG-ZHALLVOQSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165362 743796619 /nfs/dbraw/zinc/79/66/19/743796619.db2.gz YSIHVCYUFRKEHW-JFIYKMOQSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185198886 744178524 /nfs/dbraw/zinc/17/85/24/744178524.db2.gz FHOMDCNONMMFDZ-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898670 744352157 /nfs/dbraw/zinc/35/21/57/744352157.db2.gz PXHFCXWFXOFSNF-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898670 744352158 /nfs/dbraw/zinc/35/21/58/744352158.db2.gz PXHFCXWFXOFSNF-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898670 744352161 /nfs/dbraw/zinc/35/21/61/744352161.db2.gz PXHFCXWFXOFSNF-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186974748 744480884 /nfs/dbraw/zinc/48/08/84/744480884.db2.gz CBTYBUIKSQWGLC-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992194818 744678478 /nfs/dbraw/zinc/67/84/78/744678478.db2.gz YADDOJXATJQUJU-JFIYKMOQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992194818 744678480 /nfs/dbraw/zinc/67/84/80/744678480.db2.gz YADDOJXATJQUJU-JFIYKMOQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992286799 744750165 /nfs/dbraw/zinc/75/01/65/744750165.db2.gz OLXSJGBNEVRQFX-MJGOQNOKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC#C)CC3)CCC[C@@H]12 ZINC000992503036 744923729 /nfs/dbraw/zinc/92/37/29/744923729.db2.gz CSFLAXGKBUOGBL-MJGOQNOKSA-N 2 1 313.445 1.078 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001190889400 745368531 /nfs/dbraw/zinc/36/85/31/745368531.db2.gz JSPJJDWGZMFECT-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255223 745472356 /nfs/dbraw/zinc/47/23/56/745472356.db2.gz KRIGJXCRDCXADE-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106274650 745513397 /nfs/dbraw/zinc/51/33/97/745513397.db2.gz PHAIJOKJUSACFP-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191987015 745658056 /nfs/dbraw/zinc/65/80/56/745658056.db2.gz CEEQASUIEHCABE-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191987015 745658058 /nfs/dbraw/zinc/65/80/58/745658058.db2.gz CEEQASUIEHCABE-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603211 745749420 /nfs/dbraw/zinc/74/94/20/745749420.db2.gz PFPVKNMJHWXRKC-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015603211 745749424 /nfs/dbraw/zinc/74/94/24/745749424.db2.gz PFPVKNMJHWXRKC-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015603211 745749428 /nfs/dbraw/zinc/74/94/28/745749428.db2.gz PFPVKNMJHWXRKC-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015603211 745749431 /nfs/dbraw/zinc/74/94/31/745749431.db2.gz PFPVKNMJHWXRKC-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993332155 746003511 /nfs/dbraw/zinc/00/35/11/746003511.db2.gz AVIURUNWBUSHOL-CABCVRRESA-N 2 1 319.453 1.213 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767549 746045537 /nfs/dbraw/zinc/04/55/37/746045537.db2.gz HWJMALILNVTYLR-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352525 746095520 /nfs/dbraw/zinc/09/55/20/746095520.db2.gz STGHYOCVJQVVBD-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352525 746095525 /nfs/dbraw/zinc/09/55/25/746095525.db2.gz STGHYOCVJQVVBD-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352525 746095530 /nfs/dbraw/zinc/09/55/30/746095530.db2.gz STGHYOCVJQVVBD-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352525 746095535 /nfs/dbraw/zinc/09/55/35/746095535.db2.gz STGHYOCVJQVVBD-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874537 746549217 /nfs/dbraw/zinc/54/92/17/746549217.db2.gz KAUAPWIUSQXQKA-IXDOHACOSA-N 2 1 323.481 1.215 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360882 752110624 /nfs/dbraw/zinc/11/06/24/752110624.db2.gz VEVODVWFNMTOOC-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492752 747102457 /nfs/dbraw/zinc/10/24/57/747102457.db2.gz OCZJEYWORAQILS-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492752 747102461 /nfs/dbraw/zinc/10/24/61/747102461.db2.gz OCZJEYWORAQILS-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089492752 747102467 /nfs/dbraw/zinc/10/24/67/747102467.db2.gz OCZJEYWORAQILS-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001007495420 752171965 /nfs/dbraw/zinc/17/19/65/752171965.db2.gz JMYWALAJCSHLMJ-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007495420 752171974 /nfs/dbraw/zinc/17/19/74/752171974.db2.gz JMYWALAJCSHLMJ-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)CN(C)Cc2ccccc2)CC1 ZINC001198364262 747464353 /nfs/dbraw/zinc/46/43/53/747464353.db2.gz NNPKNOKDQPBVLN-UHFFFAOYSA-N 2 1 313.445 1.676 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001198364262 747464356 /nfs/dbraw/zinc/46/43/56/747464356.db2.gz NNPKNOKDQPBVLN-UHFFFAOYSA-N 2 1 313.445 1.676 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001198364262 747464362 /nfs/dbraw/zinc/46/43/62/747464362.db2.gz NNPKNOKDQPBVLN-UHFFFAOYSA-N 2 1 313.445 1.676 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC001198364262 747464373 /nfs/dbraw/zinc/46/43/73/747464373.db2.gz NNPKNOKDQPBVLN-UHFFFAOYSA-N 2 1 313.445 1.676 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616254 747470414 /nfs/dbraw/zinc/47/04/14/747470414.db2.gz CZPAXXVPCSWFAT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616254 747470410 /nfs/dbraw/zinc/47/04/10/747470410.db2.gz CZPAXXVPCSWFAT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616254 747470417 /nfs/dbraw/zinc/47/04/17/747470417.db2.gz CZPAXXVPCSWFAT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722657 747701407 /nfs/dbraw/zinc/70/14/07/747701407.db2.gz CJMKXKGPQVOJCN-MRXNPFEDSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080159 748221801 /nfs/dbraw/zinc/22/18/01/748221801.db2.gz DJSGRYRVEQAFMT-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704135 748324452 /nfs/dbraw/zinc/32/44/52/748324452.db2.gz HJAUJWJEPXWOOD-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCOCC)CC1 ZINC001201094961 748409305 /nfs/dbraw/zinc/40/93/05/748409305.db2.gz YMCCPFXUBHOUPM-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCOCC)CC1 ZINC001201094961 748409307 /nfs/dbraw/zinc/40/93/07/748409307.db2.gz YMCCPFXUBHOUPM-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001201641526 748569863 /nfs/dbraw/zinc/56/98/63/748569863.db2.gz ZMRFWERTQDIKIE-UHFFFAOYSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033151082 748617769 /nfs/dbraw/zinc/61/77/69/748617769.db2.gz HYNUOVABMGVHOT-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033151082 748617772 /nfs/dbraw/zinc/61/77/72/748617772.db2.gz HYNUOVABMGVHOT-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996166120 749413335 /nfs/dbraw/zinc/41/33/35/749413335.db2.gz DEQWNFZOVFKCAD-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095405448 749722413 /nfs/dbraw/zinc/72/24/13/749722413.db2.gz VGVMIXVSSLLOPN-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001095405448 749722417 /nfs/dbraw/zinc/72/24/17/749722417.db2.gz VGVMIXVSSLLOPN-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095405448 749722422 /nfs/dbraw/zinc/72/24/22/749722422.db2.gz VGVMIXVSSLLOPN-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001095405448 749722426 /nfs/dbraw/zinc/72/24/26/749722426.db2.gz VGVMIXVSSLLOPN-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606112 750073656 /nfs/dbraw/zinc/07/36/56/750073656.db2.gz RUIBHHXBZSFJQO-PMPSAXMXSA-N 2 1 303.450 1.770 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546971 750116857 /nfs/dbraw/zinc/11/68/57/750116857.db2.gz VPJHRKJUJMCSHR-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546971 750116863 /nfs/dbraw/zinc/11/68/63/750116863.db2.gz VPJHRKJUJMCSHR-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546971 750116870 /nfs/dbraw/zinc/11/68/70/750116870.db2.gz VPJHRKJUJMCSHR-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001033935414 750165863 /nfs/dbraw/zinc/16/58/63/750165863.db2.gz FQZPSVSRJXZGQC-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033935414 750165868 /nfs/dbraw/zinc/16/58/68/750165868.db2.gz FQZPSVSRJXZGQC-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001033935414 750165876 /nfs/dbraw/zinc/16/58/76/750165876.db2.gz FQZPSVSRJXZGQC-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609638 750235036 /nfs/dbraw/zinc/23/50/36/750235036.db2.gz ZVLDFCFJTSVTTM-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC=C)C2)CC1 ZINC001034538003 750539903 /nfs/dbraw/zinc/53/99/03/750539903.db2.gz GYAIOQOBMNMRJY-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399830 762062697 /nfs/dbraw/zinc/06/26/97/762062697.db2.gz XUXAPVQSWHXJEE-KRWDZBQOSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034962006 751096102 /nfs/dbraw/zinc/09/61/02/751096102.db2.gz DAAAOUPVIAMFJJ-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCC1 ZINC001034962006 751096111 /nfs/dbraw/zinc/09/61/11/751096111.db2.gz DAAAOUPVIAMFJJ-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114852301 751235558 /nfs/dbraw/zinc/23/55/58/751235558.db2.gz PDZLNQCNXNXDDL-CBZIJGRNSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2CN(C)C)C1 ZINC001008341213 752682236 /nfs/dbraw/zinc/68/22/36/752682236.db2.gz IMGPCTUYZOSVIO-HNNXBMFYSA-N 2 1 303.406 1.559 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008341213 752682246 /nfs/dbraw/zinc/68/22/46/752682246.db2.gz IMGPCTUYZOSVIO-HNNXBMFYSA-N 2 1 303.406 1.559 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC=C)C2)CC1 ZINC001009624843 753285780 /nfs/dbraw/zinc/28/57/80/753285780.db2.gz ADFZOIQEZJTXBO-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCF)C2)CC1 ZINC001009629638 753288915 /nfs/dbraw/zinc/28/89/15/753288915.db2.gz UASPEODDAUTQGY-MRXNPFEDSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC001009630574 753289843 /nfs/dbraw/zinc/28/98/43/753289843.db2.gz XIHLKLHDQRFCMA-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnccc1N(C)C ZINC001032736398 753395685 /nfs/dbraw/zinc/39/56/85/753395685.db2.gz OHNHMBYRCGCYSV-KBPBESRZSA-N 2 1 300.406 1.622 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH+]ccc1N(C)C ZINC001032736398 753395691 /nfs/dbraw/zinc/39/56/91/753395691.db2.gz OHNHMBYRCGCYSV-KBPBESRZSA-N 2 1 300.406 1.622 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078224295 753876585 /nfs/dbraw/zinc/87/65/85/753876585.db2.gz CDSJJIRZQOZEID-IAGOWNOFSA-N 2 1 317.433 1.099 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756870 754496274 /nfs/dbraw/zinc/49/62/74/754496274.db2.gz MKJLBKSLSHNMMF-MRXNPFEDSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001832513 754543457 /nfs/dbraw/zinc/54/34/57/754543457.db2.gz GZOALPMMWMNKNO-MRXNPFEDSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001835015 754545003 /nfs/dbraw/zinc/54/50/03/754545003.db2.gz ULXICPHJWVZZEX-DOMZBBRYSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001835015 754545005 /nfs/dbraw/zinc/54/50/05/754545005.db2.gz ULXICPHJWVZZEX-DOMZBBRYSA-N 2 1 313.873 1.765 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188281 755754940 /nfs/dbraw/zinc/75/49/40/755754940.db2.gz BFDUUIDGTUBVSR-DJIMGWMZSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040210285 762440316 /nfs/dbraw/zinc/44/03/16/762440316.db2.gz UUBUUSHLYIFDRR-PKOBYXMFSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040241409 762454054 /nfs/dbraw/zinc/45/40/54/762454054.db2.gz NXEHZJFWDYYSSZ-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241409 762454057 /nfs/dbraw/zinc/45/40/57/762454057.db2.gz NXEHZJFWDYYSSZ-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241409 762454061 /nfs/dbraw/zinc/45/40/61/762454061.db2.gz NXEHZJFWDYYSSZ-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241136 756697647 /nfs/dbraw/zinc/69/76/47/756697647.db2.gz DGPHPUMIZVOMPG-IAGOWNOFSA-N 2 1 317.433 1.363 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](OC)C1 ZINC001082241136 756697649 /nfs/dbraw/zinc/69/76/49/756697649.db2.gz DGPHPUMIZVOMPG-IAGOWNOFSA-N 2 1 317.433 1.363 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040398419 762524629 /nfs/dbraw/zinc/52/46/29/762524629.db2.gz HZZDIJSXKXJTHI-FUHWJXTLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016670738 757252869 /nfs/dbraw/zinc/25/28/69/757252869.db2.gz RSUPJFMFPOFWLH-IRXDYDNUSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CC1CC1)CC2 ZINC001016670738 757252875 /nfs/dbraw/zinc/25/28/75/757252875.db2.gz RSUPJFMFPOFWLH-IRXDYDNUSA-N 2 1 315.461 1.465 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985550 757531941 /nfs/dbraw/zinc/53/19/41/757531941.db2.gz KHSBLEYWXNZUDV-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985550 757531944 /nfs/dbraw/zinc/53/19/44/757531944.db2.gz KHSBLEYWXNZUDV-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084471982 757590328 /nfs/dbraw/zinc/59/03/28/757590328.db2.gz WBAJSLGYEQJKLH-RHSMWYFYSA-N 2 1 308.385 1.422 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084471982 757590333 /nfs/dbraw/zinc/59/03/33/757590333.db2.gz WBAJSLGYEQJKLH-RHSMWYFYSA-N 2 1 308.385 1.422 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084779841 757907391 /nfs/dbraw/zinc/90/73/91/757907391.db2.gz BOLUGFUCUZPVTC-RHSMWYFYSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084779841 757907401 /nfs/dbraw/zinc/90/74/01/757907401.db2.gz BOLUGFUCUZPVTC-RHSMWYFYSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(C)C)CC2)CC1 ZINC001052952041 758001514 /nfs/dbraw/zinc/00/15/14/758001514.db2.gz AYGUJDYAZPEXNB-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955429 758005935 /nfs/dbraw/zinc/00/59/35/758005935.db2.gz FSQHUKKYJBWSNR-QGZVFWFLSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001017657402 758125991 /nfs/dbraw/zinc/12/59/91/758125991.db2.gz DACROYFDCWIBKO-BDXSIMOUSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017657402 758125996 /nfs/dbraw/zinc/12/59/96/758125996.db2.gz DACROYFDCWIBKO-BDXSIMOUSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017657402 758126002 /nfs/dbraw/zinc/12/60/02/758126002.db2.gz DACROYFDCWIBKO-BDXSIMOUSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001017657402 758126007 /nfs/dbraw/zinc/12/60/07/758126007.db2.gz DACROYFDCWIBKO-BDXSIMOUSA-N 2 1 315.461 1.702 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054100386 759166230 /nfs/dbraw/zinc/16/62/30/759166230.db2.gz ZIURBNJGHZFOOF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054100386 759166234 /nfs/dbraw/zinc/16/62/34/759166234.db2.gz ZIURBNJGHZFOOF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054100386 759166240 /nfs/dbraw/zinc/16/62/40/759166240.db2.gz ZIURBNJGHZFOOF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001085225403 759169549 /nfs/dbraw/zinc/16/95/49/759169549.db2.gz UXJKNLIHLDXTFS-GVDBMIGSSA-N 2 1 305.466 1.900 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054143947 759221135 /nfs/dbraw/zinc/22/11/35/759221135.db2.gz MQFFUGQYMNRTIS-KRWDZBQOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CC#C)C2 ZINC001054147586 759226456 /nfs/dbraw/zinc/22/64/56/759226456.db2.gz VAMZPDWPEYTYPB-PKOBYXMFSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1CC#C)C2 ZINC001054147586 759226460 /nfs/dbraw/zinc/22/64/60/759226460.db2.gz VAMZPDWPEYTYPB-PKOBYXMFSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC#C)C2)C1 ZINC001054147586 759226468 /nfs/dbraw/zinc/22/64/68/759226468.db2.gz VAMZPDWPEYTYPB-PKOBYXMFSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC#C)C2)C1 ZINC001054147586 759226475 /nfs/dbraw/zinc/22/64/75/759226475.db2.gz VAMZPDWPEYTYPB-PKOBYXMFSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085352592 759284448 /nfs/dbraw/zinc/28/44/48/759284448.db2.gz OEJAWXOBGTVJSX-ZACQAIPSSA-N 2 1 305.466 1.900 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001018963696 759455193 /nfs/dbraw/zinc/45/51/93/759455193.db2.gz VTHPAQJTARBMMF-GOEBONIOSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974277 760318846 /nfs/dbraw/zinc/31/88/46/760318846.db2.gz FKTGAXXGKLQWKM-ZJPYXAASSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974277 760318855 /nfs/dbraw/zinc/31/88/55/760318855.db2.gz FKTGAXXGKLQWKM-ZJPYXAASSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974277 760318866 /nfs/dbraw/zinc/31/88/66/760318866.db2.gz FKTGAXXGKLQWKM-ZJPYXAASSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974276 760319974 /nfs/dbraw/zinc/31/99/74/760319974.db2.gz FKTGAXXGKLQWKM-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974276 760319984 /nfs/dbraw/zinc/31/99/84/760319984.db2.gz FKTGAXXGKLQWKM-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974276 760319995 /nfs/dbraw/zinc/31/99/95/760319995.db2.gz FKTGAXXGKLQWKM-BDXSIMOUSA-N 2 1 317.477 1.994 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082443 761596796 /nfs/dbraw/zinc/59/67/96/761596796.db2.gz BRKYPJMMYZOJCS-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082443 761596803 /nfs/dbraw/zinc/59/68/03/761596803.db2.gz BRKYPJMMYZOJCS-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082443 761596808 /nfs/dbraw/zinc/59/68/08/761596808.db2.gz BRKYPJMMYZOJCS-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849002 762705179 /nfs/dbraw/zinc/70/51/79/762705179.db2.gz NAXXKGCPFOAAIU-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCCF)CC2)CC1 ZINC001001466685 762888588 /nfs/dbraw/zinc/88/85/88/762888588.db2.gz DTQYAIZDHMBHGO-UHFFFAOYSA-N 2 1 321.440 1.440 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001521045 762934519 /nfs/dbraw/zinc/93/45/19/762934519.db2.gz HDDOFSXZMJCLRA-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041296369 762941716 /nfs/dbraw/zinc/94/17/16/762941716.db2.gz GKKATYMFIBNEDQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296369 762941720 /nfs/dbraw/zinc/94/17/20/762941720.db2.gz GKKATYMFIBNEDQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041296369 762941725 /nfs/dbraw/zinc/94/17/25/762941725.db2.gz GKKATYMFIBNEDQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CCC)C2)C1 ZINC001041367893 762982294 /nfs/dbraw/zinc/98/22/94/762982294.db2.gz JAYPIJDPWNNOQD-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001041367893 762982301 /nfs/dbraw/zinc/98/23/01/762982301.db2.gz JAYPIJDPWNNOQD-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC)C2)C1 ZINC001041367893 762982305 /nfs/dbraw/zinc/98/23/05/762982305.db2.gz JAYPIJDPWNNOQD-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCC)C2)C1 ZINC001041367893 762982310 /nfs/dbraw/zinc/98/23/10/762982310.db2.gz JAYPIJDPWNNOQD-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041407749 763010234 /nfs/dbraw/zinc/01/02/34/763010234.db2.gz JAYRAPLSVPXHJC-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041407749 763010240 /nfs/dbraw/zinc/01/02/40/763010240.db2.gz JAYRAPLSVPXHJC-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041407749 763010246 /nfs/dbraw/zinc/01/02/46/763010246.db2.gz JAYRAPLSVPXHJC-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001050172944 763260951 /nfs/dbraw/zinc/26/09/51/763260951.db2.gz RYFZLHXJZVNCQR-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]21 ZINC001042115017 763668738 /nfs/dbraw/zinc/66/87/38/763668738.db2.gz QDXYADVTXKVPMR-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001050524221 763706263 /nfs/dbraw/zinc/70/62/63/763706263.db2.gz WMJYOYVDIDKJFQ-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC=C)[C@@H]3C2)CC1 ZINC001042368942 763972097 /nfs/dbraw/zinc/97/20/97/763972097.db2.gz TVJQIWKZALGSQQ-FUHWJXTLSA-N 2 1 315.461 1.440 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001050923596 764287658 /nfs/dbraw/zinc/28/76/58/764287658.db2.gz RXFLHNUATPOWMF-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001050923596 764287663 /nfs/dbraw/zinc/28/76/63/764287663.db2.gz RXFLHNUATPOWMF-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050923596 764287670 /nfs/dbraw/zinc/28/76/70/764287670.db2.gz RXFLHNUATPOWMF-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050923596 764287677 /nfs/dbraw/zinc/28/76/77/764287677.db2.gz RXFLHNUATPOWMF-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001050926707 764292464 /nfs/dbraw/zinc/29/24/64/764292464.db2.gz DSMMZEIWXKVOIG-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001050926707 764292469 /nfs/dbraw/zinc/29/24/69/764292469.db2.gz DSMMZEIWXKVOIG-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050926707 764292474 /nfs/dbraw/zinc/29/24/74/764292474.db2.gz DSMMZEIWXKVOIG-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050926707 764292478 /nfs/dbraw/zinc/29/24/78/764292478.db2.gz DSMMZEIWXKVOIG-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001111553090 764299793 /nfs/dbraw/zinc/29/97/93/764299793.db2.gz UKMJGBPQKFGQPN-INIZCTEOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131703764 768272022 /nfs/dbraw/zinc/27/20/22/768272022.db2.gz JDJWTLXFHKLVSZ-AEFFLSMTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131703764 768272027 /nfs/dbraw/zinc/27/20/27/768272027.db2.gz JDJWTLXFHKLVSZ-AEFFLSMTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131703764 768272030 /nfs/dbraw/zinc/27/20/30/768272030.db2.gz JDJWTLXFHKLVSZ-AEFFLSMTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045920853 766701182 /nfs/dbraw/zinc/70/11/82/766701182.db2.gz BUHXWMMJDVXWKG-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045920853 766701187 /nfs/dbraw/zinc/70/11/87/766701187.db2.gz BUHXWMMJDVXWKG-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045920853 766701191 /nfs/dbraw/zinc/70/11/91/766701191.db2.gz BUHXWMMJDVXWKG-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)cc1 ZINC001129418272 766878128 /nfs/dbraw/zinc/87/81/28/766878128.db2.gz TZOFVLNNFZAVML-INIZCTEOSA-N 2 1 323.400 1.538 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046576255 767705036 /nfs/dbraw/zinc/70/50/36/767705036.db2.gz RWUWBKPGTRQYOU-YJBOKZPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046576255 767705039 /nfs/dbraw/zinc/70/50/39/767705039.db2.gz RWUWBKPGTRQYOU-YJBOKZPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046625683 767748749 /nfs/dbraw/zinc/74/87/49/767748749.db2.gz JTEOCQXHDXYAJY-LJQANCHMSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001048532914 769503421 /nfs/dbraw/zinc/50/34/21/769503421.db2.gz LEPQDEBRRUXLTA-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001048532914 769503426 /nfs/dbraw/zinc/50/34/26/769503426.db2.gz LEPQDEBRRUXLTA-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001048532914 769503433 /nfs/dbraw/zinc/50/34/33/769503433.db2.gz LEPQDEBRRUXLTA-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001048532914 769503442 /nfs/dbraw/zinc/50/34/42/769503442.db2.gz LEPQDEBRRUXLTA-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133166517 769556547 /nfs/dbraw/zinc/55/65/47/769556547.db2.gz UQXBZTSTODAGJT-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(CC)CCO1)C2 ZINC001048588977 769562845 /nfs/dbraw/zinc/56/28/45/769562845.db2.gz XGYDPLOWQKZRNG-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001048588977 769562854 /nfs/dbraw/zinc/56/28/54/769562854.db2.gz XGYDPLOWQKZRNG-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001048588977 769562863 /nfs/dbraw/zinc/56/28/63/769562863.db2.gz XGYDPLOWQKZRNG-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001048588977 769562867 /nfs/dbraw/zinc/56/28/67/769562867.db2.gz XGYDPLOWQKZRNG-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001048588977 769562871 /nfs/dbraw/zinc/56/28/71/769562871.db2.gz XGYDPLOWQKZRNG-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133262046 769641757 /nfs/dbraw/zinc/64/17/57/769641757.db2.gz FWGORDMATIQZNV-DLBZAZTESA-N 2 1 307.482 1.816 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735510 769975608 /nfs/dbraw/zinc/97/56/08/769975608.db2.gz NITOVPYIGDICDY-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071735510 769975618 /nfs/dbraw/zinc/97/56/18/769975618.db2.gz NITOVPYIGDICDY-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001135 770231522 /nfs/dbraw/zinc/23/15/22/770231522.db2.gz LATUTZNJLOTHCZ-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001135 770231523 /nfs/dbraw/zinc/23/15/23/770231523.db2.gz LATUTZNJLOTHCZ-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001135 770231525 /nfs/dbraw/zinc/23/15/25/770231525.db2.gz LATUTZNJLOTHCZ-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001133867206 770387108 /nfs/dbraw/zinc/38/71/08/770387108.db2.gz ROVTWGRIXRLBSU-PBHICJAKSA-N 2 1 317.408 1.081 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049171993 770495605 /nfs/dbraw/zinc/49/56/05/770495605.db2.gz RAKBIMKEBORDPO-KFWWJZLASA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049171993 770495613 /nfs/dbraw/zinc/49/56/13/770495613.db2.gz RAKBIMKEBORDPO-KFWWJZLASA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049171993 770495617 /nfs/dbraw/zinc/49/56/17/770495617.db2.gz RAKBIMKEBORDPO-KFWWJZLASA-N 2 1 311.857 1.471 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086716763 770623600 /nfs/dbraw/zinc/62/36/00/770623600.db2.gz PVQVPTAIKUTCIY-GVDBMIGSSA-N 2 1 305.466 1.472 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049720013 771112564 /nfs/dbraw/zinc/11/25/64/771112564.db2.gz QIGLDFNLSBWQFS-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049720013 771112567 /nfs/dbraw/zinc/11/25/67/771112567.db2.gz QIGLDFNLSBWQFS-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049720013 771112571 /nfs/dbraw/zinc/11/25/71/771112571.db2.gz QIGLDFNLSBWQFS-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049725660 771116096 /nfs/dbraw/zinc/11/60/96/771116096.db2.gz YSMZSEIJMAXYFY-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049725660 771116099 /nfs/dbraw/zinc/11/60/99/771116099.db2.gz YSMZSEIJMAXYFY-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049725660 771116101 /nfs/dbraw/zinc/11/61/01/771116101.db2.gz YSMZSEIJMAXYFY-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049764094 771142683 /nfs/dbraw/zinc/14/26/83/771142683.db2.gz BRQLUBRVIYRNIB-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804583 771184754 /nfs/dbraw/zinc/18/47/54/771184754.db2.gz IZTKUJDPFFHFMM-STQMWFEESA-N 2 1 306.410 1.246 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847123 771204306 /nfs/dbraw/zinc/20/43/06/771204306.db2.gz ROGFQNXMOBFFLS-HUUCEWRRSA-N 2 1 323.868 1.900 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847123 771204309 /nfs/dbraw/zinc/20/43/09/771204309.db2.gz ROGFQNXMOBFFLS-HUUCEWRRSA-N 2 1 323.868 1.900 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049891344 771237091 /nfs/dbraw/zinc/23/70/91/771237091.db2.gz SLLYEYYCDDKVCU-QLFBSQMISA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001049891344 771237092 /nfs/dbraw/zinc/23/70/92/771237092.db2.gz SLLYEYYCDDKVCU-QLFBSQMISA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049891344 771237094 /nfs/dbraw/zinc/23/70/94/771237094.db2.gz SLLYEYYCDDKVCU-QLFBSQMISA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049891344 771237095 /nfs/dbraw/zinc/23/70/95/771237095.db2.gz SLLYEYYCDDKVCU-QLFBSQMISA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001049891345 771237211 /nfs/dbraw/zinc/23/72/11/771237211.db2.gz SLLYEYYCDDKVCU-RBSFLKMASA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001049891345 771237214 /nfs/dbraw/zinc/23/72/14/771237214.db2.gz SLLYEYYCDDKVCU-RBSFLKMASA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049891345 771237216 /nfs/dbraw/zinc/23/72/16/771237216.db2.gz SLLYEYYCDDKVCU-RBSFLKMASA-N 2 1 311.857 1.756 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049891345 771237219 /nfs/dbraw/zinc/23/72/19/771237219.db2.gz SLLYEYYCDDKVCU-RBSFLKMASA-N 2 1 311.857 1.756 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001147884594 773286080 /nfs/dbraw/zinc/28/60/80/773286080.db2.gz GIDYOOUMKYTIER-CQSZACIVSA-N 2 1 300.406 1.106 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292673 773434489 /nfs/dbraw/zinc/43/44/89/773434489.db2.gz PGJWJRRGUOZKJJ-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292673 773434492 /nfs/dbraw/zinc/43/44/92/773434492.db2.gz PGJWJRRGUOZKJJ-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292673 773434495 /nfs/dbraw/zinc/43/44/95/773434495.db2.gz PGJWJRRGUOZKJJ-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](O)C1 ZINC001099895972 773679500 /nfs/dbraw/zinc/67/95/00/773679500.db2.gz CEJVEARHRGVBHO-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](O)C1 ZINC001099895972 773679502 /nfs/dbraw/zinc/67/95/02/773679502.db2.gz CEJVEARHRGVBHO-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](O)C1 ZINC001099895972 773679506 /nfs/dbraw/zinc/67/95/06/773679506.db2.gz CEJVEARHRGVBHO-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086880412 773685753 /nfs/dbraw/zinc/68/57/53/773685753.db2.gz YJGCMHVTVPTIEO-XHSDSOJGSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086880412 773685757 /nfs/dbraw/zinc/68/57/57/773685757.db2.gz YJGCMHVTVPTIEO-XHSDSOJGSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086909900 773711343 /nfs/dbraw/zinc/71/13/43/773711343.db2.gz HONJLTJHGAXPCY-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910279 773712156 /nfs/dbraw/zinc/71/21/56/773712156.db2.gz QBLKDDWAIBXFCP-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074326756 773825162 /nfs/dbraw/zinc/82/51/62/773825162.db2.gz JZSQDBIYZLWZCU-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074326756 773825167 /nfs/dbraw/zinc/82/51/67/773825167.db2.gz JZSQDBIYZLWZCU-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092965320 774340390 /nfs/dbraw/zinc/34/03/90/774340390.db2.gz FSUOWJHFSPIEIQ-FVQBIDKESA-N 2 1 316.449 1.624 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001092965320 774340395 /nfs/dbraw/zinc/34/03/95/774340395.db2.gz FSUOWJHFSPIEIQ-FVQBIDKESA-N 2 1 316.449 1.624 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093086317 774383429 /nfs/dbraw/zinc/38/34/29/774383429.db2.gz RKFWZSAPZHXRQV-HUUCEWRRSA-N 2 1 323.400 1.198 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC001093086317 774383436 /nfs/dbraw/zinc/38/34/36/774383436.db2.gz RKFWZSAPZHXRQV-HUUCEWRRSA-N 2 1 323.400 1.198 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773922 774569622 /nfs/dbraw/zinc/56/96/22/774569622.db2.gz VYIIZEHOTAOFQR-YJBOKZPZSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841957 774691792 /nfs/dbraw/zinc/69/17/92/774691792.db2.gz UKPTZMOHUHGPHB-LNLFQRSKSA-N 2 1 315.461 1.322 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001099160337 774871187 /nfs/dbraw/zinc/87/11/87/774871187.db2.gz PDROFYOQBKYYCI-YCPHGPKFSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001099160337 774871196 /nfs/dbraw/zinc/87/11/96/774871196.db2.gz PDROFYOQBKYYCI-YCPHGPKFSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099160337 774871204 /nfs/dbraw/zinc/87/12/04/774871204.db2.gz PDROFYOQBKYYCI-YCPHGPKFSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001099160337 774871208 /nfs/dbraw/zinc/87/12/08/774871208.db2.gz PDROFYOQBKYYCI-YCPHGPKFSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001099306476 774940410 /nfs/dbraw/zinc/94/04/10/774940410.db2.gz GSXVHHJBCSMUHU-JHJVBQTASA-N 2 1 317.355 1.083 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001099306476 774940415 /nfs/dbraw/zinc/94/04/15/774940415.db2.gz GSXVHHJBCSMUHU-JHJVBQTASA-N 2 1 317.355 1.083 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854939 774943573 /nfs/dbraw/zinc/94/35/73/774943573.db2.gz STUCGIRITUYBQG-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854884 774943988 /nfs/dbraw/zinc/94/39/88/774943988.db2.gz RVOLRVYLHYVPFJ-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036870756 775008060 /nfs/dbraw/zinc/00/80/60/775008060.db2.gz AAWCSSWOMUWCBQ-HOTGVXAUSA-N 2 1 301.434 1.028 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099521793 775016236 /nfs/dbraw/zinc/01/62/36/775016236.db2.gz TXHSODFPEIUZQK-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100123717 775709493 /nfs/dbraw/zinc/70/94/93/775709493.db2.gz AYUQXZLDWNNUEJ-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450351 775888116 /nfs/dbraw/zinc/88/81/16/775888116.db2.gz MRPLZQPKXIORFA-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450351 775888122 /nfs/dbraw/zinc/88/81/22/775888122.db2.gz MRPLZQPKXIORFA-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450351 775888131 /nfs/dbraw/zinc/88/81/31/775888131.db2.gz MRPLZQPKXIORFA-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036895676 776007826 /nfs/dbraw/zinc/00/78/26/776007826.db2.gz BYKCFTSCZUGBPU-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036895676 776007835 /nfs/dbraw/zinc/00/78/35/776007835.db2.gz BYKCFTSCZUGBPU-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001100346148 776031779 /nfs/dbraw/zinc/03/17/79/776031779.db2.gz SXFGUWJMCJNXIK-WLYUNCDWSA-N 2 1 302.422 1.514 20 30 DDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172301465 776743410 /nfs/dbraw/zinc/74/34/10/776743410.db2.gz PELIIOXNGWWBEV-MRXNPFEDSA-N 2 1 300.450 1.716 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285346 777031418 /nfs/dbraw/zinc/03/14/18/777031418.db2.gz ZUJPAMWKNISXIG-QAPCUYQASA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285346 777031420 /nfs/dbraw/zinc/03/14/20/777031420.db2.gz ZUJPAMWKNISXIG-QAPCUYQASA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285346 777031428 /nfs/dbraw/zinc/03/14/28/777031428.db2.gz ZUJPAMWKNISXIG-QAPCUYQASA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001101542897 777233786 /nfs/dbraw/zinc/23/37/86/777233786.db2.gz JPFQOHKTWMUVEC-NVXWUHKLSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927334 777635550 /nfs/dbraw/zinc/63/55/50/777635550.db2.gz COCAXDZDAIIVMO-HOCLYGCPSA-N 2 1 316.449 1.652 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190576 777951383 /nfs/dbraw/zinc/95/13/83/777951383.db2.gz DRKKSKVDUANXLZ-SQNIBIBYSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372360 778104364 /nfs/dbraw/zinc/10/43/64/778104364.db2.gz FCBKEQGOEXQTBG-RKVPGOIHSA-N 2 1 323.456 1.516 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372360 778104368 /nfs/dbraw/zinc/10/43/68/778104368.db2.gz FCBKEQGOEXQTBG-RKVPGOIHSA-N 2 1 323.456 1.516 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372360 778104372 /nfs/dbraw/zinc/10/43/72/778104372.db2.gz FCBKEQGOEXQTBG-RKVPGOIHSA-N 2 1 323.456 1.516 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177157409 778466558 /nfs/dbraw/zinc/46/65/58/778466558.db2.gz RXIXUSLFPKUOPR-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177157409 778466563 /nfs/dbraw/zinc/46/65/63/778466563.db2.gz RXIXUSLFPKUOPR-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157409 778466565 /nfs/dbraw/zinc/46/65/65/778466565.db2.gz RXIXUSLFPKUOPR-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157409 778466569 /nfs/dbraw/zinc/46/65/69/778466569.db2.gz RXIXUSLFPKUOPR-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104033818 779258838 /nfs/dbraw/zinc/25/88/38/779258838.db2.gz IQAIDVSSSHVIQE-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104033818 779258843 /nfs/dbraw/zinc/25/88/43/779258843.db2.gz IQAIDVSSSHVIQE-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179388500 779368450 /nfs/dbraw/zinc/36/84/50/779368450.db2.gz JUOCIVZKWBVWSS-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179539249 779412405 /nfs/dbraw/zinc/41/24/05/779412405.db2.gz SIMANECOMMYQCL-QRTARXTBSA-N 2 1 316.449 1.909 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115305745 780023818 /nfs/dbraw/zinc/02/38/18/780023818.db2.gz CELQYSSPXSCLJR-VSZNYVQBSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCCCC1 ZINC001115609702 780267863 /nfs/dbraw/zinc/26/78/63/780267863.db2.gz DTBBDWBUTHIKDE-UHFFFAOYSA-N 2 1 318.421 1.392 20 30 DDEDMP C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001119344803 781413251 /nfs/dbraw/zinc/41/32/51/781413251.db2.gz AJOHKZTVIXLUES-INIZCTEOSA-N 2 1 321.440 1.994 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)no1 ZINC001267132647 837401283 /nfs/dbraw/zinc/40/12/83/837401283.db2.gz QQLJBVIHODEPEW-BBRMVZONSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)no1 ZINC001267132647 837401289 /nfs/dbraw/zinc/40/12/89/837401289.db2.gz QQLJBVIHODEPEW-BBRMVZONSA-N 2 1 318.421 1.065 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001266247807 835985227 /nfs/dbraw/zinc/98/52/27/835985227.db2.gz XABBWTZDXGPGBA-KRWDZBQOSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+](C)C(C)C ZINC001266247807 835985233 /nfs/dbraw/zinc/98/52/33/835985233.db2.gz XABBWTZDXGPGBA-KRWDZBQOSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001266247807 835985238 /nfs/dbraw/zinc/98/52/38/835985238.db2.gz XABBWTZDXGPGBA-KRWDZBQOSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266496039 836347546 /nfs/dbraw/zinc/34/75/46/836347546.db2.gz ZOJMXDJVPZPZOO-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001266495574 836348454 /nfs/dbraw/zinc/34/84/54/836348454.db2.gz PEOZCTYDCNXTHW-KRWDZBQOSA-N 2 1 305.466 1.856 20 30 DDEDMP C=C(Br)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001267081289 837308129 /nfs/dbraw/zinc/30/81/29/837308129.db2.gz HAGFHVVFEUQCDT-UHFFFAOYSA-N 2 1 315.215 1.148 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267548698 838287406 /nfs/dbraw/zinc/28/74/06/838287406.db2.gz LGSKVJNJALAZMQ-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267548698 838287417 /nfs/dbraw/zinc/28/74/17/838287417.db2.gz LGSKVJNJALAZMQ-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267708098 838691801 /nfs/dbraw/zinc/69/18/01/838691801.db2.gz JCAVTFZEOYYRMP-QGZVFWFLSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267820437 839030097 /nfs/dbraw/zinc/03/00/97/839030097.db2.gz QVRGJJFHUOKASS-PBHICJAKSA-N 2 1 311.445 1.707 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001268120663 839713673 /nfs/dbraw/zinc/71/36/73/839713673.db2.gz WYDPWBQPSQRETC-IRXDYDNUSA-N 2 1 305.466 1.759 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001268630606 840600775 /nfs/dbraw/zinc/60/07/75/840600775.db2.gz NFRIAFJATBQGLD-PLNGDYQASA-N 2 1 314.433 1.660 20 30 DDEDMP C=CC[NH2+]C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CCCC[C@@H]1C ZINC001269675773 841925915 /nfs/dbraw/zinc/92/59/15/841925915.db2.gz CJMGAMYSPOSOBA-WMZOPIPTSA-N 2 1 323.481 1.549 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001326436009 861367964 /nfs/dbraw/zinc/36/79/64/861367964.db2.gz AVRZPLPWTKFDIH-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001326436009 861367980 /nfs/dbraw/zinc/36/79/80/861367980.db2.gz AVRZPLPWTKFDIH-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C(C)C)CC1 ZINC001270885611 843011733 /nfs/dbraw/zinc/01/17/33/843011733.db2.gz MTGPBGMGXJJZAJ-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C(C)C)CC1 ZINC001270885611 843011743 /nfs/dbraw/zinc/01/17/43/843011743.db2.gz MTGPBGMGXJJZAJ-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001326489582 861403724 /nfs/dbraw/zinc/40/37/24/861403724.db2.gz JGGYSJLUQLCFAA-WBVHZDCISA-N 2 1 313.445 1.928 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001271744072 843832402 /nfs/dbraw/zinc/83/24/02/843832402.db2.gz OETXWYFDMFHCCD-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001271744072 843832408 /nfs/dbraw/zinc/83/24/08/843832408.db2.gz OETXWYFDMFHCCD-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001271744072 843832416 /nfs/dbraw/zinc/83/24/16/843832416.db2.gz OETXWYFDMFHCCD-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273100670 847908794 /nfs/dbraw/zinc/90/87/94/847908794.db2.gz BDVWUONRFCFZIR-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248783 848155170 /nfs/dbraw/zinc/15/51/70/848155170.db2.gz FXHQURDMJPPJKP-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248783 848155175 /nfs/dbraw/zinc/15/51/75/848155175.db2.gz FXHQURDMJPPJKP-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248783 848155179 /nfs/dbraw/zinc/15/51/79/848155179.db2.gz FXHQURDMJPPJKP-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248783 848155184 /nfs/dbraw/zinc/15/51/84/848155184.db2.gz FXHQURDMJPPJKP-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001034365192 848420380 /nfs/dbraw/zinc/42/03/80/848420380.db2.gz YPLGXLRICGYQCZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365192 848420384 /nfs/dbraw/zinc/42/03/84/848420384.db2.gz YPLGXLRICGYQCZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365192 848420387 /nfs/dbraw/zinc/42/03/87/848420387.db2.gz YPLGXLRICGYQCZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365192 848420392 /nfs/dbraw/zinc/42/03/92/848420392.db2.gz YPLGXLRICGYQCZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365192 848420394 /nfs/dbraw/zinc/42/03/94/848420394.db2.gz YPLGXLRICGYQCZ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144141 848563275 /nfs/dbraw/zinc/56/32/75/848563275.db2.gz NZTKXYMIWYCFRR-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144141 848563277 /nfs/dbraw/zinc/56/32/77/848563277.db2.gz NZTKXYMIWYCFRR-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)OCC1=O ZINC001273144141 848563278 /nfs/dbraw/zinc/56/32/78/848563278.db2.gz NZTKXYMIWYCFRR-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855397 861943973 /nfs/dbraw/zinc/94/39/73/861943973.db2.gz XSEWNWLWSZXSBA-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855397 861943984 /nfs/dbraw/zinc/94/39/84/861943984.db2.gz XSEWNWLWSZXSBA-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855397 861943995 /nfs/dbraw/zinc/94/39/95/861943995.db2.gz XSEWNWLWSZXSBA-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001327412225 862152988 /nfs/dbraw/zinc/15/29/88/862152988.db2.gz KGRYCTHMNBFAII-JKSUJKDBSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150435424 862240006 /nfs/dbraw/zinc/24/00/06/862240006.db2.gz ITHXJBABOVTAGI-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150435424 862240020 /nfs/dbraw/zinc/24/00/20/862240020.db2.gz ITHXJBABOVTAGI-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001317706337 851621433 /nfs/dbraw/zinc/62/14/33/851621433.db2.gz FZKIYPHOLHDIFR-UHFFFAOYSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274111352 851938133 /nfs/dbraw/zinc/93/81/33/851938133.db2.gz XEBPKQAFTRGJQL-SFHVURJKSA-N 2 1 308.385 1.534 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cccc3c[nH+]cn32)C1=O ZINC001274111352 851938141 /nfs/dbraw/zinc/93/81/41/851938141.db2.gz XEBPKQAFTRGJQL-SFHVURJKSA-N 2 1 308.385 1.534 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274111236 851938381 /nfs/dbraw/zinc/93/83/81/851938381.db2.gz UBLIPYRSCMAAII-GOSISDBHSA-N 2 1 308.385 1.392 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274111236 851938387 /nfs/dbraw/zinc/93/83/87/851938387.db2.gz UBLIPYRSCMAAII-GOSISDBHSA-N 2 1 308.385 1.392 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320529712 852422204 /nfs/dbraw/zinc/42/22/04/852422204.db2.gz OWLSRKIETDGJKC-RDBSUJKOSA-N 2 1 301.862 1.954 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC(F)(F)F ZINC001274791412 852600940 /nfs/dbraw/zinc/60/09/40/852600940.db2.gz IXSJUSLQSXBCGR-NEPJUHHUSA-N 2 1 305.344 1.131 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC(F)(F)F ZINC001274791412 852600946 /nfs/dbraw/zinc/60/09/46/852600946.db2.gz IXSJUSLQSXBCGR-NEPJUHHUSA-N 2 1 305.344 1.131 20 30 DDEDMP Cc1ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c(C#N)c1 ZINC001275615861 853439389 /nfs/dbraw/zinc/43/93/89/853439389.db2.gz BTEAJYVTGQNVSI-PKOBYXMFSA-N 2 1 312.461 1.934 20 30 DDEDMP C=CCOCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275912726 853930532 /nfs/dbraw/zinc/93/05/32/853930532.db2.gz NNLDEJXROZWDDJ-XHSDSOJGSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275912726 853930538 /nfs/dbraw/zinc/93/05/38/853930538.db2.gz NNLDEJXROZWDDJ-XHSDSOJGSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275912726 853930542 /nfs/dbraw/zinc/93/05/42/853930542.db2.gz NNLDEJXROZWDDJ-XHSDSOJGSA-N 2 1 311.470 1.356 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131548 862745911 /nfs/dbraw/zinc/74/59/11/862745911.db2.gz SOBWVYNJFLCYGF-MRXNPFEDSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](F)CC)C2 ZINC001072822342 857757695 /nfs/dbraw/zinc/75/76/95/857757695.db2.gz CACSHXBTLFRURX-HOTGVXAUSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](F)CC)C2 ZINC001072822342 857757700 /nfs/dbraw/zinc/75/77/00/857757700.db2.gz CACSHXBTLFRURX-HOTGVXAUSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](F)CC)C2 ZINC001072822342 857757704 /nfs/dbraw/zinc/75/77/04/857757704.db2.gz CACSHXBTLFRURX-HOTGVXAUSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](F)CC)C2 ZINC001072822342 857757707 /nfs/dbraw/zinc/75/77/07/857757707.db2.gz CACSHXBTLFRURX-HOTGVXAUSA-N 2 1 321.440 1.366 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454586 858350299 /nfs/dbraw/zinc/35/02/99/858350299.db2.gz OIIUKZNNHPMKNI-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454586 858350309 /nfs/dbraw/zinc/35/03/09/858350309.db2.gz OIIUKZNNHPMKNI-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001073454586 858350317 /nfs/dbraw/zinc/35/03/17/858350317.db2.gz OIIUKZNNHPMKNI-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242426 858723232 /nfs/dbraw/zinc/72/32/32/858723232.db2.gz HDSVUPJGXADOFZ-RFSHTEQGSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001328810901 863244397 /nfs/dbraw/zinc/24/43/97/863244397.db2.gz ZIFPJDNIMPUYOY-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001328810901 863244411 /nfs/dbraw/zinc/24/44/11/863244411.db2.gz ZIFPJDNIMPUYOY-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001328810901 863244425 /nfs/dbraw/zinc/24/44/25/863244425.db2.gz ZIFPJDNIMPUYOY-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001157092410 863566664 /nfs/dbraw/zinc/56/66/64/863566664.db2.gz WYBXDIPARGSKJQ-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP CC#CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001329837740 863887337 /nfs/dbraw/zinc/88/73/37/863887337.db2.gz KMIRHZRSVUESGE-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153819088 864131532 /nfs/dbraw/zinc/13/15/32/864131532.db2.gz MZCZPTNAPLAKLO-HZPDHXFCSA-N 2 1 321.469 1.216 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001153819088 864131537 /nfs/dbraw/zinc/13/15/37/864131537.db2.gz MZCZPTNAPLAKLO-HZPDHXFCSA-N 2 1 321.469 1.216 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001330186531 864138235 /nfs/dbraw/zinc/13/82/35/864138235.db2.gz YZHXCVVCCRZZIE-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001330186531 864138241 /nfs/dbraw/zinc/13/82/41/864138241.db2.gz YZHXCVVCCRZZIE-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001330186531 864138250 /nfs/dbraw/zinc/13/82/50/864138250.db2.gz YZHXCVVCCRZZIE-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001330186531 864138253 /nfs/dbraw/zinc/13/82/53/864138253.db2.gz YZHXCVVCCRZZIE-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153854512 864162283 /nfs/dbraw/zinc/16/22/83/864162283.db2.gz GNOWEXBFXKZUQE-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153854512 864162287 /nfs/dbraw/zinc/16/22/87/864162287.db2.gz GNOWEXBFXKZUQE-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153854512 864162290 /nfs/dbraw/zinc/16/22/90/864162290.db2.gz GNOWEXBFXKZUQE-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001158421608 864643804 /nfs/dbraw/zinc/64/38/04/864643804.db2.gz YTBCRSFISXEAKC-SJLPKXTDSA-N 2 1 313.445 1.474 20 30 DDEDMP CC[C@@H](C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001158486784 864684099 /nfs/dbraw/zinc/68/40/99/864684099.db2.gz KZMYUMHEGUBOPY-SJORKVTESA-N 2 1 323.481 1.289 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332033327 865518986 /nfs/dbraw/zinc/51/89/86/865518986.db2.gz ULTXPCUHENZNJA-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001332202548 865660468 /nfs/dbraw/zinc/66/04/68/865660468.db2.gz BXQMSKJDHHNTJB-WBVHZDCISA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161008944 866266533 /nfs/dbraw/zinc/26/65/33/866266533.db2.gz XUWYIFSBQFIHDF-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001161008944 866266548 /nfs/dbraw/zinc/26/65/48/866266548.db2.gz XUWYIFSBQFIHDF-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161008944 866266566 /nfs/dbraw/zinc/26/65/66/866266566.db2.gz XUWYIFSBQFIHDF-WMZOPIPTSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161205298 866442078 /nfs/dbraw/zinc/44/20/78/866442078.db2.gz CMOAECYANQMWNS-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161205298 866442080 /nfs/dbraw/zinc/44/20/80/866442080.db2.gz CMOAECYANQMWNS-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161205298 866442081 /nfs/dbraw/zinc/44/20/81/866442081.db2.gz CMOAECYANQMWNS-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001320113173 866484788 /nfs/dbraw/zinc/48/47/88/866484788.db2.gz XAUPHBWMPZFQCP-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N(CC[NH3+])S(C)(=O)=O)cc1 ZINC001162133712 867278298 /nfs/dbraw/zinc/27/82/98/867278298.db2.gz CYSLEWHWWIYUCA-INIZCTEOSA-N 2 1 323.462 1.734 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCOCC1 ZINC001325004912 867690876 /nfs/dbraw/zinc/69/08/76/867690876.db2.gz BNTFTZCWIUWBCI-CVEARBPZSA-N 2 1 321.465 1.444 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001325052960 867723472 /nfs/dbraw/zinc/72/34/72/867723472.db2.gz DBVRMUZRYIARFX-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325052960 867723479 /nfs/dbraw/zinc/72/34/79/867723479.db2.gz DBVRMUZRYIARFX-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325052960 867723487 /nfs/dbraw/zinc/72/34/87/867723487.db2.gz DBVRMUZRYIARFX-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001325052959 867723531 /nfs/dbraw/zinc/72/35/31/867723531.db2.gz DBVRMUZRYIARFX-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325052959 867723537 /nfs/dbraw/zinc/72/35/37/867723537.db2.gz DBVRMUZRYIARFX-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325052959 867723539 /nfs/dbraw/zinc/72/35/39/867723539.db2.gz DBVRMUZRYIARFX-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001325450830 868041642 /nfs/dbraw/zinc/04/16/42/868041642.db2.gz SCUZOOBGTUHTNW-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001325560919 868136979 /nfs/dbraw/zinc/13/69/79/868136979.db2.gz FFROJVTYTFKUFL-JKSUJKDBSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC001336779435 869136486 /nfs/dbraw/zinc/13/64/86/869136486.db2.gz KKGGUDKYHUVSRC-MRXNPFEDSA-N 2 1 320.408 1.643 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531497 869263552 /nfs/dbraw/zinc/26/35/52/869263552.db2.gz KYBQPDXDPZGOHV-CVEARBPZSA-N 2 1 303.450 1.370 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531400 869263928 /nfs/dbraw/zinc/26/39/28/869263928.db2.gz GZGATLMDEPNHPH-IRXDYDNUSA-N 2 1 317.477 1.760 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166202449 869900175 /nfs/dbraw/zinc/90/01/75/869900175.db2.gz OYVAXSVQOJXDLL-UHFFFAOYSA-N 2 1 320.437 1.270 20 30 DDEDMP C=C(C)C[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001316962855 870001582 /nfs/dbraw/zinc/00/15/82/870001582.db2.gz HEWPFCMLAUUFCM-DLBZAZTESA-N 2 1 322.497 1.027 20 30 DDEDMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001317014936 870120700 /nfs/dbraw/zinc/12/07/00/870120700.db2.gz DRYVAQBEYCAJLC-QZTJIDSGSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699611 870166537 /nfs/dbraw/zinc/16/65/37/870166537.db2.gz SITKBNLNSCMYSV-HNNXBMFYSA-N 2 1 304.438 1.816 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001317100451 870246547 /nfs/dbraw/zinc/24/65/47/870246547.db2.gz QRSNONKYURVTEH-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317100451 870246557 /nfs/dbraw/zinc/24/65/57/870246557.db2.gz QRSNONKYURVTEH-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317100451 870246563 /nfs/dbraw/zinc/24/65/63/870246563.db2.gz QRSNONKYURVTEH-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001317154268 870377073 /nfs/dbraw/zinc/37/70/73/870377073.db2.gz VLHMSWAUVZLOOM-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317375162 870732391 /nfs/dbraw/zinc/73/23/91/870732391.db2.gz HTYGJODGMYECHK-AWEZNQCLSA-N 2 1 318.421 1.296 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317375162 870732397 /nfs/dbraw/zinc/73/23/97/870732397.db2.gz HTYGJODGMYECHK-AWEZNQCLSA-N 2 1 318.421 1.296 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317376185 871256655 /nfs/dbraw/zinc/25/66/55/871256655.db2.gz OFTWEQKDUILVPN-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317376185 871256672 /nfs/dbraw/zinc/25/66/72/871256672.db2.gz OFTWEQKDUILVPN-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317376185 871256688 /nfs/dbraw/zinc/25/66/88/871256688.db2.gz OFTWEQKDUILVPN-YESZJQIVSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876095 871272692 /nfs/dbraw/zinc/27/26/92/871272692.db2.gz MZBVBTDDYNBTKF-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876095 871272706 /nfs/dbraw/zinc/27/27/06/871272706.db2.gz MZBVBTDDYNBTKF-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205271617 871476648 /nfs/dbraw/zinc/47/66/48/871476648.db2.gz PHIXOKQQCIVXKM-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283875 871482918 /nfs/dbraw/zinc/48/29/18/871482918.db2.gz JERJXWRMGQJJGO-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206068174 872032549 /nfs/dbraw/zinc/03/25/49/872032549.db2.gz POOWYAQPTNPKAK-MRXNPFEDSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208279016 873955564 /nfs/dbraw/zinc/95/55/64/873955564.db2.gz FVWKMZDQJVNCNC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001208453254 874157490 /nfs/dbraw/zinc/15/74/90/874157490.db2.gz CHWBTFFWCOBWQP-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP Cn1cc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1C#N ZINC001276607941 874603118 /nfs/dbraw/zinc/60/31/18/874603118.db2.gz HKRTVTUTIXDCJG-UHFFFAOYSA-N 2 1 315.465 1.356 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209640368 875028528 /nfs/dbraw/zinc/02/85/28/875028528.db2.gz BKRRDBPZIPVKFB-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001378970384 876036114 /nfs/dbraw/zinc/03/61/14/876036114.db2.gz VBAHYAJBDWXEEK-KGLIPLIRSA-N 2 1 301.862 1.954 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544054 876748545 /nfs/dbraw/zinc/74/85/45/876748545.db2.gz FOBDZPCDCGOXKR-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001276727557 876786352 /nfs/dbraw/zinc/78/63/52/876786352.db2.gz PUYWHZXMQMFDEX-LUKYLMHMSA-N 2 1 305.466 1.588 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276727557 876786361 /nfs/dbraw/zinc/78/63/61/876786361.db2.gz PUYWHZXMQMFDEX-LUKYLMHMSA-N 2 1 305.466 1.588 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001276727557 876786371 /nfs/dbraw/zinc/78/63/71/876786371.db2.gz PUYWHZXMQMFDEX-LUKYLMHMSA-N 2 1 305.466 1.588 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379349733 876887502 /nfs/dbraw/zinc/88/75/02/876887502.db2.gz RLAKPOCGXPAHLN-RISCZKNCSA-N 2 1 306.435 1.308 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC001353109005 877125323 /nfs/dbraw/zinc/12/53/23/877125323.db2.gz JMENFKYIZYVJPZ-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC001353109005 877125333 /nfs/dbraw/zinc/12/53/33/877125333.db2.gz JMENFKYIZYVJPZ-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C=CCOc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cc1 ZINC001222086026 880232002 /nfs/dbraw/zinc/23/20/02/880232002.db2.gz QZOHBBATHNDCSI-UHFFFAOYSA-N 2 1 301.434 1.779 20 30 DDEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001381106148 881037690 /nfs/dbraw/zinc/03/76/90/881037690.db2.gz URAIPZHHHHDKDV-CYBMUJFWSA-N 2 1 315.845 1.040 20 30 DDEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001381106148 881037711 /nfs/dbraw/zinc/03/77/11/881037711.db2.gz URAIPZHHHHDKDV-CYBMUJFWSA-N 2 1 315.845 1.040 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001276954679 881286088 /nfs/dbraw/zinc/28/60/88/881286088.db2.gz BDOKUTRLHSBKRC-YHUYYLMFSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001276954679 881286099 /nfs/dbraw/zinc/28/60/99/881286099.db2.gz BDOKUTRLHSBKRC-YHUYYLMFSA-N 2 1 309.454 1.156 20 30 DDEDMP C#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCCC1 ZINC001277369335 883890554 /nfs/dbraw/zinc/89/05/54/883890554.db2.gz WNGGMDDTKAJSJM-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001277369335 883890581 /nfs/dbraw/zinc/89/05/81/883890581.db2.gz WNGGMDDTKAJSJM-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CCCCCC1 ZINC001277369335 883890596 /nfs/dbraw/zinc/89/05/96/883890596.db2.gz WNGGMDDTKAJSJM-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001277410841 884142022 /nfs/dbraw/zinc/14/20/22/884142022.db2.gz FFHZYASFJYCMTN-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001230306793 884422267 /nfs/dbraw/zinc/42/22/67/884422267.db2.gz DBYGYILUQWYWOF-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230306793 884422277 /nfs/dbraw/zinc/42/22/77/884422277.db2.gz DBYGYILUQWYWOF-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835502 884941800 /nfs/dbraw/zinc/94/18/00/884941800.db2.gz IYZZMBVQHBDAEI-UHFFFAOYSA-N 2 1 304.438 1.528 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001363194007 885682830 /nfs/dbraw/zinc/68/28/30/885682830.db2.gz CPPAZFFNIIXUIV-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001363194007 885682838 /nfs/dbraw/zinc/68/28/38/885682838.db2.gz CPPAZFFNIIXUIV-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP Cn1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c2cc(C#N)ccc21 ZINC001234987847 888306573 /nfs/dbraw/zinc/30/65/73/888306573.db2.gz GPJSJGWKOBLUNH-SFHVURJKSA-N 2 1 309.417 1.187 20 30 DDEDMP CN(CCC#N)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235064698 888387601 /nfs/dbraw/zinc/38/76/01/888387601.db2.gz SXFSJCSVTMHEJU-GOSISDBHSA-N 2 1 313.449 1.174 20 30 DDEDMP CN(CCC#N)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235064698 888387614 /nfs/dbraw/zinc/38/76/14/888387614.db2.gz SXFSJCSVTMHEJU-GOSISDBHSA-N 2 1 313.449 1.174 20 30 DDEDMP C=CCOC[C@@H]1C[N@H+](CCCC[NH3+])Cc2nnn(CC3CC3)c21 ZINC001235532051 888714909 /nfs/dbraw/zinc/71/49/09/888714909.db2.gz WVSLOGYWPJJRNN-HNNXBMFYSA-N 2 1 319.453 1.529 20 30 DDEDMP C=CCCCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310039 889181507 /nfs/dbraw/zinc/18/15/07/889181507.db2.gz RQBWVUDWTVGLSN-UHFFFAOYSA-N 3 1 312.502 1.629 20 30 DDEDMP C=CCCCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310039 889181516 /nfs/dbraw/zinc/18/15/16/889181516.db2.gz RQBWVUDWTVGLSN-UHFFFAOYSA-N 3 1 312.502 1.629 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC=C)CC1 ZINC001278128536 889791515 /nfs/dbraw/zinc/79/15/15/889791515.db2.gz NUTGVOHKHHJRBS-GOSISDBHSA-N 2 1 317.477 1.973 20 30 DDEDMP C=C(C)c1cccc(C(C)(C)NC(=O)NCC[NH2+]CC[NH3+])c1 ZINC001239243913 890565563 /nfs/dbraw/zinc/56/55/63/890565563.db2.gz QXNFDHITBSIQIM-UHFFFAOYSA-N 2 1 304.438 1.802 20 30 DDEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278425538 892327239 /nfs/dbraw/zinc/32/72/39/892327239.db2.gz AWPRZBIOJQLRSE-DLBZAZTESA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278425538 892327259 /nfs/dbraw/zinc/32/72/59/892327259.db2.gz AWPRZBIOJQLRSE-DLBZAZTESA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278425538 892327275 /nfs/dbraw/zinc/32/72/75/892327275.db2.gz AWPRZBIOJQLRSE-DLBZAZTESA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278425538 892327295 /nfs/dbraw/zinc/32/72/95/892327295.db2.gz AWPRZBIOJQLRSE-DLBZAZTESA-N 2 1 309.429 1.413 20 30 DDEDMP N#Cc1cccc(N2C[C@@]3(CC[N@H+](C4CC[NH2+]CC4)C3)CC2=O)c1 ZINC001246765582 892873038 /nfs/dbraw/zinc/87/30/38/892873038.db2.gz HHYODUHOZGWWPF-IBGZPJMESA-N 2 1 324.428 1.739 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278662470 895105493 /nfs/dbraw/zinc/10/54/93/895105493.db2.gz CEHNUZDTJCMLEJ-WMZOPIPTSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001252463021 895172996 /nfs/dbraw/zinc/17/29/96/895172996.db2.gz KZKAMSLHFDGUTJ-BZUAXINKSA-N 2 1 322.474 1.675 20 30 DDEDMP C=CCOC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252463040 895173396 /nfs/dbraw/zinc/17/33/96/895173396.db2.gz KZKAMSLHFDGUTJ-OWCLPIDISA-N 2 1 322.474 1.675 20 30 DDEDMP C=CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252463040 895173401 /nfs/dbraw/zinc/17/34/01/895173401.db2.gz KZKAMSLHFDGUTJ-OWCLPIDISA-N 2 1 322.474 1.675 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252463040 895173405 /nfs/dbraw/zinc/17/34/05/895173405.db2.gz KZKAMSLHFDGUTJ-OWCLPIDISA-N 2 1 322.474 1.675 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252463040 895173407 /nfs/dbraw/zinc/17/34/07/895173407.db2.gz KZKAMSLHFDGUTJ-OWCLPIDISA-N 2 1 322.474 1.675 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001367437387 896761948 /nfs/dbraw/zinc/76/19/48/896761948.db2.gz GYODYOLVQUVACD-TZMCWYRMSA-N 2 1 301.862 1.906 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](C)CC1)C2 ZINC001256194440 897306914 /nfs/dbraw/zinc/30/69/14/897306914.db2.gz AHJICXYXQYFAIK-INIZCTEOSA-N 2 1 301.434 1.575 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001264497512 901150494 /nfs/dbraw/zinc/15/04/94/901150494.db2.gz XONGWCJQOYBZFS-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001264520764 901166702 /nfs/dbraw/zinc/16/67/02/901166702.db2.gz PGLNENLQOVAMFA-DLBZAZTESA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001264520767 901167282 /nfs/dbraw/zinc/16/72/82/901167282.db2.gz PGLNENLQOVAMFA-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001264558616 901182895 /nfs/dbraw/zinc/18/28/95/901182895.db2.gz VDIDWDXCOHIJCC-IKGGRYGDSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001265655829 902264897 /nfs/dbraw/zinc/26/48/97/902264897.db2.gz QHEOFZRTAYLCIR-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001265655829 902264907 /nfs/dbraw/zinc/26/49/07/902264907.db2.gz QHEOFZRTAYLCIR-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266023227 902776977 /nfs/dbraw/zinc/77/69/77/902776977.db2.gz HZBXCJWDABZXLY-MRXNPFEDSA-N 2 1 302.422 1.433 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391960614 902990255 /nfs/dbraw/zinc/99/02/55/902990255.db2.gz LDSXQDWONAPGIV-RHSMWYFYSA-N 2 1 314.433 1.352 20 30 DDEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001279454289 903263149 /nfs/dbraw/zinc/26/31/49/903263149.db2.gz ZZJQPMQYPQHTAT-QGZVFWFLSA-N 2 1 322.497 1.217 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001371310549 904674742 /nfs/dbraw/zinc/67/47/42/904674742.db2.gz MBQIKPMPANCQEC-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001282518863 905847395 /nfs/dbraw/zinc/84/73/95/905847395.db2.gz ZGCIWNJONPOJQZ-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001282518863 905847403 /nfs/dbraw/zinc/84/74/03/905847403.db2.gz ZGCIWNJONPOJQZ-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001282677606 905938166 /nfs/dbraw/zinc/93/81/66/905938166.db2.gz CLCQHARIJTYDLV-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001282677606 905938179 /nfs/dbraw/zinc/93/81/79/905938179.db2.gz CLCQHARIJTYDLV-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001282957272 906328210 /nfs/dbraw/zinc/32/82/10/906328210.db2.gz GFCOMRLGAHLAPV-BBWFWOEESA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001372725710 908066338 /nfs/dbraw/zinc/06/63/38/908066338.db2.gz FWYHXXOUEIJGKO-ZDUSSCGKSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001372725710 908066349 /nfs/dbraw/zinc/06/63/49/908066349.db2.gz FWYHXXOUEIJGKO-ZDUSSCGKSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372725710 908066360 /nfs/dbraw/zinc/06/63/60/908066360.db2.gz FWYHXXOUEIJGKO-ZDUSSCGKSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372725710 908066368 /nfs/dbraw/zinc/06/63/68/908066368.db2.gz FWYHXXOUEIJGKO-ZDUSSCGKSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001284434842 908997043 /nfs/dbraw/zinc/99/70/43/908997043.db2.gz ANRCGEMFBQGASQ-DLBZAZTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394452971 909661984 /nfs/dbraw/zinc/66/19/84/909661984.db2.gz SLHRUFFTJTUTNJ-HIFRSBDPSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001284985136 909883187 /nfs/dbraw/zinc/88/31/87/909883187.db2.gz CKZNQHLXIWDJAM-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001284985136 909883201 /nfs/dbraw/zinc/88/32/01/909883201.db2.gz CKZNQHLXIWDJAM-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001284985136 909883217 /nfs/dbraw/zinc/88/32/17/909883217.db2.gz CKZNQHLXIWDJAM-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001284985136 909883226 /nfs/dbraw/zinc/88/32/26/909883226.db2.gz CKZNQHLXIWDJAM-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083032216 353705054 /nfs/dbraw/zinc/70/50/54/353705054.db2.gz CCFGWHVUZBHEHT-HNNXBMFYSA-N 2 1 320.437 1.383 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)[C@@H](C)C1 ZINC000599373101 357914123 /nfs/dbraw/zinc/91/41/23/357914123.db2.gz SZELRYKYSTYHGP-BBWFWOEESA-N 2 1 323.481 1.768 20 30 DDEDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599385144 357917897 /nfs/dbraw/zinc/91/78/97/357917897.db2.gz HAQPLFDPMDLCNB-HZPDHXFCSA-N 2 1 309.454 1.474 20 30 DDEDMP COCC[N@@H+](C)C[C@@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000565549013 304075865 /nfs/dbraw/zinc/07/58/65/304075865.db2.gz KYKVZJLWMFSIMS-INIZCTEOSA-N 2 1 303.406 1.076 20 30 DDEDMP COCCN(C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000565549013 304075866 /nfs/dbraw/zinc/07/58/66/304075866.db2.gz KYKVZJLWMFSIMS-INIZCTEOSA-N 2 1 303.406 1.076 20 30 DDEDMP C[C@@H](CC#N)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000602861701 359246191 /nfs/dbraw/zinc/24/61/91/359246191.db2.gz HSQZNBQQVANMQP-HNNXBMFYSA-N 2 1 300.406 1.223 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000085403231 407099789 /nfs/dbraw/zinc/09/97/89/407099789.db2.gz DUOOKSOKFSMEQM-ZBFHGGJFSA-N 2 1 308.470 1.618 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NC(C)=O)cc1 ZINC000170909894 407551732 /nfs/dbraw/zinc/55/17/32/407551732.db2.gz IQUOTJWNHVXOBD-MRXNPFEDSA-N 2 1 317.437 1.534 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000136300283 408095820 /nfs/dbraw/zinc/09/58/20/408095820.db2.gz IYHSBUVMYWKEAQ-INIZCTEOSA-N 2 1 305.426 1.568 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000136300283 408095826 /nfs/dbraw/zinc/09/58/26/408095826.db2.gz IYHSBUVMYWKEAQ-INIZCTEOSA-N 2 1 305.426 1.568 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1C#N ZINC000191357986 408412444 /nfs/dbraw/zinc/41/24/44/408412444.db2.gz NXSUWWDKZVHLBD-ZWKOTPCHSA-N 2 1 316.449 1.754 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000178089789 408772773 /nfs/dbraw/zinc/77/27/73/408772773.db2.gz NRXWQDTVQPBBEB-WBVHZDCISA-N 2 1 320.481 1.763 20 30 DDEDMP CN1CC[NH+]=C1NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000284981200 409387092 /nfs/dbraw/zinc/38/70/92/409387092.db2.gz GSLTVVJMUICVCT-KRWDZBQOSA-N 2 1 315.465 1.256 20 30 DDEDMP CN1CC[NH+]=C1NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000284981200 409387096 /nfs/dbraw/zinc/38/70/96/409387096.db2.gz GSLTVVJMUICVCT-KRWDZBQOSA-N 2 1 315.465 1.256 20 30 DDEDMP CN1CC[NH+]=C1NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000284981200 409387102 /nfs/dbraw/zinc/38/71/02/409387102.db2.gz GSLTVVJMUICVCT-KRWDZBQOSA-N 2 1 315.465 1.256 20 30 DDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[NH+]2C)CCC[N@@H+]1C ZINC000329184861 410151773 /nfs/dbraw/zinc/15/17/73/410151773.db2.gz OLBOOAPIDNIIQV-NUEKZKHPSA-N 2 1 319.453 1.854 20 30 DDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[NH+]2C)CCC[N@H+]1C ZINC000329184861 410151777 /nfs/dbraw/zinc/15/17/77/410151777.db2.gz OLBOOAPIDNIIQV-NUEKZKHPSA-N 2 1 319.453 1.854 20 30 DDEDMP C[NH+]=C(NCc1cccc(OC)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262022654 222270793 /nfs/dbraw/zinc/27/07/93/222270793.db2.gz ZDMGLJCATXVFTI-IUODEOHRSA-N 2 1 317.437 1.238 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)NCc1nc(C)c(C)s1 ZINC000262388135 222278083 /nfs/dbraw/zinc/27/80/83/222278083.db2.gz LRLZJAFZYPSJOZ-UHFFFAOYSA-N 2 1 306.439 1.630 20 30 DDEDMP C[NH+]=C(NCCN1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262479398 222282952 /nfs/dbraw/zinc/28/29/52/222282952.db2.gz RAVJNPGKJWJRNI-INIZCTEOSA-N 2 1 307.486 1.218 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCOc2ccccc21 ZINC000262829303 222296554 /nfs/dbraw/zinc/29/65/54/222296554.db2.gz ZLIYALKUUBUYHL-HNNXBMFYSA-N 2 1 318.421 1.137 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)N[C@H]1CCOc2ccccc21 ZINC000262829303 222296556 /nfs/dbraw/zinc/29/65/56/222296556.db2.gz ZLIYALKUUBUYHL-HNNXBMFYSA-N 2 1 318.421 1.137 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc([C@H](C)O)cc1 ZINC000264072974 222312142 /nfs/dbraw/zinc/31/21/42/222312142.db2.gz DQRQMNLVJZBHAY-XJKSGUPXSA-N 2 1 304.438 1.629 20 30 DDEDMP C#CCCN1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368114854 418691431 /nfs/dbraw/zinc/69/14/31/418691431.db2.gz JYLFUVYJIAHKMV-QGZVFWFLSA-N 2 1 309.429 1.366 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000378525728 418724233 /nfs/dbraw/zinc/72/42/33/418724233.db2.gz HNLWVAHJRCJEJR-GDBMZVCRSA-N 2 1 306.454 1.372 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000424179066 228242074 /nfs/dbraw/zinc/24/20/74/228242074.db2.gz SGYWMWVHBOLNLW-GJZGRUSLSA-N 2 1 320.824 1.834 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000491371477 421197465 /nfs/dbraw/zinc/19/74/65/421197465.db2.gz FGACKIPDLZDCHY-AWEZNQCLSA-N 2 1 309.454 1.787 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000491371477 421197466 /nfs/dbraw/zinc/19/74/66/421197466.db2.gz FGACKIPDLZDCHY-AWEZNQCLSA-N 2 1 309.454 1.787 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000491767769 421202547 /nfs/dbraw/zinc/20/25/47/421202547.db2.gz HCXWFEXSPKOBSZ-MRXNPFEDSA-N 2 1 308.470 1.219 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000491767769 421202549 /nfs/dbraw/zinc/20/25/49/421202549.db2.gz HCXWFEXSPKOBSZ-MRXNPFEDSA-N 2 1 308.470 1.219 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000491767769 421202551 /nfs/dbraw/zinc/20/25/51/421202551.db2.gz HCXWFEXSPKOBSZ-MRXNPFEDSA-N 2 1 308.470 1.219 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330169804 276369592 /nfs/dbraw/zinc/36/95/92/276369592.db2.gz BNOBJYORYIRRLY-ZIAGYGMSSA-N 2 1 305.426 1.528 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330169804 276369595 /nfs/dbraw/zinc/36/95/95/276369595.db2.gz BNOBJYORYIRRLY-ZIAGYGMSSA-N 2 1 305.426 1.528 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1c(C)noc1C ZINC000130727356 276377872 /nfs/dbraw/zinc/37/78/72/276377872.db2.gz KPWVHTVEJNZKLD-RISCZKNCSA-N 2 1 307.442 1.784 20 30 DDEDMP C[C@H](O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000515526969 484263281 /nfs/dbraw/zinc/26/32/81/484263281.db2.gz XIPRNWWWQJDVHS-WNRNVDISSA-N 2 1 308.466 1.175 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000417539760 526586336 /nfs/dbraw/zinc/58/63/36/526586336.db2.gz OOCWFQQZOXWNBR-INIZCTEOSA-N 2 1 312.433 1.370 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000491460816 526823295 /nfs/dbraw/zinc/82/32/95/526823295.db2.gz BBTMSIOUDYCKPK-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000491460816 526823298 /nfs/dbraw/zinc/82/32/98/526823298.db2.gz BBTMSIOUDYCKPK-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000491460816 526823304 /nfs/dbraw/zinc/82/33/04/526823304.db2.gz BBTMSIOUDYCKPK-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOc1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000347000601 526896907 /nfs/dbraw/zinc/89/69/07/526896907.db2.gz GNGMVSIRSWEXMA-UHFFFAOYSA-N 2 1 303.406 1.115 20 30 DDEDMP C=CCOc1cccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000347000601 526896913 /nfs/dbraw/zinc/89/69/13/526896913.db2.gz GNGMVSIRSWEXMA-UHFFFAOYSA-N 2 1 303.406 1.115 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000491474486 526982685 /nfs/dbraw/zinc/98/26/85/526982685.db2.gz NEDVYHCPGUMQPY-WMLDXEAASA-N 2 1 319.474 1.860 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000491474486 526982687 /nfs/dbraw/zinc/98/26/87/526982687.db2.gz NEDVYHCPGUMQPY-WMLDXEAASA-N 2 1 319.474 1.860 20 30 DDEDMP CCC[NH+]1CCC(N(C)C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330235940 528189849 /nfs/dbraw/zinc/18/98/49/528189849.db2.gz ABOWPASZWDYGSY-AWEZNQCLSA-N 2 1 319.453 1.918 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972535753 695275615 /nfs/dbraw/zinc/27/56/15/695275615.db2.gz ZBHQYEDESVDHDM-GOSISDBHSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000746342801 700019933 /nfs/dbraw/zinc/01/99/33/700019933.db2.gz FHUFFXGJIRRHCV-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000746342801 700019936 /nfs/dbraw/zinc/01/99/36/700019936.db2.gz FHUFFXGJIRRHCV-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000746342801 700019939 /nfs/dbraw/zinc/01/99/39/700019939.db2.gz FHUFFXGJIRRHCV-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000746342801 700019941 /nfs/dbraw/zinc/01/99/41/700019941.db2.gz FHUFFXGJIRRHCV-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977636684 696241712 /nfs/dbraw/zinc/24/17/12/696241712.db2.gz FCDDNWJTLWHKLT-QGZVFWFLSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000977636684 696241713 /nfs/dbraw/zinc/24/17/13/696241713.db2.gz FCDDNWJTLWHKLT-QGZVFWFLSA-N 2 1 313.445 1.822 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978232700 696346938 /nfs/dbraw/zinc/34/69/38/696346938.db2.gz OINIMSSCAAFARE-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978232700 696346940 /nfs/dbraw/zinc/34/69/40/696346940.db2.gz OINIMSSCAAFARE-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978232700 696346943 /nfs/dbraw/zinc/34/69/43/696346943.db2.gz OINIMSSCAAFARE-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP CCc1nc(CNC(N[C@@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)cs1 ZINC000086035507 696564886 /nfs/dbraw/zinc/56/48/86/696564886.db2.gz IVRUGOLBNVVQEA-LLVKDONJSA-N 2 1 307.467 1.607 20 30 DDEDMP CCc1nc(CNC(N[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C)cs1 ZINC000086035507 696564888 /nfs/dbraw/zinc/56/48/88/696564888.db2.gz IVRUGOLBNVVQEA-LLVKDONJSA-N 2 1 307.467 1.607 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000980412580 696765992 /nfs/dbraw/zinc/76/59/92/696765992.db2.gz LAIITJKCYJOBMW-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822136 696932098 /nfs/dbraw/zinc/93/20/98/696932098.db2.gz HYHOBKOLEOBATB-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822136 696932101 /nfs/dbraw/zinc/93/21/01/696932101.db2.gz HYHOBKOLEOBATB-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981822136 696932104 /nfs/dbraw/zinc/93/21/04/696932104.db2.gz HYHOBKOLEOBATB-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982012691 697002467 /nfs/dbraw/zinc/00/24/67/697002467.db2.gz DIVULAFDEMXERW-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012691 697002470 /nfs/dbraw/zinc/00/24/70/697002470.db2.gz DIVULAFDEMXERW-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012691 697002473 /nfs/dbraw/zinc/00/24/73/697002473.db2.gz DIVULAFDEMXERW-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982062963 697019145 /nfs/dbraw/zinc/01/91/45/697019145.db2.gz FWDPVOGDXCCMOR-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062963 697019148 /nfs/dbraw/zinc/01/91/48/697019148.db2.gz FWDPVOGDXCCMOR-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062963 697019151 /nfs/dbraw/zinc/01/91/51/697019151.db2.gz FWDPVOGDXCCMOR-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000303876916 698608440 /nfs/dbraw/zinc/60/84/40/698608440.db2.gz FDCQFHKABKVAMF-BZUAXINKSA-N 2 1 309.502 1.638 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000303876916 698608441 /nfs/dbraw/zinc/60/84/41/698608441.db2.gz FDCQFHKABKVAMF-BZUAXINKSA-N 3 1 309.502 1.638 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000303876916 698608446 /nfs/dbraw/zinc/60/84/46/698608446.db2.gz FDCQFHKABKVAMF-BZUAXINKSA-N 3 1 309.502 1.638 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)cc1F ZINC000304760577 698625013 /nfs/dbraw/zinc/62/50/13/698625013.db2.gz SOPHIGSADFLNQX-AWEZNQCLSA-N 2 1 303.385 1.586 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000730018946 699496919 /nfs/dbraw/zinc/49/69/19/699496919.db2.gz CQGMMHJFKYCIJC-UHFFFAOYSA-N 2 1 317.433 1.681 20 30 DDEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000762568640 700898595 /nfs/dbraw/zinc/89/85/95/700898595.db2.gz MKUWPOKACYYRGM-KRWDZBQOSA-N 2 1 302.422 1.193 20 30 DDEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000762568640 700898596 /nfs/dbraw/zinc/89/85/96/700898596.db2.gz MKUWPOKACYYRGM-KRWDZBQOSA-N 2 1 302.422 1.193 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000846166757 703245671 /nfs/dbraw/zinc/24/56/71/703245671.db2.gz BZYSCTJOYWEKJM-UHFFFAOYSA-N 2 1 306.385 1.039 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000847257178 703391820 /nfs/dbraw/zinc/39/18/20/703391820.db2.gz VDNNQOHVNAOZIY-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCCCCCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000876789742 705878115 /nfs/dbraw/zinc/87/81/15/705878115.db2.gz HOJSXYBLJJNMFX-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCCCCCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000876789742 705878111 /nfs/dbraw/zinc/87/81/11/705878111.db2.gz HOJSXYBLJJNMFX-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876951644 705935536 /nfs/dbraw/zinc/93/55/36/705935536.db2.gz FACZQEKGOCOJQI-NDBYEHHHSA-N 2 1 303.834 1.070 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876951644 705935539 /nfs/dbraw/zinc/93/55/39/705935539.db2.gz FACZQEKGOCOJQI-NDBYEHHHSA-N 2 1 303.834 1.070 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000883131114 707935761 /nfs/dbraw/zinc/93/57/61/707935761.db2.gz HJJDFRWDWQNXRD-UHFFFAOYSA-N 2 1 303.431 1.645 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000883131114 707935762 /nfs/dbraw/zinc/93/57/62/707935762.db2.gz HJJDFRWDWQNXRD-UHFFFAOYSA-N 2 1 303.431 1.645 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000884037816 708112618 /nfs/dbraw/zinc/11/26/18/708112618.db2.gz NBGUQXPMGDLXOE-OAHLLOKOSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000884037816 708112620 /nfs/dbraw/zinc/11/26/20/708112620.db2.gz NBGUQXPMGDLXOE-OAHLLOKOSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000884153947 708163204 /nfs/dbraw/zinc/16/32/04/708163204.db2.gz VWOBBRMXWXNUOE-HZPDHXFCSA-N 2 1 322.497 1.750 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000884153947 708163207 /nfs/dbraw/zinc/16/32/07/708163207.db2.gz VWOBBRMXWXNUOE-HZPDHXFCSA-N 2 1 322.497 1.750 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000884204620 708188666 /nfs/dbraw/zinc/18/86/66/708188666.db2.gz ZXMVMHVLWRQMDU-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000884204620 708188667 /nfs/dbraw/zinc/18/86/67/708188667.db2.gz ZXMVMHVLWRQMDU-IAGOWNOFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000890361752 709835240 /nfs/dbraw/zinc/83/52/40/709835240.db2.gz ZAFYGVSIXLHSNW-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000890361752 709835242 /nfs/dbraw/zinc/83/52/42/709835242.db2.gz ZAFYGVSIXLHSNW-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000890361752 709835246 /nfs/dbraw/zinc/83/52/46/709835246.db2.gz ZAFYGVSIXLHSNW-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000890361752 709835250 /nfs/dbraw/zinc/83/52/50/709835250.db2.gz ZAFYGVSIXLHSNW-HNNXBMFYSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000890363457 709836385 /nfs/dbraw/zinc/83/63/85/709836385.db2.gz PCARUYOUBLAXCE-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H](C)CC)CC2)C1 ZINC000890363457 709836389 /nfs/dbraw/zinc/83/63/89/709836389.db2.gz PCARUYOUBLAXCE-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP COCC[N@H+](Cc1cncc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000931381178 714079848 /nfs/dbraw/zinc/07/98/48/714079848.db2.gz TZKORPQKZNOHHS-UHFFFAOYSA-N 2 1 302.422 1.743 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923372814 714332017 /nfs/dbraw/zinc/33/20/17/714332017.db2.gz JXQTUMOHVXCVLU-IAGOWNOFSA-N 2 1 317.433 1.795 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000923373950 714332437 /nfs/dbraw/zinc/33/24/37/714332437.db2.gz QSUYEYFMINJNOC-AEFFLSMTSA-N 2 1 317.433 1.795 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@H]1C[NH3+] ZINC000923492804 714376649 /nfs/dbraw/zinc/37/66/49/714376649.db2.gz OVPNVPLAPMMILE-IJEWVQPXSA-N 2 1 303.406 1.215 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960276883 716477201 /nfs/dbraw/zinc/47/72/01/716477201.db2.gz BRTUVYDZXCNATF-VVLHAWIVSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960276883 716477203 /nfs/dbraw/zinc/47/72/03/716477203.db2.gz BRTUVYDZXCNATF-VVLHAWIVSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960276883 716477204 /nfs/dbraw/zinc/47/72/04/716477204.db2.gz BRTUVYDZXCNATF-VVLHAWIVSA-N 2 1 303.450 1.626 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC ZINC000960277305 716477436 /nfs/dbraw/zinc/47/74/36/716477436.db2.gz CYSLLKCYWPQPTM-FGTMMUONSA-N 2 1 311.429 1.476 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC ZINC000960277305 716477443 /nfs/dbraw/zinc/47/74/43/716477443.db2.gz CYSLLKCYWPQPTM-FGTMMUONSA-N 2 1 311.429 1.476 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960278264 716477768 /nfs/dbraw/zinc/47/77/68/716477768.db2.gz GUXUVCYQSVOGCL-DLTWYDFYSA-N 2 1 314.433 1.773 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960278264 716477771 /nfs/dbraw/zinc/47/77/71/716477771.db2.gz GUXUVCYQSVOGCL-DLTWYDFYSA-N 2 1 314.433 1.773 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC000960719492 716667588 /nfs/dbraw/zinc/66/75/88/716667588.db2.gz FLAXDCZZLSQRNR-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC000960719492 716667591 /nfs/dbraw/zinc/66/75/91/716667591.db2.gz FLAXDCZZLSQRNR-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC000960719492 716667594 /nfs/dbraw/zinc/66/75/94/716667594.db2.gz FLAXDCZZLSQRNR-VVLHAWIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961288574 716897377 /nfs/dbraw/zinc/89/73/77/716897377.db2.gz XTWXAOLLHAUWTB-IAGOWNOFSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080095 717097501 /nfs/dbraw/zinc/09/75/01/717097501.db2.gz TXWCOLZPHWUZFH-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961766689 717200269 /nfs/dbraw/zinc/20/02/69/717200269.db2.gz UOVLUHVQQJHOKV-BORJPKMPSA-N 2 1 323.456 1.821 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961766689 717200276 /nfs/dbraw/zinc/20/02/76/717200276.db2.gz UOVLUHVQQJHOKV-BORJPKMPSA-N 2 1 323.456 1.821 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961766689 717200282 /nfs/dbraw/zinc/20/02/82/717200282.db2.gz UOVLUHVQQJHOKV-BORJPKMPSA-N 2 1 323.456 1.821 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961770037 717201909 /nfs/dbraw/zinc/20/19/09/717201909.db2.gz JDAMZFXZCJLKJM-SIXLDLHFSA-N 2 1 314.433 1.376 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961770037 717201911 /nfs/dbraw/zinc/20/19/11/717201911.db2.gz JDAMZFXZCJLKJM-SIXLDLHFSA-N 2 1 314.433 1.376 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416556 717782573 /nfs/dbraw/zinc/78/25/73/717782573.db2.gz LXYSHHNBZLILEN-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CC)C[C@H]2C)CC1 ZINC000945178122 718414814 /nfs/dbraw/zinc/41/48/14/718414814.db2.gz FEVIQAASVMTPBR-SJLPKXTDSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CC)C[C@@H]2C)CC1 ZINC000945178119 718415078 /nfs/dbraw/zinc/41/50/78/718415078.db2.gz FEVIQAASVMTPBR-FUHWJXTLSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)C[C@H]2C)CC1 ZINC000945184631 718417056 /nfs/dbraw/zinc/41/70/56/718417056.db2.gz WZLBRCFAQNYLRB-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518527 718815250 /nfs/dbraw/zinc/81/52/50/718815250.db2.gz VQRRDTVHACOKDU-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518527 718815254 /nfs/dbraw/zinc/81/52/54/718815254.db2.gz VQRRDTVHACOKDU-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518527 718815258 /nfs/dbraw/zinc/81/52/58/718815258.db2.gz VQRRDTVHACOKDU-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374519 718860693 /nfs/dbraw/zinc/86/06/93/718860693.db2.gz CUPIZVKQQUQYES-PBHICJAKSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374519 718860696 /nfs/dbraw/zinc/86/06/96/718860696.db2.gz CUPIZVKQQUQYES-PBHICJAKSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856874 718927803 /nfs/dbraw/zinc/92/78/03/718927803.db2.gz RTYKBXKAQGFDSK-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856874 718927809 /nfs/dbraw/zinc/92/78/09/718927809.db2.gz RTYKBXKAQGFDSK-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856874 718927811 /nfs/dbraw/zinc/92/78/11/718927811.db2.gz RTYKBXKAQGFDSK-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310244 719113114 /nfs/dbraw/zinc/11/31/14/719113114.db2.gz OADPCRNOPCYPRL-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC000947471326 719176474 /nfs/dbraw/zinc/17/64/74/719176474.db2.gz ARQINBHJUGJVTI-HIFRSBDPSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC#CC)CC[C@@H]2C)CC1 ZINC000968681211 719733951 /nfs/dbraw/zinc/73/39/51/719733951.db2.gz HUUHQDXHZGKQAA-WMZOPIPTSA-N 2 1 315.461 1.182 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968864394 719830283 /nfs/dbraw/zinc/83/02/83/719830283.db2.gz VSEZUDGEDMQASD-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968864394 719830288 /nfs/dbraw/zinc/83/02/88/719830288.db2.gz VSEZUDGEDMQASD-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968864394 719830292 /nfs/dbraw/zinc/83/02/92/719830292.db2.gz VSEZUDGEDMQASD-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000968881919 719839685 /nfs/dbraw/zinc/83/96/85/719839685.db2.gz BWDVMCLINNHOGA-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968881919 719839689 /nfs/dbraw/zinc/83/96/89/719839689.db2.gz BWDVMCLINNHOGA-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000968881919 719839696 /nfs/dbraw/zinc/83/96/96/719839696.db2.gz BWDVMCLINNHOGA-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000968907040 719858862 /nfs/dbraw/zinc/85/88/62/719858862.db2.gz CDHSJKLACHMHGI-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000949394869 720059394 /nfs/dbraw/zinc/05/93/94/720059394.db2.gz IHIGBCFMVMSIOJ-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000949394869 720059401 /nfs/dbraw/zinc/05/94/01/720059401.db2.gz IHIGBCFMVMSIOJ-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526473 720140883 /nfs/dbraw/zinc/14/08/83/720140883.db2.gz WBKNULKDGQGWBS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526473 720140885 /nfs/dbraw/zinc/14/08/85/720140885.db2.gz WBKNULKDGQGWBS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526473 720140889 /nfs/dbraw/zinc/14/08/89/720140889.db2.gz WBKNULKDGQGWBS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969834342 720525899 /nfs/dbraw/zinc/52/58/99/720525899.db2.gz XYAFWIZDPKWIKN-CVEARBPZSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420985 720755349 /nfs/dbraw/zinc/75/53/49/720755349.db2.gz UPUOGTJFLROSLT-JSGCOSHPSA-N 2 1 302.422 1.376 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571869 721360450 /nfs/dbraw/zinc/36/04/50/721360450.db2.gz ZRIIZZODKISANB-BBRMVZONSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571869 721360454 /nfs/dbraw/zinc/36/04/54/721360454.db2.gz ZRIIZZODKISANB-BBRMVZONSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000971571869 721360455 /nfs/dbraw/zinc/36/04/55/721360455.db2.gz ZRIIZZODKISANB-BBRMVZONSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000971571869 721360460 /nfs/dbraw/zinc/36/04/60/721360460.db2.gz ZRIIZZODKISANB-BBRMVZONSA-N 2 1 317.437 1.509 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632892 735364392 /nfs/dbraw/zinc/36/43/92/735364392.db2.gz RJCUQOBEWIVLCN-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632892 735364393 /nfs/dbraw/zinc/36/43/93/735364393.db2.gz RJCUQOBEWIVLCN-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001027692647 738556466 /nfs/dbraw/zinc/55/64/66/738556466.db2.gz NHTMUGAYABSHNH-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC3CC3)C2)CC1 ZINC001027693515 738557321 /nfs/dbraw/zinc/55/73/21/738557321.db2.gz DGPWOVQCWDYYAI-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001039115984 732761130 /nfs/dbraw/zinc/76/11/30/732761130.db2.gz PIPIRKHYJIPLIT-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604666 733362039 /nfs/dbraw/zinc/36/20/39/733362039.db2.gz FWZVTSTZXIAPLV-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604666 733362042 /nfs/dbraw/zinc/36/20/42/733362042.db2.gz FWZVTSTZXIAPLV-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001021679544 733436435 /nfs/dbraw/zinc/43/64/35/733436435.db2.gz OWRRLMHJWULQGD-GOEBONIOSA-N 2 1 302.422 1.841 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001022714074 734723646 /nfs/dbraw/zinc/72/36/46/734723646.db2.gz QDDBKOYDFZGGOW-MCIONIFRSA-N 2 1 322.840 1.743 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001023414467 735220405 /nfs/dbraw/zinc/22/04/05/735220405.db2.gz SYMJZSBDVIQWOI-CABCVRRESA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414467 735220408 /nfs/dbraw/zinc/22/04/08/735220408.db2.gz SYMJZSBDVIQWOI-CABCVRRESA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414467 735220410 /nfs/dbraw/zinc/22/04/10/735220410.db2.gz SYMJZSBDVIQWOI-CABCVRRESA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000972741463 735590709 /nfs/dbraw/zinc/59/07/09/735590709.db2.gz BZEXGPUSABLYIA-AWEZNQCLSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001024444206 735831948 /nfs/dbraw/zinc/83/19/48/735831948.db2.gz WMQYKPZBOBVXJG-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001024813247 736108360 /nfs/dbraw/zinc/10/83/60/736108360.db2.gz XDLIRQHCDVJRHB-GOSISDBHSA-N 2 1 315.461 1.326 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020026478 736982671 /nfs/dbraw/zinc/98/26/71/736982671.db2.gz URAICTCSUMJWFD-LALPHHSUSA-N 2 1 318.446 1.451 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099944 737117749 /nfs/dbraw/zinc/11/77/49/737117749.db2.gz NDOCWEAVDHBULU-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099944 737117751 /nfs/dbraw/zinc/11/77/51/737117751.db2.gz NDOCWEAVDHBULU-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099944 737117755 /nfs/dbraw/zinc/11/77/55/737117755.db2.gz NDOCWEAVDHBULU-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099944 737117757 /nfs/dbraw/zinc/11/77/57/737117757.db2.gz NDOCWEAVDHBULU-LJIZCISZSA-N 2 1 323.868 1.802 20 30 DDEDMP CC#CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353851 737126087 /nfs/dbraw/zinc/12/60/87/737126087.db2.gz PSQBHGSBKUTMGD-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027981814 738905014 /nfs/dbraw/zinc/90/50/14/738905014.db2.gz IMRWBHRCZNFZME-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137336 739078539 /nfs/dbraw/zinc/07/85/39/739078539.db2.gz GWWYWTPLSIBFIU-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137336 739078544 /nfs/dbraw/zinc/07/85/44/739078544.db2.gz GWWYWTPLSIBFIU-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035369713 751433117 /nfs/dbraw/zinc/43/31/17/751433117.db2.gz JDTSZSMEJXFZCW-SJORKVTESA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)C)CC1 ZINC001028334217 739370095 /nfs/dbraw/zinc/37/00/95/739370095.db2.gz XWTWGKBRKLBMOH-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001029004173 740249291 /nfs/dbraw/zinc/24/92/91/740249291.db2.gz URMLSXCQXHUZNM-FTWHOSCRSA-N 2 1 323.868 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@@H]2CC)CC1 ZINC001087840365 740779916 /nfs/dbraw/zinc/77/99/16/740779916.db2.gz ULNHWSFLVVUBKG-ZWKOTPCHSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095246 741023516 /nfs/dbraw/zinc/02/35/16/741023516.db2.gz BZVVAUMRCKIFQX-IXDOHACOSA-N 2 1 305.466 1.376 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250555 742225247 /nfs/dbraw/zinc/22/52/47/742225247.db2.gz QYZDYFORQTVKOI-WMZOPIPTSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177307 742586643 /nfs/dbraw/zinc/58/66/43/742586643.db2.gz UYJHLCQTKYBLBY-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177307 742586644 /nfs/dbraw/zinc/58/66/44/742586644.db2.gz UYJHLCQTKYBLBY-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177307 742586647 /nfs/dbraw/zinc/58/66/47/742586647.db2.gz UYJHLCQTKYBLBY-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(=C)C)C2)CC1 ZINC001035725020 751816237 /nfs/dbraw/zinc/81/62/37/751816237.db2.gz YNFAIGRYJIZWNW-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623101 743674042 /nfs/dbraw/zinc/67/40/42/743674042.db2.gz BBJFXNVHNJSPTF-VQIMIIECSA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC001168391131 743805692 /nfs/dbraw/zinc/80/56/92/743805692.db2.gz MRIPFMIPHVYOCN-UHFFFAOYSA-N 2 1 311.470 1.551 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001183249458 743809226 /nfs/dbraw/zinc/80/92/26/743809226.db2.gz JOKRMKBXBIVYGK-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)CC2 ZINC001035776572 751893137 /nfs/dbraw/zinc/89/31/37/751893137.db2.gz QXCRPLGHAHOMHG-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)CC2 ZINC001035776572 751893143 /nfs/dbraw/zinc/89/31/43/751893143.db2.gz QXCRPLGHAHOMHG-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168611 744169690 /nfs/dbraw/zinc/16/96/90/744169690.db2.gz HTYQUVXVYRAJFN-HOTGVXAUSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185548182 744245088 /nfs/dbraw/zinc/24/50/88/744245088.db2.gz KQKLFPGMIQHSLV-SJORKVTESA-N 2 1 307.482 1.816 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC#CCOC)[C@@H](C)C1 ZINC001185547437 744252867 /nfs/dbraw/zinc/25/28/67/744252867.db2.gz GRVCHWUVDAZJSB-IRXDYDNUSA-N 2 1 323.481 1.052 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001088862692 744254232 /nfs/dbraw/zinc/25/42/32/744254232.db2.gz NVCXDCLKOBSBHW-QAPCUYQASA-N 2 1 313.445 1.617 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001045967329 744525483 /nfs/dbraw/zinc/52/54/83/744525483.db2.gz RFYGECJEBMHGEU-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045967329 744525486 /nfs/dbraw/zinc/52/54/86/744525486.db2.gz RFYGECJEBMHGEU-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001045967329 744525489 /nfs/dbraw/zinc/52/54/89/744525489.db2.gz RFYGECJEBMHGEU-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516773 744909532 /nfs/dbraw/zinc/90/95/32/744909532.db2.gz LNRNFTBBNKVJOL-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516773 744909534 /nfs/dbraw/zinc/90/95/34/744909534.db2.gz LNRNFTBBNKVJOL-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189516773 744909537 /nfs/dbraw/zinc/90/95/37/744909537.db2.gz LNRNFTBBNKVJOL-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189516773 744909539 /nfs/dbraw/zinc/90/95/39/744909539.db2.gz LNRNFTBBNKVJOL-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190445327 745209920 /nfs/dbraw/zinc/20/99/20/745209920.db2.gz XFHIZTAFUAOGKM-HNNXBMFYSA-N 2 1 319.474 1.979 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC001191071035 745417881 /nfs/dbraw/zinc/41/78/81/745417881.db2.gz WDWYYTWDVWQUFV-AWEZNQCLSA-N 2 1 320.437 1.849 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191071035 745417882 /nfs/dbraw/zinc/41/78/82/745417882.db2.gz WDWYYTWDVWQUFV-AWEZNQCLSA-N 2 1 320.437 1.849 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191071035 745417886 /nfs/dbraw/zinc/41/78/86/745417886.db2.gz WDWYYTWDVWQUFV-AWEZNQCLSA-N 2 1 320.437 1.849 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001192398350 745783905 /nfs/dbraw/zinc/78/39/05/745783905.db2.gz PDRCTHYWQHOABW-MRXNPFEDSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001192398350 745783908 /nfs/dbraw/zinc/78/39/08/745783908.db2.gz PDRCTHYWQHOABW-MRXNPFEDSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001192398350 745783909 /nfs/dbraw/zinc/78/39/09/745783909.db2.gz PDRCTHYWQHOABW-MRXNPFEDSA-N 2 1 323.481 1.147 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192654651 745846656 /nfs/dbraw/zinc/84/66/56/745846656.db2.gz HGBKDFCPUVRRFQ-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102082 745978703 /nfs/dbraw/zinc/97/87/03/745978703.db2.gz CROVQMNBSWDVGY-RRFJBIMHSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001193102082 745978705 /nfs/dbraw/zinc/97/87/05/745978705.db2.gz CROVQMNBSWDVGY-RRFJBIMHSA-N 2 1 320.437 1.134 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765529 746044976 /nfs/dbraw/zinc/04/49/76/746044976.db2.gz GXBZQNZXKWRAFS-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001194246556 746319690 /nfs/dbraw/zinc/31/96/90/746319690.db2.gz OQJZNOUGXVYKAK-NVXWUHKLSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389861 746774994 /nfs/dbraw/zinc/77/49/94/746774994.db2.gz WJDXQVZYHCOJJP-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389861 746774997 /nfs/dbraw/zinc/77/49/97/746774997.db2.gz WJDXQVZYHCOJJP-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389861 746775000 /nfs/dbraw/zinc/77/50/00/746775000.db2.gz WJDXQVZYHCOJJP-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001196168394 746791163 /nfs/dbraw/zinc/79/11/63/746791163.db2.gz JNEYILPNVDCBTA-GVDBMIGSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196168394 746791168 /nfs/dbraw/zinc/79/11/68/746791168.db2.gz JNEYILPNVDCBTA-GVDBMIGSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196168394 746791174 /nfs/dbraw/zinc/79/11/74/746791174.db2.gz JNEYILPNVDCBTA-GVDBMIGSSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001003516698 747262547 /nfs/dbraw/zinc/26/25/47/747262547.db2.gz XSLZRDXJADAYGH-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001036205854 752258764 /nfs/dbraw/zinc/25/87/64/752258764.db2.gz YPUJKJKZNFCBDB-JKSUJKDBSA-N 2 1 316.449 1.856 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059049 748672924 /nfs/dbraw/zinc/67/29/24/748672924.db2.gz OMKOPLUKZGXYHF-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107012656 748679145 /nfs/dbraw/zinc/67/91/45/748679145.db2.gz ZDEGOLZNNFYGAS-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107012656 748679148 /nfs/dbraw/zinc/67/91/48/748679148.db2.gz ZDEGOLZNNFYGAS-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033201452 748910027 /nfs/dbraw/zinc/91/00/27/748910027.db2.gz DACHBVHICLFJDM-ZBFHGGJFSA-N 2 1 300.406 1.002 20 30 DDEDMP CC#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033201452 748910033 /nfs/dbraw/zinc/91/00/33/748910033.db2.gz DACHBVHICLFJDM-ZBFHGGJFSA-N 2 1 300.406 1.002 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001039278733 761906529 /nfs/dbraw/zinc/90/65/29/761906529.db2.gz NNTKIAWUNVILHZ-HQSKLWIPSA-N 2 1 317.477 1.996 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](CC)CC#CCOC ZINC001153728257 749242878 /nfs/dbraw/zinc/24/28/78/749242878.db2.gz LWFYVTKOOBAIGN-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC ZINC001153728257 749242880 /nfs/dbraw/zinc/24/28/80/749242880.db2.gz LWFYVTKOOBAIGN-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001153728257 749242882 /nfs/dbraw/zinc/24/28/82/749242882.db2.gz LWFYVTKOOBAIGN-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418101 749316888 /nfs/dbraw/zinc/31/68/88/749316888.db2.gz ZURCFUGPIADTLN-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418101 749316890 /nfs/dbraw/zinc/31/68/90/749316890.db2.gz ZURCFUGPIADTLN-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP C=C(Cl)CN[C@H]1CN(C(=O)CCc2nccn2C)CC1(C)C ZINC000996071845 749359467 /nfs/dbraw/zinc/35/94/67/749359467.db2.gz FDVJXPBRJJJYIY-ZDUSSCGKSA-N 2 1 324.856 1.932 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467374 749391836 /nfs/dbraw/zinc/39/18/36/749391836.db2.gz OAACEDSXYOIFNO-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033467374 749391842 /nfs/dbraw/zinc/39/18/42/749391842.db2.gz OAACEDSXYOIFNO-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996166116 749413865 /nfs/dbraw/zinc/41/38/65/749413865.db2.gz DEQWNFZOVFKCAD-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000996413224 749566991 /nfs/dbraw/zinc/56/69/91/749566991.db2.gz AHNWAJICOOFMLS-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033831482 749953278 /nfs/dbraw/zinc/95/32/78/749953278.db2.gz WWUDEGJYTMUSBH-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127786356 750073902 /nfs/dbraw/zinc/07/39/02/750073902.db2.gz YJTVYGBOZQHOPY-HOTGVXAUSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107549925 750113754 /nfs/dbraw/zinc/11/37/54/750113754.db2.gz KMHOFMYPFUOPHT-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107549925 750113759 /nfs/dbraw/zinc/11/37/59/750113759.db2.gz KMHOFMYPFUOPHT-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107549925 750113763 /nfs/dbraw/zinc/11/37/63/750113763.db2.gz KMHOFMYPFUOPHT-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437999 750435402 /nfs/dbraw/zinc/43/54/02/750435402.db2.gz JYIVGMFYJZVQGS-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437999 750435403 /nfs/dbraw/zinc/43/54/03/750435403.db2.gz JYIVGMFYJZVQGS-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098837006 750590440 /nfs/dbraw/zinc/59/04/40/750590440.db2.gz KKMWYWHOLAWYAJ-SCTDSRPQSA-N 2 1 315.461 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(C)C)CC1 ZINC000997624143 751164089 /nfs/dbraw/zinc/16/40/89/751164089.db2.gz LUZNJILNQMKHMF-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CC(C)C)CC1 ZINC000997624143 751164095 /nfs/dbraw/zinc/16/40/95/751164095.db2.gz LUZNJILNQMKHMF-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997729704 751243853 /nfs/dbraw/zinc/24/38/53/751243853.db2.gz RHYUMCMLDLZQGZ-ZOBUZTSGSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198207 751281474 /nfs/dbraw/zinc/28/14/74/751281474.db2.gz FQVHCVGVHQCENK-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035198207 751281476 /nfs/dbraw/zinc/28/14/76/751281476.db2.gz FQVHCVGVHQCENK-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035198207 751281477 /nfs/dbraw/zinc/28/14/77/751281477.db2.gz FQVHCVGVHQCENK-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C13CCC[NH+]1CCC3)CC2 ZINC001035202022 751283663 /nfs/dbraw/zinc/28/36/63/751283663.db2.gz QFNMZYTVHPOQML-UHFFFAOYSA-N 2 1 315.461 1.563 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035193656 751293350 /nfs/dbraw/zinc/29/33/50/751293350.db2.gz KULKZJOLNOLCIC-MRXNPFEDSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511216 752774020 /nfs/dbraw/zinc/77/40/20/752774020.db2.gz VFRMOHUZCOCXDQ-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511216 752774024 /nfs/dbraw/zinc/77/40/24/752774024.db2.gz VFRMOHUZCOCXDQ-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008511216 752774026 /nfs/dbraw/zinc/77/40/26/752774026.db2.gz VFRMOHUZCOCXDQ-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008511216 752774030 /nfs/dbraw/zinc/77/40/30/752774030.db2.gz VFRMOHUZCOCXDQ-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000999351936 752854780 /nfs/dbraw/zinc/85/47/80/752854780.db2.gz HLFHLLPDNBLYQN-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001006001863 753486523 /nfs/dbraw/zinc/48/65/23/753486523.db2.gz SGJHKQFSWVNWPP-WFASDCNBSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001006001863 753486525 /nfs/dbraw/zinc/48/65/25/753486525.db2.gz SGJHKQFSWVNWPP-WFASDCNBSA-N 2 1 313.873 1.859 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006118672 753612264 /nfs/dbraw/zinc/61/22/64/753612264.db2.gz JMMDGLQCRZXPIS-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189952 754855725 /nfs/dbraw/zinc/85/57/25/754855725.db2.gz OQTAFGQKPWPCDI-WBVHZDCISA-N 2 1 311.470 1.356 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006207 762357328 /nfs/dbraw/zinc/35/73/28/762357328.db2.gz FTADEUVPERPWFG-QGZVFWFLSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040208757 762439104 /nfs/dbraw/zinc/43/91/04/762439104.db2.gz DKQBKHLVFZLERH-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040208757 762439108 /nfs/dbraw/zinc/43/91/08/762439108.db2.gz DKQBKHLVFZLERH-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040208757 762439113 /nfs/dbraw/zinc/43/91/13/762439113.db2.gz DKQBKHLVFZLERH-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015326330 756242908 /nfs/dbraw/zinc/24/29/08/756242908.db2.gz YUADASNGNXLEOQ-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015326330 756242910 /nfs/dbraw/zinc/24/29/10/756242910.db2.gz YUADASNGNXLEOQ-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326330 756242913 /nfs/dbraw/zinc/24/29/13/756242913.db2.gz YUADASNGNXLEOQ-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015602725 756404535 /nfs/dbraw/zinc/40/45/35/756404535.db2.gz HDSRMYCFAJUFDU-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015602725 756404539 /nfs/dbraw/zinc/40/45/39/756404539.db2.gz HDSRMYCFAJUFDU-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015602725 756404543 /nfs/dbraw/zinc/40/45/43/756404543.db2.gz HDSRMYCFAJUFDU-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015969968 756686112 /nfs/dbraw/zinc/68/61/12/756686112.db2.gz FCUHEVUEUYOUJQ-QGZVFWFLSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097405411 757171222 /nfs/dbraw/zinc/17/12/22/757171222.db2.gz NPQFGGSQLKGEMR-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405411 757171225 /nfs/dbraw/zinc/17/12/25/757171225.db2.gz NPQFGGSQLKGEMR-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405411 757171228 /nfs/dbraw/zinc/17/12/28/757171228.db2.gz NPQFGGSQLKGEMR-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097405411 757171231 /nfs/dbraw/zinc/17/12/31/757171231.db2.gz NPQFGGSQLKGEMR-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C2 ZINC001097405411 757171233 /nfs/dbraw/zinc/17/12/33/757171233.db2.gz NPQFGGSQLKGEMR-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611683 757203075 /nfs/dbraw/zinc/20/30/75/757203075.db2.gz FAQOBTDUUQXDOD-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC001119380560 757470541 /nfs/dbraw/zinc/47/05/41/757470541.db2.gz CEPWBPFOBQZQOX-LSDHHAIUSA-N 2 1 308.470 1.360 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC001119380560 757470547 /nfs/dbraw/zinc/47/05/47/757470547.db2.gz CEPWBPFOBQZQOX-LSDHHAIUSA-N 2 1 308.470 1.360 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084405986 757564806 /nfs/dbraw/zinc/56/48/06/757564806.db2.gz BPAUGQFCDITFAV-OWCLPIDISA-N 2 1 314.433 1.869 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084405986 757564814 /nfs/dbraw/zinc/56/48/14/757564814.db2.gz BPAUGQFCDITFAV-OWCLPIDISA-N 2 1 314.433 1.869 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476382 757615395 /nfs/dbraw/zinc/61/53/95/757615395.db2.gz WCMYIURRHKGOJO-BRWVUGGUSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476382 757615402 /nfs/dbraw/zinc/61/54/02/757615402.db2.gz WCMYIURRHKGOJO-BRWVUGGUSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476382 757615407 /nfs/dbraw/zinc/61/54/07/757615407.db2.gz WCMYIURRHKGOJO-BRWVUGGUSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC)CC2)CC1 ZINC001052955068 758006173 /nfs/dbraw/zinc/00/61/73/758006173.db2.gz YHTMYZOOSLFABJ-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018050943 758506792 /nfs/dbraw/zinc/50/67/92/758506792.db2.gz CCWFHRMMTIKZHI-FJIDUMEYSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018050943 758506795 /nfs/dbraw/zinc/50/67/95/758506795.db2.gz CCWFHRMMTIKZHI-FJIDUMEYSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018050943 758506798 /nfs/dbraw/zinc/50/67/98/758506798.db2.gz CCWFHRMMTIKZHI-FJIDUMEYSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001018050943 758506801 /nfs/dbraw/zinc/50/68/01/758506801.db2.gz CCWFHRMMTIKZHI-FJIDUMEYSA-N 2 1 315.461 1.702 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134488 759209819 /nfs/dbraw/zinc/20/98/19/759209819.db2.gz FMGGGKUBCFRGLV-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134488 759209825 /nfs/dbraw/zinc/20/98/25/759209825.db2.gz FMGGGKUBCFRGLV-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134488 759209832 /nfs/dbraw/zinc/20/98/32/759209832.db2.gz FMGGGKUBCFRGLV-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085312991 759253835 /nfs/dbraw/zinc/25/38/35/759253835.db2.gz FILRBOFWEGVLBF-USXIJHARSA-N 2 1 316.449 1.957 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848190 762703936 /nfs/dbraw/zinc/70/39/36/762703936.db2.gz FUIMRWCWKVRYAB-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639803 759913585 /nfs/dbraw/zinc/91/35/85/759913585.db2.gz WIPICPGRDMTPIZ-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639803 759913589 /nfs/dbraw/zinc/91/35/89/759913589.db2.gz WIPICPGRDMTPIZ-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639803 759913596 /nfs/dbraw/zinc/91/35/96/759913596.db2.gz WIPICPGRDMTPIZ-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(=C)C ZINC001085648198 759948578 /nfs/dbraw/zinc/94/85/78/759948578.db2.gz GMUCAKYJUNKFFH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+]1CCC(=C)C ZINC001085648198 759948583 /nfs/dbraw/zinc/94/85/83/759948583.db2.gz GMUCAKYJUNKFFH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(=C)C ZINC001085648198 759948588 /nfs/dbraw/zinc/94/85/88/759948588.db2.gz GMUCAKYJUNKFFH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCC(=C)C ZINC001085648198 759948592 /nfs/dbraw/zinc/94/85/92/759948592.db2.gz GMUCAKYJUNKFFH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875732 760431058 /nfs/dbraw/zinc/43/10/58/760431058.db2.gz IJFLGKIJZBESRT-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085875732 760431060 /nfs/dbraw/zinc/43/10/60/760431060.db2.gz IJFLGKIJZBESRT-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001085986848 760657525 /nfs/dbraw/zinc/65/75/25/760657525.db2.gz OFRMKTPZTPIAQJ-FUHWJXTLSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CC2)CC1 ZINC001085987312 760659229 /nfs/dbraw/zinc/65/92/29/760659229.db2.gz ZIWVSGLMSZQDCV-QGZVFWFLSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984672 760663797 /nfs/dbraw/zinc/66/37/97/760663797.db2.gz KTYIDZFFURYTSR-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247828 760944506 /nfs/dbraw/zinc/94/45/06/760944506.db2.gz JZXBNBBBYHPEMD-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247828 760944512 /nfs/dbraw/zinc/94/45/12/760944512.db2.gz JZXBNBBBYHPEMD-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247828 760944519 /nfs/dbraw/zinc/94/45/19/760944519.db2.gz JZXBNBBBYHPEMD-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086387441 761527077 /nfs/dbraw/zinc/52/70/77/761527077.db2.gz DQDRKYHLSZCTEN-MGPQQGTHSA-N 2 1 322.840 1.997 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001000204426 761571839 /nfs/dbraw/zinc/57/18/39/761571839.db2.gz ACNDBHAXLCPXQB-AWEZNQCLSA-N 2 1 318.421 1.651 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001367741 762795328 /nfs/dbraw/zinc/79/53/28/762795328.db2.gz CJUHAYMIQYJQGU-QZTJIDSGSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001379886 762806185 /nfs/dbraw/zinc/80/61/85/762806185.db2.gz WMEVILJQGXKIQO-UHFFFAOYSA-N 2 1 300.406 1.696 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404177 762831444 /nfs/dbraw/zinc/83/14/44/762831444.db2.gz HCZDEUQCIJVDHC-QZTJIDSGSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108725767 762885457 /nfs/dbraw/zinc/88/54/57/762885457.db2.gz KMZNSCSIGJUXKD-XHSDSOJGSA-N 2 1 302.422 1.737 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001108777660 762924006 /nfs/dbraw/zinc/92/40/06/762924006.db2.gz DGWQUAXYXWJUTB-ULQDDVLXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832226 762970840 /nfs/dbraw/zinc/97/08/40/762970840.db2.gz PXPDLQNYFXYUDV-ULQDDVLXSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050140332 763203963 /nfs/dbraw/zinc/20/39/63/763203963.db2.gz LVHYAWRYYNFOIV-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050140332 763203973 /nfs/dbraw/zinc/20/39/73/763203973.db2.gz LVHYAWRYYNFOIV-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050140332 763203980 /nfs/dbraw/zinc/20/39/80/763203980.db2.gz LVHYAWRYYNFOIV-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837379 763392474 /nfs/dbraw/zinc/39/24/74/763392474.db2.gz GHSFFOSDNTVJGF-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837379 763392481 /nfs/dbraw/zinc/39/24/81/763392481.db2.gz GHSFFOSDNTVJGF-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837379 763392491 /nfs/dbraw/zinc/39/24/91/763392491.db2.gz GHSFFOSDNTVJGF-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837379 763392504 /nfs/dbraw/zinc/39/25/04/763392504.db2.gz GHSFFOSDNTVJGF-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]cn1)C2 ZINC001109386257 763639461 /nfs/dbraw/zinc/63/94/61/763639461.db2.gz SJAXMKHULGKAEY-PMPSAXMXSA-N 2 1 318.421 1.266 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042132395 763688475 /nfs/dbraw/zinc/68/84/75/763688475.db2.gz CARKTUJQGUVVDT-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3[nH]cnc3C)C[C@H]21 ZINC001042335724 763934082 /nfs/dbraw/zinc/93/40/82/763934082.db2.gz NEEZXTAIQLBQBK-GOEBONIOSA-N 2 1 300.406 1.207 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131681742 768259211 /nfs/dbraw/zinc/25/92/11/768259211.db2.gz HNFVWAWEBWIGFB-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052387095 765781206 /nfs/dbraw/zinc/78/12/06/765781206.db2.gz XSIMDFWDXRLDSD-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045920855 766700691 /nfs/dbraw/zinc/70/06/91/766700691.db2.gz BUHXWMMJDVXWKG-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045920855 766700699 /nfs/dbraw/zinc/70/06/99/766700699.db2.gz BUHXWMMJDVXWKG-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045920855 766700704 /nfs/dbraw/zinc/70/07/04/766700704.db2.gz BUHXWMMJDVXWKG-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613603 767739792 /nfs/dbraw/zinc/73/97/92/767739792.db2.gz FBASVNWBRQIVDT-YJBOKZPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613603 767739794 /nfs/dbraw/zinc/73/97/94/767739794.db2.gz FBASVNWBRQIVDT-YJBOKZPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001048512109 769473390 /nfs/dbraw/zinc/47/33/90/769473390.db2.gz VBSYHBVADAAWJV-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001048512109 769473394 /nfs/dbraw/zinc/47/33/94/769473394.db2.gz VBSYHBVADAAWJV-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048512109 769473398 /nfs/dbraw/zinc/47/33/98/769473398.db2.gz VBSYHBVADAAWJV-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001048512109 769473402 /nfs/dbraw/zinc/47/34/02/769473402.db2.gz VBSYHBVADAAWJV-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071650260 769794785 /nfs/dbraw/zinc/79/47/85/769794785.db2.gz AICQTKJKAKZOSR-GDBMZVCRSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818425 769937061 /nfs/dbraw/zinc/93/70/61/769937061.db2.gz JGYOJTOCQRZZKB-ZJPYXAASSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818425 769937069 /nfs/dbraw/zinc/93/70/69/769937069.db2.gz JGYOJTOCQRZZKB-ZJPYXAASSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818425 769937078 /nfs/dbraw/zinc/93/70/78/769937078.db2.gz JGYOJTOCQRZZKB-ZJPYXAASSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2C1 ZINC001048868676 770020107 /nfs/dbraw/zinc/02/01/07/770020107.db2.gz ILVVCOFTNZLLCE-BBWFWOEESA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2C1 ZINC001048868676 770020120 /nfs/dbraw/zinc/02/01/20/770020120.db2.gz ILVVCOFTNZLLCE-BBWFWOEESA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=C)C)C[C@@H]2C1 ZINC001048868676 770020133 /nfs/dbraw/zinc/02/01/33/770020133.db2.gz ILVVCOFTNZLLCE-BBWFWOEESA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=C)C)C[C@@H]2C1 ZINC001048868676 770020145 /nfs/dbraw/zinc/02/01/45/770020145.db2.gz ILVVCOFTNZLLCE-BBWFWOEESA-N 2 1 301.434 1.050 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048884844 770046319 /nfs/dbraw/zinc/04/63/19/770046319.db2.gz HFQSTNWDFIORSH-CALCHBBNSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959325 770167527 /nfs/dbraw/zinc/16/75/27/770167527.db2.gz FRKSDOSPYKJUEI-FGTMMUONSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107262 770388176 /nfs/dbraw/zinc/38/81/76/770388176.db2.gz CFMGKMPFRDSJLB-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107262 770388189 /nfs/dbraw/zinc/38/81/89/770388189.db2.gz CFMGKMPFRDSJLB-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107262 770388200 /nfs/dbraw/zinc/38/82/00/770388200.db2.gz CFMGKMPFRDSJLB-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133870921 770397762 /nfs/dbraw/zinc/39/77/62/770397762.db2.gz XETSVJOOHVFVGW-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@H]2C1 ZINC001049174104 770499060 /nfs/dbraw/zinc/49/90/60/770499060.db2.gz MFTRWMJGKQSSFE-BETUJISGSA-N 2 1 322.840 1.830 20 30 DDEDMP C=C(Cl)CN1C[C@@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@@H]2C1 ZINC001049174104 770499064 /nfs/dbraw/zinc/49/90/64/770499064.db2.gz MFTRWMJGKQSSFE-BETUJISGSA-N 2 1 322.840 1.830 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480082 770908628 /nfs/dbraw/zinc/90/86/28/770908628.db2.gz CWPBCHHZGQXOMZ-YLFCFFPRSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480082 770908633 /nfs/dbraw/zinc/90/86/33/770908633.db2.gz CWPBCHHZGQXOMZ-YLFCFFPRSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480082 770908639 /nfs/dbraw/zinc/90/86/39/770908639.db2.gz CWPBCHHZGQXOMZ-YLFCFFPRSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049535916 770995398 /nfs/dbraw/zinc/99/53/98/770995398.db2.gz KXEKTQUYOMVIQF-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535916 770995402 /nfs/dbraw/zinc/99/54/02/770995402.db2.gz KXEKTQUYOMVIQF-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535916 770995408 /nfs/dbraw/zinc/99/54/08/770995408.db2.gz KXEKTQUYOMVIQF-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049706091 771100554 /nfs/dbraw/zinc/10/05/54/771100554.db2.gz XZUMVANNBPMOLY-BRWVUGGUSA-N 2 1 305.466 1.661 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773317 771168504 /nfs/dbraw/zinc/16/85/04/771168504.db2.gz NORWUGQEXODZIP-CABCVRRESA-N 2 1 313.486 1.792 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847121 771204269 /nfs/dbraw/zinc/20/42/69/771204269.db2.gz ROGFQNXMOBFFLS-CABCVRRESA-N 2 1 323.868 1.900 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847121 771204272 /nfs/dbraw/zinc/20/42/72/771204272.db2.gz ROGFQNXMOBFFLS-CABCVRRESA-N 2 1 323.868 1.900 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135810242 771732837 /nfs/dbraw/zinc/73/28/37/771732837.db2.gz AZVWNBZBOFEDTC-UONOGXRCSA-N 2 1 311.389 1.387 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c(c1)C[NH2+]C2 ZINC001171069196 772219480 /nfs/dbraw/zinc/21/94/80/772219480.db2.gz BPUCRIXFYUSXBU-INIZCTEOSA-N 2 1 303.406 1.929 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091882948 773834188 /nfs/dbraw/zinc/83/41/88/773834188.db2.gz QDYSDAIDRVJBPT-AOIWGVFYSA-N 2 1 315.461 1.274 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091856267 773840912 /nfs/dbraw/zinc/84/09/12/773840912.db2.gz NIXUIQLFSQGPPJ-WBVHZDCISA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091856267 773840913 /nfs/dbraw/zinc/84/09/13/773840913.db2.gz NIXUIQLFSQGPPJ-WBVHZDCISA-N 2 1 302.422 1.548 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091974989 773910052 /nfs/dbraw/zinc/91/00/52/773910052.db2.gz AUQFCBKNPDCIGA-AEFFLSMTSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092757957 774252187 /nfs/dbraw/zinc/25/21/87/774252187.db2.gz MUYXHUDBWMAZPK-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092757957 774252190 /nfs/dbraw/zinc/25/21/90/774252190.db2.gz MUYXHUDBWMAZPK-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092757957 774252192 /nfs/dbraw/zinc/25/21/92/774252192.db2.gz MUYXHUDBWMAZPK-BRWVUGGUSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092919519 774302730 /nfs/dbraw/zinc/30/27/30/774302730.db2.gz RSRVJARGWYYGII-GDBMZVCRSA-N 2 1 317.433 1.662 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937116 774332843 /nfs/dbraw/zinc/33/28/43/774332843.db2.gz PDJRVNYZZBIPIP-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773791 774568751 /nfs/dbraw/zinc/56/87/51/774568751.db2.gz TWERWXNECAMFGE-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036773791 774568754 /nfs/dbraw/zinc/56/87/54/774568754.db2.gz TWERWXNECAMFGE-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462190 774587491 /nfs/dbraw/zinc/58/74/91/774587491.db2.gz GUYHUDCTIOFUQS-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115977 774845042 /nfs/dbraw/zinc/84/50/42/774845042.db2.gz MGSOPGIBBCUCST-CVEARBPZSA-N 2 1 307.482 1.813 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871364 775008789 /nfs/dbraw/zinc/00/87/89/775008789.db2.gz KSGCXMXQGFEVKY-GOEBONIOSA-N 2 1 312.417 1.317 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100077042 775650534 /nfs/dbraw/zinc/65/05/34/775650534.db2.gz WZWMKKIHGWMAGH-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094379776 775826929 /nfs/dbraw/zinc/82/69/29/775826929.db2.gz ADQDGKHATXLYHJ-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094379776 775826938 /nfs/dbraw/zinc/82/69/38/775826938.db2.gz ADQDGKHATXLYHJ-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094379776 775826946 /nfs/dbraw/zinc/82/69/46/775826946.db2.gz ADQDGKHATXLYHJ-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417344 775846487 /nfs/dbraw/zinc/84/64/87/775846487.db2.gz VNBJZWJRDVRDHT-YQVWRLOYSA-N 2 1 315.461 1.322 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048558 777833798 /nfs/dbraw/zinc/83/37/98/777833798.db2.gz GPDDSRCQOBRAAE-DJIMGWMZSA-N 2 1 323.481 1.213 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547438 778036892 /nfs/dbraw/zinc/03/68/92/778036892.db2.gz SNFHCIPCXNJZFM-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547438 778036901 /nfs/dbraw/zinc/03/69/01/778036901.db2.gz SNFHCIPCXNJZFM-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547438 778036912 /nfs/dbraw/zinc/03/69/12/778036912.db2.gz SNFHCIPCXNJZFM-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102417546 778126145 /nfs/dbraw/zinc/12/61/45/778126145.db2.gz ZMDXTWVTHOAWDV-HUUCEWRRSA-N 2 1 302.422 1.324 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102417546 778126151 /nfs/dbraw/zinc/12/61/51/778126151.db2.gz ZMDXTWVTHOAWDV-HUUCEWRRSA-N 2 1 302.422 1.324 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177087465 778440033 /nfs/dbraw/zinc/44/00/33/778440033.db2.gz DLSFTTDQBILFOJ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177087465 778440037 /nfs/dbraw/zinc/44/00/37/778440037.db2.gz DLSFTTDQBILFOJ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001177139632 778458358 /nfs/dbraw/zinc/45/83/58/778458358.db2.gz SLDBQUIYWKFWBQ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001177139632 778458362 /nfs/dbraw/zinc/45/83/62/778458362.db2.gz SLDBQUIYWKFWBQ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177139632 778458367 /nfs/dbraw/zinc/45/83/67/778458367.db2.gz SLDBQUIYWKFWBQ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177139632 778458370 /nfs/dbraw/zinc/45/83/70/778458370.db2.gz SLDBQUIYWKFWBQ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993866 778538880 /nfs/dbraw/zinc/53/88/80/778538880.db2.gz HSJUVQWRZSTNNU-KBAYOESNSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308716 778774252 /nfs/dbraw/zinc/77/42/52/778774252.db2.gz FJSDMAQJUXDNOS-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001178878666 779209462 /nfs/dbraw/zinc/20/94/62/779209462.db2.gz VYQLSUXAIRIBCC-ULQDDVLXSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001179399173 779357891 /nfs/dbraw/zinc/35/78/91/779357891.db2.gz SDVXMADYMSYQBZ-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCN1CCN(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)C1=O ZINC001120360745 781896110 /nfs/dbraw/zinc/89/61/10/781896110.db2.gz ZDQPFHGBOUTVMR-XHSDSOJGSA-N 2 1 306.454 1.530 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266473323 836316531 /nfs/dbraw/zinc/31/65/31/836316531.db2.gz YULKZFUWNDTHBN-MRXNPFEDSA-N 2 1 304.438 1.938 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266473323 836316549 /nfs/dbraw/zinc/31/65/49/836316549.db2.gz YULKZFUWNDTHBN-MRXNPFEDSA-N 2 1 304.438 1.938 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001266662408 836613439 /nfs/dbraw/zinc/61/34/39/836613439.db2.gz FQPFIKSNXFOGIC-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266896435 837020071 /nfs/dbraw/zinc/02/00/71/837020071.db2.gz ATNBAFRKXKYBOY-HOCLYGCPSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266896435 837020080 /nfs/dbraw/zinc/02/00/80/837020080.db2.gz ATNBAFRKXKYBOY-HOCLYGCPSA-N 2 1 302.422 1.432 20 30 DDEDMP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266988004 837153668 /nfs/dbraw/zinc/15/36/68/837153668.db2.gz BWMIJFKJZCZHJB-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267110745 837369113 /nfs/dbraw/zinc/36/91/13/837369113.db2.gz BCOGDXSUFYGQAW-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267110745 837369123 /nfs/dbraw/zinc/36/91/23/837369123.db2.gz BCOGDXSUFYGQAW-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267362939 837915032 /nfs/dbraw/zinc/91/50/32/837915032.db2.gz XPAWJYJQPXLXSQ-ZWKOTPCHSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267542033 838273308 /nfs/dbraw/zinc/27/33/08/838273308.db2.gz NITDSSYEFNIJRV-HOTGVXAUSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267542033 838273315 /nfs/dbraw/zinc/27/33/15/838273315.db2.gz NITDSSYEFNIJRV-HOTGVXAUSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267549474 838287333 /nfs/dbraw/zinc/28/73/33/838287333.db2.gz XICARSMZUSKDRF-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267549474 838287344 /nfs/dbraw/zinc/28/73/44/838287344.db2.gz XICARSMZUSKDRF-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267549474 838287353 /nfs/dbraw/zinc/28/73/53/838287353.db2.gz XICARSMZUSKDRF-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267567554 838321556 /nfs/dbraw/zinc/32/15/56/838321556.db2.gz CKKMKCQZMSNLBB-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267605452 838427030 /nfs/dbraw/zinc/42/70/30/838427030.db2.gz UWPSIWVNYFFZTB-AEFFLSMTSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267605452 838427033 /nfs/dbraw/zinc/42/70/33/838427033.db2.gz UWPSIWVNYFFZTB-AEFFLSMTSA-N 2 1 313.445 1.751 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267764020 838902645 /nfs/dbraw/zinc/90/26/45/838902645.db2.gz QSVVUPKDGDKBNM-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267764020 838902653 /nfs/dbraw/zinc/90/26/53/838902653.db2.gz QSVVUPKDGDKBNM-HOTGVXAUSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001268247034 839889001 /nfs/dbraw/zinc/88/90/01/839889001.db2.gz FYGKSOITSJXVQG-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001268247034 839889006 /nfs/dbraw/zinc/88/90/06/839889006.db2.gz FYGKSOITSJXVQG-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001268247034 839889011 /nfs/dbraw/zinc/88/90/11/839889011.db2.gz FYGKSOITSJXVQG-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268247034 839889018 /nfs/dbraw/zinc/88/90/18/839889018.db2.gz FYGKSOITSJXVQG-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253077 839900648 /nfs/dbraw/zinc/90/06/48/839900648.db2.gz KKTQUJKRZRAHPR-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001268253077 839900654 /nfs/dbraw/zinc/90/06/54/839900654.db2.gz KKTQUJKRZRAHPR-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268253077 839900661 /nfs/dbraw/zinc/90/06/61/839900661.db2.gz KKTQUJKRZRAHPR-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001268253077 839900671 /nfs/dbraw/zinc/90/06/71/839900671.db2.gz KKTQUJKRZRAHPR-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001269188554 841320106 /nfs/dbraw/zinc/32/01/06/841320106.db2.gz GSFYVCWPWLTSQT-JKSUJKDBSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccsc1 ZINC001269417163 841625684 /nfs/dbraw/zinc/62/56/84/841625684.db2.gz CYNRUBIMIJHNAW-HOTGVXAUSA-N 2 1 319.474 1.830 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccsc1 ZINC001269417163 841625690 /nfs/dbraw/zinc/62/56/90/841625690.db2.gz CYNRUBIMIJHNAW-HOTGVXAUSA-N 2 1 319.474 1.830 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001269471989 841672621 /nfs/dbraw/zinc/67/26/21/841672621.db2.gz RNQOSFPGIINTPS-AWEZNQCLSA-N 2 1 320.437 1.945 20 30 DDEDMP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001284553480 841780507 /nfs/dbraw/zinc/78/05/07/841780507.db2.gz MXEZXIVPIZMSBH-SJORKVTESA-N 2 1 307.482 1.909 20 30 DDEDMP C=CC[NH2+]CC1(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001269576064 841783204 /nfs/dbraw/zinc/78/32/04/841783204.db2.gz WBGXHSUUVXKKFT-HNNXBMFYSA-N 2 1 316.449 1.959 20 30 DDEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001269632678 841877587 /nfs/dbraw/zinc/87/75/87/841877587.db2.gz JMVYTLVLWXVVCL-UHFFFAOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001269767000 842027119 /nfs/dbraw/zinc/02/71/19/842027119.db2.gz ZGXDZVAMEUKCND-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCOCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001270102832 842295818 /nfs/dbraw/zinc/29/58/18/842295818.db2.gz MOYWHVDDDYMYPA-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001270517437 842636379 /nfs/dbraw/zinc/63/63/79/842636379.db2.gz PWKHWBKGFIPDCA-DZGCQCFKSA-N 2 1 304.438 1.672 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271100157 843211942 /nfs/dbraw/zinc/21/19/42/843211942.db2.gz IVPKYXSSEYNNIY-KBPBESRZSA-N 2 1 317.424 1.976 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC001271325774 843496223 /nfs/dbraw/zinc/49/62/23/843496223.db2.gz HDOFQQABNQOHPF-CVEARBPZSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC001271325774 843496228 /nfs/dbraw/zinc/49/62/28/843496228.db2.gz HDOFQQABNQOHPF-CVEARBPZSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC001149632585 861766699 /nfs/dbraw/zinc/76/66/99/861766699.db2.gz UAHSLALNKTWHIG-AWEZNQCLSA-N 2 1 306.410 1.126 20 30 DDEDMP C=CCN1C[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273039741 847826285 /nfs/dbraw/zinc/82/62/85/847826285.db2.gz USOUFIHYOWFJQC-GOSISDBHSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1C(=O)COCC12C[NH+](CC1(C)CC[NH+](C)CC1)C2 ZINC001273101072 847907590 /nfs/dbraw/zinc/90/75/90/847907590.db2.gz NBFNWGSATOHIDI-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCC(CC)([NH2+]CC#CCOC)CC1 ZINC001327488617 862210241 /nfs/dbraw/zinc/21/02/41/862210241.db2.gz OIDABWBBBLJDGJ-UHFFFAOYSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001274965292 852714014 /nfs/dbraw/zinc/71/40/14/852714014.db2.gz AHVYGGXTFWWTQF-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001274965292 852714020 /nfs/dbraw/zinc/71/40/20/852714020.db2.gz AHVYGGXTFWWTQF-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001274965292 852714025 /nfs/dbraw/zinc/71/40/25/852714025.db2.gz AHVYGGXTFWWTQF-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825355 862481151 /nfs/dbraw/zinc/48/11/51/862481151.db2.gz HGIQALWHBPKQQB-OAHLLOKOSA-N 2 1 304.438 1.822 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001155825355 862481161 /nfs/dbraw/zinc/48/11/61/862481161.db2.gz HGIQALWHBPKQQB-OAHLLOKOSA-N 2 1 304.438 1.822 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001151021480 862583234 /nfs/dbraw/zinc/58/32/34/862583234.db2.gz UZCYOTFXWHYXTA-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001151026627 862584955 /nfs/dbraw/zinc/58/49/55/862584955.db2.gz IAWQQXNTLQISRD-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596162 857034184 /nfs/dbraw/zinc/03/41/84/857034184.db2.gz SEWMCSMTLXXQQJ-JKSUJKDBSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596162 857034187 /nfs/dbraw/zinc/03/41/87/857034187.db2.gz SEWMCSMTLXXQQJ-JKSUJKDBSA-N 2 1 302.422 1.833 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001072755150 857671623 /nfs/dbraw/zinc/67/16/23/857671623.db2.gz WJWNJMWKIRRCHG-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072755150 857671628 /nfs/dbraw/zinc/67/16/28/857671628.db2.gz WJWNJMWKIRRCHG-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072755150 857671633 /nfs/dbraw/zinc/67/16/33/857671633.db2.gz WJWNJMWKIRRCHG-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276969346 881376122 /nfs/dbraw/zinc/37/61/22/881376122.db2.gz BSIBOWPTQKOYDC-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224854521 881558840 /nfs/dbraw/zinc/55/88/40/881558840.db2.gz CAFRBNOMJPWNHC-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001152136900 863181930 /nfs/dbraw/zinc/18/19/30/863181930.db2.gz IKTCWSFTLMPMNQ-GASCZTMLSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152137790 863184012 /nfs/dbraw/zinc/18/40/12/863184012.db2.gz OHEPWDVWMLQABS-TXEJJXNPSA-N 2 1 318.259 1.474 20 30 DDEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001328904346 863324730 /nfs/dbraw/zinc/32/47/30/863324730.db2.gz LEKWGCXKJVDRJI-CGZBRXJRSA-N 2 1 305.466 1.616 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001330241685 864181908 /nfs/dbraw/zinc/18/19/08/864181908.db2.gz JDOUSCSYFZBZCH-MRXNPFEDSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001330317325 864234521 /nfs/dbraw/zinc/23/45/21/864234521.db2.gz HEWDCSTXPBBOJZ-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001330317325 864234534 /nfs/dbraw/zinc/23/45/34/864234534.db2.gz HEWDCSTXPBBOJZ-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001330317325 864234552 /nfs/dbraw/zinc/23/45/52/864234552.db2.gz HEWDCSTXPBBOJZ-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001332115630 865588481 /nfs/dbraw/zinc/58/84/81/865588481.db2.gz FJDYOHAWLUCEQZ-IEBWSBKVSA-N 2 1 317.477 1.999 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175359 865713000 /nfs/dbraw/zinc/71/30/00/865713000.db2.gz NTCHTWXYNFISSR-NVXWUHKLSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175359 865713012 /nfs/dbraw/zinc/71/30/12/865713012.db2.gz NTCHTWXYNFISSR-NVXWUHKLSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175359 865713022 /nfs/dbraw/zinc/71/30/22/865713022.db2.gz NTCHTWXYNFISSR-NVXWUHKLSA-N 2 1 303.450 1.488 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001160996623 866260111 /nfs/dbraw/zinc/26/01/11/866260111.db2.gz FEBZTXFKJGFMJV-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160996623 866260133 /nfs/dbraw/zinc/26/01/33/866260133.db2.gz FEBZTXFKJGFMJV-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160996623 866260153 /nfs/dbraw/zinc/26/01/53/866260153.db2.gz FEBZTXFKJGFMJV-QGZVFWFLSA-N 2 1 321.465 1.420 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001161033187 866295219 /nfs/dbraw/zinc/29/52/19/866295219.db2.gz PCSLUIVOOQJWSB-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953245 867136266 /nfs/dbraw/zinc/13/62/66/867136266.db2.gz QDDSLWAENFGMMS-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953245 867136274 /nfs/dbraw/zinc/13/62/74/867136274.db2.gz QDDSLWAENFGMMS-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001161953245 867136280 /nfs/dbraw/zinc/13/62/80/867136280.db2.gz QDDSLWAENFGMMS-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325096785 867765031 /nfs/dbraw/zinc/76/50/31/867765031.db2.gz JZDAKGIEVYIADE-GOSISDBHSA-N 2 1 323.481 1.380 20 30 DDEDMP CC[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(C#N)c2)C1 ZINC001336764172 869130050 /nfs/dbraw/zinc/13/00/50/869130050.db2.gz VRKVFGCWPWODAZ-OAHLLOKOSA-N 2 1 300.406 1.818 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001164456777 869204307 /nfs/dbraw/zinc/20/43/07/869204307.db2.gz ZNRLDHNPJCFVGU-INIZCTEOSA-N 2 1 311.470 1.407 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165911736 869761435 /nfs/dbraw/zinc/76/14/35/869761435.db2.gz CFPIOJGWNGDBFF-UHFFFAOYSA-N 2 1 318.421 1.249 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317375888 870731843 /nfs/dbraw/zinc/73/18/43/870731843.db2.gz MKJLVADGKISIHB-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)CC[NH+]1CCOCC1 ZINC001317432730 871301702 /nfs/dbraw/zinc/30/17/02/871301702.db2.gz UZUPRAJWJQTLMC-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+]1CCOCC1 ZINC001317432730 871301724 /nfs/dbraw/zinc/30/17/24/871301724.db2.gz UZUPRAJWJQTLMC-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001317650735 871313925 /nfs/dbraw/zinc/31/39/25/871313925.db2.gz SEJYVBHCNXVBHD-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC001340775093 871345954 /nfs/dbraw/zinc/34/59/54/871345954.db2.gz ZBGXQYKOROKUQY-KRWDZBQOSA-N 2 1 315.417 1.171 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001205461488 871567069 /nfs/dbraw/zinc/56/70/69/871567069.db2.gz KRSDVNBYEVKRBS-GOSISDBHSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC=C)C1 ZINC001317149116 871965875 /nfs/dbraw/zinc/96/58/75/871965875.db2.gz HBXKHEPBDRUQFT-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC=C)C1 ZINC001317149116 871965885 /nfs/dbraw/zinc/96/58/85/871965885.db2.gz HBXKHEPBDRUQFT-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318493099 872113852 /nfs/dbraw/zinc/11/38/52/872113852.db2.gz WNYJOLKBRDTJLZ-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001318493099 872113856 /nfs/dbraw/zinc/11/38/56/872113856.db2.gz WNYJOLKBRDTJLZ-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318493099 872113861 /nfs/dbraw/zinc/11/38/61/872113861.db2.gz WNYJOLKBRDTJLZ-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784684 873559919 /nfs/dbraw/zinc/55/99/19/873559919.db2.gz RHUFKEJYFMSVEP-NVXWUHKLSA-N 2 1 314.433 1.368 20 30 DDEDMP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001281138380 873904646 /nfs/dbraw/zinc/90/46/46/873904646.db2.gz RIIOCLXHIDIFTG-GOSISDBHSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(Br)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001378242444 874522062 /nfs/dbraw/zinc/52/20/62/874522062.db2.gz HIFMXYAIVVYQNK-VXGBXAGGSA-N 2 1 318.259 1.474 20 30 DDEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC001208929996 874534337 /nfs/dbraw/zinc/53/43/37/874534337.db2.gz YGAUEOSCJHUXQL-QGZVFWFLSA-N 2 1 314.433 1.243 20 30 DDEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001208929996 874534344 /nfs/dbraw/zinc/53/43/44/874534344.db2.gz YGAUEOSCJHUXQL-QGZVFWFLSA-N 2 1 314.433 1.243 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209241883 874752290 /nfs/dbraw/zinc/75/22/90/874752290.db2.gz GOHCDSNXKSKMMD-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209241883 874752296 /nfs/dbraw/zinc/75/22/96/874752296.db2.gz GOHCDSNXKSKMMD-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242019 874752612 /nfs/dbraw/zinc/75/26/12/874752612.db2.gz IJMMTXAMIUORJU-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242019 874752619 /nfs/dbraw/zinc/75/26/19/874752619.db2.gz IJMMTXAMIUORJU-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001276746874 877034452 /nfs/dbraw/zinc/03/44/52/877034452.db2.gz APVVQYFJCJDQFE-OSYLJGHBSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001353517420 877394361 /nfs/dbraw/zinc/39/43/61/877394361.db2.gz GHKJDVBBAUESOY-TWMKSMIVSA-N 2 1 323.481 1.770 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001353517420 877394365 /nfs/dbraw/zinc/39/43/65/877394365.db2.gz GHKJDVBBAUESOY-TWMKSMIVSA-N 2 1 323.481 1.770 20 30 DDEDMP C=C1CC[NH2+]C[C@H]1Oc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC001218211262 877418904 /nfs/dbraw/zinc/41/89/04/877418904.db2.gz VAMJNZZHAYIDHG-GOSISDBHSA-N 3 1 301.434 1.907 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011299 878648229 /nfs/dbraw/zinc/64/82/29/878648229.db2.gz QASTVIQHIRKLKI-CVEARBPZSA-N 2 1 322.453 1.323 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001220011299 878648238 /nfs/dbraw/zinc/64/82/38/878648238.db2.gz QASTVIQHIRKLKI-CVEARBPZSA-N 2 1 322.453 1.323 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073728 878691108 /nfs/dbraw/zinc/69/11/08/878691108.db2.gz KDGAFOBYICMNFD-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073728 878691111 /nfs/dbraw/zinc/69/11/11/878691111.db2.gz KDGAFOBYICMNFD-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](O)C1 ZINC001220073728 878691114 /nfs/dbraw/zinc/69/11/14/878691114.db2.gz KDGAFOBYICMNFD-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620650 879975715 /nfs/dbraw/zinc/97/57/15/879975715.db2.gz QQTUGVSCMGMAAY-NVXWUHKLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620650 879975720 /nfs/dbraw/zinc/97/57/20/879975720.db2.gz QQTUGVSCMGMAAY-NVXWUHKLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620650 879975730 /nfs/dbraw/zinc/97/57/30/879975730.db2.gz QQTUGVSCMGMAAY-NVXWUHKLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001221643343 879987330 /nfs/dbraw/zinc/98/73/30/879987330.db2.gz ZFWLANZRWXHUPZ-BZUAXINKSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714287 880017040 /nfs/dbraw/zinc/01/70/40/880017040.db2.gz WYJYBAQNKSPMHK-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001382430618 883994038 /nfs/dbraw/zinc/99/40/38/883994038.db2.gz UYEDIBSAANUFQQ-ZDUSSCGKSA-N 2 1 319.877 1.126 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001230438301 884490795 /nfs/dbraw/zinc/49/07/95/884490795.db2.gz HWJRMEVFCWUPSW-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001230438301 884490805 /nfs/dbraw/zinc/49/08/05/884490805.db2.gz HWJRMEVFCWUPSW-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP N#CCC[NH+]1CCC2(CCC[N@H+](CCn3ccnc3)C2)CC1 ZINC001277939446 888584454 /nfs/dbraw/zinc/58/44/54/888584454.db2.gz SNJMOBBWCHIUOB-UHFFFAOYSA-N 2 1 301.438 1.975 20 30 DDEDMP N#CCC[NH+]1CCC2(CCC[N@@H+](CCn3ccnc3)C2)CC1 ZINC001277939446 888584459 /nfs/dbraw/zinc/58/44/59/888584459.db2.gz SNJMOBBWCHIUOB-UHFFFAOYSA-N 2 1 301.438 1.975 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001246307247 892530530 /nfs/dbraw/zinc/53/05/30/892530530.db2.gz LMHDHTWHKRZNEL-HOTGVXAUSA-N 2 1 309.454 1.287 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001253388887 895811772 /nfs/dbraw/zinc/81/17/72/895811772.db2.gz PRBUQAMGKXPANE-QAPCUYQASA-N 2 1 323.481 1.236 20 30 DDEDMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]2C1 ZINC001254665186 896563269 /nfs/dbraw/zinc/56/32/69/896563269.db2.gz ZLZVSJHZHDQDSN-WCXIOVBPSA-N 2 1 307.438 1.348 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]2C1 ZINC001254665186 896563280 /nfs/dbraw/zinc/56/32/80/896563280.db2.gz ZLZVSJHZHDQDSN-WCXIOVBPSA-N 2 1 307.438 1.348 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@@H]2C1 ZINC001254665186 896563295 /nfs/dbraw/zinc/56/32/95/896563295.db2.gz ZLZVSJHZHDQDSN-WCXIOVBPSA-N 2 1 307.438 1.348 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001367773981 897741080 /nfs/dbraw/zinc/74/10/80/897741080.db2.gz FFPGOGLDTAHQMX-ZDUSSCGKSA-N 2 1 320.412 1.632 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001367773981 897741087 /nfs/dbraw/zinc/74/10/87/897741087.db2.gz FFPGOGLDTAHQMX-ZDUSSCGKSA-N 2 1 320.412 1.632 20 30 DDEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001264077258 900913690 /nfs/dbraw/zinc/91/36/90/900913690.db2.gz WIOVHZLJFKSZED-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001264077258 900913696 /nfs/dbraw/zinc/91/36/96/900913696.db2.gz WIOVHZLJFKSZED-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001264077258 900913706 /nfs/dbraw/zinc/91/37/06/900913706.db2.gz WIOVHZLJFKSZED-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001264447670 901129823 /nfs/dbraw/zinc/12/98/23/901129823.db2.gz IZULIWDBVQTUGC-ZWKOTPCHSA-N 2 1 313.445 1.544 20 30 DDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001264447670 901129830 /nfs/dbraw/zinc/12/98/30/901129830.db2.gz IZULIWDBVQTUGC-ZWKOTPCHSA-N 2 1 313.445 1.544 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001264447670 901129835 /nfs/dbraw/zinc/12/98/35/901129835.db2.gz IZULIWDBVQTUGC-ZWKOTPCHSA-N 2 1 313.445 1.544 20 30 DDEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001264447670 901129840 /nfs/dbraw/zinc/12/98/40/901129840.db2.gz IZULIWDBVQTUGC-ZWKOTPCHSA-N 2 1 313.445 1.544 20 30 DDEDMP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001264575797 901189683 /nfs/dbraw/zinc/18/96/83/901189683.db2.gz SXYYEDUNGGILEM-NVXWUHKLSA-N 2 1 316.449 1.822 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001265188990 901681950 /nfs/dbraw/zinc/68/19/50/901681950.db2.gz GEVARFINCBDEOU-RDJZCZTQSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001265188990 901681958 /nfs/dbraw/zinc/68/19/58/901681958.db2.gz GEVARFINCBDEOU-RDJZCZTQSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265593569 902174701 /nfs/dbraw/zinc/17/47/01/902174701.db2.gz ZEICWVYRBVAPMN-QGZVFWFLSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266015797 902760747 /nfs/dbraw/zinc/76/07/47/902760747.db2.gz LJDCFVWFIWYCKP-YOEHRIQHSA-N 2 1 309.429 1.270 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC001280678587 903913558 /nfs/dbraw/zinc/91/35/58/903913558.db2.gz AWBUSPOOCTZWNQ-QGZVFWFLSA-N 2 1 317.433 1.121 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CCO1 ZINC001280678587 903913571 /nfs/dbraw/zinc/91/35/71/903913571.db2.gz AWBUSPOOCTZWNQ-QGZVFWFLSA-N 2 1 317.433 1.121 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001371310553 904674169 /nfs/dbraw/zinc/67/41/69/904674169.db2.gz MBQIKPMPANCQEC-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001371366556 904807859 /nfs/dbraw/zinc/80/78/59/904807859.db2.gz XKXWZRVYHOCEMH-QWHCGFSZSA-N 2 1 320.462 1.556 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001371472216 905050742 /nfs/dbraw/zinc/05/07/42/905050742.db2.gz GSPXFLOYYUHRQW-ZDUSSCGKSA-N 2 1 320.412 1.632 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](C)OC ZINC001282306572 905672333 /nfs/dbraw/zinc/67/23/33/905672333.db2.gz IYGLOLZQNHHIMQ-HOTGVXAUSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@H](C)OC ZINC001282306572 905672341 /nfs/dbraw/zinc/67/23/41/905672341.db2.gz IYGLOLZQNHHIMQ-HOTGVXAUSA-N 2 1 323.481 1.193 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001316622625 906131451 /nfs/dbraw/zinc/13/14/51/906131451.db2.gz CDRMQZITOGWQSZ-BPQIPLTHSA-N 2 1 313.445 1.797 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001282997682 906430117 /nfs/dbraw/zinc/43/01/17/906430117.db2.gz XXDLOGBVWYMICU-KDURUIRLSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001316625415 907109410 /nfs/dbraw/zinc/10/94/10/907109410.db2.gz SNMAPUORSXLOBG-JKIFEVAISA-N 2 1 309.429 1.317 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001284502316 909099527 /nfs/dbraw/zinc/09/95/27/909099527.db2.gz NFPVYUHSLCYVOD-SJORKVTESA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001284502316 909099540 /nfs/dbraw/zinc/09/95/40/909099540.db2.gz NFPVYUHSLCYVOD-SJORKVTESA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001284502316 909099550 /nfs/dbraw/zinc/09/95/50/909099550.db2.gz NFPVYUHSLCYVOD-SJORKVTESA-N 2 1 323.481 1.331 20 30 DDEDMP CN(CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001377210506 920642354 /nfs/dbraw/zinc/64/23/54/920642354.db2.gz DPKCPVIHIKNURK-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001377210506 920642364 /nfs/dbraw/zinc/64/23/64/920642364.db2.gz DPKCPVIHIKNURK-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001377210506 920642374 /nfs/dbraw/zinc/64/23/74/920642374.db2.gz DPKCPVIHIKNURK-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001377210506 920642388 /nfs/dbraw/zinc/64/23/88/920642388.db2.gz DPKCPVIHIKNURK-HNNXBMFYSA-N 2 1 320.462 1.652 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000068081089 353086204 /nfs/dbraw/zinc/08/62/04/353086204.db2.gz UXSZBPLPWWZDCX-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422331 781932144 /nfs/dbraw/zinc/93/21/44/781932144.db2.gz LQSIFNBEJLLHKE-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1nc2ncccc2cc1C#N ZINC000596425861 356875457 /nfs/dbraw/zinc/87/54/57/356875457.db2.gz XOEJRVKNEVSKSH-UHFFFAOYSA-N 2 1 312.421 1.797 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ncccc2cc1C#N ZINC000596425861 356875459 /nfs/dbraw/zinc/87/54/59/356875459.db2.gz XOEJRVKNEVSKSH-UHFFFAOYSA-N 2 1 312.421 1.797 20 30 DDEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590041 357643029 /nfs/dbraw/zinc/64/30/29/357643029.db2.gz WTZMJBQXQNQGQN-GDBMZVCRSA-N 2 1 311.470 1.312 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875965 359259838 /nfs/dbraw/zinc/25/98/38/359259838.db2.gz CMQTYQFDXQBHNQ-DOTOQJQBSA-N 2 1 320.481 1.847 20 30 DDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366889803 285037498 /nfs/dbraw/zinc/03/74/98/285037498.db2.gz YFWQKMUOEATNPM-MRXNPFEDSA-N 2 1 320.481 1.802 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(F)c1 ZINC000170915038 407555968 /nfs/dbraw/zinc/55/59/68/407555968.db2.gz HYAQQSCTKFSODK-CQSZACIVSA-N 2 1 322.428 1.765 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000152625356 407662832 /nfs/dbraw/zinc/66/28/32/407662832.db2.gz ZRKRLSOMLZNZQE-UONOGXRCSA-N 2 1 301.438 1.680 20 30 DDEDMP C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000265485809 408668088 /nfs/dbraw/zinc/66/80/88/408668088.db2.gz MDOFDYZDEGZYFF-DLBZAZTESA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000265485809 408668093 /nfs/dbraw/zinc/66/80/93/408668093.db2.gz MDOFDYZDEGZYFF-DLBZAZTESA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@@H](O)COc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000265485809 408668100 /nfs/dbraw/zinc/66/81/00/408668100.db2.gz MDOFDYZDEGZYFF-DLBZAZTESA-N 2 1 317.433 1.572 20 30 DDEDMP CCCCCCCCNC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303891980 409556935 /nfs/dbraw/zinc/55/69/35/409556935.db2.gz RBUHCHXBPRZXSA-UHFFFAOYSA-N 2 1 311.518 1.889 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2C#N)CC[N@H+]1C ZINC000316810827 409857001 /nfs/dbraw/zinc/85/70/01/409857001.db2.gz PWBUKOAIBZCQQP-VNQPRFMTSA-N 2 1 303.406 1.370 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCC(=O)N2CCCC2)C[C@@H]1C ZINC000329441107 410298196 /nfs/dbraw/zinc/29/81/96/410298196.db2.gz BFWCRMNNFBYACD-GJZGRUSLSA-N 2 1 324.469 1.370 20 30 DDEDMP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353506262 411037064 /nfs/dbraw/zinc/03/70/64/411037064.db2.gz XNLLYOWMGATLFL-KRWDZBQOSA-N 2 1 302.422 1.039 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000360338121 411129101 /nfs/dbraw/zinc/12/91/01/411129101.db2.gz OXVJCQQTNZOCAV-ZBFHGGJFSA-N 2 1 300.406 1.126 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000360338121 411129104 /nfs/dbraw/zinc/12/91/04/411129104.db2.gz OXVJCQQTNZOCAV-ZBFHGGJFSA-N 2 1 300.406 1.126 20 30 DDEDMP CC[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261982008 222266421 /nfs/dbraw/zinc/26/64/21/222266421.db2.gz PARPGZACTMDDJA-XHDPSFHLSA-N 2 1 305.426 1.521 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000264326244 222330606 /nfs/dbraw/zinc/33/06/06/222330606.db2.gz YYLXBAHMANPGON-NSHDSACASA-N 2 1 306.410 1.913 20 30 DDEDMP C[C@H]1C[N@H+](Cc2cccc(CNC3=[NH+]CCN3C)c2)CCO1 ZINC000262667885 222288702 /nfs/dbraw/zinc/28/87/02/222288702.db2.gz PRLFJLABDOFNHR-AWEZNQCLSA-N 2 1 302.422 1.298 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC3=[NH+]CCN3C)c2)CCO1 ZINC000262667885 222288705 /nfs/dbraw/zinc/28/87/05/222288705.db2.gz PRLFJLABDOFNHR-AWEZNQCLSA-N 2 1 302.422 1.298 20 30 DDEDMP CCc1nc(C[NH+]2CCC(CNC3=[NH+]C[C@H](C)N3)CC2)cs1 ZINC000262690259 222289469 /nfs/dbraw/zinc/28/94/69/222289469.db2.gz ZYZGJJAYPLEPNO-LBPRGKRZSA-N 2 1 321.494 1.855 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000262862780 222297883 /nfs/dbraw/zinc/29/78/83/222297883.db2.gz ZRYKPKYEPHFFML-HOTGVXAUSA-N 2 1 308.470 1.867 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COc2ccccc2O1 ZINC000263077205 222302758 /nfs/dbraw/zinc/30/27/58/222302758.db2.gz CPXIYJWDMCAPOA-UONOGXRCSA-N 2 1 318.421 1.215 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc([C@H](C)O)cc1 ZINC000264072967 222312571 /nfs/dbraw/zinc/31/25/71/222312571.db2.gz DQRQMNLVJZBHAY-BBRMVZONSA-N 2 1 304.438 1.629 20 30 DDEDMP C=CCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264072953 222312975 /nfs/dbraw/zinc/31/29/75/222312975.db2.gz DQIMHLUYQPDFGT-CQSZACIVSA-N 2 1 302.422 1.498 20 30 DDEDMP C=CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264072953 222312978 /nfs/dbraw/zinc/31/29/78/222312978.db2.gz DQIMHLUYQPDFGT-CQSZACIVSA-N 2 1 302.422 1.498 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CO)c(F)c1 ZINC000264099845 222316707 /nfs/dbraw/zinc/31/67/07/222316707.db2.gz NTBCYOBOZPQWBW-AWEZNQCLSA-N 2 1 308.401 1.207 20 30 DDEDMP CN1CC[NH+](Cc2ccc(CNC(=[NH2+])NC(C)(C)C)cc2)CC1 ZINC000264101966 222318009 /nfs/dbraw/zinc/31/80/09/222318009.db2.gz MVGZADIDZXPQKU-UHFFFAOYSA-N 2 1 317.481 1.637 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000363414649 418765350 /nfs/dbraw/zinc/76/53/50/418765350.db2.gz PTQMDZYQWLRAGV-XSLAGTTESA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C[NH+]3CCCC[C@@H]23)C1 ZINC000363414649 418765352 /nfs/dbraw/zinc/76/53/52/418765352.db2.gz PTQMDZYQWLRAGV-XSLAGTTESA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2[C@H](C1)C[N@@H+]1CCCC[C@@H]21 ZINC000363414649 418765354 /nfs/dbraw/zinc/76/53/54/418765354.db2.gz PTQMDZYQWLRAGV-XSLAGTTESA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363414649 418765357 /nfs/dbraw/zinc/76/53/57/418765357.db2.gz PTQMDZYQWLRAGV-XSLAGTTESA-N 2 1 317.477 1.992 20 30 DDEDMP C[N@@H+](CCCSCC#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206647 418768401 /nfs/dbraw/zinc/76/84/01/418768401.db2.gz ZJQVRTPORVKHHT-MRXNPFEDSA-N 2 1 310.511 1.734 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000364251648 418774718 /nfs/dbraw/zinc/77/47/18/418774718.db2.gz LBGZLFRMOUHWQS-UKRRQHHQSA-N 2 1 304.442 1.493 20 30 DDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000424130688 228231913 /nfs/dbraw/zinc/23/19/13/228231913.db2.gz HNYNZFMFVFVNNH-TZMCWYRMSA-N 2 1 320.462 1.632 20 30 DDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1CCc2sccc2C1 ZINC000424130688 228231915 /nfs/dbraw/zinc/23/19/15/228231915.db2.gz HNYNZFMFVFVNNH-TZMCWYRMSA-N 2 1 320.462 1.632 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000424142957 228235232 /nfs/dbraw/zinc/23/52/32/228235232.db2.gz JCUPNOCUPGNEBC-IAGOWNOFSA-N 2 1 314.433 1.788 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976018 423151800 /nfs/dbraw/zinc/15/18/00/423151800.db2.gz IVLFDGXAYMCAEL-IAGOWNOFSA-N 2 1 305.466 1.899 20 30 DDEDMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1C#N ZINC000441352135 420646977 /nfs/dbraw/zinc/64/69/77/420646977.db2.gz KCHKEUHPSBYION-UHFFFAOYSA-N 2 1 300.450 1.982 20 30 DDEDMP C[N@@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C[C@@H]1c1ccccc1 ZINC000559855212 421227384 /nfs/dbraw/zinc/22/73/84/421227384.db2.gz MPSVKMMXMFADJF-HZPDHXFCSA-N 2 1 310.405 1.575 20 30 DDEDMP C[N@H+]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C[C@@H]1c1ccccc1 ZINC000559855212 421227386 /nfs/dbraw/zinc/22/73/86/421227386.db2.gz MPSVKMMXMFADJF-HZPDHXFCSA-N 2 1 310.405 1.575 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000491523598 421198869 /nfs/dbraw/zinc/19/88/69/421198869.db2.gz FVNCBJYHWCMIKY-OAHLLOKOSA-N 2 1 300.406 1.579 20 30 DDEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013942 422476703 /nfs/dbraw/zinc/47/67/03/422476703.db2.gz OHLWYSDQKNCWBS-HNNXBMFYSA-N 2 1 324.432 1.765 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491348002 275380157 /nfs/dbraw/zinc/38/01/57/275380157.db2.gz BFNQMQMDYJVYJH-INIZCTEOSA-N 2 1 313.445 1.505 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491348002 275380158 /nfs/dbraw/zinc/38/01/58/275380158.db2.gz BFNQMQMDYJVYJH-INIZCTEOSA-N 2 1 313.445 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000491348002 275380159 /nfs/dbraw/zinc/38/01/59/275380159.db2.gz BFNQMQMDYJVYJH-INIZCTEOSA-N 2 1 313.445 1.505 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000491348002 275380160 /nfs/dbraw/zinc/38/01/60/275380160.db2.gz BFNQMQMDYJVYJH-INIZCTEOSA-N 2 1 313.445 1.505 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N(C)C ZINC000264060895 276184304 /nfs/dbraw/zinc/18/43/04/276184304.db2.gz CUQVOXJGIUNJIL-KBPBESRZSA-N 2 1 323.510 1.739 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)C#N ZINC000542878084 341024697 /nfs/dbraw/zinc/02/46/97/341024697.db2.gz TXBVEINVUMBTBJ-CABCVRRESA-N 2 1 309.458 1.204 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000491736316 526803493 /nfs/dbraw/zinc/80/34/93/526803493.db2.gz NDEUWJUKVYDZFY-UHFFFAOYSA-N 2 1 316.405 1.739 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000491625942 526814980 /nfs/dbraw/zinc/81/49/80/526814980.db2.gz IAYHNCJNTQGRRZ-KRWDZBQOSA-N 2 1 322.497 1.753 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000491625942 526814987 /nfs/dbraw/zinc/81/49/87/526814987.db2.gz IAYHNCJNTQGRRZ-KRWDZBQOSA-N 2 1 322.497 1.753 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000491625942 526814996 /nfs/dbraw/zinc/81/49/96/526814996.db2.gz IAYHNCJNTQGRRZ-KRWDZBQOSA-N 2 1 322.497 1.753 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000491513808 526823993 /nfs/dbraw/zinc/82/39/93/526823993.db2.gz FAKRWZVASHTEIY-UHFFFAOYSA-N 2 1 322.412 1.932 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000490680349 526917272 /nfs/dbraw/zinc/91/72/72/526917272.db2.gz ZKAAQKDTPOFYIQ-DOTOQJQBSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C[C@H]2C1 ZINC000980188653 696704666 /nfs/dbraw/zinc/70/46/66/696704666.db2.gz NMPXTWCPRXSAOM-OKZBNKHCSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980236337 696715311 /nfs/dbraw/zinc/71/53/11/696715311.db2.gz DGCDHJNTEZNAHI-YESZJQIVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC000980274202 696725194 /nfs/dbraw/zinc/72/51/94/696725194.db2.gz MZADIVZKRXCSHS-XHSDSOJGSA-N 2 1 300.406 1.123 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000971678859 695060282 /nfs/dbraw/zinc/06/02/82/695060282.db2.gz PJTSPODLKHLNMM-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000971678859 695060285 /nfs/dbraw/zinc/06/02/85/695060285.db2.gz PJTSPODLKHLNMM-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000971789315 695093651 /nfs/dbraw/zinc/09/36/51/695093651.db2.gz KDASBLLJWRJEIG-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598761 695693705 /nfs/dbraw/zinc/69/37/05/695693705.db2.gz ISQCOVPXIYALDP-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598761 695693706 /nfs/dbraw/zinc/69/37/06/695693706.db2.gz ISQCOVPXIYALDP-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974598761 695693707 /nfs/dbraw/zinc/69/37/07/695693707.db2.gz ISQCOVPXIYALDP-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978403927 696377269 /nfs/dbraw/zinc/37/72/69/696377269.db2.gz DESWWOYDOUTXHJ-OSYLJGHBSA-N 2 1 308.385 1.184 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981764740 696907561 /nfs/dbraw/zinc/90/75/61/696907561.db2.gz AYXBYKZQUUQMKY-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764740 696907563 /nfs/dbraw/zinc/90/75/63/696907563.db2.gz AYXBYKZQUUQMKY-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981764740 696907565 /nfs/dbraw/zinc/90/75/65/696907565.db2.gz AYXBYKZQUUQMKY-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982120029 697035304 /nfs/dbraw/zinc/03/53/04/697035304.db2.gz LRBUONKHHOMXAP-UHFFFAOYSA-N 2 1 314.433 1.872 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982120029 697035306 /nfs/dbraw/zinc/03/53/06/697035306.db2.gz LRBUONKHHOMXAP-UHFFFAOYSA-N 2 1 314.433 1.872 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000986455525 697817481 /nfs/dbraw/zinc/81/74/81/697817481.db2.gz KXECRTCGSKJQBR-TZMCWYRMSA-N 2 1 306.410 1.505 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261997484 698449774 /nfs/dbraw/zinc/44/97/74/698449774.db2.gz STMOMUOUGTZMLR-GDBMZVCRSA-N 2 1 322.497 1.719 20 30 DDEDMP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303793828 698607678 /nfs/dbraw/zinc/60/76/78/698607678.db2.gz ZWIOXRUSEAAICX-UHFFFAOYSA-N 2 1 304.438 1.723 20 30 DDEDMP COCC[N@@H+](C)CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303910466 698611138 /nfs/dbraw/zinc/61/11/38/698611138.db2.gz YXSTYECXJJGJDG-UHFFFAOYSA-N 2 1 306.454 1.662 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000732308053 699555029 /nfs/dbraw/zinc/55/50/29/699555029.db2.gz SDQKFWUPIHEGCQ-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000732308053 699555030 /nfs/dbraw/zinc/55/50/30/699555030.db2.gz SDQKFWUPIHEGCQ-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP COCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000818975836 704040534 /nfs/dbraw/zinc/04/05/34/704040534.db2.gz YNWXNFHVHSAFHU-KRWDZBQOSA-N 2 1 303.406 1.292 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000838623737 707955352 /nfs/dbraw/zinc/95/53/52/707955352.db2.gz KFXPNDXGPQBVDV-UHFFFAOYSA-N 2 1 308.470 1.363 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000838623737 707955354 /nfs/dbraw/zinc/95/53/54/707955354.db2.gz KFXPNDXGPQBVDV-UHFFFAOYSA-N 2 1 308.470 1.363 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000838623737 707955357 /nfs/dbraw/zinc/95/53/57/707955357.db2.gz KFXPNDXGPQBVDV-UHFFFAOYSA-N 2 1 308.470 1.363 20 30 DDEDMP C=CC[C@H](C)[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000883436769 708001549 /nfs/dbraw/zinc/00/15/49/708001549.db2.gz AJAJFOIBDXVQAT-GJZGRUSLSA-N 2 1 303.454 1.963 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000884200623 708186300 /nfs/dbraw/zinc/18/63/00/708186300.db2.gz GZADGLWOGKSSGP-HZPDHXFCSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000884200623 708186301 /nfs/dbraw/zinc/18/63/01/708186301.db2.gz GZADGLWOGKSSGP-HZPDHXFCSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000884200623 708186302 /nfs/dbraw/zinc/18/63/02/708186302.db2.gz GZADGLWOGKSSGP-HZPDHXFCSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000884200623 708186303 /nfs/dbraw/zinc/18/63/03/708186303.db2.gz GZADGLWOGKSSGP-HZPDHXFCSA-N 2 1 306.454 1.114 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCC)C2)C1 ZINC000884203258 708187568 /nfs/dbraw/zinc/18/75/68/708187568.db2.gz RVJKFKNIHDIXRD-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CCC)C2)C1 ZINC000884203258 708187570 /nfs/dbraw/zinc/18/75/70/708187570.db2.gz RVJKFKNIHDIXRD-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCC)C2)C1 ZINC000884203258 708187573 /nfs/dbraw/zinc/18/75/73/708187573.db2.gz RVJKFKNIHDIXRD-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](CCC)C2)C1 ZINC000884203258 708187574 /nfs/dbraw/zinc/18/75/74/708187574.db2.gz RVJKFKNIHDIXRD-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](CCC)C2)C1 ZINC000884203258 708187577 /nfs/dbraw/zinc/18/75/77/708187577.db2.gz RVJKFKNIHDIXRD-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884312339 708238822 /nfs/dbraw/zinc/23/88/22/708238822.db2.gz BVZVYYXRLVGENF-UJEKJILKSA-N 2 1 306.454 1.362 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897564056 708375917 /nfs/dbraw/zinc/37/59/17/708375917.db2.gz ZUWIYFKWURGNLO-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000890368126 709840661 /nfs/dbraw/zinc/84/06/61/709840661.db2.gz CMZGYYRRLCXQIZ-IXDOHACOSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000890368126 709840666 /nfs/dbraw/zinc/84/06/66/709840666.db2.gz CMZGYYRRLCXQIZ-IXDOHACOSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000890368126 709840669 /nfs/dbraw/zinc/84/06/69/709840669.db2.gz CMZGYYRRLCXQIZ-IXDOHACOSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000890368126 709840672 /nfs/dbraw/zinc/84/06/72/709840672.db2.gz CMZGYYRRLCXQIZ-IXDOHACOSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891921232 710328298 /nfs/dbraw/zinc/32/82/98/710328298.db2.gz KZTZIYJXPAXZEI-QGZVFWFLSA-N 2 1 308.470 1.348 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000913477741 713232762 /nfs/dbraw/zinc/23/27/62/713232762.db2.gz QWWGOBRQGMRZNJ-KRWDZBQOSA-N 2 1 301.434 1.976 20 30 DDEDMP C[N@@H+](CCc1cccc(C#N)c1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903938111 711342120 /nfs/dbraw/zinc/34/21/20/711342120.db2.gz ZVGBQJRTRSERCP-KRWDZBQOSA-N 2 1 324.432 1.749 20 30 DDEDMP C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895160242 711436949 /nfs/dbraw/zinc/43/69/49/711436949.db2.gz LNAOGUOREPGOBR-BHYGNILZSA-N 2 1 317.433 1.867 20 30 DDEDMP C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895160242 711436951 /nfs/dbraw/zinc/43/69/51/711436951.db2.gz LNAOGUOREPGOBR-BHYGNILZSA-N 2 1 317.433 1.867 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000914219420 713361055 /nfs/dbraw/zinc/36/10/55/713361055.db2.gz UMOKETMYCFUKDI-CVEARBPZSA-N 2 1 304.438 1.010 20 30 DDEDMP C#C[C@@H]1CCCN(CC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886130 713949713 /nfs/dbraw/zinc/94/97/13/713949713.db2.gz RDXIUOJJOPLSMP-RCCFBDPRSA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@@H]1CCC[NH+]([C@@H](C)CNC(=O)C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886130 713949714 /nfs/dbraw/zinc/94/97/14/713949714.db2.gz RDXIUOJJOPLSMP-RCCFBDPRSA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@@H]1CCC[NH+]([C@@H](C)CNC(=O)C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886130 713949716 /nfs/dbraw/zinc/94/97/16/713949716.db2.gz RDXIUOJJOPLSMP-RCCFBDPRSA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@@H]1CCC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886130 713949718 /nfs/dbraw/zinc/94/97/18/713949718.db2.gz RDXIUOJJOPLSMP-RCCFBDPRSA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@@H]1CCC[NH+](CC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886130 713949719 /nfs/dbraw/zinc/94/97/19/713949719.db2.gz RDXIUOJJOPLSMP-RCCFBDPRSA-N 2 1 315.461 1.182 20 30 DDEDMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)C2 ZINC000922391815 714039436 /nfs/dbraw/zinc/03/94/36/714039436.db2.gz ZXHGPMYVERNUHN-XOUADPBQSA-N 2 1 320.462 1.584 20 30 DDEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)C2 ZINC000922391815 714039438 /nfs/dbraw/zinc/03/94/38/714039438.db2.gz ZXHGPMYVERNUHN-XOUADPBQSA-N 2 1 320.462 1.584 20 30 DDEDMP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309516 714306699 /nfs/dbraw/zinc/30/66/99/714306699.db2.gz QVTOLFKTUCXHRN-MRXNPFEDSA-N 2 1 317.389 1.961 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000923565274 714407281 /nfs/dbraw/zinc/40/72/81/714407281.db2.gz FEWMARKVDXOPKX-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000923565274 714407286 /nfs/dbraw/zinc/40/72/86/714407286.db2.gz FEWMARKVDXOPKX-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000923565274 714407288 /nfs/dbraw/zinc/40/72/88/714407288.db2.gz FEWMARKVDXOPKX-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000923565274 714407291 /nfs/dbraw/zinc/40/72/91/714407291.db2.gz FEWMARKVDXOPKX-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957278415 715813286 /nfs/dbraw/zinc/81/32/86/715813286.db2.gz JGLHFVPVHZGGIU-HZPDHXFCSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000957568667 715955742 /nfs/dbraw/zinc/95/57/42/715955742.db2.gz OBIPEXOUDUUYGP-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960977479 716752973 /nfs/dbraw/zinc/75/29/73/716752973.db2.gz DAHCLIYUHMWNIZ-QLPKVWCKSA-N 2 1 323.400 1.503 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961261942 716886940 /nfs/dbraw/zinc/88/69/40/716886940.db2.gz NBAZZXQTHUHYIW-IRXDYDNUSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801730 716967315 /nfs/dbraw/zinc/96/73/15/716967315.db2.gz YJCLPFKOGWKFJJ-HUUCEWRRSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801730 716967318 /nfs/dbraw/zinc/96/73/18/716967318.db2.gz YJCLPFKOGWKFJJ-HUUCEWRRSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)CC2(C)C)CC1 ZINC000941237764 717136921 /nfs/dbraw/zinc/13/69/21/717136921.db2.gz QRWJVNAQXXQIRE-KRWDZBQOSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962731922 717569340 /nfs/dbraw/zinc/56/93/40/717569340.db2.gz ZXAODBYBCVVKQT-PIIMJCKOSA-N 2 1 311.429 1.432 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942582397 717762011 /nfs/dbraw/zinc/76/20/11/717762011.db2.gz YYRHHVGLIUAQGS-HOCLYGCPSA-N 2 1 317.433 1.805 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000965925098 717818227 /nfs/dbraw/zinc/81/82/27/717818227.db2.gz IYFAEQZHROHOTC-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000965925098 717818228 /nfs/dbraw/zinc/81/82/28/717818228.db2.gz IYFAEQZHROHOTC-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677871 718875843 /nfs/dbraw/zinc/87/58/43/718875843.db2.gz NOIBUJMDFHMNHC-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677871 718875849 /nfs/dbraw/zinc/87/58/49/718875849.db2.gz NOIBUJMDFHMNHC-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548603 719659529 /nfs/dbraw/zinc/65/95/29/719659529.db2.gz HPZMVXXJMBQJQX-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968906598 719859422 /nfs/dbraw/zinc/85/94/22/719859422.db2.gz AMXJUELEVGEJTH-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968906598 719859425 /nfs/dbraw/zinc/85/94/25/719859425.db2.gz AMXJUELEVGEJTH-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968906598 719859428 /nfs/dbraw/zinc/85/94/28/719859428.db2.gz AMXJUELEVGEJTH-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968906598 719859431 /nfs/dbraw/zinc/85/94/31/719859431.db2.gz AMXJUELEVGEJTH-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC000949244625 719972041 /nfs/dbraw/zinc/97/20/41/719972041.db2.gz REJANTNCPSBNAI-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000949466828 720107595 /nfs/dbraw/zinc/10/75/95/720107595.db2.gz UJRMWRVLECHKKB-MRXNPFEDSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000949466828 720107597 /nfs/dbraw/zinc/10/75/97/720107597.db2.gz UJRMWRVLECHKKB-MRXNPFEDSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970339546 720718478 /nfs/dbraw/zinc/71/84/78/720718478.db2.gz UGZNJCCBAVPQQP-TZMCWYRMSA-N 2 1 302.422 1.376 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC000951211852 720959554 /nfs/dbraw/zinc/95/95/54/720959554.db2.gz COXYGDNIPXWDFB-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000951211852 720959555 /nfs/dbraw/zinc/95/95/55/720959555.db2.gz COXYGDNIPXWDFB-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550057 735305219 /nfs/dbraw/zinc/30/52/19/735305219.db2.gz TVSZDZUHHBWAMC-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001023757503 735442275 /nfs/dbraw/zinc/44/22/75/735442275.db2.gz IFCGLEUFFVYXHO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023757503 735442279 /nfs/dbraw/zinc/44/22/79/735442279.db2.gz IFCGLEUFFVYXHO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757503 735442283 /nfs/dbraw/zinc/44/22/83/735442283.db2.gz IFCGLEUFFVYXHO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757503 735442287 /nfs/dbraw/zinc/44/22/87/735442287.db2.gz IFCGLEUFFVYXHO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757503 735442289 /nfs/dbraw/zinc/44/22/89/735442289.db2.gz IFCGLEUFFVYXHO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756419 733289470 /nfs/dbraw/zinc/28/94/70/733289470.db2.gz HQOJXZWCJOLRHQ-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021637266 733390455 /nfs/dbraw/zinc/39/04/55/733390455.db2.gz ZVEPKBHEPLBLQS-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021637266 733390458 /nfs/dbraw/zinc/39/04/58/733390458.db2.gz ZVEPKBHEPLBLQS-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664114 733416785 /nfs/dbraw/zinc/41/67/85/733416785.db2.gz FSWJWSRSULTHRS-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001023422745 735226048 /nfs/dbraw/zinc/22/60/48/735226048.db2.gz QOPWLYAATUPRCD-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001023422745 735226052 /nfs/dbraw/zinc/22/60/52/735226052.db2.gz QOPWLYAATUPRCD-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023422745 735226055 /nfs/dbraw/zinc/22/60/55/735226055.db2.gz QOPWLYAATUPRCD-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023422745 735226058 /nfs/dbraw/zinc/22/60/58/735226058.db2.gz QOPWLYAATUPRCD-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001023424467 735226834 /nfs/dbraw/zinc/22/68/34/735226834.db2.gz ZFVGWERMBQLBKJ-HOTGVXAUSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001023424467 735226837 /nfs/dbraw/zinc/22/68/37/735226837.db2.gz ZFVGWERMBQLBKJ-HOTGVXAUSA-N 2 1 323.868 1.665 20 30 DDEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001024615779 735985940 /nfs/dbraw/zinc/98/59/40/735985940.db2.gz HPDRBVCTSYUDBP-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024615779 735985942 /nfs/dbraw/zinc/98/59/42/735985942.db2.gz HPDRBVCTSYUDBP-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024615779 735985944 /nfs/dbraw/zinc/98/59/44/735985944.db2.gz HPDRBVCTSYUDBP-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253027 736394273 /nfs/dbraw/zinc/39/42/73/736394273.db2.gz SBMUZVPOSGAKBZ-IAGOWNOFSA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253027 736394275 /nfs/dbraw/zinc/39/42/75/736394275.db2.gz SBMUZVPOSGAKBZ-IAGOWNOFSA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042260680 737139118 /nfs/dbraw/zinc/13/91/18/737139118.db2.gz WGEBSIVFXWEARK-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C/C=C\Cl)C[C@H]32)CC1 ZINC001026149335 737147404 /nfs/dbraw/zinc/14/74/04/737147404.db2.gz SQQNWCSCPFAKDT-SLCIOLCJSA-N 2 1 321.852 1.131 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]12 ZINC001026298365 737315774 /nfs/dbraw/zinc/31/57/74/737315774.db2.gz MJFFGSMQIOKMNZ-VHDGCEQUSA-N 2 1 318.421 1.362 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036625 738956325 /nfs/dbraw/zinc/95/63/25/738956325.db2.gz FYQOBRUCURKGOF-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036625 738956329 /nfs/dbraw/zinc/95/63/29/738956329.db2.gz FYQOBRUCURKGOF-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001027472999 738331126 /nfs/dbraw/zinc/33/11/26/738331126.db2.gz BVXYTEWLZBTSJA-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027472999 738331129 /nfs/dbraw/zinc/33/11/29/738331129.db2.gz BVXYTEWLZBTSJA-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001027472999 738331132 /nfs/dbraw/zinc/33/11/32/738331132.db2.gz BVXYTEWLZBTSJA-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027547894 738393680 /nfs/dbraw/zinc/39/36/80/738393680.db2.gz YMMMKCHAYCHTSL-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027547894 738393684 /nfs/dbraw/zinc/39/36/84/738393684.db2.gz YMMMKCHAYCHTSL-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547894 738393687 /nfs/dbraw/zinc/39/36/87/738393687.db2.gz YMMMKCHAYCHTSL-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027547894 738393691 /nfs/dbraw/zinc/39/36/91/738393691.db2.gz YMMMKCHAYCHTSL-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001028334219 739370328 /nfs/dbraw/zinc/37/03/28/739370328.db2.gz XXLXSFBHKNHXAO-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035376245 751473242 /nfs/dbraw/zinc/47/32/42/751473242.db2.gz PIGMFUVEGQHFMB-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035376245 751473243 /nfs/dbraw/zinc/47/32/43/751473243.db2.gz PIGMFUVEGQHFMB-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035376245 751473245 /nfs/dbraw/zinc/47/32/45/751473245.db2.gz PIGMFUVEGQHFMB-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001028766128 740010895 /nfs/dbraw/zinc/01/08/95/740010895.db2.gz MVECIISEMPRVMF-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766128 740010899 /nfs/dbraw/zinc/01/08/99/740010899.db2.gz MVECIISEMPRVMF-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766128 740010904 /nfs/dbraw/zinc/01/09/04/740010904.db2.gz MVECIISEMPRVMF-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845327 740104458 /nfs/dbraw/zinc/10/44/58/740104458.db2.gz IRFTWWMUDMHEGU-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845327 740104460 /nfs/dbraw/zinc/10/44/60/740104460.db2.gz IRFTWWMUDMHEGU-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784707 740470062 /nfs/dbraw/zinc/47/00/62/740470062.db2.gz DTANDSBQOZGDEK-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075784707 740470064 /nfs/dbraw/zinc/47/00/64/740470064.db2.gz DTANDSBQOZGDEK-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075784707 740470067 /nfs/dbraw/zinc/47/00/67/740470067.db2.gz DTANDSBQOZGDEK-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001035610248 751716220 /nfs/dbraw/zinc/71/62/20/751716220.db2.gz VOJRBPYWGLHIID-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035610248 751716225 /nfs/dbraw/zinc/71/62/25/751716225.db2.gz VOJRBPYWGLHIID-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035610248 751716230 /nfs/dbraw/zinc/71/62/30/751716230.db2.gz VOJRBPYWGLHIID-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770563 742338726 /nfs/dbraw/zinc/33/87/26/742338726.db2.gz UDWKESKZWQMVMG-HYVNUMGLSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076083649 742531699 /nfs/dbraw/zinc/53/16/99/742531699.db2.gz LPGJJIUNAPCHEG-RCCFBDPRSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720561 751808674 /nfs/dbraw/zinc/80/86/74/751808674.db2.gz KGTXHHGUBQGIQK-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC=C)C2)CC1 ZINC001035725021 751815721 /nfs/dbraw/zinc/81/57/21/751815721.db2.gz YUIJNGJJGZOCRX-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC=C)C2)CC1 ZINC001035725021 751815728 /nfs/dbraw/zinc/81/57/28/751815728.db2.gz YUIJNGJJGZOCRX-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183410965 743831535 /nfs/dbraw/zinc/83/15/35/743831535.db2.gz UJUYQCWRSSFBII-JFIYKMOQSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001185304008 744201179 /nfs/dbraw/zinc/20/11/79/744201179.db2.gz AJEVLADQGKUMSR-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185681911 744266566 /nfs/dbraw/zinc/26/65/66/744266566.db2.gz NILPSMQACJSYFL-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992139581 744629145 /nfs/dbraw/zinc/62/91/45/744629145.db2.gz UNVGUZPOWJAIJH-BMFAXAFESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992139581 744629147 /nfs/dbraw/zinc/62/91/47/744629147.db2.gz UNVGUZPOWJAIJH-BMFAXAFESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992139581 744629149 /nfs/dbraw/zinc/62/91/49/744629149.db2.gz UNVGUZPOWJAIJH-BMFAXAFESA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992480616 744907174 /nfs/dbraw/zinc/90/71/74/744907174.db2.gz UISPJMABQQWXEN-OFQRWUPVSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992480616 744907179 /nfs/dbraw/zinc/90/71/79/744907179.db2.gz UISPJMABQQWXEN-OFQRWUPVSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992480616 744907180 /nfs/dbraw/zinc/90/71/80/744907180.db2.gz UISPJMABQQWXEN-OFQRWUPVSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992480616 744907183 /nfs/dbraw/zinc/90/71/83/744907183.db2.gz UISPJMABQQWXEN-OFQRWUPVSA-N 2 1 311.857 1.804 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248252 745457753 /nfs/dbraw/zinc/45/77/53/745457753.db2.gz MCYIHHISWTWSLU-FGTMMUONSA-N 2 1 319.493 1.672 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106274651 745513237 /nfs/dbraw/zinc/51/32/37/745513237.db2.gz PHAIJOKJUSACFP-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192656768 745847595 /nfs/dbraw/zinc/84/75/95/745847595.db2.gz VHPFXQQZANMZIL-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993608451 746230378 /nfs/dbraw/zinc/23/03/78/746230378.db2.gz AMUJINTYATYDHR-YOEHRIQHSA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197017371 747027414 /nfs/dbraw/zinc/02/74/14/747027414.db2.gz DFQBCOLNWAVVQN-BZUAXINKSA-N 2 1 311.470 1.090 20 30 DDEDMP CC[C@H](C(=O)N1CCC[N@H+](CC#CCOC)CC1)[NH+](CC)CC ZINC001197142041 747065827 /nfs/dbraw/zinc/06/58/27/747065827.db2.gz SERDYUZMDBDFBE-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP CC[C@H](C(=O)N1CCC[N@@H+](CC#CCOC)CC1)[NH+](CC)CC ZINC001197142041 747065835 /nfs/dbraw/zinc/06/58/35/747065835.db2.gz SERDYUZMDBDFBE-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001036092290 752152956 /nfs/dbraw/zinc/15/29/56/752152956.db2.gz COTSUNDGPYEVHC-DZGCQCFKSA-N 2 1 320.437 1.753 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001003516696 747262984 /nfs/dbraw/zinc/26/29/84/747262984.db2.gz XSLZRDXJADAYGH-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001197818096 747286905 /nfs/dbraw/zinc/28/69/05/747286905.db2.gz WEHANTFBPZJFLU-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197818096 747286906 /nfs/dbraw/zinc/28/69/06/747286906.db2.gz WEHANTFBPZJFLU-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001197818096 747286907 /nfs/dbraw/zinc/28/69/07/747286907.db2.gz WEHANTFBPZJFLU-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197870925 747307434 /nfs/dbraw/zinc/30/74/34/747307434.db2.gz NMPLCXXZXWSZDJ-UHFFFAOYSA-N 2 1 311.470 1.455 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668828 747352242 /nfs/dbraw/zinc/35/22/42/747352242.db2.gz PSXDPFCAWUFRFT-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496664 752174233 /nfs/dbraw/zinc/17/42/33/752174233.db2.gz QRFKZWNEZKYNRF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496664 752174236 /nfs/dbraw/zinc/17/42/36/752174236.db2.gz QRFKZWNEZKYNRF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007496664 752174239 /nfs/dbraw/zinc/17/42/39/752174239.db2.gz QRFKZWNEZKYNRF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007496664 752174242 /nfs/dbraw/zinc/17/42/42/752174242.db2.gz QRFKZWNEZKYNRF-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885097 747645421 /nfs/dbraw/zinc/64/54/21/747645421.db2.gz AOJVEBANZHIBPJ-MRXNPFEDSA-N 2 1 317.433 1.417 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297348 747805219 /nfs/dbraw/zinc/80/52/19/747805219.db2.gz AQNOTOCDRTYLHM-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297348 747805227 /nfs/dbraw/zinc/80/52/27/747805227.db2.gz AQNOTOCDRTYLHM-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001212297348 747805237 /nfs/dbraw/zinc/80/52/37/747805237.db2.gz AQNOTOCDRTYLHM-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001031979425 748345696 /nfs/dbraw/zinc/34/56/96/748345696.db2.gz VRWINMULERYFKL-UHFFFAOYSA-N 2 1 318.421 1.508 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001004383425 748391297 /nfs/dbraw/zinc/39/12/97/748391297.db2.gz YOCXUAIHRIVNCZ-IAGOWNOFSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001004383425 748391303 /nfs/dbraw/zinc/39/13/03/748391303.db2.gz YOCXUAIHRIVNCZ-IAGOWNOFSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001004383425 748391307 /nfs/dbraw/zinc/39/13/07/748391307.db2.gz YOCXUAIHRIVNCZ-IAGOWNOFSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004383425 748391315 /nfs/dbraw/zinc/39/13/15/748391315.db2.gz YOCXUAIHRIVNCZ-IAGOWNOFSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001004383425 748391323 /nfs/dbraw/zinc/39/13/23/748391323.db2.gz YOCXUAIHRIVNCZ-IAGOWNOFSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053439 748408541 /nfs/dbraw/zinc/40/85/41/748408541.db2.gz OZYHWTHROOMXFJ-HNNXBMFYSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004546081 748538729 /nfs/dbraw/zinc/53/87/29/748538729.db2.gz GETOHXFRDMZMBT-FUHWJXTLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001004546081 748538735 /nfs/dbraw/zinc/53/87/35/748538735.db2.gz GETOHXFRDMZMBT-FUHWJXTLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCCO1 ZINC001201925348 748628126 /nfs/dbraw/zinc/62/81/26/748628126.db2.gz ZHOQOGIVFIZKRG-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366141 749255145 /nfs/dbraw/zinc/25/51/45/749255145.db2.gz NSPFYYZPQNHTQX-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366141 749255148 /nfs/dbraw/zinc/25/51/48/749255148.db2.gz NSPFYYZPQNHTQX-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033355061 749258563 /nfs/dbraw/zinc/25/85/63/749258563.db2.gz UUANZGJRNHVELW-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033355061 749258569 /nfs/dbraw/zinc/25/85/69/749258569.db2.gz UUANZGJRNHVELW-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033355061 749258574 /nfs/dbraw/zinc/25/85/74/749258574.db2.gz UUANZGJRNHVELW-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357577 749262378 /nfs/dbraw/zinc/26/23/78/749262378.db2.gz IGAWXBUTAACHIT-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357577 749262382 /nfs/dbraw/zinc/26/23/82/749262382.db2.gz IGAWXBUTAACHIT-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357577 749262388 /nfs/dbraw/zinc/26/23/88/749262388.db2.gz IGAWXBUTAACHIT-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357577 749262391 /nfs/dbraw/zinc/26/23/91/749262391.db2.gz IGAWXBUTAACHIT-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033416553 749315091 /nfs/dbraw/zinc/31/50/91/749315091.db2.gz QHHDPNMWHSKNJJ-WMLDXEAASA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033416553 749315094 /nfs/dbraw/zinc/31/50/94/749315094.db2.gz QHHDPNMWHSKNJJ-WMLDXEAASA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033416553 749315096 /nfs/dbraw/zinc/31/50/96/749315096.db2.gz QHHDPNMWHSKNJJ-WMLDXEAASA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033416553 749315099 /nfs/dbraw/zinc/31/50/99/749315099.db2.gz QHHDPNMWHSKNJJ-WMLDXEAASA-N 2 1 309.429 1.365 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108343588 761959484 /nfs/dbraw/zinc/95/94/84/761959484.db2.gz VIVDOJSLTIMGIW-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343588 761959488 /nfs/dbraw/zinc/95/94/88/761959488.db2.gz VIVDOJSLTIMGIW-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343588 761959492 /nfs/dbraw/zinc/95/94/92/761959492.db2.gz VIVDOJSLTIMGIW-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343520 761958286 /nfs/dbraw/zinc/95/82/86/761958286.db2.gz UIWUJTFVOGXRGK-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343520 761958288 /nfs/dbraw/zinc/95/82/88/761958288.db2.gz UIWUJTFVOGXRGK-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343520 761958294 /nfs/dbraw/zinc/95/82/94/761958294.db2.gz UIWUJTFVOGXRGK-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001033686289 749715760 /nfs/dbraw/zinc/71/57/60/749715760.db2.gz CBDSRYNODWWHKZ-MRXNPFEDSA-N 2 1 309.429 1.224 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996618137 749792350 /nfs/dbraw/zinc/79/23/50/749792350.db2.gz DKJPGRHYVCSVHD-CVEARBPZSA-N 2 1 307.438 1.006 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039390108 761990209 /nfs/dbraw/zinc/99/02/09/761990209.db2.gz VYQXDQRHQQDVNG-IKGGRYGDSA-N 2 1 305.466 1.661 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001039390108 761990215 /nfs/dbraw/zinc/99/02/15/761990215.db2.gz VYQXDQRHQQDVNG-IKGGRYGDSA-N 2 1 305.466 1.661 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855671 749993798 /nfs/dbraw/zinc/99/37/98/749993798.db2.gz MOZHEBHVGRPZPL-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855671 749993803 /nfs/dbraw/zinc/99/38/03/749993803.db2.gz MOZHEBHVGRPZPL-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855671 749993806 /nfs/dbraw/zinc/99/38/06/749993806.db2.gz MOZHEBHVGRPZPL-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855672 749994522 /nfs/dbraw/zinc/99/45/22/749994522.db2.gz MOZHEBHVGRPZPL-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855672 749994528 /nfs/dbraw/zinc/99/45/28/749994528.db2.gz MOZHEBHVGRPZPL-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855672 749994531 /nfs/dbraw/zinc/99/45/31/749994531.db2.gz MOZHEBHVGRPZPL-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033992607 750228876 /nfs/dbraw/zinc/22/88/76/750228876.db2.gz UEUKJNAYFQVUBW-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048679 750317493 /nfs/dbraw/zinc/31/74/93/750317493.db2.gz RZKKJRYGYJISPT-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048679 750317498 /nfs/dbraw/zinc/31/74/98/750317498.db2.gz RZKKJRYGYJISPT-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048679 750317503 /nfs/dbraw/zinc/31/75/03/750317503.db2.gz RZKKJRYGYJISPT-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034048679 750317506 /nfs/dbraw/zinc/31/75/06/750317506.db2.gz RZKKJRYGYJISPT-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048679 750317512 /nfs/dbraw/zinc/31/75/12/750317512.db2.gz RZKKJRYGYJISPT-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398970 762030540 /nfs/dbraw/zinc/03/05/40/762030540.db2.gz LIMJQSPHSGDJBP-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538849 750541921 /nfs/dbraw/zinc/54/19/21/750541921.db2.gz SKYXQLLVDFYVQX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538849 750541929 /nfs/dbraw/zinc/54/19/29/750541929.db2.gz SKYXQLLVDFYVQX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538849 750541933 /nfs/dbraw/zinc/54/19/33/750541933.db2.gz SKYXQLLVDFYVQX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001034642208 750624693 /nfs/dbraw/zinc/62/46/93/750624693.db2.gz BYKOMPSQUHNBBD-LUKYLMHMSA-N 2 1 303.450 1.511 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107950114 750815779 /nfs/dbraw/zinc/81/57/79/750815779.db2.gz XTVXKLYPNCIOQW-AEFFLSMTSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107950114 750815785 /nfs/dbraw/zinc/81/57/85/750815785.db2.gz XTVXKLYPNCIOQW-AEFFLSMTSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114624055 750864788 /nfs/dbraw/zinc/86/47/88/750864788.db2.gz KTPRBOAIVMBCEV-VQFNDLOPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624055 750864795 /nfs/dbraw/zinc/86/47/95/750864795.db2.gz KTPRBOAIVMBCEV-VQFNDLOPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624055 750864804 /nfs/dbraw/zinc/86/48/04/750864804.db2.gz KTPRBOAIVMBCEV-VQFNDLOPSA-N 2 1 303.450 1.321 20 30 DDEDMP N#Cc1c(N)sc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1Cl ZINC001205230729 751073443 /nfs/dbraw/zinc/07/34/43/751073443.db2.gz UMOPHKQJTNFLSO-ZDUSSCGKSA-N 2 1 314.842 1.531 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001036293269 752332446 /nfs/dbraw/zinc/33/24/46/752332446.db2.gz IKPVSVUAXCEEND-FZMZJTMJSA-N 2 1 310.829 1.771 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000999413203 752899118 /nfs/dbraw/zinc/89/91/18/752899118.db2.gz YODUAGBSWGOPNH-UHFFFAOYSA-N 2 1 316.405 1.096 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000779701 762193209 /nfs/dbraw/zinc/19/32/09/762193209.db2.gz ZIXXNTHTOABTLV-MRXNPFEDSA-N 2 1 312.417 1.532 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001000779701 762193217 /nfs/dbraw/zinc/19/32/17/762193217.db2.gz ZIXXNTHTOABTLV-MRXNPFEDSA-N 2 1 312.417 1.532 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001108006977 753493849 /nfs/dbraw/zinc/49/38/49/753493849.db2.gz IYWZORMPLQDYBW-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108006977 753493852 /nfs/dbraw/zinc/49/38/52/753493852.db2.gz IYWZORMPLQDYBW-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006977 753493855 /nfs/dbraw/zinc/49/38/55/753493855.db2.gz IYWZORMPLQDYBW-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006977 753493858 /nfs/dbraw/zinc/49/38/58/753493858.db2.gz IYWZORMPLQDYBW-AEFFLSMTSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001739007 754480865 /nfs/dbraw/zinc/48/08/65/754480865.db2.gz PYXQYUXXWVENII-GOSISDBHSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000888378 762304794 /nfs/dbraw/zinc/30/47/94/762304794.db2.gz YWYUWXAUNQOJCZ-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888378 762304799 /nfs/dbraw/zinc/30/47/99/762304799.db2.gz YWYUWXAUNQOJCZ-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888378 762304806 /nfs/dbraw/zinc/30/48/06/762304806.db2.gz YWYUWXAUNQOJCZ-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080021478 755686086 /nfs/dbraw/zinc/68/60/86/755686086.db2.gz BFTQSUVEWWUREB-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021478 755686091 /nfs/dbraw/zinc/68/60/91/755686091.db2.gz BFTQSUVEWWUREB-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021478 755686094 /nfs/dbraw/zinc/68/60/94/755686094.db2.gz BFTQSUVEWWUREB-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015694881 756471649 /nfs/dbraw/zinc/47/16/49/756471649.db2.gz CNQACMFDICGPNJ-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015694881 756471652 /nfs/dbraw/zinc/47/16/52/756471652.db2.gz CNQACMFDICGPNJ-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015694881 756471656 /nfs/dbraw/zinc/47/16/56/756471656.db2.gz CNQACMFDICGPNJ-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015695879 756472427 /nfs/dbraw/zinc/47/24/27/756472427.db2.gz QZKSXITVSQEVOY-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015695879 756472428 /nfs/dbraw/zinc/47/24/28/756472428.db2.gz QZKSXITVSQEVOY-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015695879 756472430 /nfs/dbraw/zinc/47/24/30/756472430.db2.gz QZKSXITVSQEVOY-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015695879 756472432 /nfs/dbraw/zinc/47/24/32/756472432.db2.gz QZKSXITVSQEVOY-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705669 756481513 /nfs/dbraw/zinc/48/15/13/756481513.db2.gz NSDXBKRHAJFYGA-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705669 756481516 /nfs/dbraw/zinc/48/15/16/756481516.db2.gz NSDXBKRHAJFYGA-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001070760 762521562 /nfs/dbraw/zinc/52/15/62/762521562.db2.gz UYNKNPOSSSMZAY-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070760 762521569 /nfs/dbraw/zinc/52/15/69/762521569.db2.gz UYNKNPOSSSMZAY-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001001070760 762521575 /nfs/dbraw/zinc/52/15/75/762521575.db2.gz UYNKNPOSSSMZAY-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611676 757203180 /nfs/dbraw/zinc/20/31/80/757203180.db2.gz FAQOBTDUUQXDOD-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052824787 757829826 /nfs/dbraw/zinc/82/98/26/757829826.db2.gz AIADVKATFKDKSJ-MRXNPFEDSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001052824787 757829842 /nfs/dbraw/zinc/82/98/42/757829842.db2.gz AIADVKATFKDKSJ-MRXNPFEDSA-N 2 1 323.400 1.485 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871047 757908293 /nfs/dbraw/zinc/90/82/93/757908293.db2.gz BXPGRKOIUQZNMH-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052871047 757908296 /nfs/dbraw/zinc/90/82/96/757908296.db2.gz BXPGRKOIUQZNMH-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955202 758006392 /nfs/dbraw/zinc/00/63/92/758006392.db2.gz ASSXNZYMDWWFSR-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955202 758006403 /nfs/dbraw/zinc/00/64/03/758006403.db2.gz ASSXNZYMDWWFSR-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001052955202 758006411 /nfs/dbraw/zinc/00/64/11/758006411.db2.gz ASSXNZYMDWWFSR-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC=C)CC2)CC1 ZINC001052959262 758013184 /nfs/dbraw/zinc/01/31/84/758013184.db2.gz TVGSVHIKMSPPPK-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050029 758108919 /nfs/dbraw/zinc/10/89/19/758108919.db2.gz BGDAJZKPZHPJMS-ROUUACIJSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001017657013 758125031 /nfs/dbraw/zinc/12/50/31/758125031.db2.gz WIYMYTVCYYOCHK-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001017657013 758125041 /nfs/dbraw/zinc/12/50/41/758125041.db2.gz WIYMYTVCYYOCHK-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001017657013 758125047 /nfs/dbraw/zinc/12/50/47/758125047.db2.gz WIYMYTVCYYOCHK-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001017657013 758125051 /nfs/dbraw/zinc/12/50/51/758125051.db2.gz WIYMYTVCYYOCHK-WCXIOVBPSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997845 758131379 /nfs/dbraw/zinc/13/13/79/758131379.db2.gz CDABDJDQKTWWEC-NJAFHUGGSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001040641768 762635770 /nfs/dbraw/zinc/63/57/70/762635770.db2.gz VLAKWJFOALUELW-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=C)C ZINC001085229994 759178756 /nfs/dbraw/zinc/17/87/56/759178756.db2.gz VMSNVZXSHYNDNG-ZACQAIPSSA-N 2 1 303.450 1.677 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=C)C ZINC001085229994 759178759 /nfs/dbraw/zinc/17/87/59/759178759.db2.gz VMSNVZXSHYNDNG-ZACQAIPSSA-N 2 1 303.450 1.677 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001054146219 759224821 /nfs/dbraw/zinc/22/48/21/759224821.db2.gz AOQYHLYKJYUEIT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146219 759224827 /nfs/dbraw/zinc/22/48/27/759224827.db2.gz AOQYHLYKJYUEIT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001054146219 759224829 /nfs/dbraw/zinc/22/48/29/759224829.db2.gz AOQYHLYKJYUEIT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054198557 759285671 /nfs/dbraw/zinc/28/56/71/759285671.db2.gz ZRCBZPVVQMIMDM-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198557 759285672 /nfs/dbraw/zinc/28/56/72/759285672.db2.gz ZRCBZPVVQMIMDM-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198557 759285677 /nfs/dbraw/zinc/28/56/77/759285677.db2.gz ZRCBZPVVQMIMDM-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054289582 759397474 /nfs/dbraw/zinc/39/74/74/759397474.db2.gz KBNYDENJLXRNDV-UHFFFAOYSA-N 2 1 311.429 1.900 20 30 DDEDMP C=CC[N@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054289582 759397484 /nfs/dbraw/zinc/39/74/84/759397484.db2.gz KBNYDENJLXRNDV-UHFFFAOYSA-N 2 1 311.429 1.900 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001018963177 759455877 /nfs/dbraw/zinc/45/58/77/759455877.db2.gz CDHSJKLACHMHGI-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597654 759808569 /nfs/dbraw/zinc/80/85/69/759808569.db2.gz CFWIDXZJEHZIIE-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001019384180 759880104 /nfs/dbraw/zinc/88/01/04/759880104.db2.gz VVLCQJBFEDZOGS-KGLIPLIRSA-N 2 1 322.840 1.697 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001085778862 760211726 /nfs/dbraw/zinc/21/17/26/760211726.db2.gz IXXRBMHKKSPWLZ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778862 760211729 /nfs/dbraw/zinc/21/17/29/760211729.db2.gz IXXRBMHKKSPWLZ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778862 760211732 /nfs/dbraw/zinc/21/17/32/760211732.db2.gz IXXRBMHKKSPWLZ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778862 760211736 /nfs/dbraw/zinc/21/17/36/760211736.db2.gz IXXRBMHKKSPWLZ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789023 760245757 /nfs/dbraw/zinc/24/57/57/760245757.db2.gz YVQHABBDEDPOFZ-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789023 760245763 /nfs/dbraw/zinc/24/57/63/760245763.db2.gz YVQHABBDEDPOFZ-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086109816 760996003 /nfs/dbraw/zinc/99/60/03/760996003.db2.gz GCZIXYIQRWAHCN-YOHUBWIESA-N 2 1 317.477 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001086109816 760996017 /nfs/dbraw/zinc/99/60/17/760996017.db2.gz GCZIXYIQRWAHCN-YOHUBWIESA-N 2 1 317.477 1.615 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001038647434 761247803 /nfs/dbraw/zinc/24/78/03/761247803.db2.gz SRZHMTMYOQLGQJ-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001038647434 761247810 /nfs/dbraw/zinc/24/78/10/761247810.db2.gz SRZHMTMYOQLGQJ-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000261756 761607667 /nfs/dbraw/zinc/60/76/67/761607667.db2.gz VIEKJTPEUORTBS-GDBMZVCRSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001474462 762896292 /nfs/dbraw/zinc/89/62/92/762896292.db2.gz ZJNGNYPBADTBON-KRWDZBQOSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001001476488 762897805 /nfs/dbraw/zinc/89/78/05/762897805.db2.gz MKNOPDJWXDEXNE-OAHLLOKOSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359122 762979871 /nfs/dbraw/zinc/97/98/71/762979871.db2.gz RWTGFHHJWZGXAJ-CRAIPNDOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359122 762979872 /nfs/dbraw/zinc/97/98/72/762979872.db2.gz RWTGFHHJWZGXAJ-CRAIPNDOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041408566 763009952 /nfs/dbraw/zinc/00/99/52/763009952.db2.gz MTQQWXUTVIWMTM-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041408566 763009959 /nfs/dbraw/zinc/00/99/59/763009959.db2.gz MTQQWXUTVIWMTM-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041408566 763009963 /nfs/dbraw/zinc/00/99/63/763009963.db2.gz MTQQWXUTVIWMTM-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050104545 763140355 /nfs/dbraw/zinc/14/03/55/763140355.db2.gz VNWSQHIWGZJGKF-KSZLIROESA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001041601068 763171871 /nfs/dbraw/zinc/17/18/71/763171871.db2.gz XJDTVYOODQWAPB-WMZOPIPTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001041601068 763171872 /nfs/dbraw/zinc/17/18/72/763171872.db2.gz XJDTVYOODQWAPB-WMZOPIPTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041601068 763171875 /nfs/dbraw/zinc/17/18/75/763171875.db2.gz XJDTVYOODQWAPB-WMZOPIPTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041601068 763171879 /nfs/dbraw/zinc/17/18/79/763171879.db2.gz XJDTVYOODQWAPB-WMZOPIPTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139806 763202377 /nfs/dbraw/zinc/20/23/77/763202377.db2.gz INHSTXNSAINXLV-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139806 763202386 /nfs/dbraw/zinc/20/23/86/763202386.db2.gz INHSTXNSAINXLV-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139806 763202397 /nfs/dbraw/zinc/20/23/97/763202397.db2.gz INHSTXNSAINXLV-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041680272 763218834 /nfs/dbraw/zinc/21/88/34/763218834.db2.gz QPYKCRKCWRVZHN-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041680272 763218840 /nfs/dbraw/zinc/21/88/40/763218840.db2.gz QPYKCRKCWRVZHN-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041680272 763218845 /nfs/dbraw/zinc/21/88/45/763218845.db2.gz QPYKCRKCWRVZHN-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169982123 763418117 /nfs/dbraw/zinc/41/81/17/763418117.db2.gz JLQABXVGIPVPEP-UONOGXRCSA-N 2 1 317.861 1.334 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169982123 763418126 /nfs/dbraw/zinc/41/81/26/763418126.db2.gz JLQABXVGIPVPEP-UONOGXRCSA-N 2 1 317.861 1.334 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109417973 763676305 /nfs/dbraw/zinc/67/63/05/763676305.db2.gz SLRHJVIPBQBWBE-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109417973 763676311 /nfs/dbraw/zinc/67/63/11/763676311.db2.gz SLRHJVIPBQBWBE-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001109417973 763676315 /nfs/dbraw/zinc/67/63/15/763676315.db2.gz SLRHJVIPBQBWBE-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449172 763713975 /nfs/dbraw/zinc/71/39/75/763713975.db2.gz IUUXSWRVNTZBJQ-PMPSAXMXSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156640 763720309 /nfs/dbraw/zinc/72/03/09/763720309.db2.gz JTMSMPZTFKTLRZ-QAPCUYQASA-N 2 1 322.412 1.894 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270974 763847071 /nfs/dbraw/zinc/84/70/71/763847071.db2.gz VGNSBEWLBOALCM-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270974 763847079 /nfs/dbraw/zinc/84/70/79/763847079.db2.gz VGNSBEWLBOALCM-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297781 763878749 /nfs/dbraw/zinc/87/87/49/763878749.db2.gz VKGAENVZSJTYGO-AEFFLSMTSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)CC1 ZINC001050694849 763930201 /nfs/dbraw/zinc/93/02/01/763930201.db2.gz MOUHUMQVQZUMDE-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046993930 768177771 /nfs/dbraw/zinc/17/77/71/768177771.db2.gz ZUFRVNPZIPCZTI-QWHCGFSZSA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993930 768177776 /nfs/dbraw/zinc/17/77/76/768177776.db2.gz ZUFRVNPZIPCZTI-QWHCGFSZSA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993930 768177779 /nfs/dbraw/zinc/17/77/79/768177779.db2.gz ZUFRVNPZIPCZTI-QWHCGFSZSA-N 2 1 301.381 1.198 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H](C)O2 ZINC001131668685 768250232 /nfs/dbraw/zinc/25/02/32/768250232.db2.gz CABRAMFYFCNTMA-MAUKXSAKSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H](C)O2 ZINC001131668685 768250234 /nfs/dbraw/zinc/25/02/34/768250234.db2.gz CABRAMFYFCNTMA-MAUKXSAKSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H](C)O2 ZINC001131668685 768250238 /nfs/dbraw/zinc/25/02/38/768250238.db2.gz CABRAMFYFCNTMA-MAUKXSAKSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC)C3)CC1 ZINC001047209846 768316718 /nfs/dbraw/zinc/31/67/18/768316718.db2.gz YDIOGEAPDYGOCU-UAGQMJEPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052438487 765827942 /nfs/dbraw/zinc/82/79/42/765827942.db2.gz UDDSPIZGIHDCKZ-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052438487 765827946 /nfs/dbraw/zinc/82/79/46/765827946.db2.gz UDDSPIZGIHDCKZ-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052438487 765827951 /nfs/dbraw/zinc/82/79/51/765827951.db2.gz UDDSPIZGIHDCKZ-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658409 766046744 /nfs/dbraw/zinc/04/67/44/766046744.db2.gz NAGUDDNQNUBPRJ-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001052658409 766046750 /nfs/dbraw/zinc/04/67/50/766046750.db2.gz NAGUDDNQNUBPRJ-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658409 766046756 /nfs/dbraw/zinc/04/67/56/766046756.db2.gz NAGUDDNQNUBPRJ-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001045966898 766746068 /nfs/dbraw/zinc/74/60/68/766746068.db2.gz IZFWWEQNQOTALT-WMZOPIPTSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001129771493 767000138 /nfs/dbraw/zinc/00/01/38/767000138.db2.gz YSIORYWBHVKMLY-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1C ZINC001129771493 767000150 /nfs/dbraw/zinc/00/01/50/767000150.db2.gz YSIORYWBHVKMLY-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CCC[NH+](C)C)C1 ZINC001130412323 767505821 /nfs/dbraw/zinc/50/58/21/767505821.db2.gz OMPQDKYJMSYIMM-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046437821 767568145 /nfs/dbraw/zinc/56/81/45/767568145.db2.gz WTFUPWQGQGZPBU-GOSISDBHSA-N 2 1 310.401 1.860 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001098479075 768885009 /nfs/dbraw/zinc/88/50/09/768885009.db2.gz QYKIJVUCNCMZPF-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098479075 768885022 /nfs/dbraw/zinc/88/50/22/768885022.db2.gz QYKIJVUCNCMZPF-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001098479075 768885037 /nfs/dbraw/zinc/88/50/37/768885037.db2.gz QYKIJVUCNCMZPF-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241551 769183293 /nfs/dbraw/zinc/18/32/93/769183293.db2.gz WRUNDXNOXNQEAF-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048888469 770057586 /nfs/dbraw/zinc/05/75/86/770057586.db2.gz QBEGKPXGDGSLPT-VVLHAWIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C[C@H]2C1 ZINC001048888469 770057597 /nfs/dbraw/zinc/05/75/97/770057597.db2.gz QBEGKPXGDGSLPT-VVLHAWIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@H]2C1 ZINC001048888469 770057608 /nfs/dbraw/zinc/05/76/08/770057608.db2.gz QBEGKPXGDGSLPT-VVLHAWIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071974597 770370889 /nfs/dbraw/zinc/37/08/89/770370889.db2.gz OIUVTAJRLQLGRZ-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133870919 770399228 /nfs/dbraw/zinc/39/92/28/770399228.db2.gz XETSVJOOHVFVGW-HIFRSBDPSA-N 2 1 304.438 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071997624 770408872 /nfs/dbraw/zinc/40/88/72/770408872.db2.gz CDKDEVNHCCSWMJ-GJZGRUSLSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071997624 770408878 /nfs/dbraw/zinc/40/88/78/770408878.db2.gz CDKDEVNHCCSWMJ-GJZGRUSLSA-N 2 1 314.433 1.754 20 30 DDEDMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049670755 771069529 /nfs/dbraw/zinc/06/95/29/771069529.db2.gz GPONDJCEPBFSIY-NXOAAHMSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670755 771069534 /nfs/dbraw/zinc/06/95/34/771069534.db2.gz GPONDJCEPBFSIY-NXOAAHMSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670755 771069540 /nfs/dbraw/zinc/06/95/40/771069540.db2.gz GPONDJCEPBFSIY-NXOAAHMSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021537 771281861 /nfs/dbraw/zinc/28/18/61/771281861.db2.gz PCQCXGDQSGTNEW-KGLIPLIRSA-N 2 1 304.438 1.821 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731320 771382405 /nfs/dbraw/zinc/38/24/05/771382405.db2.gz GNVLHXPGZLBFMD-QKPAOTATSA-N 2 1 309.454 1.156 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731320 771382409 /nfs/dbraw/zinc/38/24/09/771382409.db2.gz GNVLHXPGZLBFMD-QKPAOTATSA-N 2 1 309.454 1.156 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001097112524 771628829 /nfs/dbraw/zinc/62/88/29/771628829.db2.gz WTABKTLDSKWFMP-OAGGEKHMSA-N 2 1 312.417 1.117 20 30 DDEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001097112524 771628834 /nfs/dbraw/zinc/62/88/34/771628834.db2.gz WTABKTLDSKWFMP-OAGGEKHMSA-N 2 1 312.417 1.117 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001091301000 772663636 /nfs/dbraw/zinc/66/36/36/772663636.db2.gz CYVKPCJDHUFUDM-UHFFFAOYSA-N 2 1 311.389 1.551 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001147884980 773285821 /nfs/dbraw/zinc/28/58/21/773285821.db2.gz IXCYQKWSQOSWSX-CQSZACIVSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073672794 773288445 /nfs/dbraw/zinc/28/84/45/773288445.db2.gz PMJJJNJHIFNTFR-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001073672794 773288452 /nfs/dbraw/zinc/28/84/52/773288452.db2.gz PMJJJNJHIFNTFR-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001073672794 773288459 /nfs/dbraw/zinc/28/84/59/773288459.db2.gz PMJJJNJHIFNTFR-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091716161 773458293 /nfs/dbraw/zinc/45/82/93/773458293.db2.gz LPOOEDAUIJTLOM-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716161 773458295 /nfs/dbraw/zinc/45/82/95/773458295.db2.gz LPOOEDAUIJTLOM-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716161 773458296 /nfs/dbraw/zinc/45/82/96/773458296.db2.gz LPOOEDAUIJTLOM-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091788440 773807100 /nfs/dbraw/zinc/80/71/00/773807100.db2.gz ZXERDTDSVPAETN-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788440 773807105 /nfs/dbraw/zinc/80/71/05/773807105.db2.gz ZXERDTDSVPAETN-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788440 773807109 /nfs/dbraw/zinc/80/71/09/773807109.db2.gz ZXERDTDSVPAETN-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823783 773830747 /nfs/dbraw/zinc/83/07/47/773830747.db2.gz JQHGTHXYNBODQB-QAPCUYQASA-N 2 1 308.385 1.361 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@]2(C)C1 ZINC001092233966 774022691 /nfs/dbraw/zinc/02/26/91/774022691.db2.gz VXAWMTVSTKNJSO-NEWSRXKRSA-N 2 1 317.477 1.829 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@]2(C)C1 ZINC001092233966 774022694 /nfs/dbraw/zinc/02/26/94/774022694.db2.gz VXAWMTVSTKNJSO-NEWSRXKRSA-N 2 1 317.477 1.829 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@]2(C)C1 ZINC001092233966 774022699 /nfs/dbraw/zinc/02/26/99/774022699.db2.gz VXAWMTVSTKNJSO-NEWSRXKRSA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036736493 774430067 /nfs/dbraw/zinc/43/00/67/774430067.db2.gz AKUTUQGNJXURQQ-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736493 774430068 /nfs/dbraw/zinc/43/00/68/774430068.db2.gz AKUTUQGNJXURQQ-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736493 774430069 /nfs/dbraw/zinc/43/00/69/774430069.db2.gz AKUTUQGNJXURQQ-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773970 774569675 /nfs/dbraw/zinc/56/96/75/774569675.db2.gz WPPPZHCHGCRQOG-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773970 774569676 /nfs/dbraw/zinc/56/96/76/774569676.db2.gz WPPPZHCHGCRQOG-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794507 774642730 /nfs/dbraw/zinc/64/27/30/774642730.db2.gz WHXLHSUXQNOZMA-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842727 774895584 /nfs/dbraw/zinc/89/55/84/774895584.db2.gz UJMZDTZLWLUQMN-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036842727 774895597 /nfs/dbraw/zinc/89/55/97/774895597.db2.gz UJMZDTZLWLUQMN-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099330641 774950011 /nfs/dbraw/zinc/95/00/11/774950011.db2.gz BMERLQAIJBBVDB-JHJVBQTASA-N 2 1 319.371 1.493 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899693 775400601 /nfs/dbraw/zinc/40/06/01/775400601.db2.gz WYRPABZUPKMDFJ-CABCVRRESA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899693 775400607 /nfs/dbraw/zinc/40/06/07/775400607.db2.gz WYRPABZUPKMDFJ-CABCVRRESA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899693 775400614 /nfs/dbraw/zinc/40/06/14/775400614.db2.gz WYRPABZUPKMDFJ-CABCVRRESA-N 2 1 311.470 1.234 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001100039959 775605095 /nfs/dbraw/zinc/60/50/95/775605095.db2.gz YZVPMHDNBUUAMZ-IRXDYDNUSA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100039959 775605102 /nfs/dbraw/zinc/60/51/02/775605102.db2.gz YZVPMHDNBUUAMZ-IRXDYDNUSA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100039959 775605108 /nfs/dbraw/zinc/60/51/08/775605108.db2.gz YZVPMHDNBUUAMZ-IRXDYDNUSA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503230 775940241 /nfs/dbraw/zinc/94/02/41/775940241.db2.gz CMHDVNAFVOSOHE-IEBWSBKVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257260 777016195 /nfs/dbraw/zinc/01/61/95/777016195.db2.gz MMPRUXCVNUFHIN-VYDXJSESSA-N 2 1 311.445 1.633 20 30 DDEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001176358479 778133696 /nfs/dbraw/zinc/13/36/96/778133696.db2.gz DKNMFHZVFKCIFV-AEFFLSMTSA-N 2 1 305.466 1.760 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176590552 778176913 /nfs/dbraw/zinc/17/69/13/778176913.db2.gz ATKZYPBIAAZGFW-HNNXBMFYSA-N 2 1 320.437 1.106 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060218 778609138 /nfs/dbraw/zinc/60/91/38/778609138.db2.gz AXXZDUJTQYIIDV-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060218 778609141 /nfs/dbraw/zinc/60/91/41/778609141.db2.gz AXXZDUJTQYIIDV-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060218 778609147 /nfs/dbraw/zinc/60/91/47/778609147.db2.gz AXXZDUJTQYIIDV-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001103444693 778870179 /nfs/dbraw/zinc/87/01/79/778870179.db2.gz FUSQGAHPXYITGJ-ZACQAIPSSA-N 2 1 323.481 1.051 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001178484353 779069112 /nfs/dbraw/zinc/06/91/12/779069112.db2.gz TWLGGQBHWFRTFI-IAGOWNOFSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112071044 779612876 /nfs/dbraw/zinc/61/28/76/779612876.db2.gz OWQKONBYIOBZOC-UPJWGTAASA-N 2 1 317.355 1.083 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546397 780227984 /nfs/dbraw/zinc/22/79/84/780227984.db2.gz KKAFTMAYICFKJR-HOTGVXAUSA-N 2 1 321.465 1.444 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598257 780257917 /nfs/dbraw/zinc/25/79/17/780257917.db2.gz LMCJNMYSUGXWNG-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170094 781796770 /nfs/dbraw/zinc/79/67/70/781796770.db2.gz GVXAWZJUZXQOFR-MRXNPFEDSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170094 781796776 /nfs/dbraw/zinc/79/67/76/781796776.db2.gz GVXAWZJUZXQOFR-MRXNPFEDSA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001267278249 837728331 /nfs/dbraw/zinc/72/83/31/837728331.db2.gz HGSMJIAREGZBJD-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001267278249 837728337 /nfs/dbraw/zinc/72/83/37/837728337.db2.gz HGSMJIAREGZBJD-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417711 836226210 /nfs/dbraw/zinc/22/62/10/836226210.db2.gz FKTYPDOZXJJXIP-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266417711 836226222 /nfs/dbraw/zinc/22/62/22/836226222.db2.gz FKTYPDOZXJJXIP-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266659899 836609005 /nfs/dbraw/zinc/60/90/05/836609005.db2.gz RXIXOJRJSYOWKD-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001266793840 836844550 /nfs/dbraw/zinc/84/45/50/836844550.db2.gz UBHXWVNHHNSMOK-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001266793840 836844557 /nfs/dbraw/zinc/84/45/57/836844557.db2.gz UBHXWVNHHNSMOK-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001266985632 837151135 /nfs/dbraw/zinc/15/11/35/837151135.db2.gz NTMSOHCMVXWJAB-AEFFLSMTSA-N 2 1 313.445 1.474 20 30 DDEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267059509 837268138 /nfs/dbraw/zinc/26/81/38/837268138.db2.gz YNCRLEFNCWWCIT-MRXNPFEDSA-N 2 1 323.481 1.052 20 30 DDEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001267356282 837899951 /nfs/dbraw/zinc/89/99/51/837899951.db2.gz CLBBWUJPULRYDS-SJORKVTESA-N 2 1 317.433 1.340 20 30 DDEDMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001267356282 837899966 /nfs/dbraw/zinc/89/99/66/837899966.db2.gz CLBBWUJPULRYDS-SJORKVTESA-N 2 1 317.433 1.340 20 30 DDEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001267486977 838164862 /nfs/dbraw/zinc/16/48/62/838164862.db2.gz PAITZSMHJXOIPT-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001267486977 838164870 /nfs/dbraw/zinc/16/48/70/838164870.db2.gz PAITZSMHJXOIPT-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267535722 838263964 /nfs/dbraw/zinc/26/39/64/838263964.db2.gz DSJFXHBMBVSNBY-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267535722 838263969 /nfs/dbraw/zinc/26/39/69/838263969.db2.gz DSJFXHBMBVSNBY-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267535722 838263974 /nfs/dbraw/zinc/26/39/74/838263974.db2.gz DSJFXHBMBVSNBY-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001267543881 838278318 /nfs/dbraw/zinc/27/83/18/838278318.db2.gz GYJVPQMQKKWQCK-HOTGVXAUSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267568628 838323071 /nfs/dbraw/zinc/32/30/71/838323071.db2.gz KUCDZAJIPNZTNS-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267605014 838425313 /nfs/dbraw/zinc/42/53/13/838425313.db2.gz JURASZUVGCOSTF-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267605014 838425317 /nfs/dbraw/zinc/42/53/17/838425317.db2.gz JURASZUVGCOSTF-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267605014 838425321 /nfs/dbraw/zinc/42/53/21/838425321.db2.gz JURASZUVGCOSTF-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267724448 838740906 /nfs/dbraw/zinc/74/09/06/838740906.db2.gz VHPQCHZPEJGSKF-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001272033315 844372793 /nfs/dbraw/zinc/37/27/93/844372793.db2.gz KPPLXQXKCJMHFA-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001272033315 844372802 /nfs/dbraw/zinc/37/28/02/844372802.db2.gz KPPLXQXKCJMHFA-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001272033315 844372812 /nfs/dbraw/zinc/37/28/12/844372812.db2.gz KPPLXQXKCJMHFA-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267817744 839023557 /nfs/dbraw/zinc/02/35/57/839023557.db2.gz RIHCVKUBLRENMJ-HUUCEWRRSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001267857228 839085684 /nfs/dbraw/zinc/08/56/84/839085684.db2.gz WPRGSDCMXJRISK-QGZVFWFLSA-N 2 1 318.421 1.248 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CCCC1 ZINC001268034271 839503211 /nfs/dbraw/zinc/50/32/11/839503211.db2.gz FHTAKLBZOMUXFF-INIZCTEOSA-N 2 1 301.434 1.126 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)CCCC1 ZINC001268034271 839503217 /nfs/dbraw/zinc/50/32/17/839503217.db2.gz FHTAKLBZOMUXFF-INIZCTEOSA-N 2 1 301.434 1.126 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001268065179 839638284 /nfs/dbraw/zinc/63/82/84/839638284.db2.gz XCFJJWQBFFRHSC-GJZGRUSLSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CC[NH+](C)CCC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001268201095 839834000 /nfs/dbraw/zinc/83/40/00/839834000.db2.gz FVSLCSSYRBBPNV-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001268201095 839834013 /nfs/dbraw/zinc/83/40/13/839834013.db2.gz FVSLCSSYRBBPNV-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP C#CC[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001268201095 839834015 /nfs/dbraw/zinc/83/40/15/839834015.db2.gz FVSLCSSYRBBPNV-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268439345 840190227 /nfs/dbraw/zinc/19/02/27/840190227.db2.gz NSXFJTZBYMJFLO-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001272085391 844574206 /nfs/dbraw/zinc/57/42/06/844574206.db2.gz NOKSTYBLEXCTQC-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001269331932 841528846 /nfs/dbraw/zinc/52/88/46/841528846.db2.gz PMFUIIHDNAQMHY-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001269331932 841528859 /nfs/dbraw/zinc/52/88/59/841528859.db2.gz PMFUIIHDNAQMHY-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP C=CCOCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001269718825 841970639 /nfs/dbraw/zinc/97/06/39/841970639.db2.gz DSBIHNNDERRSFJ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001270194271 842371299 /nfs/dbraw/zinc/37/12/99/842371299.db2.gz PYPCJCJIPVXVES-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001271376029 843532852 /nfs/dbraw/zinc/53/28/52/843532852.db2.gz YDZWPXJFICMQPR-UHFFFAOYSA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001271678336 843777662 /nfs/dbraw/zinc/77/76/62/843777662.db2.gz QMELJMOYBCXOPN-IRXDYDNUSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(C)(C)C[NH+](C)C ZINC001272870440 847574034 /nfs/dbraw/zinc/57/40/34/847574034.db2.gz PKAFYWAXUBVHQT-SFHVURJKSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(C)(C)C[NH+](C)C ZINC001272870440 847574038 /nfs/dbraw/zinc/57/40/38/847574038.db2.gz PKAFYWAXUBVHQT-SFHVURJKSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203240 848092783 /nfs/dbraw/zinc/09/27/83/848092783.db2.gz CNMMQKMDKNRIPD-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145027 848569674 /nfs/dbraw/zinc/56/96/74/848569674.db2.gz UJZYEFNAEDQOGJ-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273145027 848569682 /nfs/dbraw/zinc/56/96/82/848569682.db2.gz UJZYEFNAEDQOGJ-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273145027 848569685 /nfs/dbraw/zinc/56/96/85/848569685.db2.gz UJZYEFNAEDQOGJ-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001327171325 861940944 /nfs/dbraw/zinc/94/09/44/861940944.db2.gz CJZDNCVNTUEIPE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001327171325 861940951 /nfs/dbraw/zinc/94/09/51/861940951.db2.gz CJZDNCVNTUEIPE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001327171325 861940955 /nfs/dbraw/zinc/94/09/55/861940955.db2.gz CJZDNCVNTUEIPE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001327171325 861940959 /nfs/dbraw/zinc/94/09/59/861940959.db2.gz CJZDNCVNTUEIPE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881768 861960735 /nfs/dbraw/zinc/96/07/35/861960735.db2.gz RLZYGGWLKLYMGS-HOTGVXAUSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001149890499 861964611 /nfs/dbraw/zinc/96/46/11/861964611.db2.gz RIVDZMWHJUIULY-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001149890499 861964618 /nfs/dbraw/zinc/96/46/18/861964618.db2.gz RIVDZMWHJUIULY-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001149890499 861964625 /nfs/dbraw/zinc/96/46/25/861964625.db2.gz RIVDZMWHJUIULY-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)CC[N@@H+](C)CC)CCO2 ZINC001327336579 862073973 /nfs/dbraw/zinc/07/39/73/862073973.db2.gz YLUMMWHDIRYVLN-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001327336579 862073982 /nfs/dbraw/zinc/07/39/82/862073982.db2.gz YLUMMWHDIRYVLN-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351425 862191528 /nfs/dbraw/zinc/19/15/28/862191528.db2.gz YOCDNWNWIWAGTC-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001273599725 851133932 /nfs/dbraw/zinc/13/39/32/851133932.db2.gz UYZUNKIGQHWWMU-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150393867 862216904 /nfs/dbraw/zinc/21/69/04/862216904.db2.gz DZYAOZWOOMNMIZ-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001150393867 862216916 /nfs/dbraw/zinc/21/69/16/862216916.db2.gz DZYAOZWOOMNMIZ-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001275121940 852822705 /nfs/dbraw/zinc/82/27/05/852822705.db2.gz SVQOADYFQRWDAC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001275121940 852822710 /nfs/dbraw/zinc/82/27/10/852822710.db2.gz SVQOADYFQRWDAC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001275121940 852822716 /nfs/dbraw/zinc/82/27/16/852822716.db2.gz SVQOADYFQRWDAC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCn1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cn1 ZINC001275380963 853041761 /nfs/dbraw/zinc/04/17/61/853041761.db2.gz ADXNPRIAKMIIFG-CALCHBBNSA-N 2 1 303.454 1.279 20 30 DDEDMP C=CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cn1 ZINC001275380963 853041766 /nfs/dbraw/zinc/04/17/66/853041766.db2.gz ADXNPRIAKMIIFG-CALCHBBNSA-N 2 1 303.454 1.279 20 30 DDEDMP N#Cc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)n1 ZINC001275605151 853424933 /nfs/dbraw/zinc/42/49/33/853424933.db2.gz DZOFKUJORQCMLT-UHFFFAOYSA-N 2 1 322.416 1.774 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928068 853962750 /nfs/dbraw/zinc/96/27/50/853962750.db2.gz DJGXWRZBCWQKTR-DZGCQCFKSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928068 853962756 /nfs/dbraw/zinc/96/27/56/853962756.db2.gz DJGXWRZBCWQKTR-DZGCQCFKSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001156475345 863081164 /nfs/dbraw/zinc/08/11/64/863081164.db2.gz AJCUGDCPDNLDRU-MRXNPFEDSA-N 2 1 313.486 1.748 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CC#N ZINC001276242122 855032854 /nfs/dbraw/zinc/03/28/54/855032854.db2.gz GWRZGNVVLWLTCE-KDURUIRLSA-N 2 1 312.461 1.963 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001328278040 862852535 /nfs/dbraw/zinc/85/25/35/862852535.db2.gz GSWNRONRIQKCMH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001328278040 862852552 /nfs/dbraw/zinc/85/25/52/862852552.db2.gz GSWNRONRIQKCMH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4nccn43)C2)C1 ZINC001072813210 857741572 /nfs/dbraw/zinc/74/15/72/857741572.db2.gz IPORDVAELRSBHX-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813210 857741579 /nfs/dbraw/zinc/74/15/79/857741579.db2.gz IPORDVAELRSBHX-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813210 857741583 /nfs/dbraw/zinc/74/15/83/857741583.db2.gz IPORDVAELRSBHX-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=C)C)C2 ZINC001072822335 857758972 /nfs/dbraw/zinc/75/89/72/857758972.db2.gz BPOUPYNQDYHHBC-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=C)C)C2 ZINC001072822335 857758975 /nfs/dbraw/zinc/75/89/75/857758975.db2.gz BPOUPYNQDYHHBC-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=C)C)C2 ZINC001072822335 857758977 /nfs/dbraw/zinc/75/89/77/857758977.db2.gz BPOUPYNQDYHHBC-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=C)C)C2 ZINC001072822335 857758979 /nfs/dbraw/zinc/75/89/79/857758979.db2.gz BPOUPYNQDYHHBC-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCC)C3)CC1 ZINC001073457493 858354133 /nfs/dbraw/zinc/35/41/33/858354133.db2.gz SMMDXWHWSSVDAB-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001224575974 881456789 /nfs/dbraw/zinc/45/67/89/881456789.db2.gz GBBSLOHBNNHYAY-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001224884179 881573533 /nfs/dbraw/zinc/57/35/33/881573533.db2.gz PNHMELVNGHRFAT-UHFFFAOYSA-N 2 1 307.482 1.960 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001328738600 863186492 /nfs/dbraw/zinc/18/64/92/863186492.db2.gz WFEXUIGEDSABKR-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001156663734 863245407 /nfs/dbraw/zinc/24/54/07/863245407.db2.gz DMLBCITUJQUPJI-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001156663734 863245421 /nfs/dbraw/zinc/24/54/21/863245421.db2.gz DMLBCITUJQUPJI-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001156663734 863245442 /nfs/dbraw/zinc/24/54/42/863245442.db2.gz DMLBCITUJQUPJI-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)OC)CC1 ZINC001157092385 863567226 /nfs/dbraw/zinc/56/72/26/863567226.db2.gz VPLIQELHPZFSSP-HZPDHXFCSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158541936 864715205 /nfs/dbraw/zinc/71/52/05/864715205.db2.gz YUMRWVADBDFVGP-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001158541936 864715212 /nfs/dbraw/zinc/71/52/12/864715212.db2.gz YUMRWVADBDFVGP-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332900231 866233504 /nfs/dbraw/zinc/23/35/04/866233504.db2.gz SUXVMNKZKVWFAR-HUUCEWRRSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332900231 866233521 /nfs/dbraw/zinc/23/35/21/866233521.db2.gz SUXVMNKZKVWFAR-HUUCEWRRSA-N 2 1 311.470 1.404 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001319851573 866341061 /nfs/dbraw/zinc/34/10/61/866341061.db2.gz WTJMGZJZTLIOHT-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP Cc1[nH+]c(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)ccc1CC#N ZINC001161279856 866487803 /nfs/dbraw/zinc/48/78/03/866487803.db2.gz FTRUVHXKMMGMNG-SHTZXODSSA-N 2 1 300.406 1.931 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171715 867313687 /nfs/dbraw/zinc/31/36/87/867313687.db2.gz VGRUMNRTLGXSDB-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324727064 867482722 /nfs/dbraw/zinc/48/27/22/867482722.db2.gz DYKNCJYLEFXVJK-WMZOPIPTSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001325661999 868226912 /nfs/dbraw/zinc/22/69/12/868226912.db2.gz KGNXKXZYOLUVQJ-QAQDUYKDSA-N 2 1 316.449 1.727 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165455872 869609687 /nfs/dbraw/zinc/60/96/87/869609687.db2.gz LWJHMMDUCHPMLE-INIZCTEOSA-N 2 1 305.466 1.474 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165727562 869692169 /nfs/dbraw/zinc/69/21/69/869692169.db2.gz DHMZFZHLPXSJRI-IRXDYDNUSA-N 2 1 317.477 1.903 20 30 DDEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001316999451 870102520 /nfs/dbraw/zinc/10/25/20/870102520.db2.gz NIIMJBYHTFFVPL-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001316999451 870102526 /nfs/dbraw/zinc/10/25/26/870102526.db2.gz NIIMJBYHTFFVPL-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001166709207 870180874 /nfs/dbraw/zinc/18/08/74/870180874.db2.gz YJMYBKFWIKLVPU-PBHICJAKSA-N 2 1 314.433 1.352 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317160651 870387512 /nfs/dbraw/zinc/38/75/12/870387512.db2.gz ZGDQRLOKDFREFU-MRXNPFEDSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001317223671 870496206 /nfs/dbraw/zinc/49/62/06/870496206.db2.gz WJCUZQQJQAFXSJ-UHFFFAOYSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001317223671 870496218 /nfs/dbraw/zinc/49/62/18/870496218.db2.gz WJCUZQQJQAFXSJ-UHFFFAOYSA-N 2 1 313.445 1.769 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283873 871485004 /nfs/dbraw/zinc/48/50/04/871485004.db2.gz JERJXWRMGQJJGO-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001226615837 882540540 /nfs/dbraw/zinc/54/05/40/882540540.db2.gz ZUPNVZYFLVQYEN-ZACQAIPSSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCC[NH+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001316746526 871807902 /nfs/dbraw/zinc/80/79/02/871807902.db2.gz RACFMYUELJXJAK-IRXDYDNUSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001316746526 871807918 /nfs/dbraw/zinc/80/79/18/871807918.db2.gz RACFMYUELJXJAK-IRXDYDNUSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001316746526 871807936 /nfs/dbraw/zinc/80/79/36/871807936.db2.gz RACFMYUELJXJAK-IRXDYDNUSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001318493097 872112508 /nfs/dbraw/zinc/11/25/08/872112508.db2.gz WNYJOLKBRDTJLZ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001318493097 872112514 /nfs/dbraw/zinc/11/25/14/872112514.db2.gz WNYJOLKBRDTJLZ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318493097 872112523 /nfs/dbraw/zinc/11/25/23/872112523.db2.gz WNYJOLKBRDTJLZ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281158 872180138 /nfs/dbraw/zinc/18/01/38/872180138.db2.gz CYMSSBZQBFDSPM-DOTOQJQBSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001206603566 872470002 /nfs/dbraw/zinc/47/00/02/872470002.db2.gz QKHAEIWPQFIIDQ-UHFFFAOYSA-N 2 1 316.449 1.823 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@H+]3C2)C1 ZINC001347317084 874098752 /nfs/dbraw/zinc/09/87/52/874098752.db2.gz NWEYSNOMPZDELZ-YVSFHVDLSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)C1 ZINC001347317084 874098767 /nfs/dbraw/zinc/09/87/67/874098767.db2.gz NWEYSNOMPZDELZ-YVSFHVDLSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[NH+]3C2)C1 ZINC001347317084 874098784 /nfs/dbraw/zinc/09/87/84/874098784.db2.gz NWEYSNOMPZDELZ-YVSFHVDLSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[NH+]3C2)C1 ZINC001347317084 874098800 /nfs/dbraw/zinc/09/88/00/874098800.db2.gz NWEYSNOMPZDELZ-YVSFHVDLSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC(OC(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1 ZINC001347391014 874122846 /nfs/dbraw/zinc/12/28/46/874122846.db2.gz FKBZJUXYKWYJHS-UHFFFAOYSA-N 2 1 324.384 1.830 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001211046197 875638221 /nfs/dbraw/zinc/63/82/21/875638221.db2.gz JRCIDWLDDVDYQQ-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001211377291 875780730 /nfs/dbraw/zinc/78/07/30/875780730.db2.gz WETANMJTWZXGCK-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001227464917 883031754 /nfs/dbraw/zinc/03/17/54/883031754.db2.gz VOSIPCARYCGHMV-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001353517421 877394515 /nfs/dbraw/zinc/39/45/15/877394515.db2.gz GHKJDVBBAUESOY-VQHPVUNQSA-N 2 1 323.481 1.770 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220572628 879106195 /nfs/dbraw/zinc/10/61/95/879106195.db2.gz DFQBCOLNWAVVQN-OWCLPIDISA-N 2 1 311.470 1.090 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001380287501 879238422 /nfs/dbraw/zinc/23/84/22/879238422.db2.gz ZUGPHVQLGJSVMO-AWEZNQCLSA-N 2 1 315.845 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221714046 880018215 /nfs/dbraw/zinc/01/82/15/880018215.db2.gz LCXFURBUKYZBLC-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818121 880102954 /nfs/dbraw/zinc/10/29/54/880102954.db2.gz GYUIBFXVEMKRCG-HZPDHXFCSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818121 880102968 /nfs/dbraw/zinc/10/29/68/880102968.db2.gz GYUIBFXVEMKRCG-HZPDHXFCSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818121 880102982 /nfs/dbraw/zinc/10/29/82/880102982.db2.gz GYUIBFXVEMKRCG-HZPDHXFCSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818121 880102992 /nfs/dbraw/zinc/10/29/92/880102992.db2.gz GYUIBFXVEMKRCG-HZPDHXFCSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811965 880104093 /nfs/dbraw/zinc/10/40/93/880104093.db2.gz RDCBDGCMHBSBKX-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811965 880104098 /nfs/dbraw/zinc/10/40/98/880104098.db2.gz RDCBDGCMHBSBKX-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489537 880982894 /nfs/dbraw/zinc/98/28/94/880982894.db2.gz RCOCFEGYSWGEGN-ZACQAIPSSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916539 881147494 /nfs/dbraw/zinc/14/74/94/881147494.db2.gz MLDBVCHJBKLGBJ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001277473537 885077992 /nfs/dbraw/zinc/07/79/92/885077992.db2.gz FWPRXXNIHICEBS-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001277762382 886788955 /nfs/dbraw/zinc/78/89/55/886788955.db2.gz BLLDVWBBNBQOGT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP CCn1ccnc1C[N@H+]1CC[C@H]2C[NH+](CCC#N)C[C@H]2CC1 ZINC001277939478 888582750 /nfs/dbraw/zinc/58/27/50/888582750.db2.gz UFQWDUHJJZWIQK-IYBDPMFKSA-N 2 1 301.438 1.960 20 30 DDEDMP CCn1ccnc1C[N@@H+]1CC[C@H]2C[NH+](CCC#N)C[C@H]2CC1 ZINC001277939478 888582763 /nfs/dbraw/zinc/58/27/63/888582763.db2.gz UFQWDUHJJZWIQK-IYBDPMFKSA-N 2 1 301.438 1.960 20 30 DDEDMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@@H+](CCC#N)C[C@H]2CC1 ZINC001277939478 888582772 /nfs/dbraw/zinc/58/27/72/888582772.db2.gz UFQWDUHJJZWIQK-IYBDPMFKSA-N 2 1 301.438 1.960 20 30 DDEDMP CCn1ccnc1C[NH+]1CC[C@H]2C[N@H+](CCC#N)C[C@H]2CC1 ZINC001277939478 888582779 /nfs/dbraw/zinc/58/27/79/888582779.db2.gz UFQWDUHJJZWIQK-IYBDPMFKSA-N 2 1 301.438 1.960 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277939819 888587978 /nfs/dbraw/zinc/58/79/78/888587978.db2.gz ABDVXXLQDWYUOJ-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)C1=O ZINC001235495729 888680753 /nfs/dbraw/zinc/68/07/53/888680753.db2.gz YWGANTHTJVDFTK-WMLDXEAASA-N 2 1 307.438 1.211 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)C1=O ZINC001235495729 888680761 /nfs/dbraw/zinc/68/07/61/888680761.db2.gz YWGANTHTJVDFTK-WMLDXEAASA-N 2 1 307.438 1.211 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)Cc1cccnc1 ZINC001246304202 892528448 /nfs/dbraw/zinc/52/84/48/892528448.db2.gz LCWJXPUFHMWSKH-HOCLYGCPSA-N 2 1 305.422 1.829 20 30 DDEDMP N#C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@H]3C2)CCN1 ZINC001246687315 892785649 /nfs/dbraw/zinc/78/56/49/892785649.db2.gz WGLQCTOWCCWKJM-VNTMZGSJSA-N 2 1 324.472 1.884 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001366306984 893109907 /nfs/dbraw/zinc/10/99/07/893109907.db2.gz CGXHTDDPDMCERN-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cc(F)ccc1C#N ZINC001366306984 893109916 /nfs/dbraw/zinc/10/99/16/893109916.db2.gz CGXHTDDPDMCERN-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001278485642 893189258 /nfs/dbraw/zinc/18/92/58/893189258.db2.gz BIRMUHMHBGCBKE-IXDOHACOSA-N 2 1 314.433 1.432 20 30 DDEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278526297 894080094 /nfs/dbraw/zinc/08/00/94/894080094.db2.gz HUVKCTXEOAJOEP-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001278526297 894080111 /nfs/dbraw/zinc/08/01/11/894080111.db2.gz HUVKCTXEOAJOEP-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001278653953 895040181 /nfs/dbraw/zinc/04/01/81/895040181.db2.gz QCLZJQYXHKWPMO-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001278653953 895040198 /nfs/dbraw/zinc/04/01/98/895040198.db2.gz QCLZJQYXHKWPMO-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278653953 895040207 /nfs/dbraw/zinc/04/02/07/895040207.db2.gz QCLZJQYXHKWPMO-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278653953 895040225 /nfs/dbraw/zinc/04/02/25/895040225.db2.gz QCLZJQYXHKWPMO-FUHWJXTLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001252462653 895173130 /nfs/dbraw/zinc/17/31/30/895173130.db2.gz ISJMVKDDSBLGQH-QGZVFWFLSA-N 2 1 308.466 1.890 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001252462653 895173122 /nfs/dbraw/zinc/17/31/22/895173122.db2.gz ISJMVKDDSBLGQH-QGZVFWFLSA-N 2 1 308.466 1.890 20 30 DDEDMP C=C[C@@](C)(O)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001252573615 895287675 /nfs/dbraw/zinc/28/76/75/895287675.db2.gz HJWFHEQURZXFPX-GOSISDBHSA-N 2 1 303.450 1.461 20 30 DDEDMP C=C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001253602436 895924395 /nfs/dbraw/zinc/92/43/95/895924395.db2.gz IOSHVELTQCNCTL-SFHVURJKSA-N 2 1 303.450 1.461 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001367289453 896358122 /nfs/dbraw/zinc/35/81/22/896358122.db2.gz PMHJFZGLCOOMMI-JSGCOSHPSA-N 2 1 301.862 1.955 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367415447 896711785 /nfs/dbraw/zinc/71/17/85/896711785.db2.gz GUFOGKKONMCNPY-ZIAGYGMSSA-N 2 1 301.862 1.954 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001255494465 896973469 /nfs/dbraw/zinc/97/34/69/896973469.db2.gz GYALVLJVQYCSEE-SFHVURJKSA-N 2 1 306.498 1.372 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367725179 897590927 /nfs/dbraw/zinc/59/09/27/897590927.db2.gz LVRHYFMHCSYTJW-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP C#CCC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001265161253 901648610 /nfs/dbraw/zinc/64/86/10/901648610.db2.gz HDBJLORBWCQDNS-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC=C)C1 ZINC001265391053 901961136 /nfs/dbraw/zinc/96/11/36/901961136.db2.gz SMUSTQRIDNFFSK-SJORKVTESA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC=C)C1 ZINC001265391053 901961141 /nfs/dbraw/zinc/96/11/41/901961141.db2.gz SMUSTQRIDNFFSK-SJORKVTESA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC=C)C1 ZINC001265391053 901961150 /nfs/dbraw/zinc/96/11/50/901961150.db2.gz SMUSTQRIDNFFSK-SJORKVTESA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC=C)C1 ZINC001265391053 901961161 /nfs/dbraw/zinc/96/11/61/901961161.db2.gz SMUSTQRIDNFFSK-SJORKVTESA-N 2 1 303.450 1.440 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523200 902093553 /nfs/dbraw/zinc/09/35/53/902093553.db2.gz IQLIUSYMGBCIDR-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266009124 902746417 /nfs/dbraw/zinc/74/64/17/902746417.db2.gz NQKNXZJJZGPKQT-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCOCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266195630 903090189 /nfs/dbraw/zinc/09/01/89/903090189.db2.gz XITPNLNRBCSGEX-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001392114390 903309851 /nfs/dbraw/zinc/30/98/51/903309851.db2.gz FHOFCWWFNCCMME-ZDUSSCGKSA-N 2 1 322.478 1.898 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001279588762 903341494 /nfs/dbraw/zinc/34/14/94/903341494.db2.gz UPOCHQMCYMDNHV-GVDBMIGSSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001392226556 903590124 /nfs/dbraw/zinc/59/01/24/903590124.db2.gz AFKHCUJVYMXVKY-CQSZACIVSA-N 2 1 301.862 1.954 20 30 DDEDMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1 ZINC001280333368 903597349 /nfs/dbraw/zinc/59/73/49/903597349.db2.gz IGAZUHRWCCFPLL-UHFFFAOYSA-N 2 1 313.445 1.710 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCC1 ZINC001280547550 903784208 /nfs/dbraw/zinc/78/42/08/903784208.db2.gz HZAQJFRSADUVJR-UHFFFAOYSA-N 2 1 301.434 1.933 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCC1 ZINC001280547550 903784220 /nfs/dbraw/zinc/78/42/20/903784220.db2.gz HZAQJFRSADUVJR-UHFFFAOYSA-N 2 1 301.434 1.933 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316605185 903879588 /nfs/dbraw/zinc/87/95/88/903879588.db2.gz WWFQITRGAIRWLF-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001316605185 903879599 /nfs/dbraw/zinc/87/95/99/903879599.db2.gz WWFQITRGAIRWLF-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001282568830 905873285 /nfs/dbraw/zinc/87/32/85/905873285.db2.gz PJJJJYGWEZANRE-DLBZAZTESA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001283077794 906583554 /nfs/dbraw/zinc/58/35/54/906583554.db2.gz HYWULPSXQLMYQZ-ULQDDVLXSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001284087942 908456464 /nfs/dbraw/zinc/45/64/64/908456464.db2.gz SOLPKOLUVMXIDP-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001375552423 916289467 /nfs/dbraw/zinc/28/94/67/916289467.db2.gz JDKUPYVRGZUAMT-UHFFFAOYSA-N 2 1 318.259 1.474 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001375552423 916289482 /nfs/dbraw/zinc/28/94/82/916289482.db2.gz JDKUPYVRGZUAMT-UHFFFAOYSA-N 2 1 318.259 1.474 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000068360698 353106518 /nfs/dbraw/zinc/10/65/18/353106518.db2.gz PGAJDMAGATYOQA-CQSZACIVSA-N 2 1 302.422 1.289 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762521 354282210 /nfs/dbraw/zinc/28/22/10/354282210.db2.gz FSAMEQKAODHEBV-HZPDHXFCSA-N 2 1 320.481 1.991 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762521 354282212 /nfs/dbraw/zinc/28/22/12/354282212.db2.gz FSAMEQKAODHEBV-HZPDHXFCSA-N 2 1 320.481 1.991 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441412 356216427 /nfs/dbraw/zinc/21/64/27/356216427.db2.gz RPCOCCMXMAQPLT-XHSDSOJGSA-N 2 1 308.470 1.882 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1nc2ccccn2c1C#N ZINC000596423867 356874379 /nfs/dbraw/zinc/87/43/79/356874379.db2.gz DJPXJEQKGIZCAP-UHFFFAOYSA-N 2 1 300.410 1.501 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ccccn2c1C#N ZINC000596423867 356874383 /nfs/dbraw/zinc/87/43/83/356874383.db2.gz DJPXJEQKGIZCAP-UHFFFAOYSA-N 2 1 300.410 1.501 20 30 DDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600730760 358299217 /nfs/dbraw/zinc/29/92/17/358299217.db2.gz RTDOCZXNMDRSKZ-MRXNPFEDSA-N 2 1 309.454 1.520 20 30 DDEDMP C[N@@H+](CCCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000600735508 358301939 /nfs/dbraw/zinc/30/19/39/358301939.db2.gz KCAZLJNWZPJNJG-INIZCTEOSA-N 2 1 309.454 1.522 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994146 360595339 /nfs/dbraw/zinc/59/53/39/360595339.db2.gz UIQPXJBYVQGKQH-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994146 360595344 /nfs/dbraw/zinc/59/53/44/360595344.db2.gz UIQPXJBYVQGKQH-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000336875117 249280904 /nfs/dbraw/zinc/28/09/04/249280904.db2.gz AXLRAAXUZVODNX-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000336875117 249280906 /nfs/dbraw/zinc/28/09/06/249280906.db2.gz AXLRAAXUZVODNX-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000336875117 249280908 /nfs/dbraw/zinc/28/09/08/249280908.db2.gz AXLRAAXUZVODNX-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000104180108 407348240 /nfs/dbraw/zinc/34/82/40/407348240.db2.gz ZWPZURVSGPDTIK-HNNXBMFYSA-N 2 1 318.465 1.968 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000104180108 407348242 /nfs/dbraw/zinc/34/82/42/407348242.db2.gz ZWPZURVSGPDTIK-HNNXBMFYSA-N 2 1 318.465 1.968 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000114198727 407552041 /nfs/dbraw/zinc/55/20/41/407552041.db2.gz XILYHPYWJGPBTH-HNNXBMFYSA-N 2 1 300.406 1.770 20 30 DDEDMP CC#CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000266967143 407695670 /nfs/dbraw/zinc/69/56/70/407695670.db2.gz YMSPHKZBBUTKDJ-UHFFFAOYSA-N 2 1 301.434 1.772 20 30 DDEDMP C[NH+]=C(NCc1ncccc1C)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000152625673 407663163 /nfs/dbraw/zinc/66/31/63/407663163.db2.gz ZRKRLSOMLZNZQE-KGLIPLIRSA-N 2 1 301.438 1.680 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000171680241 407738976 /nfs/dbraw/zinc/73/89/76/407738976.db2.gz CDCLYSZYVPWOSX-HNNXBMFYSA-N 2 1 308.470 1.810 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc(C)c(C)s1 ZINC000268633904 408128795 /nfs/dbraw/zinc/12/87/95/408128795.db2.gz YHSCXFQHKOBHKB-ZDUSSCGKSA-N 2 1 309.483 1.691 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)c(F)c1 ZINC000192136093 163217689 /nfs/dbraw/zinc/21/76/89/163217689.db2.gz RFEUYZUDHUAEJX-UHFFFAOYSA-N 2 1 304.413 1.767 20 30 DDEDMP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C#N)o3)CC2)CC1 ZINC000289451328 409275053 /nfs/dbraw/zinc/27/50/53/409275053.db2.gz NDOSJQGHWBPPQW-UHFFFAOYSA-N 2 1 302.422 1.611 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)c1cc(OC)ccc1OC ZINC000328257433 409930549 /nfs/dbraw/zinc/93/05/49/409930549.db2.gz KPDINAMYLHCTTI-MRXNPFEDSA-N 2 1 306.406 1.282 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)c1cc(OC)ccc1OC ZINC000328257433 409930555 /nfs/dbraw/zinc/93/05/55/409930555.db2.gz KPDINAMYLHCTTI-MRXNPFEDSA-N 2 1 306.406 1.282 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346090 422968259 /nfs/dbraw/zinc/96/82/59/422968259.db2.gz TYEPUQMJHVHRON-YESZJQIVSA-N 2 1 321.465 1.405 20 30 DDEDMP C=CCNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190527837 222082873 /nfs/dbraw/zinc/08/28/73/222082873.db2.gz AHWFUJCHTUXCGF-INIZCTEOSA-N 2 1 302.422 1.368 20 30 DDEDMP C#CC[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000192234149 222123304 /nfs/dbraw/zinc/12/33/04/222123304.db2.gz AKPMOMXOIOWCAM-INIZCTEOSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000192234149 222123307 /nfs/dbraw/zinc/12/33/07/222123307.db2.gz AKPMOMXOIOWCAM-INIZCTEOSA-N 2 1 313.445 1.721 20 30 DDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261992243 222267589 /nfs/dbraw/zinc/26/75/89/222267589.db2.gz RMZJDQMRYCGSGP-HUUCEWRRSA-N 2 1 317.437 1.204 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264124081 222322738 /nfs/dbraw/zinc/32/27/38/222322738.db2.gz RTSWQPQMDXTPKE-OAHLLOKOSA-N 2 1 317.481 1.637 20 30 DDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]CC)N2CC[C@@]3(CCOC3)C2)C1 ZINC000262015279 222270815 /nfs/dbraw/zinc/27/08/15/222270815.db2.gz XOTKOFGHIVZHOM-SJLPKXTDSA-N 2 1 322.497 1.796 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCOc2ccccc21 ZINC000262472502 222282743 /nfs/dbraw/zinc/28/27/43/222282743.db2.gz PDDNSJNIKPTSMC-HNNXBMFYSA-N 2 1 300.406 1.676 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CCOc2ccccc21 ZINC000262472502 222282747 /nfs/dbraw/zinc/28/27/47/222282747.db2.gz PDDNSJNIKPTSMC-HNNXBMFYSA-N 2 1 300.406 1.676 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262763421 222292509 /nfs/dbraw/zinc/29/25/09/222292509.db2.gz FAJBUUKTNSMMPV-QGZVFWFLSA-N 3 1 319.497 1.382 20 30 DDEDMP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262763421 222292512 /nfs/dbraw/zinc/29/25/12/222292512.db2.gz FAJBUUKTNSMMPV-QGZVFWFLSA-N 2 1 319.497 1.382 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262763421 222292514 /nfs/dbraw/zinc/29/25/14/222292514.db2.gz FAJBUUKTNSMMPV-QGZVFWFLSA-N 2 1 319.497 1.382 20 30 DDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1cccc(F)c1 ZINC000262786370 222294338 /nfs/dbraw/zinc/29/43/38/222294338.db2.gz MPFXZLIWFSYJTF-MRXNPFEDSA-N 2 1 321.444 1.079 20 30 DDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(NCc2ccco2)=[NH+]C)CC1 ZINC000264040862 222311103 /nfs/dbraw/zinc/31/11/03/222311103.db2.gz ISBZMUNTLORPOC-HNNXBMFYSA-N 2 1 321.469 1.218 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1COC ZINC000264069200 222313007 /nfs/dbraw/zinc/31/30/07/222313007.db2.gz CRIQOXXKJLCCOH-MRXNPFEDSA-N 2 1 304.438 1.722 20 30 DDEDMP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1C[N@@H+](C)CCN1C ZINC000267410527 222383780 /nfs/dbraw/zinc/38/37/80/222383780.db2.gz IDIOKMQNUYPHLY-MRXNPFEDSA-N 2 1 317.481 1.784 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccccc1 ZINC000267420227 222385195 /nfs/dbraw/zinc/38/51/95/222385195.db2.gz KJQNJQUGIYEERA-WBVHZDCISA-N 2 1 304.438 1.283 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369075179 418727813 /nfs/dbraw/zinc/72/78/13/418727813.db2.gz ORYJCLVYAVWOFV-HOTGVXAUSA-N 2 1 306.454 1.563 20 30 DDEDMP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000364900664 418821475 /nfs/dbraw/zinc/82/14/75/418821475.db2.gz NSXCVCWIAGCFCA-MRXNPFEDSA-N 2 1 304.438 1.864 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420973401 419394173 /nfs/dbraw/zinc/39/41/73/419394173.db2.gz CFZBOLCABQWTGS-SFHVURJKSA-N 2 1 309.498 1.806 20 30 DDEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430927017 420208292 /nfs/dbraw/zinc/20/82/92/420208292.db2.gz HMDISMHYBVJULY-UONOGXRCSA-N 2 1 307.463 1.932 20 30 DDEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430927017 420208295 /nfs/dbraw/zinc/20/82/95/420208295.db2.gz HMDISMHYBVJULY-UONOGXRCSA-N 2 1 307.463 1.932 20 30 DDEDMP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000491553557 421199398 /nfs/dbraw/zinc/19/93/98/421199398.db2.gz AUFMXDSSCGQHFI-MRXNPFEDSA-N 2 1 324.428 1.328 20 30 DDEDMP C#CCN1CCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)CC1 ZINC000491553557 421199399 /nfs/dbraw/zinc/19/93/99/421199399.db2.gz AUFMXDSSCGQHFI-MRXNPFEDSA-N 2 1 324.428 1.328 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H](CNCc2cnc3c(C#N)cnn3c2)C1 ZINC000552770969 421593696 /nfs/dbraw/zinc/59/36/96/421593696.db2.gz KOIMKESJDRNWCA-CQSZACIVSA-N 2 1 312.421 1.811 20 30 DDEDMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000552770969 421593697 /nfs/dbraw/zinc/59/36/97/421593697.db2.gz KOIMKESJDRNWCA-CQSZACIVSA-N 2 1 312.421 1.811 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000552770969 421593698 /nfs/dbraw/zinc/59/36/98/421593698.db2.gz KOIMKESJDRNWCA-CQSZACIVSA-N 2 1 312.421 1.811 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H](C)COC)CC1 ZINC000577947509 422463191 /nfs/dbraw/zinc/46/31/91/422463191.db2.gz JCSHKGNHLIJMAP-HOCLYGCPSA-N 2 1 300.443 1.029 20 30 DDEDMP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCOCC1 ZINC000262171334 303219422 /nfs/dbraw/zinc/21/94/22/303219422.db2.gz ATHXNVUDEAUHLB-ZDUSSCGKSA-N 2 1 308.451 1.532 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171711603 337088695 /nfs/dbraw/zinc/08/86/95/337088695.db2.gz CXGWPPWOHLFAER-OAHLLOKOSA-N 2 1 308.470 1.668 20 30 DDEDMP C#CCNC(=O)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000491156129 526968435 /nfs/dbraw/zinc/96/84/35/526968435.db2.gz XXDVGBWNIURNEF-UHFFFAOYSA-N 2 1 302.422 1.433 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673987 695058960 /nfs/dbraw/zinc/05/89/60/695058960.db2.gz LZLIFLNZKKRMCX-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000971673987 695058963 /nfs/dbraw/zinc/05/89/63/695058963.db2.gz LZLIFLNZKKRMCX-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000971673987 695058967 /nfs/dbraw/zinc/05/89/67/695058967.db2.gz LZLIFLNZKKRMCX-SJORKVTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722124 695718864 /nfs/dbraw/zinc/71/88/64/695718864.db2.gz CVARVHLLVNZAJC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722124 695718865 /nfs/dbraw/zinc/71/88/65/695718865.db2.gz CVARVHLLVNZAJC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722124 695718868 /nfs/dbraw/zinc/71/88/68/695718868.db2.gz CVARVHLLVNZAJC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722124 695718869 /nfs/dbraw/zinc/71/88/69/695718869.db2.gz CVARVHLLVNZAJC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977429104 696158611 /nfs/dbraw/zinc/15/86/11/696158611.db2.gz RPDWIZDYIJATPC-QGZVFWFLSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622051 696237729 /nfs/dbraw/zinc/23/77/29/696237729.db2.gz NGPMQGRBPIJPFI-KRWDZBQOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000977622051 696237731 /nfs/dbraw/zinc/23/77/31/696237731.db2.gz NGPMQGRBPIJPFI-KRWDZBQOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCCC)CC2(C)C)CC1 ZINC000977656377 696246069 /nfs/dbraw/zinc/24/60/69/696246069.db2.gz PWKLXQWIBODIHL-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC#CC)CC2(C)C)CC1 ZINC000977659722 696247663 /nfs/dbraw/zinc/24/76/63/696247663.db2.gz XMPDGGJBZBUJHF-KRWDZBQOSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC000980145317 696692056 /nfs/dbraw/zinc/69/20/56/696692056.db2.gz PNJUFOAOECPELT-BHYGNILZSA-N 2 1 322.412 1.798 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000980412579 696765983 /nfs/dbraw/zinc/76/59/83/696765983.db2.gz LAIITJKCYJOBMW-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981153396 697019678 /nfs/dbraw/zinc/01/96/78/697019678.db2.gz YUJAZKVYSNQBCP-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153396 697019680 /nfs/dbraw/zinc/01/96/80/697019680.db2.gz YUJAZKVYSNQBCP-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981153396 697019682 /nfs/dbraw/zinc/01/96/82/697019682.db2.gz YUJAZKVYSNQBCP-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982296075 697086129 /nfs/dbraw/zinc/08/61/29/697086129.db2.gz JJDFBYKKVPLXQV-HDICACEKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297497 697086717 /nfs/dbraw/zinc/08/67/17/697086717.db2.gz KHAVGFSEYCLCRK-KDURUIRLSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297497 697086721 /nfs/dbraw/zinc/08/67/21/697086721.db2.gz KHAVGFSEYCLCRK-KDURUIRLSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297497 697086724 /nfs/dbraw/zinc/08/67/24/697086724.db2.gz KHAVGFSEYCLCRK-KDURUIRLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982741157 697175153 /nfs/dbraw/zinc/17/51/53/697175153.db2.gz OVWOSXLUTUYJCE-HDICACEKSA-N 2 1 315.461 1.276 20 30 DDEDMP C[NH+]=C(NCC1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261614133 698428806 /nfs/dbraw/zinc/42/88/06/698428806.db2.gz AMGMNCZNRNWGLX-MRXNPFEDSA-N 2 1 308.470 1.406 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000989074571 698530860 /nfs/dbraw/zinc/53/08/60/698530860.db2.gz JXIPNJZNILAUON-CHWSQXEVSA-N 2 1 306.410 1.505 20 30 DDEDMP C[N@@H+](CCCNC(=[NH2+])N1CCSCC1)Cc1ccccc1 ZINC000303768718 698605813 /nfs/dbraw/zinc/60/58/13/698605813.db2.gz APBBPSUHANKKHC-UHFFFAOYSA-N 2 1 306.479 1.872 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000989736745 698746096 /nfs/dbraw/zinc/74/60/96/698746096.db2.gz CTKWBFONAVJKJQ-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716701445 699283975 /nfs/dbraw/zinc/28/39/75/699283975.db2.gz QJIDJDMQCAPFIF-BZSNNMDCSA-N 2 1 313.445 1.931 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716701445 699283978 /nfs/dbraw/zinc/28/39/78/699283978.db2.gz QJIDJDMQCAPFIF-BZSNNMDCSA-N 2 1 313.445 1.931 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000730274466 699505567 /nfs/dbraw/zinc/50/55/67/699505567.db2.gz QRPCNJUSMBWHCA-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000730274466 699505568 /nfs/dbraw/zinc/50/55/68/699505568.db2.gz QRPCNJUSMBWHCA-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000730278213 699505796 /nfs/dbraw/zinc/50/57/96/699505796.db2.gz LCRRSHJREIKTCS-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000730278213 699505797 /nfs/dbraw/zinc/50/57/97/699505797.db2.gz LCRRSHJREIKTCS-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000730278213 699505798 /nfs/dbraw/zinc/50/57/98/699505798.db2.gz LCRRSHJREIKTCS-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000730278213 699505799 /nfs/dbraw/zinc/50/57/99/699505799.db2.gz LCRRSHJREIKTCS-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP c1ccc(C[N@@H+]2CCC(N=NC3=[NH+]CCN3)[C@@H]3CCC[C@@H]32)cc1 ZINC000841658825 702521656 /nfs/dbraw/zinc/52/16/56/702521656.db2.gz DIEVPCSXZQCLKH-RDJZCZTQSA-N 2 1 311.433 1.966 20 30 DDEDMP c1ccc(C[N@H+]2CCC(N=NC3=[NH+]CCN3)[C@@H]3CCC[C@@H]32)cc1 ZINC000841658825 702521659 /nfs/dbraw/zinc/52/16/59/702521659.db2.gz DIEVPCSXZQCLKH-RDJZCZTQSA-N 2 1 311.433 1.966 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000847380133 703410815 /nfs/dbraw/zinc/41/08/15/703410815.db2.gz YDPUMENWSFIOGO-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000847380133 703410817 /nfs/dbraw/zinc/41/08/17/703410817.db2.gz YDPUMENWSFIOGO-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847380133 703410819 /nfs/dbraw/zinc/41/08/19/703410819.db2.gz YDPUMENWSFIOGO-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cn1 ZINC000848408854 703547513 /nfs/dbraw/zinc/54/75/13/703547513.db2.gz CUAQJGAIIGKZCF-AWEZNQCLSA-N 2 1 312.377 1.926 20 30 DDEDMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862183 704152116 /nfs/dbraw/zinc/15/21/16/704152116.db2.gz VQWWVVMYRITVRI-OWCLPIDISA-N 2 1 305.466 1.472 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000884215810 708194449 /nfs/dbraw/zinc/19/44/49/708194449.db2.gz BGWPEUDQJGLMOV-SJORKVTESA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000884215810 708194452 /nfs/dbraw/zinc/19/44/52/708194452.db2.gz BGWPEUDQJGLMOV-SJORKVTESA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000884215810 708194455 /nfs/dbraw/zinc/19/44/55/708194455.db2.gz BGWPEUDQJGLMOV-SJORKVTESA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000884215810 708194458 /nfs/dbraw/zinc/19/44/58/708194458.db2.gz BGWPEUDQJGLMOV-SJORKVTESA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000884311492 708238449 /nfs/dbraw/zinc/23/84/49/708238449.db2.gz DBHIYAHMVNPNEL-KLAILNCOSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000884311492 708238452 /nfs/dbraw/zinc/23/84/52/708238452.db2.gz DBHIYAHMVNPNEL-KLAILNCOSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCCC)C1 ZINC000884359539 708262684 /nfs/dbraw/zinc/26/26/84/708262684.db2.gz LBUADUDESMWFCA-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C[N@H+](C)CCCC)C1 ZINC000884359539 708262687 /nfs/dbraw/zinc/26/26/87/708262687.db2.gz LBUADUDESMWFCA-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](C)CCCC)C1 ZINC000884359539 708262690 /nfs/dbraw/zinc/26/26/90/708262690.db2.gz LBUADUDESMWFCA-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C[NH+](C)CCCC)C1 ZINC000884359539 708262693 /nfs/dbraw/zinc/26/26/93/708262693.db2.gz LBUADUDESMWFCA-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP N#CC1(C[C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)CCC1 ZINC000886239567 708722110 /nfs/dbraw/zinc/72/21/10/708722110.db2.gz ZWNCVBLLNGECOJ-MRXNPFEDSA-N 2 1 321.465 1.258 20 30 DDEDMP C#CC[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1 ZINC000889332906 709475724 /nfs/dbraw/zinc/47/57/24/709475724.db2.gz NWAHZYKKSHTWTR-HOTGVXAUSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[C@H]1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1 ZINC000889332906 709475726 /nfs/dbraw/zinc/47/57/26/709475726.db2.gz NWAHZYKKSHTWTR-HOTGVXAUSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000890367867 709840571 /nfs/dbraw/zinc/84/05/71/709840571.db2.gz WSQYOMSPZGAMJJ-RDJZCZTQSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000890367867 709840578 /nfs/dbraw/zinc/84/05/78/709840578.db2.gz WSQYOMSPZGAMJJ-RDJZCZTQSA-N 2 1 320.481 1.456 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000908316119 712739192 /nfs/dbraw/zinc/73/91/92/712739192.db2.gz ORQJTILFVKGMAR-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000914219423 713361510 /nfs/dbraw/zinc/36/15/10/713361510.db2.gz UMOKETMYCFUKDI-JKSUJKDBSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963800075 717909234 /nfs/dbraw/zinc/90/92/34/717909234.db2.gz FDJSRTRFQVDXRY-VFIJXHPYSA-N 2 1 315.461 1.511 20 30 DDEDMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)C2 ZINC000922391806 714039449 /nfs/dbraw/zinc/03/94/49/714039449.db2.gz ZXHGPMYVERNUHN-LUYZLQTOSA-N 2 1 320.462 1.584 20 30 DDEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C#N)cs1)C2 ZINC000922391806 714039452 /nfs/dbraw/zinc/03/94/52/714039452.db2.gz ZXHGPMYVERNUHN-LUYZLQTOSA-N 2 1 320.462 1.584 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000923356787 714325690 /nfs/dbraw/zinc/32/56/90/714325690.db2.gz UOZZNLGDJQYCLO-SJLPKXTDSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000923356787 714325692 /nfs/dbraw/zinc/32/56/92/714325692.db2.gz UOZZNLGDJQYCLO-SJLPKXTDSA-N 2 1 315.417 1.373 20 30 DDEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC([NH3+])C2)c(OC)c1 ZINC000923360731 714327512 /nfs/dbraw/zinc/32/75/12/714327512.db2.gz FDRNAWJHZAOQLC-GPANFISMSA-N 2 1 320.433 1.585 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957642267 715981158 /nfs/dbraw/zinc/98/11/58/715981158.db2.gz FYTWPBKKPKTVRL-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939129790 716146924 /nfs/dbraw/zinc/14/69/24/716146924.db2.gz ZLWZZTPDMPOQAF-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000960271516 716474732 /nfs/dbraw/zinc/47/47/32/716474732.db2.gz XEEMAMQTQWPYTQ-NCOADZHNSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960271516 716474738 /nfs/dbraw/zinc/47/47/38/716474738.db2.gz XEEMAMQTQWPYTQ-NCOADZHNSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960271516 716474743 /nfs/dbraw/zinc/47/47/43/716474743.db2.gz XEEMAMQTQWPYTQ-NCOADZHNSA-N 2 1 303.450 1.034 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961189621 716854961 /nfs/dbraw/zinc/85/49/61/716854961.db2.gz OWWDWXXPWPPYQV-UOIKSKOESA-N 2 1 314.433 1.384 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000961189621 716854964 /nfs/dbraw/zinc/85/49/64/716854964.db2.gz OWWDWXXPWPPYQV-UOIKSKOESA-N 2 1 314.433 1.384 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#C)CC2(C)C)CC1 ZINC000941237199 717136436 /nfs/dbraw/zinc/13/64/36/717136436.db2.gz JONVZKFIOWGPDZ-KRWDZBQOSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941238451 717136882 /nfs/dbraw/zinc/13/68/82/717136882.db2.gz WOYCAOOILIHYQT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941238451 717136883 /nfs/dbraw/zinc/13/68/83/717136883.db2.gz WOYCAOOILIHYQT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941238451 717136884 /nfs/dbraw/zinc/13/68/84/717136884.db2.gz WOYCAOOILIHYQT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942258912 717582684 /nfs/dbraw/zinc/58/26/84/717582684.db2.gz QLLCFDNHTCZURT-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967203679 718790639 /nfs/dbraw/zinc/79/06/39/718790639.db2.gz GAZVWPGJNJTNCS-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967203679 718790640 /nfs/dbraw/zinc/79/06/40/718790640.db2.gz GAZVWPGJNJTNCS-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861529 718929439 /nfs/dbraw/zinc/92/94/39/718929439.db2.gz RXYTUDYVGMCNRJ-CALCHBBNSA-N 2 1 315.461 1.276 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892927 718937816 /nfs/dbraw/zinc/93/78/16/718937816.db2.gz SGJCXRFAXVUWQM-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892927 718937820 /nfs/dbraw/zinc/93/78/20/718937820.db2.gz SGJCXRFAXVUWQM-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892927 718937822 /nfs/dbraw/zinc/93/78/22/718937822.db2.gz SGJCXRFAXVUWQM-BBWFWOEESA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948381751 719475599 /nfs/dbraw/zinc/47/55/99/719475599.db2.gz VCHIXGSQTZYXPL-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948381751 719475603 /nfs/dbraw/zinc/47/56/03/719475603.db2.gz VCHIXGSQTZYXPL-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948381751 719475606 /nfs/dbraw/zinc/47/56/06/719475606.db2.gz VCHIXGSQTZYXPL-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000948621080 719593582 /nfs/dbraw/zinc/59/35/82/719593582.db2.gz LRDXKOISLDUHQS-INIZCTEOSA-N 2 1 310.401 1.894 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@H+]2CC#C)CC1 ZINC000969155608 719981014 /nfs/dbraw/zinc/98/10/14/719981014.db2.gz BXQQHZDFDUBMIS-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000969832869 720525525 /nfs/dbraw/zinc/52/55/25/720525525.db2.gz KDRCOAPPGWJPBR-PBHICJAKSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969835099 720526536 /nfs/dbraw/zinc/52/65/36/720526536.db2.gz CXRXZXQCAYSFJZ-QAPCUYQASA-N 2 1 317.477 1.853 20 30 DDEDMP Cc1ccc(CC#N)c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC001164735482 720526996 /nfs/dbraw/zinc/52/69/96/720526996.db2.gz YOPLQEDQTNUIAH-OAHLLOKOSA-N 2 1 324.432 1.851 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969864304 720540038 /nfs/dbraw/zinc/54/00/38/720540038.db2.gz ALZVKGZGNUTWOQ-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC000969864304 720540041 /nfs/dbraw/zinc/54/00/41/720540041.db2.gz ALZVKGZGNUTWOQ-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326512 720712007 /nfs/dbraw/zinc/71/20/07/720712007.db2.gz TYWLTFZBMCSIKS-WBVHZDCISA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326512 720712012 /nfs/dbraw/zinc/71/20/12/720712012.db2.gz TYWLTFZBMCSIKS-WBVHZDCISA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970752350 720922232 /nfs/dbraw/zinc/92/22/32/720922232.db2.gz SFZKVYBKPPHSAV-CYBMUJFWSA-N 2 1 300.406 1.221 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC000951211853 720959526 /nfs/dbraw/zinc/95/95/26/720959526.db2.gz COXYGDNIPXWDFB-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000951211853 720959528 /nfs/dbraw/zinc/95/95/28/720959528.db2.gz COXYGDNIPXWDFB-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971561850 721355437 /nfs/dbraw/zinc/35/54/37/721355437.db2.gz CEHDSXBFDXFTIW-GJZGRUSLSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000971561850 721355440 /nfs/dbraw/zinc/35/54/40/721355440.db2.gz CEHDSXBFDXFTIW-GJZGRUSLSA-N 2 1 302.422 1.563 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552964 735307469 /nfs/dbraw/zinc/30/74/69/735307469.db2.gz SARNLMTUFAQWCO-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552964 735307471 /nfs/dbraw/zinc/30/74/71/735307471.db2.gz SARNLMTUFAQWCO-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552964 735307473 /nfs/dbraw/zinc/30/74/73/735307473.db2.gz SARNLMTUFAQWCO-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001023762481 735450656 /nfs/dbraw/zinc/45/06/56/735450656.db2.gz XVXYMOMOYNNFTE-INIZCTEOSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001027650998 738512335 /nfs/dbraw/zinc/51/23/35/738512335.db2.gz HYVGEYPMORPLGB-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001114956603 732609175 /nfs/dbraw/zinc/60/91/75/732609175.db2.gz LISIFRGYPPHGOX-OJLVUWQFSA-N 2 1 302.422 1.601 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952616 732887233 /nfs/dbraw/zinc/88/72/33/732887233.db2.gz WXMUJAPKBLXWTR-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021635373 733390000 /nfs/dbraw/zinc/39/00/00/733390000.db2.gz KBCLRISUAMNAJO-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635373 733390004 /nfs/dbraw/zinc/39/00/04/733390004.db2.gz KBCLRISUAMNAJO-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635373 733390009 /nfs/dbraw/zinc/39/00/09/733390009.db2.gz KBCLRISUAMNAJO-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663280 733416311 /nfs/dbraw/zinc/41/63/11/733416311.db2.gz BKFVECDWDGKNHA-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736960 733497530 /nfs/dbraw/zinc/49/75/30/733497530.db2.gz PTHRXAKQSATBOA-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736960 733497532 /nfs/dbraw/zinc/49/75/32/733497532.db2.gz PTHRXAKQSATBOA-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121133623 782372684 /nfs/dbraw/zinc/37/26/84/782372684.db2.gz FRODLABDVIBZBH-HGWOHTHGSA-N 2 1 317.477 1.757 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001022837228 734818201 /nfs/dbraw/zinc/81/82/01/734818201.db2.gz SATSVKRZWZHXRS-BARDWOONSA-N 2 1 311.857 1.993 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001098572473 734897801 /nfs/dbraw/zinc/89/78/01/734897801.db2.gz JKWGLOODDGZZBI-UHFFFAOYSA-N 2 1 311.470 1.188 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572473 734897802 /nfs/dbraw/zinc/89/78/02/734897802.db2.gz JKWGLOODDGZZBI-UHFFFAOYSA-N 2 1 311.470 1.188 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001098572473 734897803 /nfs/dbraw/zinc/89/78/03/734897803.db2.gz JKWGLOODDGZZBI-UHFFFAOYSA-N 2 1 311.470 1.188 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104681111 736512709 /nfs/dbraw/zinc/51/27/09/736512709.db2.gz DVALPUYMNPZNHW-GVDBMIGSSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042277 737476916 /nfs/dbraw/zinc/47/69/16/737476916.db2.gz UUPAVGKAOGGIMJ-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042277 737476918 /nfs/dbraw/zinc/47/69/18/737476918.db2.gz UUPAVGKAOGGIMJ-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001008486847 737677082 /nfs/dbraw/zinc/67/70/82/737677082.db2.gz JUXUHKTXVYIQIW-UONOGXRCSA-N 2 1 302.422 1.986 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008750667 738009744 /nfs/dbraw/zinc/00/97/44/738009744.db2.gz XKRAKOWTLZRLNP-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414252 738273114 /nfs/dbraw/zinc/27/31/14/738273114.db2.gz KXUDMWVAHNYDKN-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001027430826 738286211 /nfs/dbraw/zinc/28/62/11/738286211.db2.gz ZBMOVINSDLALAA-HNNXBMFYSA-N 2 1 319.474 1.979 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041412064 739201908 /nfs/dbraw/zinc/20/19/08/739201908.db2.gz FLIMPXPFKHVFJW-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041412064 739201911 /nfs/dbraw/zinc/20/19/11/739201911.db2.gz FLIMPXPFKHVFJW-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041412064 739201912 /nfs/dbraw/zinc/20/19/12/739201912.db2.gz FLIMPXPFKHVFJW-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998048494 751487005 /nfs/dbraw/zinc/48/70/05/751487005.db2.gz VZSHYFAGVOTBHZ-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998048494 751487009 /nfs/dbraw/zinc/48/70/09/751487009.db2.gz VZSHYFAGVOTBHZ-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000998048494 751487011 /nfs/dbraw/zinc/48/70/11/751487011.db2.gz VZSHYFAGVOTBHZ-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000998048494 751487015 /nfs/dbraw/zinc/48/70/15/751487015.db2.gz VZSHYFAGVOTBHZ-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001028710496 739941611 /nfs/dbraw/zinc/94/16/11/739941611.db2.gz OKZYPFRQUUAJQX-INIZCTEOSA-N 2 1 313.445 1.476 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630255 740683793 /nfs/dbraw/zinc/68/37/93/740683793.db2.gz AQRUDILJJZNJJJ-HRCADAONSA-N 2 1 314.433 1.438 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836623 740776824 /nfs/dbraw/zinc/77/68/24/740776824.db2.gz BCGVMNGHZISFJG-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836623 740776827 /nfs/dbraw/zinc/77/68/27/740776827.db2.gz BCGVMNGHZISFJG-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836623 740776831 /nfs/dbraw/zinc/77/68/31/740776831.db2.gz BCGVMNGHZISFJG-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836623 740776835 /nfs/dbraw/zinc/77/68/35/740776835.db2.gz BCGVMNGHZISFJG-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088025793 740956701 /nfs/dbraw/zinc/95/67/01/740956701.db2.gz AVKCAJUUYTXJGT-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170409 741083467 /nfs/dbraw/zinc/08/34/67/741083467.db2.gz QMVQXAMLDNYAAD-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170409 741083469 /nfs/dbraw/zinc/08/34/69/741083469.db2.gz QMVQXAMLDNYAAD-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170409 741083471 /nfs/dbraw/zinc/08/34/71/741083471.db2.gz QMVQXAMLDNYAAD-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088616877 741978044 /nfs/dbraw/zinc/97/80/44/741978044.db2.gz PKWSPALJVGEJQP-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088616877 741978046 /nfs/dbraw/zinc/97/80/46/741978046.db2.gz PKWSPALJVGEJQP-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088616877 741978047 /nfs/dbraw/zinc/97/80/47/741978047.db2.gz PKWSPALJVGEJQP-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085947 742528179 /nfs/dbraw/zinc/52/81/79/742528179.db2.gz JNAQEJRMXLNRKN-GVDBMIGSSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076085947 742528181 /nfs/dbraw/zinc/52/81/81/742528181.db2.gz JNAQEJRMXLNRKN-GVDBMIGSSA-N 2 1 301.434 1.027 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)[C@@H]2C1 ZINC001076262722 742631628 /nfs/dbraw/zinc/63/16/28/742631628.db2.gz SNDMWFJCJDSWNX-KLZNWCGWSA-N 2 1 314.433 1.632 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576584 742799710 /nfs/dbraw/zinc/79/97/10/742799710.db2.gz RFCPMDXQGVCILP-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001076576584 742799714 /nfs/dbraw/zinc/79/97/14/742799714.db2.gz RFCPMDXQGVCILP-YESZJQIVSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181507442 743216180 /nfs/dbraw/zinc/21/61/80/743216180.db2.gz DAEHQDQJOMZWNG-YFHUEUNASA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002876372 743542303 /nfs/dbraw/zinc/54/23/03/743542303.db2.gz YDQXPFDIBVCQFL-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001182775982 743723416 /nfs/dbraw/zinc/72/34/16/743723416.db2.gz QDBNSWWIQYTEGK-CRAIPNDOSA-N 2 1 316.449 1.714 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001182897187 743747811 /nfs/dbraw/zinc/74/78/11/743747811.db2.gz PVTFLMMLTBJVSW-SJLPKXTDSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035795649 751884090 /nfs/dbraw/zinc/88/40/90/751884090.db2.gz XGCZZKWZYSVZQJ-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001185307853 744202042 /nfs/dbraw/zinc/20/20/42/744202042.db2.gz RTBGPYBWEMAULX-WBVHZDCISA-N 2 1 316.449 1.679 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860352 744245138 /nfs/dbraw/zinc/24/51/38/744245138.db2.gz HZQFRYOTUBZDTK-VKJFTORMSA-N 2 1 323.456 1.801 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860352 744245142 /nfs/dbraw/zinc/24/51/42/744245142.db2.gz HZQFRYOTUBZDTK-VKJFTORMSA-N 2 1 323.456 1.801 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860352 744245146 /nfs/dbraw/zinc/24/51/46/744245146.db2.gz HZQFRYOTUBZDTK-VKJFTORMSA-N 2 1 323.456 1.801 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860352 744245148 /nfs/dbraw/zinc/24/51/48/744245148.db2.gz HZQFRYOTUBZDTK-VKJFTORMSA-N 2 1 323.456 1.801 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001186082992 744333063 /nfs/dbraw/zinc/33/30/63/744333063.db2.gz QNPFXTCRDLWIQS-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]3CCC[N@H+]31)CC2 ZINC001035815049 751916994 /nfs/dbraw/zinc/91/69/94/751916994.db2.gz YHGFARDTJOGYJJ-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117282 744821839 /nfs/dbraw/zinc/82/18/39/744821839.db2.gz GUOZWQYEAKYCJK-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117282 744821840 /nfs/dbraw/zinc/82/18/40/744821840.db2.gz GUOZWQYEAKYCJK-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117282 744821842 /nfs/dbraw/zinc/82/18/42/744821842.db2.gz GUOZWQYEAKYCJK-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCF)CC3)CC1 ZINC000992505906 744925879 /nfs/dbraw/zinc/92/58/79/744925879.db2.gz IIHDCMPFAACOFF-WMZOPIPTSA-N 2 1 321.440 1.414 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)CC[N@H+](C)CCC)C2)C1 ZINC001122100820 745140927 /nfs/dbraw/zinc/14/09/27/745140927.db2.gz AYSDLCIQSYORAT-UHFFFAOYSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000992754491 745175672 /nfs/dbraw/zinc/17/56/72/745175672.db2.gz VSRZGBHTEXSSNJ-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001190725744 745308040 /nfs/dbraw/zinc/30/80/40/745308040.db2.gz RDBKKYOEAQUXKI-IBQUMJASSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C/CC)C1 ZINC001190725744 745308047 /nfs/dbraw/zinc/30/80/47/745308047.db2.gz RDBKKYOEAQUXKI-IBQUMJASSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001190725744 745308054 /nfs/dbraw/zinc/30/80/54/745308054.db2.gz RDBKKYOEAQUXKI-IBQUMJASSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC/C=C/CC)C1 ZINC001190725744 745308062 /nfs/dbraw/zinc/30/80/62/745308062.db2.gz RDBKKYOEAQUXKI-IBQUMJASSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC/C=C/CC)C1 ZINC001190725744 745308070 /nfs/dbraw/zinc/30/80/70/745308070.db2.gz RDBKKYOEAQUXKI-IBQUMJASSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001190910449 745382120 /nfs/dbraw/zinc/38/21/20/745382120.db2.gz JEOLSUAFMPFYJB-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192435093 745785511 /nfs/dbraw/zinc/78/55/11/745785511.db2.gz JIKRDACEGFRJCB-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089336063 745785680 /nfs/dbraw/zinc/78/56/80/745785680.db2.gz RPYMHFBHRHKAJB-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336063 745785684 /nfs/dbraw/zinc/78/56/84/745785684.db2.gz RPYMHFBHRHKAJB-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089336067 745785903 /nfs/dbraw/zinc/78/59/03/745785903.db2.gz RPYMHFBHRHKAJB-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336067 745785906 /nfs/dbraw/zinc/78/59/06/745785906.db2.gz RPYMHFBHRHKAJB-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641385 745854086 /nfs/dbraw/zinc/85/40/86/745854086.db2.gz KSRRBCRVJFVWOK-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001192641385 745854091 /nfs/dbraw/zinc/85/40/91/745854091.db2.gz KSRRBCRVJFVWOK-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382558 746082900 /nfs/dbraw/zinc/08/29/00/746082900.db2.gz JXHWUSZJLZMXBU-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993615926 746234241 /nfs/dbraw/zinc/23/42/41/746234241.db2.gz PHUCXMXAFIGXTP-WMLDXEAASA-N 2 1 310.401 1.940 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245958 746319006 /nfs/dbraw/zinc/31/90/06/746319006.db2.gz HMVWKFXMAHSDAE-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997014 746507745 /nfs/dbraw/zinc/50/77/45/746507745.db2.gz KDGAFOBYICMNFD-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997014 746507748 /nfs/dbraw/zinc/50/77/48/746507748.db2.gz KDGAFOBYICMNFD-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997014 746507753 /nfs/dbraw/zinc/50/77/53/746507753.db2.gz KDGAFOBYICMNFD-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421878 746844889 /nfs/dbraw/zinc/84/48/89/746844889.db2.gz ZAMOCXJXTPPUEU-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776637 747473496 /nfs/dbraw/zinc/47/34/96/747473496.db2.gz XWBNPFJRDBVXST-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198865811 747639699 /nfs/dbraw/zinc/63/96/99/747639699.db2.gz NEZUKKPPKKRUPX-MRXNPFEDSA-N 2 1 317.433 1.417 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198984831 747669517 /nfs/dbraw/zinc/66/95/17/747669517.db2.gz SCLAHIYAWWGQFZ-GOEBONIOSA-N 2 1 315.417 1.027 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198984831 747669524 /nfs/dbraw/zinc/66/95/24/747669524.db2.gz SCLAHIYAWWGQFZ-GOEBONIOSA-N 2 1 315.417 1.027 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820108 747970069 /nfs/dbraw/zinc/97/00/69/747970069.db2.gz KRMVYQJKXAXMNT-NXOAAHMSSA-N 2 1 317.477 1.826 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200577650 748283552 /nfs/dbraw/zinc/28/35/52/748283552.db2.gz CJUUGJRNYUWSPI-RDJZCZTQSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001083831553 748336053 /nfs/dbraw/zinc/33/60/53/748336053.db2.gz QVPFKBHDFSSRKB-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001004383428 748392335 /nfs/dbraw/zinc/39/23/35/748392335.db2.gz YOCXUAIHRIVNCZ-IRXDYDNUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001004383428 748392342 /nfs/dbraw/zinc/39/23/42/748392342.db2.gz YOCXUAIHRIVNCZ-IRXDYDNUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001004383428 748392349 /nfs/dbraw/zinc/39/23/49/748392349.db2.gz YOCXUAIHRIVNCZ-IRXDYDNUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004383428 748392355 /nfs/dbraw/zinc/39/23/55/748392355.db2.gz YOCXUAIHRIVNCZ-IRXDYDNUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001004383428 748392361 /nfs/dbraw/zinc/39/23/61/748392361.db2.gz YOCXUAIHRIVNCZ-IRXDYDNUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CCCO1 ZINC001201419143 748509777 /nfs/dbraw/zinc/50/97/77/748509777.db2.gz DUBHDJLRDBVRHP-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033161907 748679104 /nfs/dbraw/zinc/67/91/04/748679104.db2.gz OKSWNXDCUMJASW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033161907 748679106 /nfs/dbraw/zinc/67/91/06/748679106.db2.gz OKSWNXDCUMJASW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033161907 748679109 /nfs/dbraw/zinc/67/91/09/748679109.db2.gz OKSWNXDCUMJASW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001033161907 748679113 /nfs/dbraw/zinc/67/91/13/748679113.db2.gz OKSWNXDCUMJASW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223534 748980283 /nfs/dbraw/zinc/98/02/83/748980283.db2.gz RLOXXQHRMSYFGT-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223534 748980287 /nfs/dbraw/zinc/98/02/87/748980287.db2.gz RLOXXQHRMSYFGT-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223534 748980289 /nfs/dbraw/zinc/98/02/89/748980289.db2.gz RLOXXQHRMSYFGT-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114358341 749111233 /nfs/dbraw/zinc/11/12/33/749111233.db2.gz UKKAUGDUJZSHDL-RFQIPJPRSA-N 2 1 317.836 1.465 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001114358341 749111235 /nfs/dbraw/zinc/11/12/35/749111235.db2.gz UKKAUGDUJZSHDL-RFQIPJPRSA-N 2 1 317.836 1.465 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033418114 749316806 /nfs/dbraw/zinc/31/68/06/749316806.db2.gz ZVUGCULKVLJNCQ-YOEHRIQHSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033418114 749316809 /nfs/dbraw/zinc/31/68/09/749316809.db2.gz ZVUGCULKVLJNCQ-YOEHRIQHSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033418114 749316811 /nfs/dbraw/zinc/31/68/11/749316811.db2.gz ZVUGCULKVLJNCQ-YOEHRIQHSA-N 2 1 311.445 1.918 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1(C)C ZINC000996166118 749413784 /nfs/dbraw/zinc/41/37/84/749413784.db2.gz DEQWNFZOVFKCAD-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996378418 749544411 /nfs/dbraw/zinc/54/44/11/749544411.db2.gz GQKIGSGOLVYZRL-HOTGVXAUSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039374743 761976640 /nfs/dbraw/zinc/97/66/40/761976640.db2.gz IINLEKGSRXWJEZ-SQNIBIBYSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001039379972 761979306 /nfs/dbraw/zinc/97/93/06/761979306.db2.gz FXKRQWBHAZKMRU-LTIDMASMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039379972 761979313 /nfs/dbraw/zinc/97/93/13/761979313.db2.gz FXKRQWBHAZKMRU-LTIDMASMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001039379972 761979320 /nfs/dbraw/zinc/97/93/20/761979320.db2.gz FXKRQWBHAZKMRU-LTIDMASMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095425442 749886058 /nfs/dbraw/zinc/88/60/58/749886058.db2.gz QMXBKOVHSJPGCJ-QZWWFDLISA-N 2 1 303.450 1.626 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438630 749959635 /nfs/dbraw/zinc/95/96/35/749959635.db2.gz FKECDMXISKHSOA-ZIFCJYIRSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005426442 750046237 /nfs/dbraw/zinc/04/62/37/750046237.db2.gz TYRZYLYBKTZZEG-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128773839 750086149 /nfs/dbraw/zinc/08/61/49/750086149.db2.gz GBDCZZNLUJJUSJ-GFCCVEGCSA-N 2 1 318.259 1.475 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932675 750137953 /nfs/dbraw/zinc/13/79/53/750137953.db2.gz RCNOXUOXZDCAAV-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932675 750137958 /nfs/dbraw/zinc/13/79/58/750137958.db2.gz RCNOXUOXZDCAAV-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932675 750137960 /nfs/dbraw/zinc/13/79/60/750137960.db2.gz RCNOXUOXZDCAAV-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932675 750137963 /nfs/dbraw/zinc/13/79/63/750137963.db2.gz RCNOXUOXZDCAAV-DLBZAZTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932678 750138075 /nfs/dbraw/zinc/13/80/75/750138075.db2.gz RCNOXUOXZDCAAV-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932678 750138081 /nfs/dbraw/zinc/13/80/81/750138081.db2.gz RCNOXUOXZDCAAV-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932678 750138084 /nfs/dbraw/zinc/13/80/84/750138084.db2.gz RCNOXUOXZDCAAV-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932678 750138088 /nfs/dbraw/zinc/13/80/88/750138088.db2.gz RCNOXUOXZDCAAV-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598755 750213572 /nfs/dbraw/zinc/21/35/72/750213572.db2.gz VQRCUKIZXIKEEV-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598755 750213579 /nfs/dbraw/zinc/21/35/79/750213579.db2.gz VQRCUKIZXIKEEV-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598755 750213584 /nfs/dbraw/zinc/21/35/84/750213584.db2.gz VQRCUKIZXIKEEV-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609154 750234016 /nfs/dbraw/zinc/23/40/16/750234016.db2.gz FLKMXBCOFMXCLG-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609154 750234022 /nfs/dbraw/zinc/23/40/22/750234022.db2.gz FLKMXBCOFMXCLG-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609154 750234025 /nfs/dbraw/zinc/23/40/25/750234025.db2.gz FLKMXBCOFMXCLG-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976729 750271528 /nfs/dbraw/zinc/27/15/28/750271528.db2.gz UWKYQJVRIWOGPG-ZACQAIPSSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001034674098 750673209 /nfs/dbraw/zinc/67/32/09/750673209.db2.gz DIVRWSPZUVJQKE-VQHPVUNQSA-N 2 1 303.450 1.654 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163511 750918364 /nfs/dbraw/zinc/91/83/64/750918364.db2.gz KMEDCDYKZRWTDV-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CN(C)CCO1)CC2 ZINC001035170591 751256617 /nfs/dbraw/zinc/25/66/17/751256617.db2.gz SLROMSAKENFJJW-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035170591 751256621 /nfs/dbraw/zinc/25/66/21/751256621.db2.gz SLROMSAKENFJJW-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035170591 751256623 /nfs/dbraw/zinc/25/66/23/751256623.db2.gz SLROMSAKENFJJW-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035170591 751256627 /nfs/dbraw/zinc/25/66/27/751256627.db2.gz SLROMSAKENFJJW-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)CC2 ZINC001035170591 751256630 /nfs/dbraw/zinc/25/66/30/751256630.db2.gz SLROMSAKENFJJW-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999369023 752871685 /nfs/dbraw/zinc/87/16/85/752871685.db2.gz IMINYKPOWVQJPI-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCC2CC2)CC1 ZINC001000787827 762202048 /nfs/dbraw/zinc/20/20/48/762202048.db2.gz KHZHPQZUDORLMQ-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001000787827 762202057 /nfs/dbraw/zinc/20/20/57/762202057.db2.gz KHZHPQZUDORLMQ-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC2CC2)CC1 ZINC001000787827 762202063 /nfs/dbraw/zinc/20/20/63/762202063.db2.gz KHZHPQZUDORLMQ-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC2CC2)CC1 ZINC001000787827 762202068 /nfs/dbraw/zinc/20/20/68/762202068.db2.gz KHZHPQZUDORLMQ-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107997980 753394815 /nfs/dbraw/zinc/39/48/15/753394815.db2.gz GJIJBKDMZOUKOT-AEFFLSMTSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108010160 753502829 /nfs/dbraw/zinc/50/28/29/753502829.db2.gz OQTAFGQKPWPCDI-RDJZCZTQSA-N 2 1 311.470 1.356 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccc(C#N)cc2)C1 ZINC001032781654 753632211 /nfs/dbraw/zinc/63/22/11/753632211.db2.gz CSAUYIXHHIWITC-BZSNNMDCSA-N 2 1 324.428 1.295 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001032781654 753632217 /nfs/dbraw/zinc/63/22/17/753632217.db2.gz CSAUYIXHHIWITC-BZSNNMDCSA-N 2 1 324.428 1.295 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(C#N)cc2)C1 ZINC001032781654 753632220 /nfs/dbraw/zinc/63/22/20/753632220.db2.gz CSAUYIXHHIWITC-BZSNNMDCSA-N 2 1 324.428 1.295 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(C#N)cc2)C1 ZINC001032781654 753632224 /nfs/dbraw/zinc/63/22/24/753632224.db2.gz CSAUYIXHHIWITC-BZSNNMDCSA-N 2 1 324.428 1.295 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(C#N)cc2)C1 ZINC001032781654 753632227 /nfs/dbraw/zinc/63/22/27/753632227.db2.gz CSAUYIXHHIWITC-BZSNNMDCSA-N 2 1 324.428 1.295 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001000843321 762256582 /nfs/dbraw/zinc/25/65/82/762256582.db2.gz VYHJCBQTNHLFHI-IRXDYDNUSA-N 2 1 303.450 1.938 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040106663 762386632 /nfs/dbraw/zinc/38/66/32/762386632.db2.gz CJNUEEXPVRYIMR-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040106663 762386639 /nfs/dbraw/zinc/38/66/39/762386639.db2.gz CJNUEEXPVRYIMR-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040106663 762386641 /nfs/dbraw/zinc/38/66/41/762386641.db2.gz CJNUEEXPVRYIMR-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227158 756238490 /nfs/dbraw/zinc/23/84/90/756238490.db2.gz TWLCRYAVRIXPGR-FGTMMUONSA-N 2 1 313.445 1.708 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040260725 762465800 /nfs/dbraw/zinc/46/58/00/762465800.db2.gz HZZDIJSXKXJTHI-SJLPKXTDSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081885089 756508250 /nfs/dbraw/zinc/50/82/50/756508250.db2.gz ZMTHFSLICWPBQM-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081885089 756508255 /nfs/dbraw/zinc/50/82/55/756508255.db2.gz ZMTHFSLICWPBQM-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081885089 756508259 /nfs/dbraw/zinc/50/82/59/756508259.db2.gz ZMTHFSLICWPBQM-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911921 756644819 /nfs/dbraw/zinc/64/48/19/756644819.db2.gz WPAHNUYKCVZWCV-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015911921 756644823 /nfs/dbraw/zinc/64/48/23/756644823.db2.gz WPAHNUYKCVZWCV-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP N#Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001016001049 756710868 /nfs/dbraw/zinc/71/08/68/756710868.db2.gz HNWGUKINVAHLHX-KRWDZBQOSA-N 2 1 324.428 1.345 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001016001049 756710871 /nfs/dbraw/zinc/71/08/71/756710871.db2.gz HNWGUKINVAHLHX-KRWDZBQOSA-N 2 1 324.428 1.345 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016632052 757221140 /nfs/dbraw/zinc/22/11/40/757221140.db2.gz KMYGOGDZMCPJHT-OAGGEKHMSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+](CCC)C1)C2 ZINC001097694901 757374419 /nfs/dbraw/zinc/37/44/19/757374419.db2.gz KCABNSFOBVSWOZ-HZMVEIRTSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694901 757374429 /nfs/dbraw/zinc/37/44/29/757374429.db2.gz KCABNSFOBVSWOZ-HZMVEIRTSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694901 757374442 /nfs/dbraw/zinc/37/44/42/757374442.db2.gz KCABNSFOBVSWOZ-HZMVEIRTSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694901 757374450 /nfs/dbraw/zinc/37/44/50/757374450.db2.gz KCABNSFOBVSWOZ-HZMVEIRTSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016930005 757485128 /nfs/dbraw/zinc/48/51/28/757485128.db2.gz HTBFOQMYTIWVPL-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985536 757531858 /nfs/dbraw/zinc/53/18/58/757531858.db2.gz KHSBLEYWXNZUDV-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985536 757531866 /nfs/dbraw/zinc/53/18/66/757531866.db2.gz KHSBLEYWXNZUDV-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706095 757670375 /nfs/dbraw/zinc/67/03/75/757670375.db2.gz OUFFYNZBZHKIDW-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706095 757670378 /nfs/dbraw/zinc/67/03/78/757670378.db2.gz OUFFYNZBZHKIDW-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143214 762587496 /nfs/dbraw/zinc/58/74/96/762587496.db2.gz DOZOHQXXITXKJK-INIZCTEOSA-N 2 1 314.433 1.688 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001143214 762587502 /nfs/dbraw/zinc/58/75/02/762587502.db2.gz DOZOHQXXITXKJK-INIZCTEOSA-N 2 1 314.433 1.688 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001017558020 758028206 /nfs/dbraw/zinc/02/82/06/758028206.db2.gz WHOQHTAGLHKXFY-IXDOHACOSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958058 758097892 /nfs/dbraw/zinc/09/78/92/758097892.db2.gz JKDWWCWQCZXKIW-PVAVHDDUSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001040641765 762635754 /nfs/dbraw/zinc/63/57/54/762635754.db2.gz VLAKWJFOALUELW-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040706522 762655472 /nfs/dbraw/zinc/65/54/72/762655472.db2.gz SIICLFZKBVTKEG-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054100388 759165337 /nfs/dbraw/zinc/16/53/37/759165337.db2.gz ZIURBNJGHZFOOF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054100388 759165341 /nfs/dbraw/zinc/16/53/41/759165341.db2.gz ZIURBNJGHZFOOF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001054100388 759165344 /nfs/dbraw/zinc/16/53/44/759165344.db2.gz ZIURBNJGHZFOOF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153807 759234817 /nfs/dbraw/zinc/23/48/17/759234817.db2.gz ZZDILIFGUMHPAQ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153807 759234822 /nfs/dbraw/zinc/23/48/22/759234822.db2.gz ZZDILIFGUMHPAQ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153807 759234829 /nfs/dbraw/zinc/23/48/29/759234829.db2.gz ZZDILIFGUMHPAQ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054239712 759331798 /nfs/dbraw/zinc/33/17/98/759331798.db2.gz KHWYCHLYRAMZIW-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054239712 759331810 /nfs/dbraw/zinc/33/18/10/759331810.db2.gz KHWYCHLYRAMZIW-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054239712 759331818 /nfs/dbraw/zinc/33/18/18/759331818.db2.gz KHWYCHLYRAMZIW-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CC)C3)C2)CC1 ZINC001054245687 759337172 /nfs/dbraw/zinc/33/71/72/759337172.db2.gz YVBOBKXMRUBEKA-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085671323 759979755 /nfs/dbraw/zinc/97/97/55/759979755.db2.gz UTTIDHBDQMJPFB-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085671323 759979758 /nfs/dbraw/zinc/97/97/58/759979758.db2.gz UTTIDHBDQMJPFB-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671323 759979761 /nfs/dbraw/zinc/97/97/61/759979761.db2.gz UTTIDHBDQMJPFB-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001085671323 759979765 /nfs/dbraw/zinc/97/97/65/759979765.db2.gz UTTIDHBDQMJPFB-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001054910826 760177983 /nfs/dbraw/zinc/17/79/83/760177983.db2.gz GFLYKJRHDZZBMX-DZGCQCFKSA-N 2 1 302.422 1.384 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876194 760433416 /nfs/dbraw/zinc/43/34/16/760433416.db2.gz UOHABOXCZPSMNK-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086085412 760939356 /nfs/dbraw/zinc/93/93/56/760939356.db2.gz DEABNVMHHJIPQW-WCXIOVBPSA-N 2 1 305.466 1.921 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108260023 761310163 /nfs/dbraw/zinc/31/01/63/761310163.db2.gz HOASHWDRESEGDE-SFHVURJKSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020065 761459226 /nfs/dbraw/zinc/45/92/26/761459226.db2.gz JNRZUSAMIPVTOU-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039125620 761762371 /nfs/dbraw/zinc/76/23/71/761762371.db2.gz FFFFVDDQJXJVPJ-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039125620 761762378 /nfs/dbraw/zinc/76/23/78/761762378.db2.gz FFFFVDDQJXJVPJ-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039125620 761762385 /nfs/dbraw/zinc/76/23/85/761762385.db2.gz FFFFVDDQJXJVPJ-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001115306105 762804038 /nfs/dbraw/zinc/80/40/38/762804038.db2.gz IVUODTGZYCMJCI-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001115306105 762804045 /nfs/dbraw/zinc/80/40/45/762804045.db2.gz IVUODTGZYCMJCI-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001115306105 762804050 /nfs/dbraw/zinc/80/40/50/762804050.db2.gz IVUODTGZYCMJCI-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041672981 763212913 /nfs/dbraw/zinc/21/29/13/763212913.db2.gz SDIGIWRMTXSBHK-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041740901 763276773 /nfs/dbraw/zinc/27/67/73/763276773.db2.gz FZHLMUFGJCJNFA-GOSISDBHSA-N 2 1 321.465 1.209 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041740901 763276780 /nfs/dbraw/zinc/27/67/80/763276780.db2.gz FZHLMUFGJCJNFA-GOSISDBHSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042094126 763642632 /nfs/dbraw/zinc/64/26/32/763642632.db2.gz CTZJMMRAZBEAOM-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042094126 763642634 /nfs/dbraw/zinc/64/26/34/763642634.db2.gz CTZJMMRAZBEAOM-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042094126 763642636 /nfs/dbraw/zinc/64/26/36/763642636.db2.gz CTZJMMRAZBEAOM-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3[nH]cnc3C)C[C@H]21 ZINC001042335723 763933246 /nfs/dbraw/zinc/93/32/46/763933246.db2.gz NEEZXTAIQLBQBK-GDBMZVCRSA-N 2 1 300.406 1.207 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109733640 763979915 /nfs/dbraw/zinc/97/99/15/763979915.db2.gz ZZJLGJATQGGDTB-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001050926705 764292254 /nfs/dbraw/zinc/29/22/54/764292254.db2.gz DSMMZEIWXKVOIG-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001050926705 764292261 /nfs/dbraw/zinc/29/22/61/764292261.db2.gz DSMMZEIWXKVOIG-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050926705 764292269 /nfs/dbraw/zinc/29/22/69/764292269.db2.gz DSMMZEIWXKVOIG-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050926705 764292275 /nfs/dbraw/zinc/29/22/75/764292275.db2.gz DSMMZEIWXKVOIG-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052275457 765663032 /nfs/dbraw/zinc/66/30/32/765663032.db2.gz LWDXXMLSAXANEQ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275457 765663036 /nfs/dbraw/zinc/66/30/36/765663036.db2.gz LWDXXMLSAXANEQ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275457 765663041 /nfs/dbraw/zinc/66/30/41/765663041.db2.gz LWDXXMLSAXANEQ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275457 765663045 /nfs/dbraw/zinc/66/30/45/765663045.db2.gz LWDXXMLSAXANEQ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCC=C)CC1 ZINC001052459465 765848353 /nfs/dbraw/zinc/84/83/53/765848353.db2.gz OMUKDOBXMDHROZ-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCC=C)CC1 ZINC001052459465 765848359 /nfs/dbraw/zinc/84/83/59/765848359.db2.gz OMUKDOBXMDHROZ-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC=C)CC1 ZINC001052459465 765848367 /nfs/dbraw/zinc/84/83/67/765848367.db2.gz OMUKDOBXMDHROZ-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCC=C)CC1 ZINC001052459465 765848379 /nfs/dbraw/zinc/84/83/79/765848379.db2.gz OMUKDOBXMDHROZ-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001157702463 766169090 /nfs/dbraw/zinc/16/90/90/766169090.db2.gz UCQQPVXDOXCLOC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001157702463 766169096 /nfs/dbraw/zinc/16/90/96/766169096.db2.gz UCQQPVXDOXCLOC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001157702463 766169101 /nfs/dbraw/zinc/16/91/01/766169101.db2.gz UCQQPVXDOXCLOC-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001170211552 766170976 /nfs/dbraw/zinc/17/09/76/766170976.db2.gz PWOAGGKYAPVICQ-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170362250 766264196 /nfs/dbraw/zinc/26/41/96/766264196.db2.gz RZEVURKYRFWQDB-MXWWQKGMSA-N 2 1 315.417 1.728 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045437502 766306079 /nfs/dbraw/zinc/30/60/79/766306079.db2.gz APJXTMXNIMVGAY-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)C1CC1 ZINC001129435158 766891707 /nfs/dbraw/zinc/89/17/07/766891707.db2.gz CIHHRLQTLBCOBA-INIZCTEOSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001129791064 766995752 /nfs/dbraw/zinc/99/57/52/766995752.db2.gz PYFUGIBFOGBIQT-YOEHRIQHSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccccc1F ZINC001129791064 766995759 /nfs/dbraw/zinc/99/57/59/766995759.db2.gz PYFUGIBFOGBIQT-YOEHRIQHSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046377585 767488085 /nfs/dbraw/zinc/48/80/85/767488085.db2.gz MUIOUQFMPCZEER-WMLDXEAASA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001046377585 767488087 /nfs/dbraw/zinc/48/80/87/767488087.db2.gz MUIOUQFMPCZEER-WMLDXEAASA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096100683 767622637 /nfs/dbraw/zinc/62/26/37/767622637.db2.gz FWAYIEMZJYNRSR-BDXSIMOUSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096101242 767631633 /nfs/dbraw/zinc/63/16/33/767631633.db2.gz QOFLUSPLDUHJMA-MHORFTMASA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096101242 767631634 /nfs/dbraw/zinc/63/16/34/767631634.db2.gz QOFLUSPLDUHJMA-MHORFTMASA-N 2 1 317.477 1.996 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001047498315 768520443 /nfs/dbraw/zinc/52/04/43/768520443.db2.gz PJCBGAMMFDVQEZ-ULQDDVLXSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498315 768520448 /nfs/dbraw/zinc/52/04/48/768520448.db2.gz PJCBGAMMFDVQEZ-ULQDDVLXSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001047498315 768520452 /nfs/dbraw/zinc/52/04/52/768520452.db2.gz PJCBGAMMFDVQEZ-ULQDDVLXSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638557 768629414 /nfs/dbraw/zinc/62/94/14/768629414.db2.gz YCSKSYJJGNBGGG-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001047638557 768629416 /nfs/dbraw/zinc/62/94/16/768629416.db2.gz YCSKSYJJGNBGGG-IKGGRYGDSA-N 2 1 323.481 1.331 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310823 768750391 /nfs/dbraw/zinc/75/03/91/768750391.db2.gz ONGBSALWWHZXIB-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310823 768750394 /nfs/dbraw/zinc/75/03/94/768750394.db2.gz ONGBSALWWHZXIB-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310823 768750398 /nfs/dbraw/zinc/75/03/98/768750398.db2.gz ONGBSALWWHZXIB-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406473 768810320 /nfs/dbraw/zinc/81/03/20/768810320.db2.gz JQRVFYZWDAVBAT-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132977169 769378707 /nfs/dbraw/zinc/37/87/07/769378707.db2.gz JXTKJFPBCBUCIX-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001133275138 769661470 /nfs/dbraw/zinc/66/14/70/769661470.db2.gz PWNDFPOPRJFGDM-IRXDYDNUSA-N 2 1 323.481 1.052 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133315828 769704448 /nfs/dbraw/zinc/70/44/48/769704448.db2.gz XMGCZQVQUUUDHC-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012627 770250678 /nfs/dbraw/zinc/25/06/78/770250678.db2.gz GQKFWTQQMMMKBZ-IYBDPMFKSA-N 2 1 317.433 1.921 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012627 770250683 /nfs/dbraw/zinc/25/06/83/770250683.db2.gz GQKFWTQQMMMKBZ-IYBDPMFKSA-N 2 1 317.433 1.921 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049535914 770995941 /nfs/dbraw/zinc/99/59/41/770995941.db2.gz KXEKTQUYOMVIQF-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535914 770995945 /nfs/dbraw/zinc/99/59/45/770995945.db2.gz KXEKTQUYOMVIQF-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049535914 770995951 /nfs/dbraw/zinc/99/59/51/770995951.db2.gz KXEKTQUYOMVIQF-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001049841344 771199240 /nfs/dbraw/zinc/19/92/40/771199240.db2.gz RSQRYCAXKVNFBX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049841344 771199243 /nfs/dbraw/zinc/19/92/43/771199243.db2.gz RSQRYCAXKVNFBX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001049841344 771199245 /nfs/dbraw/zinc/19/92/45/771199245.db2.gz RSQRYCAXKVNFBX-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846182 771203033 /nfs/dbraw/zinc/20/30/33/771203033.db2.gz GGUSIVIODHPHKK-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCF)C[C@H]32)CC1 ZINC001050209111 771434016 /nfs/dbraw/zinc/43/40/16/771434016.db2.gz ZGCZQJUJSYSBIM-DLBZAZTESA-N 2 1 321.440 1.224 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585088 771588304 /nfs/dbraw/zinc/58/83/04/771588304.db2.gz PVCRJZVBSTZKTO-CABCVRRESA-N 2 1 304.438 1.903 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001097085261 771616894 /nfs/dbraw/zinc/61/68/94/771616894.db2.gz AUJGYEFJTCXQEO-VQHPVUNQSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC001135624804 771618684 /nfs/dbraw/zinc/61/86/84/771618684.db2.gz CBFIZLPMVSPMCV-LSDHHAIUSA-N 2 1 304.438 1.903 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675315 771644655 /nfs/dbraw/zinc/64/46/55/771644655.db2.gz DXCVHKRHSMKDLH-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090622838 772050954 /nfs/dbraw/zinc/05/09/54/772050954.db2.gz DEUVOGBONONCON-IAGOWNOFSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090649430 772074347 /nfs/dbraw/zinc/07/43/47/772074347.db2.gz DNTGVHKNRJJWPK-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605660 773206417 /nfs/dbraw/zinc/20/64/17/773206417.db2.gz QGMYNZLQQUYWMN-SJORKVTESA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859149 773474915 /nfs/dbraw/zinc/47/49/15/773474915.db2.gz BOLRLKCYWLUWLE-CQSZACIVSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859149 773474921 /nfs/dbraw/zinc/47/49/21/773474921.db2.gz BOLRLKCYWLUWLE-CQSZACIVSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754570 773592919 /nfs/dbraw/zinc/59/29/19/773592919.db2.gz CEXJAAQVPKFMLE-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148838873 773612374 /nfs/dbraw/zinc/61/23/74/773612374.db2.gz FUOSVDNWKDBLDK-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC001086938121 773729725 /nfs/dbraw/zinc/72/97/25/773729725.db2.gz ITIZVTUOBQRTNN-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091856014 773840768 /nfs/dbraw/zinc/84/07/68/773840768.db2.gz FEHAMMJVZSVVIL-WBVHZDCISA-N 2 1 302.422 1.548 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001091856014 773840774 /nfs/dbraw/zinc/84/07/74/773840774.db2.gz FEHAMMJVZSVVIL-WBVHZDCISA-N 2 1 302.422 1.548 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753454 774251119 /nfs/dbraw/zinc/25/11/19/774251119.db2.gz JRUPYNFQAISJTI-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753454 774251121 /nfs/dbraw/zinc/25/11/21/774251121.db2.gz JRUPYNFQAISJTI-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)C[C@H]2C)CC1 ZINC001093224381 774536159 /nfs/dbraw/zinc/53/61/59/774536159.db2.gz UDWKLVXPUGXALP-SJLPKXTDSA-N 2 1 317.477 1.592 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C)CC1 ZINC001098462810 774586819 /nfs/dbraw/zinc/58/68/19/774586819.db2.gz OQXHGHSUWLFEMM-ZACQAIPSSA-N 2 1 301.434 1.239 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001099271693 774927299 /nfs/dbraw/zinc/92/72/99/774927299.db2.gz ZWLSFQMNWCYYDV-UPJWGTAASA-N 2 1 317.355 1.083 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099271693 774927304 /nfs/dbraw/zinc/92/73/04/774927304.db2.gz ZWLSFQMNWCYYDV-UPJWGTAASA-N 2 1 317.355 1.083 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854940 774943886 /nfs/dbraw/zinc/94/38/86/774943886.db2.gz STUCGIRITUYBQG-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100033363 775597835 /nfs/dbraw/zinc/59/78/35/775597835.db2.gz DCHNJRVWCPBHOE-HOTGVXAUSA-N 2 1 320.437 1.099 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100033363 775597840 /nfs/dbraw/zinc/59/78/40/775597840.db2.gz DCHNJRVWCPBHOE-HOTGVXAUSA-N 2 1 320.437 1.099 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3CC)CCC[C@@H]12 ZINC001094584816 776104500 /nfs/dbraw/zinc/10/45/00/776104500.db2.gz GJIXDPPBPFKGEF-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094584816 776104502 /nfs/dbraw/zinc/10/45/02/776104502.db2.gz GJIXDPPBPFKGEF-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3CC)CCC[C@@H]12 ZINC001094584816 776104505 /nfs/dbraw/zinc/10/45/05/776104505.db2.gz GJIXDPPBPFKGEF-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001095057766 777045576 /nfs/dbraw/zinc/04/55/76/777045576.db2.gz UNLDQOBZAVGWFS-ZNMIVQPWSA-N 2 1 322.840 1.913 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468662 778156702 /nfs/dbraw/zinc/15/67/02/778156702.db2.gz SZZWNJGOBZTYAL-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468662 778156703 /nfs/dbraw/zinc/15/67/03/778156703.db2.gz SZZWNJGOBZTYAL-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599965 778233845 /nfs/dbraw/zinc/23/38/45/778233845.db2.gz FSGLBXGEUBLNDE-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103158145 778675822 /nfs/dbraw/zinc/67/58/22/778675822.db2.gz WETCGBFMHPCERC-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103158145 778675826 /nfs/dbraw/zinc/67/58/26/778675826.db2.gz WETCGBFMHPCERC-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103158145 778675830 /nfs/dbraw/zinc/67/58/30/778675830.db2.gz WETCGBFMHPCERC-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103157993 778676001 /nfs/dbraw/zinc/67/60/01/778676001.db2.gz MXEYPUHITUXNKH-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157993 778676003 /nfs/dbraw/zinc/67/60/03/778676003.db2.gz MXEYPUHITUXNKH-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157993 778676005 /nfs/dbraw/zinc/67/60/05/778676005.db2.gz MXEYPUHITUXNKH-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001179033675 779271376 /nfs/dbraw/zinc/27/13/76/779271376.db2.gz SLYMFUHWNQLOQG-UHFFFAOYSA-N 2 1 316.449 1.661 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180136070 779619515 /nfs/dbraw/zinc/61/95/15/779619515.db2.gz OSJNUVAQVAFXOV-IKGGRYGDSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001112360986 779736181 /nfs/dbraw/zinc/73/61/81/779736181.db2.gz VZUDBPYCUPNGSF-BMFAXAFESA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001112429345 779775151 /nfs/dbraw/zinc/77/51/51/779775151.db2.gz WURBCEOOPQBEDE-SCTDSRPQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112432206 779777085 /nfs/dbraw/zinc/77/70/85/779777085.db2.gz YOVAURPQINITEJ-SCTDSRPQSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001115116056 779884059 /nfs/dbraw/zinc/88/40/59/779884059.db2.gz JFTGPMRKAICYLY-VSZNYVQBSA-N 2 1 313.445 1.912 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001115116056 779884070 /nfs/dbraw/zinc/88/40/70/779884070.db2.gz JFTGPMRKAICYLY-VSZNYVQBSA-N 2 1 313.445 1.912 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001115116056 779884076 /nfs/dbraw/zinc/88/40/76/779884076.db2.gz JFTGPMRKAICYLY-VSZNYVQBSA-N 2 1 313.445 1.912 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001115305674 780023756 /nfs/dbraw/zinc/02/37/56/780023756.db2.gz AYKLCDOSAMVYSC-LTIDMASMSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001267146119 837414630 /nfs/dbraw/zinc/41/46/30/837414630.db2.gz WRTVIQFMXSGZNV-HIFRSBDPSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c(n1)CCCC2 ZINC001266465331 836299263 /nfs/dbraw/zinc/29/92/63/836299263.db2.gz UHCWRFBAGPGXIK-HNNXBMFYSA-N 2 1 302.422 1.529 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001266532893 836426464 /nfs/dbraw/zinc/42/64/64/836426464.db2.gz BFLKFZVIMJKPHM-GOSISDBHSA-N 2 1 313.445 1.232 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001266532893 836426470 /nfs/dbraw/zinc/42/64/70/836426470.db2.gz BFLKFZVIMJKPHM-GOSISDBHSA-N 2 1 313.445 1.232 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001266532893 836426473 /nfs/dbraw/zinc/42/64/73/836426473.db2.gz BFLKFZVIMJKPHM-GOSISDBHSA-N 2 1 313.445 1.232 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266638584 836577380 /nfs/dbraw/zinc/57/73/80/836577380.db2.gz ZHKHEQQIFUJUGB-VGWMRTNUSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266638584 836577383 /nfs/dbraw/zinc/57/73/83/836577383.db2.gz ZHKHEQQIFUJUGB-VGWMRTNUSA-N 2 1 309.454 1.299 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCCOC)C1 ZINC001279241313 838432337 /nfs/dbraw/zinc/43/23/37/838432337.db2.gz DDDVWVHZYFBVLC-JCYILVPMSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCCOC)C1 ZINC001279241313 838432339 /nfs/dbraw/zinc/43/23/39/838432339.db2.gz DDDVWVHZYFBVLC-JCYILVPMSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001267846299 839072687 /nfs/dbraw/zinc/07/26/87/839072687.db2.gz DXLMNFADILIJBJ-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001267846299 839072694 /nfs/dbraw/zinc/07/26/94/839072694.db2.gz DXLMNFADILIJBJ-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001267909540 839178211 /nfs/dbraw/zinc/17/82/11/839178211.db2.gz SPYFFBCGTZCDPB-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001267909540 839178215 /nfs/dbraw/zinc/17/82/15/839178215.db2.gz SPYFFBCGTZCDPB-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001268097512 839683946 /nfs/dbraw/zinc/68/39/46/839683946.db2.gz FOGSAXMANNLURL-RDJZCZTQSA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001268120661 839713452 /nfs/dbraw/zinc/71/34/52/839713452.db2.gz WYDPWBQPSQRETC-DLBZAZTESA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001272085386 844574254 /nfs/dbraw/zinc/57/42/54/844574254.db2.gz NOKSTYBLEXCTQC-GVDBMIGSSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001269130779 841247222 /nfs/dbraw/zinc/24/72/22/841247222.db2.gz WRPPFEMIAQVLOK-MRXNPFEDSA-N 2 1 311.389 1.551 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001271682640 843780123 /nfs/dbraw/zinc/78/01/23/843780123.db2.gz GHEFULPJELUHFN-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001272225007 844772226 /nfs/dbraw/zinc/77/22/26/844772226.db2.gz OXYXKMQDDBOOCQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001272688629 846624269 /nfs/dbraw/zinc/62/42/69/846624269.db2.gz OSIZRXUBIHCBLX-WMLDXEAASA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC001149632586 861766745 /nfs/dbraw/zinc/76/67/45/861766745.db2.gz UAHSLALNKTWHIG-CQSZACIVSA-N 2 1 306.410 1.126 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000997062284 847272070 /nfs/dbraw/zinc/27/20/70/847272070.db2.gz ZXSUJIARHNBMNE-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001015976623 847342313 /nfs/dbraw/zinc/34/23/13/847342313.db2.gz OHKWZWQWSZFOGD-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015976623 847342317 /nfs/dbraw/zinc/34/23/17/847342317.db2.gz OHKWZWQWSZFOGD-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015976623 847342330 /nfs/dbraw/zinc/34/23/30/847342330.db2.gz OHKWZWQWSZFOGD-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015976623 847342343 /nfs/dbraw/zinc/34/23/43/847342343.db2.gz OHKWZWQWSZFOGD-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)CN1CCC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272809479 847464175 /nfs/dbraw/zinc/46/41/75/847464175.db2.gz XIMINIPYZOOBBJ-UHFFFAOYSA-N 2 1 314.433 1.885 20 30 DDEDMP C=CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001272909352 847622043 /nfs/dbraw/zinc/62/20/43/847622043.db2.gz MJNAEXIMXHUFHM-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[N@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001272909352 847622045 /nfs/dbraw/zinc/62/20/45/847622045.db2.gz MJNAEXIMXHUFHM-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034313236 848312820 /nfs/dbraw/zinc/31/28/20/848312820.db2.gz ZYWQYUFUDYCRHD-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001034313236 848312832 /nfs/dbraw/zinc/31/28/32/848312832.db2.gz ZYWQYUFUDYCRHD-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273144928 848569781 /nfs/dbraw/zinc/56/97/81/848569781.db2.gz UJZYEFNAEDQOGJ-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144928 848569787 /nfs/dbraw/zinc/56/97/87/848569787.db2.gz UJZYEFNAEDQOGJ-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001273144928 848569790 /nfs/dbraw/zinc/56/97/90/848569790.db2.gz UJZYEFNAEDQOGJ-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149860585 861948526 /nfs/dbraw/zinc/94/85/26/861948526.db2.gz IDOMJJBPXYMWFR-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860585 861948539 /nfs/dbraw/zinc/94/85/39/861948539.db2.gz IDOMJJBPXYMWFR-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860585 861948550 /nfs/dbraw/zinc/94/85/50/861948550.db2.gz IDOMJJBPXYMWFR-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001328927420 863343850 /nfs/dbraw/zinc/34/38/50/863343850.db2.gz LOOQESLDRFRDJY-UHFFFAOYSA-N 2 1 302.422 1.479 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001273261398 849237893 /nfs/dbraw/zinc/23/78/93/849237893.db2.gz SNUAZUOGCXSSMM-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001273316485 849420126 /nfs/dbraw/zinc/42/01/26/849420126.db2.gz SURSUNQYZQMPBY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001273840765 851408378 /nfs/dbraw/zinc/40/83/78/851408378.db2.gz NERULSSTNVOMMH-WMZOPIPTSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451935 862245169 /nfs/dbraw/zinc/24/51/69/862245169.db2.gz CEKFGDVQCWONCH-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001150451935 862245177 /nfs/dbraw/zinc/24/51/77/862245177.db2.gz CEKFGDVQCWONCH-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150496577 862277506 /nfs/dbraw/zinc/27/75/06/862277506.db2.gz DLNJRHPQTUGTBN-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCN1CC[C@@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274110432 851935301 /nfs/dbraw/zinc/93/53/01/851935301.db2.gz LACPOXBHFLOSFU-GOSISDBHSA-N 2 1 310.401 1.945 20 30 DDEDMP C=CCN1CC[C@@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274110432 851935302 /nfs/dbraw/zinc/93/53/02/851935302.db2.gz LACPOXBHFLOSFU-GOSISDBHSA-N 2 1 310.401 1.945 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274267910 852110288 /nfs/dbraw/zinc/11/02/88/852110288.db2.gz HBQWWPKZZGBZJK-GOSISDBHSA-N 2 1 308.385 1.763 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274267910 852110291 /nfs/dbraw/zinc/11/02/91/852110291.db2.gz HBQWWPKZZGBZJK-GOSISDBHSA-N 2 1 308.385 1.763 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001155791339 862453527 /nfs/dbraw/zinc/45/35/27/862453527.db2.gz WFNKOZYCTGBYDC-CQSZACIVSA-N 2 1 306.435 1.310 20 30 DDEDMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001276290705 855092901 /nfs/dbraw/zinc/09/29/01/855092901.db2.gz SICOACZILDZHCK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001276290705 855092906 /nfs/dbraw/zinc/09/29/06/855092906.db2.gz SICOACZILDZHCK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276290705 855092912 /nfs/dbraw/zinc/09/29/12/855092912.db2.gz SICOACZILDZHCK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276290705 855092915 /nfs/dbraw/zinc/09/29/15/855092915.db2.gz SICOACZILDZHCK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001328035937 862652373 /nfs/dbraw/zinc/65/23/73/862652373.db2.gz VQPPUJOHDIQFLY-DLBZAZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111281395 855413698 /nfs/dbraw/zinc/41/36/98/855413698.db2.gz QABORWIAVVFQDE-OAGGEKHMSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049563563 856981317 /nfs/dbraw/zinc/98/13/17/856981317.db2.gz DCIJIOGGXAZYDM-ZWKOTPCHSA-N 2 1 322.412 1.955 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(CN(C)C)on1 ZINC001049564406 856981438 /nfs/dbraw/zinc/98/14/38/856981438.db2.gz METZLYFOQLEUKS-HZPDHXFCSA-N 2 1 316.405 1.048 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328283911 862861829 /nfs/dbraw/zinc/86/18/29/862861829.db2.gz NDYQAZNKQDLKRL-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CCC1)C2 ZINC001072822692 857757635 /nfs/dbraw/zinc/75/76/35/857757635.db2.gz SVUBCMNRMBRWKD-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC1CCC1)C2 ZINC001072822692 857757640 /nfs/dbraw/zinc/75/76/40/857757640.db2.gz SVUBCMNRMBRWKD-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC1CCC1)C2 ZINC001072822692 857757643 /nfs/dbraw/zinc/75/76/43/857757643.db2.gz SVUBCMNRMBRWKD-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC1CCC1)C2 ZINC001072822692 857757649 /nfs/dbraw/zinc/75/76/49/857757649.db2.gz SVUBCMNRMBRWKD-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767766 858591806 /nfs/dbraw/zinc/59/18/06/858591806.db2.gz KDILKJLCUKTYBX-JFPDKAJLSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121773653 858593395 /nfs/dbraw/zinc/59/33/95/858593395.db2.gz UBHOXUAWTNQFDJ-ZHIXCNEBSA-N 2 1 305.466 1.777 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001154167882 860831487 /nfs/dbraw/zinc/83/14/87/860831487.db2.gz SMURHGFZICAOEM-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001328647214 863126829 /nfs/dbraw/zinc/12/68/29/863126829.db2.gz LHBSJQUKOBYRLY-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001157109726 863586362 /nfs/dbraw/zinc/58/63/62/863586362.db2.gz SQVDJDNBUOGLMU-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001329342442 863608463 /nfs/dbraw/zinc/60/84/63/863608463.db2.gz ZXOGFTXQJSYZBK-UHFFFAOYSA-N 2 1 311.470 1.359 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001330085916 864073016 /nfs/dbraw/zinc/07/30/16/864073016.db2.gz NPJKFQPXOYIESM-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001330244007 864184312 /nfs/dbraw/zinc/18/43/12/864184312.db2.gz IESCROUOUOPABS-HOTGVXAUSA-N 2 1 323.481 1.049 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466780 864374517 /nfs/dbraw/zinc/37/45/17/864374517.db2.gz KIWMHJIIQSOXCU-GVDBMIGSSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466780 864374533 /nfs/dbraw/zinc/37/45/33/864374533.db2.gz KIWMHJIIQSOXCU-GVDBMIGSSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466780 864374551 /nfs/dbraw/zinc/37/45/51/864374551.db2.gz KIWMHJIIQSOXCU-GVDBMIGSSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001331926563 865435557 /nfs/dbraw/zinc/43/55/57/865435557.db2.gz KWROHCPQOYQVRG-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001332000205 865493484 /nfs/dbraw/zinc/49/34/84/865493484.db2.gz YMXBZIMNTSGJKZ-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001332024040 865511081 /nfs/dbraw/zinc/51/10/81/865511081.db2.gz BORISYXHGIRSNW-HOTGVXAUSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332030134 865515573 /nfs/dbraw/zinc/51/55/73/865515573.db2.gz HCDYQFBDXUFHJO-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CCC=C)CC1 ZINC001160386425 865809375 /nfs/dbraw/zinc/80/93/75/865809375.db2.gz YIGNFCNWJSOTRR-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CCC=C)CC1 ZINC001160386425 865809382 /nfs/dbraw/zinc/80/93/82/865809382.db2.gz YIGNFCNWJSOTRR-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC=C)CC1 ZINC001160386425 865809389 /nfs/dbraw/zinc/80/93/89/865809389.db2.gz YIGNFCNWJSOTRR-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CCC=C)CC1 ZINC001160386425 865809392 /nfs/dbraw/zinc/80/93/92/865809392.db2.gz YIGNFCNWJSOTRR-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP N#Cc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)nc2ccccc12 ZINC001160521281 865907801 /nfs/dbraw/zinc/90/78/01/865907801.db2.gz XTHHOKDQSHZTPS-GOSISDBHSA-N 2 1 307.401 1.941 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225590811 881924430 /nfs/dbraw/zinc/92/44/30/881924430.db2.gz GISMETVZSLNIEA-GOSISDBHSA-N 2 1 313.445 1.751 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001332665648 866044792 /nfs/dbraw/zinc/04/47/92/866044792.db2.gz VJMWQGMQSOTVOE-JKSUJKDBSA-N 2 1 311.470 1.188 20 30 DDEDMP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001320518434 866794775 /nfs/dbraw/zinc/79/47/75/866794775.db2.gz RUFHXLTVUMOZEK-FUHWJXTLSA-N 2 1 313.445 1.617 20 30 DDEDMP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001320642853 866910440 /nfs/dbraw/zinc/91/04/40/866910440.db2.gz BMHVIFNRHQRFQZ-LBPRGKRZSA-N 2 1 320.275 1.720 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749643 866959920 /nfs/dbraw/zinc/95/99/20/866959920.db2.gz BHXNTJVVQBUHCM-UHFFFAOYSA-N 2 1 305.466 1.880 20 30 DDEDMP CC#CC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749643 866959934 /nfs/dbraw/zinc/95/99/34/866959934.db2.gz BHXNTJVVQBUHCM-UHFFFAOYSA-N 2 1 305.466 1.880 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749643 866959950 /nfs/dbraw/zinc/95/99/50/866959950.db2.gz BHXNTJVVQBUHCM-UHFFFAOYSA-N 2 1 305.466 1.880 20 30 DDEDMP C[NH+]1CCC(C#N)(Nc2nc(Cl)nc3c2CC[NH2+]C3)CC1 ZINC001162225020 867358193 /nfs/dbraw/zinc/35/81/93/867358193.db2.gz ARPXVCFDGNCYFO-UHFFFAOYSA-N 2 1 306.801 1.176 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@H]2C)(COC)CC1 ZINC001162482763 867567634 /nfs/dbraw/zinc/56/76/34/867567634.db2.gz TUCRRHPDIIBWNF-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCOCC1 ZINC001325004915 867691747 /nfs/dbraw/zinc/69/17/47/867691747.db2.gz BNTFTZCWIUWBCI-JKSUJKDBSA-N 2 1 321.465 1.444 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnc(C)o1 ZINC001322549794 868241092 /nfs/dbraw/zinc/24/10/92/868241092.db2.gz STCFBTWLXGYUIG-INIZCTEOSA-N 2 1 318.421 1.019 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cnc(C)o1 ZINC001322549794 868241101 /nfs/dbraw/zinc/24/11/01/868241101.db2.gz STCFBTWLXGYUIG-INIZCTEOSA-N 2 1 318.421 1.019 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001325740576 868312619 /nfs/dbraw/zinc/31/26/19/868312619.db2.gz MOJDLDGPPMGYDF-FGTMMUONSA-N 2 1 317.477 1.685 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163311093 868339218 /nfs/dbraw/zinc/33/92/18/868339218.db2.gz QLQCMOIJQCFGIP-CXAGYDPISA-N 2 1 313.405 1.940 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001166633594 870115712 /nfs/dbraw/zinc/11/57/12/870115712.db2.gz IATHXJTXIUQBAA-LBPRGKRZSA-N 2 1 318.259 1.475 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001317014993 870120755 /nfs/dbraw/zinc/12/07/55/870120755.db2.gz DWNJHXVJBDOSPO-VFXHQOSVSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC001317014993 870120758 /nfs/dbraw/zinc/12/07/58/870120758.db2.gz DWNJHXVJBDOSPO-VFXHQOSVSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC001340399041 871081481 /nfs/dbraw/zinc/08/14/81/871081481.db2.gz KFTYBCCHADDVSY-UHFFFAOYSA-N 2 1 314.433 1.378 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205283876 871484979 /nfs/dbraw/zinc/48/49/79/871484979.db2.gz JERJXWRMGQJJGO-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464779 871567745 /nfs/dbraw/zinc/56/77/45/871567745.db2.gz WXLXGSIAQOXVMN-GOSISDBHSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001316745099 871791675 /nfs/dbraw/zinc/79/16/75/871791675.db2.gz CXECSBNLYHVUTE-INIZCTEOSA-N 2 1 320.437 1.204 20 30 DDEDMP COCC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001316946779 871857465 /nfs/dbraw/zinc/85/74/65/871857465.db2.gz CTUQGHSKWMJLRI-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001316946779 871857481 /nfs/dbraw/zinc/85/74/81/871857481.db2.gz CTUQGHSKWMJLRI-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001316946779 871857506 /nfs/dbraw/zinc/85/75/06/871857506.db2.gz CTUQGHSKWMJLRI-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001316946779 871857523 /nfs/dbraw/zinc/85/75/23/871857523.db2.gz CTUQGHSKWMJLRI-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)C1CC[NH+](C)CC1 ZINC001346802639 873902000 /nfs/dbraw/zinc/90/20/00/873902000.db2.gz QSMPBULMZSFHNT-USXIJHARSA-N 2 1 318.465 1.066 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209203310 874728285 /nfs/dbraw/zinc/72/82/85/874728285.db2.gz BYSRDONECJTKFD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209642984 875033357 /nfs/dbraw/zinc/03/33/57/875033357.db2.gz QVYYERCGLNABKA-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210144910 875242794 /nfs/dbraw/zinc/24/27/94/875242794.db2.gz BAZYRFLRIMOEOW-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227212656 882912333 /nfs/dbraw/zinc/91/23/33/882912333.db2.gz UXRGAFLUXPSKGA-HUUCEWRRSA-N 2 1 318.421 1.390 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039633 875636403 /nfs/dbraw/zinc/63/64/03/875636403.db2.gz SEKKNDVBOBSASS-IJEWVQPXSA-N 2 1 304.438 1.983 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001211039633 875636408 /nfs/dbraw/zinc/63/64/08/875636408.db2.gz SEKKNDVBOBSASS-IJEWVQPXSA-N 2 1 304.438 1.983 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001211046198 875637856 /nfs/dbraw/zinc/63/78/56/875637856.db2.gz JRCIDWLDDVDYQQ-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094878 875656507 /nfs/dbraw/zinc/65/65/07/875656507.db2.gz WPDUFOQFVAWVEQ-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[NH+]1C ZINC001379085465 876352053 /nfs/dbraw/zinc/35/20/53/876352053.db2.gz RPHHXYHTIZJKBL-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP CN(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001379085465 876352069 /nfs/dbraw/zinc/35/20/69/876352069.db2.gz RPHHXYHTIZJKBL-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP CN(CC[NH+](C)Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001379085465 876352085 /nfs/dbraw/zinc/35/20/85/876352085.db2.gz RPHHXYHTIZJKBL-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001353517419 877394668 /nfs/dbraw/zinc/39/46/68/877394668.db2.gz GHKJDVBBAUESOY-NXOAAHMSSA-N 2 1 323.481 1.770 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221073132 879480262 /nfs/dbraw/zinc/48/02/62/879480262.db2.gz HQFSDAPZITYJDF-BBWFWOEESA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221587646 879960833 /nfs/dbraw/zinc/96/08/33/879960833.db2.gz BWJCGVGDIZQYRC-BZUAXINKSA-N 2 1 311.445 1.775 20 30 DDEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001277392968 884009228 /nfs/dbraw/zinc/00/92/28/884009228.db2.gz BIQWRPDQGYULFG-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610410 884649529 /nfs/dbraw/zinc/64/95/29/884649529.db2.gz AIEBGMABFAJPRI-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230717177 884791895 /nfs/dbraw/zinc/79/18/95/884791895.db2.gz SLBCOMOJVJTYBR-QGZVFWFLSA-N 2 1 316.449 1.670 20 30 DDEDMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717177 884791913 /nfs/dbraw/zinc/79/19/13/884791913.db2.gz SLBCOMOJVJTYBR-QGZVFWFLSA-N 2 1 316.449 1.670 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717177 884791921 /nfs/dbraw/zinc/79/19/21/884791921.db2.gz SLBCOMOJVJTYBR-QGZVFWFLSA-N 2 1 316.449 1.670 20 30 DDEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001278426724 892374078 /nfs/dbraw/zinc/37/40/78/892374078.db2.gz JDWBSMNNYNUIAE-SFHVURJKSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001278426724 892374099 /nfs/dbraw/zinc/37/40/99/892374099.db2.gz JDWBSMNNYNUIAE-SFHVURJKSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001278426724 892374118 /nfs/dbraw/zinc/37/41/18/892374118.db2.gz JDWBSMNNYNUIAE-SFHVURJKSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001246307246 892528688 /nfs/dbraw/zinc/52/86/88/892528688.db2.gz LMHDHTWHKRZNEL-CVEARBPZSA-N 2 1 309.454 1.287 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+]C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001251903741 894880563 /nfs/dbraw/zinc/88/05/63/894880563.db2.gz OLZBJKVLEVDRAN-GOSISDBHSA-N 2 1 316.445 1.641 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001278681915 895441873 /nfs/dbraw/zinc/44/18/73/895441873.db2.gz NXOIKCOXMLDGBU-QGZVFWFLSA-N 2 1 320.437 1.373 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001278681915 895441882 /nfs/dbraw/zinc/44/18/82/895441882.db2.gz NXOIKCOXMLDGBU-QGZVFWFLSA-N 2 1 320.437 1.373 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001279012464 897835624 /nfs/dbraw/zinc/83/56/24/897835624.db2.gz NSJJJFKJTNBWRD-KBPBESRZSA-N 2 1 318.421 1.200 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CC[NH+](C)C ZINC001367836259 897966615 /nfs/dbraw/zinc/96/66/15/897966615.db2.gz QNXMYSXDRYFGKB-CQSZACIVSA-N 2 1 302.422 1.446 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001390538407 899633038 /nfs/dbraw/zinc/63/30/38/899633038.db2.gz ZWENCJLNDWSSGV-CYBMUJFWSA-N 2 1 320.412 1.632 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264123015 900959540 /nfs/dbraw/zinc/95/95/40/900959540.db2.gz XTLKDPRQRBCZAS-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC)C1 ZINC001264466461 901137142 /nfs/dbraw/zinc/13/71/42/901137142.db2.gz YZAIOKIONMQCBC-BBWFWOEESA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC)C1 ZINC001264466461 901137151 /nfs/dbraw/zinc/13/71/51/901137151.db2.gz YZAIOKIONMQCBC-BBWFWOEESA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264586375 901198083 /nfs/dbraw/zinc/19/80/83/901198083.db2.gz OUOYRAHOFFSKHS-OIISXLGYSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001265310252 901866481 /nfs/dbraw/zinc/86/64/81/901866481.db2.gz KBXRPRDMRPHYRZ-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266119796 902978149 /nfs/dbraw/zinc/97/81/49/902978149.db2.gz MSJMCRXBOWBPDV-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001279163362 903188228 /nfs/dbraw/zinc/18/82/28/903188228.db2.gz ZABVSBSMYODDGB-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC001279304853 903216537 /nfs/dbraw/zinc/21/65/37/903216537.db2.gz SKTOUBLTJLADJK-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001280197892 903544276 /nfs/dbraw/zinc/54/42/76/903544276.db2.gz LFWCNPYIRZQKCX-YJBOKZPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCOC)CC1 ZINC001280747001 903979970 /nfs/dbraw/zinc/97/99/70/903979970.db2.gz NAYSIVXOJQHFAE-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCOC)CC1 ZINC001280747001 903979979 /nfs/dbraw/zinc/97/99/79/903979979.db2.gz NAYSIVXOJQHFAE-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCOC)CC1 ZINC001280747001 903979994 /nfs/dbraw/zinc/97/99/94/903979994.db2.gz NAYSIVXOJQHFAE-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCOC)CC1 ZINC001280747001 903980006 /nfs/dbraw/zinc/98/00/06/903980006.db2.gz NAYSIVXOJQHFAE-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001392512108 904319183 /nfs/dbraw/zinc/31/91/83/904319183.db2.gz NZPHJRSKKMQSTJ-ZYHUDNBSSA-N 2 1 318.259 1.331 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001284072319 908429345 /nfs/dbraw/zinc/42/93/45/908429345.db2.gz RAVLBGMWSJVSBI-MJGOQNOKSA-N 2 1 317.477 1.999 20 30 DDEDMP C=C(Cl)C[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCC1 ZINC001376799084 919414608 /nfs/dbraw/zinc/41/46/08/919414608.db2.gz QXIQTKLSLPERBF-UHFFFAOYSA-N 2 1 315.845 1.090 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000592495162 355599928 /nfs/dbraw/zinc/59/99/28/355599928.db2.gz HZBHPWFNWQTCSA-IAGOWNOFSA-N 2 1 300.406 1.672 20 30 DDEDMP CC(C)C[N@@H+](C)CCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000593181738 355819156 /nfs/dbraw/zinc/81/91/56/355819156.db2.gz GHSPPBHIVKLPIR-INIZCTEOSA-N 2 1 302.422 1.652 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000596635931 356938169 /nfs/dbraw/zinc/93/81/69/356938169.db2.gz GYOCQNCFSOIGQB-SOUVJXGZSA-N 2 1 309.458 1.250 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000596635931 356938171 /nfs/dbraw/zinc/93/81/71/356938171.db2.gz GYOCQNCFSOIGQB-SOUVJXGZSA-N 2 1 309.458 1.250 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602577444 359052515 /nfs/dbraw/zinc/05/25/15/359052515.db2.gz UJGUUQHNDWOMGW-IRXDYDNUSA-N 2 1 314.433 1.646 20 30 DDEDMP C#CCCOc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000264946644 204292270 /nfs/dbraw/zinc/29/22/70/204292270.db2.gz IWCFTUMVASJBFH-KRWDZBQOSA-N 2 1 302.418 1.635 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424142692 286062009 /nfs/dbraw/zinc/06/20/09/286062009.db2.gz ISZSQAZOCQYPGN-OAGGEKHMSA-N 2 1 324.469 1.261 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000078545224 407033475 /nfs/dbraw/zinc/03/34/75/407033475.db2.gz RYYXBDWLOWGXMT-OAHLLOKOSA-N 2 1 320.437 1.832 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000125168803 407380949 /nfs/dbraw/zinc/38/09/49/407380949.db2.gz ZEGHZSALBMDYQQ-GDBMZVCRSA-N 2 1 320.481 1.951 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCOCC1 ZINC000178564802 407494248 /nfs/dbraw/zinc/49/42/48/407494248.db2.gz TWVPNCQNYWJGKU-CQSZACIVSA-N 2 1 320.437 1.068 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1cccs1 ZINC000267430304 407844952 /nfs/dbraw/zinc/84/49/52/407844952.db2.gz MIZLIIDDWWXKHU-WFASDCNBSA-N 2 1 310.467 1.344 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272982513 408021409 /nfs/dbraw/zinc/02/14/09/408021409.db2.gz RSQHUUXTGYLROA-INIZCTEOSA-N 2 1 304.438 1.314 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)CCc1ccccc1 ZINC000273349314 408163784 /nfs/dbraw/zinc/16/37/84/408163784.db2.gz PVQCHWRVYJXPSP-IAGOWNOFSA-N 2 1 318.465 1.369 20 30 DDEDMP Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1Cl ZINC000273460563 408209043 /nfs/dbraw/zinc/20/90/43/408209043.db2.gz HMCOABGCNTVVIN-UHFFFAOYSA-N 2 1 324.856 1.775 20 30 DDEDMP COc1cc(C)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000159356048 408403136 /nfs/dbraw/zinc/40/31/36/408403136.db2.gz VUUWVQFHNNQHPL-UHFFFAOYSA-N 2 1 320.437 1.130 20 30 DDEDMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC000161651054 408623369 /nfs/dbraw/zinc/62/33/69/408623369.db2.gz FSWRCWBVAHZKIO-WMLDXEAASA-N 2 1 313.449 1.994 20 30 DDEDMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC000161651054 408623371 /nfs/dbraw/zinc/62/33/71/408623371.db2.gz FSWRCWBVAHZKIO-WMLDXEAASA-N 2 1 313.449 1.994 20 30 DDEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)c1 ZINC000288676237 409173059 /nfs/dbraw/zinc/17/30/59/409173059.db2.gz IFEOOZKYBGVYOO-UHFFFAOYSA-N 2 1 305.470 1.914 20 30 DDEDMP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)c1 ZINC000288676237 409173062 /nfs/dbraw/zinc/17/30/62/409173062.db2.gz IFEOOZKYBGVYOO-UHFFFAOYSA-N 2 1 305.470 1.914 20 30 DDEDMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288774060 409176048 /nfs/dbraw/zinc/17/60/48/409176048.db2.gz VHVFNCRAGUIIAD-UHFFFAOYSA-N 2 1 313.396 1.575 20 30 DDEDMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288774060 409176051 /nfs/dbraw/zinc/17/60/51/409176051.db2.gz VHVFNCRAGUIIAD-UHFFFAOYSA-N 2 1 313.396 1.575 20 30 DDEDMP CCCNC(=[NH2+])NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000304751735 409640676 /nfs/dbraw/zinc/64/06/76/409640676.db2.gz JQFCBOZYHYDTOB-UHFFFAOYSA-N 2 1 309.483 1.978 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC000350918675 410011875 /nfs/dbraw/zinc/01/18/75/410011875.db2.gz MZUNMGFROQDLMH-SJORKVTESA-N 2 1 323.481 1.522 20 30 DDEDMP Cc1[nH+]ccn1CC[NH+]=C([O-])N1CCCC12CC[NH+](C)CC2 ZINC000329071522 410085368 /nfs/dbraw/zinc/08/53/68/410085368.db2.gz NVHICFQBMSJVFD-UHFFFAOYSA-N 2 1 305.426 1.666 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N(C)C ZINC000264146029 222325293 /nfs/dbraw/zinc/32/52/93/222325293.db2.gz XWFJWARCJJKDIM-IAGOWNOFSA-N 2 1 317.481 1.678 20 30 DDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@H]1CCC[N@H+]1C ZINC000262648382 222287629 /nfs/dbraw/zinc/28/76/29/222287629.db2.gz VRCGVSHLFQKHDM-ZDUSSCGKSA-N 2 1 304.394 1.175 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000267408588 222384047 /nfs/dbraw/zinc/38/40/47/222384047.db2.gz HSHFBWMCWVCPOP-ZBFHGGJFSA-N 2 1 304.438 1.590 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000424142958 228234942 /nfs/dbraw/zinc/23/49/42/228234942.db2.gz JCUPNOCUPGNEBC-IRXDYDNUSA-N 2 1 314.433 1.788 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)CC1 ZINC000491095035 421194194 /nfs/dbraw/zinc/19/41/94/421194194.db2.gz JDDTZBCBSMBXHB-SOLBZPMBSA-N 2 1 317.477 1.520 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000530335785 421595368 /nfs/dbraw/zinc/59/53/68/421595368.db2.gz XBJMPYDYBBDGIE-ILXRZTDVSA-N 2 1 315.421 1.717 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000530335785 421595370 /nfs/dbraw/zinc/59/53/70/421595370.db2.gz XBJMPYDYBBDGIE-ILXRZTDVSA-N 2 1 315.421 1.717 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000664016309 424342830 /nfs/dbraw/zinc/34/28/30/424342830.db2.gz NOSWLDOKCCITGA-INIZCTEOSA-N 2 1 308.470 1.763 20 30 DDEDMP CC[NH+]=C(NCc1c[nH]nc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262007157 276096107 /nfs/dbraw/zinc/09/61/07/276096107.db2.gz VWEBOAKXBZNSKI-SWLSCSKDSA-N 2 1 306.458 1.502 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000491462663 526820854 /nfs/dbraw/zinc/82/08/54/526820854.db2.gz JJRALGMNKLKDGV-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000491462663 526820857 /nfs/dbraw/zinc/82/08/57/526820857.db2.gz JJRALGMNKLKDGV-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491462663 526820859 /nfs/dbraw/zinc/82/08/59/526820859.db2.gz JJRALGMNKLKDGV-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000490680351 526917020 /nfs/dbraw/zinc/91/70/20/526917020.db2.gz ZKAAQKDTPOFYIQ-RDJZCZTQSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980219000 696710871 /nfs/dbraw/zinc/71/08/71/696710871.db2.gz WRKCTKIRGVRHDA-BBWFWOEESA-N 2 1 317.477 1.875 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC000980274175 696725112 /nfs/dbraw/zinc/72/51/12/696725112.db2.gz MIHWOGSAEWHNDB-ARFHVFGLSA-N 2 1 302.422 1.676 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980185183 696703267 /nfs/dbraw/zinc/70/32/67/696703267.db2.gz KYWUJHNYMMAHSN-RCCFBDPRSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813975 696927625 /nfs/dbraw/zinc/92/76/25/696927625.db2.gz SYKHFAJQDHKXDH-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813975 696927628 /nfs/dbraw/zinc/92/76/28/696927628.db2.gz SYKHFAJQDHKXDH-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981848612 696942411 /nfs/dbraw/zinc/94/24/11/696942411.db2.gz SIJLNHMCECSCTE-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848612 696942414 /nfs/dbraw/zinc/94/24/14/696942414.db2.gz SIJLNHMCECSCTE-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848612 696942416 /nfs/dbraw/zinc/94/24/16/696942416.db2.gz SIJLNHMCECSCTE-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC[NH+]=C(NC[C@H]1CCC[N@@H+](CC(C)C)C1)N1CCC(O)CC1 ZINC000155789272 696953787 /nfs/dbraw/zinc/95/37/87/696953787.db2.gz BAQZANHDTVHXLS-MRXNPFEDSA-N 2 1 324.513 1.777 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009225 697001098 /nfs/dbraw/zinc/00/10/98/697001098.db2.gz JPGJSYWYMKWKRM-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009225 697001100 /nfs/dbraw/zinc/00/11/00/697001100.db2.gz JPGJSYWYMKWKRM-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009225 697001102 /nfs/dbraw/zinc/00/11/02/697001102.db2.gz JPGJSYWYMKWKRM-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981421805 697093016 /nfs/dbraw/zinc/09/30/16/697093016.db2.gz MRLZSOFDIAZUSM-HZPDHXFCSA-N 2 1 323.400 1.531 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000981435664 697096308 /nfs/dbraw/zinc/09/63/08/697096308.db2.gz PVYMNIKLPNTBQR-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000981435664 697096296 /nfs/dbraw/zinc/09/62/96/697096296.db2.gz PVYMNIKLPNTBQR-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981435664 697096310 /nfs/dbraw/zinc/09/63/10/697096310.db2.gz PVYMNIKLPNTBQR-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000981435664 697096313 /nfs/dbraw/zinc/09/63/13/697096313.db2.gz PVYMNIKLPNTBQR-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000748747612 700132799 /nfs/dbraw/zinc/13/27/99/700132799.db2.gz QYJPXRIIGGIZBL-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000748747612 700132800 /nfs/dbraw/zinc/13/28/00/700132800.db2.gz QYJPXRIIGGIZBL-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])NCc1ccccc1OC ZINC000170905618 697351943 /nfs/dbraw/zinc/35/19/43/697351943.db2.gz SIUSHWNEVOKVON-UHFFFAOYSA-N 2 1 308.426 1.068 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1nc(C(C)C)no1 ZINC000303869078 698607578 /nfs/dbraw/zinc/60/75/78/698607578.db2.gz DOKVVJHNKPQWQO-ZDUSSCGKSA-N 2 1 322.457 1.514 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N(C)c1ccccc1 ZINC000303874836 698608548 /nfs/dbraw/zinc/60/85/48/698608548.db2.gz DDGRXUHQBLCIHM-WBVHZDCISA-N 2 1 317.481 1.900 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000781396054 698614570 /nfs/dbraw/zinc/61/45/70/698614570.db2.gz DLRNRLVSALWIJJ-NUJGCVRESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000781396054 698614572 /nfs/dbraw/zinc/61/45/72/698614572.db2.gz DLRNRLVSALWIJJ-NUJGCVRESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781396054 698614576 /nfs/dbraw/zinc/61/45/76/698614576.db2.gz DLRNRLVSALWIJJ-NUJGCVRESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781396054 698614579 /nfs/dbraw/zinc/61/45/79/698614579.db2.gz DLRNRLVSALWIJJ-NUJGCVRESA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989562966 698668558 /nfs/dbraw/zinc/66/85/58/698668558.db2.gz TYXPJBZQYFOAOG-UONOGXRCSA-N 2 1 315.845 1.040 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991071662 699221837 /nfs/dbraw/zinc/22/18/37/699221837.db2.gz ZCWKWZURRNUAHB-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991071662 699221841 /nfs/dbraw/zinc/22/18/41/699221841.db2.gz ZCWKWZURRNUAHB-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991071662 699221843 /nfs/dbraw/zinc/22/18/43/699221843.db2.gz ZCWKWZURRNUAHB-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000730279990 699506455 /nfs/dbraw/zinc/50/64/55/699506455.db2.gz WCYGWSAAYMHEBX-XYJFISCASA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000730279990 699506456 /nfs/dbraw/zinc/50/64/56/699506456.db2.gz WCYGWSAAYMHEBX-XYJFISCASA-N 2 1 305.466 1.711 20 30 DDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000879575621 706724078 /nfs/dbraw/zinc/72/40/78/706724078.db2.gz NLJGLJNBQBDTCO-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000879575621 706724081 /nfs/dbraw/zinc/72/40/81/706724081.db2.gz NLJGLJNBQBDTCO-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000879575621 706724084 /nfs/dbraw/zinc/72/40/84/706724084.db2.gz NLJGLJNBQBDTCO-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C#N)CC[C@H]21 ZINC000879575621 706724088 /nfs/dbraw/zinc/72/40/88/706724088.db2.gz NLJGLJNBQBDTCO-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C#C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000849045488 703614985 /nfs/dbraw/zinc/61/49/85/703614985.db2.gz KNCGFCDLICJZQC-INIZCTEOSA-N 2 1 300.406 1.197 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000819335514 704109170 /nfs/dbraw/zinc/10/91/70/704109170.db2.gz ZUHWSVBDCKHSPP-GOSISDBHSA-N 2 1 318.461 1.896 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000819335514 704109173 /nfs/dbraw/zinc/10/91/73/704109173.db2.gz ZUHWSVBDCKHSPP-GOSISDBHSA-N 2 1 318.461 1.896 20 30 DDEDMP C[N@@H+](CCCNC(=O)C#CC1CC[NH2+]CC1)C1CCCCC1 ZINC000852858465 704150456 /nfs/dbraw/zinc/15/04/56/704150456.db2.gz ASHJXXXOLIXQHX-UHFFFAOYSA-N 2 1 305.466 1.760 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876729787 705843954 /nfs/dbraw/zinc/84/39/54/705843954.db2.gz XFKLRARDZVTRAP-KURKYZTESA-N 2 1 324.428 1.488 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876729787 705843960 /nfs/dbraw/zinc/84/39/60/705843960.db2.gz XFKLRARDZVTRAP-KURKYZTESA-N 2 1 324.428 1.488 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000876748280 705855099 /nfs/dbraw/zinc/85/50/99/705855099.db2.gz AHOKFLVJKAXJAS-QGZVFWFLSA-N 2 1 312.417 1.346 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000876764237 705864796 /nfs/dbraw/zinc/86/47/96/705864796.db2.gz MBPNQVQAOYUBDZ-SRCQZFHVSA-N 2 1 312.417 1.344 20 30 DDEDMP CCC[N@@H+](CC)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876777596 705872733 /nfs/dbraw/zinc/87/27/33/705872733.db2.gz SCMVSDZZJBNQLS-KRWDZBQOSA-N 2 1 314.433 1.593 20 30 DDEDMP C=C(Br)Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000881428694 707254481 /nfs/dbraw/zinc/25/44/81/707254481.db2.gz YBKXNICIRODBII-UHFFFAOYSA-N 2 1 314.231 1.152 20 30 DDEDMP C[NH+](CCCO)Cc1cc(C#N)cc(C[N@@H+](C)CCCO)c1 ZINC000878555904 706426706 /nfs/dbraw/zinc/42/67/06/706426706.db2.gz JRLODIOPUIRYRC-UHFFFAOYSA-N 2 1 305.422 1.187 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000884065600 708124096 /nfs/dbraw/zinc/12/40/96/708124096.db2.gz TTWSHGGDUIDQSQ-QGZVFWFLSA-N 2 1 318.465 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000884065600 708124099 /nfs/dbraw/zinc/12/40/99/708124099.db2.gz TTWSHGGDUIDQSQ-QGZVFWFLSA-N 2 1 318.465 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000884075134 708127833 /nfs/dbraw/zinc/12/78/33/708127833.db2.gz NOHYJYNFLOIDKM-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000884075134 708127836 /nfs/dbraw/zinc/12/78/36/708127836.db2.gz NOHYJYNFLOIDKM-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000884075134 708127838 /nfs/dbraw/zinc/12/78/38/708127838.db2.gz NOHYJYNFLOIDKM-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000884075134 708127840 /nfs/dbraw/zinc/12/78/40/708127840.db2.gz NOHYJYNFLOIDKM-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000884074801 708127917 /nfs/dbraw/zinc/12/79/17/708127917.db2.gz BSHOIDUMWKDROG-MRXNPFEDSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000884074801 708127919 /nfs/dbraw/zinc/12/79/19/708127919.db2.gz BSHOIDUMWKDROG-MRXNPFEDSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000884200342 708185391 /nfs/dbraw/zinc/18/53/91/708185391.db2.gz ZODHEABXFYNFNS-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000884200342 708185393 /nfs/dbraw/zinc/18/53/93/708185393.db2.gz ZODHEABXFYNFNS-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000884210442 708192024 /nfs/dbraw/zinc/19/20/24/708192024.db2.gz ZUGSOIMYNQZGBR-KKUMJFAQSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000884210442 708192027 /nfs/dbraw/zinc/19/20/27/708192027.db2.gz ZUGSOIMYNQZGBR-KKUMJFAQSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000884210442 708192029 /nfs/dbraw/zinc/19/20/29/708192029.db2.gz ZUGSOIMYNQZGBR-KKUMJFAQSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000884210442 708192033 /nfs/dbraw/zinc/19/20/33/708192033.db2.gz ZUGSOIMYNQZGBR-KKUMJFAQSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000884210442 708192036 /nfs/dbraw/zinc/19/20/36/708192036.db2.gz ZUGSOIMYNQZGBR-KKUMJFAQSA-N 2 1 304.438 1.008 20 30 DDEDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884231951 708202289 /nfs/dbraw/zinc/20/22/89/708202289.db2.gz FFVRLCIUBPMLCU-SYGRHNPNSA-N 2 1 316.449 1.211 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC[NH+](C)CC1 ZINC000886572208 708778629 /nfs/dbraw/zinc/77/86/29/708778629.db2.gz CLGKECXBZGESQS-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000900349157 709549580 /nfs/dbraw/zinc/54/95/80/709549580.db2.gz LKXOFMCUXPOGCL-UHFFFAOYSA-N 2 1 321.490 1.943 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000890377010 709846250 /nfs/dbraw/zinc/84/62/50/709846250.db2.gz FUXUAENGGPXVCB-IRXDYDNUSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000890377010 709846252 /nfs/dbraw/zinc/84/62/52/709846252.db2.gz FUXUAENGGPXVCB-IRXDYDNUSA-N 2 1 318.465 1.354 20 30 DDEDMP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000903423387 711121938 /nfs/dbraw/zinc/12/19/38/711121938.db2.gz ULHKNALLALKTCZ-AWEZNQCLSA-N 2 1 320.824 1.499 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000913518065 713242912 /nfs/dbraw/zinc/24/29/12/713242912.db2.gz CJFHEVOXNWXLCJ-HNNXBMFYSA-N 2 1 307.825 1.624 20 30 DDEDMP CN(C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1cc(C[NH3+])ccn1 ZINC000906227615 712267655 /nfs/dbraw/zinc/26/76/55/712267655.db2.gz NRUOFYYZMIDSDO-QGZVFWFLSA-N 2 1 321.384 1.262 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000914341257 713381571 /nfs/dbraw/zinc/38/15/71/713381571.db2.gz NBWKYRYGCHBXMG-HOTGVXAUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000919527712 713612414 /nfs/dbraw/zinc/61/24/14/713612414.db2.gz AAWJWHSIZWMXKZ-KRWDZBQOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#C[C@@H]1CCCN(CC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886129 713949952 /nfs/dbraw/zinc/94/99/52/713949952.db2.gz RDXIUOJJOPLSMP-KZNAEPCWSA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@@H]1CCC[NH+]([C@H](C)CNC(=O)C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886129 713949955 /nfs/dbraw/zinc/94/99/55/713949955.db2.gz RDXIUOJJOPLSMP-KZNAEPCWSA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@@H]1CCC[NH+]([C@H](C)CNC(=O)C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886129 713949957 /nfs/dbraw/zinc/94/99/57/713949957.db2.gz RDXIUOJJOPLSMP-KZNAEPCWSA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@@H]1CCC[NH+](CC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886129 713949962 /nfs/dbraw/zinc/94/99/62/713949962.db2.gz RDXIUOJJOPLSMP-KZNAEPCWSA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@@H]1CCC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886129 713949966 /nfs/dbraw/zinc/94/99/66/713949966.db2.gz RDXIUOJJOPLSMP-KZNAEPCWSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CCC=C)C2)CC1 ZINC000957421997 715895004 /nfs/dbraw/zinc/89/50/04/715895004.db2.gz BUWSVNCTMFDMQU-UHFFFAOYSA-N 2 1 303.450 1.440 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC000958555689 716619443 /nfs/dbraw/zinc/61/94/43/716619443.db2.gz MIOHPBXVORSVFI-IAGOWNOFSA-N 2 1 323.481 1.092 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743448 716939977 /nfs/dbraw/zinc/93/99/77/716939977.db2.gz ACNJSGBLSIJERC-HZPDHXFCSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756521 716946631 /nfs/dbraw/zinc/94/66/31/716946631.db2.gz ADRWCJXJGHIJCK-BBWFWOEESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756521 716946636 /nfs/dbraw/zinc/94/66/36/716946636.db2.gz ADRWCJXJGHIJCK-BBWFWOEESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940756521 716946640 /nfs/dbraw/zinc/94/66/40/716946640.db2.gz ADRWCJXJGHIJCK-BBWFWOEESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164878 717119765 /nfs/dbraw/zinc/11/97/65/717119765.db2.gz YIRWKDXOMFFPFP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164878 717119766 /nfs/dbraw/zinc/11/97/66/717119766.db2.gz YIRWKDXOMFFPFP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164878 717119767 /nfs/dbraw/zinc/11/97/67/717119767.db2.gz YIRWKDXOMFFPFP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC000962275633 717384657 /nfs/dbraw/zinc/38/46/57/717384657.db2.gz WEMFANKEFWXIKE-TWMKSMIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962275633 717384661 /nfs/dbraw/zinc/38/46/61/717384661.db2.gz WEMFANKEFWXIKE-TWMKSMIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CCCC ZINC000962275633 717384663 /nfs/dbraw/zinc/38/46/63/717384663.db2.gz WEMFANKEFWXIKE-TWMKSMIVSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942174387 717525689 /nfs/dbraw/zinc/52/56/89/717525689.db2.gz WPBRQGFXBXMRKN-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC=C(C)C)C[C@H]32)CC1 ZINC000962773766 717583500 /nfs/dbraw/zinc/58/35/00/717583500.db2.gz JVYMNDKRKNTVSH-PIIMJCKOSA-N 2 1 315.461 1.344 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944169716 718265192 /nfs/dbraw/zinc/26/51/92/718265192.db2.gz QHIXCJVLDAJIOW-DZGCQCFKSA-N 2 1 300.406 1.221 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967401576 718871584 /nfs/dbraw/zinc/87/15/84/718871584.db2.gz DPYUPJBTIIQHFV-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967401576 718871588 /nfs/dbraw/zinc/87/15/88/718871588.db2.gz DPYUPJBTIIQHFV-GOEBONIOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779956 718906930 /nfs/dbraw/zinc/90/69/30/718906930.db2.gz WQIBFJKXNRWKJS-NXOAAHMSSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779956 718906932 /nfs/dbraw/zinc/90/69/32/718906932.db2.gz WQIBFJKXNRWKJS-NXOAAHMSSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779956 718906934 /nfs/dbraw/zinc/90/69/34/718906934.db2.gz WQIBFJKXNRWKJS-NXOAAHMSSA-N 2 1 305.466 1.541 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947852451 719290042 /nfs/dbraw/zinc/29/00/42/719290042.db2.gz JRDIILMBGHKMIP-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC(C)[N@H+](C)Cc1nn(-c2nccnc2C#N)c2c1CC[NH2+]C2 ZINC001164683498 719603254 /nfs/dbraw/zinc/60/32/54/719603254.db2.gz JHQNFPQIUNZGRA-UHFFFAOYSA-N 2 1 311.393 1.020 20 30 DDEDMP CC(C)[N@@H+](C)Cc1nn(-c2nccnc2C#N)c2c1CC[NH2+]C2 ZINC001164683498 719603261 /nfs/dbraw/zinc/60/32/61/719603261.db2.gz JHQNFPQIUNZGRA-UHFFFAOYSA-N 2 1 311.393 1.020 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948705608 719659289 /nfs/dbraw/zinc/65/92/89/719659289.db2.gz IFUKURPGNTWRAO-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948705608 719659293 /nfs/dbraw/zinc/65/92/93/719659293.db2.gz IFUKURPGNTWRAO-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948705608 719659299 /nfs/dbraw/zinc/65/92/99/719659299.db2.gz IFUKURPGNTWRAO-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948705608 719659302 /nfs/dbraw/zinc/65/93/02/719659302.db2.gz IFUKURPGNTWRAO-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)CC[C@@H]2C)CC1 ZINC000968682609 719733688 /nfs/dbraw/zinc/73/36/88/719733688.db2.gz SQNDEVSXNFWRCF-MAUKXSAKSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC000969014082 719924285 /nfs/dbraw/zinc/92/42/85/719924285.db2.gz PSHZLJIQKAWUML-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000949370180 720044601 /nfs/dbraw/zinc/04/46/01/720044601.db2.gz MPSGMLAYESKCIN-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC000949370180 720044605 /nfs/dbraw/zinc/04/46/05/720044605.db2.gz MPSGMLAYESKCIN-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000949370180 720044607 /nfs/dbraw/zinc/04/46/07/720044607.db2.gz MPSGMLAYESKCIN-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC000949370180 720044610 /nfs/dbraw/zinc/04/46/10/720044610.db2.gz MPSGMLAYESKCIN-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970427830 720758170 /nfs/dbraw/zinc/75/81/70/720758170.db2.gz JUUZVUQQVIGBQS-OAHLLOKOSA-N 2 1 313.445 1.474 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC000970712828 720903464 /nfs/dbraw/zinc/90/34/64/720903464.db2.gz UABWTAAVUARLLV-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC(C)C)C2)CC1 ZINC001027693769 738557719 /nfs/dbraw/zinc/55/77/19/738557719.db2.gz JDSMOGYFRZOZHQ-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001167240718 732856240 /nfs/dbraw/zinc/85/62/40/732856240.db2.gz PWCRZAPCLCJVLB-UHFFFAOYSA-N 2 1 307.482 1.864 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021645492 733398364 /nfs/dbraw/zinc/39/83/64/733398364.db2.gz LXZORPDOCPVPEV-SJORKVTESA-N 2 1 314.433 1.609 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001022589527 734624472 /nfs/dbraw/zinc/62/44/72/734624472.db2.gz YVLOFBSGEPAEHY-HLLBOEOZSA-N 2 1 303.450 1.654 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000173262719 735127913 /nfs/dbraw/zinc/12/79/13/735127913.db2.gz FOPVVWZBXUQQGC-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372554 735203150 /nfs/dbraw/zinc/20/31/50/735203150.db2.gz VEAIZVZBUASDNS-DOTOQJQBSA-N 2 1 305.466 1.733 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457634 735248565 /nfs/dbraw/zinc/24/85/65/735248565.db2.gz VQRAVGPYTJQEPF-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=C)C)CC1 ZINC001024812334 736108757 /nfs/dbraw/zinc/10/87/57/736108757.db2.gz NKAKZCLQVWULDP-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001025274611 736402805 /nfs/dbraw/zinc/40/28/05/736402805.db2.gz LBXCZUQNOQPKKF-HOTGVXAUSA-N 2 1 302.422 1.984 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025525627 736737755 /nfs/dbraw/zinc/73/77/55/736737755.db2.gz QJERENALOYQSLR-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001025630971 736797634 /nfs/dbraw/zinc/79/76/34/736797634.db2.gz XSJBAVLMZFGFQO-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001020236270 737005449 /nfs/dbraw/zinc/00/54/49/737005449.db2.gz XRRPKUSNQILICU-ZOBUZTSGSA-N 2 1 321.465 1.443 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099855 737116754 /nfs/dbraw/zinc/11/67/54/737116754.db2.gz ITCVDEWZXKAXIR-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099855 737116756 /nfs/dbraw/zinc/11/67/56/737116756.db2.gz ITCVDEWZXKAXIR-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099855 737116759 /nfs/dbraw/zinc/11/67/59/737116759.db2.gz ITCVDEWZXKAXIR-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263960 742285688 /nfs/dbraw/zinc/28/56/88/742285688.db2.gz KDZOJKZFXSMVET-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263960 742285692 /nfs/dbraw/zinc/28/56/92/742285692.db2.gz KDZOJKZFXSMVET-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040263960 742285694 /nfs/dbraw/zinc/28/56/94/742285694.db2.gz KDZOJKZFXSMVET-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001027442342 738299442 /nfs/dbraw/zinc/29/94/42/738299442.db2.gz DMPCFWPRTZXDBP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001027442342 738299445 /nfs/dbraw/zinc/29/94/45/738299445.db2.gz DMPCFWPRTZXDBP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001027442342 738299448 /nfs/dbraw/zinc/29/94/48/738299448.db2.gz DMPCFWPRTZXDBP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028546612 739651189 /nfs/dbraw/zinc/65/11/89/739651189.db2.gz BGHWSSOREAYEJK-OAHLLOKOSA-N 2 1 319.453 1.073 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587232 739700785 /nfs/dbraw/zinc/70/07/85/739700785.db2.gz HXBPAENMHRKZKV-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587232 739700791 /nfs/dbraw/zinc/70/07/91/739700791.db2.gz HXBPAENMHRKZKV-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587232 739700794 /nfs/dbraw/zinc/70/07/94/739700794.db2.gz HXBPAENMHRKZKV-DLBZAZTESA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590549 739718937 /nfs/dbraw/zinc/71/89/37/739718937.db2.gz AEECLYKLNYCDSP-GJZGRUSLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590549 739718943 /nfs/dbraw/zinc/71/89/43/739718943.db2.gz AEECLYKLNYCDSP-GJZGRUSLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001028811727 740070534 /nfs/dbraw/zinc/07/05/34/740070534.db2.gz QGRCJQNZBQHHFU-RBSFLKMASA-N 2 1 302.422 1.538 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)[C@H]1CC ZINC001087799101 740754436 /nfs/dbraw/zinc/75/44/36/740754436.db2.gz DKEAJLHKUCILFA-JKSUJKDBSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087799101 740754439 /nfs/dbraw/zinc/75/44/39/740754439.db2.gz DKEAJLHKUCILFA-JKSUJKDBSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087799101 740754441 /nfs/dbraw/zinc/75/44/41/740754441.db2.gz DKEAJLHKUCILFA-JKSUJKDBSA-N 2 1 314.433 1.754 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001087995170 740934709 /nfs/dbraw/zinc/93/47/09/740934709.db2.gz WXPDIGRADCMONT-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087995170 740934710 /nfs/dbraw/zinc/93/47/10/740934710.db2.gz WXPDIGRADCMONT-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]2C1 ZINC001087995170 740934711 /nfs/dbraw/zinc/93/47/11/740934711.db2.gz WXPDIGRADCMONT-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042321 740964988 /nfs/dbraw/zinc/96/49/88/740964988.db2.gz JBJOASQPUNFTIN-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC001088042321 740964989 /nfs/dbraw/zinc/96/49/89/740964989.db2.gz JBJOASQPUNFTIN-CVEARBPZSA-N 2 1 302.422 1.548 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053058 740971770 /nfs/dbraw/zinc/97/17/70/740971770.db2.gz SGWCACUUEDXWFL-SQNIBIBYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]2C1 ZINC001088077178 741000949 /nfs/dbraw/zinc/00/09/49/741000949.db2.gz MRYLYFDNBRYDIM-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077178 741000956 /nfs/dbraw/zinc/00/09/56/741000956.db2.gz MRYLYFDNBRYDIM-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@@H]2C1 ZINC001088077178 741000963 /nfs/dbraw/zinc/00/09/63/741000963.db2.gz MRYLYFDNBRYDIM-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088091379 741020404 /nfs/dbraw/zinc/02/04/04/741020404.db2.gz JQERFRFBKAGZAV-SJORKVTESA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140969 741058576 /nfs/dbraw/zinc/05/85/76/741058576.db2.gz OFCVYAIJJIWNEJ-SJORKVTESA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088140969 741058578 /nfs/dbraw/zinc/05/85/78/741058578.db2.gz OFCVYAIJJIWNEJ-SJORKVTESA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620914 742017696 /nfs/dbraw/zinc/01/76/96/742017696.db2.gz HHGSTQPFMWZSTK-QLFBSQMISA-N 2 1 302.422 1.916 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620914 742017702 /nfs/dbraw/zinc/01/77/02/742017702.db2.gz HHGSTQPFMWZSTK-QLFBSQMISA-N 2 1 302.422 1.916 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)[C@H]1C ZINC001088674850 742070238 /nfs/dbraw/zinc/07/02/38/742070238.db2.gz ZWPXZBHHZIQGNN-FMKPAKJESA-N 2 1 302.422 1.601 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088693011 742177425 /nfs/dbraw/zinc/17/74/25/742177425.db2.gz IJKOQYHSYAWHAO-IKGGRYGDSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CCN1CC[C@@H]1CNC(=O)c1ccn(-c2ccncc2)n1 ZINC001038504349 742799759 /nfs/dbraw/zinc/79/97/59/742799759.db2.gz YQRRZGIDOIXOPU-OAHLLOKOSA-N 2 1 309.373 1.095 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035705984 751793017 /nfs/dbraw/zinc/79/30/17/751793017.db2.gz INXLKUUBGMKSRA-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC)C1 ZINC001181763164 743332424 /nfs/dbraw/zinc/33/24/24/743332424.db2.gz AUICKMPQNBDYJS-ZIFCJYIRSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCC)C1 ZINC001181763164 743332433 /nfs/dbraw/zinc/33/24/33/743332433.db2.gz AUICKMPQNBDYJS-ZIFCJYIRSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035733126 751825575 /nfs/dbraw/zinc/82/55/75/751825575.db2.gz VKDSYXKWMBKFQD-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001183390822 743830043 /nfs/dbraw/zinc/83/00/43/743830043.db2.gz KGPYBTLWDCOICB-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035795614 751884376 /nfs/dbraw/zinc/88/43/76/751884376.db2.gz WYYKSAKYHWHPQS-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185171202 744170871 /nfs/dbraw/zinc/17/08/71/744170871.db2.gz USGHUSDULBCYAM-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185723586 744277351 /nfs/dbraw/zinc/27/73/51/744277351.db2.gz OQTJSLQRSHHQJV-CYBMUJFWSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC12CCOCC2 ZINC001186311446 744380035 /nfs/dbraw/zinc/38/00/35/744380035.db2.gz TUAOOUXXYBHJQV-JKSUJKDBSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480495 745221689 /nfs/dbraw/zinc/22/16/89/745221689.db2.gz APHZZSCVQNBPAK-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248313 745458046 /nfs/dbraw/zinc/45/80/46/745458046.db2.gz MCYIHHISWTWSLU-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357696 745625858 /nfs/dbraw/zinc/62/58/58/745625858.db2.gz KDGMAWAFPKIPFR-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026762 746257376 /nfs/dbraw/zinc/25/73/76/746257376.db2.gz KNOKBVPSXLDFHI-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046922693 746475329 /nfs/dbraw/zinc/47/53/29/746475329.db2.gz BPEVKNPNMKTKEV-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046922693 746475331 /nfs/dbraw/zinc/47/53/31/746475331.db2.gz BPEVKNPNMKTKEV-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046922693 746475335 /nfs/dbraw/zinc/47/53/35/746475335.db2.gz BPEVKNPNMKTKEV-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360881 752110790 /nfs/dbraw/zinc/11/07/90/752110790.db2.gz VEVODVWFNMTOOC-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785062 746703663 /nfs/dbraw/zinc/70/36/63/746703663.db2.gz AIAOUYYFXHDTIK-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785062 746703664 /nfs/dbraw/zinc/70/36/64/746703664.db2.gz AIAOUYYFXHDTIK-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785062 746703665 /nfs/dbraw/zinc/70/36/65/746703665.db2.gz AIAOUYYFXHDTIK-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389367 746773909 /nfs/dbraw/zinc/77/39/09/746773909.db2.gz PSECIALFCPEZKO-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389367 746773913 /nfs/dbraw/zinc/77/39/13/746773913.db2.gz PSECIALFCPEZKO-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389367 746773916 /nfs/dbraw/zinc/77/39/16/746773916.db2.gz PSECIALFCPEZKO-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203175152 746825707 /nfs/dbraw/zinc/82/57/07/746825707.db2.gz BINZYXGKPBIUTE-LSDHHAIUSA-N 2 1 302.422 1.785 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001196341132 746836801 /nfs/dbraw/zinc/83/68/01/746836801.db2.gz NFKCQTOJPQUYBF-UHFFFAOYSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196341132 746836809 /nfs/dbraw/zinc/83/68/09/746836809.db2.gz NFKCQTOJPQUYBF-UHFFFAOYSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001196341132 746836816 /nfs/dbraw/zinc/83/68/16/746836816.db2.gz NFKCQTOJPQUYBF-UHFFFAOYSA-N 2 1 311.470 1.454 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001089430988 746877824 /nfs/dbraw/zinc/87/78/24/746877824.db2.gz WHAYMVWEYMSDRU-MRXNPFEDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001007497572 752175187 /nfs/dbraw/zinc/17/51/87/752175187.db2.gz DEZKYKARHSLPSO-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007497572 752175189 /nfs/dbraw/zinc/17/51/89/752175189.db2.gz DEZKYKARHSLPSO-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001007497572 752175192 /nfs/dbraw/zinc/17/51/92/752175192.db2.gz DEZKYKARHSLPSO-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001089616256 747470065 /nfs/dbraw/zinc/47/00/65/747470065.db2.gz CZPAXXVPCSWFAT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616256 747470069 /nfs/dbraw/zinc/47/00/69/747470069.db2.gz CZPAXXVPCSWFAT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001089616256 747470074 /nfs/dbraw/zinc/47/00/74/747470074.db2.gz CZPAXXVPCSWFAT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001031740970 747631529 /nfs/dbraw/zinc/63/15/29/747631529.db2.gz PAZXBNQBLCPXLA-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2=CCCCC2)C1 ZINC001031740970 747631533 /nfs/dbraw/zinc/63/15/33/747631533.db2.gz PAZXBNQBLCPXLA-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071406 747693090 /nfs/dbraw/zinc/69/30/90/747693090.db2.gz UZGNBQKJTFMIBH-GVDBMIGSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199097425 747701802 /nfs/dbraw/zinc/70/18/02/747701802.db2.gz ZQHKOJGJVDGBAR-BRWVUGGUSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658516 748318331 /nfs/dbraw/zinc/31/83/31/748318331.db2.gz PDIXXCZQECZIPX-HOTGVXAUSA-N 2 1 307.438 1.006 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001201053164 748407838 /nfs/dbraw/zinc/40/78/38/748407838.db2.gz LNIGWPHMXWVGOS-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](F)CC)CC1 ZINC001201094741 748409384 /nfs/dbraw/zinc/40/93/84/748409384.db2.gz VOVVLKAVFMYUCY-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](F)CC)CC1 ZINC001201094741 748409386 /nfs/dbraw/zinc/40/93/86/748409386.db2.gz VOVVLKAVFMYUCY-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033145310 748554330 /nfs/dbraw/zinc/55/43/30/748554330.db2.gz HEHCGFZZGZPRRB-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145310 748554331 /nfs/dbraw/zinc/55/43/31/748554331.db2.gz HEHCGFZZGZPRRB-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033145310 748554333 /nfs/dbraw/zinc/55/43/33/748554333.db2.gz HEHCGFZZGZPRRB-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147579 748696433 /nfs/dbraw/zinc/69/64/33/748696433.db2.gz HYDKALXXUSFBGN-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202197906 748709901 /nfs/dbraw/zinc/70/99/01/748709901.db2.gz XTXSOHVTEFVQGS-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001110615561 748828402 /nfs/dbraw/zinc/82/84/02/748828402.db2.gz XXMQTUUBLMTTJC-FPCVCCKLSA-N 2 1 309.429 1.411 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 ZINC001033219551 748968926 /nfs/dbraw/zinc/96/89/26/748968926.db2.gz IQKUHEYIAHLNTH-ZDUSSCGKSA-N 2 1 306.410 1.459 20 30 DDEDMP C=C(C)CN1CC[C@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 ZINC001033219551 748968929 /nfs/dbraw/zinc/96/89/29/748968929.db2.gz IQKUHEYIAHLNTH-ZDUSSCGKSA-N 2 1 306.410 1.459 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114358342 749111392 /nfs/dbraw/zinc/11/13/92/749111392.db2.gz UKKAUGDUJZSHDL-RQJABVFESA-N 2 1 317.836 1.465 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114358342 749111396 /nfs/dbraw/zinc/11/13/96/749111396.db2.gz UKKAUGDUJZSHDL-RQJABVFESA-N 2 1 317.836 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039376021 761977660 /nfs/dbraw/zinc/97/76/60/761977660.db2.gz JLPOQWFCKBMLKC-SQNIBIBYSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996642602 749829911 /nfs/dbraw/zinc/82/99/11/749829911.db2.gz HVITWIWANPUEAS-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996642602 749829915 /nfs/dbraw/zinc/82/99/15/749829915.db2.gz HVITWIWANPUEAS-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)C2 ZINC001095499280 749973507 /nfs/dbraw/zinc/97/35/07/749973507.db2.gz XGIZRBSXJLIVDE-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001095499280 749973511 /nfs/dbraw/zinc/97/35/11/749973511.db2.gz XGIZRBSXJLIVDE-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001095499280 749973516 /nfs/dbraw/zinc/97/35/16/749973516.db2.gz XGIZRBSXJLIVDE-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001095499280 749973521 /nfs/dbraw/zinc/97/35/21/749973521.db2.gz XGIZRBSXJLIVDE-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399770 761999041 /nfs/dbraw/zinc/99/90/41/761999041.db2.gz UFPUVUUPPLSUGU-SJORKVTESA-N 2 1 315.461 1.703 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399770 761999043 /nfs/dbraw/zinc/99/90/43/761999043.db2.gz UFPUVUUPPLSUGU-SJORKVTESA-N 2 1 315.461 1.703 20 30 DDEDMP C#CCN1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033874753 750008781 /nfs/dbraw/zinc/00/87/81/750008781.db2.gz HQNILYOFKSYZEP-LSDHHAIUSA-N 2 1 300.406 1.002 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095529597 750013850 /nfs/dbraw/zinc/01/38/50/750013850.db2.gz XVBMVTBWPZYYDO-YVSFHVDLSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095529597 750013856 /nfs/dbraw/zinc/01/38/56/750013856.db2.gz XVBMVTBWPZYYDO-YVSFHVDLSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095529597 750013863 /nfs/dbraw/zinc/01/38/63/750013863.db2.gz XVBMVTBWPZYYDO-YVSFHVDLSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095529597 750013870 /nfs/dbraw/zinc/01/38/70/750013870.db2.gz XVBMVTBWPZYYDO-YVSFHVDLSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001034044394 750308793 /nfs/dbraw/zinc/30/87/93/750308793.db2.gz ALJKHBMDDYWUPS-GOSISDBHSA-N 2 1 315.461 1.278 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039460339 762051004 /nfs/dbraw/zinc/05/10/04/762051004.db2.gz LRKGQERGFHKOKI-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460339 762051015 /nfs/dbraw/zinc/05/10/15/762051015.db2.gz LRKGQERGFHKOKI-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460339 762051023 /nfs/dbraw/zinc/05/10/23/762051023.db2.gz LRKGQERGFHKOKI-BBWFWOEESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001095863265 750602906 /nfs/dbraw/zinc/60/29/06/750602906.db2.gz FTLJMCIGYFSFNW-PMPSAXMXSA-N 2 1 303.450 1.606 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107942489 750752300 /nfs/dbraw/zinc/75/23/00/750752300.db2.gz UBGNQKPBAROKCQ-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942489 750752308 /nfs/dbraw/zinc/75/23/08/750752308.db2.gz UBGNQKPBAROKCQ-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107942489 750752313 /nfs/dbraw/zinc/75/23/13/750752313.db2.gz UBGNQKPBAROKCQ-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107942489 750752319 /nfs/dbraw/zinc/75/23/19/750752319.db2.gz UBGNQKPBAROKCQ-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035228240 751307081 /nfs/dbraw/zinc/30/70/81/751307081.db2.gz GLCYCTPQCZTCAI-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035228240 751307084 /nfs/dbraw/zinc/30/70/84/751307084.db2.gz GLCYCTPQCZTCAI-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+]1CCC[C@H]1C)CC2 ZINC001035228240 751307091 /nfs/dbraw/zinc/30/70/91/751307091.db2.gz GLCYCTPQCZTCAI-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007745112 752308029 /nfs/dbraw/zinc/30/80/29/752308029.db2.gz KMGZRZHCYPKSEC-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007745112 752308037 /nfs/dbraw/zinc/30/80/37/752308037.db2.gz KMGZRZHCYPKSEC-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007745112 752308042 /nfs/dbraw/zinc/30/80/42/752308042.db2.gz KMGZRZHCYPKSEC-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001108421480 762136928 /nfs/dbraw/zinc/13/69/28/762136928.db2.gz MODYRWRYDFEQDA-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108421480 762136933 /nfs/dbraw/zinc/13/69/33/762136933.db2.gz MODYRWRYDFEQDA-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421480 762136937 /nfs/dbraw/zinc/13/69/37/762136937.db2.gz MODYRWRYDFEQDA-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421480 762136942 /nfs/dbraw/zinc/13/69/42/762136942.db2.gz MODYRWRYDFEQDA-WMZOPIPTSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000999198879 752639159 /nfs/dbraw/zinc/63/91/59/752639159.db2.gz DGVIDICFFYAKEJ-CABCVRRESA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001080754555 756084177 /nfs/dbraw/zinc/08/41/77/756084177.db2.gz PKQHHPOFFOOPLV-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080754555 756084185 /nfs/dbraw/zinc/08/41/85/756084185.db2.gz PKQHHPOFFOOPLV-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080754555 756084187 /nfs/dbraw/zinc/08/41/87/756084187.db2.gz PKQHHPOFFOOPLV-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001080754555 756084193 /nfs/dbraw/zinc/08/41/93/756084193.db2.gz PKQHHPOFFOOPLV-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210979 762441304 /nfs/dbraw/zinc/44/13/04/762441304.db2.gz SJGHXEASVJWDPQ-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210979 762441306 /nfs/dbraw/zinc/44/13/06/762441306.db2.gz SJGHXEASVJWDPQ-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210979 762441309 /nfs/dbraw/zinc/44/13/09/762441309.db2.gz SJGHXEASVJWDPQ-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621707 756420597 /nfs/dbraw/zinc/42/05/97/756420597.db2.gz JPMVYUUPRBNTTH-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621707 756420599 /nfs/dbraw/zinc/42/05/99/756420599.db2.gz JPMVYUUPRBNTTH-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015694883 756471441 /nfs/dbraw/zinc/47/14/41/756471441.db2.gz CNQACMFDICGPNJ-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015694883 756471443 /nfs/dbraw/zinc/47/14/43/756471443.db2.gz CNQACMFDICGPNJ-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015694883 756471445 /nfs/dbraw/zinc/47/14/45/756471445.db2.gz CNQACMFDICGPNJ-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015704961 756480362 /nfs/dbraw/zinc/48/03/62/756480362.db2.gz GNKODYXFQZNWKV-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015704961 756480364 /nfs/dbraw/zinc/48/03/64/756480364.db2.gz GNKODYXFQZNWKV-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282541 762475792 /nfs/dbraw/zinc/47/57/92/762475792.db2.gz WSTIERQGWMDBDG-LJQANCHMSA-N 2 1 322.412 1.896 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015910633 756644367 /nfs/dbraw/zinc/64/43/67/756644367.db2.gz FLBOZWAFECELTE-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015910633 756644369 /nfs/dbraw/zinc/64/43/69/756644369.db2.gz FLBOZWAFECELTE-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001016253380 756871112 /nfs/dbraw/zinc/87/11/12/756871112.db2.gz FSQWXGJWVPJMKP-ZWKOTPCHSA-N 2 1 311.429 1.180 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001016253380 756871120 /nfs/dbraw/zinc/87/11/20/756871120.db2.gz FSQWXGJWVPJMKP-ZWKOTPCHSA-N 2 1 311.429 1.180 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001016253380 756871126 /nfs/dbraw/zinc/87/11/26/756871126.db2.gz FSQWXGJWVPJMKP-ZWKOTPCHSA-N 2 1 311.429 1.180 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001016253380 756871132 /nfs/dbraw/zinc/87/11/32/756871132.db2.gz FSQWXGJWVPJMKP-ZWKOTPCHSA-N 2 1 311.429 1.180 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097219696 756987849 /nfs/dbraw/zinc/98/78/49/756987849.db2.gz AZPDRJAPVLOSRF-MLHJIOFPSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097219696 756987859 /nfs/dbraw/zinc/98/78/59/756987859.db2.gz AZPDRJAPVLOSRF-MLHJIOFPSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097219696 756987867 /nfs/dbraw/zinc/98/78/67/756987867.db2.gz AZPDRJAPVLOSRF-MLHJIOFPSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040381166 762516528 /nfs/dbraw/zinc/51/65/28/762516528.db2.gz VNIUPTZYTQKOFH-IEBWSBKVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001016791302 757355875 /nfs/dbraw/zinc/35/58/75/757355875.db2.gz MATKPEPTUDZNLJ-JKSUJKDBSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001016791302 757355886 /nfs/dbraw/zinc/35/58/86/757355886.db2.gz MATKPEPTUDZNLJ-JKSUJKDBSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016929221 757483493 /nfs/dbraw/zinc/48/34/93/757483493.db2.gz CHWCAPWOQSRKOY-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016974241 757522727 /nfs/dbraw/zinc/52/27/27/757522727.db2.gz KVNPWAYHGIUOFB-HNNXBMFYSA-N 2 1 300.406 1.186 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422292 757542554 /nfs/dbraw/zinc/54/25/54/757542554.db2.gz TVWMNQJUJFAPJL-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422292 757542557 /nfs/dbraw/zinc/54/25/57/757542557.db2.gz TVWMNQJUJFAPJL-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422292 757542561 /nfs/dbraw/zinc/54/25/61/757542561.db2.gz TVWMNQJUJFAPJL-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751358 757865221 /nfs/dbraw/zinc/86/52/21/757865221.db2.gz IKTDSYCUPWEDND-IAGOWNOFSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084751358 757865229 /nfs/dbraw/zinc/86/52/29/757865229.db2.gz IKTDSYCUPWEDND-IAGOWNOFSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752163 757867154 /nfs/dbraw/zinc/86/71/54/757867154.db2.gz WVZQRIXEZNGJSB-QZTJIDSGSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040532995 762581935 /nfs/dbraw/zinc/58/19/35/762581935.db2.gz ZYMIVJIYHHOVNO-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040532995 762581941 /nfs/dbraw/zinc/58/19/41/762581941.db2.gz ZYMIVJIYHHOVNO-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC=C)CC2)CC1 ZINC001052959264 758013443 /nfs/dbraw/zinc/01/34/43/758013443.db2.gz TVGSVHIKMSPPPK-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001017569448 758039409 /nfs/dbraw/zinc/03/94/09/758039409.db2.gz MEAUMTYEQPQEIX-VVLHAWIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001017569448 758039414 /nfs/dbraw/zinc/03/94/14/758039414.db2.gz MEAUMTYEQPQEIX-VVLHAWIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001017569448 758039421 /nfs/dbraw/zinc/03/94/21/758039421.db2.gz MEAUMTYEQPQEIX-VVLHAWIVSA-N 2 1 319.449 1.101 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001017659150 758127720 /nfs/dbraw/zinc/12/77/20/758127720.db2.gz PIHRWVJSZIPOPB-NCOADZHNSA-N 2 1 303.450 1.865 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310053 758719565 /nfs/dbraw/zinc/71/95/65/758719565.db2.gz DPDUEPYQVRFSPE-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001018310053 758719567 /nfs/dbraw/zinc/71/95/67/758719567.db2.gz DPDUEPYQVRFSPE-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040746548 762670090 /nfs/dbraw/zinc/67/00/90/762670090.db2.gz CRLKVWWCDVDAAO-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165711 759248461 /nfs/dbraw/zinc/24/84/61/759248461.db2.gz MYBMKUBKENDDPT-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165711 759248463 /nfs/dbraw/zinc/24/84/63/759248463.db2.gz MYBMKUBKENDDPT-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001054177260 759259236 /nfs/dbraw/zinc/25/92/36/759259236.db2.gz IEHOYCYQERLKRF-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085330924 759269433 /nfs/dbraw/zinc/26/94/33/759269433.db2.gz JSSPWOGYPFMJLL-USXIJHARSA-N 2 1 316.449 1.957 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054228770 759318659 /nfs/dbraw/zinc/31/86/59/759318659.db2.gz ZJMHDZDBHHOTGU-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228770 759318667 /nfs/dbraw/zinc/31/86/67/759318667.db2.gz ZJMHDZDBHHOTGU-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054228770 759318675 /nfs/dbraw/zinc/31/86/75/759318675.db2.gz ZJMHDZDBHHOTGU-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668600 759963879 /nfs/dbraw/zinc/96/38/79/759963879.db2.gz HEMOLEJLIJAZDN-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001098392512 760109180 /nfs/dbraw/zinc/10/91/80/760109180.db2.gz SVZYTSHLKPUNFD-QGZVFWFLSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782276 760219884 /nfs/dbraw/zinc/21/98/84/760219884.db2.gz QHQXTBJSKSDBTP-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085782276 760219893 /nfs/dbraw/zinc/21/98/93/760219893.db2.gz QHQXTBJSKSDBTP-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001085782276 760219898 /nfs/dbraw/zinc/21/98/98/760219898.db2.gz QHQXTBJSKSDBTP-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213086 760383336 /nfs/dbraw/zinc/38/33/36/760383336.db2.gz LDFSNSAFBKOCCH-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213086 760383343 /nfs/dbraw/zinc/38/33/43/760383343.db2.gz LDFSNSAFBKOCCH-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213086 760383351 /nfs/dbraw/zinc/38/33/51/760383351.db2.gz LDFSNSAFBKOCCH-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001046850585 767983416 /nfs/dbraw/zinc/98/34/16/767983416.db2.gz WYCACUPTPLVNJP-QFBILLFUSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046851075 767983657 /nfs/dbraw/zinc/98/36/57/767983657.db2.gz CDUCJHHHFNWQML-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046851075 767983660 /nfs/dbraw/zinc/98/36/60/767983660.db2.gz CDUCJHHHFNWQML-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046851075 767983662 /nfs/dbraw/zinc/98/36/62/767983662.db2.gz CDUCJHHHFNWQML-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046851075 767983666 /nfs/dbraw/zinc/98/36/66/767983666.db2.gz CDUCJHHHFNWQML-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CC3)C2)CC1 ZINC001046850538 767983990 /nfs/dbraw/zinc/98/39/90/767983990.db2.gz WADFGGOIXPJBIV-SFHVURJKSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001155314114 761021494 /nfs/dbraw/zinc/02/14/94/761021494.db2.gz PZPOWLKLDXXACS-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086390184 761531172 /nfs/dbraw/zinc/53/11/72/761531172.db2.gz GCZIXYIQRWAHCN-CNFALQKSSA-N 2 1 317.477 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001086390184 761531175 /nfs/dbraw/zinc/53/11/75/761531175.db2.gz GCZIXYIQRWAHCN-CNFALQKSSA-N 2 1 317.477 1.615 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039135344 761769405 /nfs/dbraw/zinc/76/94/05/761769405.db2.gz CJQZEENYYJENQT-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001039137874 761772189 /nfs/dbraw/zinc/77/21/89/761772189.db2.gz SZFMECWPMMFWPN-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039137874 761772193 /nfs/dbraw/zinc/77/21/93/761772193.db2.gz SZFMECWPMMFWPN-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001039137874 761772199 /nfs/dbraw/zinc/77/21/99/761772199.db2.gz SZFMECWPMMFWPN-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001001473079 762895402 /nfs/dbraw/zinc/89/54/02/762895402.db2.gz HRKPXFSZDBEYIF-SFHVURJKSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC=C(C)C)CC1 ZINC001001488841 762909274 /nfs/dbraw/zinc/90/92/74/762909274.db2.gz FQPOPDCFHHSCFW-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC=C(C)C)CC1 ZINC001001488841 762909282 /nfs/dbraw/zinc/90/92/82/762909282.db2.gz FQPOPDCFHHSCFW-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364573 762943608 /nfs/dbraw/zinc/94/36/08/762943608.db2.gz XDTAMPVNMBCPKD-INIZCTEOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041673738 763213018 /nfs/dbraw/zinc/21/30/18/763213018.db2.gz DDPNWZJEDCRRCH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041715949 763243369 /nfs/dbraw/zinc/24/33/69/763243369.db2.gz MXNWAKDBWXTWJA-SFHVURJKSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041715949 763243381 /nfs/dbraw/zinc/24/33/81/763243381.db2.gz MXNWAKDBWXTWJA-SFHVURJKSA-N 2 1 314.433 1.564 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001109114076 763350707 /nfs/dbraw/zinc/35/07/07/763350707.db2.gz XBTQWFRVBMHTET-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001109114076 763350718 /nfs/dbraw/zinc/35/07/18/763350718.db2.gz XBTQWFRVBMHTET-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001109114076 763350726 /nfs/dbraw/zinc/35/07/26/763350726.db2.gz XBTQWFRVBMHTET-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001109114076 763350737 /nfs/dbraw/zinc/35/07/37/763350737.db2.gz XBTQWFRVBMHTET-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042096511 763645890 /nfs/dbraw/zinc/64/58/90/763645890.db2.gz ZUFUFCDWXACQCS-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042096511 763645896 /nfs/dbraw/zinc/64/58/96/763645896.db2.gz ZUFUFCDWXACQCS-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042096511 763645905 /nfs/dbraw/zinc/64/59/05/763645905.db2.gz ZUFUFCDWXACQCS-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042133867 763690050 /nfs/dbraw/zinc/69/00/50/763690050.db2.gz MJFUHVPSXXFCHH-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235227 763796582 /nfs/dbraw/zinc/79/65/82/763796582.db2.gz TXMHBQGBDBPLQW-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235227 763796587 /nfs/dbraw/zinc/79/65/87/763796587.db2.gz TXMHBQGBDBPLQW-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235227 763796593 /nfs/dbraw/zinc/79/65/93/763796593.db2.gz TXMHBQGBDBPLQW-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256970 763829049 /nfs/dbraw/zinc/82/90/49/763829049.db2.gz BPZYLNQRXGWGRK-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)CC1 ZINC001050686798 763919231 /nfs/dbraw/zinc/91/92/31/763919231.db2.gz BHEDPBRSLZHBPV-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109714250 763970137 /nfs/dbraw/zinc/97/01/37/763970137.db2.gz DIMOZQSCUDYMMJ-TWMKSMIVSA-N 2 1 305.466 1.852 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H](C)O2 ZINC001131669300 768251035 /nfs/dbraw/zinc/25/10/35/768251035.db2.gz KYCHDHNMCXFHCT-CRAIPNDOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H](C)O2 ZINC001131669300 768251038 /nfs/dbraw/zinc/25/10/38/768251038.db2.gz KYCHDHNMCXFHCT-CRAIPNDOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H](C)O2 ZINC001131669300 768251042 /nfs/dbraw/zinc/25/10/42/768251042.db2.gz KYCHDHNMCXFHCT-CRAIPNDOSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044765167 765797044 /nfs/dbraw/zinc/79/70/44/765797044.db2.gz GNWWFCCMWTZVIT-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651852 766038604 /nfs/dbraw/zinc/03/86/04/766038604.db2.gz NQUNQFJRBOMZBH-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651852 766038608 /nfs/dbraw/zinc/03/86/08/766038608.db2.gz NQUNQFJRBOMZBH-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651852 766038611 /nfs/dbraw/zinc/03/86/11/766038611.db2.gz NQUNQFJRBOMZBH-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985400 766762592 /nfs/dbraw/zinc/76/25/92/766762592.db2.gz UDPJTPVDFYQSPT-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985400 766762598 /nfs/dbraw/zinc/76/25/98/766762598.db2.gz UDPJTPVDFYQSPT-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985400 766762601 /nfs/dbraw/zinc/76/26/01/766762601.db2.gz UDPJTPVDFYQSPT-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001130297781 767417734 /nfs/dbraw/zinc/41/77/34/767417734.db2.gz RIUKDIQWZKORMF-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047379979 768437175 /nfs/dbraw/zinc/43/71/75/768437175.db2.gz TZXIJNONANHABQ-HOTGVXAUSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047379979 768437180 /nfs/dbraw/zinc/43/71/80/768437180.db2.gz TZXIJNONANHABQ-HOTGVXAUSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132107050 768632172 /nfs/dbraw/zinc/63/21/72/768632172.db2.gz XGSZKZYEDXNUBN-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001048585611 769561810 /nfs/dbraw/zinc/56/18/10/769561810.db2.gz XLXHFMCXNOSXLP-ZMMAXQRCSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[N@H+](C1)CCC3)C2 ZINC001048585611 769561818 /nfs/dbraw/zinc/56/18/18/769561818.db2.gz XLXHFMCXNOSXLP-ZMMAXQRCSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001048585611 769561823 /nfs/dbraw/zinc/56/18/23/769561823.db2.gz XLXHFMCXNOSXLP-ZMMAXQRCSA-N 2 1 315.461 1.465 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133320133 769690668 /nfs/dbraw/zinc/69/06/68/769690668.db2.gz ZANVQNQNDMFRFT-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071600376 769692283 /nfs/dbraw/zinc/69/22/83/769692283.db2.gz LAJCQZJDHASKPX-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888098 770054186 /nfs/dbraw/zinc/05/41/86/770054186.db2.gz HYHVDVXILURUKH-YVSFHVDLSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888098 770054197 /nfs/dbraw/zinc/05/41/97/770054197.db2.gz HYHVDVXILURUKH-YVSFHVDLSA-N 2 1 301.434 1.027 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821112 770123406 /nfs/dbraw/zinc/12/34/06/770123406.db2.gz JMCWKWKFNGFAIJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821112 770123417 /nfs/dbraw/zinc/12/34/17/770123417.db2.gz JMCWKWKFNGFAIJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821112 770123426 /nfs/dbraw/zinc/12/34/26/770123426.db2.gz JMCWKWKFNGFAIJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821112 770123438 /nfs/dbraw/zinc/12/34/38/770123438.db2.gz JMCWKWKFNGFAIJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048975201 770197396 /nfs/dbraw/zinc/19/73/96/770197396.db2.gz RINLLINCTYXRLZ-IYBDPMFKSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008839 770245568 /nfs/dbraw/zinc/24/55/68/770245568.db2.gz RQIODMDEHRRMDR-LUKYLMHMSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008839 770245571 /nfs/dbraw/zinc/24/55/71/770245571.db2.gz RQIODMDEHRRMDR-LUKYLMHMSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@H]2C1 ZINC001049008839 770245577 /nfs/dbraw/zinc/24/55/77/770245577.db2.gz RQIODMDEHRRMDR-LUKYLMHMSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071931209 770303643 /nfs/dbraw/zinc/30/36/43/770303643.db2.gz QMJMFFPPXQCISW-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001133869621 770391545 /nfs/dbraw/zinc/39/15/45/770391545.db2.gz HVMIJJDUEOXPAE-IUODEOHRSA-N 2 1 318.396 1.101 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049171385 770495502 /nfs/dbraw/zinc/49/55/02/770495502.db2.gz OEBZAXNOBGVYQT-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049171385 770495509 /nfs/dbraw/zinc/49/55/09/770495509.db2.gz OEBZAXNOBGVYQT-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049171385 770495512 /nfs/dbraw/zinc/49/55/12/770495512.db2.gz OEBZAXNOBGVYQT-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049709250 771102375 /nfs/dbraw/zinc/10/23/75/771102375.db2.gz IAGHEQZGTMYEFA-BRWVUGGUSA-N 2 1 305.466 1.661 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049804301 771173696 /nfs/dbraw/zinc/17/36/96/771173696.db2.gz FBTRHWLNDXRPKC-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806904 771176107 /nfs/dbraw/zinc/17/61/07/771176107.db2.gz PNBPEPPRUHMKIW-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049892089 771238853 /nfs/dbraw/zinc/23/88/53/771238853.db2.gz ZIHQKKGAUVCJNN-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049892089 771238857 /nfs/dbraw/zinc/23/88/57/771238857.db2.gz ZIHQKKGAUVCJNN-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049892089 771238858 /nfs/dbraw/zinc/23/88/58/771238858.db2.gz ZIHQKKGAUVCJNN-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090571701 771998501 /nfs/dbraw/zinc/99/85/01/771998501.db2.gz BMJUJUHVAAMTOS-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073630987 773242553 /nfs/dbraw/zinc/24/25/53/773242553.db2.gz LPKVYMMELGDDKW-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073630987 773242560 /nfs/dbraw/zinc/24/25/60/773242560.db2.gz LPKVYMMELGDDKW-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073630987 773242565 /nfs/dbraw/zinc/24/25/65/773242565.db2.gz LPKVYMMELGDDKW-IRXDYDNUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001073630985 773243024 /nfs/dbraw/zinc/24/30/24/773243024.db2.gz LPKVYMMELGDDKW-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073630985 773243028 /nfs/dbraw/zinc/24/30/28/773243028.db2.gz LPKVYMMELGDDKW-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001073630985 773243032 /nfs/dbraw/zinc/24/30/32/773243032.db2.gz LPKVYMMELGDDKW-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001148625601 773556660 /nfs/dbraw/zinc/55/66/60/773556660.db2.gz GXYJDRWLJJUVMM-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001148798138 773604014 /nfs/dbraw/zinc/60/40/14/773604014.db2.gz YNRRNRQOWKLVKO-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001148798138 773604018 /nfs/dbraw/zinc/60/40/18/773604018.db2.gz YNRRNRQOWKLVKO-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001148798138 773604021 /nfs/dbraw/zinc/60/40/21/773604021.db2.gz YNRRNRQOWKLVKO-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001148798138 773604025 /nfs/dbraw/zinc/60/40/25/773604025.db2.gz YNRRNRQOWKLVKO-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272983 774038062 /nfs/dbraw/zinc/03/80/62/774038062.db2.gz KMPYNEUJKJTHKT-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272983 774038070 /nfs/dbraw/zinc/03/80/70/774038070.db2.gz KMPYNEUJKJTHKT-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272983 774038079 /nfs/dbraw/zinc/03/80/79/774038079.db2.gz KMPYNEUJKJTHKT-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093024691 774355935 /nfs/dbraw/zinc/35/59/35/774355935.db2.gz CGWHMHDEQDOOLF-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024691 774355940 /nfs/dbraw/zinc/35/59/40/774355940.db2.gz CGWHMHDEQDOOLF-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093024691 774355948 /nfs/dbraw/zinc/35/59/48/774355948.db2.gz CGWHMHDEQDOOLF-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001036735412 774429229 /nfs/dbraw/zinc/42/92/29/774429229.db2.gz JIZIUQOIQKNXJN-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794659 774643235 /nfs/dbraw/zinc/64/32/35/774643235.db2.gz ZDOBVBAIZWWTKM-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098845314 774692840 /nfs/dbraw/zinc/69/28/40/774692840.db2.gz RZTYNBOJDGYJLH-HPFXQQBRSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001098845314 774692844 /nfs/dbraw/zinc/69/28/44/774692844.db2.gz RZTYNBOJDGYJLH-HPFXQQBRSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098845314 774692847 /nfs/dbraw/zinc/69/28/47/774692847.db2.gz RZTYNBOJDGYJLH-HPFXQQBRSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099353992 774959236 /nfs/dbraw/zinc/95/92/36/774959236.db2.gz LESFIYBTUMPUNB-INIZCTEOSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099353992 774959238 /nfs/dbraw/zinc/95/92/38/774959238.db2.gz LESFIYBTUMPUNB-INIZCTEOSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099353992 774959242 /nfs/dbraw/zinc/95/92/42/774959242.db2.gz LESFIYBTUMPUNB-INIZCTEOSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036871478 775008667 /nfs/dbraw/zinc/00/86/67/775008667.db2.gz MHPHMQSZYMRSIN-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099521428 775015076 /nfs/dbraw/zinc/01/50/76/775015076.db2.gz RBXNWNRBPSWXJU-YVSFHVDLSA-N 2 1 317.477 1.683 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985413 775526496 /nfs/dbraw/zinc/52/64/96/775526496.db2.gz CCQKNUASDHVHMA-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094503639 775939473 /nfs/dbraw/zinc/93/94/73/775939473.db2.gz LSVJYUPSSGIUCH-SJLPKXTDSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCCN1CCC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1=O ZINC001172114795 776652637 /nfs/dbraw/zinc/65/26/37/776652637.db2.gz QNZPXNFISWPDHY-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001101065398 776872287 /nfs/dbraw/zinc/87/22/87/776872287.db2.gz OWEKUGQNNWWLBT-UHFFFAOYSA-N 2 1 313.445 1.626 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001101065398 776872299 /nfs/dbraw/zinc/87/22/99/776872299.db2.gz OWEKUGQNNWWLBT-UHFFFAOYSA-N 2 1 313.445 1.626 20 30 DDEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001101594519 777286253 /nfs/dbraw/zinc/28/62/53/777286253.db2.gz FQQGTSJYMUFIJP-HNNXBMFYSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150334572 777423373 /nfs/dbraw/zinc/42/33/73/777423373.db2.gz XJFQWRCWKRUAIZ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150334572 777423375 /nfs/dbraw/zinc/42/33/75/777423375.db2.gz XJFQWRCWKRUAIZ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001150334572 777423381 /nfs/dbraw/zinc/42/33/81/777423381.db2.gz XJFQWRCWKRUAIZ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175728865 777883042 /nfs/dbraw/zinc/88/30/42/777883042.db2.gz FPGLMQQSTGTIDF-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177088425 778441085 /nfs/dbraw/zinc/44/10/85/778441085.db2.gz LHXITPIEVUHRPP-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177088425 778441089 /nfs/dbraw/zinc/44/10/89/778441089.db2.gz LHXITPIEVUHRPP-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001177157103 778465303 /nfs/dbraw/zinc/46/53/03/778465303.db2.gz QMRIJTNGVUPSRB-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001177157103 778465307 /nfs/dbraw/zinc/46/53/07/778465307.db2.gz QMRIJTNGVUPSRB-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157103 778465308 /nfs/dbraw/zinc/46/53/08/778465308.db2.gz QMRIJTNGVUPSRB-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177157103 778465314 /nfs/dbraw/zinc/46/53/14/778465314.db2.gz QMRIJTNGVUPSRB-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)Cn1cc[nH+]c1C ZINC001177484686 778616810 /nfs/dbraw/zinc/61/68/10/778616810.db2.gz HSIKIBUIGKNKGO-UHFFFAOYSA-N 2 1 316.449 1.823 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103571058 778949695 /nfs/dbraw/zinc/94/96/95/778949695.db2.gz TWIYCELVYSHRSE-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891443 779212096 /nfs/dbraw/zinc/21/20/96/779212096.db2.gz SXKNVWMJZFEPSN-KKUMJFAQSA-N 2 1 300.406 1.363 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855827 779520286 /nfs/dbraw/zinc/52/02/86/779520286.db2.gz NWUAIOCGESGWMZ-YJBOKZPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179924614 779539926 /nfs/dbraw/zinc/53/99/26/779539926.db2.gz ATFSJOLBQKZPCI-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180136071 779619068 /nfs/dbraw/zinc/61/90/68/779619068.db2.gz OSJNUVAQVAFXOV-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1C ZINC001180274804 779690061 /nfs/dbraw/zinc/69/00/61/779690061.db2.gz WRMLOYXQTJLYPJ-UHFFFAOYSA-N 2 1 322.453 1.660 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](CC[C@H](C)F)C1CC1 ZINC001267327753 837835022 /nfs/dbraw/zinc/83/50/22/837835022.db2.gz ZBWAETKYQXXBET-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC[C@H](C)F)C1CC1 ZINC001267327753 837835032 /nfs/dbraw/zinc/83/50/32/837835032.db2.gz ZBWAETKYQXXBET-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC[C@H](C)F)C1CC1 ZINC001267327753 837835044 /nfs/dbraw/zinc/83/50/44/837835044.db2.gz ZBWAETKYQXXBET-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC[C@H](C)F)C1CC1 ZINC001267327753 837835052 /nfs/dbraw/zinc/83/50/52/837835052.db2.gz ZBWAETKYQXXBET-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC[C@H](C)F)C1CC1 ZINC001267327753 837835063 /nfs/dbraw/zinc/83/50/63/837835063.db2.gz ZBWAETKYQXXBET-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267252538 837672720 /nfs/dbraw/zinc/67/27/20/837672720.db2.gz RWGMIEFQTURRHF-UHFFFAOYSA-N 2 1 301.434 1.823 20 30 DDEDMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001271798843 844116477 /nfs/dbraw/zinc/11/64/77/844116477.db2.gz ZJQZJFVLAUKBGI-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266288343 836059549 /nfs/dbraw/zinc/05/95/49/836059549.db2.gz GCZPIBJOOVDUDR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266288343 836059558 /nfs/dbraw/zinc/05/95/58/836059558.db2.gz GCZPIBJOOVDUDR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266288343 836059564 /nfs/dbraw/zinc/05/95/64/836059564.db2.gz GCZPIBJOOVDUDR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266530526 836422176 /nfs/dbraw/zinc/42/21/76/836422176.db2.gz HJIOGKPUTUHDAV-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267061771 837270550 /nfs/dbraw/zinc/27/05/50/837270550.db2.gz SGYOWKHAGDLMQZ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267494370 838177129 /nfs/dbraw/zinc/17/71/29/838177129.db2.gz SNCOJUPBODCNDO-NVXWUHKLSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001267520534 838240093 /nfs/dbraw/zinc/24/00/93/838240093.db2.gz NZDJNZBPPDTCKQ-ZWKOTPCHSA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001267520534 838240102 /nfs/dbraw/zinc/24/01/02/838240102.db2.gz NZDJNZBPPDTCKQ-ZWKOTPCHSA-N 2 1 313.445 1.940 20 30 DDEDMP C=CCOCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001267740086 838806568 /nfs/dbraw/zinc/80/65/68/838806568.db2.gz STQNELWJLMUGLF-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267740086 838806586 /nfs/dbraw/zinc/80/65/86/838806586.db2.gz STQNELWJLMUGLF-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001267740086 838806601 /nfs/dbraw/zinc/80/66/01/838806601.db2.gz STQNELWJLMUGLF-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH2+]C[C@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001267855608 839085882 /nfs/dbraw/zinc/08/58/82/839085882.db2.gz DUGDNTGIRMUJPW-WMZOPIPTSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[NH2+]C[C@](C)(NC(=O)CC[NH+]1CCOCC1)C1CC1 ZINC001267862910 839095714 /nfs/dbraw/zinc/09/57/14/839095714.db2.gz XTQGDXYBKBHFKN-KRWDZBQOSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001268035124 839507269 /nfs/dbraw/zinc/50/72/69/839507269.db2.gz UMFZCEUOSXLHBA-MRXNPFEDSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269295361 841481909 /nfs/dbraw/zinc/48/19/09/841481909.db2.gz CYVOQEBVCBHXGS-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269295361 841481915 /nfs/dbraw/zinc/48/19/15/841481915.db2.gz CYVOQEBVCBHXGS-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(=C)C)C1 ZINC001326287683 861259283 /nfs/dbraw/zinc/25/92/83/861259283.db2.gz AYHMWRZXBHGFMC-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(=C)C)C1 ZINC001326287683 861259298 /nfs/dbraw/zinc/25/92/98/861259298.db2.gz AYHMWRZXBHGFMC-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001270234566 842408631 /nfs/dbraw/zinc/40/86/31/842408631.db2.gz SSSUVBCSKNQZQD-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001270261820 842434305 /nfs/dbraw/zinc/43/43/05/842434305.db2.gz WLXRAQWKWXEIAC-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)C[N@H+](C)CCC)C2)CC1 ZINC001270273713 842444790 /nfs/dbraw/zinc/44/47/90/842444790.db2.gz IWNACTOSEKZXFQ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCC1 ZINC001270427862 842569235 /nfs/dbraw/zinc/56/92/35/842569235.db2.gz RZFQIMGRNZZYBU-WBVHZDCISA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCCC1 ZINC001270427862 842569242 /nfs/dbraw/zinc/56/92/42/842569242.db2.gz RZFQIMGRNZZYBU-WBVHZDCISA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCCCCCN1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272901398 847612367 /nfs/dbraw/zinc/61/23/67/847612367.db2.gz IASCGUARQVGLCQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272901398 847612377 /nfs/dbraw/zinc/61/23/77/847612377.db2.gz IASCGUARQVGLCQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272901398 847612386 /nfs/dbraw/zinc/61/23/86/847612386.db2.gz IASCGUARQVGLCQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001272901398 847612395 /nfs/dbraw/zinc/61/23/95/847612395.db2.gz IASCGUARQVGLCQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001272901398 847612402 /nfs/dbraw/zinc/61/24/02/847612402.db2.gz IASCGUARQVGLCQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCOC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001272909353 847622019 /nfs/dbraw/zinc/62/20/19/847622019.db2.gz MJNAEXIMXHUFHM-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[N@H+]1CCOC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001272909353 847622022 /nfs/dbraw/zinc/62/20/22/847622022.db2.gz MJNAEXIMXHUFHM-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155227328 861870337 /nfs/dbraw/zinc/87/03/37/861870337.db2.gz ZFLPNWPJZBCKEV-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155227328 861870351 /nfs/dbraw/zinc/87/03/51/861870351.db2.gz ZFLPNWPJZBCKEV-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155227328 861870366 /nfs/dbraw/zinc/87/03/66/861870366.db2.gz ZFLPNWPJZBCKEV-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149848419 861941030 /nfs/dbraw/zinc/94/10/30/861941030.db2.gz MIDAIQWITZNJAH-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H](C)F)C[C@H]2C)CC1 ZINC001080998287 848724745 /nfs/dbraw/zinc/72/47/45/848724745.db2.gz XQFHTIFPBAQCPN-HLLBOEOZSA-N 2 1 323.456 1.516 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001149890497 861964355 /nfs/dbraw/zinc/96/43/55/861964355.db2.gz RIVDZMWHJUIULY-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001149890497 861964364 /nfs/dbraw/zinc/96/43/64/861964364.db2.gz RIVDZMWHJUIULY-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001149890497 861964368 /nfs/dbraw/zinc/96/43/68/861964368.db2.gz RIVDZMWHJUIULY-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001273277645 849324599 /nfs/dbraw/zinc/32/45/99/849324599.db2.gz WOWNXEDSTZOTCU-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCCC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273495209 851028923 /nfs/dbraw/zinc/02/89/23/851028923.db2.gz QKETUZCTGVFPJL-SFHVURJKSA-N 2 1 321.465 1.745 20 30 DDEDMP C#CCC[NH2+]C/C=C\CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001274154794 851980055 /nfs/dbraw/zinc/98/00/55/851980055.db2.gz VFEKMNHFWMNAEA-KTKRTIGZSA-N 2 1 305.466 1.925 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001274891741 852667767 /nfs/dbraw/zinc/66/77/67/852667767.db2.gz DACVFPIRKXHHPP-KDURUIRLSA-N 2 1 312.461 1.811 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001275100745 852805046 /nfs/dbraw/zinc/80/50/46/852805046.db2.gz QVRUBFJAFLLQPX-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001275135506 852831527 /nfs/dbraw/zinc/83/15/27/852831527.db2.gz KADJSGVXUXNEKF-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001275135506 852831530 /nfs/dbraw/zinc/83/15/30/852831530.db2.gz KADJSGVXUXNEKF-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001275285128 852954233 /nfs/dbraw/zinc/95/42/33/852954233.db2.gz YUVIJYVTIONQBQ-JTTJXQCZSA-N 2 1 323.456 1.707 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722751 862434241 /nfs/dbraw/zinc/43/42/41/862434241.db2.gz GJLJSFSPJIOAHP-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150722751 862434247 /nfs/dbraw/zinc/43/42/47/862434247.db2.gz GJLJSFSPJIOAHP-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cc(CN(C)C)on1 ZINC001275865345 853886658 /nfs/dbraw/zinc/88/66/58/853886658.db2.gz ISEVULDMFCCZCD-ZDUSSCGKSA-N 2 1 308.426 1.753 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001275865345 853886664 /nfs/dbraw/zinc/88/66/64/853886664.db2.gz ISEVULDMFCCZCD-ZDUSSCGKSA-N 2 1 308.426 1.753 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001275865345 853886670 /nfs/dbraw/zinc/88/66/70/853886670.db2.gz ISEVULDMFCCZCD-ZDUSSCGKSA-N 2 1 308.426 1.753 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277511 855406306 /nfs/dbraw/zinc/40/63/06/855406306.db2.gz VXVTWUNLWQMZSS-HZMVEIRTSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001276326066 855661410 /nfs/dbraw/zinc/66/14/10/855661410.db2.gz FJGRROHNCQJJBB-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001276326066 855661412 /nfs/dbraw/zinc/66/14/12/855661412.db2.gz FJGRROHNCQJJBB-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049556903 856971783 /nfs/dbraw/zinc/97/17/83/856971783.db2.gz DJHBFFOQJIOZKF-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049556903 856971787 /nfs/dbraw/zinc/97/17/87/856971787.db2.gz DJHBFFOQJIOZKF-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049556903 856971788 /nfs/dbraw/zinc/97/17/88/856971788.db2.gz DJHBFFOQJIOZKF-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596180 857034111 /nfs/dbraw/zinc/03/41/11/857034111.db2.gz SKYKYYBILZEZAG-HOTGVXAUSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596180 857034118 /nfs/dbraw/zinc/03/41/18/857034118.db2.gz SKYKYYBILZEZAG-HOTGVXAUSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001072850299 857797125 /nfs/dbraw/zinc/79/71/25/857797125.db2.gz VMTOQLZJMAVSKQ-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072850299 857797131 /nfs/dbraw/zinc/79/71/31/857797131.db2.gz VMTOQLZJMAVSKQ-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072850299 857797138 /nfs/dbraw/zinc/79/71/38/857797138.db2.gz VMTOQLZJMAVSKQ-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001072983220 857967044 /nfs/dbraw/zinc/96/70/44/857967044.db2.gz OJFSPQLQJYMCHF-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072983220 857967048 /nfs/dbraw/zinc/96/70/48/857967048.db2.gz OJFSPQLQJYMCHF-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001072983220 857967052 /nfs/dbraw/zinc/96/70/52/857967052.db2.gz OJFSPQLQJYMCHF-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050411 858048471 /nfs/dbraw/zinc/04/84/71/858048471.db2.gz YWLCFJQKJIPHAJ-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050411 858048480 /nfs/dbraw/zinc/04/84/80/858048480.db2.gz YWLCFJQKJIPHAJ-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050411 858048487 /nfs/dbraw/zinc/04/84/87/858048487.db2.gz YWLCFJQKJIPHAJ-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC001073083878 858081663 /nfs/dbraw/zinc/08/16/63/858081663.db2.gz MKPLLFCAMUPJOE-UHFFFAOYSA-N 2 1 321.384 1.048 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC001073083878 858081670 /nfs/dbraw/zinc/08/16/70/858081670.db2.gz MKPLLFCAMUPJOE-UHFFFAOYSA-N 2 1 321.384 1.048 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC#CC)CC1 ZINC001328799624 863233789 /nfs/dbraw/zinc/23/37/89/863233789.db2.gz XZKJGKFMDKOYHM-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP CC1(C#N)CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)C1 ZINC001157693703 864054857 /nfs/dbraw/zinc/05/48/57/864054857.db2.gz AUGITHQGQBLPJU-MRXNPFEDSA-N 2 1 324.428 1.080 20 30 DDEDMP CC1(C#N)CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)C1 ZINC001157693703 864054869 /nfs/dbraw/zinc/05/48/69/864054869.db2.gz AUGITHQGQBLPJU-MRXNPFEDSA-N 2 1 324.428 1.080 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(C(C)C)CCO1 ZINC001158385818 864617826 /nfs/dbraw/zinc/61/78/26/864617826.db2.gz ROMWNBPUOLOHMK-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001158385818 864617828 /nfs/dbraw/zinc/61/78/28/864617828.db2.gz ROMWNBPUOLOHMK-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001158385818 864617833 /nfs/dbraw/zinc/61/78/33/864617833.db2.gz ROMWNBPUOLOHMK-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001158385818 864617840 /nfs/dbraw/zinc/61/78/40/864617840.db2.gz ROMWNBPUOLOHMK-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC[C@H](C)F)CC1 ZINC001331030210 864789599 /nfs/dbraw/zinc/78/95/99/864789599.db2.gz UVZYNYNZYCZSQS-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC[C@H](C)F)CC1 ZINC001331030210 864789606 /nfs/dbraw/zinc/78/96/06/864789606.db2.gz UVZYNYNZYCZSQS-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC[C@H](C)F)CC1 ZINC001331030210 864789612 /nfs/dbraw/zinc/78/96/12/864789612.db2.gz UVZYNYNZYCZSQS-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC[C@H](C)F)CC1 ZINC001331030210 864789614 /nfs/dbraw/zinc/78/96/14/864789614.db2.gz UVZYNYNZYCZSQS-RDJZCZTQSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001331724590 865275244 /nfs/dbraw/zinc/27/52/44/865275244.db2.gz GUSVQLZOTNLLDC-GDBMZVCRSA-N 2 1 309.454 1.036 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225524731 881885062 /nfs/dbraw/zinc/88/50/62/881885062.db2.gz IWFNWJFOYGKFOC-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225524731 881885076 /nfs/dbraw/zinc/88/50/76/881885076.db2.gz IWFNWJFOYGKFOC-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCOC ZINC001332927407 866260015 /nfs/dbraw/zinc/26/00/15/866260015.db2.gz IHHAZOFEAHHZIK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)CCOC ZINC001332927407 866260039 /nfs/dbraw/zinc/26/00/39/866260039.db2.gz IHHAZOFEAHHZIK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)CCOC ZINC001332927407 866260054 /nfs/dbraw/zinc/26/00/54/866260054.db2.gz IHHAZOFEAHHZIK-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207294 866442085 /nfs/dbraw/zinc/44/20/85/866442085.db2.gz RWBJEJPOKMTKKI-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207294 866442087 /nfs/dbraw/zinc/44/20/87/866442087.db2.gz RWBJEJPOKMTKKI-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207294 866442089 /nfs/dbraw/zinc/44/20/89/866442089.db2.gz RWBJEJPOKMTKKI-WBVHZDCISA-N 2 1 305.466 1.899 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161212784 866443929 /nfs/dbraw/zinc/44/39/29/866443929.db2.gz AJJFYIWQHNDZKI-MRXNPFEDSA-N 2 1 303.450 1.490 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001324092155 867063553 /nfs/dbraw/zinc/06/35/53/867063553.db2.gz YXHCVAWJMJMZQK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)(COC)CC1 ZINC001162617285 867681124 /nfs/dbraw/zinc/68/11/24/867681124.db2.gz FAHWPGAOBCINBX-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001325055745 867725691 /nfs/dbraw/zinc/72/56/91/867725691.db2.gz VBDMAUWSKIIQTO-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001325055745 867725702 /nfs/dbraw/zinc/72/57/02/867725702.db2.gz VBDMAUWSKIIQTO-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001325055745 867725710 /nfs/dbraw/zinc/72/57/10/867725710.db2.gz VBDMAUWSKIIQTO-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001325055745 867725715 /nfs/dbraw/zinc/72/57/15/867725715.db2.gz VBDMAUWSKIIQTO-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1 ZINC001165545079 869636835 /nfs/dbraw/zinc/63/68/35/869636835.db2.gz BPJAVWYNDDHXCN-HOTGVXAUSA-N 2 1 323.456 1.708 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC[C@H](C)F)CC1 ZINC001165545079 869636840 /nfs/dbraw/zinc/63/68/40/869636840.db2.gz BPJAVWYNDDHXCN-HOTGVXAUSA-N 2 1 323.456 1.708 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CCF)C1 ZINC001317045364 870161100 /nfs/dbraw/zinc/16/11/00/870161100.db2.gz QOWAQNHORQNNFZ-HOTGVXAUSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CCF)C1 ZINC001317045364 870161106 /nfs/dbraw/zinc/16/11/06/870161106.db2.gz QOWAQNHORQNNFZ-HOTGVXAUSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCF)C1 ZINC001317045364 870161113 /nfs/dbraw/zinc/16/11/13/870161113.db2.gz QOWAQNHORQNNFZ-HOTGVXAUSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCF)C1 ZINC001317045364 870161118 /nfs/dbraw/zinc/16/11/18/870161118.db2.gz QOWAQNHORQNNFZ-HOTGVXAUSA-N 2 1 309.429 1.224 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001166708096 870180410 /nfs/dbraw/zinc/18/04/10/870180410.db2.gz MAWKZSMIJAWNMI-RHSMWYFYSA-N 2 1 314.433 1.352 20 30 DDEDMP C=CC[NH2+]CCc1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001317375446 870731959 /nfs/dbraw/zinc/73/19/59/870731959.db2.gz NYMUEUKYNKYNEX-UHFFFAOYSA-N 2 1 312.417 1.826 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=C)Cl)CC1 ZINC001205479320 871573593 /nfs/dbraw/zinc/57/35/93/871573593.db2.gz GHURWHSBZODZQE-INIZCTEOSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=C)Cl)CC1 ZINC001205479320 871573607 /nfs/dbraw/zinc/57/36/07/871573607.db2.gz GHURWHSBZODZQE-INIZCTEOSA-N 2 1 323.868 1.665 20 30 DDEDMP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316883451 871817272 /nfs/dbraw/zinc/81/72/72/871817272.db2.gz YNVXWVBJVZORAL-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317045264 871912098 /nfs/dbraw/zinc/91/20/98/871912098.db2.gz POCOOKNNRWTNPO-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317045264 871912110 /nfs/dbraw/zinc/91/21/10/871912110.db2.gz POCOOKNNRWTNPO-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317045264 871912122 /nfs/dbraw/zinc/91/21/22/871912122.db2.gz POCOOKNNRWTNPO-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001318726417 872228324 /nfs/dbraw/zinc/22/83/24/872228324.db2.gz IINVNHJCUNINNS-AEFFLSMTSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001318726417 872228337 /nfs/dbraw/zinc/22/83/37/872228337.db2.gz IINVNHJCUNINNS-AEFFLSMTSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001316950968 872453022 /nfs/dbraw/zinc/45/30/22/872453022.db2.gz GZEQWFVJSYDBFC-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP N#Cc1ccc(F)c(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)c1 ZINC001206625245 872483074 /nfs/dbraw/zinc/48/30/74/872483074.db2.gz JQORGNUZOJXNIT-NSHDSACASA-N 2 1 307.354 1.439 20 30 DDEDMP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001343426593 872620569 /nfs/dbraw/zinc/62/05/69/872620569.db2.gz YKVFFQSDBFONAZ-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207398122 873234652 /nfs/dbraw/zinc/23/46/52/873234652.db2.gz WYKIJSWSICUPFQ-KRWDZBQOSA-N 2 1 318.465 1.864 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)C1CC[NH+](C)CC1 ZINC001346802636 873902461 /nfs/dbraw/zinc/90/24/61/873902461.db2.gz QSMPBULMZSFHNT-HYVNUMGLSA-N 2 1 318.465 1.066 20 30 DDEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491929 874187403 /nfs/dbraw/zinc/18/74/03/874187403.db2.gz AZTSGGIPKGCXHB-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491929 874187406 /nfs/dbraw/zinc/18/74/06/874187406.db2.gz AZTSGGIPKGCXHB-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C[N@H+]2C1 ZINC001347617678 874214023 /nfs/dbraw/zinc/21/40/23/874214023.db2.gz OUQKHZONUKUBBN-KFWWJZLASA-N 2 1 304.438 1.211 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210134287 875240189 /nfs/dbraw/zinc/24/01/89/875240189.db2.gz WWBXRJUNKWBGHO-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001378830384 875725977 /nfs/dbraw/zinc/72/59/77/875725977.db2.gz FHAKCIYWKGXHBN-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327268 875897777 /nfs/dbraw/zinc/89/77/77/875897777.db2.gz FKRVMJGKARCYLQ-MWDXBVQZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327268 875897791 /nfs/dbraw/zinc/89/77/91/875897791.db2.gz FKRVMJGKARCYLQ-MWDXBVQZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001213327268 875897807 /nfs/dbraw/zinc/89/78/07/875897807.db2.gz FKRVMJGKARCYLQ-MWDXBVQZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224509 878835841 /nfs/dbraw/zinc/83/58/41/878835841.db2.gz QNJSCEPEWPPYKX-CABCVRRESA-N 2 1 321.421 1.082 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001220224509 878835849 /nfs/dbraw/zinc/83/58/49/878835849.db2.gz QNJSCEPEWPPYKX-CABCVRRESA-N 2 1 321.421 1.082 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1 ZINC001220600000 879128767 /nfs/dbraw/zinc/12/87/67/879128767.db2.gz WUIYAXXXRUIPMF-BBWFWOEESA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220600000 879128778 /nfs/dbraw/zinc/12/87/78/879128778.db2.gz WUIYAXXXRUIPMF-BBWFWOEESA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220600000 879128796 /nfs/dbraw/zinc/12/87/96/879128796.db2.gz WUIYAXXXRUIPMF-BBWFWOEESA-N 2 1 323.481 1.234 20 30 DDEDMP N#Cc1c(Cl)cccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497485 880511413 /nfs/dbraw/zinc/51/14/13/880511413.db2.gz MNOIFFMQHJYRHU-HOTGVXAUSA-N 2 1 304.825 1.737 20 30 DDEDMP C=CCOc1cccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1 ZINC001231625233 885766213 /nfs/dbraw/zinc/76/62/13/885766213.db2.gz QFWSECZFYDMELE-UHFFFAOYSA-N 2 1 303.450 1.931 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234346616 887889314 /nfs/dbraw/zinc/88/93/14/887889314.db2.gz ZMMGLLTZHLNOEM-IRXDYDNUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277941261 888600679 /nfs/dbraw/zinc/60/06/79/888600679.db2.gz NAHUUBZPAQSDFJ-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@@H+](Cc2ccccc2)C[C@H]1C(=O)OC ZINC001236157286 889120986 /nfs/dbraw/zinc/12/09/86/889120986.db2.gz DICGHDIWKQYQFA-KRWDZBQOSA-N 2 1 317.433 1.121 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+](Cc2ccccc2)C[C@H]1C(=O)OC ZINC001236157286 889120989 /nfs/dbraw/zinc/12/09/89/889120989.db2.gz DICGHDIWKQYQFA-KRWDZBQOSA-N 2 1 317.433 1.121 20 30 DDEDMP N#Cc1cc(-c2cc(N3CC[NH2+]CC3)ccn2)cc(C2C[NH2+]C2)c1 ZINC001240351483 890909786 /nfs/dbraw/zinc/90/97/86/890909786.db2.gz RLGZBVVNYSIGFS-UHFFFAOYSA-N 2 1 319.412 1.717 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCC(=O)OCC ZINC001246307082 892528845 /nfs/dbraw/zinc/52/88/45/892528845.db2.gz ZRVHKGRKUWVYGH-KBPBESRZSA-N 2 1 314.426 1.535 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001278451135 892654792 /nfs/dbraw/zinc/65/47/92/892654792.db2.gz HGVBGSGPMKZANX-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278451135 892654796 /nfs/dbraw/zinc/65/47/96/892654796.db2.gz HGVBGSGPMKZANX-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278451135 892654800 /nfs/dbraw/zinc/65/48/00/892654800.db2.gz HGVBGSGPMKZANX-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001252468355 895181625 /nfs/dbraw/zinc/18/16/25/895181625.db2.gz MZRGOKVPTUMFJQ-CEXWTWQISA-N 2 1 316.445 1.614 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252468355 895181635 /nfs/dbraw/zinc/18/16/35/895181635.db2.gz MZRGOKVPTUMFJQ-CEXWTWQISA-N 2 1 316.445 1.614 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001252468355 895181642 /nfs/dbraw/zinc/18/16/42/895181642.db2.gz MZRGOKVPTUMFJQ-CEXWTWQISA-N 2 1 316.445 1.614 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001279012465 897834843 /nfs/dbraw/zinc/83/48/43/897834843.db2.gz NSJJJFKJTNBWRD-KGLIPLIRSA-N 2 1 318.421 1.200 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001390462074 899458308 /nfs/dbraw/zinc/45/83/08/899458308.db2.gz RCFGVNWRCPQNEY-BLLLJJGKSA-N 2 1 318.396 1.386 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001263886071 900799197 /nfs/dbraw/zinc/79/91/97/900799197.db2.gz XDTDUPOYXWRRHI-ZWKOTPCHSA-N 2 1 313.445 1.546 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391107509 900920573 /nfs/dbraw/zinc/92/05/73/900920573.db2.gz TVRVJVIPRHFYPX-KBPBESRZSA-N 2 1 301.862 1.763 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001391107509 900920581 /nfs/dbraw/zinc/92/05/81/900920581.db2.gz TVRVJVIPRHFYPX-KBPBESRZSA-N 2 1 301.862 1.763 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001265175614 901667404 /nfs/dbraw/zinc/66/74/04/901667404.db2.gz JORDISOZTCLUSH-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001265175614 901667415 /nfs/dbraw/zinc/66/74/15/901667415.db2.gz JORDISOZTCLUSH-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001265675156 902288898 /nfs/dbraw/zinc/28/88/98/902288898.db2.gz BKOZNRNMFBGJCQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266071182 902882730 /nfs/dbraw/zinc/88/27/30/902882730.db2.gz JXIZAVDBSFCIOA-CVEARBPZSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266144573 903018873 /nfs/dbraw/zinc/01/88/73/903018873.db2.gz VISDSYSPKMRYCG-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)C3CCCCC3)C[C@H]2C1 ZINC001279380725 903244889 /nfs/dbraw/zinc/24/48/89/903244889.db2.gz TYDJQOPNUWGXIL-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001279380725 903244900 /nfs/dbraw/zinc/24/49/00/903244900.db2.gz TYDJQOPNUWGXIL-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCO1 ZINC001280629897 903862301 /nfs/dbraw/zinc/86/23/01/903862301.db2.gz NALFJFNARHMNNQ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)O2 ZINC001280930653 904200424 /nfs/dbraw/zinc/20/04/24/904200424.db2.gz AVMUTBGBXZDTMP-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001281263703 904630548 /nfs/dbraw/zinc/63/05/48/904630548.db2.gz CPRHKFDGHSJPPO-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CC[NH2+]CC1(O)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001281634952 905106452 /nfs/dbraw/zinc/10/64/52/905106452.db2.gz PQYIIUWEZWQPDF-UHFFFAOYSA-N 2 1 320.437 1.101 20 30 DDEDMP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001282193585 905606885 /nfs/dbraw/zinc/60/68/85/905606885.db2.gz REFWEWJNDAAPKI-IAGOWNOFSA-N 2 1 315.461 1.667 20 30 DDEDMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC#Cc1ccccc1 ZINC001282449939 905792799 /nfs/dbraw/zinc/79/27/99/905792799.db2.gz QOHIYWUAGVPSPY-INIZCTEOSA-N 2 1 301.434 1.426 20 30 DDEDMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)CC#Cc1ccccc1 ZINC001282449939 905792813 /nfs/dbraw/zinc/79/28/13/905792813.db2.gz QOHIYWUAGVPSPY-INIZCTEOSA-N 2 1 301.434 1.426 20 30 DDEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001377758655 922918093 /nfs/dbraw/zinc/91/80/93/922918093.db2.gz KQRJJXFZWFJCCR-CQSZACIVSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001377758655 922918106 /nfs/dbraw/zinc/91/81/06/922918106.db2.gz KQRJJXFZWFJCCR-CQSZACIVSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001377758655 922918114 /nfs/dbraw/zinc/91/81/14/922918114.db2.gz KQRJJXFZWFJCCR-CQSZACIVSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377975508 923564337 /nfs/dbraw/zinc/56/43/37/923564337.db2.gz YBXKIQWAPDYVFP-CYBMUJFWSA-N 2 1 301.862 1.765 20 30 DDEDMP COc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C#N ZINC000174374853 198326511 /nfs/dbraw/zinc/32/65/11/198326511.db2.gz XPDKKHOPIQQAEO-KRWDZBQOSA-N 2 1 317.433 1.893 20 30 DDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@H]1CC[N@@H+](C)C1 ZINC000079331149 353558951 /nfs/dbraw/zinc/55/89/51/353558951.db2.gz DTJPHKLWWZQFSM-CYBMUJFWSA-N 2 1 304.394 1.032 20 30 DDEDMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092806265 353871001 /nfs/dbraw/zinc/87/10/01/353871001.db2.gz KSOJAJPNWOUCQW-HNNXBMFYSA-N 2 1 306.454 1.697 20 30 DDEDMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000092806265 353871003 /nfs/dbraw/zinc/87/10/03/353871003.db2.gz KSOJAJPNWOUCQW-HNNXBMFYSA-N 2 1 306.454 1.697 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000320909523 354529773 /nfs/dbraw/zinc/52/97/73/354529773.db2.gz UWXRAMSMCOIKFB-KBAYOESNSA-N 2 1 315.417 1.514 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000321659741 354533630 /nfs/dbraw/zinc/53/36/30/354533630.db2.gz RWIGOZLEAQFULZ-PBHICJAKSA-N 2 1 315.417 1.372 20 30 DDEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599278391 357871615 /nfs/dbraw/zinc/87/16/15/357871615.db2.gz BWPFUANKVLGNDI-KRWDZBQOSA-N 2 1 323.481 1.862 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC[N@@H+]1C ZINC000599316681 357890235 /nfs/dbraw/zinc/89/02/35/357890235.db2.gz ORHOXKFBZXRFPB-PMPSAXMXSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC[N@H+]1C ZINC000599316681 357890238 /nfs/dbraw/zinc/89/02/38/357890238.db2.gz ORHOXKFBZXRFPB-PMPSAXMXSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC[NH+]1C ZINC000599316681 357890242 /nfs/dbraw/zinc/89/02/42/357890242.db2.gz ORHOXKFBZXRFPB-PMPSAXMXSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC[NH+]1C ZINC000599316681 357890246 /nfs/dbraw/zinc/89/02/46/357890246.db2.gz ORHOXKFBZXRFPB-PMPSAXMXSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC#CC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000342122617 297290954 /nfs/dbraw/zinc/29/09/54/297290954.db2.gz GMXXOQQCMLWZNV-TYTBLDAYSA-N 2 1 308.466 1.457 20 30 DDEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600721252 358295210 /nfs/dbraw/zinc/29/52/10/358295210.db2.gz UPOZPFAVVXSRJH-HNNXBMFYSA-N 2 1 306.410 1.243 20 30 DDEDMP CC[NH+](C)CCNc1nc(NCC[N@H+](C)CC)ccc1C#N ZINC000195213185 201360250 /nfs/dbraw/zinc/36/02/50/201360250.db2.gz IKFPOMRAXSFKRW-UHFFFAOYSA-N 2 1 304.442 1.680 20 30 DDEDMP CC[NH+](C)CCNc1ccc(C#N)c(NCC[N@H+](C)CC)n1 ZINC000195213185 201360254 /nfs/dbraw/zinc/36/02/54/201360254.db2.gz IKFPOMRAXSFKRW-UHFFFAOYSA-N 2 1 304.442 1.680 20 30 DDEDMP CC[NH+](C)CCNc1ccc(C#N)c(NCC[N@@H+](C)CC)n1 ZINC000195213185 201360257 /nfs/dbraw/zinc/36/02/57/201360257.db2.gz IKFPOMRAXSFKRW-UHFFFAOYSA-N 2 1 304.442 1.680 20 30 DDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N2CCC(C)CC2)CC1 ZINC000122473370 407302052 /nfs/dbraw/zinc/30/20/52/407302052.db2.gz HJURASXJPCRHFZ-UHFFFAOYSA-N 2 1 309.502 1.451 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000287551659 409054212 /nfs/dbraw/zinc/05/42/12/409054212.db2.gz PTQCKISHYVMKDX-WBVHZDCISA-N 2 1 324.432 1.792 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000287551659 409054214 /nfs/dbraw/zinc/05/42/14/409054214.db2.gz PTQCKISHYVMKDX-WBVHZDCISA-N 2 1 324.432 1.792 20 30 DDEDMP C[C@H]1C[NH+]=C(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)N1 ZINC000284934250 409372642 /nfs/dbraw/zinc/37/26/42/409372642.db2.gz CTMUXGYYHAAZDV-RDJZCZTQSA-N 2 1 315.465 1.303 20 30 DDEDMP C[C@H]1C[NH+]=C(NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)N1 ZINC000284934250 409372647 /nfs/dbraw/zinc/37/26/47/409372647.db2.gz CTMUXGYYHAAZDV-RDJZCZTQSA-N 2 1 315.465 1.303 20 30 DDEDMP C[C@H]1C[NH+]=C(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)N1 ZINC000284934250 409372654 /nfs/dbraw/zinc/37/26/54/409372654.db2.gz CTMUXGYYHAAZDV-RDJZCZTQSA-N 2 1 315.465 1.303 20 30 DDEDMP CC(C)(O)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328935845 410012390 /nfs/dbraw/zinc/01/23/90/410012390.db2.gz FTEUFBONQOHIHL-HNNXBMFYSA-N 2 1 309.454 1.805 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOCCC#N)CC1 ZINC000338946252 410051218 /nfs/dbraw/zinc/05/12/18/410051218.db2.gz WJARLUBKPLKGAK-CALCHBBNSA-N 2 1 308.470 1.407 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOCCC#N)CC1 ZINC000338946252 410051224 /nfs/dbraw/zinc/05/12/24/410051224.db2.gz WJARLUBKPLKGAK-CALCHBBNSA-N 2 1 308.470 1.407 20 30 DDEDMP C=CC[N@@H+](CCc1ccco1)CC(=O)NC1CC[NH+](CC)CC1 ZINC000352699555 410675015 /nfs/dbraw/zinc/67/50/15/410675015.db2.gz ATZBMYXKFHDIGA-UHFFFAOYSA-N 2 1 319.449 1.911 20 30 DDEDMP C=CC[N@H+](CCc1ccco1)CC(=O)NC1CC[NH+](CC)CC1 ZINC000352699555 410675023 /nfs/dbraw/zinc/67/50/23/410675023.db2.gz ATZBMYXKFHDIGA-UHFFFAOYSA-N 2 1 319.449 1.911 20 30 DDEDMP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(C#N)cc1Cl ZINC000580181375 422897047 /nfs/dbraw/zinc/89/70/47/422897047.db2.gz MUFVJGUWFPKGRL-LLVKDONJSA-N 2 1 306.797 1.294 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264142471 222324884 /nfs/dbraw/zinc/32/48/84/222324884.db2.gz XBCBWGWOSAPDJU-AWEZNQCLSA-N 2 1 306.454 1.966 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(n1)CCCC2 ZINC000262996556 222300217 /nfs/dbraw/zinc/30/02/17/222300217.db2.gz WKPKOKYKOCCPQB-MRXNPFEDSA-N 2 1 315.465 1.849 20 30 DDEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375491109 418648318 /nfs/dbraw/zinc/64/83/18/418648318.db2.gz SAMJLPCCKGAZPF-SJLPKXTDSA-N 2 1 301.434 1.961 20 30 DDEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375491109 418648321 /nfs/dbraw/zinc/64/83/21/418648321.db2.gz SAMJLPCCKGAZPF-SJLPKXTDSA-N 2 1 301.434 1.961 20 30 DDEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C[NH+]1CCOCC1 ZINC000267419115 222384512 /nfs/dbraw/zinc/38/45/12/222384512.db2.gz JZRVBYWIUHSOGI-CQSZACIVSA-N 2 1 316.449 1.870 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1F ZINC000267443681 222385458 /nfs/dbraw/zinc/38/54/58/222385458.db2.gz PPKUTNDITMPQPV-ZIAGYGMSSA-N 2 1 322.428 1.982 20 30 DDEDMP C=CCNC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364996833 418831075 /nfs/dbraw/zinc/83/10/75/418831075.db2.gz VMBIPQDWUJPHHM-UHFFFAOYSA-N 2 1 302.422 1.532 20 30 DDEDMP Cc1ccccc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424130905 228232120 /nfs/dbraw/zinc/23/21/20/228232120.db2.gz FRHREGADUSWDSV-KRWDZBQOSA-N 2 1 314.433 1.660 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000424178608 228242146 /nfs/dbraw/zinc/24/21/46/228242146.db2.gz RMBOMZZLMKZKBW-GJZGRUSLSA-N 2 1 304.369 1.320 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420970831 419393408 /nfs/dbraw/zinc/39/34/08/419393408.db2.gz JFTSJLSGQJGYII-MSOLQXFVSA-N 2 1 302.418 1.952 20 30 DDEDMP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449254868 420977863 /nfs/dbraw/zinc/97/78/63/420977863.db2.gz YZTQBIAPKSVLKR-MRXNPFEDSA-N 2 1 315.461 1.974 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000491298269 421196328 /nfs/dbraw/zinc/19/63/28/421196328.db2.gz VFHZOHUNSAGLSP-OAHLLOKOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000491516847 421198853 /nfs/dbraw/zinc/19/88/53/421198853.db2.gz VSADODYAXUWFRR-INIZCTEOSA-N 2 1 308.470 1.505 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nn1 ZINC000655939451 424694827 /nfs/dbraw/zinc/69/48/27/424694827.db2.gz HFRAGELPFWNUBO-IAGOWNOFSA-N 2 1 319.453 1.573 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)=[NH+]C ZINC000262403027 279303615 /nfs/dbraw/zinc/30/36/15/279303615.db2.gz OAPJQCCVDQUPPR-QXSJWSMHSA-N 2 1 322.497 1.839 20 30 DDEDMP Cc1cc(C)cc(NC(=[NH2+])NCCN2CCC[N@H+](C)CC2)c1 ZINC000264085298 301225516 /nfs/dbraw/zinc/22/55/16/301225516.db2.gz JCXWZECSIQRSRO-UHFFFAOYSA-N 2 1 303.454 1.668 20 30 DDEDMP C=CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nn1 ZINC000655942793 484045309 /nfs/dbraw/zinc/04/53/09/484045309.db2.gz YXEALXIJNBAEBZ-UAGQMJEPSA-N 2 1 319.453 1.715 20 30 DDEDMP C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nn1 ZINC000655942793 484045314 /nfs/dbraw/zinc/04/53/14/484045314.db2.gz YXEALXIJNBAEBZ-UAGQMJEPSA-N 2 1 319.453 1.715 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000671242440 484979330 /nfs/dbraw/zinc/97/93/30/484979330.db2.gz UNYFFNHVYMMCGK-QZTJIDSGSA-N 2 1 306.498 1.042 20 30 DDEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000330276760 534764277 /nfs/dbraw/zinc/76/42/77/534764277.db2.gz NJHWWTRRFNIPOE-HUUCEWRRSA-N 2 1 317.437 1.530 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(n3c[nH+]cc3C)CC2)CC1 ZINC000491038833 526918143 /nfs/dbraw/zinc/91/81/43/526918143.db2.gz LPBRNWDUGJVPJA-UHFFFAOYSA-N 2 1 314.433 1.700 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972639623 695306641 /nfs/dbraw/zinc/30/66/41/695306641.db2.gz VNGPSMJPSDCZMS-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972639623 695306643 /nfs/dbraw/zinc/30/66/43/695306643.db2.gz VNGPSMJPSDCZMS-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972639623 695306645 /nfs/dbraw/zinc/30/66/45/695306645.db2.gz VNGPSMJPSDCZMS-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000746342802 700020007 /nfs/dbraw/zinc/02/00/07/700020007.db2.gz FHUFFXGJIRRHCV-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000746342802 700020010 /nfs/dbraw/zinc/02/00/10/700020010.db2.gz FHUFFXGJIRRHCV-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000746342802 700020013 /nfs/dbraw/zinc/02/00/13/700020013.db2.gz FHUFFXGJIRRHCV-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000746342802 700020016 /nfs/dbraw/zinc/02/00/16/700020016.db2.gz FHUFFXGJIRRHCV-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670260 695708600 /nfs/dbraw/zinc/70/86/00/695708600.db2.gz HTPJXJLAEJHYPI-KGLIPLIRSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670260 695708603 /nfs/dbraw/zinc/70/86/03/695708603.db2.gz HTPJXJLAEJHYPI-KGLIPLIRSA-N 2 1 302.422 1.773 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974771903 695731487 /nfs/dbraw/zinc/73/14/87/695731487.db2.gz ZMUNDGKKRLKIES-MRXNPFEDSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C(C)(C)C1 ZINC000974771903 695731489 /nfs/dbraw/zinc/73/14/89/695731489.db2.gz ZMUNDGKKRLKIES-MRXNPFEDSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974946308 695763982 /nfs/dbraw/zinc/76/39/82/695763982.db2.gz MEYSYWLIZQVXIA-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946308 695763984 /nfs/dbraw/zinc/76/39/84/695763984.db2.gz MEYSYWLIZQVXIA-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946308 695763986 /nfs/dbraw/zinc/76/39/86/695763986.db2.gz MEYSYWLIZQVXIA-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC000977439501 696162632 /nfs/dbraw/zinc/16/26/32/696162632.db2.gz NCGGOJRIFSOQPJ-KRWDZBQOSA-N 2 1 317.477 1.568 20 30 DDEDMP CC1(C)CCC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000134250501 696835594 /nfs/dbraw/zinc/83/55/94/696835594.db2.gz RPRIUKYGVFUMSZ-UHFFFAOYSA-N 2 1 310.486 1.829 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981682623 696872645 /nfs/dbraw/zinc/87/26/45/696872645.db2.gz NKHILGXZFOVYPQ-QGZVFWFLSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982248 696993414 /nfs/dbraw/zinc/99/34/14/696993414.db2.gz QUFSQIKKCKEMFG-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000172240863 697365719 /nfs/dbraw/zinc/36/57/19/697365719.db2.gz TXYGRFQLSNKMOA-IRXDYDNUSA-N 2 1 316.449 1.734 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000985473754 697516714 /nfs/dbraw/zinc/51/67/14/697516714.db2.gz LYMCTFMUKLQGPH-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985473754 697516715 /nfs/dbraw/zinc/51/67/15/697516715.db2.gz LYMCTFMUKLQGPH-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000985473754 697516716 /nfs/dbraw/zinc/51/67/16/697516716.db2.gz LYMCTFMUKLQGPH-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC000987190906 698028406 /nfs/dbraw/zinc/02/84/06/698028406.db2.gz KVDHGQWWLULMDN-KBPBESRZSA-N 2 1 315.845 1.040 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000303772881 698606377 /nfs/dbraw/zinc/60/63/77/698606377.db2.gz DUHZCLDHYSRQBI-DLBZAZTESA-N 3 1 323.529 1.886 20 30 DDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303788679 698606885 /nfs/dbraw/zinc/60/68/85/698606885.db2.gz UMPCOLIVEORWNG-AWEZNQCLSA-N 2 1 324.494 1.552 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303892696 698609666 /nfs/dbraw/zinc/60/96/66/698609666.db2.gz RJZLMTCWHWVBNF-HOTGVXAUSA-N 3 1 309.502 1.497 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000781396050 698614667 /nfs/dbraw/zinc/61/46/67/698614667.db2.gz DLRNRLVSALWIJJ-BQFCYCMXSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000781396050 698614668 /nfs/dbraw/zinc/61/46/68/698614668.db2.gz DLRNRLVSALWIJJ-BQFCYCMXSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000781396050 698614669 /nfs/dbraw/zinc/61/46/69/698614669.db2.gz DLRNRLVSALWIJJ-BQFCYCMXSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781396050 698614670 /nfs/dbraw/zinc/61/46/70/698614670.db2.gz DLRNRLVSALWIJJ-BQFCYCMXSA-N 2 1 317.477 1.853 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000304752697 698624486 /nfs/dbraw/zinc/62/44/86/698624486.db2.gz KMEPWUSRLZRLRB-GFCCVEGCSA-N 2 1 306.410 1.772 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483916 698639364 /nfs/dbraw/zinc/63/93/64/698639364.db2.gz YPYBHLFSABBUPS-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989614829 698695875 /nfs/dbraw/zinc/69/58/75/698695875.db2.gz MVTGWWMZAPOCJT-DZGCQCFKSA-N 2 1 311.389 1.646 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000750867598 700252572 /nfs/dbraw/zinc/25/25/72/700252572.db2.gz PXKGNJVKPLYXIP-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000750867598 700252576 /nfs/dbraw/zinc/25/25/76/700252576.db2.gz PXKGNJVKPLYXIP-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991864315 699427265 /nfs/dbraw/zinc/42/72/65/699427265.db2.gz VDBGVRBKLILDJF-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991864315 699427267 /nfs/dbraw/zinc/42/72/67/699427267.db2.gz VDBGVRBKLILDJF-DOTOQJQBSA-N 2 1 300.406 1.328 20 30 DDEDMP CN1CCc2cc(C=[NH+]NC(=S)NCCC[NH+](C)C)ccc21 ZINC000752731334 700382759 /nfs/dbraw/zinc/38/27/59/700382759.db2.gz WSERKDZJYVMXIK-UHFFFAOYSA-N 2 1 319.478 1.429 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879567058 706719432 /nfs/dbraw/zinc/71/94/32/706719432.db2.gz LMDQFXOBVXMWBB-RYRKJORJSA-N 2 1 315.417 1.324 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879567058 706719433 /nfs/dbraw/zinc/71/94/33/706719433.db2.gz LMDQFXOBVXMWBB-RYRKJORJSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879567058 706719435 /nfs/dbraw/zinc/71/94/35/706719435.db2.gz LMDQFXOBVXMWBB-RYRKJORJSA-N 2 1 315.417 1.324 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879567058 706719437 /nfs/dbraw/zinc/71/94/37/706719437.db2.gz LMDQFXOBVXMWBB-RYRKJORJSA-N 2 1 315.417 1.324 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876724170 705840223 /nfs/dbraw/zinc/84/02/23/705840223.db2.gz PKGYAMHHQIDRBP-MBNYWOFBSA-N 2 1 301.862 1.941 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876737311 705849457 /nfs/dbraw/zinc/84/94/57/705849457.db2.gz POYKUIPKFQXZQP-RHSMWYFYSA-N 2 1 310.401 1.098 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876737311 705849460 /nfs/dbraw/zinc/84/94/60/705849460.db2.gz POYKUIPKFQXZQP-RHSMWYFYSA-N 2 1 310.401 1.098 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876951647 705935798 /nfs/dbraw/zinc/93/57/98/705935798.db2.gz FACZQEKGOCOJQI-RVMXOQNASA-N 2 1 303.834 1.070 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876951647 705935801 /nfs/dbraw/zinc/93/58/01/705935801.db2.gz FACZQEKGOCOJQI-RVMXOQNASA-N 2 1 303.834 1.070 20 30 DDEDMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884227733 708199992 /nfs/dbraw/zinc/19/99/92/708199992.db2.gz XGNLNNICKCUXNV-LPMVOBIJSA-N 2 1 318.465 1.459 20 30 DDEDMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884228946 708200811 /nfs/dbraw/zinc/20/08/11/708200811.db2.gz CZHSBKOKJRZVKI-JBCIKUTRSA-N 2 1 318.465 1.316 20 30 DDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)C1 ZINC000886068445 708692044 /nfs/dbraw/zinc/69/20/44/708692044.db2.gz YKROPTIIELKGMU-SJORKVTESA-N 2 1 320.481 1.143 20 30 DDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)C1 ZINC000886068445 708692046 /nfs/dbraw/zinc/69/20/46/708692046.db2.gz YKROPTIIELKGMU-SJORKVTESA-N 2 1 320.481 1.143 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000890368054 709840423 /nfs/dbraw/zinc/84/04/23/709840423.db2.gz ANJIPOWVUVDIJW-IKGGRYGDSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000890368054 709840427 /nfs/dbraw/zinc/84/04/27/709840427.db2.gz ANJIPOWVUVDIJW-IKGGRYGDSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000890368054 709840431 /nfs/dbraw/zinc/84/04/31/709840431.db2.gz ANJIPOWVUVDIJW-IKGGRYGDSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000890368054 709840434 /nfs/dbraw/zinc/84/04/34/709840434.db2.gz ANJIPOWVUVDIJW-IKGGRYGDSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCC)CC2)C1 ZINC000890372383 709844838 /nfs/dbraw/zinc/84/48/38/709844838.db2.gz IJQDITCZYVNGNF-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C2CC[NH+](CCC)CC2)C1 ZINC000890372383 709844843 /nfs/dbraw/zinc/84/48/43/709844843.db2.gz IJQDITCZYVNGNF-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C#C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000895667085 711573447 /nfs/dbraw/zinc/57/34/47/711573447.db2.gz YKINNIPIYZLRLD-HOTGVXAUSA-N 2 1 308.470 1.456 20 30 DDEDMP C#C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000895667085 711573449 /nfs/dbraw/zinc/57/34/49/711573449.db2.gz YKINNIPIYZLRLD-HOTGVXAUSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000920410505 713667415 /nfs/dbraw/zinc/66/74/15/713667415.db2.gz BQZRDCUWBPSKQS-LSDHHAIUSA-N 2 1 306.454 1.208 20 30 DDEDMP C=C(C)CN1CCC([NH2+]Cc2c3c(nn2C)CCOC3)CC1 ZINC000921701975 713848350 /nfs/dbraw/zinc/84/83/50/713848350.db2.gz FSMSHCUQZPSUTE-UHFFFAOYSA-N 2 1 304.438 1.623 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960147789 716431700 /nfs/dbraw/zinc/43/17/00/716431700.db2.gz IORIHXQRDDMTNL-FICVDOATSA-N 2 1 317.458 1.493 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC#Cc3ccccc3)C[C@H]21 ZINC000958414561 716538157 /nfs/dbraw/zinc/53/81/57/716538157.db2.gz HDWRYWFAHHBXIA-HCXYKTFWSA-N 2 1 323.440 1.179 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000958414561 716538161 /nfs/dbraw/zinc/53/81/61/716538161.db2.gz HDWRYWFAHHBXIA-HCXYKTFWSA-N 2 1 323.440 1.179 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC000958414561 716538164 /nfs/dbraw/zinc/53/81/64/716538164.db2.gz HDWRYWFAHHBXIA-HCXYKTFWSA-N 2 1 323.440 1.179 20 30 DDEDMP C#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961179289 716851569 /nfs/dbraw/zinc/85/15/69/716851569.db2.gz DXNPWZZUKNNAQG-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961179289 716851573 /nfs/dbraw/zinc/85/15/73/716851573.db2.gz DXNPWZZUKNNAQG-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961179289 716851579 /nfs/dbraw/zinc/85/15/79/716851579.db2.gz DXNPWZZUKNNAQG-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961224644 716869122 /nfs/dbraw/zinc/86/91/22/716869122.db2.gz YPNSSEBERSPMGL-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000961409320 716936165 /nfs/dbraw/zinc/93/61/65/716936165.db2.gz CDFUKLHPRMNYHS-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961771610 717202890 /nfs/dbraw/zinc/20/28/90/717202890.db2.gz OWZCLSOXKHPHPT-SIXLDLHFSA-N 2 1 314.433 1.376 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000961771610 717202892 /nfs/dbraw/zinc/20/28/92/717202892.db2.gz OWZCLSOXKHPHPT-SIXLDLHFSA-N 2 1 314.433 1.376 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000961782655 717206981 /nfs/dbraw/zinc/20/69/81/717206981.db2.gz XWGYRSALAYDZPS-NHAGDIPZSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000961782655 717206987 /nfs/dbraw/zinc/20/69/87/717206987.db2.gz XWGYRSALAYDZPS-NHAGDIPZSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961782655 717206993 /nfs/dbraw/zinc/20/69/93/717206993.db2.gz XWGYRSALAYDZPS-NHAGDIPZSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961782655 717206997 /nfs/dbraw/zinc/20/69/97/717206997.db2.gz XWGYRSALAYDZPS-NHAGDIPZSA-N 2 1 311.857 1.517 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2[C@H]3C[N@H+](C/C=C/Cl)C[C@@H]23)CC1 ZINC000962780533 717586671 /nfs/dbraw/zinc/58/66/71/717586671.db2.gz SQQNWCSCPFAKDT-QWFLDESWSA-N 2 1 321.852 1.131 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)CC1 ZINC000962784754 717588519 /nfs/dbraw/zinc/58/85/19/717588519.db2.gz ZDIGGNVSSXGZRM-PIIMJCKOSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942305615 717608059 /nfs/dbraw/zinc/60/80/59/717608059.db2.gz UNIFTWRKCOCBRK-RHSMWYFYSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963412449 717780635 /nfs/dbraw/zinc/78/06/35/717780635.db2.gz BGLDXTATVVNOEG-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416561 717782293 /nfs/dbraw/zinc/78/22/93/717782293.db2.gz LXYSHHNBZLILEN-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416986 717782545 /nfs/dbraw/zinc/78/25/45/717782545.db2.gz NAKPJBDYZSAFEA-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)C[C@H]2C)CC1 ZINC000945178199 718414942 /nfs/dbraw/zinc/41/49/42/718414942.db2.gz FHKSXXVKXJWUJG-WBVHZDCISA-N 2 1 303.450 1.344 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779085 718906149 /nfs/dbraw/zinc/90/61/49/718906149.db2.gz FULSBQUQSRKFFT-FJIDUMEYSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779085 718906153 /nfs/dbraw/zinc/90/61/53/718906153.db2.gz FULSBQUQSRKFFT-FJIDUMEYSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779085 718906156 /nfs/dbraw/zinc/90/61/56/718906156.db2.gz FULSBQUQSRKFFT-FJIDUMEYSA-N 2 1 317.477 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000947318775 719117886 /nfs/dbraw/zinc/11/78/86/719117886.db2.gz LKDHMTOWSAYJCH-GJZGRUSLSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498250 719624701 /nfs/dbraw/zinc/62/47/01/719624701.db2.gz YPORXRSGNHWNOP-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498250 719624705 /nfs/dbraw/zinc/62/47/05/719624705.db2.gz YPORXRSGNHWNOP-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998187 719917784 /nfs/dbraw/zinc/91/77/84/719917784.db2.gz OIUZRXYAQDAWCT-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970317823 720705890 /nfs/dbraw/zinc/70/58/90/720705890.db2.gz LNTQMCKUGNRGCP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529292 720798373 /nfs/dbraw/zinc/79/83/73/720798373.db2.gz NXHWDUCSQQQKFT-NVXWUHKLSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577679 738425772 /nfs/dbraw/zinc/42/57/72/738425772.db2.gz QMMKJGHFKYPCSO-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577679 738425773 /nfs/dbraw/zinc/42/57/73/738425773.db2.gz QMMKJGHFKYPCSO-JKSUJKDBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC(=C)C)C2)CC1 ZINC001027694482 738557979 /nfs/dbraw/zinc/55/79/79/738557979.db2.gz ZPKXDUWKLVTPDR-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173010 733082436 /nfs/dbraw/zinc/08/24/36/733082436.db2.gz LALFKAWDDGWKJZ-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173010 733082438 /nfs/dbraw/zinc/08/24/38/733082438.db2.gz LALFKAWDDGWKJZ-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173010 733082443 /nfs/dbraw/zinc/08/24/43/733082443.db2.gz LALFKAWDDGWKJZ-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420264 738739823 /nfs/dbraw/zinc/73/98/23/738739823.db2.gz RRUODWLVNXKWTM-HUUCEWRRSA-N 2 1 305.466 1.615 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001022442667 734539352 /nfs/dbraw/zinc/53/93/52/734539352.db2.gz OQSNAKGQGBNGJF-BETUJISGSA-N 2 1 322.840 1.751 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001121246659 782423178 /nfs/dbraw/zinc/42/31/78/782423178.db2.gz QRBUFYNJPIYYQK-UHFFFAOYSA-N 2 1 303.450 1.511 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC000972339823 734797804 /nfs/dbraw/zinc/79/78/04/734797804.db2.gz OTPRQRZVZOOKRT-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339823 734797806 /nfs/dbraw/zinc/79/78/06/734797806.db2.gz OTPRQRZVZOOKRT-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339823 734797809 /nfs/dbraw/zinc/79/78/09/734797809.db2.gz OTPRQRZVZOOKRT-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023365071 735201882 /nfs/dbraw/zinc/20/18/82/735201882.db2.gz WISCWCMNQVVROQ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365071 735201887 /nfs/dbraw/zinc/20/18/87/735201887.db2.gz WISCWCMNQVVROQ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001023365071 735201893 /nfs/dbraw/zinc/20/18/93/735201893.db2.gz WISCWCMNQVVROQ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468477 735846677 /nfs/dbraw/zinc/84/66/77/735846677.db2.gz KQFMDEHUYOAPJW-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468477 735846682 /nfs/dbraw/zinc/84/66/82/735846682.db2.gz KQFMDEHUYOAPJW-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024468477 735846688 /nfs/dbraw/zinc/84/66/88/735846688.db2.gz KQFMDEHUYOAPJW-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468477 735846693 /nfs/dbraw/zinc/84/66/93/735846693.db2.gz KQFMDEHUYOAPJW-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024468477 735846697 /nfs/dbraw/zinc/84/66/97/735846697.db2.gz KQFMDEHUYOAPJW-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502160 735882045 /nfs/dbraw/zinc/88/20/45/735882045.db2.gz KKHXBMCHLQWLCA-KRWDZBQOSA-N 2 1 317.477 1.856 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024506053 735883497 /nfs/dbraw/zinc/88/34/97/735883497.db2.gz INEUVZVOWIYCIU-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024506053 735883499 /nfs/dbraw/zinc/88/34/99/735883499.db2.gz INEUVZVOWIYCIU-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506053 735883505 /nfs/dbraw/zinc/88/35/05/735883505.db2.gz INEUVZVOWIYCIU-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024506053 735883508 /nfs/dbraw/zinc/88/35/08/735883508.db2.gz INEUVZVOWIYCIU-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP CCNC(NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)=[NH+]CC ZINC000694969244 736480083 /nfs/dbraw/zinc/48/00/83/736480083.db2.gz NJRCGPNTWONZPI-QGZVFWFLSA-N 2 1 317.481 1.378 20 30 DDEDMP CCNC(NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)=[NH+]CC ZINC000694969244 736480087 /nfs/dbraw/zinc/48/00/87/736480087.db2.gz NJRCGPNTWONZPI-QGZVFWFLSA-N 2 1 317.481 1.378 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586383 736770921 /nfs/dbraw/zinc/77/09/21/736770921.db2.gz YERRYLHTBJMMCV-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105017053 737460331 /nfs/dbraw/zinc/46/03/31/737460331.db2.gz NSMRBMPHLHQQNJ-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001026570099 737668039 /nfs/dbraw/zinc/66/80/39/737668039.db2.gz UPDFVUDNISJIOT-UHFFFAOYSA-N 2 1 302.422 1.657 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001027470106 738326842 /nfs/dbraw/zinc/32/68/42/738326842.db2.gz JKCDHQVDQVCCEM-HOCLYGCPSA-N 2 1 302.422 1.554 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001027546041 738391570 /nfs/dbraw/zinc/39/15/70/738391570.db2.gz IEWKDUVUTMWBOX-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027546041 738391575 /nfs/dbraw/zinc/39/15/75/738391575.db2.gz IEWKDUVUTMWBOX-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027546041 738391580 /nfs/dbraw/zinc/39/15/80/738391580.db2.gz IEWKDUVUTMWBOX-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546041 738391582 /nfs/dbraw/zinc/39/15/82/738391582.db2.gz IEWKDUVUTMWBOX-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546041 738391586 /nfs/dbraw/zinc/39/15/86/738391586.db2.gz IEWKDUVUTMWBOX-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP N#Cc1cc(C(F)(F)F)cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878467 739167266 /nfs/dbraw/zinc/16/72/66/739167266.db2.gz SPCLMGLYMUSAFY-UHFFFAOYSA-N 2 1 300.288 1.647 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028754658 739996035 /nfs/dbraw/zinc/99/60/35/739996035.db2.gz JBNPJFGYPOEJNB-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028754658 739996038 /nfs/dbraw/zinc/99/60/38/739996038.db2.gz JBNPJFGYPOEJNB-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028754658 739996040 /nfs/dbraw/zinc/99/60/40/739996040.db2.gz JBNPJFGYPOEJNB-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918720 740174136 /nfs/dbraw/zinc/17/41/36/740174136.db2.gz MAVYSICMUXFPKK-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918720 740174140 /nfs/dbraw/zinc/17/41/40/740174140.db2.gz MAVYSICMUXFPKK-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001028918720 740174142 /nfs/dbraw/zinc/17/41/42/740174142.db2.gz MAVYSICMUXFPKK-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087798871 740753893 /nfs/dbraw/zinc/75/38/93/740753893.db2.gz RPGLRAMVHSZEMA-JKSUJKDBSA-N 2 1 314.433 1.754 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836783 740776982 /nfs/dbraw/zinc/77/69/82/740776982.db2.gz IHWBACKNDYFKCA-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087836783 740776984 /nfs/dbraw/zinc/77/69/84/740776984.db2.gz IHWBACKNDYFKCA-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087836783 740776988 /nfs/dbraw/zinc/77/69/88/740776988.db2.gz IHWBACKNDYFKCA-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087836783 740776991 /nfs/dbraw/zinc/77/69/91/740776991.db2.gz IHWBACKNDYFKCA-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168028966 740790934 /nfs/dbraw/zinc/79/09/34/740790934.db2.gz BACQRHWVBVSNPN-HZPDHXFCSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107981609 751631477 /nfs/dbraw/zinc/63/14/77/751631477.db2.gz AVHVARQFGQNWAW-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107981609 751631482 /nfs/dbraw/zinc/63/14/82/751631482.db2.gz AVHVARQFGQNWAW-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107981609 751631485 /nfs/dbraw/zinc/63/14/85/751631485.db2.gz AVHVARQFGQNWAW-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107981609 751631489 /nfs/dbraw/zinc/63/14/89/751631489.db2.gz AVHVARQFGQNWAW-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881171 741633260 /nfs/dbraw/zinc/63/32/60/741633260.db2.gz HBASLDOHYRBQTH-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881492 741643805 /nfs/dbraw/zinc/64/38/05/741643805.db2.gz VJBFPVSDASIVCJ-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@H]1C ZINC001088582352 741898348 /nfs/dbraw/zinc/89/83/48/741898348.db2.gz KRFZUKFCMPJAMA-DVOMOZLQSA-N 2 1 317.437 1.555 20 30 DDEDMP C=CCN1CC[C@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@H]1C ZINC001088582352 741898351 /nfs/dbraw/zinc/89/83/51/741898351.db2.gz KRFZUKFCMPJAMA-DVOMOZLQSA-N 2 1 317.437 1.555 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001075994791 742353018 /nfs/dbraw/zinc/35/30/18/742353018.db2.gz HUXKMOJFMMOVNB-DOTOQJQBSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076247036 742619477 /nfs/dbraw/zinc/61/94/77/742619477.db2.gz WHTCQGRWDCPULD-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076247036 742619483 /nfs/dbraw/zinc/61/94/83/742619483.db2.gz WHTCQGRWDCPULD-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076247036 742619487 /nfs/dbraw/zinc/61/94/87/742619487.db2.gz WHTCQGRWDCPULD-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(C)C)C2)CC1 ZINC001035724757 751815821 /nfs/dbraw/zinc/81/58/21/751815821.db2.gz QRJCKBAVAXNLNS-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(C)C)C2)CC1 ZINC001035724757 751815828 /nfs/dbraw/zinc/81/58/28/751815828.db2.gz QRJCKBAVAXNLNS-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001182108276 743478663 /nfs/dbraw/zinc/47/86/63/743478663.db2.gz BYVAPUVGCQVQBI-UHFFFAOYSA-N 2 1 300.402 1.992 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(c2ccc3c(c2)OCO3)CC1 ZINC001182108276 743478671 /nfs/dbraw/zinc/47/86/71/743478671.db2.gz BYVAPUVGCQVQBI-UHFFFAOYSA-N 2 1 300.402 1.992 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396515 743498944 /nfs/dbraw/zinc/49/89/44/743498944.db2.gz UTEYSMHJOKEQHE-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396515 743498950 /nfs/dbraw/zinc/49/89/50/743498950.db2.gz UTEYSMHJOKEQHE-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396515 743498955 /nfs/dbraw/zinc/49/89/55/743498955.db2.gz UTEYSMHJOKEQHE-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001040400366 743505737 /nfs/dbraw/zinc/50/57/37/743505737.db2.gz TVBVPUVVUHLDED-WMZOPIPTSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001002873152 743536987 /nfs/dbraw/zinc/53/69/87/743536987.db2.gz ARNKXHGGBHXDOO-CVEARBPZSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369152 743593830 /nfs/dbraw/zinc/59/38/30/743593830.db2.gz NTICPLPXJXUFBS-MUQADHOPSA-N 2 1 307.482 1.977 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001127065625 743692788 /nfs/dbraw/zinc/69/27/88/743692788.db2.gz CGFSDCKJCBOGSG-KRWDZBQOSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183353846 743821378 /nfs/dbraw/zinc/82/13/78/743821378.db2.gz CXOZVYLJNMSWGX-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001183353846 743821382 /nfs/dbraw/zinc/82/13/82/743821382.db2.gz CXOZVYLJNMSWGX-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183410350 743832978 /nfs/dbraw/zinc/83/29/78/743832978.db2.gz NFOAWFHJVKRVAT-SOLBZPMBSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035795647 751883037 /nfs/dbraw/zinc/88/30/37/751883037.db2.gz XGCZZKWZYSVZQJ-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035795134 751882399 /nfs/dbraw/zinc/88/23/99/751882399.db2.gz QIZISNNRVSZWCN-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)CC2 ZINC001035776574 751892888 /nfs/dbraw/zinc/89/28/88/751892888.db2.gz QXCRPLGHAHOMHG-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)CC2 ZINC001035776574 751892895 /nfs/dbraw/zinc/89/28/95/751892895.db2.gz QXCRPLGHAHOMHG-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC001089059652 744479727 /nfs/dbraw/zinc/47/97/27/744479727.db2.gz VGDXNLFOFLSIBE-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)[C@@H]2C)CC1 ZINC001089060127 744479810 /nfs/dbraw/zinc/47/98/10/744479810.db2.gz UVOQPKDLNARPET-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137661 744628122 /nfs/dbraw/zinc/62/81/22/744628122.db2.gz OFQMUQNNYMPICJ-SOLBZPMBSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137661 744628126 /nfs/dbraw/zinc/62/81/26/744628126.db2.gz OFQMUQNNYMPICJ-SOLBZPMBSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137661 744628129 /nfs/dbraw/zinc/62/81/29/744628129.db2.gz OFQMUQNNYMPICJ-SOLBZPMBSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137661 744628132 /nfs/dbraw/zinc/62/81/32/744628132.db2.gz OFQMUQNNYMPICJ-SOLBZPMBSA-N 2 1 321.465 1.395 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084978 745107112 /nfs/dbraw/zinc/10/71/12/745107112.db2.gz VBHKHFBKRINILT-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084978 745107117 /nfs/dbraw/zinc/10/71/17/745107117.db2.gz VBHKHFBKRINILT-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190084978 745107120 /nfs/dbraw/zinc/10/71/20/745107120.db2.gz VBHKHFBKRINILT-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190175374 745140353 /nfs/dbraw/zinc/14/03/53/745140353.db2.gz JKIUIALGZMBXBL-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190653891 745285352 /nfs/dbraw/zinc/28/53/52/745285352.db2.gz HSZGYAYPTAKRBJ-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190653891 745285357 /nfs/dbraw/zinc/28/53/57/745285357.db2.gz HSZGYAYPTAKRBJ-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001190653891 745285361 /nfs/dbraw/zinc/28/53/61/745285361.db2.gz HSZGYAYPTAKRBJ-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000992917214 745290947 /nfs/dbraw/zinc/29/09/47/745290947.db2.gz LAWXPKJUZFTHRI-OWCLPIDISA-N 2 1 302.422 1.594 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001191969010 745668167 /nfs/dbraw/zinc/66/81/67/745668167.db2.gz YIDUKYBOOSJMAW-ULQDDVLXSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191969010 745668170 /nfs/dbraw/zinc/66/81/70/745668170.db2.gz YIDUKYBOOSJMAW-ULQDDVLXSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001191969010 745668175 /nfs/dbraw/zinc/66/81/75/745668175.db2.gz YIDUKYBOOSJMAW-ULQDDVLXSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671567 745857154 /nfs/dbraw/zinc/85/71/54/745857154.db2.gz NJTHAYZSTRLXGV-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671567 745857160 /nfs/dbraw/zinc/85/71/60/745857160.db2.gz NJTHAYZSTRLXGV-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671567 745857165 /nfs/dbraw/zinc/85/71/65/745857165.db2.gz NJTHAYZSTRLXGV-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668994 745889997 /nfs/dbraw/zinc/88/99/97/745889997.db2.gz SUGUFIQXVADDTQ-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993615929 746234676 /nfs/dbraw/zinc/23/46/76/746234676.db2.gz PHUCXMXAFIGXTP-YOEHRIQHSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099309839 746651720 /nfs/dbraw/zinc/65/17/20/746651720.db2.gz FZFFLGDRPVBVAX-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001099309839 746651722 /nfs/dbraw/zinc/65/17/22/746651722.db2.gz FZFFLGDRPVBVAX-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001196169329 746791190 /nfs/dbraw/zinc/79/11/90/746791190.db2.gz QXZVHYHRCVRASH-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196169329 746791195 /nfs/dbraw/zinc/79/11/95/746791195.db2.gz QXZVHYHRCVRASH-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196169329 746791198 /nfs/dbraw/zinc/79/11/98/746791198.db2.gz QXZVHYHRCVRASH-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001196295586 746828902 /nfs/dbraw/zinc/82/89/02/746828902.db2.gz NLXGZEDOYXAYST-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001196295586 746828908 /nfs/dbraw/zinc/82/89/08/746828908.db2.gz NLXGZEDOYXAYST-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001196295586 746828916 /nfs/dbraw/zinc/82/89/16/746828916.db2.gz NLXGZEDOYXAYST-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196367283 746859433 /nfs/dbraw/zinc/85/94/33/746859433.db2.gz WJEDHZWSIDXKAF-UHFFFAOYSA-N 2 1 302.422 1.628 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196366237 746860027 /nfs/dbraw/zinc/86/00/27/746860027.db2.gz ISPSISMDBQPNTE-UHFFFAOYSA-N 2 1 300.406 1.075 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196366237 746860031 /nfs/dbraw/zinc/86/00/31/746860031.db2.gz ISPSISMDBQPNTE-UHFFFAOYSA-N 2 1 300.406 1.075 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197195747 747098232 /nfs/dbraw/zinc/09/82/32/747098232.db2.gz JYAHUXAXAMBMJI-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089564309 747236827 /nfs/dbraw/zinc/23/68/27/747236827.db2.gz XXVWMJNKNLBYOV-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089564309 747236832 /nfs/dbraw/zinc/23/68/32/747236832.db2.gz XXVWMJNKNLBYOV-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007496985 752174253 /nfs/dbraw/zinc/17/42/53/752174253.db2.gz YCUXKFZQHRQANX-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007496985 752174256 /nfs/dbraw/zinc/17/42/56/752174256.db2.gz YCUXKFZQHRQANX-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)CCC[NH+](C)C)c1ccccc1OC ZINC001198865810 747640015 /nfs/dbraw/zinc/64/00/15/747640015.db2.gz NEZUKKPPKKRUPX-INIZCTEOSA-N 2 1 317.433 1.417 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C1CCC1 ZINC001089820670 747973060 /nfs/dbraw/zinc/97/30/60/747973060.db2.gz NXQPAFYGCADMON-HPBDAGMYSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820670 747973066 /nfs/dbraw/zinc/97/30/66/747973066.db2.gz NXQPAFYGCADMON-HPBDAGMYSA-N 2 1 315.461 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C1CCC1 ZINC001089820670 747973069 /nfs/dbraw/zinc/97/30/69/747973069.db2.gz NXQPAFYGCADMON-HPBDAGMYSA-N 2 1 315.461 1.273 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634608 748298003 /nfs/dbraw/zinc/29/80/03/748298003.db2.gz HDLHHWCBTHDYHR-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001200658442 748317628 /nfs/dbraw/zinc/31/76/28/748317628.db2.gz NCPNDPXAJUGZJO-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704134 748324262 /nfs/dbraw/zinc/32/42/62/748324262.db2.gz HJAUJWJEPXWOOD-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721187 748328692 /nfs/dbraw/zinc/32/86/92/748328692.db2.gz IVBZCNQUVQIHTC-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986256 748484419 /nfs/dbraw/zinc/48/44/19/748484419.db2.gz HZZNVIXCSISTKY-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C ZINC001036240306 752288253 /nfs/dbraw/zinc/28/82/53/752288253.db2.gz NSSCBIKFCIGRGW-YOEHRIQHSA-N 2 1 323.400 1.341 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCCO1 ZINC001201924486 748645796 /nfs/dbraw/zinc/64/57/96/748645796.db2.gz NBURPQXGTTUVFY-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033355059 749258430 /nfs/dbraw/zinc/25/84/30/749258430.db2.gz UUANZGJRNHVELW-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033355059 749258434 /nfs/dbraw/zinc/25/84/34/749258434.db2.gz UUANZGJRNHVELW-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033355059 749258436 /nfs/dbraw/zinc/25/84/36/749258436.db2.gz UUANZGJRNHVELW-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033416558 749314352 /nfs/dbraw/zinc/31/43/52/749314352.db2.gz QHHDPNMWHSKNJJ-YOEHRIQHSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033416558 749314354 /nfs/dbraw/zinc/31/43/54/749314354.db2.gz QHHDPNMWHSKNJJ-YOEHRIQHSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033416558 749314356 /nfs/dbraw/zinc/31/43/56/749314356.db2.gz QHHDPNMWHSKNJJ-YOEHRIQHSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033416558 749314357 /nfs/dbraw/zinc/31/43/57/749314357.db2.gz QHHDPNMWHSKNJJ-YOEHRIQHSA-N 2 1 309.429 1.365 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC000996045352 749342577 /nfs/dbraw/zinc/34/25/77/749342577.db2.gz VUYRDLBQWJLPHA-CYBMUJFWSA-N 2 1 310.829 1.771 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000996679144 749900935 /nfs/dbraw/zinc/90/09/35/749900935.db2.gz PZZHAAUYVOIULA-OAHLLOKOSA-N 2 1 302.422 1.917 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033836118 749960009 /nfs/dbraw/zinc/96/00/09/749960009.db2.gz LLDMURMNWLUSQW-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCN1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033874750 750008551 /nfs/dbraw/zinc/00/85/51/750008551.db2.gz HQNILYOFKSYZEP-CABCVRRESA-N 2 1 300.406 1.002 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115299 750379217 /nfs/dbraw/zinc/37/92/17/750379217.db2.gz MSJDEVNWLZWWRT-SFHVURJKSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001108115299 750379222 /nfs/dbraw/zinc/37/92/22/750379222.db2.gz MSJDEVNWLZWWRT-SFHVURJKSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114623737 750862551 /nfs/dbraw/zinc/86/25/51/750862551.db2.gz DRCJISVIORJNQN-VQFNDLOPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623737 750862559 /nfs/dbraw/zinc/86/25/59/750862559.db2.gz DRCJISVIORJNQN-VQFNDLOPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623737 750862567 /nfs/dbraw/zinc/86/25/67/750862567.db2.gz DRCJISVIORJNQN-VQFNDLOPSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194482 751292965 /nfs/dbraw/zinc/29/29/65/751292965.db2.gz NURCSRXFMYKSTR-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035194482 751292968 /nfs/dbraw/zinc/29/29/68/751292968.db2.gz NURCSRXFMYKSTR-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+](C)C1CCC1)CC2 ZINC001035194482 751292971 /nfs/dbraw/zinc/29/29/71/751292971.db2.gz NURCSRXFMYKSTR-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419107 762114843 /nfs/dbraw/zinc/11/48/43/762114843.db2.gz BLBRTSOXRKMGOH-GOSISDBHSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430355 753470046 /nfs/dbraw/zinc/47/00/46/753470046.db2.gz KJIALKKPAKHGDG-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430355 753470049 /nfs/dbraw/zinc/47/00/49/753470049.db2.gz KJIALKKPAKHGDG-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430355 753470051 /nfs/dbraw/zinc/47/00/51/753470051.db2.gz KJIALKKPAKHGDG-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])c1ccc(S(C)(=O)=O)cc1)C2 ZINC001169108040 762253812 /nfs/dbraw/zinc/25/38/12/762253812.db2.gz NBQJIBWQFZJDAQ-ZSOGYDGISA-N 2 1 321.446 1.421 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001078666155 754282257 /nfs/dbraw/zinc/28/22/57/754282257.db2.gz PKFUCGZFNAOUMO-GJZGRUSLSA-N 2 1 318.421 1.553 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001924628 754582685 /nfs/dbraw/zinc/58/26/85/754582685.db2.gz LYEVKIABVNUDJE-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711935 755902091 /nfs/dbraw/zinc/90/20/91/755902091.db2.gz QCAMWAXLOVAIOK-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711935 755902096 /nfs/dbraw/zinc/90/20/96/755902096.db2.gz QCAMWAXLOVAIOK-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711935 755902099 /nfs/dbraw/zinc/90/20/99/755902099.db2.gz QCAMWAXLOVAIOK-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001080623908 756007592 /nfs/dbraw/zinc/00/75/92/756007592.db2.gz NAPQENQSFCMROD-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754158 756084215 /nfs/dbraw/zinc/08/42/15/756084215.db2.gz BJTIHIJTLPTQSN-RHSMWYFYSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396543 762524822 /nfs/dbraw/zinc/52/48/22/762524822.db2.gz VHKMTZJYIKDBHD-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040396543 762524828 /nfs/dbraw/zinc/52/48/28/762524828.db2.gz VHKMTZJYIKDBHD-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040396543 762524834 /nfs/dbraw/zinc/52/48/34/762524834.db2.gz VHKMTZJYIKDBHD-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001016860752 757415553 /nfs/dbraw/zinc/41/55/53/757415553.db2.gz RBVFARCJMPRYLE-OAHLLOKOSA-N 2 1 314.433 1.610 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016931933 757487080 /nfs/dbraw/zinc/48/70/80/757487080.db2.gz YSCOZGLDMPAXLP-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338187 757499068 /nfs/dbraw/zinc/49/90/68/757499068.db2.gz IMVBKXPXUUSQTG-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338187 757499075 /nfs/dbraw/zinc/49/90/75/757499075.db2.gz IMVBKXPXUUSQTG-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338187 757499082 /nfs/dbraw/zinc/49/90/82/757499082.db2.gz IMVBKXPXUUSQTG-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084338187 757499086 /nfs/dbraw/zinc/49/90/86/757499086.db2.gz IMVBKXPXUUSQTG-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403017 757560059 /nfs/dbraw/zinc/56/00/59/757560059.db2.gz BNUQNTSQKBTJNY-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403017 757560065 /nfs/dbraw/zinc/56/00/65/757560065.db2.gz BNUQNTSQKBTJNY-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403017 757560072 /nfs/dbraw/zinc/56/00/72/757560072.db2.gz BNUQNTSQKBTJNY-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403017 757560078 /nfs/dbraw/zinc/56/00/78/757560078.db2.gz BNUQNTSQKBTJNY-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001084455523 757576441 /nfs/dbraw/zinc/57/64/41/757576441.db2.gz XYBCDHMFARZOQM-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001084455523 757576450 /nfs/dbraw/zinc/57/64/50/757576450.db2.gz XYBCDHMFARZOQM-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001084455523 757576454 /nfs/dbraw/zinc/57/64/54/757576454.db2.gz XYBCDHMFARZOQM-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084630317 757714638 /nfs/dbraw/zinc/71/46/38/757714638.db2.gz ARXPHPPTPHIZDF-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701420 757792223 /nfs/dbraw/zinc/79/22/23/757792223.db2.gz CLTAZAKPGQJGKO-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701420 757792226 /nfs/dbraw/zinc/79/22/26/757792226.db2.gz CLTAZAKPGQJGKO-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701420 757792237 /nfs/dbraw/zinc/79/22/37/757792237.db2.gz CLTAZAKPGQJGKO-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701420 757792245 /nfs/dbraw/zinc/79/22/45/757792245.db2.gz CLTAZAKPGQJGKO-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941358 758085675 /nfs/dbraw/zinc/08/56/75/758085675.db2.gz DGSJPXRYYUPSRI-KURKYZTESA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017852098 758298727 /nfs/dbraw/zinc/29/87/27/758298727.db2.gz WCWNUMDQIKWGLB-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017852098 758298733 /nfs/dbraw/zinc/29/87/33/758298733.db2.gz WCWNUMDQIKWGLB-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017852098 758298739 /nfs/dbraw/zinc/29/87/39/758298739.db2.gz WCWNUMDQIKWGLB-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001017949290 758416391 /nfs/dbraw/zinc/41/63/91/758416391.db2.gz JTXFEBKIFWGPDL-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001017949290 758416397 /nfs/dbraw/zinc/41/63/97/758416397.db2.gz JTXFEBKIFWGPDL-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001017949290 758416401 /nfs/dbraw/zinc/41/64/01/758416401.db2.gz JTXFEBKIFWGPDL-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001017949290 758416407 /nfs/dbraw/zinc/41/64/07/758416407.db2.gz JTXFEBKIFWGPDL-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053927145 758963864 /nfs/dbraw/zinc/96/38/64/758963864.db2.gz UFZLKXCKFFEMIS-GJZGRUSLSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053927145 758963867 /nfs/dbraw/zinc/96/38/67/758963867.db2.gz UFZLKXCKFFEMIS-GJZGRUSLSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169809868 762684136 /nfs/dbraw/zinc/68/41/36/762684136.db2.gz LRNDZNOCUWHFIU-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001018878350 759361317 /nfs/dbraw/zinc/36/13/17/759361317.db2.gz LHGZVJDQTWDBNH-SWLSCSKDSA-N 2 1 303.410 1.167 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001018878350 759361329 /nfs/dbraw/zinc/36/13/29/759361329.db2.gz LHGZVJDQTWDBNH-SWLSCSKDSA-N 2 1 303.410 1.167 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001019297979 759775905 /nfs/dbraw/zinc/77/59/05/759775905.db2.gz SYTDUOMBOVHHTR-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984558 760663249 /nfs/dbraw/zinc/66/32/49/760663249.db2.gz HEGALTQYLIYKDF-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984558 760663251 /nfs/dbraw/zinc/66/32/51/760663251.db2.gz HEGALTQYLIYKDF-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086250849 761250206 /nfs/dbraw/zinc/25/02/06/761250206.db2.gz PIKSWVAEYLZVDW-IXDOHACOSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000028168 761462930 /nfs/dbraw/zinc/46/29/30/761462930.db2.gz SDNMRFBNGRILMJ-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000204016 761572426 /nfs/dbraw/zinc/57/24/26/761572426.db2.gz YLMKJFUTBVPAFR-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040915484 762731826 /nfs/dbraw/zinc/73/18/26/762731826.db2.gz ZWDWSBWAVCQKME-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CCF)CC2)CC1 ZINC001001466694 762888524 /nfs/dbraw/zinc/88/85/24/762888524.db2.gz DYLSSBLUBRRBNR-UHFFFAOYSA-N 2 1 307.413 1.049 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CCF)CC2)CC1 ZINC001001466694 762888531 /nfs/dbraw/zinc/88/85/31/762888531.db2.gz DYLSSBLUBRRBNR-UHFFFAOYSA-N 2 1 307.413 1.049 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041411998 763012059 /nfs/dbraw/zinc/01/20/59/763012059.db2.gz DGUMTTUBGNBSTK-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041411998 763012066 /nfs/dbraw/zinc/01/20/66/763012066.db2.gz DGUMTTUBGNBSTK-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041411998 763012072 /nfs/dbraw/zinc/01/20/72/763012072.db2.gz DGUMTTUBGNBSTK-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432886 763027957 /nfs/dbraw/zinc/02/79/57/763027957.db2.gz UHCVXOIOKJXZLE-IEBWSBKVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432886 763027965 /nfs/dbraw/zinc/02/79/65/763027965.db2.gz UHCVXOIOKJXZLE-IEBWSBKVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432886 763027968 /nfs/dbraw/zinc/02/79/68/763027968.db2.gz UHCVXOIOKJXZLE-IEBWSBKVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041474826 763059201 /nfs/dbraw/zinc/05/92/01/763059201.db2.gz DDBDOKMTXWWJOR-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041474826 763059203 /nfs/dbraw/zinc/05/92/03/763059203.db2.gz DDBDOKMTXWWJOR-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041510384 763088463 /nfs/dbraw/zinc/08/84/63/763088463.db2.gz WPZRBZKQBYFQAF-IEBWSBKVSA-N 2 1 317.477 1.971 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001131380411 768105480 /nfs/dbraw/zinc/10/54/80/768105480.db2.gz KYLFMCUJBBNRJM-UHFFFAOYSA-N 2 1 314.364 1.088 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001041601064 763171453 /nfs/dbraw/zinc/17/14/53/763171453.db2.gz XJDTVYOODQWAPB-FUHWJXTLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001041601064 763171459 /nfs/dbraw/zinc/17/14/59/763171459.db2.gz XJDTVYOODQWAPB-FUHWJXTLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041601064 763171465 /nfs/dbraw/zinc/17/14/65/763171465.db2.gz XJDTVYOODQWAPB-FUHWJXTLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041601064 763171470 /nfs/dbraw/zinc/17/14/70/763171470.db2.gz XJDTVYOODQWAPB-FUHWJXTLSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138915 763199703 /nfs/dbraw/zinc/19/97/03/763199703.db2.gz ZYFOWCJFLFOIHY-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138915 763199708 /nfs/dbraw/zinc/19/97/08/763199708.db2.gz ZYFOWCJFLFOIHY-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138915 763199710 /nfs/dbraw/zinc/19/97/10/763199710.db2.gz ZYFOWCJFLFOIHY-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050203195 763316751 /nfs/dbraw/zinc/31/67/51/763316751.db2.gz XNRXLYVURSUOGT-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050203195 763316760 /nfs/dbraw/zinc/31/67/60/763316760.db2.gz XNRXLYVURSUOGT-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050203195 763316765 /nfs/dbraw/zinc/31/67/65/763316765.db2.gz XNRXLYVURSUOGT-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835891 763391144 /nfs/dbraw/zinc/39/11/44/763391144.db2.gz XRDKUMRHFSAUOA-FUHWJXTLSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050521101 763701044 /nfs/dbraw/zinc/70/10/44/763701044.db2.gz VSYOINRZFJWIGM-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042158513 763723683 /nfs/dbraw/zinc/72/36/83/763723683.db2.gz YNZBKJWCFXMRPM-RHSMWYFYSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050766540 764024179 /nfs/dbraw/zinc/02/41/79/764024179.db2.gz QMXOGCKLVBDMGP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001112578680 764423318 /nfs/dbraw/zinc/42/33/18/764423318.db2.gz ANMOLAPNTTWUAA-BQFCYCMXSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131698011 768278914 /nfs/dbraw/zinc/27/89/14/768278914.db2.gz UNCATNJVGKJXGF-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@@H](C)O2 ZINC001131698011 768278916 /nfs/dbraw/zinc/27/89/16/768278916.db2.gz UNCATNJVGKJXGF-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@@H](C)O2 ZINC001131698011 768278919 /nfs/dbraw/zinc/27/89/19/768278919.db2.gz UNCATNJVGKJXGF-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC001129526405 766915246 /nfs/dbraw/zinc/91/52/46/766915246.db2.gz FQQUIAQCGOYLJK-UHFFFAOYSA-N 2 1 300.406 1.248 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001129771499 766999198 /nfs/dbraw/zinc/99/91/98/766999198.db2.gz ZDAAIAOUYNOMQN-INIZCTEOSA-N 2 1 319.836 1.643 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(Cl)c1 ZINC001129771499 766999204 /nfs/dbraw/zinc/99/92/04/766999204.db2.gz ZDAAIAOUYNOMQN-INIZCTEOSA-N 2 1 319.836 1.643 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001130296686 767415595 /nfs/dbraw/zinc/41/55/95/767415595.db2.gz ASIVLWYZEJNSCS-MRXNPFEDSA-N 2 1 300.406 1.248 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001130298165 767419391 /nfs/dbraw/zinc/41/93/91/767419391.db2.gz XIMGDOOKPDCTFB-AWEZNQCLSA-N 2 1 306.435 1.310 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613737 767739864 /nfs/dbraw/zinc/73/98/64/767739864.db2.gz GBFODICXLJAFKW-MAUKXSAKSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613737 767739867 /nfs/dbraw/zinc/73/98/67/767739867.db2.gz GBFODICXLJAFKW-MAUKXSAKSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132361222 768786775 /nfs/dbraw/zinc/78/67/75/768786775.db2.gz ZUWHRWRGJXIIMF-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132361222 768786777 /nfs/dbraw/zinc/78/67/77/768786777.db2.gz ZUWHRWRGJXIIMF-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@H](C)O2 ZINC001071203495 769132400 /nfs/dbraw/zinc/13/24/00/769132400.db2.gz BRAGYUJLSIZVJD-MAUKXSAKSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818938 769939489 /nfs/dbraw/zinc/93/94/89/769939489.db2.gz OKNISZOINSNVEV-WNRNVDISSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818938 769939492 /nfs/dbraw/zinc/93/94/92/769939492.db2.gz OKNISZOINSNVEV-WNRNVDISSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818938 769939499 /nfs/dbraw/zinc/93/94/99/769939499.db2.gz OKNISZOINSNVEV-WNRNVDISSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)Cc3cnccc3OC)C[C@H]2C1 ZINC001048887807 770053802 /nfs/dbraw/zinc/05/38/02/770053802.db2.gz FKHZGIKEMCNWOU-IYBDPMFKSA-N 2 1 315.417 1.599 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001133869341 770391370 /nfs/dbraw/zinc/39/13/70/770391370.db2.gz DJVLEFJVOWHHHE-WFASDCNBSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@@H]1C ZINC001072096292 770537140 /nfs/dbraw/zinc/53/71/40/770537140.db2.gz WXYVHKHNSGINEP-MAUKXSAKSA-N 2 1 313.445 1.964 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1ccnc1C)C2 ZINC001096548467 770993040 /nfs/dbraw/zinc/99/30/40/770993040.db2.gz DRCBNQLFQWQKOO-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001096548467 770993043 /nfs/dbraw/zinc/99/30/43/770993043.db2.gz DRCBNQLFQWQKOO-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C)C2 ZINC001096548467 770993048 /nfs/dbraw/zinc/99/30/48/770993048.db2.gz DRCBNQLFQWQKOO-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001049611431 771017045 /nfs/dbraw/zinc/01/70/45/771017045.db2.gz GIXUXZASBWCCQM-KURKYZTESA-N 2 1 315.461 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688107 771087521 /nfs/dbraw/zinc/08/75/21/771087521.db2.gz QRWFFNHYDJYDQT-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688873 771088323 /nfs/dbraw/zinc/08/83/23/771088323.db2.gz XDDUKZIVURCKQX-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020662 771281598 /nfs/dbraw/zinc/28/15/98/771281598.db2.gz ITZXYADIATUASP-CABCVRRESA-N 2 1 316.449 1.658 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471252 771527678 /nfs/dbraw/zinc/52/76/78/771527678.db2.gz JGODDKXGEJTNDC-ZIAGYGMSSA-N 2 1 318.421 1.390 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001135481708 771529030 /nfs/dbraw/zinc/52/90/30/771529030.db2.gz WGHGFTYRPMLFQX-IRXDYDNUSA-N 2 1 315.461 1.667 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001097085292 771616777 /nfs/dbraw/zinc/61/67/77/771616777.db2.gz BPJGKJHSTGNUKO-TWMKSMIVSA-N 2 1 301.434 1.073 20 30 DDEDMP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3[nH]c(N)[nH+]c3c2)cc1 ZINC001170984603 772019411 /nfs/dbraw/zinc/01/94/11/772019411.db2.gz UZORFTMZLXIEQQ-UHFFFAOYSA-N 2 1 309.329 1.969 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cccc(C[NH+](C)C)n1 ZINC001171071290 772227548 /nfs/dbraw/zinc/22/75/48/772227548.db2.gz WFQAGOGMYKKSAB-HNNXBMFYSA-N 2 1 320.437 1.782 20 30 DDEDMP C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001171225230 772628656 /nfs/dbraw/zinc/62/86/56/772628656.db2.gz YWHIXVMAPPQEKH-MRXNPFEDSA-N 2 1 300.450 1.668 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115095 772638680 /nfs/dbraw/zinc/63/86/80/772638680.db2.gz NWFSDPXQANNUGV-SQNIBIBYSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001171248251 772709776 /nfs/dbraw/zinc/70/97/76/772709776.db2.gz RDZBEJRWPDISIM-JKSUJKDBSA-N 2 1 321.469 1.264 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115038422 772804672 /nfs/dbraw/zinc/80/46/72/772804672.db2.gz LGRLOEVJIIDWJR-VQFNDLOPSA-N 2 1 321.465 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073663379 773278437 /nfs/dbraw/zinc/27/84/37/773278437.db2.gz ZPSYMFDYLLIONB-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073663379 773278443 /nfs/dbraw/zinc/27/84/43/773278443.db2.gz ZPSYMFDYLLIONB-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073663379 773278446 /nfs/dbraw/zinc/27/84/46/773278446.db2.gz ZPSYMFDYLLIONB-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611520 773533483 /nfs/dbraw/zinc/53/34/83/773533483.db2.gz BXGHHWHVZQKQNP-INIZCTEOSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@]2(C)C1 ZINC001092071300 773935965 /nfs/dbraw/zinc/93/59/65/773935965.db2.gz PPAIHWVNGJWQMK-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC001092650864 774199710 /nfs/dbraw/zinc/19/97/10/774199710.db2.gz VGVJCIZSKOYCJD-UKRRQHHQSA-N 2 1 319.474 1.741 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036736920 774430035 /nfs/dbraw/zinc/43/00/35/774430035.db2.gz JFHWUPDCWCAYIC-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093132882 774436602 /nfs/dbraw/zinc/43/66/02/774436602.db2.gz FLJJBFBMYNTKTQ-TZMCWYRMSA-N 2 1 311.857 1.519 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001098846309 774692348 /nfs/dbraw/zinc/69/23/48/774692348.db2.gz DUBHKPHHBZUQKA-CUSZFKRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846309 774692353 /nfs/dbraw/zinc/69/23/53/774692353.db2.gz DUBHKPHHBZUQKA-CUSZFKRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001098846309 774692355 /nfs/dbraw/zinc/69/23/55/774692355.db2.gz DUBHKPHHBZUQKA-CUSZFKRNSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820503 774725328 /nfs/dbraw/zinc/72/53/28/774725328.db2.gz KDYLPKBLXRQFBU-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820503 774725330 /nfs/dbraw/zinc/72/53/30/774725330.db2.gz KDYLPKBLXRQFBU-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820503 774725332 /nfs/dbraw/zinc/72/53/32/774725332.db2.gz KDYLPKBLXRQFBU-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099542591 775021836 /nfs/dbraw/zinc/02/18/36/775021836.db2.gz CCROVBZBUXLQRL-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544505 775023038 /nfs/dbraw/zinc/02/30/38/775023038.db2.gz QCVAVHCGRIINCK-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544505 775023043 /nfs/dbraw/zinc/02/30/43/775023043.db2.gz QCVAVHCGRIINCK-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544505 775023047 /nfs/dbraw/zinc/02/30/47/775023047.db2.gz QCVAVHCGRIINCK-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099554136 775027426 /nfs/dbraw/zinc/02/74/26/775027426.db2.gz XPNNFEUXEVFEFJ-FJIDUMEYSA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099554136 775027431 /nfs/dbraw/zinc/02/74/31/775027431.db2.gz XPNNFEUXEVFEFJ-FJIDUMEYSA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099554136 775027438 /nfs/dbraw/zinc/02/74/38/775027438.db2.gz XPNNFEUXEVFEFJ-FJIDUMEYSA-N 2 1 317.477 1.519 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001149804604 775195576 /nfs/dbraw/zinc/19/55/76/775195576.db2.gz RZWSXUKVRBDRFA-HUUCEWRRSA-N 2 1 315.433 1.059 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001099930540 775236465 /nfs/dbraw/zinc/23/64/65/775236465.db2.gz HVIWRLPGEZABNA-HOTGVXAUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001099903231 775403170 /nfs/dbraw/zinc/40/31/70/775403170.db2.gz CJQHKOKKDOWNJC-HZPDHXFCSA-N 2 1 321.465 1.132 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100012642 775567022 /nfs/dbraw/zinc/56/70/22/775567022.db2.gz AVQQQAZDSWZNCG-GJZGRUSLSA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100012642 775567031 /nfs/dbraw/zinc/56/70/31/775567031.db2.gz AVQQQAZDSWZNCG-GJZGRUSLSA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100012642 775567042 /nfs/dbraw/zinc/56/70/42/775567042.db2.gz AVQQQAZDSWZNCG-GJZGRUSLSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384785 775834331 /nfs/dbraw/zinc/83/43/31/775834331.db2.gz JDBNCZIGSPUNJM-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384785 775834333 /nfs/dbraw/zinc/83/43/33/775834333.db2.gz JDBNCZIGSPUNJM-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384785 775834336 /nfs/dbraw/zinc/83/43/36/775834336.db2.gz JDBNCZIGSPUNJM-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384785 775834339 /nfs/dbraw/zinc/83/43/39/775834339.db2.gz JDBNCZIGSPUNJM-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417214 775846519 /nfs/dbraw/zinc/84/65/19/775846519.db2.gz NJSWYIYCGDDOOG-YQVWRLOYSA-N 2 1 317.477 1.875 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171628970 776354272 /nfs/dbraw/zinc/35/42/72/776354272.db2.gz DFWCLAXGVCPYIT-ZDUSSCGKSA-N 2 1 306.410 1.248 20 30 DDEDMP C[C@H](CCCC#N)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001172497329 776802909 /nfs/dbraw/zinc/80/29/09/776802909.db2.gz AZUMYJWKBOKKTK-CQSZACIVSA-N 2 1 317.437 1.593 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CCC)C[C@]2(C)C1 ZINC001101438679 777140897 /nfs/dbraw/zinc/14/08/97/777140897.db2.gz NQIYNQHTGGZLED-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101438679 777140907 /nfs/dbraw/zinc/14/09/07/777140907.db2.gz NQIYNQHTGGZLED-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101438679 777140912 /nfs/dbraw/zinc/14/09/12/777140912.db2.gz NQIYNQHTGGZLED-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101438679 777140918 /nfs/dbraw/zinc/14/09/18/777140918.db2.gz NQIYNQHTGGZLED-ZBFHGGJFSA-N 2 1 313.873 1.861 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185660 777916725 /nfs/dbraw/zinc/91/67/25/777916725.db2.gz NETQCTBTXKLQOG-OIISXLGYSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102582942 778223317 /nfs/dbraw/zinc/22/33/17/778223317.db2.gz DLSKSQPWVUIPCK-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102589662 778227111 /nfs/dbraw/zinc/22/71/11/778227111.db2.gz ZIHQBJAQONIFPU-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102589662 778227115 /nfs/dbraw/zinc/22/71/15/778227115.db2.gz ZIHQBJAQONIFPU-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589662 778227117 /nfs/dbraw/zinc/22/71/17/778227117.db2.gz ZIHQBJAQONIFPU-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589662 778227122 /nfs/dbraw/zinc/22/71/22/778227122.db2.gz ZIHQBJAQONIFPU-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136710 778660062 /nfs/dbraw/zinc/66/00/62/778660062.db2.gz OZMCQZMJNMOBGB-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136710 778660068 /nfs/dbraw/zinc/66/00/68/778660068.db2.gz OZMCQZMJNMOBGB-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136710 778660071 /nfs/dbraw/zinc/66/00/71/778660071.db2.gz OZMCQZMJNMOBGB-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136710 778660075 /nfs/dbraw/zinc/66/00/75/778660075.db2.gz OZMCQZMJNMOBGB-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233223 778727115 /nfs/dbraw/zinc/72/71/15/778727115.db2.gz DRKHDVMRGZDYMU-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233223 778727120 /nfs/dbraw/zinc/72/71/20/778727120.db2.gz DRKHDVMRGZDYMU-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534939 779398218 /nfs/dbraw/zinc/39/82/18/779398218.db2.gz ZAZPORUMOVEEBR-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788019 779487455 /nfs/dbraw/zinc/48/74/55/779487455.db2.gz JEDQKNUORHPNDG-IRXDYDNUSA-N 2 1 305.466 1.903 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123765 779889510 /nfs/dbraw/zinc/88/95/10/779889510.db2.gz WAVFFRAANYPQBW-WCVJEAGWSA-N 2 1 303.450 1.483 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536869 780221684 /nfs/dbraw/zinc/22/16/84/780221684.db2.gz KRWRQQLJPYACEU-IRXDYDNUSA-N 2 1 317.477 1.903 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001119310128 781400787 /nfs/dbraw/zinc/40/07/87/781400787.db2.gz WCYCFDHJPWIZHC-HRCADAONSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC001119310128 781400791 /nfs/dbraw/zinc/40/07/91/781400791.db2.gz WCYCFDHJPWIZHC-HRCADAONSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC001119310128 781400796 /nfs/dbraw/zinc/40/07/96/781400796.db2.gz WCYCFDHJPWIZHC-HRCADAONSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC001119310128 781400801 /nfs/dbraw/zinc/40/08/01/781400801.db2.gz WCYCFDHJPWIZHC-HRCADAONSA-N 2 1 304.438 1.010 20 30 DDEDMP COCC#CC[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001267145433 837414069 /nfs/dbraw/zinc/41/40/69/837414069.db2.gz FALVPCDXMOOHMD-OAHLLOKOSA-N 2 1 320.437 1.141 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267179366 837479108 /nfs/dbraw/zinc/47/91/08/837479108.db2.gz OQBYBBQNEHEAND-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001266469650 836307849 /nfs/dbraw/zinc/30/78/49/836307849.db2.gz QBBNVHIOHFDRSK-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267086276 837314925 /nfs/dbraw/zinc/31/49/25/837314925.db2.gz UFFCTJGMDBZYCQ-KBPBESRZSA-N 2 1 320.437 1.943 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267543883 838278834 /nfs/dbraw/zinc/27/88/34/838278834.db2.gz GYJVPQMQKKWQCK-HZPDHXFCSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267568107 838322118 /nfs/dbraw/zinc/32/21/18/838322118.db2.gz RWHYVHYSUHUGPL-OAHLLOKOSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267568107 838322129 /nfs/dbraw/zinc/32/21/29/838322129.db2.gz RWHYVHYSUHUGPL-OAHLLOKOSA-N 2 1 302.422 1.468 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267582761 838362885 /nfs/dbraw/zinc/36/28/85/838362885.db2.gz KNFJAVOAKVTITH-YESZJQIVSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267582761 838362889 /nfs/dbraw/zinc/36/28/89/838362889.db2.gz KNFJAVOAKVTITH-YESZJQIVSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267582761 838362902 /nfs/dbraw/zinc/36/29/02/838362902.db2.gz KNFJAVOAKVTITH-YESZJQIVSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC2CC2)CC1 ZINC001268259105 839908059 /nfs/dbraw/zinc/90/80/59/839908059.db2.gz HSJPPXNJMOPHHG-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269295363 841482393 /nfs/dbraw/zinc/48/23/93/841482393.db2.gz CYVOQEBVCBHXGS-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001269295363 841482399 /nfs/dbraw/zinc/48/23/99/841482399.db2.gz CYVOQEBVCBHXGS-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001270041790 842248753 /nfs/dbraw/zinc/24/87/53/842248753.db2.gz JNBAWXVNVFVXLB-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001271043618 843158126 /nfs/dbraw/zinc/15/81/26/843158126.db2.gz FEHNQRQFNGYPIG-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCOCC1 ZINC001271043311 843158240 /nfs/dbraw/zinc/15/82/40/843158240.db2.gz ABGXBNLLUPJSMP-MRXNPFEDSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271199481 843405555 /nfs/dbraw/zinc/40/55/55/843405555.db2.gz AYGYJZBWGKCTEB-QGZVFWFLSA-N 2 1 320.437 1.136 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001271199481 843405560 /nfs/dbraw/zinc/40/55/60/843405560.db2.gz AYGYJZBWGKCTEB-QGZVFWFLSA-N 2 1 320.437 1.136 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001273101690 847910193 /nfs/dbraw/zinc/91/01/93/847910193.db2.gz ZNUYEWPOENJPAP-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249959 848157500 /nfs/dbraw/zinc/15/75/00/848157500.db2.gz NNDVYWYDLALEJT-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249959 848157503 /nfs/dbraw/zinc/15/75/03/848157503.db2.gz NNDVYWYDLALEJT-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273145704 848578163 /nfs/dbraw/zinc/57/81/63/848578163.db2.gz XWCQABIYSDPKJU-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001273145704 848578169 /nfs/dbraw/zinc/57/81/69/848578169.db2.gz XWCQABIYSDPKJU-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273145704 848578170 /nfs/dbraw/zinc/57/81/70/848578170.db2.gz XWCQABIYSDPKJU-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273145704 848578172 /nfs/dbraw/zinc/57/81/72/848578172.db2.gz XWCQABIYSDPKJU-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001327333069 862071999 /nfs/dbraw/zinc/07/19/99/862071999.db2.gz ZUBOFQBDPBSXCX-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001274318965 852154346 /nfs/dbraw/zinc/15/43/46/852154346.db2.gz VXVVSXBTHVNYGB-LLYBFZRZSA-N 2 1 300.406 1.039 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001275121942 852823590 /nfs/dbraw/zinc/82/35/90/852823590.db2.gz SVQOADYFQRWDAC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275121942 852823594 /nfs/dbraw/zinc/82/35/94/852823594.db2.gz SVQOADYFQRWDAC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001275121942 852823598 /nfs/dbraw/zinc/82/35/98/852823598.db2.gz SVQOADYFQRWDAC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001275526319 853282352 /nfs/dbraw/zinc/28/23/52/853282352.db2.gz DYKPALOSKJAYHH-KGLIPLIRSA-N 2 1 311.389 1.387 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150795900 862472464 /nfs/dbraw/zinc/47/24/64/862472464.db2.gz RFEFZLJMSXNQHX-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001328097735 862692272 /nfs/dbraw/zinc/69/22/72/862692272.db2.gz IMDDIJREJXSYKO-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001156131114 862744711 /nfs/dbraw/zinc/74/47/11/862744711.db2.gz FECIZSRDATYTRU-MRXNPFEDSA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072983371 857966078 /nfs/dbraw/zinc/96/60/78/857966078.db2.gz UMJCXADFHVVKBU-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983371 857966085 /nfs/dbraw/zinc/96/60/85/857966085.db2.gz UMJCXADFHVVKBU-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983371 857966091 /nfs/dbraw/zinc/96/60/91/857966091.db2.gz UMJCXADFHVVKBU-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001224569026 881453493 /nfs/dbraw/zinc/45/34/93/881453493.db2.gz FCJUTLVSEONNRK-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325946895 860980356 /nfs/dbraw/zinc/98/03/56/860980356.db2.gz VDEGEEWJZAPHBS-DLBZAZTESA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325946895 860980369 /nfs/dbraw/zinc/98/03/69/860980369.db2.gz VDEGEEWJZAPHBS-DLBZAZTESA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001325946895 860980379 /nfs/dbraw/zinc/98/03/79/860980379.db2.gz VDEGEEWJZAPHBS-DLBZAZTESA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013170 863518512 /nfs/dbraw/zinc/51/85/12/863518512.db2.gz GFFJRZUVUXGFCX-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013170 863518519 /nfs/dbraw/zinc/51/85/19/863518519.db2.gz GFFJRZUVUXGFCX-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157013170 863518528 /nfs/dbraw/zinc/51/85/28/863518528.db2.gz GFFJRZUVUXGFCX-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157013170 863518538 /nfs/dbraw/zinc/51/85/38/863518538.db2.gz GFFJRZUVUXGFCX-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC2CC2)CC1 ZINC001157092391 863568010 /nfs/dbraw/zinc/56/80/10/863568010.db2.gz WDLOHRLRBKKTAI-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157118252 863597685 /nfs/dbraw/zinc/59/76/85/863597685.db2.gz AQCYYXLDAHMUSD-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001157118252 863597689 /nfs/dbraw/zinc/59/76/89/863597689.db2.gz AQCYYXLDAHMUSD-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001329515125 863705467 /nfs/dbraw/zinc/70/54/67/863705467.db2.gz KUOUHQJTASMBTP-DZGCQCFKSA-N 2 1 302.422 1.214 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001329515125 863705474 /nfs/dbraw/zinc/70/54/74/863705474.db2.gz KUOUHQJTASMBTP-DZGCQCFKSA-N 2 1 302.422 1.214 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001153387425 863864761 /nfs/dbraw/zinc/86/47/61/863864761.db2.gz ACKPBLWQWUNOKO-NVXWUHKLSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001330407131 864317258 /nfs/dbraw/zinc/31/72/58/864317258.db2.gz XTHPXDYKJCTECA-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP N#Cc1c[nH]c2cc[nH+]c(NCc3ncn4c3C[NH2+]CCC4)c12 ZINC001158362145 864603899 /nfs/dbraw/zinc/60/38/99/864603899.db2.gz DRLGFCVSGPXZDP-UHFFFAOYSA-N 2 1 307.361 1.736 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001158420626 864642190 /nfs/dbraw/zinc/64/21/90/864642190.db2.gz IAOIIJLFNIMRBT-IUODEOHRSA-N 2 1 320.462 1.556 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCN3CCOCC3)CCC[C@@H]12 ZINC001332109725 865583522 /nfs/dbraw/zinc/58/35/22/865583522.db2.gz HCNZJLANVMMEQG-SJLPKXTDSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001332109725 865583533 /nfs/dbraw/zinc/58/35/33/865583533.db2.gz HCNZJLANVMMEQG-SJLPKXTDSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001332109725 865583546 /nfs/dbraw/zinc/58/35/46/865583546.db2.gz HCNZJLANVMMEQG-SJLPKXTDSA-N 2 1 321.465 1.398 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC#CCOC)CC2 ZINC001332118018 865590055 /nfs/dbraw/zinc/59/00/55/865590055.db2.gz NEDCJAXQTCNQCD-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC#CCOC)CC2 ZINC001332118018 865590062 /nfs/dbraw/zinc/59/00/62/865590062.db2.gz NEDCJAXQTCNQCD-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC#CCOC)CC2 ZINC001332118018 865590073 /nfs/dbraw/zinc/59/00/73/865590073.db2.gz NEDCJAXQTCNQCD-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001160386214 865810635 /nfs/dbraw/zinc/81/06/35/865810635.db2.gz NFUUKJSQRPKTNV-SFHVURJKSA-N 2 1 313.445 1.246 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001160386214 865810649 /nfs/dbraw/zinc/81/06/49/865810649.db2.gz NFUUKJSQRPKTNV-SFHVURJKSA-N 2 1 313.445 1.246 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001160386214 865810662 /nfs/dbraw/zinc/81/06/62/865810662.db2.gz NFUUKJSQRPKTNV-SFHVURJKSA-N 2 1 313.445 1.246 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001160386214 865810683 /nfs/dbraw/zinc/81/06/83/865810683.db2.gz NFUUKJSQRPKTNV-SFHVURJKSA-N 2 1 313.445 1.246 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001225652746 881960719 /nfs/dbraw/zinc/96/07/19/881960719.db2.gz KXMWMIGLOOEUDV-UHFFFAOYSA-N 2 1 313.445 1.580 20 30 DDEDMP CN(C)C(=[NH+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)N(C)C ZINC001333039631 866362492 /nfs/dbraw/zinc/36/24/92/866362492.db2.gz GGNNBFZDWKWCPJ-UHFFFAOYSA-N 2 1 317.481 1.413 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001161205291 866442104 /nfs/dbraw/zinc/44/21/04/866442104.db2.gz CIRALCOLUYMTFQ-MRXNPFEDSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001320414091 866716931 /nfs/dbraw/zinc/71/69/31/866716931.db2.gz ABLYMMDEINQZAP-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1 ZINC001320449608 866746389 /nfs/dbraw/zinc/74/63/89/866746389.db2.gz FKJUATBRFMTMSK-RDJZCZTQSA-N 2 1 314.433 1.164 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1 ZINC001320449608 866746396 /nfs/dbraw/zinc/74/63/96/866746396.db2.gz FKJUATBRFMTMSK-RDJZCZTQSA-N 2 1 314.433 1.164 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC(F)(F)F ZINC001320756379 867007070 /nfs/dbraw/zinc/00/70/70/867007070.db2.gz VXJQRRJJDBBRDB-ZDUSSCGKSA-N 2 1 319.371 1.475 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC(F)(F)F ZINC001320756379 867007088 /nfs/dbraw/zinc/00/70/88/867007088.db2.gz VXJQRRJJDBBRDB-ZDUSSCGKSA-N 2 1 319.371 1.475 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001324065816 867045621 /nfs/dbraw/zinc/04/56/21/867045621.db2.gz BAUBVEJGMBPOTC-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001324087857 867061580 /nfs/dbraw/zinc/06/15/80/867061580.db2.gz JPYVOAGYUFGRLG-ZBFHGGJFSA-N 2 1 302.422 1.574 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001320999226 867190817 /nfs/dbraw/zinc/19/08/17/867190817.db2.gz SVCKNSABVSMYSK-YATRRXNKSA-N 2 1 312.417 1.414 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001321991567 867922554 /nfs/dbraw/zinc/92/25/54/867922554.db2.gz MZJVKPAYTJSNBR-JQHSSLGASA-N 2 1 313.445 1.449 20 30 DDEDMP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001325421050 868016463 /nfs/dbraw/zinc/01/64/63/868016463.db2.gz YZXZWXVPZPNUBY-OLZOCXBDSA-N 2 1 306.410 1.362 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940728 868810053 /nfs/dbraw/zinc/81/00/53/868810053.db2.gz PIPURYJPTKKWOE-JKSUJKDBSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940728 868810064 /nfs/dbraw/zinc/81/00/64/868810064.db2.gz PIPURYJPTKKWOE-JKSUJKDBSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531508 869264407 /nfs/dbraw/zinc/26/44/07/869264407.db2.gz LGNDOJVTOYPGOW-HZPDHXFCSA-N 2 1 305.466 1.923 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165735772 869695346 /nfs/dbraw/zinc/69/53/46/869695346.db2.gz FHHPEOKBMSGLFX-IAGOWNOFSA-N 2 1 317.477 1.903 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001317175235 870417194 /nfs/dbraw/zinc/41/71/94/870417194.db2.gz ZATIGPTVDBRSRY-CVEARBPZSA-N 2 1 311.445 1.660 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001317175235 870417199 /nfs/dbraw/zinc/41/71/99/870417199.db2.gz ZATIGPTVDBRSRY-CVEARBPZSA-N 2 1 311.445 1.660 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001317193505 870447485 /nfs/dbraw/zinc/44/74/85/870447485.db2.gz FVLFLOVAPWBLTJ-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001317391012 870755985 /nfs/dbraw/zinc/75/59/85/870755985.db2.gz ZOTICDJNWGHFCT-WMZOPIPTSA-N 2 1 313.445 1.617 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001203904517 870827351 /nfs/dbraw/zinc/82/73/51/870827351.db2.gz ZEWMZKXJMBMMFA-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317800790 871523795 /nfs/dbraw/zinc/52/37/95/871523795.db2.gz KNJBZHHZIYQJGZ-YJBOKZPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317800790 871523805 /nfs/dbraw/zinc/52/38/05/871523805.db2.gz KNJBZHHZIYQJGZ-YJBOKZPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317800790 871523816 /nfs/dbraw/zinc/52/38/16/871523816.db2.gz KNJBZHHZIYQJGZ-YJBOKZPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317862953 871604025 /nfs/dbraw/zinc/60/40/25/871604025.db2.gz KFSCWRRIQXQDHD-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001318024584 871694145 /nfs/dbraw/zinc/69/41/45/871694145.db2.gz CLGSGFWNGNDWKU-AWEZNQCLSA-N 2 1 319.453 1.213 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001318214464 871834913 /nfs/dbraw/zinc/83/49/13/871834913.db2.gz GCWFQWWPOSWIHL-HOTGVXAUSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001318214464 871834933 /nfs/dbraw/zinc/83/49/33/871834933.db2.gz GCWFQWWPOSWIHL-HOTGVXAUSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001318214464 871834956 /nfs/dbraw/zinc/83/49/56/871834956.db2.gz GCWFQWWPOSWIHL-HOTGVXAUSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001318214464 871834977 /nfs/dbraw/zinc/83/49/77/871834977.db2.gz GCWFQWWPOSWIHL-HOTGVXAUSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317045271 871911593 /nfs/dbraw/zinc/91/15/93/871911593.db2.gz POCOOKNNRWTNPO-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317045271 871911597 /nfs/dbraw/zinc/91/15/97/871911597.db2.gz POCOOKNNRWTNPO-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317045271 871911607 /nfs/dbraw/zinc/91/16/07/871911607.db2.gz POCOOKNNRWTNPO-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(C#Cc3ccccc3)cc2)C[C@H]1O ZINC001205952907 871947178 /nfs/dbraw/zinc/94/71/78/871947178.db2.gz GHRLTQAMDUXUDC-WOJBJXKFSA-N 2 1 306.409 1.980 20 30 DDEDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C[C@H]1O ZINC001205952907 871947188 /nfs/dbraw/zinc/94/71/88/871947188.db2.gz GHRLTQAMDUXUDC-WOJBJXKFSA-N 2 1 306.409 1.980 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001316762977 872008247 /nfs/dbraw/zinc/00/82/47/872008247.db2.gz IDZUZDDCMABSFT-KRWDZBQOSA-N 2 1 323.481 1.289 20 30 DDEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001316762977 872008266 /nfs/dbraw/zinc/00/82/66/872008266.db2.gz IDZUZDDCMABSFT-KRWDZBQOSA-N 2 1 323.481 1.289 20 30 DDEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001316762977 872008286 /nfs/dbraw/zinc/00/82/86/872008286.db2.gz IDZUZDDCMABSFT-KRWDZBQOSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCCC1 ZINC001319362118 872597670 /nfs/dbraw/zinc/59/76/70/872597670.db2.gz RDIIHPWNZSKDKB-CVEARBPZSA-N 2 1 323.456 1.851 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](F)CC)CCCC1 ZINC001319362118 872597680 /nfs/dbraw/zinc/59/76/80/872597680.db2.gz RDIIHPWNZSKDKB-CVEARBPZSA-N 2 1 323.456 1.851 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(=C)C)C1 ZINC001208352934 874049041 /nfs/dbraw/zinc/04/90/41/874049041.db2.gz SJWFDUDJYAEOIF-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC(=C)C)C1 ZINC001208352934 874049056 /nfs/dbraw/zinc/04/90/56/874049056.db2.gz SJWFDUDJYAEOIF-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001378410629 874830595 /nfs/dbraw/zinc/83/05/95/874830595.db2.gz IGFASQCIXYLYGM-XJKSGUPXSA-N 2 1 313.873 1.955 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209566011 874975601 /nfs/dbraw/zinc/97/56/01/874975601.db2.gz MIPQIKTYPXLMTJ-BRWVUGGUSA-N 2 1 307.482 1.813 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001276656197 874996989 /nfs/dbraw/zinc/99/69/89/874996989.db2.gz LOCJAFWVVBVCJM-WBVHZDCISA-N 2 1 314.433 1.262 20 30 DDEDMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]([NH3+])CCCC#N ZINC001349458016 875184523 /nfs/dbraw/zinc/18/45/23/875184523.db2.gz NOPOOEGJATUJTJ-AWEZNQCLSA-N 2 1 312.377 1.213 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001378611469 875226533 /nfs/dbraw/zinc/22/65/33/875226533.db2.gz WPIQGLKHLXWQQS-RISCZKNCSA-N 2 1 324.856 1.848 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210674197 875485196 /nfs/dbraw/zinc/48/51/96/875485196.db2.gz OQBZFTPMSDXIEC-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219179 875853932 /nfs/dbraw/zinc/85/39/32/875853932.db2.gz DZNVBYGFLXPRTR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219179 875853940 /nfs/dbraw/zinc/85/39/40/875853940.db2.gz DZNVBYGFLXPRTR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219179 875853948 /nfs/dbraw/zinc/85/39/48/875853948.db2.gz DZNVBYGFLXPRTR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H](OC)C1 ZINC001213219179 875853956 /nfs/dbraw/zinc/85/39/56/875853956.db2.gz DZNVBYGFLXPRTR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213448925 875941608 /nfs/dbraw/zinc/94/16/08/875941608.db2.gz BAMNUTHXKGPXFU-HUUCEWRRSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934567 876108886 /nfs/dbraw/zinc/10/88/86/876108886.db2.gz XQHHZDOZNBBCPH-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001220493368 879059861 /nfs/dbraw/zinc/05/98/61/879059861.db2.gz ZHZWLTYCFAKVBI-BMFAXAFESA-N 2 1 311.429 1.649 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001380287502 879238193 /nfs/dbraw/zinc/23/81/93/879238193.db2.gz ZUGPHVQLGJSVMO-CQSZACIVSA-N 2 1 315.845 1.042 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947127 880161226 /nfs/dbraw/zinc/16/12/26/880161226.db2.gz SQCLQQNLOKVHNL-GVDBMIGSSA-N 2 1 323.481 1.452 20 30 DDEDMP COc1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(C#N)c1 ZINC001222090432 880234507 /nfs/dbraw/zinc/23/45/07/880234507.db2.gz AXDLJJOEPJGSNL-UHFFFAOYSA-N 2 1 300.406 1.094 20 30 DDEDMP COc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(C#N)c1 ZINC001222090432 880234513 /nfs/dbraw/zinc/23/45/13/880234513.db2.gz AXDLJJOEPJGSNL-UHFFFAOYSA-N 2 1 300.406 1.094 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001224289164 881310025 /nfs/dbraw/zinc/31/00/25/881310025.db2.gz HVZBHFYKFTYZEO-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001230284729 884408356 /nfs/dbraw/zinc/40/83/56/884408356.db2.gz SDIVNNANUGYBDR-ZACQAIPSSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235522910 888706916 /nfs/dbraw/zinc/70/69/16/888706916.db2.gz QXXQTSCMAQUJBM-BQFCYCMXSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@@]12CCCO[C@H]1CCN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522910 888706925 /nfs/dbraw/zinc/70/69/25/888706925.db2.gz QXXQTSCMAQUJBM-BQFCYCMXSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522910 888706931 /nfs/dbraw/zinc/70/69/31/888706931.db2.gz QXXQTSCMAQUJBM-BQFCYCMXSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522910 888706947 /nfs/dbraw/zinc/70/69/47/888706947.db2.gz QXXQTSCMAQUJBM-BQFCYCMXSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246306261 892529079 /nfs/dbraw/zinc/52/90/79/892529079.db2.gz UTAQDVUZMCMQEW-RDBSUJKOSA-N 2 1 313.398 1.248 20 30 DDEDMP C=CCOCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001278617351 894509786 /nfs/dbraw/zinc/50/97/86/894509786.db2.gz BNOVSCNKMDSPMS-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001278691074 895601233 /nfs/dbraw/zinc/60/12/33/895601233.db2.gz WUMZTOMCSQSZLL-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCOCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001281023570 897736017 /nfs/dbraw/zinc/73/60/17/897736017.db2.gz MHIBFWHNYNJOQP-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001258729824 898304653 /nfs/dbraw/zinc/30/46/53/898304653.db2.gz YRFGRQNKEMKQSY-AWEZNQCLSA-N 2 1 304.438 1.865 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC001390538408 899633793 /nfs/dbraw/zinc/63/37/93/899633793.db2.gz ZWENCJLNDWSSGV-ZDUSSCGKSA-N 2 1 320.412 1.632 20 30 DDEDMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001390719853 900011898 /nfs/dbraw/zinc/01/18/98/900011898.db2.gz QUEAEEMSGYFFAU-QWHCGFSZSA-N 2 1 320.462 1.556 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001264723321 901310451 /nfs/dbraw/zinc/31/04/51/901310451.db2.gz CAVYLICXDVMGRH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001264723321 901310460 /nfs/dbraw/zinc/31/04/60/901310460.db2.gz CAVYLICXDVMGRH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265224389 901736456 /nfs/dbraw/zinc/73/64/56/901736456.db2.gz BZRRLPVTBIRIAN-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265224389 901736463 /nfs/dbraw/zinc/73/64/63/901736463.db2.gz BZRRLPVTBIRIAN-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265224389 901736477 /nfs/dbraw/zinc/73/64/77/901736477.db2.gz BZRRLPVTBIRIAN-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001265736363 902353122 /nfs/dbraw/zinc/35/31/22/902353122.db2.gz RBHUIWSZCQNBFU-JCYILVPMSA-N 2 1 301.434 1.124 20 30 DDEDMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001265736363 902353108 /nfs/dbraw/zinc/35/31/08/902353108.db2.gz RBHUIWSZCQNBFU-JCYILVPMSA-N 2 1 301.434 1.124 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1cccs1 ZINC001265785655 902405868 /nfs/dbraw/zinc/40/58/68/902405868.db2.gz FOROMQRNOFFRTG-HOCLYGCPSA-N 2 1 319.474 1.483 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCc1cccs1 ZINC001265785655 902405873 /nfs/dbraw/zinc/40/58/73/902405873.db2.gz FOROMQRNOFFRTG-HOCLYGCPSA-N 2 1 319.474 1.483 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001265947447 902644024 /nfs/dbraw/zinc/64/40/24/902644024.db2.gz LSWNXVHRGHPSCS-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001265947447 902644027 /nfs/dbraw/zinc/64/40/27/902644027.db2.gz LSWNXVHRGHPSCS-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001279431984 903257599 /nfs/dbraw/zinc/25/75/99/903257599.db2.gz VIEFZMWFUWLYJG-QGZVFWFLSA-N 2 1 322.497 1.217 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001280726960 903960116 /nfs/dbraw/zinc/96/01/16/903960116.db2.gz KGWNKLUYTLYNHG-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001280726960 903960124 /nfs/dbraw/zinc/96/01/24/903960124.db2.gz KGWNKLUYTLYNHG-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001280726960 903960136 /nfs/dbraw/zinc/96/01/36/903960136.db2.gz KGWNKLUYTLYNHG-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001280726960 903960147 /nfs/dbraw/zinc/96/01/47/903960147.db2.gz KGWNKLUYTLYNHG-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cc(C#N)ccc1F ZINC001392609853 904603446 /nfs/dbraw/zinc/60/34/46/904603446.db2.gz DSPIIKWLRSDSNV-ZDUSSCGKSA-N 2 1 320.412 1.633 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001281969880 905378939 /nfs/dbraw/zinc/37/89/39/905378939.db2.gz XCVFBKTYAHAREP-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C=CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001282580439 905877475 /nfs/dbraw/zinc/87/74/75/905877475.db2.gz ORZCACTVUYTAEX-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001282676969 905941864 /nfs/dbraw/zinc/94/18/64/905941864.db2.gz WOENFGZDSAMHBG-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001282676969 905941872 /nfs/dbraw/zinc/94/18/72/905941872.db2.gz WOENFGZDSAMHBG-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001282676969 905941884 /nfs/dbraw/zinc/94/18/84/905941884.db2.gz WOENFGZDSAMHBG-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001372041438 906312766 /nfs/dbraw/zinc/31/27/66/906312766.db2.gz ALANJWCDRCZVCD-UHFFFAOYSA-N 2 1 311.389 1.311 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001372041438 906312781 /nfs/dbraw/zinc/31/27/81/906312781.db2.gz ALANJWCDRCZVCD-UHFFFAOYSA-N 2 1 311.389 1.311 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001283331698 907150000 /nfs/dbraw/zinc/15/00/00/907150000.db2.gz FJPXPUGUHUHONU-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001283331698 907150008 /nfs/dbraw/zinc/15/00/08/907150008.db2.gz FJPXPUGUHUHONU-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001283331698 907150017 /nfs/dbraw/zinc/15/00/17/907150017.db2.gz FJPXPUGUHUHONU-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001284029267 908342133 /nfs/dbraw/zinc/34/21/33/908342133.db2.gz DICVBHLGTOGFNH-WBVHZDCISA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001284029267 908342146 /nfs/dbraw/zinc/34/21/46/908342146.db2.gz DICVBHLGTOGFNH-WBVHZDCISA-N 2 1 301.434 1.883 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001284223229 908681507 /nfs/dbraw/zinc/68/15/07/908681507.db2.gz DPVWSRAMYNYTQR-SJORKVTESA-N 2 1 316.449 1.870 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001376164399 917854602 /nfs/dbraw/zinc/85/46/02/917854602.db2.gz SVYONVKOQVYDIX-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001376164399 917854611 /nfs/dbraw/zinc/85/46/11/917854611.db2.gz SVYONVKOQVYDIX-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001376164399 917854620 /nfs/dbraw/zinc/85/46/20/917854620.db2.gz SVYONVKOQVYDIX-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(C#N)CC1 ZINC000590202313 355058382 /nfs/dbraw/zinc/05/83/82/355058382.db2.gz GPSHPQGVFYPBNG-HNNXBMFYSA-N 2 1 306.454 1.555 20 30 DDEDMP C=CCCSCC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000594959786 356364943 /nfs/dbraw/zinc/36/49/43/356364943.db2.gz DQHPTUFKVAKDJH-UHFFFAOYSA-N 2 1 321.494 1.627 20 30 DDEDMP CCc1nnc(NCC[N@H+](C)CCC[NH+](C)C)c(C#N)c1CC ZINC000596426017 356875500 /nfs/dbraw/zinc/87/55/00/356875500.db2.gz YZVSWHIGIYWHOP-UHFFFAOYSA-N 2 1 318.469 1.768 20 30 DDEDMP CCc1nnc(NCC[N@@H+](C)CCC[NH+](C)C)c(C#N)c1CC ZINC000596426017 356875502 /nfs/dbraw/zinc/87/55/02/356875502.db2.gz YZVSWHIGIYWHOP-UHFFFAOYSA-N 2 1 318.469 1.768 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(F)c1C#N ZINC000597943358 357392483 /nfs/dbraw/zinc/39/24/83/357392483.db2.gz ZAXXUALJXIULGW-ZDUSSCGKSA-N 2 1 320.412 1.699 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(F)c1C#N ZINC000597943358 357392488 /nfs/dbraw/zinc/39/24/88/357392488.db2.gz ZAXXUALJXIULGW-ZDUSSCGKSA-N 2 1 320.412 1.699 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000598598519 357647962 /nfs/dbraw/zinc/64/79/62/357647962.db2.gz AFZODMWQFGTVSO-ZACQAIPSSA-N 2 1 322.497 1.245 20 30 DDEDMP COCC[NH+]1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602528841 359028722 /nfs/dbraw/zinc/02/87/22/359028722.db2.gz LPAJGYDCOCQYIA-HNNXBMFYSA-N 2 1 309.454 1.786 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602577445 359052649 /nfs/dbraw/zinc/05/26/49/359052649.db2.gz UJGUUQHNDWOMGW-SJORKVTESA-N 2 1 314.433 1.646 20 30 DDEDMP CC(C)(C)NC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000104167733 407348613 /nfs/dbraw/zinc/34/86/13/407348613.db2.gz FFFGHODRBZFEEU-OAHLLOKOSA-N 2 1 304.438 1.108 20 30 DDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC[C@](C)(O)c1cccs1 ZINC000261786360 407616986 /nfs/dbraw/zinc/61/69/86/407616986.db2.gz QMDHOKFNHKTGJT-DOMZBBRYSA-N 2 1 310.467 1.215 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(C2CC2)cs1 ZINC000153207728 407776600 /nfs/dbraw/zinc/77/66/00/407776600.db2.gz AAHKAOSJVNGEFI-LBPRGKRZSA-N 2 1 307.467 1.909 20 30 DDEDMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000187056562 407819965 /nfs/dbraw/zinc/81/99/65/407819965.db2.gz SZUITWOMAKTGJC-QGZVFWFLSA-N 2 1 316.449 1.544 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193621498 408730811 /nfs/dbraw/zinc/73/08/11/408730811.db2.gz GRRPXJNQVBTNPN-SOUVJXGZSA-N 2 1 304.438 1.211 20 30 DDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233964 409006368 /nfs/dbraw/zinc/00/63/68/409006368.db2.gz WCTVYAQKOLCFQK-SJLPKXTDSA-N 2 1 315.417 1.326 20 30 DDEDMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233964 409006371 /nfs/dbraw/zinc/00/63/71/409006371.db2.gz WCTVYAQKOLCFQK-SJLPKXTDSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233964 409006374 /nfs/dbraw/zinc/00/63/74/409006374.db2.gz WCTVYAQKOLCFQK-SJLPKXTDSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233964 409006375 /nfs/dbraw/zinc/00/63/75/409006375.db2.gz WCTVYAQKOLCFQK-SJLPKXTDSA-N 2 1 315.417 1.326 20 30 DDEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C12CCC2 ZINC000304790432 409645233 /nfs/dbraw/zinc/64/52/33/409645233.db2.gz KIOQXNRNXYWYON-SOUVJXGZSA-N 2 1 308.470 1.723 20 30 DDEDMP C(#CC[N@H+]1CCC[C@@]12CCOC2)C[NH+]1CCC[C@@]12CCOC2 ZINC000366948094 418541129 /nfs/dbraw/zinc/54/11/29/418541129.db2.gz VLHVTBONHKEARV-ROUUACIJSA-N 2 1 304.434 1.500 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@](C)(CC)C1 ZINC000261674947 222253457 /nfs/dbraw/zinc/25/34/57/222253457.db2.gz CMNBSMVPASJPDU-WBVHZDCISA-N 2 1 309.502 1.320 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)N1CC[C@]2(CCOC2)C1 ZINC000262012185 222269742 /nfs/dbraw/zinc/26/97/42/222269742.db2.gz WULAPLAKQFCZEE-SFHVURJKSA-N 2 1 322.497 1.939 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(OC)cc1 ZINC000264074575 222313516 /nfs/dbraw/zinc/31/35/16/222313516.db2.gz FGKUUALFOTVSPL-ZBFHGGJFSA-N 2 1 320.437 1.117 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000371480750 418794839 /nfs/dbraw/zinc/79/48/39/418794839.db2.gz QRXAJKNQWRNWNM-HOCLYGCPSA-N 2 1 306.454 1.372 20 30 DDEDMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)CC#N)cn2)CC1 ZINC000459726353 420858111 /nfs/dbraw/zinc/85/81/11/420858111.db2.gz FCTIEJZKUFHGOE-UHFFFAOYSA-N 2 1 302.426 1.258 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000454469597 420863294 /nfs/dbraw/zinc/86/32/94/420863294.db2.gz VJUICFCWAFLMFB-ZBFHGGJFSA-N 2 1 306.454 1.372 20 30 DDEDMP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000543693131 421839842 /nfs/dbraw/zinc/83/98/42/421839842.db2.gz FRNBSGKJJJHXDP-UHFFFAOYSA-N 2 1 317.437 1.766 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000573676715 421999381 /nfs/dbraw/zinc/99/93/81/421999381.db2.gz NWUAUBWNMCXVHR-QGZVFWFLSA-N 2 1 304.434 1.975 20 30 DDEDMP CC[C@@H](CC#N)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000573739114 422006353 /nfs/dbraw/zinc/00/63/53/422006353.db2.gz CNEGUZGHPDWWNW-INIZCTEOSA-N 2 1 320.481 1.991 20 30 DDEDMP C=C(C)[C@H](CO)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000649304035 423736514 /nfs/dbraw/zinc/73/65/14/423736514.db2.gz BVFSNGLTZDJIPN-KRWDZBQOSA-N 2 1 323.481 1.190 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000261660613 276170579 /nfs/dbraw/zinc/17/05/79/276170579.db2.gz NVLGUERNJIWCIP-KBUPBQIOSA-N 2 1 306.454 1.333 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000171714041 337088771 /nfs/dbraw/zinc/08/87/71/337088771.db2.gz NSGDJJDWHSJQMS-CQSZACIVSA-N 2 1 306.454 1.420 20 30 DDEDMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1C#N ZINC000423121612 533898073 /nfs/dbraw/zinc/89/80/73/533898073.db2.gz JDRWXERAURNKNM-ZACQAIPSSA-N 2 1 315.417 1.814 20 30 DDEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000491153647 526977836 /nfs/dbraw/zinc/97/78/36/526977836.db2.gz BRIQKHHFHWHHJX-QGZVFWFLSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980239302 696716149 /nfs/dbraw/zinc/71/61/49/696716149.db2.gz MUNPUKYCUOYRSR-YESZJQIVSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972340979 695221482 /nfs/dbraw/zinc/22/14/82/695221482.db2.gz XSHYPVJEGKLVRA-CABCVRRESA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972340979 695221483 /nfs/dbraw/zinc/22/14/83/695221483.db2.gz XSHYPVJEGKLVRA-CABCVRRESA-N 2 1 302.422 1.473 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419492 695244917 /nfs/dbraw/zinc/24/49/17/695244917.db2.gz FNKQYCOQCGBYAV-WMZOPIPTSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419492 695244918 /nfs/dbraw/zinc/24/49/18/695244918.db2.gz FNKQYCOQCGBYAV-WMZOPIPTSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974586156 695691186 /nfs/dbraw/zinc/69/11/86/695691186.db2.gz JJNVSUSLSUPFJU-HZPDHXFCSA-N 2 1 303.450 1.178 20 30 DDEDMP Cc1ccc([C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)[NH+]2CCCC2)o1 ZINC000066246479 696350692 /nfs/dbraw/zinc/35/06/92/696350692.db2.gz AQZWVBBTZVHPAA-GJZGRUSLSA-N 2 1 320.437 1.808 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cc(C)ccc1OC ZINC000104157396 696618756 /nfs/dbraw/zinc/61/87/56/696618756.db2.gz UILCDUWJSFJNAQ-MRXNPFEDSA-N 2 1 318.465 1.935 20 30 DDEDMP C#CCOc1ccccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105477032 696622520 /nfs/dbraw/zinc/62/25/20/696622520.db2.gz LPRMZRHSCWQIAF-UHFFFAOYSA-N 2 1 315.461 1.816 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981681284 696872774 /nfs/dbraw/zinc/87/27/74/696872774.db2.gz BGHFZKWMXZTUSK-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981681284 696872777 /nfs/dbraw/zinc/87/27/77/696872777.db2.gz BGHFZKWMXZTUSK-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000982011428 697001854 /nfs/dbraw/zinc/00/18/54/697001854.db2.gz CGQFLVUKIBOYCI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011428 697001857 /nfs/dbraw/zinc/00/18/57/697001857.db2.gz CGQFLVUKIBOYCI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011428 697001859 /nfs/dbraw/zinc/00/18/59/697001859.db2.gz CGQFLVUKIBOYCI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152469 697019586 /nfs/dbraw/zinc/01/95/86/697019586.db2.gz JXSDBWCDGZCHFQ-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152469 697019589 /nfs/dbraw/zinc/01/95/89/697019589.db2.gz JXSDBWCDGZCHFQ-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981152469 697019592 /nfs/dbraw/zinc/01/95/92/697019592.db2.gz JXSDBWCDGZCHFQ-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981152469 697019595 /nfs/dbraw/zinc/01/95/95/697019595.db2.gz JXSDBWCDGZCHFQ-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982120027 697035145 /nfs/dbraw/zinc/03/51/45/697035145.db2.gz LQIHMZLNXKSWKC-UHFFFAOYSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981366194 697076819 /nfs/dbraw/zinc/07/68/19/697076819.db2.gz XSINVRLLWOKECK-LSDHHAIUSA-N 2 1 302.422 1.657 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@@]2(C)C1 ZINC000982831512 697183412 /nfs/dbraw/zinc/18/34/12/697183412.db2.gz NECHQKHCPMWVQC-RWQQGDIJSA-N 2 1 317.477 1.663 20 30 DDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000170914731 697352184 /nfs/dbraw/zinc/35/21/84/697352184.db2.gz AAVYHYXMMWCOKQ-HNNXBMFYSA-N 2 1 320.437 1.210 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000985427079 697509261 /nfs/dbraw/zinc/50/92/61/697509261.db2.gz CTDZLEVSKBOKHG-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000985427079 697509262 /nfs/dbraw/zinc/50/92/62/697509262.db2.gz CTDZLEVSKBOKHG-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000985427079 697509263 /nfs/dbraw/zinc/50/92/63/697509263.db2.gz CTDZLEVSKBOKHG-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC2CCC2)CC1 ZINC000985477030 697517325 /nfs/dbraw/zinc/51/73/25/697517325.db2.gz YUNALACTFUJPQD-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC000985477030 697517326 /nfs/dbraw/zinc/51/73/26/697517326.db2.gz YUNALACTFUJPQD-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CCC2)CC1 ZINC000985477030 697517327 /nfs/dbraw/zinc/51/73/27/697517327.db2.gz YUNALACTFUJPQD-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC2CCC2)CC1 ZINC000985477030 697517328 /nfs/dbraw/zinc/51/73/28/697517328.db2.gz YUNALACTFUJPQD-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000304757779 698624495 /nfs/dbraw/zinc/62/44/95/698624495.db2.gz PGUKZAFMVGHPPU-CQSZACIVSA-N 2 1 320.437 1.450 20 30 DDEDMP CCOCCC1(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)CCC1 ZINC000305075039 698631389 /nfs/dbraw/zinc/63/13/89/698631389.db2.gz NHBFDTOZBWYUCF-OAHLLOKOSA-N 2 1 310.486 1.972 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC=C(C)C)CC2)CC1 ZINC000989734980 698745219 /nfs/dbraw/zinc/74/52/19/698745219.db2.gz MSYGPZNZYHJCKI-UHFFFAOYSA-N 2 1 317.477 1.832 20 30 DDEDMP C=CCCCCC[N@@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000739887613 699782294 /nfs/dbraw/zinc/78/22/94/699782294.db2.gz VNRRVSXPTPMIRN-UHFFFAOYSA-N 2 1 322.453 1.638 20 30 DDEDMP C=CCCCCC[N@H+](C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000739887613 699782296 /nfs/dbraw/zinc/78/22/96/699782296.db2.gz VNRRVSXPTPMIRN-UHFFFAOYSA-N 2 1 322.453 1.638 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000764587287 700977703 /nfs/dbraw/zinc/97/77/03/700977703.db2.gz PUQRXYWGJSJVAI-UHFFFAOYSA-N 2 1 304.394 1.243 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C#N)c(F)c1 ZINC000849037984 703613764 /nfs/dbraw/zinc/61/37/64/703613764.db2.gz DTZQYCPXRRWGNP-AWEZNQCLSA-N 2 1 303.385 1.796 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875623559 705452619 /nfs/dbraw/zinc/45/26/19/705452619.db2.gz STIKIHWEFLRPFV-UHFFFAOYSA-N 2 1 320.481 1.459 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000890368901 709841613 /nfs/dbraw/zinc/84/16/13/709841613.db2.gz NZKVKZPKMGDSFK-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000890368901 709841616 /nfs/dbraw/zinc/84/16/16/709841616.db2.gz NZKVKZPKMGDSFK-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000890377519 709847258 /nfs/dbraw/zinc/84/72/58/709847258.db2.gz MYUNEWLUUXKYDE-MRXNPFEDSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000890377519 709847262 /nfs/dbraw/zinc/84/72/62/709847262.db2.gz MYUNEWLUUXKYDE-MRXNPFEDSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903177319 711056267 /nfs/dbraw/zinc/05/62/67/711056267.db2.gz KPZUMCAYHOZXAC-CQSZACIVSA-N 2 1 309.454 1.977 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903177319 711056269 /nfs/dbraw/zinc/05/62/69/711056269.db2.gz KPZUMCAYHOZXAC-CQSZACIVSA-N 2 1 309.454 1.977 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccc(OC)cc2)C1 ZINC000913481226 713234251 /nfs/dbraw/zinc/23/42/51/713234251.db2.gz UGPKXUAMRSSSRJ-QGZVFWFLSA-N 2 1 317.433 1.676 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000908321267 712741200 /nfs/dbraw/zinc/74/12/00/712741200.db2.gz ZPNBKVGOOHXGBH-QGZVFWFLSA-N 2 1 317.433 1.700 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000921427180 713767213 /nfs/dbraw/zinc/76/72/13/713767213.db2.gz ZMZYOQSBOFDAHD-INIZCTEOSA-N 2 1 320.481 1.361 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000923373952 714332566 /nfs/dbraw/zinc/33/25/66/714332566.db2.gz QSUYEYFMINJNOC-FUHWJXTLSA-N 2 1 317.433 1.795 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000923560682 714404181 /nfs/dbraw/zinc/40/41/81/714404181.db2.gz FAXGEZPIJLGQEK-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000923560682 714404183 /nfs/dbraw/zinc/40/41/83/714404183.db2.gz FAXGEZPIJLGQEK-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C[C@@H]1C[NH2+]C[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000925787627 714935063 /nfs/dbraw/zinc/93/50/63/714935063.db2.gz YTLPRJLDEPASHR-QAPCUYQASA-N 2 1 312.461 1.968 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961766696 717200097 /nfs/dbraw/zinc/20/00/97/717200097.db2.gz UOVLUHVQQJHOKV-LDDOYCOJSA-N 2 1 323.456 1.821 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961766696 717200101 /nfs/dbraw/zinc/20/01/01/717200101.db2.gz UOVLUHVQQJHOKV-LDDOYCOJSA-N 2 1 323.456 1.821 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961766696 717200107 /nfs/dbraw/zinc/20/01/07/717200107.db2.gz UOVLUHVQQJHOKV-LDDOYCOJSA-N 2 1 323.456 1.821 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942101612 717480457 /nfs/dbraw/zinc/48/04/57/717480457.db2.gz RNSCGILZHQQHGY-ZFWWWQNUSA-N 2 1 319.474 1.883 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963412543 717780807 /nfs/dbraw/zinc/78/08/07/717780807.db2.gz BWMAIGVJDCWFSZ-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943513835 718134163 /nfs/dbraw/zinc/13/41/63/718134163.db2.gz ANVJKIDOCOKDDN-ZBFHGGJFSA-N 2 1 319.453 1.071 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)[C@H](C)C1 ZINC000944167974 718264901 /nfs/dbraw/zinc/26/49/01/718264901.db2.gz HFLZBSQAFBEZII-UKRRQHHQSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167974 718264904 /nfs/dbraw/zinc/26/49/04/718264904.db2.gz HFLZBSQAFBEZII-UKRRQHHQSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944167974 718264906 /nfs/dbraw/zinc/26/49/06/718264906.db2.gz HFLZBSQAFBEZII-UKRRQHHQSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966903345 718702943 /nfs/dbraw/zinc/70/29/43/718702943.db2.gz FIQIWKJDFIQEEF-HOTGVXAUSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967401577 718871513 /nfs/dbraw/zinc/87/15/13/718871513.db2.gz DPYUPJBTIIQHFV-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967401577 718871516 /nfs/dbraw/zinc/87/15/16/718871516.db2.gz DPYUPJBTIIQHFV-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765280 718901569 /nfs/dbraw/zinc/90/15/69/718901569.db2.gz KYKJZOZAFIZGTI-IXDOHACOSA-N 2 1 307.482 1.929 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947437284 719163220 /nfs/dbraw/zinc/16/32/20/719163220.db2.gz QHLYAPCJZFLRIU-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947654113 719237562 /nfs/dbraw/zinc/23/75/62/719237562.db2.gz YYERTDNLCWINGX-HOCLYGCPSA-N 2 1 317.433 1.947 20 30 DDEDMP Cc1ccc(C#N)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164686282 719609535 /nfs/dbraw/zinc/60/95/35/719609535.db2.gz ZWXTXBZAZCGFEX-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP Cc1ccc(C#N)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164686282 719609545 /nfs/dbraw/zinc/60/95/45/719609545.db2.gz ZWXTXBZAZCGFEX-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968907677 719859876 /nfs/dbraw/zinc/85/98/76/719859876.db2.gz XEERJLNNHOLBSI-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968907677 719859882 /nfs/dbraw/zinc/85/98/82/719859882.db2.gz XEERJLNNHOLBSI-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968907677 719859884 /nfs/dbraw/zinc/85/98/84/719859884.db2.gz XEERJLNNHOLBSI-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968907677 719859889 /nfs/dbraw/zinc/85/98/89/719859889.db2.gz XEERJLNNHOLBSI-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934259 719884613 /nfs/dbraw/zinc/88/46/13/719884613.db2.gz RAGQALASMBWTSQ-QGZVFWFLSA-N 2 1 317.477 1.999 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156419 719981366 /nfs/dbraw/zinc/98/13/66/719981366.db2.gz SEPCMKFQJRMNSX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156419 719981367 /nfs/dbraw/zinc/98/13/67/719981367.db2.gz SEPCMKFQJRMNSX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156419 719981368 /nfs/dbraw/zinc/98/13/68/719981368.db2.gz SEPCMKFQJRMNSX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000949526294 720140011 /nfs/dbraw/zinc/14/00/11/720140011.db2.gz NBFCJWBQRBADSE-UHFFFAOYSA-N 2 1 321.465 1.352 20 30 DDEDMP C=CCN1CC([C@@H](C)NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000969719245 720263350 /nfs/dbraw/zinc/26/33/50/720263350.db2.gz ZJTNNWHDFQMUMR-WBMJQRKESA-N 2 1 317.437 1.413 20 30 DDEDMP Cc1[nH+]c(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)ccc1CC#N ZINC001164733487 720526652 /nfs/dbraw/zinc/52/66/52/720526652.db2.gz KNDUULJTRITCFL-OAHLLOKOSA-N 2 1 324.432 1.851 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104290504 733286364 /nfs/dbraw/zinc/28/63/64/733286364.db2.gz AVRFMGGOXUYPNM-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167437517 733500923 /nfs/dbraw/zinc/50/09/23/733500923.db2.gz ATRLEGHLJROOFK-HOTGVXAUSA-N 2 1 303.450 1.513 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001039382288 733649275 /nfs/dbraw/zinc/64/92/75/733649275.db2.gz LEVSDFRFAUEAED-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001039382288 733649277 /nfs/dbraw/zinc/64/92/77/733649277.db2.gz LEVSDFRFAUEAED-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039382288 733649281 /nfs/dbraw/zinc/64/92/81/733649281.db2.gz LEVSDFRFAUEAED-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001039382288 733649282 /nfs/dbraw/zinc/64/92/82/733649282.db2.gz LEVSDFRFAUEAED-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001023365072 735201719 /nfs/dbraw/zinc/20/17/19/735201719.db2.gz WISCWCMNQVVROQ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365072 735201724 /nfs/dbraw/zinc/20/17/24/735201724.db2.gz WISCWCMNQVVROQ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001023422744 735226166 /nfs/dbraw/zinc/22/61/66/735226166.db2.gz QOPWLYAATUPRCD-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001023422744 735226169 /nfs/dbraw/zinc/22/61/69/735226169.db2.gz QOPWLYAATUPRCD-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023422744 735226173 /nfs/dbraw/zinc/22/61/73/735226173.db2.gz QOPWLYAATUPRCD-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC=C(C)C)C1 ZINC001023422744 735226176 /nfs/dbraw/zinc/22/61/76/735226176.db2.gz QOPWLYAATUPRCD-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001027976447 738895802 /nfs/dbraw/zinc/89/58/02/738895802.db2.gz AOTNUKGRPJNPIU-HUUCEWRRSA-N 2 1 302.422 1.602 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024476981 735854621 /nfs/dbraw/zinc/85/46/21/735854621.db2.gz IHBHWIDSXSEJJK-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001024476981 735854623 /nfs/dbraw/zinc/85/46/23/735854623.db2.gz IHBHWIDSXSEJJK-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCF ZINC001024486720 735864427 /nfs/dbraw/zinc/86/44/27/735864427.db2.gz HBFDPHLDQSFXHJ-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001025227856 736378295 /nfs/dbraw/zinc/37/82/95/736378295.db2.gz SWQYAPODEBYGBE-HOTGVXAUSA-N 2 1 314.433 1.821 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253030 736394493 /nfs/dbraw/zinc/39/44/93/736394493.db2.gz SBMUZVPOSGAKBZ-SJORKVTESA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001025253030 736394502 /nfs/dbraw/zinc/39/45/02/736394502.db2.gz SBMUZVPOSGAKBZ-SJORKVTESA-N 2 1 314.433 1.670 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104680721 736512328 /nfs/dbraw/zinc/51/23/28/736512328.db2.gz VYWOTLHCQUAGEQ-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001025818356 736869571 /nfs/dbraw/zinc/86/95/71/736869571.db2.gz AEDMYYIREBGQKX-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025818356 736869572 /nfs/dbraw/zinc/86/95/72/736869572.db2.gz AEDMYYIREBGQKX-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025818356 736869573 /nfs/dbraw/zinc/86/95/73/736869573.db2.gz AEDMYYIREBGQKX-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038353852 737125899 /nfs/dbraw/zinc/12/58/99/737125899.db2.gz PSQBHGSBKUTMGD-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026509011 737626574 /nfs/dbraw/zinc/62/65/74/737626574.db2.gz VQBLMIIREXSSQH-ABHNRTSZSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC2CC2)CC1 ZINC001026509011 737626578 /nfs/dbraw/zinc/62/65/78/737626578.db2.gz VQBLMIIREXSSQH-ABHNRTSZSA-N 2 1 317.477 1.901 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444082 738297998 /nfs/dbraw/zinc/29/79/98/738297998.db2.gz QFRVPNQQOSAOIB-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444082 738298001 /nfs/dbraw/zinc/29/80/01/738298001.db2.gz QFRVPNQQOSAOIB-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027444244 738298170 /nfs/dbraw/zinc/29/81/70/738298170.db2.gz QIRYLEUDSJGOES-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027444244 738298172 /nfs/dbraw/zinc/29/81/72/738298172.db2.gz QIRYLEUDSJGOES-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027444244 738298173 /nfs/dbraw/zinc/29/81/73/738298173.db2.gz QIRYLEUDSJGOES-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001027459814 738311994 /nfs/dbraw/zinc/31/19/94/738311994.db2.gz CBVRZGRDWKBIAU-OAHLLOKOSA-N 2 1 302.422 1.483 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103861 739038252 /nfs/dbraw/zinc/03/82/52/739038252.db2.gz XKDXIUYUHBOPGA-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103861 739038258 /nfs/dbraw/zinc/03/82/58/739038258.db2.gz XKDXIUYUHBOPGA-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138454 739080584 /nfs/dbraw/zinc/08/05/84/739080584.db2.gz TUNXAHAYYNDNKJ-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138454 739080588 /nfs/dbraw/zinc/08/05/88/739080588.db2.gz TUNXAHAYYNDNKJ-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590674 739722148 /nfs/dbraw/zinc/72/21/48/739722148.db2.gz DEKARXVXDJWYHC-LSDHHAIUSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028590674 739722150 /nfs/dbraw/zinc/72/21/50/739722150.db2.gz DEKARXVXDJWYHC-LSDHHAIUSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028601096 739778715 /nfs/dbraw/zinc/77/87/15/739778715.db2.gz IDGRKKGHFXPBAM-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028601096 739778717 /nfs/dbraw/zinc/77/87/17/739778717.db2.gz IDGRKKGHFXPBAM-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001028601096 739778722 /nfs/dbraw/zinc/77/87/22/739778722.db2.gz IDGRKKGHFXPBAM-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001028601096 739778725 /nfs/dbraw/zinc/77/87/25/739778725.db2.gz IDGRKKGHFXPBAM-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001028600813 739778770 /nfs/dbraw/zinc/77/87/70/739778770.db2.gz DPTQPNMHGQGTLO-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001028600813 739778774 /nfs/dbraw/zinc/77/87/74/739778774.db2.gz DPTQPNMHGQGTLO-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001028600813 739778776 /nfs/dbraw/zinc/77/87/76/739778776.db2.gz DPTQPNMHGQGTLO-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028600813 739778780 /nfs/dbraw/zinc/77/87/80/739778780.db2.gz DPTQPNMHGQGTLO-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001028600813 739778781 /nfs/dbraw/zinc/77/87/81/739778781.db2.gz DPTQPNMHGQGTLO-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001087749836 740733159 /nfs/dbraw/zinc/73/31/59/740733159.db2.gz BZIIIBFUQQMLTM-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920588 740855116 /nfs/dbraw/zinc/85/51/16/740855116.db2.gz UTJUYQMXNZMMIA-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920588 740855120 /nfs/dbraw/zinc/85/51/20/740855120.db2.gz UTJUYQMXNZMMIA-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920588 740855124 /nfs/dbraw/zinc/85/51/24/740855124.db2.gz UTJUYQMXNZMMIA-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920588 740855126 /nfs/dbraw/zinc/85/51/26/740855126.db2.gz UTJUYQMXNZMMIA-IKGGRYGDSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992670 740933624 /nfs/dbraw/zinc/93/36/24/740933624.db2.gz GDNZKPRUTZAUKR-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087999453 740938313 /nfs/dbraw/zinc/93/83/13/740938313.db2.gz MJMJSYQJHRZTQZ-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999453 740938314 /nfs/dbraw/zinc/93/83/14/740938314.db2.gz MJMJSYQJHRZTQZ-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087999453 740938316 /nfs/dbraw/zinc/93/83/16/740938316.db2.gz MJMJSYQJHRZTQZ-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088811985 742424473 /nfs/dbraw/zinc/42/44/73/742424473.db2.gz GNSQIRGLERRFPC-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088811985 742424476 /nfs/dbraw/zinc/42/44/76/742424476.db2.gz GNSQIRGLERRFPC-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088811985 742424478 /nfs/dbraw/zinc/42/44/78/742424478.db2.gz GNSQIRGLERRFPC-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088811985 742424482 /nfs/dbraw/zinc/42/44/82/742424482.db2.gz GNSQIRGLERRFPC-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001076243676 742622821 /nfs/dbraw/zinc/62/28/21/742622821.db2.gz CPKLXTZZWNQHMS-YQQAZPJKSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001076243676 742622824 /nfs/dbraw/zinc/62/28/24/742622824.db2.gz CPKLXTZZWNQHMS-YQQAZPJKSA-N 2 1 314.433 1.473 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035710211 751796718 /nfs/dbraw/zinc/79/67/18/751796718.db2.gz KOMXJJVTOHWLSW-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC)C2)CC1 ZINC001035724825 751816098 /nfs/dbraw/zinc/81/60/98/751816098.db2.gz VAVUHWWOHBSBNH-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCC)C2)CC1 ZINC001035724825 751816106 /nfs/dbraw/zinc/81/61/06/751816106.db2.gz VAVUHWWOHBSBNH-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182124871 743485105 /nfs/dbraw/zinc/48/51/05/743485105.db2.gz FJWZDLHULHKBHR-RHSMWYFYSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182345874 743576858 /nfs/dbraw/zinc/57/68/58/743576858.db2.gz HMUHKEQHWUTQOZ-ZIFCJYIRSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CCN1CC2(C1)CCN(C(=O)CCn1ccnc1)CC2 ZINC001035763283 751846069 /nfs/dbraw/zinc/84/60/69/751846069.db2.gz QGCVLVLPUNNAEI-UHFFFAOYSA-N 2 1 300.406 1.221 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C ZINC001183092353 743772745 /nfs/dbraw/zinc/77/27/45/743772745.db2.gz YFDXCDFKIASUSP-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089930295 751859030 /nfs/dbraw/zinc/85/90/30/751859030.db2.gz ZADVHBOGYIPBFD-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089930295 751859040 /nfs/dbraw/zinc/85/90/40/751859040.db2.gz ZADVHBOGYIPBFD-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089930295 751859048 /nfs/dbraw/zinc/85/90/48/751859048.db2.gz ZADVHBOGYIPBFD-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185120066 744164681 /nfs/dbraw/zinc/16/46/81/744164681.db2.gz ORQUABIEJYTOIE-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185669059 744271937 /nfs/dbraw/zinc/27/19/37/744271937.db2.gz NHTOHRVZVPPKIM-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035858170 751954665 /nfs/dbraw/zinc/95/46/65/751954665.db2.gz HVIOBODEFKWCES-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203731401 745390278 /nfs/dbraw/zinc/39/02/78/745390278.db2.gz OBPOMIDNZXISAZ-HUUCEWRRSA-N 2 1 300.406 1.232 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249788 745461410 /nfs/dbraw/zinc/46/14/10/745461410.db2.gz QAARTNOQSQCSPP-OAGGEKHMSA-N 2 1 314.433 1.468 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671877 745858002 /nfs/dbraw/zinc/85/80/02/745858002.db2.gz SATNZXHUMBJDBH-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671877 745858007 /nfs/dbraw/zinc/85/80/07/745858007.db2.gz SATNZXHUMBJDBH-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671877 745858012 /nfs/dbraw/zinc/85/80/12/745858012.db2.gz SATNZXHUMBJDBH-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106716024 745956833 /nfs/dbraw/zinc/95/68/33/745956833.db2.gz URWXSXXOFSSOTE-HUUCEWRRSA-N 2 1 302.422 1.324 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099270829 746094168 /nfs/dbraw/zinc/09/41/68/746094168.db2.gz MJLPAWGXCDYKBQ-UPJWGTAASA-N 2 1 319.371 1.636 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993684857 746274818 /nfs/dbraw/zinc/27/48/18/746274818.db2.gz PIXCXYLGULQMHG-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001194245491 746318775 /nfs/dbraw/zinc/31/87/75/746318775.db2.gz AYWPEANJQQBBNV-YCOJEUHLSA-N 2 1 323.868 1.617 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015696170 746418936 /nfs/dbraw/zinc/41/89/36/746418936.db2.gz WFJIFNNHOVOLOV-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015696170 746418939 /nfs/dbraw/zinc/41/89/39/746418939.db2.gz WFJIFNNHOVOLOV-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015696170 746418940 /nfs/dbraw/zinc/41/89/40/746418940.db2.gz WFJIFNNHOVOLOV-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046993448 746672578 /nfs/dbraw/zinc/67/25/78/746672578.db2.gz OAIVYLFUWBGZIJ-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993448 746672581 /nfs/dbraw/zinc/67/25/81/746672581.db2.gz OAIVYLFUWBGZIJ-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993448 746672584 /nfs/dbraw/zinc/67/25/84/746672584.db2.gz OAIVYLFUWBGZIJ-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCCC)CC1 ZINC001196191740 746787247 /nfs/dbraw/zinc/78/72/47/746787247.db2.gz LVUWKFUHMNSBMW-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196191740 746787252 /nfs/dbraw/zinc/78/72/52/746787252.db2.gz LVUWKFUHMNSBMW-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCC)CC1 ZINC001196191740 746787256 /nfs/dbraw/zinc/78/72/56/746787256.db2.gz LVUWKFUHMNSBMW-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCCC)CC1 ZINC001196191740 746787260 /nfs/dbraw/zinc/78/72/60/746787260.db2.gz LVUWKFUHMNSBMW-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC/C=C\CC)CC1 ZINC001196191404 746787671 /nfs/dbraw/zinc/78/76/71/746787671.db2.gz FPNBDQIYGFLEFL-XFHJGTJQSA-N 2 1 317.477 1.975 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196191404 746787675 /nfs/dbraw/zinc/78/76/75/746787675.db2.gz FPNBDQIYGFLEFL-XFHJGTJQSA-N 2 1 317.477 1.975 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC/C=C\CC)CC1 ZINC001196191404 746787679 /nfs/dbraw/zinc/78/76/79/746787679.db2.gz FPNBDQIYGFLEFL-XFHJGTJQSA-N 2 1 317.477 1.975 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC/C=C\CC)CC1 ZINC001196191404 746787682 /nfs/dbraw/zinc/78/76/82/746787682.db2.gz FPNBDQIYGFLEFL-XFHJGTJQSA-N 2 1 317.477 1.975 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001196655983 746925375 /nfs/dbraw/zinc/92/53/75/746925375.db2.gz MTDAJZTUQLEMJW-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001089624496 747491233 /nfs/dbraw/zinc/49/12/33/747491233.db2.gz FIHGTAKOAHZYCD-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089624496 747491235 /nfs/dbraw/zinc/49/12/35/747491235.db2.gz FIHGTAKOAHZYCD-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089624496 747491237 /nfs/dbraw/zinc/49/12/37/747491237.db2.gz FIHGTAKOAHZYCD-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089624496 747491241 /nfs/dbraw/zinc/49/12/41/747491241.db2.gz FIHGTAKOAHZYCD-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001036099491 752195959 /nfs/dbraw/zinc/19/59/59/752195959.db2.gz ZBQMQDSFCACJRZ-TZMCWYRMSA-N 2 1 306.410 1.362 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031978124 748341695 /nfs/dbraw/zinc/34/16/95/748341695.db2.gz OXDUIBOEDYUDQY-MRXNPFEDSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031993634 748376194 /nfs/dbraw/zinc/37/61/94/748376194.db2.gz QLZDAGIJTAFVML-MSOLQXFVSA-N 2 1 313.445 1.566 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004616593 748592369 /nfs/dbraw/zinc/59/23/69/748592369.db2.gz LCYCFDUIAQBBLP-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618012 748594278 /nfs/dbraw/zinc/59/42/78/748594278.db2.gz VPXGJVSZUBFRGS-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004618012 748594282 /nfs/dbraw/zinc/59/42/82/748594282.db2.gz VPXGJVSZUBFRGS-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004618012 748594286 /nfs/dbraw/zinc/59/42/86/748594286.db2.gz VPXGJVSZUBFRGS-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554474 748692453 /nfs/dbraw/zinc/69/24/53/748692453.db2.gz ZKHYIDZKBGBROY-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554474 748692457 /nfs/dbraw/zinc/69/24/57/748692457.db2.gz ZKHYIDZKBGBROY-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554474 748692460 /nfs/dbraw/zinc/69/24/60/748692460.db2.gz ZKHYIDZKBGBROY-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202163561 748701809 /nfs/dbraw/zinc/70/18/09/748701809.db2.gz GJODXNDKSAOFBB-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114425487 749193977 /nfs/dbraw/zinc/19/39/77/749193977.db2.gz DNARXZJNLNQFRK-LISAXSMJSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114425487 749193978 /nfs/dbraw/zinc/19/39/78/749193978.db2.gz DNARXZJNLNQFRK-LISAXSMJSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114425487 749193980 /nfs/dbraw/zinc/19/39/80/749193980.db2.gz DNARXZJNLNQFRK-LISAXSMJSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366947 749256105 /nfs/dbraw/zinc/25/61/05/749256105.db2.gz XQCCCKLEGQOVOO-HNNXBMFYSA-N 2 1 303.406 1.511 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001033366947 749256109 /nfs/dbraw/zinc/25/61/09/749256109.db2.gz XQCCCKLEGQOVOO-HNNXBMFYSA-N 2 1 303.406 1.511 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995927983 749292865 /nfs/dbraw/zinc/29/28/65/749292865.db2.gz ZWZBMRNNTCIBTD-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995927983 749292870 /nfs/dbraw/zinc/29/28/70/749292870.db2.gz ZWZBMRNNTCIBTD-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005391619 749961293 /nfs/dbraw/zinc/96/12/93/749961293.db2.gz SISWXJCJPGEVCX-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521017 750083152 /nfs/dbraw/zinc/08/31/52/750083152.db2.gz HIQNSWIENOQJRJ-SJLPKXTDSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128773840 750085706 /nfs/dbraw/zinc/08/57/06/750085706.db2.gz GBDCZZNLUJJUSJ-LBPRGKRZSA-N 2 1 318.259 1.475 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546715 750117277 /nfs/dbraw/zinc/11/72/77/750117277.db2.gz MQUSHQYXOILTTR-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546715 750117280 /nfs/dbraw/zinc/11/72/80/750117280.db2.gz MQUSHQYXOILTTR-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546715 750117284 /nfs/dbraw/zinc/11/72/84/750117284.db2.gz MQUSHQYXOILTTR-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCCC3)CCC[C@@H]12 ZINC001107634140 750281955 /nfs/dbraw/zinc/28/19/55/750281955.db2.gz LWTQJCPHWMSAQH-SJLPKXTDSA-N 2 1 303.450 1.466 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398971 762031267 /nfs/dbraw/zinc/03/12/67/762031267.db2.gz LIMJQSPHSGDJBP-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001005586778 750670532 /nfs/dbraw/zinc/67/05/32/750670532.db2.gz XWFTXYKKFZCTCN-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001039473811 762063549 /nfs/dbraw/zinc/06/35/49/762063549.db2.gz DNBWGJVFIWQFOR-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473811 762063557 /nfs/dbraw/zinc/06/35/57/762063557.db2.gz DNBWGJVFIWQFOR-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001039473811 762063567 /nfs/dbraw/zinc/06/35/67/762063567.db2.gz DNBWGJVFIWQFOR-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001034712400 750747605 /nfs/dbraw/zinc/74/76/05/750747605.db2.gz WIOYUKIEIXITHP-BRWVUGGUSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908328 750858321 /nfs/dbraw/zinc/85/83/21/750858321.db2.gz TTXJGJCGRQJRQL-MLHJIOFPSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C1CC1)[NH+](C)C)CC2 ZINC001035193565 751293028 /nfs/dbraw/zinc/29/30/28/751293028.db2.gz GPYIURGUJVNJPL-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007986909 752483834 /nfs/dbraw/zinc/48/38/34/752483834.db2.gz AFYFEJVXDXDCMB-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007986909 752483841 /nfs/dbraw/zinc/48/38/41/752483841.db2.gz AFYFEJVXDXDCMB-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007986909 752483848 /nfs/dbraw/zinc/48/38/48/752483848.db2.gz AFYFEJVXDXDCMB-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[N@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000875150 762288938 /nfs/dbraw/zinc/28/89/38/762288938.db2.gz LHECYLQNYBMXAF-UHFFFAOYSA-N 2 1 318.421 1.674 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000875150 762288941 /nfs/dbraw/zinc/28/89/41/762288941.db2.gz LHECYLQNYBMXAF-UHFFFAOYSA-N 2 1 318.421 1.674 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001835640 754530935 /nfs/dbraw/zinc/53/09/35/754530935.db2.gz YSWTXJLUFJRKBL-INIZCTEOSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001922818 754582002 /nfs/dbraw/zinc/58/20/02/754582002.db2.gz CBVHTLWFMCCNIM-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001079981918 755678779 /nfs/dbraw/zinc/67/87/79/755678779.db2.gz HEICJCYVQRXURU-BFYDXBDKSA-N 2 1 316.449 1.848 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015595666 756396559 /nfs/dbraw/zinc/39/65/59/756396559.db2.gz CUINANXMKCLLCO-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015595666 756396565 /nfs/dbraw/zinc/39/65/65/756396565.db2.gz CUINANXMKCLLCO-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015595666 756396573 /nfs/dbraw/zinc/39/65/73/756396573.db2.gz CUINANXMKCLLCO-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015595666 756396580 /nfs/dbraw/zinc/39/65/80/756396580.db2.gz CUINANXMKCLLCO-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694080 756416786 /nfs/dbraw/zinc/41/67/86/756416786.db2.gz IKTNUHLOYJMGBN-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694080 756416791 /nfs/dbraw/zinc/41/67/91/756416791.db2.gz IKTNUHLOYJMGBN-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](OC)C1 ZINC001081694080 756416794 /nfs/dbraw/zinc/41/67/94/756416794.db2.gz IKTNUHLOYJMGBN-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081670511 756422255 /nfs/dbraw/zinc/42/22/55/756422255.db2.gz WZJMMFKNCWAMBT-GVDBMIGSSA-N 2 1 321.465 1.110 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040292022 762478845 /nfs/dbraw/zinc/47/88/45/762478845.db2.gz JYLIPPJCNWBGBX-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040292022 762478850 /nfs/dbraw/zinc/47/88/50/762478850.db2.gz JYLIPPJCNWBGBX-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001016330163 756931641 /nfs/dbraw/zinc/93/16/41/756931641.db2.gz QMSOVLPAZHOYKC-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001086378 762539133 /nfs/dbraw/zinc/53/91/33/762539133.db2.gz LHNVJWCVVGKHMO-MRXNPFEDSA-N 2 1 314.433 1.688 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001086378 762539139 /nfs/dbraw/zinc/53/91/39/762539139.db2.gz LHNVJWCVVGKHMO-MRXNPFEDSA-N 2 1 314.433 1.688 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001084418097 757540673 /nfs/dbraw/zinc/54/06/73/757540673.db2.gz VAOTXFQTDYWRBH-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001084418097 757540676 /nfs/dbraw/zinc/54/06/76/757540676.db2.gz VAOTXFQTDYWRBH-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)C)C[C@H]21 ZINC001084418097 757540683 /nfs/dbraw/zinc/54/06/83/757540683.db2.gz VAOTXFQTDYWRBH-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC(C)C)C[C@H]21 ZINC001084418097 757540690 /nfs/dbraw/zinc/54/06/90/757540690.db2.gz VAOTXFQTDYWRBH-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598795 757692705 /nfs/dbraw/zinc/69/27/05/757692705.db2.gz GGBFCTURUPYRSY-KZNAEPCWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598795 757692706 /nfs/dbraw/zinc/69/27/06/757692706.db2.gz GGBFCTURUPYRSY-KZNAEPCWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598795 757692711 /nfs/dbraw/zinc/69/27/11/757692711.db2.gz GGBFCTURUPYRSY-KZNAEPCWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC)C3)CC1 ZINC001040543317 762587172 /nfs/dbraw/zinc/58/71/72/762587172.db2.gz OFLZRNRRHHYTON-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085100922 758239120 /nfs/dbraw/zinc/23/91/20/758239120.db2.gz KVJCALDRALJLRT-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100922 758239131 /nfs/dbraw/zinc/23/91/31/758239131.db2.gz KVJCALDRALJLRT-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100922 758239140 /nfs/dbraw/zinc/23/91/40/758239140.db2.gz KVJCALDRALJLRT-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053506663 758512136 /nfs/dbraw/zinc/51/21/36/758512136.db2.gz MCBFIQPLZCGHSF-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053506663 758512138 /nfs/dbraw/zinc/51/21/38/758512138.db2.gz MCBFIQPLZCGHSF-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001054244000 759334461 /nfs/dbraw/zinc/33/44/61/759334461.db2.gz SAFDHJSGQQXJBR-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001054244000 759334470 /nfs/dbraw/zinc/33/44/70/759334470.db2.gz SAFDHJSGQQXJBR-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001054244000 759334480 /nfs/dbraw/zinc/33/44/80/759334480.db2.gz SAFDHJSGQQXJBR-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001054244000 759334491 /nfs/dbraw/zinc/33/44/91/759334491.db2.gz SAFDHJSGQQXJBR-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108215746 760407526 /nfs/dbraw/zinc/40/75/26/760407526.db2.gz IDKPMFLZOZCSRE-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215746 760407529 /nfs/dbraw/zinc/40/75/29/760407529.db2.gz IDKPMFLZOZCSRE-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215746 760407530 /nfs/dbraw/zinc/40/75/30/760407530.db2.gz IDKPMFLZOZCSRE-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@H](C)CC)CC1 ZINC001085986847 760656650 /nfs/dbraw/zinc/65/66/50/760656650.db2.gz OFRMKTPZTPIAQJ-AEFFLSMTSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](C)CC)CC1 ZINC001039042326 761683429 /nfs/dbraw/zinc/68/34/29/761683429.db2.gz PXVYJZZJVFGOJX-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095547 763127934 /nfs/dbraw/zinc/12/79/34/763127934.db2.gz TWYCFMVDQOYKJV-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001050095547 763127939 /nfs/dbraw/zinc/12/79/39/763127939.db2.gz TWYCFMVDQOYKJV-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169992037 763554486 /nfs/dbraw/zinc/55/44/86/763554486.db2.gz UKPIAHVEKQQBKC-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169992037 763554494 /nfs/dbraw/zinc/55/44/94/763554494.db2.gz UKPIAHVEKQQBKC-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094788 763643238 /nfs/dbraw/zinc/64/32/38/763643238.db2.gz XFXADGOHUMNZBO-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042114315 763667196 /nfs/dbraw/zinc/66/71/96/763667196.db2.gz JORYBXPRVWWZSK-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042367671 763970475 /nfs/dbraw/zinc/97/04/75/763970475.db2.gz JWKDTUOGKJDNOA-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050920556 764282436 /nfs/dbraw/zinc/28/24/36/764282436.db2.gz IIMPOUDLIOHOEY-DLBZAZTESA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050920556 764282442 /nfs/dbraw/zinc/28/24/42/764282442.db2.gz IIMPOUDLIOHOEY-DLBZAZTESA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090436891 764385804 /nfs/dbraw/zinc/38/58/04/764385804.db2.gz WOZHIRPAJQOGLH-JKSUJKDBSA-N 2 1 314.389 1.075 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001112854894 764881829 /nfs/dbraw/zinc/88/18/29/764881829.db2.gz BOQMLEMYRZLDRQ-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001112855397 764882952 /nfs/dbraw/zinc/88/29/52/764882952.db2.gz UXAYMVBCPNFADL-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001112855397 764882961 /nfs/dbraw/zinc/88/29/61/764882961.db2.gz UXAYMVBCPNFADL-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H](C)O2 ZINC001131669301 768251299 /nfs/dbraw/zinc/25/12/99/768251299.db2.gz KYCHDHNMCXFHCT-MAUKXSAKSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H](C)O2 ZINC001131669301 768251304 /nfs/dbraw/zinc/25/13/04/768251304.db2.gz KYCHDHNMCXFHCT-MAUKXSAKSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H](C)O2 ZINC001131669301 768251309 /nfs/dbraw/zinc/25/13/09/768251309.db2.gz KYCHDHNMCXFHCT-MAUKXSAKSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007537 765130337 /nfs/dbraw/zinc/13/03/37/765130337.db2.gz UJJMTAZPOJDKBU-ARFHVFGLSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007537 765130344 /nfs/dbraw/zinc/13/03/44/765130344.db2.gz UJJMTAZPOJDKBU-ARFHVFGLSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131692056 768275098 /nfs/dbraw/zinc/27/50/98/768275098.db2.gz CUXFXVJHVLKEFH-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001113247984 765470229 /nfs/dbraw/zinc/47/02/29/765470229.db2.gz MYFBPIMHXAJLNS-KRWDZBQOSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001113247984 765470233 /nfs/dbraw/zinc/47/02/33/765470233.db2.gz MYFBPIMHXAJLNS-KRWDZBQOSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384223 765779245 /nfs/dbraw/zinc/77/92/45/765779245.db2.gz BCGAVCZHRJZTBF-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052444858 765835457 /nfs/dbraw/zinc/83/54/57/765835457.db2.gz IIYXPOWTEUBGMX-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052444858 765835465 /nfs/dbraw/zinc/83/54/65/765835465.db2.gz IIYXPOWTEUBGMX-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052444858 765835471 /nfs/dbraw/zinc/83/54/71/765835471.db2.gz IIYXPOWTEUBGMX-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231481 768333466 /nfs/dbraw/zinc/33/34/66/768333466.db2.gz NHSJIUXPUBNBHB-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001045440142 766308068 /nfs/dbraw/zinc/30/80/68/766308068.db2.gz HOFPLFJEWDIVGA-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001129856806 767020605 /nfs/dbraw/zinc/02/06/05/767020605.db2.gz XZEQCTWVVWSMMF-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001046323551 767422247 /nfs/dbraw/zinc/42/22/47/767422247.db2.gz OCDYWRCNMZLUNK-WMZOPIPTSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130645385 767658063 /nfs/dbraw/zinc/65/80/63/767658063.db2.gz IVVSKFGNSZLKLD-UHFFFAOYSA-N 2 1 308.426 1.802 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491269 767675761 /nfs/dbraw/zinc/67/57/61/767675761.db2.gz YYYWMOQZFMVWRR-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046619957 767745490 /nfs/dbraw/zinc/74/54/90/767745490.db2.gz FMAQWULUYKKREU-RHSMWYFYSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046619957 767745493 /nfs/dbraw/zinc/74/54/93/767745493.db2.gz FMAQWULUYKKREU-RHSMWYFYSA-N 2 1 302.422 1.521 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001158568689 768730960 /nfs/dbraw/zinc/73/09/60/768730960.db2.gz QTKYCOBEFOIPHA-AOIWGVFYSA-N 2 1 311.429 1.460 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001158568689 768730963 /nfs/dbraw/zinc/73/09/63/768730963.db2.gz QTKYCOBEFOIPHA-AOIWGVFYSA-N 2 1 311.429 1.460 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133166518 769556654 /nfs/dbraw/zinc/55/66/54/769556654.db2.gz UQXBZTSTODAGJT-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC=C(C)C)C[C@@H]2C1 ZINC001048869785 770021073 /nfs/dbraw/zinc/02/10/73/770021073.db2.gz FKDHQNCYRQDJCT-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC=C(C)C)C[C@@H]2C1 ZINC001048869785 770021089 /nfs/dbraw/zinc/02/10/89/770021089.db2.gz FKDHQNCYRQDJCT-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC=C(C)C)C[C@@H]2C1 ZINC001048869785 770021102 /nfs/dbraw/zinc/02/11/02/770021102.db2.gz FKDHQNCYRQDJCT-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC=C(C)C)C[C@@H]2C1 ZINC001048869785 770021113 /nfs/dbraw/zinc/02/11/13/770021113.db2.gz FKDHQNCYRQDJCT-KSZLIROESA-N 2 1 315.461 1.440 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888791 770055696 /nfs/dbraw/zinc/05/56/96/770055696.db2.gz YPHDINRFYDYCAY-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888791 770055705 /nfs/dbraw/zinc/05/57/05/770055705.db2.gz YPHDINRFYDYCAY-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888791 770055714 /nfs/dbraw/zinc/05/57/14/770055714.db2.gz YPHDINRFYDYCAY-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012793 770251049 /nfs/dbraw/zinc/25/10/49/770251049.db2.gz JZDAYEVQIBGBPI-GASCZTMLSA-N 2 1 303.406 1.531 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2C1 ZINC001049012793 770251052 /nfs/dbraw/zinc/25/10/52/770251052.db2.gz JZDAYEVQIBGBPI-GASCZTMLSA-N 2 1 303.406 1.531 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)ncc4C3)C[C@H]2C1 ZINC001049061026 770312870 /nfs/dbraw/zinc/31/28/70/770312870.db2.gz WKADMQMFUZRKDF-OAGGEKHMSA-N 2 1 314.433 1.330 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049061026 770312881 /nfs/dbraw/zinc/31/28/81/770312881.db2.gz WKADMQMFUZRKDF-OAGGEKHMSA-N 2 1 314.433 1.330 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)C[C@H]2C1 ZINC001049061026 770312890 /nfs/dbraw/zinc/31/28/90/770312890.db2.gz WKADMQMFUZRKDF-OAGGEKHMSA-N 2 1 314.433 1.330 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049090430 770354150 /nfs/dbraw/zinc/35/41/50/770354150.db2.gz LBKLSEGHPASSPH-GASCZTMLSA-N 2 1 302.422 1.583 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049090430 770354163 /nfs/dbraw/zinc/35/41/63/770354163.db2.gz LBKLSEGHPASSPH-GASCZTMLSA-N 2 1 302.422 1.583 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170762 770494838 /nfs/dbraw/zinc/49/48/38/770494838.db2.gz DLAVXPUXOAZWCA-ZJPYXAASSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049519804 770968423 /nfs/dbraw/zinc/96/84/23/770968423.db2.gz BFHRGJXPBLEJPT-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134611809 771078346 /nfs/dbraw/zinc/07/83/46/771078346.db2.gz CENVDQWJEGJCBK-LSDHHAIUSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899988 771244133 /nfs/dbraw/zinc/24/41/33/771244133.db2.gz HYPJICAMKOIPRD-HZPDHXFCSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899988 771244135 /nfs/dbraw/zinc/24/41/35/771244135.db2.gz HYPJICAMKOIPRD-HZPDHXFCSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049904770 771248755 /nfs/dbraw/zinc/24/87/55/771248755.db2.gz RIPDGQVJUXHQHT-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049904770 771248757 /nfs/dbraw/zinc/24/87/57/771248757.db2.gz RIPDGQVJUXHQHT-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904770 771248759 /nfs/dbraw/zinc/24/87/59/771248759.db2.gz RIPDGQVJUXHQHT-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904770 771248761 /nfs/dbraw/zinc/24/87/61/771248761.db2.gz RIPDGQVJUXHQHT-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC)CC1 ZINC001096605097 771284595 /nfs/dbraw/zinc/28/45/95/771284595.db2.gz AJKSAIVGFSEMJP-SQNIBIBYSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135892614 771770827 /nfs/dbraw/zinc/77/08/27/771770827.db2.gz RGAOBKKCXCSYPB-CQSZACIVSA-N 2 1 313.405 1.941 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171255004 772736087 /nfs/dbraw/zinc/73/60/87/772736087.db2.gz XRIUSHZIHBVLHZ-INIZCTEOSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627533 773237509 /nfs/dbraw/zinc/23/75/09/773237509.db2.gz YSLCWWHPNHBKOX-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627533 773237514 /nfs/dbraw/zinc/23/75/14/773237514.db2.gz YSLCWWHPNHBKOX-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627533 773237519 /nfs/dbraw/zinc/23/75/19/773237519.db2.gz YSLCWWHPNHBKOX-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956770 773744285 /nfs/dbraw/zinc/74/42/85/773744285.db2.gz XDJDMRJEDZOIFX-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975195 773909906 /nfs/dbraw/zinc/90/99/06/773909906.db2.gz JYBJQPKSVRORDB-AEFFLSMTSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092072435 773936815 /nfs/dbraw/zinc/93/68/15/773936815.db2.gz UXMCFNXRNWFKDA-MJGOQNOKSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753339 774250691 /nfs/dbraw/zinc/25/06/91/774250691.db2.gz HRAXHUWQPBROFO-CHWSQXEVSA-N 2 1 306.410 1.220 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753339 774250695 /nfs/dbraw/zinc/25/06/95/774250695.db2.gz HRAXHUWQPBROFO-CHWSQXEVSA-N 2 1 306.410 1.220 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036760911 774510692 /nfs/dbraw/zinc/51/06/92/774510692.db2.gz KWBILAZINZBBRF-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098834696 774689696 /nfs/dbraw/zinc/68/96/96/774689696.db2.gz AUXATRUNTRJXCP-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098834696 774689699 /nfs/dbraw/zinc/68/96/99/774689699.db2.gz AUXATRUNTRJXCP-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098834696 774689702 /nfs/dbraw/zinc/68/97/02/774689702.db2.gz AUXATRUNTRJXCP-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820630 774725289 /nfs/dbraw/zinc/72/52/89/774725289.db2.gz MDRNHFDTKVEAPN-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820630 774725291 /nfs/dbraw/zinc/72/52/91/774725291.db2.gz MDRNHFDTKVEAPN-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820630 774725293 /nfs/dbraw/zinc/72/52/93/774725293.db2.gz MDRNHFDTKVEAPN-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036835464 774809868 /nfs/dbraw/zinc/80/98/68/774809868.db2.gz ASCOUNWCRBRWCB-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107146 774838443 /nfs/dbraw/zinc/83/84/43/774838443.db2.gz VXIRQGFZNLPUIT-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099309834 774941178 /nfs/dbraw/zinc/94/11/78/774941178.db2.gz FZFFLGDRPVBVAX-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099309834 774941182 /nfs/dbraw/zinc/94/11/82/774941182.db2.gz FZFFLGDRPVBVAX-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001099309834 774941185 /nfs/dbraw/zinc/94/11/85/774941185.db2.gz FZFFLGDRPVBVAX-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013855 775569860 /nfs/dbraw/zinc/56/98/60/775569860.db2.gz UAXQGUVCNSXMBW-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013855 775569866 /nfs/dbraw/zinc/56/98/66/775569866.db2.gz UAXQGUVCNSXMBW-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013855 775569873 /nfs/dbraw/zinc/56/98/73/775569873.db2.gz UAXQGUVCNSXMBW-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094579718 776055693 /nfs/dbraw/zinc/05/56/93/776055693.db2.gz ZKJLFLRNOSFSMS-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094579718 776055697 /nfs/dbraw/zinc/05/56/97/776055697.db2.gz ZKJLFLRNOSFSMS-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094579718 776055698 /nfs/dbraw/zinc/05/56/98/776055698.db2.gz ZKJLFLRNOSFSMS-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171538508 776317377 /nfs/dbraw/zinc/31/73/77/776317377.db2.gz NHJJPKOJZPXJIA-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001171725546 776424014 /nfs/dbraw/zinc/42/40/14/776424014.db2.gz OXZNLPZUQFIGEJ-UHFFFAOYSA-N 2 1 316.449 1.886 20 30 DDEDMP C[C@@H](CCCC#N)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1 ZINC001172500078 776804829 /nfs/dbraw/zinc/80/48/29/776804829.db2.gz WJNYTQNLFSCBBI-YVSFHVDLSA-N 2 1 316.453 1.755 20 30 DDEDMP C[C@@H](CCCC#N)[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C)C1 ZINC001172500078 776804839 /nfs/dbraw/zinc/80/48/39/776804839.db2.gz WJNYTQNLFSCBBI-YVSFHVDLSA-N 2 1 316.453 1.755 20 30 DDEDMP C[C@@H](C[NH3+])C[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982271 776951689 /nfs/dbraw/zinc/95/16/89/776951689.db2.gz VUVCKNFMAUGOHK-IHRRRGAJSA-N 2 1 310.442 1.805 20 30 DDEDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982271 776951692 /nfs/dbraw/zinc/95/16/92/776951692.db2.gz VUVCKNFMAUGOHK-IHRRRGAJSA-N 2 1 310.442 1.805 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101589688 777281441 /nfs/dbraw/zinc/28/14/41/777281441.db2.gz ZHOKWGXOOFQKLZ-INIZCTEOSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150297163 777375050 /nfs/dbraw/zinc/37/50/50/777375050.db2.gz ALRDREZCJCPZFP-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185659 777917385 /nfs/dbraw/zinc/91/73/85/777917385.db2.gz NETQCTBTXKLQOG-DJIMGWMZSA-N 2 1 303.450 1.178 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601431 778232591 /nfs/dbraw/zinc/23/25/91/778232591.db2.gz CQNYVZXIYGWDJL-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103006427 778552470 /nfs/dbraw/zinc/55/24/70/778552470.db2.gz PIMWMSPUEBDLBI-ZJPYXAASSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103006427 778552477 /nfs/dbraw/zinc/55/24/77/778552477.db2.gz PIMWMSPUEBDLBI-ZJPYXAASSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103006427 778552480 /nfs/dbraw/zinc/55/24/80/778552480.db2.gz PIMWMSPUEBDLBI-ZJPYXAASSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060228 778609382 /nfs/dbraw/zinc/60/93/82/778609382.db2.gz BGYPSCPEQLYXRM-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060228 778609385 /nfs/dbraw/zinc/60/93/85/778609385.db2.gz BGYPSCPEQLYXRM-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060228 778609387 /nfs/dbraw/zinc/60/93/87/778609387.db2.gz BGYPSCPEQLYXRM-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374230 778828161 /nfs/dbraw/zinc/82/81/61/778828161.db2.gz ANZHKVWBABDBKM-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643895 778977157 /nfs/dbraw/zinc/97/71/57/778977157.db2.gz VVXMZQXRXPABJF-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103643895 778977164 /nfs/dbraw/zinc/97/71/64/778977164.db2.gz VVXMZQXRXPABJF-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103643895 778977169 /nfs/dbraw/zinc/97/71/69/778977169.db2.gz VVXMZQXRXPABJF-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740401 779024457 /nfs/dbraw/zinc/02/44/57/779024457.db2.gz GJGPWAMGSJSEOJ-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740401 779024465 /nfs/dbraw/zinc/02/44/65/779024465.db2.gz GJGPWAMGSJSEOJ-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740401 779024473 /nfs/dbraw/zinc/02/44/73/779024473.db2.gz GJGPWAMGSJSEOJ-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740401 779024482 /nfs/dbraw/zinc/02/44/82/779024482.db2.gz GJGPWAMGSJSEOJ-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450983 780143544 /nfs/dbraw/zinc/14/35/44/780143544.db2.gz WLSLRKDBTAEQCW-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267316911 837812265 /nfs/dbraw/zinc/81/22/65/837812265.db2.gz HPWSSAIVGHWWMT-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267316911 837812275 /nfs/dbraw/zinc/81/22/75/837812275.db2.gz HPWSSAIVGHWWMT-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267320783 837821511 /nfs/dbraw/zinc/82/15/11/837821511.db2.gz VXBAEMRPPYSDNX-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001271778098 844104555 /nfs/dbraw/zinc/10/45/55/844104555.db2.gz CUPNSOPIXULDJQ-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001271778098 844104557 /nfs/dbraw/zinc/10/45/57/844104557.db2.gz CUPNSOPIXULDJQ-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001271778098 844104564 /nfs/dbraw/zinc/10/45/64/844104564.db2.gz CUPNSOPIXULDJQ-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266452744 836276479 /nfs/dbraw/zinc/27/64/79/836276479.db2.gz QLSWVSALEPDIAS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266452744 836276486 /nfs/dbraw/zinc/27/64/86/836276486.db2.gz QLSWVSALEPDIAS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266452744 836276495 /nfs/dbraw/zinc/27/64/95/836276495.db2.gz QLSWVSALEPDIAS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266452744 836276503 /nfs/dbraw/zinc/27/65/03/836276503.db2.gz QLSWVSALEPDIAS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001266805071 836861065 /nfs/dbraw/zinc/86/10/65/836861065.db2.gz UPVIAQIQLPIEEI-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266965910 837124694 /nfs/dbraw/zinc/12/46/94/837124694.db2.gz XUZZULWHUCPIBE-DZGCQCFKSA-N 2 1 304.438 1.814 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267111172 837368945 /nfs/dbraw/zinc/36/89/45/837368945.db2.gz GUUGWZUPKUYBMH-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267111172 837368955 /nfs/dbraw/zinc/36/89/55/837368955.db2.gz GUUGWZUPKUYBMH-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001267357965 837902998 /nfs/dbraw/zinc/90/29/98/837902998.db2.gz VDUOBTHOKYHELO-IRXDYDNUSA-N 2 1 317.433 1.340 20 30 DDEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001267357965 837903001 /nfs/dbraw/zinc/90/30/01/837903001.db2.gz VDUOBTHOKYHELO-IRXDYDNUSA-N 2 1 317.433 1.340 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267558004 838303044 /nfs/dbraw/zinc/30/30/44/838303044.db2.gz QHAUBVOIGLWHPR-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267558004 838303046 /nfs/dbraw/zinc/30/30/46/838303046.db2.gz QHAUBVOIGLWHPR-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267558004 838303051 /nfs/dbraw/zinc/30/30/51/838303051.db2.gz QHAUBVOIGLWHPR-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001267596882 838394996 /nfs/dbraw/zinc/39/49/96/838394996.db2.gz RBALCNMCMZAZHW-QGZVFWFLSA-N 2 1 313.445 1.775 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267788825 838983081 /nfs/dbraw/zinc/98/30/81/838983081.db2.gz BXIWQFLVUQITFM-MRXNPFEDSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267788825 838983086 /nfs/dbraw/zinc/98/30/86/838983086.db2.gz BXIWQFLVUQITFM-MRXNPFEDSA-N 2 1 320.437 1.317 20 30 DDEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001267857216 839085776 /nfs/dbraw/zinc/08/57/76/839085776.db2.gz WKDIFOLGVAEQRO-FUHWJXTLSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268083915 839664177 /nfs/dbraw/zinc/66/41/77/839664177.db2.gz CTLVHUBPPMARCY-DZGCQCFKSA-N 2 1 304.438 1.767 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001268138043 839740278 /nfs/dbraw/zinc/74/02/78/839740278.db2.gz OYQWYPXXQNTRDS-DOTOQJQBSA-N 2 1 316.449 1.822 20 30 DDEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253080 839899290 /nfs/dbraw/zinc/89/92/90/839899290.db2.gz KKTQUJKRZRAHPR-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253080 839899299 /nfs/dbraw/zinc/89/92/99/839899299.db2.gz KKTQUJKRZRAHPR-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268253080 839899306 /nfs/dbraw/zinc/89/93/06/839899306.db2.gz KKTQUJKRZRAHPR-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268253080 839899308 /nfs/dbraw/zinc/89/93/08/839899308.db2.gz KKTQUJKRZRAHPR-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558508 841764552 /nfs/dbraw/zinc/76/45/52/841764552.db2.gz YYDOTVBTJVVOSZ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001270158122 842341104 /nfs/dbraw/zinc/34/11/04/842341104.db2.gz QKUJOGMYGUWKIJ-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001270517439 842636974 /nfs/dbraw/zinc/63/69/74/842636974.db2.gz PWKHWBKGFIPDCA-UKRRQHHQSA-N 2 1 304.438 1.672 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1conc1C ZINC001270995185 843120325 /nfs/dbraw/zinc/12/03/25/843120325.db2.gz IFTVJXUEMWKNIN-BBRMVZONSA-N 2 1 318.421 1.017 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1conc1C ZINC001270995185 843120327 /nfs/dbraw/zinc/12/03/27/843120327.db2.gz IFTVJXUEMWKNIN-BBRMVZONSA-N 2 1 318.421 1.017 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844559 861506070 /nfs/dbraw/zinc/50/60/70/861506070.db2.gz NIFYDRSIXWHVJF-BBWFWOEESA-N 2 1 323.481 1.193 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001154844559 861506079 /nfs/dbraw/zinc/50/60/79/861506079.db2.gz NIFYDRSIXWHVJF-BBWFWOEESA-N 2 1 323.481 1.193 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001154844559 861506086 /nfs/dbraw/zinc/50/60/86/861506086.db2.gz NIFYDRSIXWHVJF-BBWFWOEESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672212 846562851 /nfs/dbraw/zinc/56/28/51/846562851.db2.gz GFOIFGCKVHCIID-GOSISDBHSA-N 2 1 308.385 1.621 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@@H+](Cc3c[nH]c4cc[nH+]cc34)C2)C1=O ZINC001272672212 846562857 /nfs/dbraw/zinc/56/28/57/846562857.db2.gz GFOIFGCKVHCIID-GOSISDBHSA-N 2 1 308.385 1.621 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808054 847459025 /nfs/dbraw/zinc/45/90/25/847459025.db2.gz KGYDZISPZGTKAS-QGZVFWFLSA-N 2 1 314.389 1.021 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808054 847459028 /nfs/dbraw/zinc/45/90/28/847459028.db2.gz KGYDZISPZGTKAS-QGZVFWFLSA-N 2 1 314.389 1.021 20 30 DDEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001273084717 847886902 /nfs/dbraw/zinc/88/69/02/847886902.db2.gz XWMZBUWVUGQXGE-INIZCTEOSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001149733484 861858749 /nfs/dbraw/zinc/85/87/49/861858749.db2.gz GMBAMVHLXCZPEN-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733484 861858764 /nfs/dbraw/zinc/85/87/64/861858764.db2.gz GMBAMVHLXCZPEN-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001149733484 861858788 /nfs/dbraw/zinc/85/87/88/861858788.db2.gz GMBAMVHLXCZPEN-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001005517570 848058358 /nfs/dbraw/zinc/05/83/58/848058358.db2.gz CXVBPPXGOUSNDA-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC2CC2)CC1 ZINC001005517570 848058360 /nfs/dbraw/zinc/05/83/60/848058360.db2.gz CXVBPPXGOUSNDA-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290027 848263102 /nfs/dbraw/zinc/26/31/02/848263102.db2.gz DDOOFMRCEFDSQP-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319669 848325351 /nfs/dbraw/zinc/32/53/51/848325351.db2.gz KAVGODQCXSBHOZ-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319669 848325358 /nfs/dbraw/zinc/32/53/58/848325358.db2.gz KAVGODQCXSBHOZ-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319669 848325369 /nfs/dbraw/zinc/32/53/69/848325369.db2.gz KAVGODQCXSBHOZ-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCCN(C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145186 848572254 /nfs/dbraw/zinc/57/22/54/848572254.db2.gz VIASUNJRUGCOHL-YJBOKZPZSA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273145186 848572265 /nfs/dbraw/zinc/57/22/65/848572265.db2.gz VIASUNJRUGCOHL-YJBOKZPZSA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145186 848572272 /nfs/dbraw/zinc/57/22/72/848572272.db2.gz VIASUNJRUGCOHL-YJBOKZPZSA-N 2 1 319.449 1.355 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCO1 ZINC001273267685 849273774 /nfs/dbraw/zinc/27/37/74/849273774.db2.gz IMFRXLKXMPZQJK-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001327349941 862091548 /nfs/dbraw/zinc/09/15/48/862091548.db2.gz MQLVWZUMIKVKEA-CVEARBPZSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CO2 ZINC001273723571 851275578 /nfs/dbraw/zinc/27/55/78/851275578.db2.gz MHJGHZSBWTXXMP-GJZGRUSLSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001273840763 851409491 /nfs/dbraw/zinc/40/94/91/851409491.db2.gz NERULSSTNVOMMH-FUHWJXTLSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001274229508 852074918 /nfs/dbraw/zinc/07/49/18/852074918.db2.gz OGMCSGPOEMLZNT-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150588962 862335067 /nfs/dbraw/zinc/33/50/67/862335067.db2.gz RKSRRJJOAFJKCK-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588962 862335083 /nfs/dbraw/zinc/33/50/83/862335083.db2.gz RKSRRJJOAFJKCK-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588962 862335101 /nfs/dbraw/zinc/33/51/01/862335101.db2.gz RKSRRJJOAFJKCK-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001274437887 852267212 /nfs/dbraw/zinc/26/72/12/852267212.db2.gz YJPXSIXYDZFKGB-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001274447614 852280194 /nfs/dbraw/zinc/28/01/94/852280194.db2.gz YEBNRLMDVIKGHB-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150620346 862361158 /nfs/dbraw/zinc/36/11/58/862361158.db2.gz OBJUASMWDXMSMX-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620346 862361176 /nfs/dbraw/zinc/36/11/76/862361176.db2.gz OBJUASMWDXMSMX-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150620346 862361195 /nfs/dbraw/zinc/36/11/95/862361195.db2.gz OBJUASMWDXMSMX-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275779676 853732715 /nfs/dbraw/zinc/73/27/15/853732715.db2.gz GBZIFVYHWHGFAI-CVEARBPZSA-N 2 1 302.422 1.479 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001098506211 855329201 /nfs/dbraw/zinc/32/92/01/855329201.db2.gz OAPLQUXPDGANIV-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(=C)C)C2 ZINC001072822382 857758458 /nfs/dbraw/zinc/75/84/58/857758458.db2.gz DVWDKPIKIBEUQD-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(=C)C)C2 ZINC001072822382 857758469 /nfs/dbraw/zinc/75/84/69/857758469.db2.gz DVWDKPIKIBEUQD-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(=C)C)C2 ZINC001072822382 857758480 /nfs/dbraw/zinc/75/84/80/857758480.db2.gz DVWDKPIKIBEUQD-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(=C)C)C2 ZINC001072822382 857758491 /nfs/dbraw/zinc/75/84/91/857758491.db2.gz DVWDKPIKIBEUQD-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)C1 ZINC001073049039 858044086 /nfs/dbraw/zinc/04/40/86/858044086.db2.gz SQVSWZDFTQFUMX-CQSZACIVSA-N 2 1 302.422 1.699 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073049039 858044091 /nfs/dbraw/zinc/04/40/91/858044091.db2.gz SQVSWZDFTQFUMX-CQSZACIVSA-N 2 1 302.422 1.699 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)Cc3cnc[nH]3)C2)C1 ZINC001073049039 858044098 /nfs/dbraw/zinc/04/40/98/858044098.db2.gz SQVSWZDFTQFUMX-CQSZACIVSA-N 2 1 302.422 1.699 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3cccc(C[NH+](C)C)c3)C2)C1 ZINC001073452626 858347584 /nfs/dbraw/zinc/34/75/84/858347584.db2.gz LVTIXLDYMZQLNN-UHFFFAOYSA-N 2 1 311.429 1.529 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073461314 858357894 /nfs/dbraw/zinc/35/78/94/858357894.db2.gz CMAHLGIJFGJTLD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073461314 858357905 /nfs/dbraw/zinc/35/79/05/858357905.db2.gz CMAHLGIJFGJTLD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073461314 858357912 /nfs/dbraw/zinc/35/79/12/858357912.db2.gz CMAHLGIJFGJTLD-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001121772489 858593575 /nfs/dbraw/zinc/59/35/75/858593575.db2.gz BIULCUSGSJBGFJ-ZHIXCNEBSA-N 2 1 303.450 1.224 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C12CCC2 ZINC001203013341 860593205 /nfs/dbraw/zinc/59/32/05/860593205.db2.gz JCGBJNODGQTMKI-GJZGRUSLSA-N 2 1 300.406 1.383 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001328764744 863204159 /nfs/dbraw/zinc/20/41/59/863204159.db2.gz CXCKWFLOCNOQTJ-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001328764744 863204171 /nfs/dbraw/zinc/20/41/71/863204171.db2.gz CXCKWFLOCNOQTJ-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C[NH+](C)C ZINC001157137941 863607489 /nfs/dbraw/zinc/60/74/89/863607489.db2.gz JFDGWXWUGQZDFE-OAHLLOKOSA-N 2 1 301.434 1.822 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001330622941 864492702 /nfs/dbraw/zinc/49/27/02/864492702.db2.gz UJMAZVZAJZSUIW-JOCQHMNTSA-N 2 1 306.410 1.410 20 30 DDEDMP C=CCC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001159869251 865572986 /nfs/dbraw/zinc/57/29/86/865572986.db2.gz WWPGPDHLGJDFRA-MRXNPFEDSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001161212781 866444032 /nfs/dbraw/zinc/44/40/32/866444032.db2.gz AJJFYIWQHNDZKI-INIZCTEOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952258 867135022 /nfs/dbraw/zinc/13/50/22/867135022.db2.gz FAHHFQLKEAFRRT-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001324740922 867491902 /nfs/dbraw/zinc/49/19/02/867491902.db2.gz IOXKXPNMNHHBDW-AEFFLSMTSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001325055746 867726111 /nfs/dbraw/zinc/72/61/11/867726111.db2.gz VBDMAUWSKIIQTO-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001325055746 867726127 /nfs/dbraw/zinc/72/61/27/867726127.db2.gz VBDMAUWSKIIQTO-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001325055746 867726141 /nfs/dbraw/zinc/72/61/41/867726141.db2.gz VBDMAUWSKIIQTO-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001325055746 867726157 /nfs/dbraw/zinc/72/61/57/867726157.db2.gz VBDMAUWSKIIQTO-ZIAGYGMSSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](F)CC)CC1 ZINC001322308739 868107950 /nfs/dbraw/zinc/10/79/50/868107950.db2.gz ZKPRGQVBSSYADS-HOCLYGCPSA-N 2 1 311.445 1.516 20 30 DDEDMP C=CC(C)(C)CNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336111335 868736831 /nfs/dbraw/zinc/73/68/31/868736831.db2.gz VZHBLRIXEIRXNW-IYBDPMFKSA-N 2 1 320.481 1.809 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001166667792 870141605 /nfs/dbraw/zinc/14/16/05/870141605.db2.gz IPQJAOLFPCTLDP-HNNXBMFYSA-N 2 1 314.433 1.496 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C12CCC2 ZINC001203490610 870588045 /nfs/dbraw/zinc/58/80/45/870588045.db2.gz DBTPRSJUKGCELW-CVEARBPZSA-N 2 1 314.433 1.622 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203729525 870728440 /nfs/dbraw/zinc/72/84/40/870728440.db2.gz HALNXCPLBLPECA-HUUCEWRRSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317862952 871603885 /nfs/dbraw/zinc/60/38/85/871603885.db2.gz KFSCWRRIQXQDHD-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316772938 872020984 /nfs/dbraw/zinc/02/09/84/872020984.db2.gz QKPMELSMFLPPMJ-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206068588 872031586 /nfs/dbraw/zinc/03/15/86/872031586.db2.gz VHSNGPGFCVNHRU-INIZCTEOSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCC[NH2+]CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001318894721 872333825 /nfs/dbraw/zinc/33/38/25/872333825.db2.gz AHMXHNHYOSCPTA-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331396 874020767 /nfs/dbraw/zinc/02/07/67/874020767.db2.gz ROWHDTQCFSFZHP-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662225 876430721 /nfs/dbraw/zinc/43/07/21/876430721.db2.gz ZVUDSFAYVUMNAR-BZUAXINKSA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379213734 876624221 /nfs/dbraw/zinc/62/42/21/876624221.db2.gz FCFDRBAFPZNOSA-IHRRRGAJSA-N 2 1 301.862 1.906 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001215381406 876688569 /nfs/dbraw/zinc/68/85/69/876688569.db2.gz WHLMYGQZXIZWJA-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C1 ZINC001219055098 877895775 /nfs/dbraw/zinc/89/57/75/877895775.db2.gz WKYWCJVLAOTZMY-IXDOHACOSA-N 2 1 323.481 1.593 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055098 877895793 /nfs/dbraw/zinc/89/57/93/877895793.db2.gz WKYWCJVLAOTZMY-IXDOHACOSA-N 2 1 323.481 1.593 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C(C)C)[C@H]2C1 ZINC001219055098 877895808 /nfs/dbraw/zinc/89/58/08/877895808.db2.gz WKYWCJVLAOTZMY-IXDOHACOSA-N 2 1 323.481 1.593 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001380169159 878956878 /nfs/dbraw/zinc/95/68/78/878956878.db2.gz LJRKIZJGUREAMI-INIZCTEOSA-N 2 1 312.417 1.248 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001380169159 878956892 /nfs/dbraw/zinc/95/68/92/878956892.db2.gz LJRKIZJGUREAMI-INIZCTEOSA-N 2 1 312.417 1.248 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877660 880130101 /nfs/dbraw/zinc/13/01/01/880130101.db2.gz CFAGERCGLDRGMP-KURKYZTESA-N 2 1 319.493 1.909 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947126 880162232 /nfs/dbraw/zinc/16/22/32/880162232.db2.gz SQCLQQNLOKVHNL-BRWVUGGUSA-N 2 1 323.481 1.452 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222789170 880699788 /nfs/dbraw/zinc/69/97/88/880699788.db2.gz FZJVXDMYNWMCCK-ZACQAIPSSA-N 2 1 323.456 1.612 20 30 DDEDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3cnn4ccc(C#N)cc34)C[C@H]2CC1 ZINC001277415783 884142137 /nfs/dbraw/zinc/14/21/37/884142137.db2.gz AKYHJSPLALRUAV-IYBDPMFKSA-N 2 1 309.417 1.980 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3cnn4ccc(C#N)cc34)C[C@H]2CC1 ZINC001277415783 884142145 /nfs/dbraw/zinc/14/21/45/884142145.db2.gz AKYHJSPLALRUAV-IYBDPMFKSA-N 2 1 309.417 1.980 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@H+](Cc3cnn4ccc(C#N)cc34)C[C@H]2CC1 ZINC001277415783 884142150 /nfs/dbraw/zinc/14/21/50/884142150.db2.gz AKYHJSPLALRUAV-IYBDPMFKSA-N 2 1 309.417 1.980 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001235596231 888788343 /nfs/dbraw/zinc/78/83/43/888788343.db2.gz GTUNWOKFHNJBLE-SJLPKXTDSA-N 2 1 319.424 1.739 20 30 DDEDMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CC=C)CC1 ZINC001278194326 890068138 /nfs/dbraw/zinc/06/81/38/890068138.db2.gz KHYPIEBUMZFISL-UHFFFAOYSA-N 2 1 305.466 1.831 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001281956028 890344566 /nfs/dbraw/zinc/34/45/66/890344566.db2.gz ACAIQOICMXVJTB-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001281956028 890344580 /nfs/dbraw/zinc/34/45/80/890344580.db2.gz ACAIQOICMXVJTB-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001281956028 890344597 /nfs/dbraw/zinc/34/45/97/890344597.db2.gz ACAIQOICMXVJTB-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001366369337 893342739 /nfs/dbraw/zinc/34/27/39/893342739.db2.gz CWUODCDMNUYPFV-CQSZACIVSA-N 2 1 309.841 1.965 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001366369337 893342754 /nfs/dbraw/zinc/34/27/54/893342754.db2.gz CWUODCDMNUYPFV-CQSZACIVSA-N 2 1 309.841 1.965 20 30 DDEDMP CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001366586864 894154789 /nfs/dbraw/zinc/15/47/89/894154789.db2.gz YOFVTLBVLNVVRP-OAHLLOKOSA-N 2 1 322.478 1.754 20 30 DDEDMP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1)[NH+](C)C ZINC001366586864 894154793 /nfs/dbraw/zinc/15/47/93/894154793.db2.gz YOFVTLBVLNVVRP-OAHLLOKOSA-N 2 1 322.478 1.754 20 30 DDEDMP CCCCCCCC[C@@H](O)C[NH2+]CCC[NH+](CCO)CCO ZINC001252137048 895028299 /nfs/dbraw/zinc/02/82/99/895028299.db2.gz WBXOANMQIOWHSG-QGZVFWFLSA-N 2 1 318.502 1.364 20 30 DDEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001278878881 897080829 /nfs/dbraw/zinc/08/08/29/897080829.db2.gz WAYXLZXROVBBQF-HZPDHXFCSA-N 2 1 311.470 1.186 20 30 DDEDMP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001278878881 897080842 /nfs/dbraw/zinc/08/08/42/897080842.db2.gz WAYXLZXROVBBQF-HZPDHXFCSA-N 2 1 311.470 1.186 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001278878881 897080860 /nfs/dbraw/zinc/08/08/60/897080860.db2.gz WAYXLZXROVBBQF-HZPDHXFCSA-N 2 1 311.470 1.186 20 30 DDEDMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C1CCC(C#N)CC1)CC2 ZINC001256966862 897646732 /nfs/dbraw/zinc/64/67/32/897646732.db2.gz PYIFBRDYMVXMHG-UHFFFAOYSA-N 2 1 318.465 1.745 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001390726361 900027166 /nfs/dbraw/zinc/02/71/66/900027166.db2.gz GJDZKVHTKXTUBG-OAHLLOKOSA-N 2 1 316.449 1.883 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001265401103 901972583 /nfs/dbraw/zinc/97/25/83/901972583.db2.gz KHCYHYBLHAEAJP-QGZVFWFLSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265401103 901972595 /nfs/dbraw/zinc/97/25/95/901972595.db2.gz KHCYHYBLHAEAJP-QGZVFWFLSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001265401103 901972607 /nfs/dbraw/zinc/97/26/07/901972607.db2.gz KHCYHYBLHAEAJP-QGZVFWFLSA-N 2 1 323.481 1.147 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001265448213 902027714 /nfs/dbraw/zinc/02/77/14/902027714.db2.gz ODSHBKJEIKBENE-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001266222503 903142362 /nfs/dbraw/zinc/14/23/62/903142362.db2.gz CJHIEWCJFCPIPD-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001371366555 904808247 /nfs/dbraw/zinc/80/82/47/904808247.db2.gz XKXWZRVYHOCEMH-OLZOCXBDSA-N 2 1 320.462 1.556 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001282928086 906260126 /nfs/dbraw/zinc/26/01/26/906260126.db2.gz IWIBEKQLKNIRLD-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001283344232 907182174 /nfs/dbraw/zinc/18/21/74/907182174.db2.gz OEKWXUJJNLCERN-IYBDPMFKSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001283344232 907182184 /nfs/dbraw/zinc/18/21/84/907182184.db2.gz OEKWXUJJNLCERN-IYBDPMFKSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001283344232 907182201 /nfs/dbraw/zinc/18/22/01/907182201.db2.gz OEKWXUJJNLCERN-IYBDPMFKSA-N 2 1 305.466 1.805 20 30 DDEDMP CN(C[C@H]1CC[N@@H+]1Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001397549575 916289649 /nfs/dbraw/zinc/28/96/49/916289649.db2.gz USSBQIMPRPDVIG-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP CN(C[C@H]1CC[N@H+]1Cc1cccc(C#N)c1)C(=O)CC[NH+](C)C ZINC001397549575 916289664 /nfs/dbraw/zinc/28/96/64/916289664.db2.gz USSBQIMPRPDVIG-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001376350257 918292405 /nfs/dbraw/zinc/29/24/05/918292405.db2.gz TYHOQPQOIJDXFJ-KBPBESRZSA-N 2 1 301.862 1.907 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000297272818 222835469 /nfs/dbraw/zinc/83/54/69/222835469.db2.gz FSNQSEUBFIDXKR-UHFFFAOYSA-N 2 1 320.437 1.308 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1(C#N)CCOCC1 ZINC000597941883 357391619 /nfs/dbraw/zinc/39/16/19/357391619.db2.gz GCYUYMWXWKTDOI-HNNXBMFYSA-N 2 1 324.469 1.085 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1(C#N)CCOCC1 ZINC000597941883 357391621 /nfs/dbraw/zinc/39/16/21/357391621.db2.gz GCYUYMWXWKTDOI-HNNXBMFYSA-N 2 1 324.469 1.085 20 30 DDEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600718797 358294376 /nfs/dbraw/zinc/29/43/76/358294376.db2.gz ATHWKLZOWMYGBM-NVXWUHKLSA-N 2 1 317.433 1.619 20 30 DDEDMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)cc1 ZINC000602602943 359065898 /nfs/dbraw/zinc/06/58/98/359065898.db2.gz PBZVRYKSTPKICJ-IAGOWNOFSA-N 2 1 314.433 1.707 20 30 DDEDMP C[C@H](CC#N)NCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000602860687 359246031 /nfs/dbraw/zinc/24/60/31/359246031.db2.gz DLBQUWRPYMPWIZ-OAHLLOKOSA-N 2 1 322.453 1.029 20 30 DDEDMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000281372961 216254986 /nfs/dbraw/zinc/25/49/86/216254986.db2.gz OQCPSCTVJJKHCW-KRWDZBQOSA-N 2 1 317.433 1.716 20 30 DDEDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000281372961 216254987 /nfs/dbraw/zinc/25/49/87/216254987.db2.gz OQCPSCTVJJKHCW-KRWDZBQOSA-N 2 1 317.433 1.716 20 30 DDEDMP CC(C)(C)NC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000104167729 407348509 /nfs/dbraw/zinc/34/85/09/407348509.db2.gz FFFGHODRBZFEEU-HNNXBMFYSA-N 2 1 304.438 1.108 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000104171767 407348604 /nfs/dbraw/zinc/34/86/04/407348604.db2.gz PEYNRYPZVXPZMT-QGZVFWFLSA-N 3 1 317.481 1.637 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911202 407552770 /nfs/dbraw/zinc/55/27/70/407552770.db2.gz YIQJBCUCDLUCLF-HZPDHXFCSA-N 2 1 320.412 1.308 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(F)c1 ZINC000170915040 407556025 /nfs/dbraw/zinc/55/60/25/407556025.db2.gz HYAQQSCTKFSODK-AWEZNQCLSA-N 2 1 322.428 1.765 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000262672278 407896774 /nfs/dbraw/zinc/89/67/74/407896774.db2.gz RQNXSANNDYOGLH-DZGCQCFKSA-N 2 1 304.442 1.283 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873784 408130158 /nfs/dbraw/zinc/13/01/58/408130158.db2.gz QMFXEBHCTBUYFJ-ZMSDIMECSA-N 2 1 318.465 1.836 20 30 DDEDMP C=CC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121269664 408174801 /nfs/dbraw/zinc/17/48/01/408174801.db2.gz UMLPEVGYFSDOBK-WBVHZDCISA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121269664 408174809 /nfs/dbraw/zinc/17/48/09/408174809.db2.gz UMLPEVGYFSDOBK-WBVHZDCISA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121269664 408174815 /nfs/dbraw/zinc/17/48/15/408174815.db2.gz UMLPEVGYFSDOBK-WBVHZDCISA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121269664 408174820 /nfs/dbraw/zinc/17/48/20/408174820.db2.gz UMLPEVGYFSDOBK-WBVHZDCISA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000177785205 408710849 /nfs/dbraw/zinc/71/08/49/408710849.db2.gz ONSDIQFTPPIRMB-ZFWWWQNUSA-N 2 1 306.454 1.561 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000178089778 408772712 /nfs/dbraw/zinc/77/27/12/408772712.db2.gz NRXWQDTVQPBBEB-RDJZCZTQSA-N 2 1 320.481 1.763 20 30 DDEDMP C=Cc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000290948898 408855435 /nfs/dbraw/zinc/85/54/35/408855435.db2.gz LRYMEHZQUMYFKX-UHFFFAOYSA-N 2 1 316.449 1.499 20 30 DDEDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(C#N)n(C)c2)C[C@H](C)O1 ZINC000190893552 163163759 /nfs/dbraw/zinc/16/37/59/163163759.db2.gz YUILIGFLPICRQS-GASCZTMLSA-N 2 1 304.438 1.876 20 30 DDEDMP CC[N@@H+](CCNC(=[NH2+])N[C@H]1CCOc2ccccc21)C1CC1 ZINC000304467787 409630254 /nfs/dbraw/zinc/63/02/54/409630254.db2.gz CEGWYFXIJWTCKU-HNNXBMFYSA-N 2 1 302.422 1.899 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304795819 409645645 /nfs/dbraw/zinc/64/56/45/409645645.db2.gz MMXQTJIDFKYQRB-UHFFFAOYSA-N 2 1 307.486 1.417 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000297655993 409943551 /nfs/dbraw/zinc/94/35/51/409943551.db2.gz IPNAJHANDSGFRL-AWEZNQCLSA-N 2 1 306.410 1.137 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000297655993 409943557 /nfs/dbraw/zinc/94/35/57/409943557.db2.gz IPNAJHANDSGFRL-AWEZNQCLSA-N 2 1 306.410 1.137 20 30 DDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2nc[nH]c2C1 ZINC000329733212 410426100 /nfs/dbraw/zinc/42/61/00/410426100.db2.gz JLGJKXSERNQRNZ-JHJVBQTASA-N 2 1 303.410 1.350 20 30 DDEDMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329733212 410426105 /nfs/dbraw/zinc/42/61/05/410426105.db2.gz JLGJKXSERNQRNZ-JHJVBQTASA-N 2 1 303.410 1.350 20 30 DDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+][C@@H]1CCc2[nH]cnc2C1 ZINC000329733212 410426111 /nfs/dbraw/zinc/42/61/11/410426111.db2.gz JLGJKXSERNQRNZ-JHJVBQTASA-N 2 1 303.410 1.350 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000352665881 410673984 /nfs/dbraw/zinc/67/39/84/410673984.db2.gz GFPYSGOGYRNZKL-ROUUACIJSA-N 2 1 306.498 1.042 20 30 DDEDMP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000330279080 410612528 /nfs/dbraw/zinc/61/25/28/410612528.db2.gz QMJOIPCWKYKMQM-MGPQQGTHSA-N 2 1 305.426 1.526 20 30 DDEDMP C[C@@H]1C[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000330279080 410612531 /nfs/dbraw/zinc/61/25/31/410612531.db2.gz QMJOIPCWKYKMQM-MGPQQGTHSA-N 2 1 305.426 1.526 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(CC#N)cc1 ZINC000343725465 410649962 /nfs/dbraw/zinc/64/99/62/410649962.db2.gz FRDQLLFLZZBRRZ-UHFFFAOYSA-N 2 1 300.450 1.822 20 30 DDEDMP C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000341899844 411084126 /nfs/dbraw/zinc/08/41/26/411084126.db2.gz HNIIMBXGXAGSNK-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000341899844 411084131 /nfs/dbraw/zinc/08/41/31/411084131.db2.gz HNIIMBXGXAGSNK-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000341899844 411084136 /nfs/dbraw/zinc/08/41/36/411084136.db2.gz HNIIMBXGXAGSNK-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247076078 222227365 /nfs/dbraw/zinc/22/73/65/222227365.db2.gz GSZWEVUQYMOCDQ-CABCVRRESA-N 2 1 317.437 1.843 20 30 DDEDMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247076078 222227367 /nfs/dbraw/zinc/22/73/67/222227367.db2.gz GSZWEVUQYMOCDQ-CABCVRRESA-N 2 1 317.437 1.843 20 30 DDEDMP CC[NH+]=C(NCC1CCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261711006 222254749 /nfs/dbraw/zinc/25/47/49/222254749.db2.gz KAPZKGFLITVQHS-INIZCTEOSA-N 2 1 308.470 1.406 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1C[NH+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261953235 222263936 /nfs/dbraw/zinc/26/39/36/222263936.db2.gz HZNFSYWJTSUHRT-NUEKZKHPSA-N 3 1 307.486 1.118 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261953235 222263940 /nfs/dbraw/zinc/26/39/40/222263940.db2.gz HZNFSYWJTSUHRT-NUEKZKHPSA-N 3 1 307.486 1.118 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261953235 222263944 /nfs/dbraw/zinc/26/39/44/222263944.db2.gz HZNFSYWJTSUHRT-NUEKZKHPSA-N 2 1 307.486 1.118 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CNC(N[C@@H]1CN(C2CC2)C[C@@H]1C)=[NH+]C ZINC000261953235 222263946 /nfs/dbraw/zinc/26/39/46/222263946.db2.gz HZNFSYWJTSUHRT-NUEKZKHPSA-N 2 1 307.486 1.118 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)c(O)c(C)c1 ZINC000264134271 222323727 /nfs/dbraw/zinc/32/37/27/222323727.db2.gz ZEKMADBHTUXFQX-OAHLLOKOSA-N 2 1 304.438 1.898 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@]2(CCOC2)C1 ZINC000262002118 222268818 /nfs/dbraw/zinc/26/88/18/222268818.db2.gz UQQOFZMSDVSVSF-RDJZCZTQSA-N 2 1 308.470 1.549 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262008395 222269352 /nfs/dbraw/zinc/26/93/52/222269352.db2.gz WBLBVYBQDKNYMG-HRCADAONSA-N 2 1 318.469 1.293 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COc2ccccc21 ZINC000262258171 222273773 /nfs/dbraw/zinc/27/37/73/222273773.db2.gz FRDUMHRWTJIHIH-KBPBESRZSA-N 2 1 302.422 1.551 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000264071077 222313157 /nfs/dbraw/zinc/31/31/57/222313157.db2.gz DEPZEFRFASGTKP-CQSZACIVSA-N 2 1 319.453 1.305 20 30 DDEDMP CCc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000264103974 222317757 /nfs/dbraw/zinc/31/77/57/222317757.db2.gz OXACAGZAVZTFQW-UHFFFAOYSA-N 2 1 310.467 1.437 20 30 DDEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000267439646 222385421 /nfs/dbraw/zinc/38/54/21/222385421.db2.gz OQZKJWWCNDMDOD-INIZCTEOSA-N 2 1 303.454 1.782 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000362026715 418741282 /nfs/dbraw/zinc/74/12/82/418741282.db2.gz XAJWFQAUCZJCRW-RDJZCZTQSA-N 2 1 320.481 1.763 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000362724268 418759155 /nfs/dbraw/zinc/75/91/55/418759155.db2.gz KCYCRVWDHVIKJC-GOSISDBHSA-N 2 1 311.429 1.635 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000362724268 418759157 /nfs/dbraw/zinc/75/91/57/418759157.db2.gz KCYCRVWDHVIKJC-GOSISDBHSA-N 2 1 311.429 1.635 20 30 DDEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C(C)(C)C#N)CC2)CC1 ZINC000371087235 418761002 /nfs/dbraw/zinc/76/10/02/418761002.db2.gz MJLVFJBQYILEKX-UHFFFAOYSA-N 2 1 320.481 1.849 20 30 DDEDMP C#CCCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371073450 418761433 /nfs/dbraw/zinc/76/14/33/418761433.db2.gz LJSCCVWUFXLBPK-UHFFFAOYSA-N 2 1 320.481 1.505 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000363414648 418765281 /nfs/dbraw/zinc/76/52/81/418765281.db2.gz PTQMDZYQWLRAGV-XLAORIBOSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@H]3CCCC[NH+]3C[C@H]2C1 ZINC000363414648 418765282 /nfs/dbraw/zinc/76/52/82/418765282.db2.gz PTQMDZYQWLRAGV-XLAORIBOSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2[C@H]3CCCC[N@H+]3C[C@H]2C1 ZINC000363414648 418765283 /nfs/dbraw/zinc/76/52/83/418765283.db2.gz PTQMDZYQWLRAGV-XLAORIBOSA-N 2 1 317.477 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000363414648 418765284 /nfs/dbraw/zinc/76/52/84/418765284.db2.gz PTQMDZYQWLRAGV-XLAORIBOSA-N 2 1 317.477 1.992 20 30 DDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000368844916 418725539 /nfs/dbraw/zinc/72/55/39/418725539.db2.gz JMSKHYNEZMFYDZ-DZGCQCFKSA-N 2 1 323.400 1.995 20 30 DDEDMP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000368833956 418725650 /nfs/dbraw/zinc/72/56/50/418725650.db2.gz LUDLDGOEHREDEH-QGZVFWFLSA-N 2 1 317.481 1.779 20 30 DDEDMP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000422986660 227298796 /nfs/dbraw/zinc/29/87/96/227298796.db2.gz DCMXCDUCXMAFCN-KSZLIROESA-N 2 1 315.417 1.684 20 30 DDEDMP COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534211306 421685465 /nfs/dbraw/zinc/68/54/65/421685465.db2.gz PZDSKQHSGOITNT-HZPDHXFCSA-N 2 1 324.384 1.995 20 30 DDEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000578013943 422478273 /nfs/dbraw/zinc/47/82/73/422478273.db2.gz OHLWYSDQKNCWBS-OAHLLOKOSA-N 2 1 324.432 1.765 20 30 DDEDMP C=CC[C@@H](CO)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720528 422585841 /nfs/dbraw/zinc/58/58/41/422585841.db2.gz LEAJQEDJOZEDDS-QZTJIDSGSA-N 2 1 304.434 1.398 20 30 DDEDMP C=CC[C@@H](CO)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720528 422585846 /nfs/dbraw/zinc/58/58/46/422585846.db2.gz LEAJQEDJOZEDDS-QZTJIDSGSA-N 2 1 304.434 1.398 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1c2ccccc2O[C@H]1C ZINC000262274737 279303612 /nfs/dbraw/zinc/30/36/12/279303612.db2.gz JDSFIBTVYVHVAT-ZENOOKHLSA-N 2 1 302.422 1.897 20 30 DDEDMP C=CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nn1 ZINC000655942795 484045183 /nfs/dbraw/zinc/04/51/83/484045183.db2.gz YXEALXIJNBAEBZ-USXIJHARSA-N 2 1 319.453 1.715 20 30 DDEDMP C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nn1 ZINC000655942795 484045189 /nfs/dbraw/zinc/04/51/89/484045189.db2.gz YXEALXIJNBAEBZ-USXIJHARSA-N 2 1 319.453 1.715 20 30 DDEDMP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000330276761 534764297 /nfs/dbraw/zinc/76/42/97/534764297.db2.gz NJHWWTRRFNIPOE-LSDHHAIUSA-N 2 1 317.437 1.530 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980242897 696716758 /nfs/dbraw/zinc/71/67/58/696716758.db2.gz UZDZDUGRSNNEII-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980242897 696716759 /nfs/dbraw/zinc/71/67/59/696716759.db2.gz UZDZDUGRSNNEII-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975278 695771580 /nfs/dbraw/zinc/77/15/80/695771580.db2.gz SWNKYDOABJQERJ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975278 695771582 /nfs/dbraw/zinc/77/15/82/695771582.db2.gz SWNKYDOABJQERJ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975278 695771585 /nfs/dbraw/zinc/77/15/85/695771585.db2.gz SWNKYDOABJQERJ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974975278 695771586 /nfs/dbraw/zinc/77/15/86/695771586.db2.gz SWNKYDOABJQERJ-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978610032 696423002 /nfs/dbraw/zinc/42/30/02/696423002.db2.gz AWCBFOHJJZWUHB-TVFCKZIOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978610032 696423004 /nfs/dbraw/zinc/42/30/04/696423004.db2.gz AWCBFOHJJZWUHB-TVFCKZIOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978610032 696423006 /nfs/dbraw/zinc/42/30/06/696423006.db2.gz AWCBFOHJJZWUHB-TVFCKZIOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979075841 696492630 /nfs/dbraw/zinc/49/26/30/696492630.db2.gz GFZRHSZBYCRYER-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979075841 696492631 /nfs/dbraw/zinc/49/26/31/696492631.db2.gz GFZRHSZBYCRYER-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979075841 696492632 /nfs/dbraw/zinc/49/26/32/696492632.db2.gz GFZRHSZBYCRYER-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000981815778 696928222 /nfs/dbraw/zinc/92/82/22/696928222.db2.gz AFRFOYAFPFVSDJ-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000981815778 696928225 /nfs/dbraw/zinc/92/82/25/696928225.db2.gz AFRFOYAFPFVSDJ-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000981815778 696928228 /nfs/dbraw/zinc/92/82/28/696928228.db2.gz AFRFOYAFPFVSDJ-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163850 697046361 /nfs/dbraw/zinc/04/63/61/697046361.db2.gz ZCZYLJGXFXOHFC-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163850 697046363 /nfs/dbraw/zinc/04/63/63/697046363.db2.gz ZCZYLJGXFXOHFC-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163850 697046366 /nfs/dbraw/zinc/04/63/66/697046366.db2.gz ZCZYLJGXFXOHFC-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000981482689 697107874 /nfs/dbraw/zinc/10/78/74/697107874.db2.gz ADPKIZCCQOEGSF-OAHLLOKOSA-N 2 1 300.406 1.003 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000981482689 697107876 /nfs/dbraw/zinc/10/78/76/697107876.db2.gz ADPKIZCCQOEGSF-OAHLLOKOSA-N 2 1 300.406 1.003 20 30 DDEDMP CN1CCc2cc(C=[NH+]NCCC[NH+]3CCOCC3)ccc21 ZINC000799490925 700145965 /nfs/dbraw/zinc/14/59/65/700145965.db2.gz ZZXJUJPGSCOPBN-UHFFFAOYSA-N 2 1 302.422 1.325 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000985654412 697550820 /nfs/dbraw/zinc/55/08/20/697550820.db2.gz OOHNQSHTBBIOAZ-SFHVURJKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000985654412 697550821 /nfs/dbraw/zinc/55/08/21/697550821.db2.gz OOHNQSHTBBIOAZ-SFHVURJKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000985654412 697550822 /nfs/dbraw/zinc/55/08/22/697550822.db2.gz OOHNQSHTBBIOAZ-SFHVURJKSA-N 2 1 323.456 1.755 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303771082 698605663 /nfs/dbraw/zinc/60/56/63/698605663.db2.gz CIYMGAUPDWBCLH-INIZCTEOSA-N 3 1 309.502 1.497 20 30 DDEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCCCC1 ZINC000303788647 698607158 /nfs/dbraw/zinc/60/71/58/698607158.db2.gz ULMRALZNWARARE-UHFFFAOYSA-N 2 1 316.449 1.819 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990691265 699133746 /nfs/dbraw/zinc/13/37/46/699133746.db2.gz UQZLOUVEJFEIHH-ZIFCJYIRSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000730098251 699500900 /nfs/dbraw/zinc/50/09/00/699500900.db2.gz XZDSECXDSLNRQE-KRWDZBQOSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000730098251 699500902 /nfs/dbraw/zinc/50/09/02/699500902.db2.gz XZDSECXDSLNRQE-KRWDZBQOSA-N 2 1 303.450 1.561 20 30 DDEDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000843406908 702875137 /nfs/dbraw/zinc/87/51/37/702875137.db2.gz MTTIUYRJKREMIX-UHFFFAOYSA-N 2 1 324.432 1.909 20 30 DDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585429 704532903 /nfs/dbraw/zinc/53/29/03/704532903.db2.gz DWLREZMCXADLKD-ZWKOTPCHSA-N 2 1 319.449 1.923 20 30 DDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585429 704532904 /nfs/dbraw/zinc/53/29/04/704532904.db2.gz DWLREZMCXADLKD-ZWKOTPCHSA-N 2 1 319.449 1.923 20 30 DDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585429 704532905 /nfs/dbraw/zinc/53/29/05/704532905.db2.gz DWLREZMCXADLKD-ZWKOTPCHSA-N 2 1 319.449 1.923 20 30 DDEDMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000876764235 705865210 /nfs/dbraw/zinc/86/52/10/705865210.db2.gz MBPNQVQAOYUBDZ-ISTRZQFTSA-N 2 1 312.417 1.344 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000876948278 705934392 /nfs/dbraw/zinc/93/43/92/705934392.db2.gz KJZHEOVIRICDFF-HOTGVXAUSA-N 2 1 321.852 1.842 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000876948278 705934394 /nfs/dbraw/zinc/93/43/94/705934394.db2.gz KJZHEOVIRICDFF-HOTGVXAUSA-N 2 1 321.852 1.842 20 30 DDEDMP C=CCNC(NC[C@@H](O)C(F)(F)F)=[NH+]C[C@H]1CCC[N@@H+]1CC ZINC000864236579 706106649 /nfs/dbraw/zinc/10/66/49/706106649.db2.gz PYMIFMJHGNGYOU-VXGBXAGGSA-N 2 1 322.375 1.115 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H]1C ZINC000884225842 708199156 /nfs/dbraw/zinc/19/91/56/708199156.db2.gz DVLITHRZWIZXKH-YOUGENKZSA-N 2 1 318.465 1.457 20 30 DDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000884393914 708278304 /nfs/dbraw/zinc/27/83/04/708278304.db2.gz PHRQWOKCBLVRGH-PLQZLIEUSA-N 2 1 316.449 1.259 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000913519046 713243475 /nfs/dbraw/zinc/24/34/75/713243475.db2.gz LAJVUHVMKQLQDB-QGZVFWFLSA-N 2 1 317.408 1.471 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000913519046 713243476 /nfs/dbraw/zinc/24/34/76/713243476.db2.gz LAJVUHVMKQLQDB-QGZVFWFLSA-N 2 1 317.408 1.471 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000914074456 713338703 /nfs/dbraw/zinc/33/87/03/713338703.db2.gz FWSROUQMKXSJJT-CVEARBPZSA-N 2 1 320.481 1.504 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)C(C)C ZINC000914125796 713345852 /nfs/dbraw/zinc/34/58/52/713345852.db2.gz NRHOADMAHMWMGD-CVEARBPZSA-N 2 1 308.470 1.688 20 30 DDEDMP C[C@@H]1CN(c2ccccc2C=[NH+]N2CC[NH+](C)CC2)CCO1 ZINC000915933771 713435749 /nfs/dbraw/zinc/43/57/49/713435749.db2.gz HUZAPPBBANBXCU-OAHLLOKOSA-N 2 1 302.422 1.493 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000917141763 713484663 /nfs/dbraw/zinc/48/46/63/713484663.db2.gz ILQICXLAKSEHHU-UHFFFAOYSA-N 2 1 317.437 1.752 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)C1 ZINC000963830713 717919823 /nfs/dbraw/zinc/91/98/23/717919823.db2.gz SKIMAUHTWMYORY-YZWRWTPUSA-N 2 1 319.449 1.053 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000960174634 716440106 /nfs/dbraw/zinc/44/01/06/716440106.db2.gz KKMYARLTEIPWBJ-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960174634 716440107 /nfs/dbraw/zinc/44/01/07/716440107.db2.gz KKMYARLTEIPWBJ-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC000960174634 716440112 /nfs/dbraw/zinc/44/01/12/716440112.db2.gz KKMYARLTEIPWBJ-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960719490 716667858 /nfs/dbraw/zinc/66/78/58/716667858.db2.gz FLAXDCZZLSQRNR-TWMKSMIVSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960719490 716667861 /nfs/dbraw/zinc/66/78/61/716667861.db2.gz FLAXDCZZLSQRNR-TWMKSMIVSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC000960719490 716667864 /nfs/dbraw/zinc/66/78/64/716667864.db2.gz FLAXDCZZLSQRNR-TWMKSMIVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223727 717133282 /nfs/dbraw/zinc/13/32/82/717133282.db2.gz KDZQAFKZOTUQSK-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223727 717133284 /nfs/dbraw/zinc/13/32/84/717133284.db2.gz KDZQAFKZOTUQSK-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000963319160 717740113 /nfs/dbraw/zinc/74/01/13/717740113.db2.gz IWWJTATYLUTSQM-JCYILVPMSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943290459 718069831 /nfs/dbraw/zinc/06/98/31/718069831.db2.gz YASAAEJVIFNFLD-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943290459 718069835 /nfs/dbraw/zinc/06/98/35/718069835.db2.gz YASAAEJVIFNFLD-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755947 718184715 /nfs/dbraw/zinc/18/47/15/718184715.db2.gz JLNBMLGRQLGIKG-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944169302 718265421 /nfs/dbraw/zinc/26/54/21/718265421.db2.gz NOYFEMZQEGGOBR-GOEBONIOSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C[C@H]2C)CC1 ZINC000945181513 718416175 /nfs/dbraw/zinc/41/61/75/718416175.db2.gz NUFVOJCZYFXUTO-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905183 718704672 /nfs/dbraw/zinc/70/46/72/718704672.db2.gz ZQPMCUVDFKEGMI-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905183 718704673 /nfs/dbraw/zinc/70/46/73/718704673.db2.gz ZQPMCUVDFKEGMI-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905182 718704767 /nfs/dbraw/zinc/70/47/67/718704767.db2.gz ZQPMCUVDFKEGMI-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905182 718704769 /nfs/dbraw/zinc/70/47/69/718704769.db2.gz ZQPMCUVDFKEGMI-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946592252 718845616 /nfs/dbraw/zinc/84/56/16/718845616.db2.gz DXXZYFCOAWFCDH-KSZLIROESA-N 2 1 315.461 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765040 718901447 /nfs/dbraw/zinc/90/14/47/718901447.db2.gz FVBVXKQOJKTWJG-IXDOHACOSA-N 2 1 305.466 1.376 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936576 719885683 /nfs/dbraw/zinc/88/56/83/719885683.db2.gz LIPGRCBYQNLXKZ-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173969 733085569 /nfs/dbraw/zinc/08/55/69/733085569.db2.gz JUFHRQFJIIFQRK-FUHWJXTLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173969 733085574 /nfs/dbraw/zinc/08/55/74/733085574.db2.gz JUFHRQFJIIFQRK-FUHWJXTLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173969 733085579 /nfs/dbraw/zinc/08/55/79/733085579.db2.gz JUFHRQFJIIFQRK-FUHWJXTLSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100458988 733164189 /nfs/dbraw/zinc/16/41/89/733164189.db2.gz PBPBPFMEECOMFG-UHFFFAOYSA-N 2 1 301.862 1.954 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604072 733360706 /nfs/dbraw/zinc/36/07/06/733360706.db2.gz ASNXGVPJOQOKMH-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021645490 733398408 /nfs/dbraw/zinc/39/84/08/733398408.db2.gz LXZORPDOCPVPEV-IAGOWNOFSA-N 2 1 314.433 1.609 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=C)C)C1 ZINC001104305984 733420534 /nfs/dbraw/zinc/42/05/34/733420534.db2.gz DQKGFIJFUBNIER-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=C)C)C1 ZINC001104305984 733420536 /nfs/dbraw/zinc/42/05/36/733420536.db2.gz DQKGFIJFUBNIER-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104311112 733444158 /nfs/dbraw/zinc/44/41/58/733444158.db2.gz SJUIONKMRUTMMP-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021895269 733648279 /nfs/dbraw/zinc/64/82/79/733648279.db2.gz KTBXKLVZNVVOGB-BBWFWOEESA-N 2 1 312.417 1.389 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC000972339817 734797558 /nfs/dbraw/zinc/79/75/58/734797558.db2.gz OTPRQRZVZOOKRT-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339817 734797563 /nfs/dbraw/zinc/79/75/63/734797563.db2.gz OTPRQRZVZOOKRT-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972339817 734797569 /nfs/dbraw/zinc/79/75/69/734797569.db2.gz OTPRQRZVZOOKRT-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023365074 735202150 /nfs/dbraw/zinc/20/21/50/735202150.db2.gz WISCWCMNQVVROQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023365074 735202152 /nfs/dbraw/zinc/20/21/52/735202152.db2.gz WISCWCMNQVVROQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023468554 735255498 /nfs/dbraw/zinc/25/54/98/735255498.db2.gz XDPJZUVHSFYIPA-HNNXBMFYSA-N 2 1 310.401 1.799 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501382 735881120 /nfs/dbraw/zinc/88/11/20/735881120.db2.gz FJSVMJMCLQALDF-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501382 735881125 /nfs/dbraw/zinc/88/11/25/735881125.db2.gz FJSVMJMCLQALDF-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037182 738957737 /nfs/dbraw/zinc/95/77/37/738957737.db2.gz QEAKNWIATXYEMX-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037182 738957740 /nfs/dbraw/zinc/95/77/40/738957740.db2.gz QEAKNWIATXYEMX-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037182 738957742 /nfs/dbraw/zinc/95/77/42/738957742.db2.gz QEAKNWIATXYEMX-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001026519671 737632404 /nfs/dbraw/zinc/63/24/04/737632404.db2.gz REXAHWHPFDWQSO-OFLPRAFFSA-N 2 1 305.466 1.757 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027465324 738317445 /nfs/dbraw/zinc/31/74/45/738317445.db2.gz VFLXRGMXWXTRKP-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027465324 738317449 /nfs/dbraw/zinc/31/74/49/738317449.db2.gz VFLXRGMXWXTRKP-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465324 738317451 /nfs/dbraw/zinc/31/74/51/738317451.db2.gz VFLXRGMXWXTRKP-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465324 738317454 /nfs/dbraw/zinc/31/74/54/738317454.db2.gz VFLXRGMXWXTRKP-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027979760 738901193 /nfs/dbraw/zinc/90/11/93/738901193.db2.gz ABXOOSRZXWZUSU-GJZGRUSLSA-N 2 1 302.422 1.602 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099980 739034910 /nfs/dbraw/zinc/03/49/10/739034910.db2.gz DFKSXVUPNAMOEQ-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099980 739034915 /nfs/dbraw/zinc/03/49/15/739034915.db2.gz DFKSXVUPNAMOEQ-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099991 739035385 /nfs/dbraw/zinc/03/53/85/739035385.db2.gz DLAQYJBYPVGDPM-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099991 739035390 /nfs/dbraw/zinc/03/53/90/739035390.db2.gz DLAQYJBYPVGDPM-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254247 739237486 /nfs/dbraw/zinc/23/74/86/739237486.db2.gz QDPWDWYWVSMZLS-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587234 739701132 /nfs/dbraw/zinc/70/11/32/739701132.db2.gz HXBPAENMHRKZKV-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587234 739701133 /nfs/dbraw/zinc/70/11/33/739701133.db2.gz HXBPAENMHRKZKV-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587234 739701134 /nfs/dbraw/zinc/70/11/34/739701134.db2.gz HXBPAENMHRKZKV-IAGOWNOFSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001029004435 740249921 /nfs/dbraw/zinc/24/99/21/740249921.db2.gz XHEDNCBOBWWMEH-WBVHZDCISA-N 2 1 323.456 1.518 20 30 DDEDMP C=C(Cl)CN1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908481 740846823 /nfs/dbraw/zinc/84/68/23/740846823.db2.gz DMGCWNUBTSBTMC-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908481 740846827 /nfs/dbraw/zinc/84/68/27/740846827.db2.gz DMGCWNUBTSBTMC-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908481 740846832 /nfs/dbraw/zinc/84/68/32/740846832.db2.gz DMGCWNUBTSBTMC-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908481 740846833 /nfs/dbraw/zinc/84/68/33/740846833.db2.gz DMGCWNUBTSBTMC-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964488 740891386 /nfs/dbraw/zinc/89/13/86/740891386.db2.gz MLOXTCYBAADLBA-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964488 740891390 /nfs/dbraw/zinc/89/13/90/740891390.db2.gz MLOXTCYBAADLBA-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964488 740891393 /nfs/dbraw/zinc/89/13/93/740891393.db2.gz MLOXTCYBAADLBA-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001168153799 741646484 /nfs/dbraw/zinc/64/64/84/741646484.db2.gz RAYJHXFOUVRHIN-UHFFFAOYSA-N 2 1 310.829 1.820 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757070 742302618 /nfs/dbraw/zinc/30/26/18/742302618.db2.gz HGDFSJSWQYGBAI-YOUGENKZSA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757070 742302624 /nfs/dbraw/zinc/30/26/24/742302624.db2.gz HGDFSJSWQYGBAI-YOUGENKZSA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001088757070 742302631 /nfs/dbraw/zinc/30/26/31/742302631.db2.gz HGDFSJSWQYGBAI-YOUGENKZSA-N 2 1 319.449 1.005 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076083502 742531409 /nfs/dbraw/zinc/53/14/09/742531409.db2.gz DGVGNKDBNCRLQV-RCCFBDPRSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076179686 742588402 /nfs/dbraw/zinc/58/84/02/742588402.db2.gz UMIBIIUYYVNHCD-ZMSDIMECSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001076179686 742588404 /nfs/dbraw/zinc/58/84/04/742588404.db2.gz UMIBIIUYYVNHCD-ZMSDIMECSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418875 742721668 /nfs/dbraw/zinc/72/16/68/742721668.db2.gz UCLMXFYBWXQLSH-DLBZAZTESA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001035725510 751816920 /nfs/dbraw/zinc/81/69/20/751816920.db2.gz WNYORLLFRJUUPJ-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001181962224 743395803 /nfs/dbraw/zinc/39/58/03/743395803.db2.gz OMKJDJZNUQPEOL-CXAGYDPISA-N 2 1 318.421 1.057 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002804501 743444051 /nfs/dbraw/zinc/44/40/51/743444051.db2.gz CRLQZGYUWGUJOP-DOTOQJQBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002876368 743542338 /nfs/dbraw/zinc/54/23/38/743542338.db2.gz YDQXPFDIBVCQFL-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185171201 744170676 /nfs/dbraw/zinc/17/06/76/744170676.db2.gz USGHUSDULBCYAM-DLBZAZTESA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185171204 744170862 /nfs/dbraw/zinc/17/08/62/744170862.db2.gz USGHUSDULBCYAM-SJORKVTESA-N 2 1 319.493 1.816 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC#CCOC)[C@@H](C)C1 ZINC001185446769 744224904 /nfs/dbraw/zinc/22/49/04/744224904.db2.gz OPRHVYWBGIFXRI-DLBZAZTESA-N 2 1 323.481 1.052 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001186362062 744384236 /nfs/dbraw/zinc/38/42/36/744384236.db2.gz FCAZYVBGHOVJEM-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001045965416 744522345 /nfs/dbraw/zinc/52/23/45/744522345.db2.gz HAHUUOKHTRTNQV-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045965416 744522350 /nfs/dbraw/zinc/52/23/50/744522350.db2.gz HAHUUOKHTRTNQV-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001045965416 744522352 /nfs/dbraw/zinc/52/23/52/744522352.db2.gz HAHUUOKHTRTNQV-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203169228 744537851 /nfs/dbraw/zinc/53/78/51/744537851.db2.gz QKTHPDUIMZFBNM-HUUCEWRRSA-N 2 1 300.406 1.232 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCCN3C)CCC[C@H]12 ZINC000992115821 744609939 /nfs/dbraw/zinc/60/99/39/744609939.db2.gz CTFXTLYQIRWNJF-BQFCYCMXSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992115821 744609944 /nfs/dbraw/zinc/60/99/44/744609944.db2.gz CTFXTLYQIRWNJF-BQFCYCMXSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992115821 744609946 /nfs/dbraw/zinc/60/99/46/744609946.db2.gz CTFXTLYQIRWNJF-BQFCYCMXSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992115821 744609948 /nfs/dbraw/zinc/60/99/48/744609948.db2.gz CTFXTLYQIRWNJF-BQFCYCMXSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992355730 744818313 /nfs/dbraw/zinc/81/83/13/744818313.db2.gz BAKHOXHVLPZGRE-AEFFLSMTSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992355730 744818316 /nfs/dbraw/zinc/81/83/16/744818316.db2.gz BAKHOXHVLPZGRE-AEFFLSMTSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992486823 744912074 /nfs/dbraw/zinc/91/20/74/744912074.db2.gz LFOGVRALUGQFEG-WBVHZDCISA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992486823 744912075 /nfs/dbraw/zinc/91/20/75/744912075.db2.gz LFOGVRALUGQFEG-WBVHZDCISA-N 2 1 302.422 1.881 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@H]12 ZINC000992497518 744919507 /nfs/dbraw/zinc/91/95/07/744919507.db2.gz PFNQGEOVKUQARL-HLLBOEOZSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@H]12 ZINC000992497518 744919509 /nfs/dbraw/zinc/91/95/09/744919509.db2.gz PFNQGEOVKUQARL-HLLBOEOZSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992497518 744919512 /nfs/dbraw/zinc/91/95/12/744919512.db2.gz PFNQGEOVKUQARL-HLLBOEOZSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@H]12 ZINC000992497518 744919515 /nfs/dbraw/zinc/91/95/15/744919515.db2.gz PFNQGEOVKUQARL-HLLBOEOZSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001190222086 745143952 /nfs/dbraw/zinc/14/39/52/745143952.db2.gz ZRAHUABEOMUMAR-SJORKVTESA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000992821685 745223145 /nfs/dbraw/zinc/22/31/45/745223145.db2.gz WCHJOBBZTYPHOB-YESZJQIVSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383266 745488648 /nfs/dbraw/zinc/48/86/48/745488648.db2.gz RYUXSIHIDMGCDR-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383266 745488652 /nfs/dbraw/zinc/48/86/52/745488652.db2.gz RYUXSIHIDMGCDR-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1c(F)cc(C#N)cc1F ZINC001191951090 745655029 /nfs/dbraw/zinc/65/50/29/745655029.db2.gz WWOLSSLXTXFDCC-UHFFFAOYSA-N 2 1 323.347 1.514 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192865542 745908463 /nfs/dbraw/zinc/90/84/63/745908463.db2.gz CJEUWSZSLSERIQ-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192865542 745908467 /nfs/dbraw/zinc/90/84/67/745908467.db2.gz CJEUWSZSLSERIQ-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077953 745969924 /nfs/dbraw/zinc/96/99/24/745969924.db2.gz PGPZIBFXYQCKMA-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001193434026 746107352 /nfs/dbraw/zinc/10/73/52/746107352.db2.gz XDGBNRRPLNVKDU-INIZCTEOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993926584 746377197 /nfs/dbraw/zinc/37/71/97/746377197.db2.gz JRTDBMKHDHLGLV-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001196631919 746918473 /nfs/dbraw/zinc/91/84/73/746918473.db2.gz QOERREGJXODVEN-IXDOHACOSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089562317 747222267 /nfs/dbraw/zinc/22/22/67/747222267.db2.gz BIHASKHEPVYTPX-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089562317 747222271 /nfs/dbraw/zinc/22/22/71/747222271.db2.gz BIHASKHEPVYTPX-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003494797 747250946 /nfs/dbraw/zinc/25/09/46/747250946.db2.gz FOFDITVUNPVNPL-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003494797 747250954 /nfs/dbraw/zinc/25/09/54/747250954.db2.gz FOFDITVUNPVNPL-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001031668827 747352412 /nfs/dbraw/zinc/35/24/12/747352412.db2.gz PSXDPFCAWUFRFT-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001089641510 747534472 /nfs/dbraw/zinc/53/44/72/747534472.db2.gz NVUIOGSSDROAOI-DLBZAZTESA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089658107 747607991 /nfs/dbraw/zinc/60/79/91/747607991.db2.gz IBRUMIYCMHVSSX-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089658107 747607992 /nfs/dbraw/zinc/60/79/92/747607992.db2.gz IBRUMIYCMHVSSX-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001089658107 747607993 /nfs/dbraw/zinc/60/79/93/747607993.db2.gz IBRUMIYCMHVSSX-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001089658107 747607995 /nfs/dbraw/zinc/60/79/95/747607995.db2.gz IBRUMIYCMHVSSX-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985177 747664818 /nfs/dbraw/zinc/66/48/18/747664818.db2.gz WTTFNWFPXBTFAI-GOEBONIOSA-N 2 1 317.433 1.580 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106910652 747741503 /nfs/dbraw/zinc/74/15/03/747741503.db2.gz IHCZMBRAASOQAO-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007615000 752239935 /nfs/dbraw/zinc/23/99/35/752239935.db2.gz ATWWPTYJODZTQD-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007615000 752239939 /nfs/dbraw/zinc/23/99/39/752239939.db2.gz ATWWPTYJODZTQD-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200121944 748140805 /nfs/dbraw/zinc/14/08/05/748140805.db2.gz AGGBRAMXVFDTQF-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031917576 748203545 /nfs/dbraw/zinc/20/35/45/748203545.db2.gz AUEZJQGOIOQMJO-GOSISDBHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704174 748323824 /nfs/dbraw/zinc/32/38/24/748323824.db2.gz IKRRNFZAFQXHJI-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001201229655 748437627 /nfs/dbraw/zinc/43/76/27/748437627.db2.gz FNRZRDHGMPACFR-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001004474534 748463860 /nfs/dbraw/zinc/46/38/60/748463860.db2.gz PJCVZUBKGAZQGV-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004603669 748581933 /nfs/dbraw/zinc/58/19/33/748581933.db2.gz IJKDVOXJNVFTKW-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864449 748614197 /nfs/dbraw/zinc/61/41/97/748614197.db2.gz XKDVSXUHFCXWBZ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001036240304 752288019 /nfs/dbraw/zinc/28/80/19/752288019.db2.gz NSSCBIKFCIGRGW-RHSMWYFYSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039286232 761911475 /nfs/dbraw/zinc/91/14/75/761911475.db2.gz JIOIKMFLUDMATF-KCBNDJSGSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995908234 749293432 /nfs/dbraw/zinc/29/34/32/749293432.db2.gz YIJHKXROALVARF-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508710 749431907 /nfs/dbraw/zinc/43/19/07/749431907.db2.gz NRDVMABLERSVPS-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095416150 749876708 /nfs/dbraw/zinc/87/67/08/749876708.db2.gz OBEYNZXKHPVCSK-IKGGRYGDSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095416150 749876712 /nfs/dbraw/zinc/87/67/12/749876712.db2.gz OBEYNZXKHPVCSK-IKGGRYGDSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825692 749935785 /nfs/dbraw/zinc/93/57/85/749935785.db2.gz HEMWJIRGHABPMO-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001033825692 749935788 /nfs/dbraw/zinc/93/57/88/749935788.db2.gz HEMWJIRGHABPMO-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825692 749935792 /nfs/dbraw/zinc/93/57/92/749935792.db2.gz HEMWJIRGHABPMO-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825692 749935796 /nfs/dbraw/zinc/93/57/96/749935796.db2.gz HEMWJIRGHABPMO-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005391616 749960712 /nfs/dbraw/zinc/96/07/12/749960712.db2.gz SISWXJCJPGEVCX-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668052 750124763 /nfs/dbraw/zinc/12/47/63/750124763.db2.gz JVENFDKZXPKARC-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668052 750124765 /nfs/dbraw/zinc/12/47/65/750124765.db2.gz JVENFDKZXPKARC-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609303 750233788 /nfs/dbraw/zinc/23/37/88/750233788.db2.gz MWMJUHHABAJXTB-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609303 750233791 /nfs/dbraw/zinc/23/37/91/750233791.db2.gz MWMJUHHABAJXTB-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609303 750233795 /nfs/dbraw/zinc/23/37/95/750233795.db2.gz MWMJUHHABAJXTB-ZHALLVOQSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001039437369 762031889 /nfs/dbraw/zinc/03/18/89/762031889.db2.gz ILQDSCZUTIQJJD-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039437369 762031900 /nfs/dbraw/zinc/03/19/00/762031900.db2.gz ILQDSCZUTIQJJD-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001039437369 762031909 /nfs/dbraw/zinc/03/19/09/762031909.db2.gz ILQDSCZUTIQJJD-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001039447837 762039894 /nfs/dbraw/zinc/03/98/94/762039894.db2.gz LRTQRZJTKHPCMT-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474630 762064280 /nfs/dbraw/zinc/06/42/80/762064280.db2.gz RXIBWQYIOKKXQY-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001039474630 762064291 /nfs/dbraw/zinc/06/42/91/762064291.db2.gz RXIBWQYIOKKXQY-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864132 750747926 /nfs/dbraw/zinc/74/79/26/750747926.db2.gz ZQBOTVQPWHQFFX-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001034754117 750806525 /nfs/dbraw/zinc/80/65/25/750806525.db2.gz SGHKRVFEUJUWGI-VQHPVUNQSA-N 2 1 303.450 1.654 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001114606491 750829936 /nfs/dbraw/zinc/82/99/36/750829936.db2.gz GQKRYYYNMJCVBE-MLHJIOFPSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001035186880 751287454 /nfs/dbraw/zinc/28/74/54/751287454.db2.gz MQTLIBLXKYBXRL-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186880 751287458 /nfs/dbraw/zinc/28/74/58/751287458.db2.gz MQTLIBLXKYBXRL-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001035186880 751287463 /nfs/dbraw/zinc/28/74/63/751287463.db2.gz MQTLIBLXKYBXRL-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035245782 751326878 /nfs/dbraw/zinc/32/68/78/751326878.db2.gz FGYSLVWOWXLZKY-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035245782 751326882 /nfs/dbraw/zinc/32/68/82/751326882.db2.gz FGYSLVWOWXLZKY-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035245782 751326887 /nfs/dbraw/zinc/32/68/87/751326887.db2.gz FGYSLVWOWXLZKY-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181270 753581219 /nfs/dbraw/zinc/58/12/19/753581219.db2.gz UNRYMXGVWFALIV-KRWDZBQOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078682069 754299436 /nfs/dbraw/zinc/29/94/36/754299436.db2.gz DILRFEJFPPTKNK-KGLIPLIRSA-N 2 1 322.840 1.961 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038628380 755345968 /nfs/dbraw/zinc/34/59/68/755345968.db2.gz PWPAVUSHBBANHR-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001038628380 755345971 /nfs/dbraw/zinc/34/59/71/755345971.db2.gz PWPAVUSHBBANHR-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014436198 755734375 /nfs/dbraw/zinc/73/43/75/755734375.db2.gz PAVQWSGBUPATGB-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014436198 755734378 /nfs/dbraw/zinc/73/43/78/755734378.db2.gz PAVQWSGBUPATGB-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014436198 755734381 /nfs/dbraw/zinc/73/43/81/755734381.db2.gz PAVQWSGBUPATGB-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014436198 755734384 /nfs/dbraw/zinc/73/43/84/755734384.db2.gz PAVQWSGBUPATGB-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001169464320 762450931 /nfs/dbraw/zinc/45/09/31/762450931.db2.gz MVIRDIWVJHNAIG-UHFFFAOYSA-N 2 1 319.796 1.729 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040265276 762468563 /nfs/dbraw/zinc/46/85/63/762468563.db2.gz XPXHICIUYKNIQZ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040265276 762468564 /nfs/dbraw/zinc/46/85/64/762468564.db2.gz XPXHICIUYKNIQZ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040265276 762468566 /nfs/dbraw/zinc/46/85/66/762468566.db2.gz XPXHICIUYKNIQZ-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254780 756874752 /nfs/dbraw/zinc/87/47/52/756874752.db2.gz KKHKOWGUMXPKHH-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254780 756874758 /nfs/dbraw/zinc/87/47/58/756874758.db2.gz KKHKOWGUMXPKHH-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254780 756874764 /nfs/dbraw/zinc/87/47/64/756874764.db2.gz KKHKOWGUMXPKHH-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001082944220 756972198 /nfs/dbraw/zinc/97/21/98/756972198.db2.gz JYONPNNLEWJKIV-DJIMGWMZSA-N 2 1 301.434 1.912 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016611858 757203368 /nfs/dbraw/zinc/20/33/68/757203368.db2.gz GTVGJMLSDZETJA-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001016818984 757378432 /nfs/dbraw/zinc/37/84/32/757378432.db2.gz ICVQCDIKCJINKB-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001016826984 757387030 /nfs/dbraw/zinc/38/70/30/757387030.db2.gz UJEBVBNDGHPTTO-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001016830797 757390526 /nfs/dbraw/zinc/39/05/26/757390526.db2.gz VYVLJIASFLHXSP-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422386 757542503 /nfs/dbraw/zinc/54/25/03/757542503.db2.gz XBZKEHWDNBBAFJ-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422386 757542504 /nfs/dbraw/zinc/54/25/04/757542504.db2.gz XBZKEHWDNBBAFJ-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422386 757542507 /nfs/dbraw/zinc/54/25/07/757542507.db2.gz XBZKEHWDNBBAFJ-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040495663 762562261 /nfs/dbraw/zinc/56/22/61/762562261.db2.gz AGHHRNDRKMZIJF-GOSISDBHSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084599148 757692666 /nfs/dbraw/zinc/69/26/66/757692666.db2.gz QYDHQVVVIVDHTR-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084599148 757692668 /nfs/dbraw/zinc/69/26/68/757692668.db2.gz QYDHQVVVIVDHTR-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599148 757692671 /nfs/dbraw/zinc/69/26/71/757692671.db2.gz QYDHQVVVIVDHTR-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599148 757692676 /nfs/dbraw/zinc/69/26/76/757692676.db2.gz QYDHQVVVIVDHTR-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040526953 762577864 /nfs/dbraw/zinc/57/78/64/762577864.db2.gz DDCXOTDUBSLTSR-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040526953 762577870 /nfs/dbraw/zinc/57/78/70/762577870.db2.gz DDCXOTDUBSLTSR-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040526953 762577877 /nfs/dbraw/zinc/57/78/77/762577877.db2.gz DDCXOTDUBSLTSR-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052872295 757909588 /nfs/dbraw/zinc/90/95/88/757909588.db2.gz AWIAFOYPYOEICL-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052872295 757909593 /nfs/dbraw/zinc/90/95/93/757909593.db2.gz AWIAFOYPYOEICL-OAHLLOKOSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852896 757983322 /nfs/dbraw/zinc/98/33/22/757983322.db2.gz RQYKWDNSFHEHHI-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852896 757983326 /nfs/dbraw/zinc/98/33/26/757983326.db2.gz RQYKWDNSFHEHHI-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852896 757983330 /nfs/dbraw/zinc/98/33/30/757983330.db2.gz RQYKWDNSFHEHHI-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075114 758202040 /nfs/dbraw/zinc/20/20/40/758202040.db2.gz RDLULGIOIAVLDA-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075114 758202045 /nfs/dbraw/zinc/20/20/45/758202045.db2.gz RDLULGIOIAVLDA-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075114 758202053 /nfs/dbraw/zinc/20/20/53/758202053.db2.gz RDLULGIOIAVLDA-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001053582163 758593633 /nfs/dbraw/zinc/59/36/33/758593633.db2.gz ALPNKHJQRCSUIH-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054099105 759163915 /nfs/dbraw/zinc/16/39/15/759163915.db2.gz AQDGPCQXLJDHDV-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099105 759163917 /nfs/dbraw/zinc/16/39/17/759163917.db2.gz AQDGPCQXLJDHDV-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099105 759163925 /nfs/dbraw/zinc/16/39/25/759163925.db2.gz AQDGPCQXLJDHDV-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227827 759317412 /nfs/dbraw/zinc/31/74/12/759317412.db2.gz KXCNGBCHULWXMD-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227827 759317422 /nfs/dbraw/zinc/31/74/22/759317422.db2.gz KXCNGBCHULWXMD-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227827 759317431 /nfs/dbraw/zinc/31/74/31/759317431.db2.gz KXCNGBCHULWXMD-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207747 760124733 /nfs/dbraw/zinc/12/47/33/760124733.db2.gz QWUPYABWLHOSIF-SJLPKXTDSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001108207747 760124739 /nfs/dbraw/zinc/12/47/39/760124739.db2.gz QWUPYABWLHOSIF-SJLPKXTDSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108216008 760416612 /nfs/dbraw/zinc/41/66/12/760416612.db2.gz PMFUOOLLADVOIU-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108216008 760416608 /nfs/dbraw/zinc/41/66/08/760416608.db2.gz PMFUOOLLADVOIU-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108216008 760416621 /nfs/dbraw/zinc/41/66/21/760416621.db2.gz PMFUOOLLADVOIU-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001020250831 760722657 /nfs/dbraw/zinc/72/26/57/760722657.db2.gz TZCIYLFNSCKGHB-YOTSKQKMSA-N 2 1 303.450 1.367 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001020250831 760722666 /nfs/dbraw/zinc/72/26/66/760722666.db2.gz TZCIYLFNSCKGHB-YOTSKQKMSA-N 2 1 303.450 1.367 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC)C2)CC1 ZINC001046849561 767980647 /nfs/dbraw/zinc/98/06/47/767980647.db2.gz HHKRBZIDZKHSBS-SFHVURJKSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001046850237 767982706 /nfs/dbraw/zinc/98/27/06/767982706.db2.gz PYRTWKPWOMHMDL-QAPCUYQASA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001046850583 767983468 /nfs/dbraw/zinc/98/34/68/767983468.db2.gz WYCACUPTPLVNJP-APWZRJJASA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038901830 761526690 /nfs/dbraw/zinc/52/66/90/761526690.db2.gz AKRLJSOXPISPNZ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001038901830 761526693 /nfs/dbraw/zinc/52/66/93/761526693.db2.gz AKRLJSOXPISPNZ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038901830 761526698 /nfs/dbraw/zinc/52/66/98/761526698.db2.gz AKRLJSOXPISPNZ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001038901830 761526703 /nfs/dbraw/zinc/52/67/03/761526703.db2.gz AKRLJSOXPISPNZ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001039006759 761639861 /nfs/dbraw/zinc/63/98/61/761639861.db2.gz OGNWGIXEZGUBQC-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001039006759 761639867 /nfs/dbraw/zinc/63/98/67/761639867.db2.gz OGNWGIXEZGUBQC-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001039006759 761639873 /nfs/dbraw/zinc/63/98/73/761639873.db2.gz OGNWGIXEZGUBQC-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001039006759 761639877 /nfs/dbraw/zinc/63/98/77/761639877.db2.gz OGNWGIXEZGUBQC-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108287275 761776348 /nfs/dbraw/zinc/77/63/48/761776348.db2.gz PFQXMNDAOHYNCA-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001324238 762761740 /nfs/dbraw/zinc/76/17/40/762761740.db2.gz GUQFTTKYEWSVKM-UHFFFAOYSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001041139387 762833785 /nfs/dbraw/zinc/83/37/85/762833785.db2.gz GESGOSBAJPSJCT-HOCLYGCPSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041139387 762833792 /nfs/dbraw/zinc/83/37/92/762833792.db2.gz GESGOSBAJPSJCT-HOCLYGCPSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041139387 762833796 /nfs/dbraw/zinc/83/37/96/762833796.db2.gz GESGOSBAJPSJCT-HOCLYGCPSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041139387 762833801 /nfs/dbraw/zinc/83/38/01/762833801.db2.gz GESGOSBAJPSJCT-HOCLYGCPSA-N 2 1 311.857 1.758 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041342623 762967204 /nfs/dbraw/zinc/96/72/04/762967204.db2.gz FJXYSLVPGKUXHM-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342623 762967211 /nfs/dbraw/zinc/96/72/11/762967211.db2.gz FJXYSLVPGKUXHM-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342623 762967216 /nfs/dbraw/zinc/96/72/16/762967216.db2.gz FJXYSLVPGKUXHM-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041358797 762979838 /nfs/dbraw/zinc/97/98/38/762979838.db2.gz QWZOBXMTBXSRDR-FUHWJXTLSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050047417 763060399 /nfs/dbraw/zinc/06/03/99/763060399.db2.gz YXYCYLFNOONNSP-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047417 763060403 /nfs/dbraw/zinc/06/04/03/763060403.db2.gz YXYCYLFNOONNSP-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047417 763060407 /nfs/dbraw/zinc/06/04/07/763060407.db2.gz YXYCYLFNOONNSP-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046926805 768122910 /nfs/dbraw/zinc/12/29/10/768122910.db2.gz WDVONHBEPZMZMO-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926805 768122912 /nfs/dbraw/zinc/12/29/12/768122912.db2.gz WDVONHBEPZMZMO-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926805 768122917 /nfs/dbraw/zinc/12/29/17/768122917.db2.gz WDVONHBEPZMZMO-KBPBESRZSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050460581 763622455 /nfs/dbraw/zinc/62/24/55/763622455.db2.gz WVWHWJLZIWMUFS-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001050551107 763745256 /nfs/dbraw/zinc/74/52/56/763745256.db2.gz RKPRFTKQVJHJSS-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042215875 763779365 /nfs/dbraw/zinc/77/93/65/763779365.db2.gz IUYDGNADFIQKCC-RDJZCZTQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042271040 763846990 /nfs/dbraw/zinc/84/69/90/763846990.db2.gz VUZHVNCIPPVBNB-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042271040 763846995 /nfs/dbraw/zinc/84/69/95/763846995.db2.gz VUZHVNCIPPVBNB-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050726796 763966340 /nfs/dbraw/zinc/96/63/40/763966340.db2.gz DHOFFACKFXPHDW-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001042371109 763974920 /nfs/dbraw/zinc/97/49/20/763974920.db2.gz LNVZSIIHWPKMCP-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090437217 764401262 /nfs/dbraw/zinc/40/12/62/764401262.db2.gz ZQNPCXFRJFHVAE-JKSUJKDBSA-N 2 1 314.389 1.075 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567505 764410562 /nfs/dbraw/zinc/41/05/62/764410562.db2.gz SUVIAZADFKRMSA-HKUYNNGSSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001045475490 766332680 /nfs/dbraw/zinc/33/26/80/766332680.db2.gz IZBKMXPSEFVWDS-IAGOWNOFSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045686674 766504739 /nfs/dbraw/zinc/50/47/39/766504739.db2.gz ROJSDPBDUIFTMS-JKSUJKDBSA-N 2 1 321.465 1.111 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccccc1C#N)C1CCC1 ZINC001129532180 766919186 /nfs/dbraw/zinc/91/91/86/766919186.db2.gz UCEZJGCAOVJXAN-UHFFFAOYSA-N 2 1 300.406 1.248 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105925 768632731 /nfs/dbraw/zinc/63/27/31/768632731.db2.gz OLVVPBGARLBANK-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132105925 768632737 /nfs/dbraw/zinc/63/27/37/768632737.db2.gz OLVVPBGARLBANK-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132361221 768787111 /nfs/dbraw/zinc/78/71/11/768787111.db2.gz ZUWHRWRGJXIIMF-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132361221 768787117 /nfs/dbraw/zinc/78/71/17/768787117.db2.gz ZUWHRWRGJXIIMF-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132407113 768810892 /nfs/dbraw/zinc/81/08/92/768810892.db2.gz VEKQERVUVYTMQL-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132524389 768945953 /nfs/dbraw/zinc/94/59/53/768945953.db2.gz GQFPROOJZHRCIV-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132937693 769334492 /nfs/dbraw/zinc/33/44/92/769334492.db2.gz NNTZAPDKZBMMHY-CVEARBPZSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001048545666 769519055 /nfs/dbraw/zinc/51/90/55/769519055.db2.gz HJBJLKXZSIKRPW-ACHSLPGTSA-N 2 1 322.412 1.940 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133318095 769706510 /nfs/dbraw/zinc/70/65/10/769706510.db2.gz FCCPLSKWBUVLDO-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827672 769953598 /nfs/dbraw/zinc/95/35/98/769953598.db2.gz ARBXUIYFOUJOPM-VVLHAWIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827672 769953608 /nfs/dbraw/zinc/95/36/08/769953608.db2.gz ARBXUIYFOUJOPM-VVLHAWIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048827672 769953617 /nfs/dbraw/zinc/95/36/17/769953617.db2.gz ARBXUIYFOUJOPM-VVLHAWIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830832 769957894 /nfs/dbraw/zinc/95/78/94/769957894.db2.gz XMJWJPQCNPUWSU-VVLHAWIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830832 769957901 /nfs/dbraw/zinc/95/79/01/769957901.db2.gz XMJWJPQCNPUWSU-VVLHAWIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830832 769957913 /nfs/dbraw/zinc/95/79/13/769957913.db2.gz XMJWJPQCNPUWSU-VVLHAWIVSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133831442 770315748 /nfs/dbraw/zinc/31/57/48/770315748.db2.gz OBGQNQBRLDCUOW-LLVKDONJSA-N 2 1 304.232 1.085 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049108433 770390342 /nfs/dbraw/zinc/39/03/42/770390342.db2.gz UNARZFUNAOWZJM-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049108433 770390350 /nfs/dbraw/zinc/39/03/50/770390350.db2.gz UNARZFUNAOWZJM-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049108433 770390361 /nfs/dbraw/zinc/39/03/61/770390361.db2.gz UNARZFUNAOWZJM-XDNAFOTISA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232094 770577810 /nfs/dbraw/zinc/57/78/10/770577810.db2.gz RFDQCJSTOVGNDN-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049505451 770942360 /nfs/dbraw/zinc/94/23/60/770942360.db2.gz OZWBGKUTZUXPKE-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049505451 770942368 /nfs/dbraw/zinc/94/23/68/770942368.db2.gz OZWBGKUTZUXPKE-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049505451 770942376 /nfs/dbraw/zinc/94/23/76/770942376.db2.gz OZWBGKUTZUXPKE-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049508519 770945822 /nfs/dbraw/zinc/94/58/22/770945822.db2.gz PHXJPMKVYJLDPB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049508519 770945829 /nfs/dbraw/zinc/94/58/29/770945829.db2.gz PHXJPMKVYJLDPB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049508519 770945835 /nfs/dbraw/zinc/94/58/35/770945835.db2.gz PHXJPMKVYJLDPB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001049673067 771073161 /nfs/dbraw/zinc/07/31/61/771073161.db2.gz PBQWIURTJFENTE-GVDBMIGSSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001049673067 771073166 /nfs/dbraw/zinc/07/31/66/771073166.db2.gz PBQWIURTJFENTE-GVDBMIGSSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049673067 771073173 /nfs/dbraw/zinc/07/31/73/771073173.db2.gz PBQWIURTJFENTE-GVDBMIGSSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001049673067 771073177 /nfs/dbraw/zinc/07/31/77/771073177.db2.gz PBQWIURTJFENTE-GVDBMIGSSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828430 771191648 /nfs/dbraw/zinc/19/16/48/771191648.db2.gz OFOHKIAFABVUCH-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/CCC ZINC001160197757 772083635 /nfs/dbraw/zinc/08/36/35/772083635.db2.gz FODVOZYGWSUGLJ-LXXRFIIISA-N 2 1 305.466 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C/CCC ZINC001160197757 772083642 /nfs/dbraw/zinc/08/36/42/772083642.db2.gz FODVOZYGWSUGLJ-LXXRFIIISA-N 2 1 305.466 1.926 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147647371 773190148 /nfs/dbraw/zinc/19/01/48/773190148.db2.gz SJHUECDHBGIIGU-OAHLLOKOSA-N 2 1 311.445 1.777 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661589 773274987 /nfs/dbraw/zinc/27/49/87/773274987.db2.gz AUGWZIURSNROKR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661589 773274993 /nfs/dbraw/zinc/27/49/93/773274993.db2.gz AUGWZIURSNROKR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661589 773274999 /nfs/dbraw/zinc/27/49/99/773274999.db2.gz AUGWZIURSNROKR-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001073891118 773504502 /nfs/dbraw/zinc/50/45/02/773504502.db2.gz LQWNDXZYPNRGHO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073891118 773504505 /nfs/dbraw/zinc/50/45/05/773504505.db2.gz LQWNDXZYPNRGHO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001073891118 773504506 /nfs/dbraw/zinc/50/45/06/773504506.db2.gz LQWNDXZYPNRGHO-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092199937 774002448 /nfs/dbraw/zinc/00/24/48/774002448.db2.gz WTYGWWYAYMZXEQ-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092199937 774002454 /nfs/dbraw/zinc/00/24/54/774002454.db2.gz WTYGWWYAYMZXEQ-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092199937 774002459 /nfs/dbraw/zinc/00/24/59/774002459.db2.gz WTYGWWYAYMZXEQ-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120975 774410415 /nfs/dbraw/zinc/41/04/15/774410415.db2.gz RTGPJIKPSJMWEI-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120975 774410418 /nfs/dbraw/zinc/41/04/18/774410418.db2.gz RTGPJIKPSJMWEI-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120975 774410421 /nfs/dbraw/zinc/41/04/21/774410421.db2.gz RTGPJIKPSJMWEI-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036735414 774429171 /nfs/dbraw/zinc/42/91/71/774429171.db2.gz JIZIUQOIQKNXJN-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036735930 774429274 /nfs/dbraw/zinc/42/92/74/774429274.db2.gz RWOXWFOEOVEKEF-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759029 774504122 /nfs/dbraw/zinc/50/41/22/774504122.db2.gz DKDZXWJVULQVNG-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036759480 774506390 /nfs/dbraw/zinc/50/63/90/774506390.db2.gz MQLOULCOUJRGHB-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098837851 774690728 /nfs/dbraw/zinc/69/07/28/774690728.db2.gz WMGIPYUQQZHZAM-LNLFQRSKSA-N 2 1 317.477 1.875 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099276163 774929038 /nfs/dbraw/zinc/92/90/38/774929038.db2.gz NUJVSLMGVKGFHI-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340332 774953026 /nfs/dbraw/zinc/95/30/26/774953026.db2.gz RQADVJDQJNHJRG-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340332 774953030 /nfs/dbraw/zinc/95/30/30/774953030.db2.gz RQADVJDQJNHJRG-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001171757685 776446477 /nfs/dbraw/zinc/44/64/77/776446477.db2.gz NCHFITNQDZSINQ-UHFFFAOYSA-N 2 1 319.424 1.615 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044706 777827743 /nfs/dbraw/zinc/82/77/43/777827743.db2.gz AZVFJUUSSZLVPV-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102044706 777827751 /nfs/dbraw/zinc/82/77/51/777827751.db2.gz AZVFJUUSSZLVPV-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102044706 777827764 /nfs/dbraw/zinc/82/77/64/777827764.db2.gz AZVFJUUSSZLVPV-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)Cc2cncn2C)[C@H](C)C1 ZINC001102513270 778179907 /nfs/dbraw/zinc/17/99/07/778179907.db2.gz CGERQACAMMSUFW-HUUCEWRRSA-N 2 1 304.438 1.613 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513768 778180296 /nfs/dbraw/zinc/18/02/96/778180296.db2.gz AJOUFLQQTCNOGD-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513768 778180298 /nfs/dbraw/zinc/18/02/98/778180298.db2.gz AJOUFLQQTCNOGD-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513768 778180303 /nfs/dbraw/zinc/18/03/03/778180303.db2.gz AJOUFLQQTCNOGD-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176686167 778212502 /nfs/dbraw/zinc/21/25/02/778212502.db2.gz RQKANDPEYJTJSR-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176686167 778212505 /nfs/dbraw/zinc/21/25/05/778212505.db2.gz RQKANDPEYJTJSR-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177089915 778442860 /nfs/dbraw/zinc/44/28/60/778442860.db2.gz WQPIUOCIAHNHFO-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177089915 778442865 /nfs/dbraw/zinc/44/28/65/778442865.db2.gz WQPIUOCIAHNHFO-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177477308 778635056 /nfs/dbraw/zinc/63/50/56/778635056.db2.gz DWUBEGUCUNHTLV-SFHVURJKSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103367869 778823462 /nfs/dbraw/zinc/82/34/62/778823462.db2.gz IBBBHDDPLYABKF-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103367869 778823471 /nfs/dbraw/zinc/82/34/71/778823471.db2.gz IBBBHDDPLYABKF-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103367869 778823481 /nfs/dbraw/zinc/82/34/81/778823481.db2.gz IBBBHDDPLYABKF-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2occc2C[NH+](C)C)C1 ZINC001103373366 778827265 /nfs/dbraw/zinc/82/72/65/778827265.db2.gz OFXARUFRESYTHB-HUUCEWRRSA-N 2 1 317.433 1.662 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179421326 779379054 /nfs/dbraw/zinc/37/90/54/779379054.db2.gz SHOUBTAUVGDGFG-LXZKKBNFSA-N 2 1 314.433 1.356 20 30 DDEDMP C=CCC[NH2+][C@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267151093 837420388 /nfs/dbraw/zinc/42/03/88/837420388.db2.gz KCKJVOJZBYFSAY-CQSZACIVSA-N 2 1 313.405 1.941 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266251751 835988494 /nfs/dbraw/zinc/98/84/94/835988494.db2.gz GGRAACZKEIRYLJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266251751 835988498 /nfs/dbraw/zinc/98/84/98/835988498.db2.gz GGRAACZKEIRYLJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266251751 835988506 /nfs/dbraw/zinc/98/85/06/835988506.db2.gz GGRAACZKEIRYLJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001266251751 835988511 /nfs/dbraw/zinc/98/85/11/835988511.db2.gz GGRAACZKEIRYLJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266456362 836283995 /nfs/dbraw/zinc/28/39/95/836283995.db2.gz VGXTUNVCLBWIOO-SJLPKXTDSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001266786249 836833158 /nfs/dbraw/zinc/83/31/58/836833158.db2.gz DJNKMVVFJDQOSD-YESZJQIVSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCC=C)C2)CC1 ZINC001267114304 837374829 /nfs/dbraw/zinc/37/48/29/837374829.db2.gz COUVEBVVURNQJU-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCOC(C)C)C1 ZINC001267768086 838916514 /nfs/dbraw/zinc/91/65/14/838916514.db2.gz SPNXNLXMGKUVHL-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCOC(C)C)C1 ZINC001267768086 838916522 /nfs/dbraw/zinc/91/65/22/838916522.db2.gz SPNXNLXMGKUVHL-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC(C)C)C1 ZINC001267768086 838916525 /nfs/dbraw/zinc/91/65/25/838916525.db2.gz SPNXNLXMGKUVHL-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC(C)C)C1 ZINC001267768086 838916532 /nfs/dbraw/zinc/91/65/32/838916532.db2.gz SPNXNLXMGKUVHL-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccns1 ZINC001267806076 839010360 /nfs/dbraw/zinc/01/03/60/839010360.db2.gz KHPUOBLKZKHKEH-HIFRSBDPSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1ccns1 ZINC001267806076 839010371 /nfs/dbraw/zinc/01/03/71/839010371.db2.gz KHPUOBLKZKHKEH-HIFRSBDPSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001268000775 839352086 /nfs/dbraw/zinc/35/20/86/839352086.db2.gz PDKDCJZKJABDOP-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)C ZINC001268067752 839641937 /nfs/dbraw/zinc/64/19/37/839641937.db2.gz HLSCBYABUIEVFT-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)C ZINC001268067752 839641942 /nfs/dbraw/zinc/64/19/42/839641942.db2.gz HLSCBYABUIEVFT-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCc2cncn2C)C1 ZINC001268114459 839706162 /nfs/dbraw/zinc/70/61/62/839706162.db2.gz QSYIOWMPCVOPEA-OAHLLOKOSA-N 2 1 320.437 1.136 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001272053845 844463282 /nfs/dbraw/zinc/46/32/82/844463282.db2.gz QCZHFHLEJSROPN-ZWKOTPCHSA-N 2 1 317.477 1.951 20 30 DDEDMP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001272092559 844593196 /nfs/dbraw/zinc/59/31/96/844593196.db2.gz FDNOXYMAMXMARI-HNNXBMFYSA-N 2 1 304.438 1.720 20 30 DDEDMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001272092559 844593203 /nfs/dbraw/zinc/59/32/03/844593203.db2.gz FDNOXYMAMXMARI-HNNXBMFYSA-N 2 1 304.438 1.720 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268916947 841001008 /nfs/dbraw/zinc/00/10/08/841001008.db2.gz IPIDYVXMHJAVCE-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001270248747 842423243 /nfs/dbraw/zinc/42/32/43/842423243.db2.gz JDSMWJSRADVUQR-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001270624454 842744375 /nfs/dbraw/zinc/74/43/75/842744375.db2.gz QCCODJJMYWAUFM-ZWKOTPCHSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001270624454 842744383 /nfs/dbraw/zinc/74/43/83/842744383.db2.gz QCCODJJMYWAUFM-ZWKOTPCHSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001270624454 842744389 /nfs/dbraw/zinc/74/43/89/842744389.db2.gz QCCODJJMYWAUFM-ZWKOTPCHSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001270624454 842744398 /nfs/dbraw/zinc/74/43/98/842744398.db2.gz QCCODJJMYWAUFM-ZWKOTPCHSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816953 847201368 /nfs/dbraw/zinc/20/13/68/847201368.db2.gz KRPIKLWEOBCFEJ-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816953 847201382 /nfs/dbraw/zinc/20/13/82/847201382.db2.gz KRPIKLWEOBCFEJ-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816953 847201397 /nfs/dbraw/zinc/20/13/97/847201397.db2.gz KRPIKLWEOBCFEJ-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001272770620 847401008 /nfs/dbraw/zinc/40/10/08/847401008.db2.gz WWMXPFHWNRRUCJ-ULQDDVLXSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CCN1CC2(CCC1=O)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272807592 847457456 /nfs/dbraw/zinc/45/74/56/847457456.db2.gz BVLAXHZTQVVERB-UHFFFAOYSA-N 2 1 312.417 1.332 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250045 848157082 /nfs/dbraw/zinc/15/70/82/848157082.db2.gz OPHCCXBYEXDJGM-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250045 848157087 /nfs/dbraw/zinc/15/70/87/848157087.db2.gz OPHCCXBYEXDJGM-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238688 848165420 /nfs/dbraw/zinc/16/54/20/848165420.db2.gz KZRVRTXEFWCMPD-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238688 848165412 /nfs/dbraw/zinc/16/54/12/848165412.db2.gz KZRVRTXEFWCMPD-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238688 848165427 /nfs/dbraw/zinc/16/54/27/848165427.db2.gz KZRVRTXEFWCMPD-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143493 848552510 /nfs/dbraw/zinc/55/25/10/848552510.db2.gz HTPASDZMXRCKCA-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)CC[N@H+](C)CC)CO2 ZINC001327412536 862153250 /nfs/dbraw/zinc/15/32/50/862153250.db2.gz MRHFVOTVXSLERP-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150371963 862199216 /nfs/dbraw/zinc/19/92/16/862199216.db2.gz NNGXDJVWGLHMEU-HOCLYGCPSA-N 2 1 320.437 1.514 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150371963 862199224 /nfs/dbraw/zinc/19/92/24/862199224.db2.gz NNGXDJVWGLHMEU-HOCLYGCPSA-N 2 1 320.437 1.514 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001273599724 851134281 /nfs/dbraw/zinc/13/42/81/851134281.db2.gz UYZUNKIGQHWWMU-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001150452330 862247722 /nfs/dbraw/zinc/24/77/22/862247722.db2.gz FMALGRWEYOPMTR-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCCCCC)C1 ZINC001150452330 862247743 /nfs/dbraw/zinc/24/77/43/862247743.db2.gz FMALGRWEYOPMTR-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150452330 862247763 /nfs/dbraw/zinc/24/77/63/862247763.db2.gz FMALGRWEYOPMTR-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCCCCC)C1 ZINC001150452330 862247784 /nfs/dbraw/zinc/24/77/84/862247784.db2.gz FMALGRWEYOPMTR-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C=C[C@](C)(O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274616196 852445983 /nfs/dbraw/zinc/44/59/83/852445983.db2.gz HEUWEONCMACCGN-ZWKOTPCHSA-N 2 1 323.481 1.190 20 30 DDEDMP CC#CC[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001274955735 852715114 /nfs/dbraw/zinc/71/51/14/852715114.db2.gz QPZBHDIOZKBCMR-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001274955735 852715120 /nfs/dbraw/zinc/71/51/20/852715120.db2.gz QPZBHDIOZKBCMR-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275327362 852984620 /nfs/dbraw/zinc/98/46/20/852984620.db2.gz OPKRLTPFXOTVLQ-CALCHBBNSA-N 2 1 316.424 1.908 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275327362 852984623 /nfs/dbraw/zinc/98/46/23/852984623.db2.gz OPKRLTPFXOTVLQ-CALCHBBNSA-N 2 1 316.424 1.908 20 30 DDEDMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275520928 853275373 /nfs/dbraw/zinc/27/53/73/853275373.db2.gz LDJGVLCFEHKBKB-AEFFLSMTSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275520928 853275383 /nfs/dbraw/zinc/27/53/83/853275383.db2.gz LDJGVLCFEHKBKB-AEFFLSMTSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001275520928 853275387 /nfs/dbraw/zinc/27/53/87/853275387.db2.gz LDJGVLCFEHKBKB-AEFFLSMTSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001275520928 853275395 /nfs/dbraw/zinc/27/53/95/853275395.db2.gz LDJGVLCFEHKBKB-AEFFLSMTSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001275520929 853275528 /nfs/dbraw/zinc/27/55/28/853275528.db2.gz LDJGVLCFEHKBKB-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001275520929 853275532 /nfs/dbraw/zinc/27/55/32/853275532.db2.gz LDJGVLCFEHKBKB-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275520929 853275537 /nfs/dbraw/zinc/27/55/37/853275537.db2.gz LDJGVLCFEHKBKB-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275520929 853275542 /nfs/dbraw/zinc/27/55/42/853275542.db2.gz LDJGVLCFEHKBKB-FUHWJXTLSA-N 2 1 313.445 1.569 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]C(C)C)C(C)C ZINC001276122826 854782943 /nfs/dbraw/zinc/78/29/43/854782943.db2.gz JTURTWILNWRIGS-SJORKVTESA-N 2 1 307.482 1.955 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]C(C)C)C(C)C ZINC001276122826 854782948 /nfs/dbraw/zinc/78/29/48/854782948.db2.gz JTURTWILNWRIGS-SJORKVTESA-N 2 1 307.482 1.955 20 30 DDEDMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001328035941 862652156 /nfs/dbraw/zinc/65/21/56/862652156.db2.gz VQPPUJOHDIQFLY-IRXDYDNUSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049563479 856981729 /nfs/dbraw/zinc/98/17/29/856981729.db2.gz BXFNKPSVHFSJSA-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563479 856981736 /nfs/dbraw/zinc/98/17/36/856981736.db2.gz BXFNKPSVHFSJSA-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563479 856981740 /nfs/dbraw/zinc/98/17/40/856981740.db2.gz BXFNKPSVHFSJSA-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073457224 858353372 /nfs/dbraw/zinc/35/33/72/858353372.db2.gz GXHCBOWCBMKPRO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073457224 858353375 /nfs/dbraw/zinc/35/33/75/858353375.db2.gz GXHCBOWCBMKPRO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073457224 858353380 /nfs/dbraw/zinc/35/33/80/858353380.db2.gz GXHCBOWCBMKPRO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177855 858703430 /nfs/dbraw/zinc/70/34/30/858703430.db2.gz KVKYOBKXNFLVMM-XOGYLQAWSA-N 2 1 305.466 1.921 20 30 DDEDMP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001326101973 861102756 /nfs/dbraw/zinc/10/27/56/861102756.db2.gz ADMHXUAFQKXRGN-MRXNPFEDSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)CCc1cncn1C ZINC001156676810 863254569 /nfs/dbraw/zinc/25/45/69/863254569.db2.gz HFDZACVWAOBGRK-OAHLLOKOSA-N 2 1 322.453 1.382 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001330186546 864137436 /nfs/dbraw/zinc/13/74/36/864137436.db2.gz ZBIYKOXIPBSWSE-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001330186546 864137443 /nfs/dbraw/zinc/13/74/43/864137443.db2.gz ZBIYKOXIPBSWSE-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001330186546 864137451 /nfs/dbraw/zinc/13/74/51/864137451.db2.gz ZBIYKOXIPBSWSE-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001330186546 864137457 /nfs/dbraw/zinc/13/74/57/864137457.db2.gz ZBIYKOXIPBSWSE-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001157965281 864312955 /nfs/dbraw/zinc/31/29/55/864312955.db2.gz XFCLIRUPYPTKNL-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001158421301 864643093 /nfs/dbraw/zinc/64/30/93/864643093.db2.gz UBXQSTPPKWRCFV-RHSMWYFYSA-N 2 1 314.433 1.494 20 30 DDEDMP C#CC[N@@H+](C[C@H]1CCOC1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001331158245 864910414 /nfs/dbraw/zinc/91/04/14/864910414.db2.gz NEUKGWCANVJLJU-DLBZAZTESA-N 2 1 306.450 1.459 20 30 DDEDMP Cc1ccc(CC#N)c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])[nH+]1 ZINC001159242670 865183736 /nfs/dbraw/zinc/18/37/36/865183736.db2.gz IINVXERDTMWWMN-FMKPAKJESA-N 2 1 304.394 1.593 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001160951769 866213401 /nfs/dbraw/zinc/21/34/01/866213401.db2.gz KVWGJYGCSJKVTK-NSHDSACASA-N 2 1 307.829 1.838 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001161043090 866313825 /nfs/dbraw/zinc/31/38/25/866313825.db2.gz XNKDTGCJWOXUSV-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001319869800 866359976 /nfs/dbraw/zinc/35/99/76/866359976.db2.gz QFHXVKMGQMAMBI-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001320998597 867191080 /nfs/dbraw/zinc/19/10/80/867191080.db2.gz PFNZQQOWPXVOAC-KYVUIXNKSA-N 2 1 312.417 1.414 20 30 DDEDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC001335413998 868281746 /nfs/dbraw/zinc/28/17/46/868281746.db2.gz UKQYWWOQMGLTCS-MRXNPFEDSA-N 2 1 311.470 1.625 20 30 DDEDMP C[C@@H]1CC[N@@H+](CCNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335445561 868304738 /nfs/dbraw/zinc/30/47/38/868304738.db2.gz TVABCKPHMGNQRJ-CQSZACIVSA-N 2 1 300.406 1.818 20 30 DDEDMP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001317032502 870140321 /nfs/dbraw/zinc/14/03/21/870140321.db2.gz FIOJNZPZRPQPOW-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001317032502 870140326 /nfs/dbraw/zinc/14/03/26/870140326.db2.gz FIOJNZPZRPQPOW-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317032502 870140331 /nfs/dbraw/zinc/14/03/31/870140331.db2.gz FIOJNZPZRPQPOW-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317032502 870140339 /nfs/dbraw/zinc/14/03/39/870140339.db2.gz FIOJNZPZRPQPOW-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001166709210 870181039 /nfs/dbraw/zinc/18/10/39/870181039.db2.gz YJMYBKFWIKLVPU-YOEHRIQHSA-N 2 1 314.433 1.352 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317422245 870800288 /nfs/dbraw/zinc/80/02/88/870800288.db2.gz GWEMZHQEVLUCBL-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317422245 870800297 /nfs/dbraw/zinc/80/02/97/870800297.db2.gz GWEMZHQEVLUCBL-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317422245 870800307 /nfs/dbraw/zinc/80/03/07/870800307.db2.gz GWEMZHQEVLUCBL-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)CCCn2ccnc2C)C1 ZINC001317806061 871529291 /nfs/dbraw/zinc/52/92/91/871529291.db2.gz QLYHOZSQSSKJJB-QGZVFWFLSA-N 2 1 316.449 1.823 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317806061 871529297 /nfs/dbraw/zinc/52/92/97/871529297.db2.gz QLYHOZSQSSKJJB-QGZVFWFLSA-N 2 1 316.449 1.823 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317806061 871529303 /nfs/dbraw/zinc/52/93/03/871529303.db2.gz QLYHOZSQSSKJJB-QGZVFWFLSA-N 2 1 316.449 1.823 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001316768651 871878877 /nfs/dbraw/zinc/87/88/77/871878877.db2.gz RKXDUWKBBSGPCU-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)CCC=C)C2)CC1 ZINC001318373836 871965865 /nfs/dbraw/zinc/96/58/65/871965865.db2.gz IMCZITBNUCCQMB-SJLPKXTDSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC ZINC001206165261 872103522 /nfs/dbraw/zinc/10/35/22/872103522.db2.gz NBSDXGRPGOJZIU-CABCVRRESA-N 2 1 306.381 1.968 20 30 DDEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cc1OC ZINC001206165261 872103532 /nfs/dbraw/zinc/10/35/32/872103532.db2.gz NBSDXGRPGOJZIU-CABCVRRESA-N 2 1 306.381 1.968 20 30 DDEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001316946778 872440102 /nfs/dbraw/zinc/44/01/02/872440102.db2.gz CTUQGHSKWMJLRI-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001316946778 872440108 /nfs/dbraw/zinc/44/01/08/872440108.db2.gz CTUQGHSKWMJLRI-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001316946778 872440115 /nfs/dbraw/zinc/44/01/15/872440115.db2.gz CTUQGHSKWMJLRI-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001316946778 872440125 /nfs/dbraw/zinc/44/01/25/872440125.db2.gz CTUQGHSKWMJLRI-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206929943 872790939 /nfs/dbraw/zinc/79/09/39/872790939.db2.gz KJAOBVDCLYQEOA-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001208604940 874305208 /nfs/dbraw/zinc/30/52/08/874305208.db2.gz MTHNWMXWQYODLF-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001208604940 874305222 /nfs/dbraw/zinc/30/52/22/874305222.db2.gz MTHNWMXWQYODLF-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001208604940 874305235 /nfs/dbraw/zinc/30/52/35/874305235.db2.gz MTHNWMXWQYODLF-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001378242439 874520887 /nfs/dbraw/zinc/52/08/87/874520887.db2.gz HIFMXYAIVVYQNK-RYUDHWBXSA-N 2 1 318.259 1.474 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001211256430 875728840 /nfs/dbraw/zinc/72/88/40/875728840.db2.gz GJGOFUBUKMUHEI-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378852199 875772785 /nfs/dbraw/zinc/77/27/85/875772785.db2.gz KQUWXZXZWIKGSB-WMLDXEAASA-N 2 1 314.433 1.446 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214610981 876415624 /nfs/dbraw/zinc/41/56/24/876415624.db2.gz JMYVOJBOZCFGEZ-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC#CC[NH+](C)C ZINC001221794749 880089036 /nfs/dbraw/zinc/08/90/36/880089036.db2.gz WHBVUKRWKVSHBZ-MRXNPFEDSA-N 2 1 308.470 1.505 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)COCC[NH+](C)C)C[C@@H]21 ZINC001223916255 881147707 /nfs/dbraw/zinc/14/77/07/881147707.db2.gz CRPLJJXTDHIZOH-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001230333992 884434788 /nfs/dbraw/zinc/43/47/88/884434788.db2.gz BLNVUFOFOIOLIY-IYBDPMFKSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277684725 886479733 /nfs/dbraw/zinc/47/97/33/886479733.db2.gz OKDUAFSEWJNMNL-NVXWUHKLSA-N 2 1 314.433 1.214 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)N2CC(CC#N)C2)CC1 ZINC001277797039 887179416 /nfs/dbraw/zinc/17/94/16/887179416.db2.gz OHRWRFHDRCDOOV-AEFFLSMTSA-N 2 1 316.449 1.165 20 30 DDEDMP CCCCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309706 889180346 /nfs/dbraw/zinc/18/03/46/889180346.db2.gz ONKWSZVGCWVOMU-UHFFFAOYSA-N 3 1 300.491 1.463 20 30 DDEDMP CCCCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236309706 889180355 /nfs/dbraw/zinc/18/03/55/889180355.db2.gz ONKWSZVGCWVOMU-UHFFFAOYSA-N 3 1 300.491 1.463 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001245998276 892315568 /nfs/dbraw/zinc/31/55/68/892315568.db2.gz FVZQCGCWSJQOOI-FUHWJXTLSA-N 2 1 320.433 1.711 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[NH2+]C3)CC2)cc1 ZINC001246131532 892427834 /nfs/dbraw/zinc/42/78/34/892427834.db2.gz ZQSDYLHZARVYDW-KRWDZBQOSA-N 2 1 312.417 1.504 20 30 DDEDMP C=CCOC(=O)[C@@H](N)CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246306102 892529945 /nfs/dbraw/zinc/52/99/45/892529945.db2.gz UBISWAFPZIIYBW-JONQDZQNSA-N 3 1 309.454 1.428 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001246306102 892529955 /nfs/dbraw/zinc/52/99/55/892529955.db2.gz UBISWAFPZIIYBW-JONQDZQNSA-N 3 1 309.454 1.428 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001246306102 892529965 /nfs/dbraw/zinc/52/99/65/892529965.db2.gz UBISWAFPZIIYBW-JONQDZQNSA-N 3 1 309.454 1.428 20 30 DDEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246314656 892536181 /nfs/dbraw/zinc/53/61/81/892536181.db2.gz YHRCKAYFHYNBPB-BQFCYCMXSA-N 3 1 323.481 1.725 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001278453027 892693689 /nfs/dbraw/zinc/69/36/89/892693689.db2.gz QESHWFACOLTPCI-SJLPKXTDSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001278453027 892693696 /nfs/dbraw/zinc/69/36/96/892693696.db2.gz QESHWFACOLTPCI-SJLPKXTDSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001278453027 892693700 /nfs/dbraw/zinc/69/37/00/892693700.db2.gz QESHWFACOLTPCI-SJLPKXTDSA-N 2 1 303.450 1.607 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001366308006 893112887 /nfs/dbraw/zinc/11/28/87/893112887.db2.gz DXKYKAQYNNTTQT-XJKSGUPXSA-N 2 1 300.406 1.247 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278572382 894299690 /nfs/dbraw/zinc/29/96/90/894299690.db2.gz QIHYSOFZPMOKHK-ZIAGYGMSSA-N 2 1 318.421 1.248 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001251885360 894866639 /nfs/dbraw/zinc/86/66/39/894866639.db2.gz TZKZBRPYLDYJRJ-BHIYHBOVSA-N 2 1 316.445 1.640 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001251885360 894866649 /nfs/dbraw/zinc/86/66/49/894866649.db2.gz TZKZBRPYLDYJRJ-BHIYHBOVSA-N 2 1 316.445 1.640 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001252552584 895272880 /nfs/dbraw/zinc/27/28/80/895272880.db2.gz KOZGOXFAXYWXAK-KURKYZTESA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252552584 895272892 /nfs/dbraw/zinc/27/28/92/895272892.db2.gz KOZGOXFAXYWXAK-KURKYZTESA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001252552584 895272905 /nfs/dbraw/zinc/27/29/05/895272905.db2.gz KOZGOXFAXYWXAK-KURKYZTESA-N 2 1 308.466 1.604 20 30 DDEDMP C=C(Br)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001367271862 896244124 /nfs/dbraw/zinc/24/41/24/896244124.db2.gz GPZBGMOOJPXDQL-CMPLNLGQSA-N 2 1 318.259 1.331 20 30 DDEDMP C=C(C[NH+]1CCCC1)c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001258091279 898049059 /nfs/dbraw/zinc/04/90/59/898049059.db2.gz LBVGUMIYWHHTDG-GJZGRUSLSA-N 2 1 320.437 1.830 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001264115107 900949704 /nfs/dbraw/zinc/94/97/04/900949704.db2.gz QTVBNJVCUCTVHT-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001264115107 900949727 /nfs/dbraw/zinc/94/97/27/900949727.db2.gz QTVBNJVCUCTVHT-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001265393507 901962503 /nfs/dbraw/zinc/96/25/03/901962503.db2.gz ZVMFOJDSXUJBER-INIZCTEOSA-N 2 1 302.422 1.385 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001265393507 901962519 /nfs/dbraw/zinc/96/25/19/901962519.db2.gz ZVMFOJDSXUJBER-INIZCTEOSA-N 2 1 302.422 1.385 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001265543802 902116330 /nfs/dbraw/zinc/11/63/30/902116330.db2.gz RLGYUJUKAJVYKH-XQQFMLRXSA-N 2 1 317.355 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001265543802 902116334 /nfs/dbraw/zinc/11/63/34/902116334.db2.gz RLGYUJUKAJVYKH-XQQFMLRXSA-N 2 1 317.355 1.273 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001370022912 902410095 /nfs/dbraw/zinc/41/00/95/902410095.db2.gz ZFARSBIDBVJRKV-HNNXBMFYSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001370022912 902410099 /nfs/dbraw/zinc/41/00/99/902410099.db2.gz ZFARSBIDBVJRKV-HNNXBMFYSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C#N)s1 ZINC001265971646 902684941 /nfs/dbraw/zinc/68/49/41/902684941.db2.gz VSCWASKPZALEJX-ZDUSSCGKSA-N 2 1 320.462 1.510 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)s1 ZINC001265971646 902684951 /nfs/dbraw/zinc/68/49/51/902684951.db2.gz VSCWASKPZALEJX-ZDUSSCGKSA-N 2 1 320.462 1.510 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001280434377 903673317 /nfs/dbraw/zinc/67/33/17/903673317.db2.gz SJAXQVWXJHISSX-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](CC)[NH+](C)C)CO2 ZINC001280960968 904246536 /nfs/dbraw/zinc/24/65/36/904246536.db2.gz AOMGDVKDGZQZIF-GJZGRUSLSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001281049746 904356557 /nfs/dbraw/zinc/35/65/57/904356557.db2.gz IJXYELCCMQAAEX-UHFFFAOYSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001281830941 905251725 /nfs/dbraw/zinc/25/17/25/905251725.db2.gz PPKDXCWNMQWGDZ-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281830941 905251729 /nfs/dbraw/zinc/25/17/29/905251729.db2.gz PPKDXCWNMQWGDZ-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001281830941 905251738 /nfs/dbraw/zinc/25/17/38/905251738.db2.gz PPKDXCWNMQWGDZ-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001281877084 905283216 /nfs/dbraw/zinc/28/32/16/905283216.db2.gz CQODLVUZQPWNMR-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001281893324 905294672 /nfs/dbraw/zinc/29/46/72/905294672.db2.gz OFTPJJKELFFBHG-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001281893324 905294691 /nfs/dbraw/zinc/29/46/91/905294691.db2.gz OFTPJJKELFFBHG-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282677718 905938750 /nfs/dbraw/zinc/93/87/50/905938750.db2.gz FTUZOUIXXFRLGR-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282677718 905938763 /nfs/dbraw/zinc/93/87/63/905938763.db2.gz FTUZOUIXXFRLGR-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001282677718 905938778 /nfs/dbraw/zinc/93/87/78/905938778.db2.gz FTUZOUIXXFRLGR-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001282677309 905942094 /nfs/dbraw/zinc/94/20/94/905942094.db2.gz ZTGHTNRDKRWCPV-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001282677309 905942105 /nfs/dbraw/zinc/94/21/05/905942105.db2.gz ZTGHTNRDKRWCPV-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001282677309 905942114 /nfs/dbraw/zinc/94/21/14/905942114.db2.gz ZTGHTNRDKRWCPV-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001283068797 906568376 /nfs/dbraw/zinc/56/83/76/906568376.db2.gz CZAOADDHUSPLHG-BZUAXINKSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001284087399 908455572 /nfs/dbraw/zinc/45/55/72/908455572.db2.gz OUXJBVUDKQJFEC-KBAYOESNSA-N 2 1 317.477 1.711 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001375091870 914924865 /nfs/dbraw/zinc/92/48/65/914924865.db2.gz YZIBPIGEGLGRJT-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001375091870 914924875 /nfs/dbraw/zinc/92/48/75/914924875.db2.gz YZIBPIGEGLGRJT-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001375091870 914924881 /nfs/dbraw/zinc/92/48/81/914924881.db2.gz YZIBPIGEGLGRJT-WMLDXEAASA-N 2 1 314.433 1.589 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001376781740 919358212 /nfs/dbraw/zinc/35/82/12/919358212.db2.gz ULHOCNCGUWTZLR-CYBMUJFWSA-N 2 1 311.389 1.358 20 30 DDEDMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000314803260 231134521 /nfs/dbraw/zinc/13/45/21/231134521.db2.gz MBNRZRXKHBDLDG-UHFFFAOYSA-N 2 1 300.406 1.770 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000081396284 192260015 /nfs/dbraw/zinc/26/00/15/192260015.db2.gz CRNWYPNPLQDQOO-CVEARBPZSA-N 2 1 309.454 1.132 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000081396284 192260018 /nfs/dbraw/zinc/26/00/18/192260018.db2.gz CRNWYPNPLQDQOO-CVEARBPZSA-N 2 1 309.454 1.132 20 30 DDEDMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600726413 358297824 /nfs/dbraw/zinc/29/78/24/358297824.db2.gz LFGAWQFZCFJJPB-INIZCTEOSA-N 2 1 308.470 1.048 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110594 359408441 /nfs/dbraw/zinc/40/84/41/359408441.db2.gz MFXHJOJOSYAPGE-OAHLLOKOSA-N 2 1 324.469 1.585 20 30 DDEDMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000362037527 285013353 /nfs/dbraw/zinc/01/33/53/285013353.db2.gz IYOGQTUWXKNHPX-XDNAFOTISA-N 2 1 321.465 1.927 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)CCc1ccccc1 ZINC000273349319 408164154 /nfs/dbraw/zinc/16/41/54/408164154.db2.gz PVQCHWRVYJXPSP-SJORKVTESA-N 2 1 318.465 1.369 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(N(C)C)n1 ZINC000269953966 408480290 /nfs/dbraw/zinc/48/02/90/408480290.db2.gz JXUBEAXAJBMOLS-AWEZNQCLSA-N 2 1 304.442 1.036 20 30 DDEDMP CCCNC(=[NH2+])NC[C@@H]1OCC[N@H+](CC)[C@H]1c1ccccc1 ZINC000284923681 409372224 /nfs/dbraw/zinc/37/22/24/409372224.db2.gz BZEZAFIQMARIHW-HOTGVXAUSA-N 2 1 304.438 1.763 20 30 DDEDMP CCCNC(=[NH2+])NC[C@@H]1OCC[N@@H+](CC)[C@H]1c1ccccc1 ZINC000284923681 409372234 /nfs/dbraw/zinc/37/22/34/409372234.db2.gz BZEZAFIQMARIHW-HOTGVXAUSA-N 2 1 304.438 1.763 20 30 DDEDMP CC[C@@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@]1(CC)CO ZINC000342142135 409564857 /nfs/dbraw/zinc/56/48/57/409564857.db2.gz YUEGRTCNBIFCIG-ROUUACIJSA-N 2 1 308.466 1.464 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000297534717 409928838 /nfs/dbraw/zinc/92/88/38/409928838.db2.gz DQILPHSGNJKNPC-AWEZNQCLSA-N 2 1 305.426 1.082 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000297534717 409928846 /nfs/dbraw/zinc/92/88/46/409928846.db2.gz DQILPHSGNJKNPC-AWEZNQCLSA-N 2 1 305.426 1.082 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1=O ZINC000652363759 422979314 /nfs/dbraw/zinc/97/93/14/422979314.db2.gz MYKQOKQZVCDOCI-FZKCQIBNSA-N 2 1 307.438 1.134 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291435 222196826 /nfs/dbraw/zinc/19/68/26/222196826.db2.gz HQHOPBONFHJBPA-HOCLYGCPSA-N 2 1 304.438 1.448 20 30 DDEDMP C#CCNC(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)=[NH+]C ZINC000262604452 222286533 /nfs/dbraw/zinc/28/65/33/222286533.db2.gz FNHSKVGCGNEKEQ-AWEZNQCLSA-N 2 1 304.463 1.758 20 30 DDEDMP C[C@H]1C[NH+]=C(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)N1 ZINC000262677286 222290185 /nfs/dbraw/zinc/29/01/85/222290185.db2.gz ULOARXRDKOFTRP-GOEBONIOSA-N 2 1 302.422 1.215 20 30 DDEDMP C[NH+]=C(NCc1cn2ccccc2n1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262740809 222290586 /nfs/dbraw/zinc/29/05/86/222290586.db2.gz DQNHMOLBWNAJSW-ZDUSSCGKSA-N 2 1 312.421 1.236 20 30 DDEDMP C[NH+]=C(NCc1cn2ccccc2n1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262740809 222290589 /nfs/dbraw/zinc/29/05/89/222290589.db2.gz DQNHMOLBWNAJSW-ZDUSSCGKSA-N 2 1 312.421 1.236 20 30 DDEDMP CC[NH+]=C(NC[C@@]1(C)CCOC1)N1CC[NH+](CC(C)C)CC1 ZINC000262756635 222292586 /nfs/dbraw/zinc/29/25/86/222292586.db2.gz DNKPZKDLMPZQNO-QGZVFWFLSA-N 2 1 310.486 1.652 20 30 DDEDMP C[C@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264106774 222318732 /nfs/dbraw/zinc/31/87/32/222318732.db2.gz PTEBDFRXMYAKLH-MRXNPFEDSA-N 2 1 318.465 1.807 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264116610 222320632 /nfs/dbraw/zinc/32/06/32/222320632.db2.gz SYQAIURPDPZELK-KBPBESRZSA-N 2 1 324.494 1.899 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1ccc(O)cc1 ZINC000267438649 222385203 /nfs/dbraw/zinc/38/52/03/222385203.db2.gz OPJFMKXHFMYFFI-HNNXBMFYSA-N 2 1 304.438 1.713 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC000267478058 222387002 /nfs/dbraw/zinc/38/70/02/222387002.db2.gz ZYBHWDRJLFCUBE-AWEZNQCLSA-N 2 1 319.409 1.526 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)CC1 ZINC000364472710 418778828 /nfs/dbraw/zinc/77/88/28/418778828.db2.gz OJSYFMNQMMZYMP-QGZVFWFLSA-N 2 1 315.465 1.497 20 30 DDEDMP Cn1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000364714610 418803044 /nfs/dbraw/zinc/80/30/44/418803044.db2.gz CBLDZOGEJBLDCE-DJIMGWMZSA-N 2 1 302.422 1.580 20 30 DDEDMP Cn1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C#N ZINC000364714610 418803046 /nfs/dbraw/zinc/80/30/46/418803046.db2.gz CBLDZOGEJBLDCE-DJIMGWMZSA-N 2 1 302.422 1.580 20 30 DDEDMP C=CCCOCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709474 422571530 /nfs/dbraw/zinc/57/15/30/422571530.db2.gz JQDHKMXBFTZLIH-SFHVURJKSA-N 2 1 304.434 1.806 20 30 DDEDMP C=CCCOCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709474 422571537 /nfs/dbraw/zinc/57/15/37/422571537.db2.gz JQDHKMXBFTZLIH-SFHVURJKSA-N 2 1 304.434 1.806 20 30 DDEDMP C=C(C)[C@@H](CO)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000649304064 423737210 /nfs/dbraw/zinc/73/72/10/423737210.db2.gz QDYLOUUECNVNLR-LJQANCHMSA-N 2 1 317.477 1.673 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nn1 ZINC000655939452 424694741 /nfs/dbraw/zinc/69/47/41/424694741.db2.gz HFRAGELPFWNUBO-IRXDYDNUSA-N 2 1 319.453 1.573 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[N@@H+]1C1CC1 ZINC000329925733 533898442 /nfs/dbraw/zinc/89/84/42/533898442.db2.gz VQRHKQMNAQLCCH-RDBSUJKOSA-N 2 1 317.437 1.574 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCc3[nH+]ccn3C2)C[N@H+]1C1CC1 ZINC000329925733 533898447 /nfs/dbraw/zinc/89/84/47/533898447.db2.gz VQRHKQMNAQLCCH-RDBSUJKOSA-N 2 1 317.437 1.574 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000491671458 526824599 /nfs/dbraw/zinc/82/45/99/526824599.db2.gz SBRDLRXXIFYCSX-UHFFFAOYSA-N 2 1 301.434 1.476 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000491704122 526983924 /nfs/dbraw/zinc/98/39/24/526983924.db2.gz YALAVAQMRXFPFF-OAHLLOKOSA-N 2 1 319.474 1.689 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000491704122 526983927 /nfs/dbraw/zinc/98/39/27/526983927.db2.gz YALAVAQMRXFPFF-OAHLLOKOSA-N 2 1 319.474 1.689 20 30 DDEDMP C#C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000491794756 527380666 /nfs/dbraw/zinc/38/06/66/527380666.db2.gz SKWGLGYXEHWLDM-SFHVURJKSA-N 2 1 319.493 1.957 20 30 DDEDMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424164270 527844427 /nfs/dbraw/zinc/84/44/27/527844427.db2.gz ZDUHSVMYXPZYRS-INIZCTEOSA-N 2 1 302.422 1.776 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978172642 696335617 /nfs/dbraw/zinc/33/56/17/696335617.db2.gz BZOKPUGPBQHMGQ-SMLCLMEVSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978172642 696335622 /nfs/dbraw/zinc/33/56/22/696335622.db2.gz BZOKPUGPBQHMGQ-SMLCLMEVSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978172642 696335625 /nfs/dbraw/zinc/33/56/25/696335625.db2.gz BZOKPUGPBQHMGQ-SMLCLMEVSA-N 2 1 303.450 1.034 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981915129 696967398 /nfs/dbraw/zinc/96/73/98/696967398.db2.gz WQPBRCGWDWYPKI-KRWDZBQOSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000982011480 697002401 /nfs/dbraw/zinc/00/24/01/697002401.db2.gz DZSYOSXRQABTHP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011480 697002404 /nfs/dbraw/zinc/00/24/04/697002404.db2.gz DZSYOSXRQABTHP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000982011480 697002407 /nfs/dbraw/zinc/00/24/07/697002407.db2.gz DZSYOSXRQABTHP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013463 697003693 /nfs/dbraw/zinc/00/36/93/697003693.db2.gz STLCKSMLMSRTHL-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013463 697003695 /nfs/dbraw/zinc/00/36/95/697003695.db2.gz STLCKSMLMSRTHL-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC000982013463 697003697 /nfs/dbraw/zinc/00/36/97/697003697.db2.gz STLCKSMLMSRTHL-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981152930 697020146 /nfs/dbraw/zinc/02/01/46/697020146.db2.gz PLYLMBLRHNWBBF-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152930 697020150 /nfs/dbraw/zinc/02/01/50/697020150.db2.gz PLYLMBLRHNWBBF-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152930 697020153 /nfs/dbraw/zinc/02/01/53/697020153.db2.gz PLYLMBLRHNWBBF-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC000982295761 697086370 /nfs/dbraw/zinc/08/63/70/697086370.db2.gz CZHJMJLBQNQGHY-CALCHBBNSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306048 697088536 /nfs/dbraw/zinc/08/85/36/697088536.db2.gz FQWLEHWJHGMTBW-AHCXZYCDSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306048 697088538 /nfs/dbraw/zinc/08/85/38/697088538.db2.gz FQWLEHWJHGMTBW-AHCXZYCDSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306048 697088540 /nfs/dbraw/zinc/08/85/40/697088540.db2.gz FQWLEHWJHGMTBW-AHCXZYCDSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@]2(C)C1 ZINC000982306048 697088542 /nfs/dbraw/zinc/08/85/42/697088542.db2.gz FQWLEHWJHGMTBW-AHCXZYCDSA-N 2 1 321.465 1.062 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000981509434 697114874 /nfs/dbraw/zinc/11/48/74/697114874.db2.gz RZAYZQUKUAOJJP-UHFFFAOYSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC000981509434 697114875 /nfs/dbraw/zinc/11/48/75/697114875.db2.gz RZAYZQUKUAOJJP-UHFFFAOYSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981509434 697114876 /nfs/dbraw/zinc/11/48/76/697114876.db2.gz RZAYZQUKUAOJJP-UHFFFAOYSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC000981509434 697114877 /nfs/dbraw/zinc/11/48/77/697114877.db2.gz RZAYZQUKUAOJJP-UHFFFAOYSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@]2(C)C1 ZINC000982374313 697116878 /nfs/dbraw/zinc/11/68/78/697116878.db2.gz PPPYJQUHHGKYSL-KDURUIRLSA-N 2 1 322.412 1.752 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@]2(C)C1 ZINC000982831220 697183500 /nfs/dbraw/zinc/18/35/00/697183500.db2.gz JFSSVJLEZCKTLO-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982831220 697183501 /nfs/dbraw/zinc/18/35/01/697183501.db2.gz JFSSVJLEZCKTLO-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC000982831220 697183502 /nfs/dbraw/zinc/18/35/02/697183502.db2.gz JFSSVJLEZCKTLO-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178571908 697426153 /nfs/dbraw/zinc/42/61/53/697426153.db2.gz JVZXPLFNSFONCR-HOCLYGCPSA-N 2 1 310.486 1.970 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000985454627 697513924 /nfs/dbraw/zinc/51/39/24/697513924.db2.gz QYRXSMIJLKNPJG-UHFFFAOYSA-N 2 1 319.474 1.979 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000985495748 697519826 /nfs/dbraw/zinc/51/98/26/697519826.db2.gz KJDASNOBPGYACM-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000985495748 697519829 /nfs/dbraw/zinc/51/98/29/697519829.db2.gz KJDASNOBPGYACM-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000985495748 697519832 /nfs/dbraw/zinc/51/98/32/697519832.db2.gz KJDASNOBPGYACM-DLBZAZTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000985684918 697555575 /nfs/dbraw/zinc/55/55/75/697555575.db2.gz BCKVHKIWCAQOFQ-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985684918 697555576 /nfs/dbraw/zinc/55/55/76/697555576.db2.gz BCKVHKIWCAQOFQ-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985684918 697555577 /nfs/dbraw/zinc/55/55/77/697555577.db2.gz BCKVHKIWCAQOFQ-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248829193 698381730 /nfs/dbraw/zinc/38/17/30/698381730.db2.gz DRFJHOOFSFVGDT-DLBZAZTESA-N 2 1 316.449 1.592 20 30 DDEDMP CCC[NH+]1CCC(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000303874759 698608490 /nfs/dbraw/zinc/60/84/90/698608490.db2.gz HHVJNYHYVYITMZ-MRXNPFEDSA-N 3 1 309.502 1.497 20 30 DDEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])NCCc2cccs2)CC1 ZINC000303973033 698612034 /nfs/dbraw/zinc/61/20/34/698612034.db2.gz GJYRUMKRSSEEOO-UHFFFAOYSA-N 2 1 323.510 1.223 20 30 DDEDMP CN1CCC[N@H+](CCCNC(=[NH2+])NCCc2cccs2)CC1 ZINC000303973033 698612037 /nfs/dbraw/zinc/61/20/37/698612037.db2.gz GJYRUMKRSSEEOO-UHFFFAOYSA-N 2 1 323.510 1.223 20 30 DDEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])NCCc2cccs2)CC1 ZINC000303973033 698612039 /nfs/dbraw/zinc/61/20/39/698612039.db2.gz GJYRUMKRSSEEOO-UHFFFAOYSA-N 2 1 323.510 1.223 20 30 DDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303984511 698612378 /nfs/dbraw/zinc/61/23/78/698612378.db2.gz SCACWFHBDUWJIT-AWEZNQCLSA-N 2 1 306.410 1.533 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989498033 698645653 /nfs/dbraw/zinc/64/56/53/698645653.db2.gz YDHXFHWWNAAKIK-UHFFFAOYSA-N 2 1 300.406 1.319 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000989498033 698645655 /nfs/dbraw/zinc/64/56/55/698645655.db2.gz YDHXFHWWNAAKIK-UHFFFAOYSA-N 2 1 300.406 1.319 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990616822 699109759 /nfs/dbraw/zinc/10/97/59/699109759.db2.gz SSQSWRMBBQLFEO-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990616822 699109762 /nfs/dbraw/zinc/10/97/62/699109762.db2.gz SSQSWRMBBQLFEO-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990616822 699109764 /nfs/dbraw/zinc/10/97/64/699109764.db2.gz SSQSWRMBBQLFEO-ZIFCJYIRSA-N 2 1 317.477 1.996 20 30 DDEDMP C#C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000847020990 703366786 /nfs/dbraw/zinc/36/67/86/703366786.db2.gz HDLBTLBQJTZKJH-SJLPKXTDSA-N 2 1 313.445 1.751 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876709247 705831265 /nfs/dbraw/zinc/83/12/65/705831265.db2.gz NCVHIUPQNQDHKD-CABCVRRESA-N 2 1 307.825 1.847 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC[NH+]1CCCCC1 ZINC000876713375 705833713 /nfs/dbraw/zinc/83/37/13/705833713.db2.gz IPIPBAYMLPVVFO-KRWDZBQOSA-N 2 1 312.417 1.347 20 30 DDEDMP C#CC[N@@H+](C)CCCNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000872208843 707329358 /nfs/dbraw/zinc/32/93/58/707329358.db2.gz HOJAGOAAKIUXTI-IBGZPJMESA-N 2 1 315.461 1.168 20 30 DDEDMP C#CC[NH+](C)CCCNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872208843 707329363 /nfs/dbraw/zinc/32/93/63/707329363.db2.gz HOJAGOAAKIUXTI-IBGZPJMESA-N 2 1 315.461 1.168 20 30 DDEDMP C#CC[NH+](C)CCCNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872208843 707329366 /nfs/dbraw/zinc/32/93/66/707329366.db2.gz HOJAGOAAKIUXTI-IBGZPJMESA-N 2 1 315.461 1.168 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc(C#N)c1 ZINC000865089429 706346023 /nfs/dbraw/zinc/34/60/23/706346023.db2.gz QVBCKAKBZUWRJE-HNNXBMFYSA-N 2 1 318.421 1.639 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900371637 709560690 /nfs/dbraw/zinc/56/06/90/709560690.db2.gz GCDYLGWUDFDWOX-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900371637 709560692 /nfs/dbraw/zinc/56/06/92/709560692.db2.gz GCDYLGWUDFDWOX-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000890370522 709842328 /nfs/dbraw/zinc/84/23/28/709842328.db2.gz AKIPEZCWSAMKEC-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000890370522 709842332 /nfs/dbraw/zinc/84/23/32/709842332.db2.gz AKIPEZCWSAMKEC-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000890370522 709842337 /nfs/dbraw/zinc/84/23/37/709842337.db2.gz AKIPEZCWSAMKEC-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000890370522 709842341 /nfs/dbraw/zinc/84/23/41/709842341.db2.gz AKIPEZCWSAMKEC-CVEARBPZSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000890371727 709843454 /nfs/dbraw/zinc/84/34/54/709843454.db2.gz BOUUEAWJHRFGLR-INIZCTEOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000890371727 709843460 /nfs/dbraw/zinc/84/34/60/709843460.db2.gz BOUUEAWJHRFGLR-INIZCTEOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000890371727 709843464 /nfs/dbraw/zinc/84/34/64/709843464.db2.gz BOUUEAWJHRFGLR-INIZCTEOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000890371727 709843466 /nfs/dbraw/zinc/84/34/66/709843466.db2.gz BOUUEAWJHRFGLR-INIZCTEOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000890371594 709843787 /nfs/dbraw/zinc/84/37/87/709843787.db2.gz YVKSTORUPBWHSC-DLBZAZTESA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000890371594 709843792 /nfs/dbraw/zinc/84/37/92/709843792.db2.gz YVKSTORUPBWHSC-DLBZAZTESA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000928649423 713250424 /nfs/dbraw/zinc/25/04/24/713250424.db2.gz KQTPGLQGMBRIMG-CQSZACIVSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000916874332 713471614 /nfs/dbraw/zinc/47/16/14/713471614.db2.gz VXQROXCPCNNURI-MRXNPFEDSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000919527713 713612360 /nfs/dbraw/zinc/61/23/60/713612360.db2.gz AAWJWHSIZWMXKZ-QGZVFWFLSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000921436430 713770573 /nfs/dbraw/zinc/77/05/73/713770573.db2.gz VHBYWHJNRNAVKY-WMLDXEAASA-N 2 1 318.465 1.208 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923491047 714375034 /nfs/dbraw/zinc/37/50/34/714375034.db2.gz HASJJEZCDWVWDB-BMFZPTHFSA-N 2 1 303.406 1.215 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000923560683 714404141 /nfs/dbraw/zinc/40/41/41/714404141.db2.gz FAXGEZPIJLGQEK-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000923560683 714404142 /nfs/dbraw/zinc/40/41/42/714404142.db2.gz FAXGEZPIJLGQEK-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940744724 716940523 /nfs/dbraw/zinc/94/05/23/716940523.db2.gz LAFNCIRIZCIRHU-HZPDHXFCSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971747 717055015 /nfs/dbraw/zinc/05/50/15/717055015.db2.gz BQOWUNLVJGRTSA-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971747 717055019 /nfs/dbraw/zinc/05/50/19/717055019.db2.gz BQOWUNLVJGRTSA-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971747 717055023 /nfs/dbraw/zinc/05/50/23/717055023.db2.gz BQOWUNLVJGRTSA-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000940971744 717055320 /nfs/dbraw/zinc/05/53/20/717055320.db2.gz BQOWUNLVJGRTSA-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971744 717055322 /nfs/dbraw/zinc/05/53/22/717055322.db2.gz BQOWUNLVJGRTSA-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000940971744 717055324 /nfs/dbraw/zinc/05/53/24/717055324.db2.gz BQOWUNLVJGRTSA-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941163518 717119383 /nfs/dbraw/zinc/11/93/83/717119383.db2.gz MDAHAXWAUQNMIR-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941163518 717119386 /nfs/dbraw/zinc/11/93/86/717119386.db2.gz MDAHAXWAUQNMIR-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941163518 717119387 /nfs/dbraw/zinc/11/93/87/717119387.db2.gz MDAHAXWAUQNMIR-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944153643 718262556 /nfs/dbraw/zinc/26/25/56/718262556.db2.gz IQTYKUUCBGGGLQ-OCCSQVGLSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944153643 718262559 /nfs/dbraw/zinc/26/25/59/718262559.db2.gz IQTYKUUCBGGGLQ-OCCSQVGLSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595172 718846816 /nfs/dbraw/zinc/84/68/16/718846816.db2.gz LXTDQCOFSJTGIO-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595172 718846821 /nfs/dbraw/zinc/84/68/21/718846821.db2.gz LXTDQCOFSJTGIO-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595172 718846826 /nfs/dbraw/zinc/84/68/26/718846826.db2.gz LXTDQCOFSJTGIO-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947505764 719191077 /nfs/dbraw/zinc/19/10/77/719191077.db2.gz DWYLAWBWGHZFLH-GOEBONIOSA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948270418 719426016 /nfs/dbraw/zinc/42/60/16/719426016.db2.gz ZMMRSKFWULCSFI-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948270418 719426019 /nfs/dbraw/zinc/42/60/19/719426019.db2.gz ZMMRSKFWULCSFI-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948270418 719426022 /nfs/dbraw/zinc/42/60/22/719426022.db2.gz ZMMRSKFWULCSFI-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948270418 719426025 /nfs/dbraw/zinc/42/60/25/719426025.db2.gz ZMMRSKFWULCSFI-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378033 719474345 /nfs/dbraw/zinc/47/43/45/719474345.db2.gz PLJLWZXCESJXFX-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1C#N ZINC001164684215 719617343 /nfs/dbraw/zinc/61/73/43/719617343.db2.gz NCFBSWVCKCOZGK-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1C#N ZINC001164684215 719617353 /nfs/dbraw/zinc/61/73/53/719617353.db2.gz NCFBSWVCKCOZGK-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@H]2C)CC1 ZINC000968681243 719734137 /nfs/dbraw/zinc/73/41/37/719734137.db2.gz HZAVDZSQIYXLJV-GDBMZVCRSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@H]2C)CC1 ZINC000968681243 719734143 /nfs/dbraw/zinc/73/41/43/719734143.db2.gz HZAVDZSQIYXLJV-GDBMZVCRSA-N 2 1 309.429 1.128 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856720 719826575 /nfs/dbraw/zinc/82/65/75/719826575.db2.gz NJXOOIRVGPJKBM-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949317013 720012656 /nfs/dbraw/zinc/01/26/56/720012656.db2.gz DOLYDGFOORIMPM-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949317013 720012660 /nfs/dbraw/zinc/01/26/60/720012660.db2.gz DOLYDGFOORIMPM-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000949317013 720012664 /nfs/dbraw/zinc/01/26/64/720012664.db2.gz DOLYDGFOORIMPM-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969835098 720526415 /nfs/dbraw/zinc/52/64/15/720526415.db2.gz CXRXZXQCAYSFJZ-MAUKXSAKSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001027633598 738493246 /nfs/dbraw/zinc/49/32/46/738493246.db2.gz ACAOTXWRPYSQGZ-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240925 732856231 /nfs/dbraw/zinc/85/62/31/732856231.db2.gz VZGWCHDXHYNKQJ-UHFFFAOYSA-N 2 1 307.482 1.864 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635034 733388668 /nfs/dbraw/zinc/38/86/68/733388668.db2.gz HLMYRKBXQHBESZ-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635034 733388671 /nfs/dbraw/zinc/38/86/71/733388671.db2.gz HLMYRKBXQHBESZ-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735134 733494955 /nfs/dbraw/zinc/49/49/55/733494955.db2.gz BTWLQGLMZJDCEE-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021735134 733494956 /nfs/dbraw/zinc/49/49/56/733494956.db2.gz BTWLQGLMZJDCEE-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022222431 734440022 /nfs/dbraw/zinc/44/00/22/734440022.db2.gz ZRNYUQMBIGXXSK-KSZLIROESA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001022222431 734440026 /nfs/dbraw/zinc/44/00/26/734440026.db2.gz ZRNYUQMBIGXXSK-KSZLIROESA-N 2 1 317.477 1.901 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111766734 734867338 /nfs/dbraw/zinc/86/73/38/734867338.db2.gz AGPWZANZHMWVQD-BQFCYCMXSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378371 734917185 /nfs/dbraw/zinc/91/71/85/734917185.db2.gz NXXPSULOFWELQP-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001023083968 735029688 /nfs/dbraw/zinc/02/96/88/735029688.db2.gz FRQWJUPETKHGSH-YESZJQIVSA-N 2 1 312.417 1.247 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413352 735218899 /nfs/dbraw/zinc/21/88/99/735218899.db2.gz DAQDXIRVQGCZAK-CVEARBPZSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023413352 735218902 /nfs/dbraw/zinc/21/89/02/735218902.db2.gz DAQDXIRVQGCZAK-CVEARBPZSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCN1CCCC[C@@H]1CNC(=O)c1occc1CN(C)C ZINC001024623759 735988680 /nfs/dbraw/zinc/98/86/80/735988680.db2.gz HSKAXMFRTVHACC-OAHLLOKOSA-N 2 1 303.406 1.559 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC=C)CC1 ZINC001024812444 736108258 /nfs/dbraw/zinc/10/82/58/736108258.db2.gz PEXKPOKNBFHQFE-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104680449 736509446 /nfs/dbraw/zinc/50/94/46/736509446.db2.gz QPLLXANFNNGMLD-GVDBMIGSSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026140200 737139797 /nfs/dbraw/zinc/13/97/97/737139797.db2.gz WSBGAQPINMTFKD-MTSZKFMLSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@@H]12 ZINC001026314944 737336825 /nfs/dbraw/zinc/33/68/25/737336825.db2.gz JTADOWMWJDEJRQ-RBSFLKMASA-N 2 1 322.840 1.771 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001026550589 737655430 /nfs/dbraw/zinc/65/54/30/737655430.db2.gz PYDLFSBPAFVNGV-FHERZECASA-N 2 1 316.449 1.957 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001026559288 737661481 /nfs/dbraw/zinc/66/14/81/737661481.db2.gz GOOLSJWADJPXHY-FHERZECASA-N 2 1 316.449 1.957 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504998 738356452 /nfs/dbraw/zinc/35/64/52/738356452.db2.gz IZFRCLZYPVZQOX-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041369670 739104207 /nfs/dbraw/zinc/10/42/07/739104207.db2.gz BGILALDVPGXDLL-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041369670 739104212 /nfs/dbraw/zinc/10/42/12/739104212.db2.gz BGILALDVPGXDLL-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041369670 739104214 /nfs/dbraw/zinc/10/42/14/739104214.db2.gz BGILALDVPGXDLL-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028259205 739246385 /nfs/dbraw/zinc/24/63/85/739246385.db2.gz KVGCHSKDXKHCKH-OAHLLOKOSA-N 2 1 323.400 1.485 20 30 DDEDMP CC#CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028259205 739246389 /nfs/dbraw/zinc/24/63/89/739246389.db2.gz KVGCHSKDXKHCKH-OAHLLOKOSA-N 2 1 323.400 1.485 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028268513 739257467 /nfs/dbraw/zinc/25/74/67/739257467.db2.gz VUEYNYQNANXKTO-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028268513 739257469 /nfs/dbraw/zinc/25/74/69/739257469.db2.gz VUEYNYQNANXKTO-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(=C)C)CC1 ZINC001028334231 739370449 /nfs/dbraw/zinc/37/04/49/739370449.db2.gz YJBUDYXTTOAAKH-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845107 740104787 /nfs/dbraw/zinc/10/47/87/740104787.db2.gz GFLKCFHRAGZXBR-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845107 740104789 /nfs/dbraw/zinc/10/47/89/740104789.db2.gz GFLKCFHRAGZXBR-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845107 740104791 /nfs/dbraw/zinc/10/47/91/740104791.db2.gz GFLKCFHRAGZXBR-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028915778 740170602 /nfs/dbraw/zinc/17/06/02/740170602.db2.gz FLBOHWSJDJQHAZ-MRXNPFEDSA-N 2 1 305.466 1.733 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001035492569 751575053 /nfs/dbraw/zinc/57/50/53/751575053.db2.gz NPYXZMUZBKSFIU-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040116291 741324030 /nfs/dbraw/zinc/32/40/30/741324030.db2.gz VLFYKTFYQGOUKE-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040116291 741324033 /nfs/dbraw/zinc/32/40/33/741324033.db2.gz VLFYKTFYQGOUKE-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040116291 741324035 /nfs/dbraw/zinc/32/40/35/741324035.db2.gz VLFYKTFYQGOUKE-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107982061 751641854 /nfs/dbraw/zinc/64/18/54/751641854.db2.gz OFYUTJPWLZHKKN-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107982061 751641858 /nfs/dbraw/zinc/64/18/58/751641858.db2.gz OFYUTJPWLZHKKN-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001107982177 751647721 /nfs/dbraw/zinc/64/77/21/751647721.db2.gz QLVCEDOSSOTHSR-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107982177 751647725 /nfs/dbraw/zinc/64/77/25/751647725.db2.gz QLVCEDOSSOTHSR-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107982177 751647727 /nfs/dbraw/zinc/64/77/27/751647727.db2.gz QLVCEDOSSOTHSR-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107982177 751647731 /nfs/dbraw/zinc/64/77/31/751647731.db2.gz QLVCEDOSSOTHSR-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076407687 742710073 /nfs/dbraw/zinc/71/00/73/742710073.db2.gz RMBNTSMNAQNODR-DOTOQJQBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165128 743796636 /nfs/dbraw/zinc/79/66/36/743796636.db2.gz OEIRPHYCLSLHBI-JFIYKMOQSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898547 744352175 /nfs/dbraw/zinc/35/21/75/744352175.db2.gz KHJUCFNMWJRJCH-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1C ZINC001088898547 744352181 /nfs/dbraw/zinc/35/21/81/744352181.db2.gz KHJUCFNMWJRJCH-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1C ZINC001088898547 744352185 /nfs/dbraw/zinc/35/21/85/744352185.db2.gz KHJUCFNMWJRJCH-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1C ZINC001088898547 744352189 /nfs/dbraw/zinc/35/21/89/744352189.db2.gz KHJUCFNMWJRJCH-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)[C@@H]2C)CC1 ZINC001089059501 744479350 /nfs/dbraw/zinc/47/93/50/744479350.db2.gz ORFGMMJVPBMIHE-JZXOWHBKSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985402 744542868 /nfs/dbraw/zinc/54/28/68/744542868.db2.gz UDPJTPVDFYQSPT-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985402 744542871 /nfs/dbraw/zinc/54/28/71/744542871.db2.gz UDPJTPVDFYQSPT-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985402 744542873 /nfs/dbraw/zinc/54/28/73/744542873.db2.gz UDPJTPVDFYQSPT-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992166070 744651499 /nfs/dbraw/zinc/65/14/99/744651499.db2.gz GGERFUSJMWIGEP-MAUKXSAKSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992166070 744651501 /nfs/dbraw/zinc/65/15/01/744651501.db2.gz GGERFUSJMWIGEP-MAUKXSAKSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992166070 744651503 /nfs/dbraw/zinc/65/15/03/744651503.db2.gz GGERFUSJMWIGEP-MAUKXSAKSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992283744 744748878 /nfs/dbraw/zinc/74/88/78/744748878.db2.gz LBDFKVNQWDOONQ-HKUYNNGSSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCC=C)C1 ZINC001190721948 745306155 /nfs/dbraw/zinc/30/61/55/745306155.db2.gz CLIGOHIRTKBAIK-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCC=C)C1 ZINC001190721948 745306161 /nfs/dbraw/zinc/30/61/61/745306161.db2.gz CLIGOHIRTKBAIK-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC=C)C1 ZINC001190721948 745306167 /nfs/dbraw/zinc/30/61/67/745306167.db2.gz CLIGOHIRTKBAIK-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCC=C)C1 ZINC001190721948 745306175 /nfs/dbraw/zinc/30/61/75/745306175.db2.gz CLIGOHIRTKBAIK-IRXDYDNUSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001192679957 745860565 /nfs/dbraw/zinc/86/05/65/745860565.db2.gz JVFYTTKINRIZPU-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192867022 745908423 /nfs/dbraw/zinc/90/84/23/745908423.db2.gz PIBDZIGMRQXTMD-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192867022 745908428 /nfs/dbraw/zinc/90/84/28/745908428.db2.gz PIBDZIGMRQXTMD-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382239 746083070 /nfs/dbraw/zinc/08/30/70/746083070.db2.gz GNUKXZPGHQIKQR-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993531683 746200498 /nfs/dbraw/zinc/20/04/98/746200498.db2.gz UMTBGBUHGQLTDI-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993531683 746200501 /nfs/dbraw/zinc/20/05/01/746200501.db2.gz UMTBGBUHGQLTDI-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993803956 746328874 /nfs/dbraw/zinc/32/88/74/746328874.db2.gz JYBAIPYXIFLRQQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993803956 746328878 /nfs/dbraw/zinc/32/88/78/746328878.db2.gz JYBAIPYXIFLRQQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993803956 746328883 /nfs/dbraw/zinc/32/88/83/746328883.db2.gz JYBAIPYXIFLRQQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993803956 746328888 /nfs/dbraw/zinc/32/88/88/746328888.db2.gz JYBAIPYXIFLRQQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001031580200 747097339 /nfs/dbraw/zinc/09/73/39/747097339.db2.gz QMUVQCRJEROIHR-QGZVFWFLSA-N 2 1 312.417 1.200 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001003494834 747250929 /nfs/dbraw/zinc/25/09/29/747250929.db2.gz FYNOAFJBZFCFJP-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001003494834 747250933 /nfs/dbraw/zinc/25/09/33/747250933.db2.gz FYNOAFJBZFCFJP-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820107 747970060 /nfs/dbraw/zinc/97/00/60/747970060.db2.gz KRMVYQJKXAXMNT-HZMVEIRTSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521794 748269180 /nfs/dbraw/zinc/26/91/80/748269180.db2.gz TXHSODFPEIUZQK-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200688359 748311369 /nfs/dbraw/zinc/31/13/69/748311369.db2.gz NWDFAQSPEFXHKI-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720981 748327540 /nfs/dbraw/zinc/32/75/40/748327540.db2.gz FSDRIFRXJVQOMF-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201403566 748499414 /nfs/dbraw/zinc/49/94/14/748499414.db2.gz MIMYTCSBCZCDNS-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004603673 748581971 /nfs/dbraw/zinc/58/19/71/748581971.db2.gz IJKDVOXJNVFTKW-QGZVFWFLSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001032119184 748670731 /nfs/dbraw/zinc/67/07/31/748670731.db2.gz IMCWRNPVYAKVFZ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032119184 748670734 /nfs/dbraw/zinc/67/07/34/748670734.db2.gz IMCWRNPVYAKVFZ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202071140 748675519 /nfs/dbraw/zinc/67/55/19/748675519.db2.gz WVEXFAKTEHEZMM-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001032183083 748774273 /nfs/dbraw/zinc/77/42/73/748774273.db2.gz ZKBJRAODSVLFBS-KRWDZBQOSA-N 2 1 312.417 1.058 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001044781710 749123885 /nfs/dbraw/zinc/12/38/85/749123885.db2.gz VVFCUQCRQYFPDW-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296145 749137630 /nfs/dbraw/zinc/13/76/30/749137630.db2.gz PNHVAGLRUQKOQX-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033682287 749709929 /nfs/dbraw/zinc/70/99/29/749709929.db2.gz BFKSXEHKGCQEFT-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676013 749893117 /nfs/dbraw/zinc/89/31/17/749893117.db2.gz KPMYKTNITAPIRD-SJORKVTESA-N 2 1 313.445 1.749 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431853 762026791 /nfs/dbraw/zinc/02/67/91/762026791.db2.gz VYQXDQRHQQDVNG-IXDOHACOSA-N 2 1 305.466 1.661 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001039431853 762026799 /nfs/dbraw/zinc/02/67/99/762026799.db2.gz VYQXDQRHQQDVNG-IXDOHACOSA-N 2 1 305.466 1.661 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538153 750539636 /nfs/dbraw/zinc/53/96/36/750539636.db2.gz JMIJZPICDPCQBX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538153 750539641 /nfs/dbraw/zinc/53/96/41/750539641.db2.gz JMIJZPICDPCQBX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538153 750539643 /nfs/dbraw/zinc/53/96/43/750539643.db2.gz JMIJZPICDPCQBX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC3CC3)C2)CC1 ZINC001034539239 750543027 /nfs/dbraw/zinc/54/30/27/750543027.db2.gz ZANSSZNOJHNKAQ-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC)CC1 ZINC000997149528 750584673 /nfs/dbraw/zinc/58/46/73/750584673.db2.gz OZEVQQXWBUACOH-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCC)CC1 ZINC000997149528 750584675 /nfs/dbraw/zinc/58/46/75/750584675.db2.gz OZEVQQXWBUACOH-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114624616 750871830 /nfs/dbraw/zinc/87/18/30/750871830.db2.gz VXTILNSBEPXFGV-DZFIZOCASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624616 750871834 /nfs/dbraw/zinc/87/18/34/750871834.db2.gz VXTILNSBEPXFGV-DZFIZOCASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114624616 750871838 /nfs/dbraw/zinc/87/18/38/750871838.db2.gz VXTILNSBEPXFGV-DZFIZOCASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000681916 762085279 /nfs/dbraw/zinc/08/52/79/762085279.db2.gz FYZVCFHDMNBACV-IAGOWNOFSA-N 2 1 301.434 1.242 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001114774409 751071553 /nfs/dbraw/zinc/07/15/53/751071553.db2.gz NTBAJWKQLOTAOZ-VQFNDLOPSA-N 2 1 312.417 1.056 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001035187386 751288371 /nfs/dbraw/zinc/28/83/71/751288371.db2.gz WLLHGAGLTSWTPV-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035187386 751288373 /nfs/dbraw/zinc/28/83/73/751288373.db2.gz WLLHGAGLTSWTPV-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001035187386 751288377 /nfs/dbraw/zinc/28/83/77/751288377.db2.gz WLLHGAGLTSWTPV-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008829837 752938202 /nfs/dbraw/zinc/93/82/02/752938202.db2.gz ULEMEAYLGUZURO-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108024458 753574099 /nfs/dbraw/zinc/57/40/99/753574099.db2.gz LOWCHJMSKYQBMR-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024458 753574105 /nfs/dbraw/zinc/57/41/05/753574105.db2.gz LOWCHJMSKYQBMR-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024458 753574111 /nfs/dbraw/zinc/57/41/11/753574111.db2.gz LOWCHJMSKYQBMR-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001750409 754475596 /nfs/dbraw/zinc/47/55/96/754475596.db2.gz ALAPNOWIIQMKCU-GOSISDBHSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040138901 762405131 /nfs/dbraw/zinc/40/51/31/762405131.db2.gz WGIXPDOYMAROOS-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040138901 762405137 /nfs/dbraw/zinc/40/51/37/762405137.db2.gz WGIXPDOYMAROOS-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040138901 762405148 /nfs/dbraw/zinc/40/51/48/762405148.db2.gz WGIXPDOYMAROOS-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001040138901 762405153 /nfs/dbraw/zinc/40/51/53/762405153.db2.gz WGIXPDOYMAROOS-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040241684 762453296 /nfs/dbraw/zinc/45/32/96/762453296.db2.gz RALZWJQOIOMXBP-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241684 762453300 /nfs/dbraw/zinc/45/33/00/762453300.db2.gz RALZWJQOIOMXBP-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040241684 762453302 /nfs/dbraw/zinc/45/33/02/762453302.db2.gz RALZWJQOIOMXBP-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040242676 762454903 /nfs/dbraw/zinc/45/49/03/762454903.db2.gz ZIOLTHPMIURRNF-IEBWSBKVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016009994 756718877 /nfs/dbraw/zinc/71/88/77/756718877.db2.gz XIWJKUOPJUCLFG-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001016009994 756718881 /nfs/dbraw/zinc/71/88/81/756718881.db2.gz XIWJKUOPJUCLFG-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396545 762524105 /nfs/dbraw/zinc/52/41/05/762524105.db2.gz VHKMTZJYIKDBHD-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396545 762524110 /nfs/dbraw/zinc/52/41/10/762524110.db2.gz VHKMTZJYIKDBHD-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396545 762524116 /nfs/dbraw/zinc/52/41/16/762524116.db2.gz VHKMTZJYIKDBHD-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791043 757355249 /nfs/dbraw/zinc/35/52/49/757355249.db2.gz RCBQXEJTMBMZGO-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097706762 757394367 /nfs/dbraw/zinc/39/43/67/757394367.db2.gz DURBWXYZRNUYOA-NCOADZHNSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097706762 757394378 /nfs/dbraw/zinc/39/43/78/757394378.db2.gz DURBWXYZRNUYOA-NCOADZHNSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097706762 757394389 /nfs/dbraw/zinc/39/43/89/757394389.db2.gz DURBWXYZRNUYOA-NCOADZHNSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097706762 757394401 /nfs/dbraw/zinc/39/44/01/757394401.db2.gz DURBWXYZRNUYOA-NCOADZHNSA-N 2 1 321.465 1.393 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001016931716 757486984 /nfs/dbraw/zinc/48/69/84/757486984.db2.gz VQCFAMXPVYEUPC-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016984357 757529727 /nfs/dbraw/zinc/52/97/27/757529727.db2.gz YJJUOECUYBSHBX-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016983923 757530500 /nfs/dbraw/zinc/53/05/00/757530500.db2.gz AJVQSVNERGNBRG-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422387 757542306 /nfs/dbraw/zinc/54/23/06/757542306.db2.gz XBZKEHWDNBBAFJ-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422387 757542312 /nfs/dbraw/zinc/54/23/12/757542312.db2.gz XBZKEHWDNBBAFJ-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422387 757542316 /nfs/dbraw/zinc/54/23/16/757542316.db2.gz XBZKEHWDNBBAFJ-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001084455524 757576162 /nfs/dbraw/zinc/57/61/62/757576162.db2.gz XYBCDHMFARZOQM-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001084455524 757576169 /nfs/dbraw/zinc/57/61/69/757576169.db2.gz XYBCDHMFARZOQM-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001084455524 757576177 /nfs/dbraw/zinc/57/61/77/757576177.db2.gz XYBCDHMFARZOQM-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097846206 757600419 /nfs/dbraw/zinc/60/04/19/757600419.db2.gz XSSZLYIYVZQMNK-SRABZTEZSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097846206 757600427 /nfs/dbraw/zinc/60/04/27/757600427.db2.gz XSSZLYIYVZQMNK-SRABZTEZSA-N 2 1 314.433 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001052870999 757907888 /nfs/dbraw/zinc/90/78/88/757907888.db2.gz AQZAYCVJAFMKEO-CQSZACIVSA-N 2 1 311.857 1.805 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC=C)CC2)CC1 ZINC001052955048 758005378 /nfs/dbraw/zinc/00/53/78/758005378.db2.gz XVVYWSVOXFQJNC-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108507 758157822 /nfs/dbraw/zinc/15/78/22/758157822.db2.gz VJOXYDHRXIOVKK-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001054061398 759115787 /nfs/dbraw/zinc/11/57/87/759115787.db2.gz YUPVABPSKWQLGQ-ZWKOTPCHSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001054061398 759115789 /nfs/dbraw/zinc/11/57/89/759115789.db2.gz YUPVABPSKWQLGQ-ZWKOTPCHSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061398 759115792 /nfs/dbraw/zinc/11/57/92/759115792.db2.gz YUPVABPSKWQLGQ-ZWKOTPCHSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001054061398 759115795 /nfs/dbraw/zinc/11/57/95/759115795.db2.gz YUPVABPSKWQLGQ-ZWKOTPCHSA-N 2 1 313.445 1.667 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054144604 759222631 /nfs/dbraw/zinc/22/26/31/759222631.db2.gz ALAQXYOQKMPZKP-MJGOQNOKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001054164934 759246949 /nfs/dbraw/zinc/24/69/49/759246949.db2.gz XLRJLHYCAPUPAL-LJQANCHMSA-N 2 1 322.412 1.896 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001098392638 760124751 /nfs/dbraw/zinc/12/47/51/760124751.db2.gz VPMVFPBKMSKYDV-UHFFFAOYSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108214131 760393019 /nfs/dbraw/zinc/39/30/19/760393019.db2.gz ZSWNVRRGCIEVTA-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108214131 760393033 /nfs/dbraw/zinc/39/30/33/760393033.db2.gz ZSWNVRRGCIEVTA-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108214131 760393041 /nfs/dbraw/zinc/39/30/41/760393041.db2.gz ZSWNVRRGCIEVTA-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086367007 761498806 /nfs/dbraw/zinc/49/88/06/761498806.db2.gz UIFIBRNJYFKZMS-ULQDDVLXSA-N 2 1 317.477 1.759 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001040848262 762704383 /nfs/dbraw/zinc/70/43/83/762704383.db2.gz HFKUOVLZPAPUAM-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041680275 763217799 /nfs/dbraw/zinc/21/77/99/763217799.db2.gz QPYKCRKCWRVZHN-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041680275 763217802 /nfs/dbraw/zinc/21/78/02/763217802.db2.gz QPYKCRKCWRVZHN-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001041680275 763217811 /nfs/dbraw/zinc/21/78/11/763217811.db2.gz QPYKCRKCWRVZHN-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041740735 763275691 /nfs/dbraw/zinc/27/56/91/763275691.db2.gz DGIIHVXLLVXJHU-SFHVURJKSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041740735 763275699 /nfs/dbraw/zinc/27/56/99/763275699.db2.gz DGIIHVXLLVXJHU-SFHVURJKSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@H+](C(C)C)C3)C2)CC1 ZINC001041844533 763401796 /nfs/dbraw/zinc/40/17/96/763401796.db2.gz KFUJKJQQIVBACP-IBGZPJMESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846008 763402866 /nfs/dbraw/zinc/40/28/66/763402866.db2.gz VBFWNZHFXPVQBA-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846008 763402868 /nfs/dbraw/zinc/40/28/68/763402868.db2.gz VBFWNZHFXPVQBA-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846008 763402871 /nfs/dbraw/zinc/40/28/71/763402871.db2.gz VBFWNZHFXPVQBA-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714471 763969775 /nfs/dbraw/zinc/96/97/75/763969775.db2.gz LXBWTRDUIPYPIB-QZWWFDLISA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563840 764406953 /nfs/dbraw/zinc/40/69/53/764406953.db2.gz QBTQAOIRGGHFRC-BQFCYCMXSA-N 2 1 303.450 1.180 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578206 764422665 /nfs/dbraw/zinc/42/26/65/764422665.db2.gz DBVHRMYYYINRAN-BQFCYCMXSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001112578830 764424036 /nfs/dbraw/zinc/42/40/36/764424036.db2.gz JAXGBWWJHCFHHZ-BQFCYCMXSA-N 2 1 305.466 1.733 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131692988 768275814 /nfs/dbraw/zinc/27/58/14/768275814.db2.gz MJICCLCOOKDNNO-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692988 768275819 /nfs/dbraw/zinc/27/58/19/768275819.db2.gz MJICCLCOOKDNNO-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692988 768275824 /nfs/dbraw/zinc/27/58/24/768275824.db2.gz MJICCLCOOKDNNO-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001113432157 765688097 /nfs/dbraw/zinc/68/80/97/765688097.db2.gz OBEIRINKEOBLPH-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001170210524 766170038 /nfs/dbraw/zinc/17/00/38/766170038.db2.gz BVKQTDBZALXHGM-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045437893 766307918 /nfs/dbraw/zinc/30/79/18/766307918.db2.gz HJVHSHBJRKZPFK-MRXNPFEDSA-N 2 1 305.466 1.853 20 30 DDEDMP C[N@H+](CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)C1CCC1 ZINC001129526774 766915572 /nfs/dbraw/zinc/91/55/72/766915572.db2.gz RQFDBHRWDBLYMX-UHFFFAOYSA-N 2 1 318.396 1.387 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)C1CCC1 ZINC001129526774 766915581 /nfs/dbraw/zinc/91/55/81/766915581.db2.gz RQFDBHRWDBLYMX-UHFFFAOYSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1F ZINC001129770538 766998121 /nfs/dbraw/zinc/99/81/21/766998121.db2.gz HREOUHOPVJAXFG-INIZCTEOSA-N 2 1 321.371 1.268 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1F ZINC001129770538 766998128 /nfs/dbraw/zinc/99/81/28/766998128.db2.gz HREOUHOPVJAXFG-INIZCTEOSA-N 2 1 321.371 1.268 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707077 767825708 /nfs/dbraw/zinc/82/57/08/767825708.db2.gz NYTOYIJHVXLODO-LJQANCHMSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001046707076 767826291 /nfs/dbraw/zinc/82/62/91/767826291.db2.gz NYTOYIJHVXLODO-IBGZPJMESA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132106154 768632116 /nfs/dbraw/zinc/63/21/16/768632116.db2.gz QRPXVGRVEOLAOO-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132106154 768632118 /nfs/dbraw/zinc/63/21/18/768632118.db2.gz QRPXVGRVEOLAOO-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132106154 768632120 /nfs/dbraw/zinc/63/21/20/768632120.db2.gz QRPXVGRVEOLAOO-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183852 768670839 /nfs/dbraw/zinc/67/08/39/768670839.db2.gz VUJBFYNNSSDRTK-GOEBONIOSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132183852 768670841 /nfs/dbraw/zinc/67/08/41/768670841.db2.gz VUJBFYNNSSDRTK-GOEBONIOSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265156 768718771 /nfs/dbraw/zinc/71/87/71/768718771.db2.gz IQSBNVMFRRJIIA-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176270 769101139 /nfs/dbraw/zinc/10/11/39/769101139.db2.gz UDMIBBNPKCSOQJ-CRAIPNDOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176270 769101146 /nfs/dbraw/zinc/10/11/46/769101146.db2.gz UDMIBBNPKCSOQJ-CRAIPNDOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176270 769101149 /nfs/dbraw/zinc/10/11/49/769101149.db2.gz UDMIBBNPKCSOQJ-CRAIPNDOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241742 769183639 /nfs/dbraw/zinc/18/36/39/769183639.db2.gz ZUGXEEQFCZZWJD-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132977548 769379403 /nfs/dbraw/zinc/37/94/03/769379403.db2.gz MZYXCKNOEYUXBS-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562044 769534780 /nfs/dbraw/zinc/53/47/80/769534780.db2.gz JDMSQXDNQMRGSN-UYTYNIKBSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562044 769534784 /nfs/dbraw/zinc/53/47/84/769534784.db2.gz JDMSQXDNQMRGSN-UYTYNIKBSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C2 ZINC001048562044 769534793 /nfs/dbraw/zinc/53/47/93/769534793.db2.gz JDMSQXDNQMRGSN-UYTYNIKBSA-N 2 1 317.477 1.567 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001133166243 769555690 /nfs/dbraw/zinc/55/56/90/769555690.db2.gz RNIITPOPMJUSOZ-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133262049 769641643 /nfs/dbraw/zinc/64/16/43/769641643.db2.gz FWGORDMATIQZNV-IRXDYDNUSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048828142 769952725 /nfs/dbraw/zinc/95/27/25/769952725.db2.gz QKWQLBWUCSNNIT-HRCADAONSA-N 2 1 316.449 1.973 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3CC)C[C@H]2C1 ZINC001048828142 769952732 /nfs/dbraw/zinc/95/27/32/769952732.db2.gz QKWQLBWUCSNNIT-HRCADAONSA-N 2 1 316.449 1.973 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863884 770012080 /nfs/dbraw/zinc/01/20/80/770012080.db2.gz NZBVFXWAYYEWOU-QLFBSQMISA-N 2 1 311.857 1.469 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC[C@H](C)F)C[C@@H]2C1 ZINC001048870011 770019788 /nfs/dbraw/zinc/01/97/88/770019788.db2.gz KRPUAMIUXWMZEG-NXOAAHMSSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC[C@H](C)F)C[C@@H]2C1 ZINC001048870011 770019798 /nfs/dbraw/zinc/01/97/98/770019798.db2.gz KRPUAMIUXWMZEG-NXOAAHMSSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC[C@H](C)F)C[C@@H]2C1 ZINC001048870011 770019810 /nfs/dbraw/zinc/01/98/10/770019810.db2.gz KRPUAMIUXWMZEG-NXOAAHMSSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC[C@H](C)F)C[C@@H]2C1 ZINC001048870011 770019823 /nfs/dbraw/zinc/01/98/23/770019823.db2.gz KRPUAMIUXWMZEG-NXOAAHMSSA-N 2 1 321.440 1.222 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC=C)C2)CC1 ZINC001072095029 770534838 /nfs/dbraw/zinc/53/48/38/770534838.db2.gz FGWPUKDYTGZLMQ-SJLPKXTDSA-N 2 1 317.477 1.877 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478646 770907668 /nfs/dbraw/zinc/90/76/68/770907668.db2.gz QXAZXCCEHDZAOB-FGTMMUONSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049524253 770974335 /nfs/dbraw/zinc/97/43/35/770974335.db2.gz JWBBWUDVMUCOTE-GVDBMIGSSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001049720653 771113750 /nfs/dbraw/zinc/11/37/50/771113750.db2.gz SBIHHAOBTRVZIT-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049720653 771113751 /nfs/dbraw/zinc/11/37/51/771113751.db2.gz SBIHHAOBTRVZIT-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001049720653 771113754 /nfs/dbraw/zinc/11/37/54/771113754.db2.gz SBIHHAOBTRVZIT-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049839686 771198781 /nfs/dbraw/zinc/19/87/81/771198781.db2.gz JQSDACPEMICTTD-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049839686 771198783 /nfs/dbraw/zinc/19/87/83/771198783.db2.gz JQSDACPEMICTTD-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049839686 771198786 /nfs/dbraw/zinc/19/87/86/771198786.db2.gz JQSDACPEMICTTD-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001049892087 771238252 /nfs/dbraw/zinc/23/82/52/771238252.db2.gz ZIHQKKGAUVCJNN-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049892087 771238256 /nfs/dbraw/zinc/23/82/56/771238256.db2.gz ZIHQKKGAUVCJNN-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)C1 ZINC001049892087 771238259 /nfs/dbraw/zinc/23/82/59/771238259.db2.gz ZIHQKKGAUVCJNN-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914036 771254161 /nfs/dbraw/zinc/25/41/61/771254161.db2.gz LNGCQMYNVINEBS-ROUUACIJSA-N 2 1 317.477 1.951 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001096914268 771509551 /nfs/dbraw/zinc/50/95/51/771509551.db2.gz NAAXXRIRGZOLQQ-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001096914268 771509554 /nfs/dbraw/zinc/50/95/54/771509554.db2.gz NAAXXRIRGZOLQQ-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914268 771509559 /nfs/dbraw/zinc/50/95/59/771509559.db2.gz NAAXXRIRGZOLQQ-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914268 771509562 /nfs/dbraw/zinc/50/95/62/771509562.db2.gz NAAXXRIRGZOLQQ-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471250 771527611 /nfs/dbraw/zinc/52/76/11/771527611.db2.gz JGODDKXGEJTNDC-KGLIPLIRSA-N 2 1 318.421 1.390 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001086740118 771576204 /nfs/dbraw/zinc/57/62/04/771576204.db2.gz JBIAHDQIYVVUSR-GVDBMIGSSA-N 2 1 305.466 1.615 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001091231889 772630246 /nfs/dbraw/zinc/63/02/46/772630246.db2.gz DDOACDSQXISBOF-SLTAFYQDSA-N 2 1 302.422 1.424 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cc(C#N)ccc1OC ZINC001146718567 772925876 /nfs/dbraw/zinc/92/58/76/772925876.db2.gz DJAVLSBAXVIHHX-UHFFFAOYSA-N 2 1 318.421 1.114 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC=C ZINC001171308705 773159623 /nfs/dbraw/zinc/15/96/23/773159623.db2.gz VILCNYJCCLQOIP-IRXDYDNUSA-N 2 1 305.466 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CCC=C ZINC001171308705 773159626 /nfs/dbraw/zinc/15/96/26/773159626.db2.gz VILCNYJCCLQOIP-IRXDYDNUSA-N 2 1 305.466 1.925 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073633806 773246578 /nfs/dbraw/zinc/24/65/78/773246578.db2.gz HLJHUSLMAMGHNN-GJZGRUSLSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073633806 773246580 /nfs/dbraw/zinc/24/65/80/773246580.db2.gz HLJHUSLMAMGHNN-GJZGRUSLSA-N 2 1 318.421 1.154 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001147878208 773284361 /nfs/dbraw/zinc/28/43/61/773284361.db2.gz VBWKEYZRRMHOGC-AWEZNQCLSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755850 773380631 /nfs/dbraw/zinc/38/06/31/773380631.db2.gz LBQMYPSLXUWPDO-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738345 773555246 /nfs/dbraw/zinc/55/52/46/773555246.db2.gz UYDYSHBKIDYAAK-RYRKJORJSA-N 2 1 303.450 1.130 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001148638739 773561512 /nfs/dbraw/zinc/56/15/12/773561512.db2.gz PPSBEOKCDHCCMF-UHFFFAOYSA-N 2 1 321.852 1.739 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CCc3cncn3C)C2)C1 ZINC001148694638 773566864 /nfs/dbraw/zinc/56/68/64/773566864.db2.gz DRMZEDRYRPFAFX-UHFFFAOYSA-N 2 1 316.449 1.853 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001074653021 774050917 /nfs/dbraw/zinc/05/09/17/774050917.db2.gz SKJAESJSQIMFER-BQFCYCMXSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001074837463 774177893 /nfs/dbraw/zinc/17/78/93/774177893.db2.gz HHRIDAFTRXJPON-LXZKKBNFSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762861 774516728 /nfs/dbraw/zinc/51/67/28/774516728.db2.gz QKJNJGARDOHQFE-RDJZCZTQSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001099029378 774781082 /nfs/dbraw/zinc/78/10/82/774781082.db2.gz BAPVABDNEPPNBB-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029378 774781085 /nfs/dbraw/zinc/78/10/85/774781085.db2.gz BAPVABDNEPPNBB-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029378 774781089 /nfs/dbraw/zinc/78/10/89/774781089.db2.gz BAPVABDNEPPNBB-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001111466295 774834749 /nfs/dbraw/zinc/83/47/49/774834749.db2.gz PVEZIZWNDHRCNZ-OAGGEKHMSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466295 774834755 /nfs/dbraw/zinc/83/47/55/774834755.db2.gz PVEZIZWNDHRCNZ-OAGGEKHMSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001111466295 774834763 /nfs/dbraw/zinc/83/47/63/774834763.db2.gz PVEZIZWNDHRCNZ-OAGGEKHMSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099107181 774837512 /nfs/dbraw/zinc/83/75/12/774837512.db2.gz WYDGJXNAMWSZSG-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001099310184 774941233 /nfs/dbraw/zinc/94/12/33/774941233.db2.gz JJMYKKQZTQAYHI-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310184 774941236 /nfs/dbraw/zinc/94/12/36/774941236.db2.gz JJMYKKQZTQAYHI-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001099310184 774941239 /nfs/dbraw/zinc/94/12/39/774941239.db2.gz JJMYKKQZTQAYHI-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341692 774952716 /nfs/dbraw/zinc/95/27/16/774952716.db2.gz POSXIWMQHZBIOX-IJLUTSLNSA-N 2 1 305.344 1.103 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110148129 774974393 /nfs/dbraw/zinc/97/43/93/774974393.db2.gz KMWMLYTZIXQNTM-IKGGRYGDSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099529541 775018664 /nfs/dbraw/zinc/01/86/64/775018664.db2.gz RTIYXVJCZGOQHT-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CC)C1 ZINC001099544596 775023121 /nfs/dbraw/zinc/02/31/21/775023121.db2.gz RFULKXXOAWNFOM-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544596 775023130 /nfs/dbraw/zinc/02/31/30/775023130.db2.gz RFULKXXOAWNFOM-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544596 775023134 /nfs/dbraw/zinc/02/31/34/775023134.db2.gz RFULKXXOAWNFOM-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036897083 776012106 /nfs/dbraw/zinc/01/21/06/776012106.db2.gz ZKNORVOUPNKYDZ-CABCVRRESA-N 2 1 311.857 1.758 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001171762980 776450201 /nfs/dbraw/zinc/45/02/01/776450201.db2.gz OXORJBXNLFKOKO-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102190219 777923203 /nfs/dbraw/zinc/92/32/03/777923203.db2.gz WXNINHMIUKBIFV-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579384 778221743 /nfs/dbraw/zinc/22/17/43/778221743.db2.gz UXBACKMFQIPUQR-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001102579384 778221745 /nfs/dbraw/zinc/22/17/45/778221745.db2.gz UXBACKMFQIPUQR-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177125020 778437936 /nfs/dbraw/zinc/43/79/36/778437936.db2.gz MKTXQEXMNUGESD-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177125020 778437941 /nfs/dbraw/zinc/43/79/41/778437941.db2.gz MKTXQEXMNUGESD-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177125020 778437943 /nfs/dbraw/zinc/43/79/43/778437943.db2.gz MKTXQEXMNUGESD-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177125020 778437948 /nfs/dbraw/zinc/43/79/48/778437948.db2.gz MKTXQEXMNUGESD-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090533 778631434 /nfs/dbraw/zinc/63/14/34/778631434.db2.gz XJFNTHONKFBGRS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090533 778631437 /nfs/dbraw/zinc/63/14/37/778631437.db2.gz XJFNTHONKFBGRS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090533 778631443 /nfs/dbraw/zinc/63/14/43/778631443.db2.gz XJFNTHONKFBGRS-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001103099791 778639392 /nfs/dbraw/zinc/63/93/92/778639392.db2.gz ZSGLWWVTQMXUNX-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103099791 778639397 /nfs/dbraw/zinc/63/93/97/778639397.db2.gz ZSGLWWVTQMXUNX-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001103099791 778639401 /nfs/dbraw/zinc/63/94/01/778639401.db2.gz ZSGLWWVTQMXUNX-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(C)C)C[C@H]1C ZINC001103099791 778639406 /nfs/dbraw/zinc/63/94/06/778639406.db2.gz ZSGLWWVTQMXUNX-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721482 779011414 /nfs/dbraw/zinc/01/14/14/779011414.db2.gz URVYBUZUQLFGIO-ZACQAIPSSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103721482 779011420 /nfs/dbraw/zinc/01/14/20/779011420.db2.gz URVYBUZUQLFGIO-ZACQAIPSSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103721482 779011426 /nfs/dbraw/zinc/01/14/26/779011426.db2.gz URVYBUZUQLFGIO-ZACQAIPSSA-N 2 1 323.481 1.215 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179539091 779412372 /nfs/dbraw/zinc/41/23/72/779412372.db2.gz OGOIDGLBZBARFC-LXZKKBNFSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539124 779412527 /nfs/dbraw/zinc/41/25/27/779412527.db2.gz PDQAIRUQKRWXNT-RLFYNMQTSA-N 2 1 323.456 1.801 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001180061119 779607956 /nfs/dbraw/zinc/60/79/56/779607956.db2.gz XYWHVOUWFRUNLE-KRWDZBQOSA-N 2 1 323.481 1.244 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115577816 780246394 /nfs/dbraw/zinc/24/63/94/780246394.db2.gz KRWHIEIKGATSSE-INIZCTEOSA-N 2 1 323.456 1.852 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCF)CCCCC1 ZINC001115577816 780246396 /nfs/dbraw/zinc/24/63/96/780246396.db2.gz KRWHIEIKGATSSE-INIZCTEOSA-N 2 1 323.456 1.852 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267179057 837477793 /nfs/dbraw/zinc/47/77/93/837477793.db2.gz JYKDKFROJOCJNT-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267179057 837477800 /nfs/dbraw/zinc/47/78/00/837477800.db2.gz JYKDKFROJOCJNT-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267179057 837477805 /nfs/dbraw/zinc/47/78/05/837477805.db2.gz JYKDKFROJOCJNT-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267248867 837668031 /nfs/dbraw/zinc/66/80/31/837668031.db2.gz IUJDHCJIPQIVNW-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267248867 837668036 /nfs/dbraw/zinc/66/80/36/837668036.db2.gz IUJDHCJIPQIVNW-HNNXBMFYSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001266459134 836287068 /nfs/dbraw/zinc/28/70/68/836287068.db2.gz KLTMEUUYXXYHAF-RBSFLKMASA-N 2 1 302.422 1.870 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001266459134 836287079 /nfs/dbraw/zinc/28/70/79/836287079.db2.gz KLTMEUUYXXYHAF-RBSFLKMASA-N 2 1 302.422 1.870 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267070374 837287668 /nfs/dbraw/zinc/28/76/68/837287668.db2.gz LQNHTJGSJQOFQJ-AEFFLSMTSA-N 2 1 313.445 1.751 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267548697 838288069 /nfs/dbraw/zinc/28/80/69/838288069.db2.gz LGSKVJNJALAZMQ-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267548697 838288079 /nfs/dbraw/zinc/28/80/79/838288079.db2.gz LGSKVJNJALAZMQ-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267597424 838397644 /nfs/dbraw/zinc/39/76/44/838397644.db2.gz XINCUPXCNPVHDD-DLBZAZTESA-N 2 1 323.481 1.311 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC001268039059 839521043 /nfs/dbraw/zinc/52/10/43/839521043.db2.gz IGXCTQYREPFYCW-UHFFFAOYSA-N 2 1 302.422 1.658 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccsc1 ZINC001268551942 840435335 /nfs/dbraw/zinc/43/53/35/840435335.db2.gz HIZFCVDAUUDCIR-QGZUEGPWSA-N 2 1 317.458 1.608 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccsc1 ZINC001268551942 840435342 /nfs/dbraw/zinc/43/53/42/840435342.db2.gz HIZFCVDAUUDCIR-QGZUEGPWSA-N 2 1 317.458 1.608 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2ccnc2CC)C1 ZINC001269245511 841413425 /nfs/dbraw/zinc/41/34/25/841413425.db2.gz IQOXYPVVLCHXKC-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269245511 841413428 /nfs/dbraw/zinc/41/34/28/841413428.db2.gz IQOXYPVVLCHXKC-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001269245511 841413432 /nfs/dbraw/zinc/41/34/32/841413432.db2.gz IQOXYPVVLCHXKC-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001269403264 841606547 /nfs/dbraw/zinc/60/65/47/841606547.db2.gz UTUOATAOASSCDI-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001269766997 842026917 /nfs/dbraw/zinc/02/69/17/842026917.db2.gz ZGXDZVAMEUKCND-DLBZAZTESA-N 2 1 305.466 1.570 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001270188267 842366834 /nfs/dbraw/zinc/36/68/34/842366834.db2.gz ONWOWFXFFINYAQ-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001270275588 842447548 /nfs/dbraw/zinc/44/75/48/842447548.db2.gz JFTZEXROSYMVFW-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001270486657 842612346 /nfs/dbraw/zinc/61/23/46/842612346.db2.gz OJEPDLVXUAPEJA-SJORKVTESA-N 2 1 323.481 1.100 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001270655281 842780513 /nfs/dbraw/zinc/78/05/13/842780513.db2.gz CEVUNBPLQYAUQW-GOSISDBHSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001270705748 842835674 /nfs/dbraw/zinc/83/56/74/842835674.db2.gz XMTSMTKAUHHPTB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001270705748 842835675 /nfs/dbraw/zinc/83/56/75/842835675.db2.gz XMTSMTKAUHHPTB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001270825325 842936256 /nfs/dbraw/zinc/93/62/56/842936256.db2.gz AAPCTBDDXUOPCH-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001270825325 842936265 /nfs/dbraw/zinc/93/62/65/842936265.db2.gz AAPCTBDDXUOPCH-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001270998825 843121909 /nfs/dbraw/zinc/12/19/09/843121909.db2.gz JEZLADXXKXZLMP-KRWDZBQOSA-N 2 1 309.454 1.113 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001270998825 843121914 /nfs/dbraw/zinc/12/19/14/843121914.db2.gz JEZLADXXKXZLMP-KRWDZBQOSA-N 2 1 309.454 1.113 20 30 DDEDMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001326458470 861388313 /nfs/dbraw/zinc/38/83/13/861388313.db2.gz NJPQFURPODFUGT-QGZVFWFLSA-N 2 1 301.434 1.708 20 30 DDEDMP C=C[C@@](C)(O)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC001143139686 861388871 /nfs/dbraw/zinc/38/88/71/861388871.db2.gz AGWCVINFIUXXKS-NVXWUHKLSA-N 2 1 311.470 1.188 20 30 DDEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001271151844 843307318 /nfs/dbraw/zinc/30/73/18/843307318.db2.gz HHUIWUFQEIEZQQ-INIZCTEOSA-N 2 1 323.462 1.162 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@H](C)N(C)Cc1ccccc1C#N ZINC001409732963 845639462 /nfs/dbraw/zinc/63/94/62/845639462.db2.gz BOBZRSOFAGMVJR-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409732963 845639466 /nfs/dbraw/zinc/63/94/66/845639466.db2.gz BOBZRSOFAGMVJR-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409732963 845639471 /nfs/dbraw/zinc/63/94/71/845639471.db2.gz BOBZRSOFAGMVJR-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001409732963 845639477 /nfs/dbraw/zinc/63/94/77/845639477.db2.gz BOBZRSOFAGMVJR-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001409732963 845639483 /nfs/dbraw/zinc/63/94/83/845639483.db2.gz BOBZRSOFAGMVJR-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001327019777 861801860 /nfs/dbraw/zinc/80/18/60/861801860.db2.gz LVUJKIIFRZDCQX-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)CC1 ZINC001272888197 847591625 /nfs/dbraw/zinc/59/16/25/847591625.db2.gz REPSRUOWQHKNEL-IAGOWNOFSA-N 2 1 318.465 1.697 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143803 848557687 /nfs/dbraw/zinc/55/76/87/848557687.db2.gz LVITYBCZXCPOOU-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001273143803 848557690 /nfs/dbraw/zinc/55/76/90/848557690.db2.gz LVITYBCZXCPOOU-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143803 848557697 /nfs/dbraw/zinc/55/76/97/848557697.db2.gz LVITYBCZXCPOOU-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143803 848557700 /nfs/dbraw/zinc/55/77/00/848557700.db2.gz LVITYBCZXCPOOU-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCNC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273145492 848576565 /nfs/dbraw/zinc/57/65/65/848576565.db2.gz WXXUREJTZDDTAN-CVEARBPZSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCNC(=O)[C@@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273145495 848576717 /nfs/dbraw/zinc/57/67/17/848576717.db2.gz WXXUREJTZDDTAN-HOTGVXAUSA-N 2 1 305.466 1.733 20 30 DDEDMP N#Cc1ccc2ncnc(N3CCC[C@H]([NH+]4CC(C[NH3+])C4)C3)c2c1 ZINC001155372429 862004308 /nfs/dbraw/zinc/00/43/08/862004308.db2.gz HGLFZUSKILUMJA-HNNXBMFYSA-N 2 1 322.416 1.361 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCO1 ZINC001273277646 849324686 /nfs/dbraw/zinc/32/46/86/849324686.db2.gz WOWNXEDSTZOTCU-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001317648641 851594848 /nfs/dbraw/zinc/59/48/48/851594848.db2.gz BKWFKCLTCILUFB-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP C=CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275081684 852792074 /nfs/dbraw/zinc/79/20/74/852792074.db2.gz ZFPYMYYLRLUDSE-KBAYOESNSA-N 2 1 313.445 1.886 20 30 DDEDMP C=CCCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001327922504 862565859 /nfs/dbraw/zinc/56/58/59/862565859.db2.gz FWAQBGDDCKWPSQ-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CCF)CC2)CC1 ZINC001006443402 855437199 /nfs/dbraw/zinc/43/71/99/855437199.db2.gz CKGAEQXVYAMKTB-UHFFFAOYSA-N 2 1 309.429 1.224 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072732003 857648773 /nfs/dbraw/zinc/64/87/73/857648773.db2.gz UNUZETDFHHMTMQ-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072732003 857648776 /nfs/dbraw/zinc/64/87/76/857648776.db2.gz UNUZETDFHHMTMQ-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001072732003 857648777 /nfs/dbraw/zinc/64/87/77/857648777.db2.gz UNUZETDFHHMTMQ-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001072735878 857654895 /nfs/dbraw/zinc/65/48/95/857654895.db2.gz UUTJPLFPGGSMON-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813212 857741687 /nfs/dbraw/zinc/74/16/87/857741687.db2.gz IQRQCRKYAKMDEP-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072815402 857746449 /nfs/dbraw/zinc/74/64/49/857746449.db2.gz XSKHPUQSOKTBOR-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847488 857794177 /nfs/dbraw/zinc/79/41/77/857794177.db2.gz LTPWOYRXKGKIGH-UHFFFAOYSA-N 2 1 301.434 1.030 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073453956 858349528 /nfs/dbraw/zinc/34/95/28/858349528.db2.gz CUXMNSZKKHUMBC-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001276969347 881376638 /nfs/dbraw/zinc/37/66/38/881376638.db2.gz BSIBOWPTQKOYDC-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C[NH+](C)CCN1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140110223 860576603 /nfs/dbraw/zinc/57/66/03/860576603.db2.gz CNEKOFOFDIDICJ-UHFFFAOYSA-N 2 1 311.433 1.719 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)CCc2cnc[nH]2)C12CCC2 ZINC001203013343 860593238 /nfs/dbraw/zinc/59/32/38/860593238.db2.gz JCGBJNODGQTMKI-HUUCEWRRSA-N 2 1 300.406 1.383 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001328808920 863243900 /nfs/dbraw/zinc/24/39/00/863243900.db2.gz QYZURHXPOGOWAB-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001328808920 863243918 /nfs/dbraw/zinc/24/39/18/863243918.db2.gz QYZURHXPOGOWAB-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001328808920 863243937 /nfs/dbraw/zinc/24/39/37/863243937.db2.gz QYZURHXPOGOWAB-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001330171622 864122952 /nfs/dbraw/zinc/12/29/52/864122952.db2.gz WDKDDVBVXNWRMK-GOSISDBHSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001330171622 864122956 /nfs/dbraw/zinc/12/29/56/864122956.db2.gz WDKDDVBVXNWRMK-GOSISDBHSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001330171622 864122960 /nfs/dbraw/zinc/12/29/60/864122960.db2.gz WDKDDVBVXNWRMK-GOSISDBHSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](F)CC ZINC001153864336 864177416 /nfs/dbraw/zinc/17/74/16/864177416.db2.gz QEQQQOPJHMLZAU-OAGGEKHMSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC ZINC001153864336 864177425 /nfs/dbraw/zinc/17/74/25/864177425.db2.gz QEQQQOPJHMLZAU-OAGGEKHMSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](F)CC ZINC001153864336 864177431 /nfs/dbraw/zinc/17/74/31/864177431.db2.gz QEQQQOPJHMLZAU-OAGGEKHMSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](F)CC ZINC001153864336 864177438 /nfs/dbraw/zinc/17/74/38/864177438.db2.gz QEQQQOPJHMLZAU-OAGGEKHMSA-N 2 1 311.445 1.659 20 30 DDEDMP C=CCOCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001331073993 864827386 /nfs/dbraw/zinc/82/73/86/864827386.db2.gz GDLMAPRQLVSXDK-UHFFFAOYSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CCOCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001331073993 864827395 /nfs/dbraw/zinc/82/73/95/864827395.db2.gz GDLMAPRQLVSXDK-UHFFFAOYSA-N 2 1 320.437 1.317 20 30 DDEDMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]ccc3[nH]cc(C#N)c32)O1 ZINC001159243559 865183616 /nfs/dbraw/zinc/18/36/16/865183616.db2.gz QEJIWVJNTHXIJD-IOASZLSFSA-N 2 1 315.377 1.571 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001159725264 865484328 /nfs/dbraw/zinc/48/43/28/865484328.db2.gz GUUJDWHFECLPHJ-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725264 865484332 /nfs/dbraw/zinc/48/43/32/865484332.db2.gz GUUJDWHFECLPHJ-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725264 865484340 /nfs/dbraw/zinc/48/43/40/865484340.db2.gz GUUJDWHFECLPHJ-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001159725264 865484348 /nfs/dbraw/zinc/48/43/48/865484348.db2.gz GUUJDWHFECLPHJ-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C1CC1 ZINC001323095447 866334110 /nfs/dbraw/zinc/33/41/10/866334110.db2.gz XRRPYUWIPMIAMZ-QZTJIDSGSA-N 2 1 313.445 1.797 20 30 DDEDMP C[C@@]1(CO)CCC[N@@H+](CC#CC[NH+]2CCC[C@](C)(CO)C2)C1 ZINC001323359935 866562061 /nfs/dbraw/zinc/56/20/61/866562061.db2.gz ANAIQKISRCLAFA-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP C[C@@]1(CO)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(CO)C2)C1 ZINC001323359935 866562073 /nfs/dbraw/zinc/56/20/73/866562073.db2.gz ANAIQKISRCLAFA-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP C[C@@]1(CO)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(CO)C2)C1 ZINC001323359935 866562084 /nfs/dbraw/zinc/56/20/84/866562084.db2.gz ANAIQKISRCLAFA-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161445472 866671211 /nfs/dbraw/zinc/67/12/11/866671211.db2.gz SHZPIFZAPRBLJK-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161445472 866671217 /nfs/dbraw/zinc/67/12/17/866671217.db2.gz SHZPIFZAPRBLJK-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161445472 866671223 /nfs/dbraw/zinc/67/12/23/866671223.db2.gz SHZPIFZAPRBLJK-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[N@H+](CCNC(=O)Cc1c[nH]cn1)C1CCCCCC1 ZINC001323721758 866795914 /nfs/dbraw/zinc/79/59/14/866795914.db2.gz JEBBWXWLHMJKQE-UHFFFAOYSA-N 2 1 302.422 1.726 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC[C@@H]2C)(COC)CC1 ZINC001162482762 867566782 /nfs/dbraw/zinc/56/67/82/867566782.db2.gz TUCRRHPDIIBWNF-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001325665576 868230824 /nfs/dbraw/zinc/23/08/24/868230824.db2.gz NCDBBYWXRHKJEI-ULQDDVLXSA-N 2 1 305.466 1.474 20 30 DDEDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC001335413997 868280141 /nfs/dbraw/zinc/28/01/41/868280141.db2.gz UKQYWWOQMGLTCS-INIZCTEOSA-N 2 1 311.470 1.625 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531398 869264127 /nfs/dbraw/zinc/26/41/27/869264127.db2.gz GZGATLMDEPNHPH-DLBZAZTESA-N 2 1 317.477 1.760 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC001337652142 869580642 /nfs/dbraw/zinc/58/06/42/869580642.db2.gz UZHOAHYALPWPIP-MRXNPFEDSA-N 2 1 308.470 1.502 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC001337652142 869580650 /nfs/dbraw/zinc/58/06/50/869580650.db2.gz UZHOAHYALPWPIP-MRXNPFEDSA-N 2 1 308.470 1.502 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165727561 869692145 /nfs/dbraw/zinc/69/21/45/869692145.db2.gz DHMZFZHLPXSJRI-IAGOWNOFSA-N 2 1 317.477 1.903 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001166667384 870139812 /nfs/dbraw/zinc/13/98/12/870139812.db2.gz ABECVNVUDIPVCY-QGZVFWFLSA-N 2 1 313.445 1.476 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317948154 871642817 /nfs/dbraw/zinc/64/28/17/871642817.db2.gz VKOWXPAOVYOUJQ-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317948154 871642838 /nfs/dbraw/zinc/64/28/38/871642838.db2.gz VKOWXPAOVYOUJQ-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001316699226 871807041 /nfs/dbraw/zinc/80/70/41/871807041.db2.gz PRFUZGAEMSJBMX-WCXIOVBPSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316883447 872203693 /nfs/dbraw/zinc/20/36/93/872203693.db2.gz YNVXWVBJVZORAL-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206548033 872431498 /nfs/dbraw/zinc/43/14/98/872431498.db2.gz NNLCULKPUZTPQJ-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207687041 873478901 /nfs/dbraw/zinc/47/89/01/873478901.db2.gz YACPZBBZTVLHIK-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001207687041 873478907 /nfs/dbraw/zinc/47/89/07/873478907.db2.gz YACPZBBZTVLHIK-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001207687041 873478914 /nfs/dbraw/zinc/47/89/14/873478914.db2.gz YACPZBBZTVLHIK-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001207687041 873478918 /nfs/dbraw/zinc/47/89/18/873478918.db2.gz YACPZBBZTVLHIK-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576284 874281315 /nfs/dbraw/zinc/28/13/15/874281315.db2.gz FTWWFQGPYKLQPK-OAHLLOKOSA-N 2 1 314.433 1.366 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001378170384 874323162 /nfs/dbraw/zinc/32/31/62/874323162.db2.gz IEVDIWAVLODQFL-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001378170384 874323170 /nfs/dbraw/zinc/32/31/70/874323170.db2.gz IEVDIWAVLODQFL-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001378170384 874323181 /nfs/dbraw/zinc/32/31/81/874323181.db2.gz IEVDIWAVLODQFL-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242022 874752407 /nfs/dbraw/zinc/75/24/07/874752407.db2.gz IJMMTXAMIUORJU-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242022 874752413 /nfs/dbraw/zinc/75/24/13/874752413.db2.gz IJMMTXAMIUORJU-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277970 874774510 /nfs/dbraw/zinc/77/45/10/874774510.db2.gz MIUHIXPFBXDJHF-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829848 875140492 /nfs/dbraw/zinc/14/04/92/875140492.db2.gz JZLOOOUXFLPPAP-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215023858 876542242 /nfs/dbraw/zinc/54/22/42/876542242.db2.gz APTYXXBPIULRJH-CZUORRHYSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215773892 876804762 /nfs/dbraw/zinc/80/47/62/876804762.db2.gz CDOWVBLTZRHUQE-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220344785 878939510 /nfs/dbraw/zinc/93/95/10/878939510.db2.gz IRLTXSBRHCPXQL-OAGGEKHMSA-N 2 1 311.470 1.234 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221713988 880018491 /nfs/dbraw/zinc/01/84/91/880018491.db2.gz HYZVPCLWOCTRCW-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001221713988 880018510 /nfs/dbraw/zinc/01/85/10/880018510.db2.gz HYZVPCLWOCTRCW-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813246 880105713 /nfs/dbraw/zinc/10/57/13/880105713.db2.gz CLKPKJPFSZXPEW-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813246 880105715 /nfs/dbraw/zinc/10/57/15/880105715.db2.gz CLKPKJPFSZXPEW-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813246 880105717 /nfs/dbraw/zinc/10/57/17/880105717.db2.gz CLKPKJPFSZXPEW-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001381106150 881038767 /nfs/dbraw/zinc/03/87/67/881038767.db2.gz URAIPZHHHHDKDV-ZDUSSCGKSA-N 2 1 315.845 1.040 20 30 DDEDMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001381106150 881038784 /nfs/dbraw/zinc/03/87/84/881038784.db2.gz URAIPZHHHHDKDV-ZDUSSCGKSA-N 2 1 315.845 1.040 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684311 881056859 /nfs/dbraw/zinc/05/68/59/881056859.db2.gz QMOPKSXXWQMEAX-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)C[C@@H]21 ZINC001223684311 881056875 /nfs/dbraw/zinc/05/68/75/881056875.db2.gz QMOPKSXXWQMEAX-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001230315325 884426199 /nfs/dbraw/zinc/42/61/99/884426199.db2.gz MGNAGLVDBJTGSD-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230315325 884426212 /nfs/dbraw/zinc/42/62/12/884426212.db2.gz MGNAGLVDBJTGSD-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001230360171 884446981 /nfs/dbraw/zinc/44/69/81/884446981.db2.gz SPLFLSCEZPGUPX-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368217 885563659 /nfs/dbraw/zinc/56/36/59/885563659.db2.gz JIXZKZOIZRBKOU-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368217 885563678 /nfs/dbraw/zinc/56/36/78/885563678.db2.gz JIXZKZOIZRBKOU-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231368217 885563690 /nfs/dbraw/zinc/56/36/90/885563690.db2.gz JIXZKZOIZRBKOU-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231368217 885563700 /nfs/dbraw/zinc/56/37/00/885563700.db2.gz JIXZKZOIZRBKOU-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)c1cc(C[NH+](C)C)on1)C(C)C ZINC001277576827 885905840 /nfs/dbraw/zinc/90/58/40/885905840.db2.gz KYRIIYFALKIFNZ-CQSZACIVSA-N 2 1 306.410 1.104 20 30 DDEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCO[C@@H](C)C#N)CC2)CC1 ZINC001363799649 887254077 /nfs/dbraw/zinc/25/40/77/887254077.db2.gz FPXZZZPUZSONLJ-INIZCTEOSA-N 2 1 308.470 1.407 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234215724 887755308 /nfs/dbraw/zinc/75/53/08/887755308.db2.gz OZGYTQMXPQTOAJ-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234215724 887755320 /nfs/dbraw/zinc/75/53/20/887755320.db2.gz OZGYTQMXPQTOAJ-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234215724 887755332 /nfs/dbraw/zinc/75/53/32/887755332.db2.gz OZGYTQMXPQTOAJ-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234215724 887755348 /nfs/dbraw/zinc/75/53/48/887755348.db2.gz OZGYTQMXPQTOAJ-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278459060 892753541 /nfs/dbraw/zinc/75/35/41/892753541.db2.gz IAEVPEPKQXHXQV-XYJFISCASA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001366304492 893101244 /nfs/dbraw/zinc/10/12/44/893101244.db2.gz YRDQLGYHULXCAF-NEPJUHHUSA-N 2 1 318.259 1.474 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001374829095 914062397 /nfs/dbraw/zinc/06/23/97/914062397.db2.gz VPMKUHGDTHUUIR-CYBMUJFWSA-N 2 1 320.412 1.633 20 30 DDEDMP C[N@H+]1CCC[C@@H]([NH+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001254526418 896484497 /nfs/dbraw/zinc/48/44/97/896484497.db2.gz RLRGHBBWDZGNIP-QGZVFWFLSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCC[C@@H]([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001254526418 896484502 /nfs/dbraw/zinc/48/45/02/896484502.db2.gz RLRGHBBWDZGNIP-QGZVFWFLSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCC[C@@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001254526418 896484507 /nfs/dbraw/zinc/48/45/07/896484507.db2.gz RLRGHBBWDZGNIP-QGZVFWFLSA-N 2 1 313.449 1.950 20 30 DDEDMP C[NH+]1CCN(C(=O)C2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC001254669812 896565531 /nfs/dbraw/zinc/56/55/31/896565531.db2.gz VIOFPNFYKAYCEF-ZBFHGGJFSA-N 2 1 304.438 1.165 20 30 DDEDMP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257010709 897670092 /nfs/dbraw/zinc/67/00/92/897670092.db2.gz GFCKRFYQHGPPLP-CGZBRXJRSA-N 2 1 315.417 1.922 20 30 DDEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001263903121 900810695 /nfs/dbraw/zinc/81/06/95/900810695.db2.gz JABDYFRAHFZOGX-GVDBMIGSSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001264685576 901284545 /nfs/dbraw/zinc/28/45/45/901284545.db2.gz LLDGNGZAWWJOHZ-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001264708889 901303532 /nfs/dbraw/zinc/30/35/32/901303532.db2.gz XKZVIELOVXSNGL-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H]1C ZINC001264708889 901303543 /nfs/dbraw/zinc/30/35/43/901303543.db2.gz XKZVIELOVXSNGL-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001264708889 901303556 /nfs/dbraw/zinc/30/35/56/901303556.db2.gz XKZVIELOVXSNGL-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001264708889 901303571 /nfs/dbraw/zinc/30/35/71/901303571.db2.gz XKZVIELOVXSNGL-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001265494982 902070680 /nfs/dbraw/zinc/07/06/80/902070680.db2.gz XOPNIWSPODJPKE-KKUMJFAQSA-N 2 1 300.406 1.014 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523202 902093284 /nfs/dbraw/zinc/09/32/84/902093284.db2.gz IQLIUSYMGBCIDR-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586473 902162068 /nfs/dbraw/zinc/16/20/68/902162068.db2.gz HYKWHEFUCDHWGP-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586473 902162077 /nfs/dbraw/zinc/16/20/77/902162077.db2.gz HYKWHEFUCDHWGP-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CC[N@@H+](CC)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266112323 902963951 /nfs/dbraw/zinc/96/39/51/902963951.db2.gz LKBZEZARTMJESL-KRWDZBQOSA-N 2 1 307.482 1.958 20 30 DDEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)C[NH+]1CCCC1 ZINC001392326821 903902248 /nfs/dbraw/zinc/90/22/48/903902248.db2.gz MIRZAHVMGNWLOY-UHFFFAOYSA-N 2 1 314.433 1.544 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001392956371 905794990 /nfs/dbraw/zinc/79/49/90/905794990.db2.gz DPIUXBWDISFKOO-NSHDSACASA-N 2 1 316.243 1.085 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001392956371 905795008 /nfs/dbraw/zinc/79/50/08/905795008.db2.gz DPIUXBWDISFKOO-NSHDSACASA-N 2 1 316.243 1.085 20 30 DDEDMP C=CC[NH2+]CCCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001282580440 905877009 /nfs/dbraw/zinc/87/70/09/905877009.db2.gz ORZCACTVUYTAEX-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000314873502 231135504 /nfs/dbraw/zinc/13/55/04/231135504.db2.gz XXUFBTPFDVRGKQ-UHFFFAOYSA-N 2 1 300.406 1.770 20 30 DDEDMP [NH2+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000083032163 353705217 /nfs/dbraw/zinc/70/52/17/353705217.db2.gz LABQTGTTZVYWCT-CZUORRHYSA-N 2 1 314.433 1.899 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000594445773 356219152 /nfs/dbraw/zinc/21/91/52/356219152.db2.gz LRSALSWRCFQASF-QGZVFWFLSA-N 2 1 314.433 1.742 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)CC1 ZINC000598594697 357645060 /nfs/dbraw/zinc/64/50/60/357645060.db2.gz HXKMMKYTYBNDEV-IRXDYDNUSA-N 2 1 322.497 1.387 20 30 DDEDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599278392 357872438 /nfs/dbraw/zinc/87/24/38/357872438.db2.gz BWPFUANKVLGNDI-QGZVFWFLSA-N 2 1 323.481 1.862 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC000600718143 358294519 /nfs/dbraw/zinc/29/45/19/358294519.db2.gz VUZYKXMYBUMDRC-ARFHVFGLSA-N 2 1 307.438 1.274 20 30 DDEDMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCOCC1 ZINC000600718143 358294522 /nfs/dbraw/zinc/29/45/22/358294522.db2.gz VUZYKXMYBUMDRC-ARFHVFGLSA-N 2 1 307.438 1.274 20 30 DDEDMP CC(C)C[C@H]([NH2+]Cc1cccc(C#N)n1)C(=O)NCC[NH+](C)C ZINC000602582863 359055762 /nfs/dbraw/zinc/05/57/62/359055762.db2.gz YHDWAZRKTJPPRU-INIZCTEOSA-N 2 1 317.437 1.135 20 30 DDEDMP Cc1ccc(C[N@@H+](C)CC(=O)N2CCN(C)CC2)cc1C#N ZINC000602989066 359341309 /nfs/dbraw/zinc/34/13/09/359341309.db2.gz CDXVIIVEMPHNEF-UHFFFAOYSA-N 2 1 300.406 1.073 20 30 DDEDMP Cc1ccc(C[N@H+](C)CC(=O)N2CCN(C)CC2)cc1C#N ZINC000602989066 359341311 /nfs/dbraw/zinc/34/13/11/359341311.db2.gz CDXVIIVEMPHNEF-UHFFFAOYSA-N 2 1 300.406 1.073 20 30 DDEDMP C=CCN(CC=C)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875628 194152551 /nfs/dbraw/zinc/15/25/51/194152551.db2.gz UYIOOIHNYMPQOR-UHFFFAOYSA-N 2 1 316.449 1.875 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000074130212 406902513 /nfs/dbraw/zinc/90/25/13/406902513.db2.gz LDEAQIXNHWFBSO-MRXNPFEDSA-N 2 1 308.470 1.810 20 30 DDEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(C#N)nc1 ZINC000115383955 407673178 /nfs/dbraw/zinc/67/31/78/407673178.db2.gz VARSZJXOHAZQSO-UHFFFAOYSA-N 2 1 315.421 1.051 20 30 DDEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(C#N)nc1 ZINC000115383955 407673188 /nfs/dbraw/zinc/67/31/88/407673188.db2.gz VARSZJXOHAZQSO-UHFFFAOYSA-N 2 1 315.421 1.051 20 30 DDEDMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC#N ZINC000189957330 408140036 /nfs/dbraw/zinc/14/00/36/408140036.db2.gz OGDYWPUDTMTJCA-GJZGRUSLSA-N 2 1 314.433 1.372 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156518601 408263366 /nfs/dbraw/zinc/26/33/66/408263366.db2.gz KEJHWUIERQGXDY-VYDXJSESSA-N 2 1 317.437 1.820 20 30 DDEDMP N#Cc1ccc(CNCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000269420737 408302648 /nfs/dbraw/zinc/30/26/48/408302648.db2.gz LRAQGJFWGYNANK-OAHLLOKOSA-N 2 1 304.369 1.127 20 30 DDEDMP C[N@H+](C[C@H](O)C[NH2+]CCSCc1ccccc1C#N)C1CC1 ZINC000580434879 422931916 /nfs/dbraw/zinc/93/19/16/422931916.db2.gz IQHJXPAPKQIALA-QGZVFWFLSA-N 2 1 319.474 1.836 20 30 DDEDMP C[N@@H+](C[C@H](O)C[NH2+]CCSCc1ccccc1C#N)C1CC1 ZINC000580434879 422931918 /nfs/dbraw/zinc/93/19/18/422931918.db2.gz IQHJXPAPKQIALA-QGZVFWFLSA-N 2 1 319.474 1.836 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261943732 222262246 /nfs/dbraw/zinc/26/22/46/222262246.db2.gz FDRBPHXJTVIWJL-GZFHQYITSA-N 2 1 320.481 1.448 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@@]2(CCOC2)C1 ZINC000262002116 222269018 /nfs/dbraw/zinc/26/90/18/222269018.db2.gz UQQOFZMSDVSVSF-DOTOQJQBSA-N 2 1 308.470 1.549 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000367508681 418606886 /nfs/dbraw/zinc/60/68/86/418606886.db2.gz BAWDHUQLWXMAKQ-PMPSAXMXSA-N 2 1 304.438 1.165 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367508681 418606890 /nfs/dbraw/zinc/60/68/90/418606890.db2.gz BAWDHUQLWXMAKQ-PMPSAXMXSA-N 2 1 304.438 1.165 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000367508681 418606892 /nfs/dbraw/zinc/60/68/92/418606892.db2.gz BAWDHUQLWXMAKQ-PMPSAXMXSA-N 2 1 304.438 1.165 20 30 DDEDMP COc1cccc([C@H](CNC2=[NH+]CCN2C)[NH+]2CCCC2)c1 ZINC000262675874 222288821 /nfs/dbraw/zinc/28/88/21/222288821.db2.gz TXXRXOJFUGBXIW-INIZCTEOSA-N 2 1 302.422 1.723 20 30 DDEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=[NH2+])NC3CC3)c2)CCO1 ZINC000264071842 222312503 /nfs/dbraw/zinc/31/25/03/222312503.db2.gz DLWRECZOYRIFBH-ZDUSSCGKSA-N 2 1 302.422 1.474 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CC3)c2)CCO1 ZINC000264071842 222312505 /nfs/dbraw/zinc/31/25/05/222312505.db2.gz DLWRECZOYRIFBH-ZDUSSCGKSA-N 2 1 302.422 1.474 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(Cl)cc1 ZINC000264130242 222321868 /nfs/dbraw/zinc/32/18/68/222321868.db2.gz TYBVVVWHIWUYIF-UHFFFAOYSA-N 2 1 324.856 1.509 20 30 DDEDMP Cn1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1C#N ZINC000375461514 418641894 /nfs/dbraw/zinc/64/18/94/418641894.db2.gz HCIUSOCXTNTBOQ-UHFFFAOYSA-N 2 1 316.449 1.972 20 30 DDEDMP Cn1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1C#N ZINC000375461514 418641897 /nfs/dbraw/zinc/64/18/97/418641897.db2.gz HCIUSOCXTNTBOQ-UHFFFAOYSA-N 2 1 316.449 1.972 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncc(C(C)(C)C)o1 ZINC000267395191 222384624 /nfs/dbraw/zinc/38/46/24/222384624.db2.gz DWQXQTGSVJHDNY-LBPRGKRZSA-N 2 1 307.442 1.861 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000491711144 421202059 /nfs/dbraw/zinc/20/20/59/421202059.db2.gz WAAPSRAELHAFNX-AWEZNQCLSA-N 2 1 302.422 1.461 20 30 DDEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCC[NH2+]1 ZINC000662668703 424728960 /nfs/dbraw/zinc/72/89/60/424728960.db2.gz PUEXHTOEHOOAOM-DOTOQJQBSA-N 2 1 309.454 1.158 20 30 DDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000447532743 288944479 /nfs/dbraw/zinc/94/44/79/288944479.db2.gz XGUJAJXMSYKAMP-GOEBONIOSA-N 2 1 306.454 1.601 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424156699 534009179 /nfs/dbraw/zinc/00/91/79/534009179.db2.gz OPDFCQDKMMEAGX-YOEHRIQHSA-N 2 1 314.433 1.571 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000491674716 526813879 /nfs/dbraw/zinc/81/38/79/526813879.db2.gz LBGSPIJGALRTKG-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000491674716 526813885 /nfs/dbraw/zinc/81/38/85/526813885.db2.gz LBGSPIJGALRTKG-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000491674716 526813892 /nfs/dbraw/zinc/81/38/92/526813892.db2.gz LBGSPIJGALRTKG-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000491387885 526817278 /nfs/dbraw/zinc/81/72/78/526817278.db2.gz ZGRMPNDJFFVRAQ-QGZVFWFLSA-N 2 1 314.433 1.128 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000491071101 526828165 /nfs/dbraw/zinc/82/81/65/526828165.db2.gz ICFAOBYCSCZPQS-OAHLLOKOSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000491071101 526828168 /nfs/dbraw/zinc/82/81/68/526828168.db2.gz ICFAOBYCSCZPQS-OAHLLOKOSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000490574886 526924921 /nfs/dbraw/zinc/92/49/21/526924921.db2.gz DJKBTHTUQQHTAQ-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980218639 696710756 /nfs/dbraw/zinc/71/07/56/696710756.db2.gz VLIZPOLLLHSNME-GVDBMIGSSA-N 2 1 317.477 1.875 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000971777591 695089517 /nfs/dbraw/zinc/08/95/17/695089517.db2.gz GLCNCYWLNVQGBM-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972159163 695166755 /nfs/dbraw/zinc/16/67/55/695166755.db2.gz SLTIPTYMMMOFPH-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000972159163 695166756 /nfs/dbraw/zinc/16/67/56/695166756.db2.gz SLTIPTYMMMOFPH-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000972159163 695166757 /nfs/dbraw/zinc/16/67/57/695166757.db2.gz SLTIPTYMMMOFPH-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972553073 695280514 /nfs/dbraw/zinc/28/05/14/695280514.db2.gz YBFCMCVNYRZKQW-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553073 695280515 /nfs/dbraw/zinc/28/05/15/695280515.db2.gz YBFCMCVNYRZKQW-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553073 695280517 /nfs/dbraw/zinc/28/05/17/695280517.db2.gz YBFCMCVNYRZKQW-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972700063 695319042 /nfs/dbraw/zinc/31/90/42/695319042.db2.gz CLPXOYFJKKJGHH-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972700063 695319044 /nfs/dbraw/zinc/31/90/44/695319044.db2.gz CLPXOYFJKKJGHH-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC000972700063 695319050 /nfs/dbraw/zinc/31/90/50/695319050.db2.gz CLPXOYFJKKJGHH-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977393396 696142466 /nfs/dbraw/zinc/14/24/66/696142466.db2.gz WTEDIAGODCBIMR-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977393396 696142467 /nfs/dbraw/zinc/14/24/67/696142467.db2.gz WTEDIAGODCBIMR-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793840 696459326 /nfs/dbraw/zinc/45/93/26/696459326.db2.gz COFVRHFGHQLFHL-ZJPYXAASSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978793840 696459328 /nfs/dbraw/zinc/45/93/28/696459328.db2.gz COFVRHFGHQLFHL-ZJPYXAASSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978793840 696459330 /nfs/dbraw/zinc/45/93/30/696459330.db2.gz COFVRHFGHQLFHL-ZJPYXAASSA-N 2 1 317.477 1.567 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978905032 696473948 /nfs/dbraw/zinc/47/39/48/696473948.db2.gz ITMDYHNIRLGQKZ-NNZMDNLPSA-N 2 1 319.493 1.977 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(OC)cc1 ZINC000104157995 696618742 /nfs/dbraw/zinc/61/87/42/696618742.db2.gz JSOVQFRDFSICIV-CQSZACIVSA-N 2 1 320.437 1.463 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000104169586 696618916 /nfs/dbraw/zinc/61/89/16/696618916.db2.gz HKKSKTRWFKSZEC-KRWDZBQOSA-N 3 1 323.529 1.887 20 30 DDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1 ZINC000104192521 696619577 /nfs/dbraw/zinc/61/95/77/696619577.db2.gz HKSLMEGGWNRRBF-INIZCTEOSA-N 2 1 304.438 1.244 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981630132 696849662 /nfs/dbraw/zinc/84/96/62/696849662.db2.gz WNDRSISWVZSNSY-UHFFFAOYSA-N 2 1 316.449 1.872 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000981630132 696849664 /nfs/dbraw/zinc/84/96/64/696849664.db2.gz WNDRSISWVZSNSY-UHFFFAOYSA-N 2 1 316.449 1.872 20 30 DDEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686746 696875285 /nfs/dbraw/zinc/87/52/85/696875285.db2.gz YLFOYZPCIIBIMI-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686746 696875289 /nfs/dbraw/zinc/87/52/89/696875289.db2.gz YLFOYZPCIIBIMI-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686746 696875291 /nfs/dbraw/zinc/87/52/91/696875291.db2.gz YLFOYZPCIIBIMI-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686746 696875295 /nfs/dbraw/zinc/87/52/95/696875295.db2.gz YLFOYZPCIIBIMI-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981801237 696921568 /nfs/dbraw/zinc/92/15/68/696921568.db2.gz RGZMWICMRRWCRP-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801237 696921569 /nfs/dbraw/zinc/92/15/69/696921569.db2.gz RGZMWICMRRWCRP-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801237 696921570 /nfs/dbraw/zinc/92/15/70/696921570.db2.gz RGZMWICMRRWCRP-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981871011 696949367 /nfs/dbraw/zinc/94/93/67/696949367.db2.gz MLLOPGXNBVSEQP-UHFFFAOYSA-N 2 1 303.450 1.725 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013225 697003166 /nfs/dbraw/zinc/00/31/66/697003166.db2.gz OSICYXHPBPWYGA-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013225 697003168 /nfs/dbraw/zinc/00/31/68/697003168.db2.gz OSICYXHPBPWYGA-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013225 697003170 /nfs/dbraw/zinc/00/31/70/697003170.db2.gz OSICYXHPBPWYGA-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982221063 697064159 /nfs/dbraw/zinc/06/41/59/697064159.db2.gz JQQOKYMMVMIYFX-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000982221063 697064160 /nfs/dbraw/zinc/06/41/60/697064160.db2.gz JQQOKYMMVMIYFX-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000985430085 697509740 /nfs/dbraw/zinc/50/97/40/697509740.db2.gz VODOTGHCQUMLRW-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000985430085 697509742 /nfs/dbraw/zinc/50/97/42/697509742.db2.gz VODOTGHCQUMLRW-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000985430085 697509743 /nfs/dbraw/zinc/50/97/43/697509743.db2.gz VODOTGHCQUMLRW-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000985681772 697555071 /nfs/dbraw/zinc/55/50/71/697555071.db2.gz CPLNZIMJJMGGJL-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000985803153 697576928 /nfs/dbraw/zinc/57/69/28/697576928.db2.gz CDSKZMMWQGUFAL-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000775922581 698051811 /nfs/dbraw/zinc/05/18/11/698051811.db2.gz OIINAKDYKOGCRU-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000775922581 698051817 /nfs/dbraw/zinc/05/18/17/698051817.db2.gz OIINAKDYKOGCRU-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000775922581 698051822 /nfs/dbraw/zinc/05/18/22/698051822.db2.gz OIINAKDYKOGCRU-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000775922581 698051827 /nfs/dbraw/zinc/05/18/27/698051827.db2.gz OIINAKDYKOGCRU-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000304071961 698615165 /nfs/dbraw/zinc/61/51/65/698615165.db2.gz VSJXJECXSGQWLL-HOCLYGCPSA-N 2 1 304.438 1.590 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000304071961 698615169 /nfs/dbraw/zinc/61/51/69/698615169.db2.gz VSJXJECXSGQWLL-HOCLYGCPSA-N 2 1 304.438 1.590 20 30 DDEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC(C)C)CC2)oc1C ZINC000304759195 698624918 /nfs/dbraw/zinc/62/49/18/698624918.db2.gz QXLLTKSCZPBTEM-UHFFFAOYSA-N 2 1 307.442 1.816 20 30 DDEDMP CCc1cnc(CCNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)s1 ZINC000304806121 698625666 /nfs/dbraw/zinc/62/56/66/698625666.db2.gz RWJGABDPLKZKSM-GFCCVEGCSA-N 2 1 309.483 1.637 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H](C)[NH+]1CCCCC1 ZINC000305839799 698658713 /nfs/dbraw/zinc/65/87/13/698658713.db2.gz YQCYKZVSPJBQCV-HOTGVXAUSA-N 3 1 309.502 1.640 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355460 699304809 /nfs/dbraw/zinc/30/48/09/699304809.db2.gz BKKXFNZHHQJQOR-XLMAVXFVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355460 699304815 /nfs/dbraw/zinc/30/48/15/699304815.db2.gz BKKXFNZHHQJQOR-XLMAVXFVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355460 699304817 /nfs/dbraw/zinc/30/48/17/699304817.db2.gz BKKXFNZHHQJQOR-XLMAVXFVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991355460 699304821 /nfs/dbraw/zinc/30/48/21/699304821.db2.gz BKKXFNZHHQJQOR-XLMAVXFVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000849054664 703615681 /nfs/dbraw/zinc/61/56/81/703615681.db2.gz OGCBHUQAGSMYBJ-CQSZACIVSA-N 2 1 321.494 1.727 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000852359178 704023183 /nfs/dbraw/zinc/02/31/83/704023183.db2.gz DSRSENIDIOCOKB-KRWDZBQOSA-N 2 1 320.481 1.363 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000852359178 704023187 /nfs/dbraw/zinc/02/31/87/704023187.db2.gz DSRSENIDIOCOKB-KRWDZBQOSA-N 2 1 320.481 1.363 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000852359178 704023190 /nfs/dbraw/zinc/02/31/90/704023190.db2.gz DSRSENIDIOCOKB-KRWDZBQOSA-N 2 1 320.481 1.363 20 30 DDEDMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314850 704861126 /nfs/dbraw/zinc/86/11/26/704861126.db2.gz AQFMEVCDKQKYMC-SJLPKXTDSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314850 704861131 /nfs/dbraw/zinc/86/11/31/704861131.db2.gz AQFMEVCDKQKYMC-SJLPKXTDSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314850 704861135 /nfs/dbraw/zinc/86/11/35/704861135.db2.gz AQFMEVCDKQKYMC-SJLPKXTDSA-N 2 1 321.465 1.475 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000876902268 705916240 /nfs/dbraw/zinc/91/62/40/705916240.db2.gz LOMXXAQNQPEGRE-SNPRPXQTSA-N 2 1 311.857 1.932 20 30 DDEDMP C#CC[NH+]1CCC(c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)CC1 ZINC000871796653 707207886 /nfs/dbraw/zinc/20/78/86/707207886.db2.gz DSJBQDRHKUDJAM-GOOCMWNKSA-N 2 1 300.406 1.880 20 30 DDEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000883436771 708001448 /nfs/dbraw/zinc/00/14/48/708001448.db2.gz AJAJFOIBDXVQAT-LSDHHAIUSA-N 2 1 303.454 1.963 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000890371678 709843160 /nfs/dbraw/zinc/84/31/60/709843160.db2.gz ANNCMAQHPNMKRJ-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000890371678 709843168 /nfs/dbraw/zinc/84/31/68/709843168.db2.gz ANNCMAQHPNMKRJ-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000890371678 709843172 /nfs/dbraw/zinc/84/31/72/709843172.db2.gz ANNCMAQHPNMKRJ-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000890371678 709843177 /nfs/dbraw/zinc/84/31/77/709843177.db2.gz ANNCMAQHPNMKRJ-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891921900 710328510 /nfs/dbraw/zinc/32/85/10/710328510.db2.gz XOPLBULWQKQJMI-UHFFFAOYSA-N 2 1 314.433 1.087 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000892851754 710512584 /nfs/dbraw/zinc/51/25/84/710512584.db2.gz QBIARIOLXLAHLV-IAGOWNOFSA-N 2 1 320.481 1.905 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912029858 711133360 /nfs/dbraw/zinc/13/33/60/711133360.db2.gz QTJZGRBHTFHMOT-INIZCTEOSA-N 2 1 323.481 1.821 20 30 DDEDMP C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895160245 711436713 /nfs/dbraw/zinc/43/67/13/711436713.db2.gz LNAOGUOREPGOBR-XIRDDKMYSA-N 2 1 317.433 1.867 20 30 DDEDMP C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895160245 711436716 /nfs/dbraw/zinc/43/67/16/711436716.db2.gz LNAOGUOREPGOBR-XIRDDKMYSA-N 2 1 317.433 1.867 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905097718 711935318 /nfs/dbraw/zinc/93/53/18/711935318.db2.gz PMKQRBHCMJONAN-KRWDZBQOSA-N 2 1 310.482 1.920 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000914075795 713339170 /nfs/dbraw/zinc/33/91/70/713339170.db2.gz HZGZQYXWVDENQK-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000921407024 713759085 /nfs/dbraw/zinc/75/90/85/713759085.db2.gz SKJPNEWNTIRTPV-GOEBONIOSA-N 2 1 306.454 1.066 20 30 DDEDMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC000922387919 714036528 /nfs/dbraw/zinc/03/65/28/714036528.db2.gz MOKZIKQWXDFUMS-WCXIOVBPSA-N 2 1 303.406 1.721 20 30 DDEDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000923372546 714332292 /nfs/dbraw/zinc/33/22/92/714332292.db2.gz HZFWKEXOZKDYIZ-LGWLGOQQSA-N 2 1 303.406 1.274 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC000964030346 717970790 /nfs/dbraw/zinc/97/07/90/717970790.db2.gz JUSODTVAYDSWLB-HGWOHTHGSA-N 2 1 315.461 1.654 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)C2=O)cc1 ZINC000925631316 714903837 /nfs/dbraw/zinc/90/38/37/714903837.db2.gz HJMXMHSXJATICU-BBWFWOEESA-N 2 1 324.428 1.913 20 30 DDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])C34CCC4)C2=O)cc1 ZINC000925651219 714907332 /nfs/dbraw/zinc/90/73/32/714907332.db2.gz YSMYKNGHPUTOMS-BBWFWOEESA-N 2 1 324.428 1.519 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960272100 716474982 /nfs/dbraw/zinc/47/49/82/716474982.db2.gz YKQAHVBMXQSKRU-NCOADZHNSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960272100 716474985 /nfs/dbraw/zinc/47/49/85/716474985.db2.gz YKQAHVBMXQSKRU-NCOADZHNSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000960272100 716474978 /nfs/dbraw/zinc/47/49/78/716474978.db2.gz YKQAHVBMXQSKRU-NCOADZHNSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961263292 716887307 /nfs/dbraw/zinc/88/73/07/716887307.db2.gz SFQDVNWGSRYWTI-IAGOWNOFSA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940747922 716943325 /nfs/dbraw/zinc/94/33/25/716943325.db2.gz RSGIDWQAZXOJFB-IRXDYDNUSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940789744 716960902 /nfs/dbraw/zinc/96/09/02/716960902.db2.gz MMUKKLMQDIXKNF-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940789744 716960903 /nfs/dbraw/zinc/96/09/03/716960903.db2.gz MMUKKLMQDIXKNF-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940789744 716960906 /nfs/dbraw/zinc/96/09/06/716960906.db2.gz MMUKKLMQDIXKNF-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894399 717013276 /nfs/dbraw/zinc/01/32/76/717013276.db2.gz ZLOOKQOABDZQHO-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940894399 717013284 /nfs/dbraw/zinc/01/32/84/717013284.db2.gz ZLOOKQOABDZQHO-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027450 717078830 /nfs/dbraw/zinc/07/88/30/717078830.db2.gz FVNYWQYYBMAZHK-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027450 717078833 /nfs/dbraw/zinc/07/88/33/717078833.db2.gz FVNYWQYYBMAZHK-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027450 717078837 /nfs/dbraw/zinc/07/88/37/717078837.db2.gz FVNYWQYYBMAZHK-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941164877 717119750 /nfs/dbraw/zinc/11/97/50/717119750.db2.gz YIRWKDXOMFFPFP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164877 717119752 /nfs/dbraw/zinc/11/97/52/717119752.db2.gz YIRWKDXOMFFPFP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941164877 717119753 /nfs/dbraw/zinc/11/97/53/717119753.db2.gz YIRWKDXOMFFPFP-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000961942675 717257140 /nfs/dbraw/zinc/25/71/40/717257140.db2.gz CYDZBMIPHXBZKJ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961942675 717257143 /nfs/dbraw/zinc/25/71/43/717257143.db2.gz CYDZBMIPHXBZKJ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961942675 717257150 /nfs/dbraw/zinc/25/71/50/717257150.db2.gz CYDZBMIPHXBZKJ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942171484 717521890 /nfs/dbraw/zinc/52/18/90/717521890.db2.gz AGWRXRHYSSXWLA-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962730270 717568770 /nfs/dbraw/zinc/56/87/70/717568770.db2.gz KYSXUXVVZXIWKG-PIIMJCKOSA-N 2 1 313.445 1.984 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCC(=C)C)C[C@H]32)CC1 ZINC000962769954 717581001 /nfs/dbraw/zinc/58/10/01/717581001.db2.gz FYEXFKMQDMZMTB-PIIMJCKOSA-N 2 1 315.461 1.344 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582068 717762314 /nfs/dbraw/zinc/76/23/14/717762314.db2.gz RORAOFZBHHCQFU-HIFRSBDPSA-N 2 1 303.406 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582395 717762600 /nfs/dbraw/zinc/76/26/00/717762600.db2.gz YYRHHVGLIUAQGS-GDBMZVCRSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC000963472553 717802921 /nfs/dbraw/zinc/80/29/21/717802921.db2.gz WIZFDVHWCJKOSC-JCYILVPMSA-N 2 1 301.434 1.076 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC000963472553 717802923 /nfs/dbraw/zinc/80/29/23/717802923.db2.gz WIZFDVHWCJKOSC-JCYILVPMSA-N 2 1 301.434 1.076 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967086135 718761436 /nfs/dbraw/zinc/76/14/36/718761436.db2.gz LPKBLGKBKLYAQP-DYVFJYSZSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967086135 718761437 /nfs/dbraw/zinc/76/14/37/718761437.db2.gz LPKBLGKBKLYAQP-DYVFJYSZSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631612 718859413 /nfs/dbraw/zinc/85/94/13/718859413.db2.gz QHLLCSDESNSELU-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631612 718859419 /nfs/dbraw/zinc/85/94/19/718859419.db2.gz QHLLCSDESNSELU-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631612 718859426 /nfs/dbraw/zinc/85/94/26/718859426.db2.gz QHLLCSDESNSELU-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946899784 718939352 /nfs/dbraw/zinc/93/93/52/718939352.db2.gz PBGIQRXJVHEDTR-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)CC[C@@H]2C1 ZINC000946899784 718939355 /nfs/dbraw/zinc/93/93/55/718939355.db2.gz PBGIQRXJVHEDTR-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946899784 718939357 /nfs/dbraw/zinc/93/93/57/718939357.db2.gz PBGIQRXJVHEDTR-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)CC[C@@H]2C1 ZINC000946899784 718939359 /nfs/dbraw/zinc/93/93/59/718939359.db2.gz PBGIQRXJVHEDTR-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708362 718975649 /nfs/dbraw/zinc/97/56/49/718975649.db2.gz RHHSUYSKXHELEV-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708362 718975652 /nfs/dbraw/zinc/97/56/52/718975652.db2.gz RHHSUYSKXHELEV-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947492661 719186380 /nfs/dbraw/zinc/18/63/80/719186380.db2.gz LONAFZMXTIREPB-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474557 719518385 /nfs/dbraw/zinc/51/83/85/719518385.db2.gz WCMXNFSUDUEKMS-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498174 719625033 /nfs/dbraw/zinc/62/50/33/719625033.db2.gz XNYAFPIYEQJYCA-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000968925439 719875043 /nfs/dbraw/zinc/87/50/43/719875043.db2.gz DHMWURZFWOIBRK-CVEARBPZSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576037 738424086 /nfs/dbraw/zinc/42/40/86/738424086.db2.gz IZSIWMYPIZAVKG-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576037 738424088 /nfs/dbraw/zinc/42/40/88/738424088.db2.gz IZSIWMYPIZAVKG-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576037 738424090 /nfs/dbraw/zinc/42/40/90/738424090.db2.gz IZSIWMYPIZAVKG-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001027648323 738509531 /nfs/dbraw/zinc/50/95/31/738509531.db2.gz VGIJRPFPAIMQLL-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ncc[nH]2)C1 ZINC001021700679 733464015 /nfs/dbraw/zinc/46/40/15/733464015.db2.gz RXUPICCXOYNMPZ-CABCVRRESA-N 2 1 302.422 1.841 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737136 733496804 /nfs/dbraw/zinc/49/68/04/733496804.db2.gz RSVIOQIMKQJRIJ-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121133978 782372319 /nfs/dbraw/zinc/37/23/19/782372319.db2.gz MUKXVCLUAQQBGA-HGWOHTHGSA-N 2 1 317.477 1.757 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988932 734433594 /nfs/dbraw/zinc/43/35/94/734433594.db2.gz NDLDUNVSLMFRHD-HZMVEIRTSA-N 2 1 307.482 1.975 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167639568 734873954 /nfs/dbraw/zinc/87/39/54/734873954.db2.gz BYCICEBEAKXJHT-UHFFFAOYSA-N 2 1 311.470 1.407 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551545 735163882 /nfs/dbraw/zinc/16/38/82/735163882.db2.gz CBMOMTXRXDMMKV-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000972551545 735163883 /nfs/dbraw/zinc/16/38/83/735163883.db2.gz CBMOMTXRXDMMKV-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972551545 735163886 /nfs/dbraw/zinc/16/38/86/735163886.db2.gz CBMOMTXRXDMMKV-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000972551545 735163888 /nfs/dbraw/zinc/16/38/88/735163888.db2.gz CBMOMTXRXDMMKV-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372085 735203609 /nfs/dbraw/zinc/20/36/09/735203609.db2.gz MLBXEABEKGPGDT-NVXWUHKLSA-N 2 1 303.450 1.180 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023374603 735203938 /nfs/dbraw/zinc/20/39/38/735203938.db2.gz UXKFUCJVTLIRML-OAHLLOKOSA-N 2 1 319.453 1.073 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001023380571 735204347 /nfs/dbraw/zinc/20/43/47/735204347.db2.gz CHDUAUAZFKLWEP-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023380571 735204348 /nfs/dbraw/zinc/20/43/48/735204348.db2.gz CHDUAUAZFKLWEP-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001023380571 735204349 /nfs/dbraw/zinc/20/43/49/735204349.db2.gz CHDUAUAZFKLWEP-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447649 735236067 /nfs/dbraw/zinc/23/60/67/735236067.db2.gz SKNVFEANLZJIFP-HZPDHXFCSA-N 2 1 316.449 1.850 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516796 735893842 /nfs/dbraw/zinc/89/38/42/735893842.db2.gz NWRLBXDNQPAAHA-HUUCEWRRSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516796 735893847 /nfs/dbraw/zinc/89/38/47/735893847.db2.gz NWRLBXDNQPAAHA-HUUCEWRRSA-N 2 1 300.406 1.049 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516573 735894333 /nfs/dbraw/zinc/89/43/33/735894333.db2.gz LJQDTDHJVQUHOP-HZPDHXFCSA-N 2 1 314.433 1.440 20 30 DDEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516573 735894338 /nfs/dbraw/zinc/89/43/38/735894338.db2.gz LJQDTDHJVQUHOP-HZPDHXFCSA-N 2 1 314.433 1.440 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024691744 736024389 /nfs/dbraw/zinc/02/43/89/736024389.db2.gz BHUMCOQBKIAHEH-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024691744 736024392 /nfs/dbraw/zinc/02/43/92/736024392.db2.gz BHUMCOQBKIAHEH-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691744 736024396 /nfs/dbraw/zinc/02/43/96/736024396.db2.gz BHUMCOQBKIAHEH-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691744 736024399 /nfs/dbraw/zinc/02/43/99/736024399.db2.gz BHUMCOQBKIAHEH-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296729 736413952 /nfs/dbraw/zinc/41/39/52/736413952.db2.gz VNRPQDFQOHEYMK-DLBZAZTESA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296729 736413954 /nfs/dbraw/zinc/41/39/54/736413954.db2.gz VNRPQDFQOHEYMK-DLBZAZTESA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514682 736733996 /nfs/dbraw/zinc/73/39/96/736733996.db2.gz DHEXWIPOCYGZRP-GJZGRUSLSA-N 2 1 317.433 1.805 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025782092 736851862 /nfs/dbraw/zinc/85/18/62/736851862.db2.gz ZEEHEWIAUPDFFD-SUJAAXHWSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025782092 736851864 /nfs/dbraw/zinc/85/18/64/736851864.db2.gz ZEEHEWIAUPDFFD-SUJAAXHWSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025782092 736851866 /nfs/dbraw/zinc/85/18/66/736851866.db2.gz ZEEHEWIAUPDFFD-SUJAAXHWSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025782092 736851867 /nfs/dbraw/zinc/85/18/67/736851867.db2.gz ZEEHEWIAUPDFFD-SUJAAXHWSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148665 737146654 /nfs/dbraw/zinc/14/66/54/737146654.db2.gz ZVEIJHJSKBZNLA-NDVMQCNYSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001026148665 737146657 /nfs/dbraw/zinc/14/66/57/737146657.db2.gz ZVEIJHJSKBZNLA-NDVMQCNYSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088317115 741379472 /nfs/dbraw/zinc/37/94/72/741379472.db2.gz RVFLAFHKVXWJQM-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001026893957 737943022 /nfs/dbraw/zinc/94/30/22/737943022.db2.gz RVMGPKGTNGTMLR-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001026893957 737943024 /nfs/dbraw/zinc/94/30/24/737943024.db2.gz RVMGPKGTNGTMLR-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001027416922 738276135 /nfs/dbraw/zinc/27/61/35/738276135.db2.gz PHVFSOSHNIGJDS-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001027416922 738276139 /nfs/dbraw/zinc/27/61/39/738276139.db2.gz PHVFSOSHNIGJDS-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998048189 751484466 /nfs/dbraw/zinc/48/44/66/751484466.db2.gz USIIRQINEDXXKP-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998048189 751484468 /nfs/dbraw/zinc/48/44/68/751484468.db2.gz USIIRQINEDXXKP-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000998048189 751484470 /nfs/dbraw/zinc/48/44/70/751484470.db2.gz USIIRQINEDXXKP-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000998048189 751484473 /nfs/dbraw/zinc/48/44/73/751484473.db2.gz USIIRQINEDXXKP-IXDOHACOSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000854 740245345 /nfs/dbraw/zinc/24/53/45/740245345.db2.gz KWRORVLAYRDOGT-QGZVFWFLSA-N 2 1 313.445 1.823 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784708 740470121 /nfs/dbraw/zinc/47/01/21/740470121.db2.gz DTANDSBQOZGDEK-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075784708 740470122 /nfs/dbraw/zinc/47/01/22/740470122.db2.gz DTANDSBQOZGDEK-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001075784708 740470124 /nfs/dbraw/zinc/47/01/24/740470124.db2.gz DTANDSBQOZGDEK-YESZJQIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784745 740470519 /nfs/dbraw/zinc/47/05/19/740470519.db2.gz GOFWZGPFWHKOMK-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075784745 740470520 /nfs/dbraw/zinc/47/05/20/740470520.db2.gz GOFWZGPFWHKOMK-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700178 740712414 /nfs/dbraw/zinc/71/24/14/740712414.db2.gz DSSWKEDBHAGYFA-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700178 740712417 /nfs/dbraw/zinc/71/24/17/740712417.db2.gz DSSWKEDBHAGYFA-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700178 740712419 /nfs/dbraw/zinc/71/24/19/740712419.db2.gz DSSWKEDBHAGYFA-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700178 740712423 /nfs/dbraw/zinc/71/24/23/740712423.db2.gz DSSWKEDBHAGYFA-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)[C@H]1CC ZINC001087783463 740750534 /nfs/dbraw/zinc/75/05/34/740750534.db2.gz BOELNJVHLTUVAF-DOTOQJQBSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CCN1CC[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)[C@H]1CC ZINC001087783463 740750537 /nfs/dbraw/zinc/75/05/37/740750537.db2.gz BOELNJVHLTUVAF-DOTOQJQBSA-N 2 1 323.400 1.483 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998189293 751580075 /nfs/dbraw/zinc/58/00/75/751580075.db2.gz NBMAEQICUJXBRQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998189293 751580079 /nfs/dbraw/zinc/58/00/79/751580079.db2.gz NBMAEQICUJXBRQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998189293 751580085 /nfs/dbraw/zinc/58/00/85/751580085.db2.gz NBMAEQICUJXBRQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967824 740894644 /nfs/dbraw/zinc/89/46/44/740894644.db2.gz NVGZPNSXOCIQQZ-FGTMMUONSA-N 2 1 317.477 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571677 741845605 /nfs/dbraw/zinc/84/56/05/741845605.db2.gz JNALSNCEBQWYRF-PVAVHDDUSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088770564 742338831 /nfs/dbraw/zinc/33/88/31/742338831.db2.gz UDWKESKZWQMVMG-PVAVHDDUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076444947 742740999 /nfs/dbraw/zinc/74/09/99/742740999.db2.gz ZXLASKUARIVBEW-ZWKOTPCHSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001181974949 743438093 /nfs/dbraw/zinc/43/80/93/743438093.db2.gz DEEZDNAFNUHEMA-ZHALLVOQSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035749922 751864037 /nfs/dbraw/zinc/86/40/37/751864037.db2.gz IPWHBSIOOSTTPU-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070663 744486515 /nfs/dbraw/zinc/48/65/15/744486515.db2.gz QZKPEOQBFDYGNK-ZBFHGGJFSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)[C@H]1C ZINC001089070663 744486518 /nfs/dbraw/zinc/48/65/18/744486518.db2.gz QZKPEOQBFDYGNK-ZBFHGGJFSA-N 2 1 317.433 1.947 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001188140058 744664584 /nfs/dbraw/zinc/66/45/84/744664584.db2.gz WZZCZQPAGWYBJK-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191544025 745538209 /nfs/dbraw/zinc/53/82/09/745538209.db2.gz WKWITAAOQXWUBV-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506854 745541520 /nfs/dbraw/zinc/54/15/20/745541520.db2.gz DTUARWJLNVNQRZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309910 745592604 /nfs/dbraw/zinc/59/26/04/745592604.db2.gz GVHQYKVXQWWNSG-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309910 745592606 /nfs/dbraw/zinc/59/26/06/745592606.db2.gz GVHQYKVXQWWNSG-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191801287 745616194 /nfs/dbraw/zinc/61/61/94/745616194.db2.gz BCKLAKZOGXGQGO-BZUAXINKSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001191801287 745616198 /nfs/dbraw/zinc/61/61/98/745616198.db2.gz BCKLAKZOGXGQGO-BZUAXINKSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001191801287 745616203 /nfs/dbraw/zinc/61/62/03/745616203.db2.gz BCKLAKZOGXGQGO-BZUAXINKSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001191801287 745616206 /nfs/dbraw/zinc/61/62/06/745616206.db2.gz BCKLAKZOGXGQGO-BZUAXINKSA-N 2 1 311.470 1.212 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001106662893 745879557 /nfs/dbraw/zinc/87/95/57/745879557.db2.gz IXKHDGPJNXVXNC-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001193744414 746182386 /nfs/dbraw/zinc/18/23/86/746182386.db2.gz AVPFKPIHRDQDBI-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001193744414 746182390 /nfs/dbraw/zinc/18/23/90/746182390.db2.gz AVPFKPIHRDQDBI-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001193744414 746182392 /nfs/dbraw/zinc/18/23/92/746182392.db2.gz AVPFKPIHRDQDBI-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275287 746315206 /nfs/dbraw/zinc/31/52/06/746315206.db2.gz RAKFDPAWBNYTHI-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001194266646 746325827 /nfs/dbraw/zinc/32/58/27/746325827.db2.gz XNTSFSIZXJAXSV-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266646 746325833 /nfs/dbraw/zinc/32/58/33/746325833.db2.gz XNTSFSIZXJAXSV-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001194266646 746325840 /nfs/dbraw/zinc/32/58/40/746325840.db2.gz XNTSFSIZXJAXSV-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449643 746375183 /nfs/dbraw/zinc/37/51/83/746375183.db2.gz WEZUYLPHNBQHHH-QGZVFWFLSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449643 746375190 /nfs/dbraw/zinc/37/51/90/746375190.db2.gz WEZUYLPHNBQHHH-QGZVFWFLSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449643 746375194 /nfs/dbraw/zinc/37/51/94/746375194.db2.gz WEZUYLPHNBQHHH-QGZVFWFLSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449643 746375200 /nfs/dbraw/zinc/37/52/00/746375200.db2.gz WEZUYLPHNBQHHH-QGZVFWFLSA-N 2 1 301.434 1.837 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926977 746504899 /nfs/dbraw/zinc/50/48/99/746504899.db2.gz WOZGMCIHBUOOAF-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046926977 746504901 /nfs/dbraw/zinc/50/49/01/746504901.db2.gz WOZGMCIHBUOOAF-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046926977 746504904 /nfs/dbraw/zinc/50/49/04/746504904.db2.gz WOZGMCIHBUOOAF-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001046926977 746504908 /nfs/dbraw/zinc/50/49/08/746504908.db2.gz WOZGMCIHBUOOAF-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195829626 746720223 /nfs/dbraw/zinc/72/02/23/746720223.db2.gz RPHNOBNIOHEVQZ-IAGOWNOFSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001196123683 746786019 /nfs/dbraw/zinc/78/60/19/746786019.db2.gz TZPPAPKERMTAIT-OWCLPIDISA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001196155666 746789218 /nfs/dbraw/zinc/78/92/18/746789218.db2.gz QHVDPTNPWDXJSK-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001003229462 747065069 /nfs/dbraw/zinc/06/50/69/747065069.db2.gz GVWOAAMRHLFPSX-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001198244290 747425618 /nfs/dbraw/zinc/42/56/18/747425618.db2.gz WHADGTFZCWVAJB-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001199071404 747692755 /nfs/dbraw/zinc/69/27/55/747692755.db2.gz UZGNBQKJTFMIBH-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000998771510 752225822 /nfs/dbraw/zinc/22/58/22/752225822.db2.gz XDURVFHTURKZHK-KLHKWILBSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201420577 748509101 /nfs/dbraw/zinc/50/91/01/748509101.db2.gz LUWPYXQLBZNRQE-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004548101 748540202 /nfs/dbraw/zinc/54/02/02/748540202.db2.gz PVQSQENWUDSDFN-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004548101 748540206 /nfs/dbraw/zinc/54/02/06/748540206.db2.gz PVQSQENWUDSDFN-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033203805 748906203 /nfs/dbraw/zinc/90/62/03/748906203.db2.gz SZEOGXUDGQTRSX-GOEBONIOSA-N 2 1 302.422 1.554 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001110719367 748936928 /nfs/dbraw/zinc/93/69/28/748936928.db2.gz QHLFNDSEUUDDAQ-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001110719367 748936930 /nfs/dbraw/zinc/93/69/30/748936930.db2.gz QHLFNDSEUUDDAQ-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110719367 748936934 /nfs/dbraw/zinc/93/69/34/748936934.db2.gz QHLFNDSEUUDDAQ-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001110719367 748936936 /nfs/dbraw/zinc/93/69/36/748936936.db2.gz QHLFNDSEUUDDAQ-NCOADZHNSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033416547 749315070 /nfs/dbraw/zinc/31/50/70/749315070.db2.gz QHHDPNMWHSKNJJ-PBHICJAKSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033416547 749315072 /nfs/dbraw/zinc/31/50/72/749315072.db2.gz QHHDPNMWHSKNJJ-PBHICJAKSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033416547 749315074 /nfs/dbraw/zinc/31/50/74/749315074.db2.gz QHHDPNMWHSKNJJ-PBHICJAKSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033416547 749315075 /nfs/dbraw/zinc/31/50/75/749315075.db2.gz QHHDPNMWHSKNJJ-PBHICJAKSA-N 2 1 309.429 1.365 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996203465 749434721 /nfs/dbraw/zinc/43/47/21/749434721.db2.gz HUJNMKJTLDPQFL-GDBMZVCRSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001033677402 749703864 /nfs/dbraw/zinc/70/38/64/749703864.db2.gz BCCJWPNGQAXCFK-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001033677402 749703874 /nfs/dbraw/zinc/70/38/74/749703874.db2.gz BCCJWPNGQAXCFK-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033677402 749703880 /nfs/dbraw/zinc/70/38/80/749703880.db2.gz BCCJWPNGQAXCFK-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001033677402 749703884 /nfs/dbraw/zinc/70/38/84/749703884.db2.gz BCCJWPNGQAXCFK-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001095498788 749973012 /nfs/dbraw/zinc/97/30/12/749973012.db2.gz DUBSOPOKPQTNLQ-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001095498788 749973017 /nfs/dbraw/zinc/97/30/17/749973017.db2.gz DUBSOPOKPQTNLQ-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001095498788 749973022 /nfs/dbraw/zinc/97/30/22/749973022.db2.gz DUBSOPOKPQTNLQ-LTIDMASMSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095534057 750020165 /nfs/dbraw/zinc/02/01/65/750020165.db2.gz YHVBLHFNKRUSRP-OWSLCNJRSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095534057 750020171 /nfs/dbraw/zinc/02/01/71/750020171.db2.gz YHVBLHFNKRUSRP-OWSLCNJRSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C2 ZINC001095534057 750020180 /nfs/dbraw/zinc/02/01/80/750020180.db2.gz YHVBLHFNKRUSRP-OWSLCNJRSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C2 ZINC001095534057 750020187 /nfs/dbraw/zinc/02/01/87/750020187.db2.gz YHVBLHFNKRUSRP-OWSLCNJRSA-N 2 1 315.461 1.748 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C2 ZINC001095534057 750020192 /nfs/dbraw/zinc/02/01/92/750020192.db2.gz YHVBLHFNKRUSRP-OWSLCNJRSA-N 2 1 315.461 1.748 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039437458 762032361 /nfs/dbraw/zinc/03/23/61/762032361.db2.gz LOTXINUHIVFHSX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437458 762032370 /nfs/dbraw/zinc/03/23/70/762032370.db2.gz LOTXINUHIVFHSX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001039437458 762032379 /nfs/dbraw/zinc/03/23/79/762032379.db2.gz LOTXINUHIVFHSX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039473812 762063233 /nfs/dbraw/zinc/06/32/33/762063233.db2.gz DNBWGJVFIWQFOR-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473812 762063244 /nfs/dbraw/zinc/06/32/44/762063244.db2.gz DNBWGJVFIWQFOR-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473812 762063255 /nfs/dbraw/zinc/06/32/55/762063255.db2.gz DNBWGJVFIWQFOR-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032540021 751226089 /nfs/dbraw/zinc/22/60/89/751226089.db2.gz NPIVINCFLJZABM-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032540021 751226093 /nfs/dbraw/zinc/22/60/93/751226093.db2.gz NPIVINCFLJZABM-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]cnc1C)CC2 ZINC001035249786 751331047 /nfs/dbraw/zinc/33/10/47/751331047.db2.gz DHRISEPFNUBUCT-UHFFFAOYSA-N 2 1 314.433 1.598 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=C)Cl)C1 ZINC000998922561 752362500 /nfs/dbraw/zinc/36/25/00/752362500.db2.gz JIGXBMXVVQYEJC-NRXISQOPSA-N 2 1 309.841 1.416 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=C)Cl)C1 ZINC000998922561 752362507 /nfs/dbraw/zinc/36/25/07/752362507.db2.gz JIGXBMXVVQYEJC-NRXISQOPSA-N 2 1 309.841 1.416 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000715554 762124800 /nfs/dbraw/zinc/12/48/00/762124800.db2.gz SKLSKAXKJWLMGV-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715554 762124801 /nfs/dbraw/zinc/12/48/01/762124801.db2.gz SKLSKAXKJWLMGV-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715554 762124804 /nfs/dbraw/zinc/12/48/04/762124804.db2.gz SKLSKAXKJWLMGV-IAGOWNOFSA-N 2 1 319.449 1.174 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620984 752542895 /nfs/dbraw/zinc/54/28/95/752542895.db2.gz GQAWDXRALZFQOS-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620984 752542900 /nfs/dbraw/zinc/54/29/00/752542900.db2.gz GQAWDXRALZFQOS-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620984 752542902 /nfs/dbraw/zinc/54/29/02/752542902.db2.gz GQAWDXRALZFQOS-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620984 752542908 /nfs/dbraw/zinc/54/29/08/752542908.db2.gz GQAWDXRALZFQOS-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999165634 752592488 /nfs/dbraw/zinc/59/24/88/752592488.db2.gz UIZNWDFDTPMKDG-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2CN(C)C)C1 ZINC001008341216 752682166 /nfs/dbraw/zinc/68/21/66/752682166.db2.gz IMGPCTUYZOSVIO-OAHLLOKOSA-N 2 1 303.406 1.559 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008341216 752682173 /nfs/dbraw/zinc/68/21/73/752682173.db2.gz IMGPCTUYZOSVIO-OAHLLOKOSA-N 2 1 303.406 1.559 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=C)Cl)C1 ZINC000999400661 752877277 /nfs/dbraw/zinc/87/72/77/752877277.db2.gz VHGPIPLNQGIKNZ-CABCVRRESA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=C)Cl)C1 ZINC000999400661 752877283 /nfs/dbraw/zinc/87/72/83/752877283.db2.gz VHGPIPLNQGIKNZ-CABCVRRESA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001009628590 753288814 /nfs/dbraw/zinc/28/88/14/753288814.db2.gz QERWYJCMJJXUCM-SJLPKXTDSA-N 2 1 319.493 1.958 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001010368753 753819040 /nfs/dbraw/zinc/81/90/40/753819040.db2.gz GYBNPYYBVMBDEC-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001010368753 753819044 /nfs/dbraw/zinc/81/90/44/753819044.db2.gz GYBNPYYBVMBDEC-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001010368753 753819049 /nfs/dbraw/zinc/81/90/49/753819049.db2.gz GYBNPYYBVMBDEC-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001010368753 753819053 /nfs/dbraw/zinc/81/90/53/753819053.db2.gz GYBNPYYBVMBDEC-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803955 754119743 /nfs/dbraw/zinc/11/97/43/754119743.db2.gz RDDYDAGHLYDSJH-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803955 754119744 /nfs/dbraw/zinc/11/97/44/754119744.db2.gz RDDYDAGHLYDSJH-ULQDDVLXSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001924626 754582997 /nfs/dbraw/zinc/58/29/97/754582997.db2.gz LYEVKIABVNUDJE-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](O)C1 ZINC001090308891 754835940 /nfs/dbraw/zinc/83/59/40/754835940.db2.gz YTGMLWBXFZVYOH-ZIAGYGMSSA-N 2 1 323.462 1.161 20 30 DDEDMP C=CCNC(=[NH2+])NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001118351256 755340489 /nfs/dbraw/zinc/34/04/89/755340489.db2.gz ZCSAVNPUJJMWRJ-UHFFFAOYSA-N 2 1 301.438 1.234 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2C)CC1 ZINC001080997747 756180808 /nfs/dbraw/zinc/18/08/08/756180808.db2.gz KAVOBRRBWPCAFZ-JFIYKMOQSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799615 756483749 /nfs/dbraw/zinc/48/37/49/756483749.db2.gz WZPSNZPFMSZMNU-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799615 756483751 /nfs/dbraw/zinc/48/37/51/756483751.db2.gz WZPSNZPFMSZMNU-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799615 756483754 /nfs/dbraw/zinc/48/37/54/756483754.db2.gz WZPSNZPFMSZMNU-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001081840955 756510265 /nfs/dbraw/zinc/51/02/65/756510265.db2.gz YXKVMUOGDGCWTP-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137963 756650295 /nfs/dbraw/zinc/65/02/95/756650295.db2.gz JIIMQDCTQSDVRG-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137963 756650299 /nfs/dbraw/zinc/65/02/99/756650299.db2.gz JIIMQDCTQSDVRG-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](OC)C1 ZINC001082137963 756650300 /nfs/dbraw/zinc/65/03/00/756650300.db2.gz JIIMQDCTQSDVRG-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082199047 756673346 /nfs/dbraw/zinc/67/33/46/756673346.db2.gz YHGCKSMDYCDSJI-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015969969 756686145 /nfs/dbraw/zinc/68/61/45/756686145.db2.gz FDTJCVXSLNOFLX-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254767 756874791 /nfs/dbraw/zinc/87/47/91/756874791.db2.gz KKHKOWGUMXPKHH-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254767 756874798 /nfs/dbraw/zinc/87/47/98/756874798.db2.gz KKHKOWGUMXPKHH-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254767 756874803 /nfs/dbraw/zinc/87/48/03/756874803.db2.gz KKHKOWGUMXPKHH-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040369311 762510205 /nfs/dbraw/zinc/51/02/05/762510205.db2.gz OJKZQEWYJVQIPM-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631783 757220278 /nfs/dbraw/zinc/22/02/78/757220278.db2.gz YQUJGHFCLMJZGL-ARFHVFGLSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016793366 757357992 /nfs/dbraw/zinc/35/79/92/757357992.db2.gz KQZZJBBWOWWLHD-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454086 757363364 /nfs/dbraw/zinc/36/33/64/757363364.db2.gz KMWMLYTZIXQNTM-ZACQAIPSSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985545 757531710 /nfs/dbraw/zinc/53/17/10/757531710.db2.gz KHSBLEYWXNZUDV-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985545 757531716 /nfs/dbraw/zinc/53/17/16/757531716.db2.gz KHSBLEYWXNZUDV-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406008 757564171 /nfs/dbraw/zinc/56/41/71/757564171.db2.gz CFQJRLMLBNNJDM-OWCLPIDISA-N 2 1 314.433 1.869 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406008 757564175 /nfs/dbraw/zinc/56/41/75/757564175.db2.gz CFQJRLMLBNNJDM-OWCLPIDISA-N 2 1 314.433 1.869 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662991 757752409 /nfs/dbraw/zinc/75/24/09/757752409.db2.gz GVZDDCRZZXIUGR-RKVPGOIHSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662991 757752412 /nfs/dbraw/zinc/75/24/12/757752412.db2.gz GVZDDCRZZXIUGR-RKVPGOIHSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662991 757752414 /nfs/dbraw/zinc/75/24/14/757752414.db2.gz GVZDDCRZZXIUGR-RKVPGOIHSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084662991 757752418 /nfs/dbraw/zinc/75/24/18/757752418.db2.gz GVZDDCRZZXIUGR-RKVPGOIHSA-N 2 1 321.440 1.365 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040530134 762579599 /nfs/dbraw/zinc/57/95/99/762579599.db2.gz UTNIXYWOWXBYLQ-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040530134 762579603 /nfs/dbraw/zinc/57/96/03/762579603.db2.gz UTNIXYWOWXBYLQ-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040530134 762579607 /nfs/dbraw/zinc/57/96/07/762579607.db2.gz UTNIXYWOWXBYLQ-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001017552813 758020777 /nfs/dbraw/zinc/02/07/77/758020777.db2.gz IURDUHROTIVLTD-BBWFWOEESA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001017552813 758020789 /nfs/dbraw/zinc/02/07/89/758020789.db2.gz IURDUHROTIVLTD-BBWFWOEESA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001017552813 758020802 /nfs/dbraw/zinc/02/08/02/758020802.db2.gz IURDUHROTIVLTD-BBWFWOEESA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001017552813 758020813 /nfs/dbraw/zinc/02/08/13/758020813.db2.gz IURDUHROTIVLTD-BBWFWOEESA-N 2 1 303.450 1.558 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001084941455 758085902 /nfs/dbraw/zinc/08/59/02/758085902.db2.gz JLRFOVQPSIBZAT-ZACQAIPSSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2cncn2c1C ZINC001017689283 758155226 /nfs/dbraw/zinc/15/52/26/758155226.db2.gz OLWNTQIFTCTZAO-IYBDPMFKSA-N 2 1 308.385 1.565 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031290 758490924 /nfs/dbraw/zinc/49/09/24/758490924.db2.gz CVTNGUOYMVQARE-CALCHBBNSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153441 759235407 /nfs/dbraw/zinc/23/54/07/759235407.db2.gz QXVSCSCXMOZANS-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153441 759235412 /nfs/dbraw/zinc/23/54/12/759235412.db2.gz QXVSCSCXMOZANS-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153441 759235418 /nfs/dbraw/zinc/23/54/18/759235418.db2.gz QXVSCSCXMOZANS-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001054239030 759328501 /nfs/dbraw/zinc/32/85/01/759328501.db2.gz DCTMQOQEULBOEW-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001054259343 759360468 /nfs/dbraw/zinc/36/04/68/759360468.db2.gz VPMMKOWARWEWIK-GOSISDBHSA-N 2 1 311.429 1.736 20 30 DDEDMP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259343 759360479 /nfs/dbraw/zinc/36/04/79/759360479.db2.gz VPMMKOWARWEWIK-GOSISDBHSA-N 2 1 311.429 1.736 20 30 DDEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001054259343 759360489 /nfs/dbraw/zinc/36/04/89/759360489.db2.gz VPMMKOWARWEWIK-GOSISDBHSA-N 2 1 311.429 1.736 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001046739762 767873069 /nfs/dbraw/zinc/87/30/69/767873069.db2.gz VKTGGOHCSURTAG-GOSISDBHSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760468 767898917 /nfs/dbraw/zinc/89/89/17/767898917.db2.gz HKFLXUFENDAMRM-IBGZPJMESA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788621 760244089 /nfs/dbraw/zinc/24/40/89/760244089.db2.gz ONPQNLQDFXNHOY-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788621 760244094 /nfs/dbraw/zinc/24/40/94/760244094.db2.gz ONPQNLQDFXNHOY-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001108216394 760419060 /nfs/dbraw/zinc/41/90/60/760419060.db2.gz YNFZGXJNNPWALP-SFHVURJKSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001046852849 767984838 /nfs/dbraw/zinc/98/48/38/767984838.db2.gz QILIXOIOJUYXSV-IBGZPJMESA-N 2 1 313.445 1.966 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038646497 761246713 /nfs/dbraw/zinc/24/67/13/761246713.db2.gz PTYIKVOBFMIHQP-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038646497 761246719 /nfs/dbraw/zinc/24/67/19/761246719.db2.gz PTYIKVOBFMIHQP-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001006297696 761427809 /nfs/dbraw/zinc/42/78/09/761427809.db2.gz QKGCJWDHURPHDO-UHFFFAOYSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100072577 761504548 /nfs/dbraw/zinc/50/45/48/761504548.db2.gz XROZVPKKCLJOPU-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100072577 761504552 /nfs/dbraw/zinc/50/45/52/761504552.db2.gz XROZVPKKCLJOPU-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001039225909 761860257 /nfs/dbraw/zinc/86/02/57/761860257.db2.gz SEOLICAODCEZCC-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041339432 762966207 /nfs/dbraw/zinc/96/62/07/762966207.db2.gz OACQONQLDARPOF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339432 762966209 /nfs/dbraw/zinc/96/62/09/762966209.db2.gz OACQONQLDARPOF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041339432 762966213 /nfs/dbraw/zinc/96/62/13/762966213.db2.gz OACQONQLDARPOF-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041342608 762967508 /nfs/dbraw/zinc/96/75/08/762967508.db2.gz FJXYSLVPGKUXHM-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342608 762967512 /nfs/dbraw/zinc/96/75/12/762967512.db2.gz FJXYSLVPGKUXHM-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342608 762967518 /nfs/dbraw/zinc/96/75/18/762967518.db2.gz FJXYSLVPGKUXHM-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C(C)C)C2 ZINC001108832225 762970850 /nfs/dbraw/zinc/97/08/50/762970850.db2.gz PXPDLQNYFXYUDV-BBWFWOEESA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCC=C)C2)C1 ZINC001041369376 762983811 /nfs/dbraw/zinc/98/38/11/762983811.db2.gz ZFCQNDRTQSMQSI-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCC=C)C2)C1 ZINC001041369376 762983814 /nfs/dbraw/zinc/98/38/14/762983814.db2.gz ZFCQNDRTQSMQSI-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC=C)C2)C1 ZINC001041369376 762983817 /nfs/dbraw/zinc/98/38/17/762983817.db2.gz ZFCQNDRTQSMQSI-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCC=C)C2)C1 ZINC001041369376 762983819 /nfs/dbraw/zinc/98/38/19/762983819.db2.gz ZFCQNDRTQSMQSI-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001050080196 763104299 /nfs/dbraw/zinc/10/42/99/763104299.db2.gz AGUQJZRSAONUJY-MAUKXSAKSA-N 2 1 322.412 1.812 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041673735 763212578 /nfs/dbraw/zinc/21/25/78/763212578.db2.gz DDPNWZJEDCRRCH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846010 763402599 /nfs/dbraw/zinc/40/25/99/763402599.db2.gz VBFWNZHFXPVQBA-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846010 763402607 /nfs/dbraw/zinc/40/26/07/763402607.db2.gz VBFWNZHFXPVQBA-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846010 763402611 /nfs/dbraw/zinc/40/26/11/763402611.db2.gz VBFWNZHFXPVQBA-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001109464270 763733711 /nfs/dbraw/zinc/73/37/11/763733711.db2.gz UDQXCRCEZREGLE-PMPSAXMXSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464270 763733717 /nfs/dbraw/zinc/73/37/17/763733717.db2.gz UDQXCRCEZREGLE-PMPSAXMXSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001109464270 763733719 /nfs/dbraw/zinc/73/37/19/763733719.db2.gz UDQXCRCEZREGLE-PMPSAXMXSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001044166647 765358985 /nfs/dbraw/zinc/35/89/85/765358985.db2.gz WQGRGHKRGPHFRQ-UHFFFAOYSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045980236 766757571 /nfs/dbraw/zinc/75/75/71/766757571.db2.gz VCHQEYYOWGXSFC-GOSISDBHSA-N 2 1 317.477 1.973 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304403 766867590 /nfs/dbraw/zinc/86/75/90/766867590.db2.gz QGMAVAMCCLJEMW-OIPACUDHSA-N 2 1 314.433 1.466 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114304403 766867601 /nfs/dbraw/zinc/86/76/01/766867601.db2.gz QGMAVAMCCLJEMW-OIPACUDHSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001129775397 767000481 /nfs/dbraw/zinc/00/04/81/767000481.db2.gz MPIVCUWQCIKNRL-KRWDZBQOSA-N 2 1 317.408 1.460 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CF)cc1 ZINC001129775397 767000490 /nfs/dbraw/zinc/00/04/90/767000490.db2.gz MPIVCUWQCIKNRL-KRWDZBQOSA-N 2 1 317.408 1.460 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](O)C1 ZINC001090491271 767675828 /nfs/dbraw/zinc/67/58/28/767675828.db2.gz YYYWMOQZFMVWRR-JKSUJKDBSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377535 768795294 /nfs/dbraw/zinc/79/52/94/768795294.db2.gz YFHXKQJJURQRMN-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406426 768810439 /nfs/dbraw/zinc/81/04/39/768810439.db2.gz ISRDMAGNPCTUBG-JKSUJKDBSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048528376 769497300 /nfs/dbraw/zinc/49/73/00/769497300.db2.gz WHUBPQRQTPWFED-NQNKBUKLSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528376 769497302 /nfs/dbraw/zinc/49/73/02/769497302.db2.gz WHUBPQRQTPWFED-NQNKBUKLSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048528376 769497311 /nfs/dbraw/zinc/49/73/11/769497311.db2.gz WHUBPQRQTPWFED-NQNKBUKLSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863912 770010955 /nfs/dbraw/zinc/01/09/55/770010955.db2.gz PKOMULNWMUIMGV-OWCLPIDISA-N 2 1 312.417 1.174 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863912 770010966 /nfs/dbraw/zinc/01/09/66/770010966.db2.gz PKOMULNWMUIMGV-OWCLPIDISA-N 2 1 312.417 1.174 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059496 770307189 /nfs/dbraw/zinc/30/71/89/770307189.db2.gz RQWCCJKISTZARU-YUELXQCFSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059496 770307195 /nfs/dbraw/zinc/30/71/95/770307195.db2.gz RQWCCJKISTZARU-YUELXQCFSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@H]2C1 ZINC001049059496 770307205 /nfs/dbraw/zinc/30/72/05/770307205.db2.gz RQWCCJKISTZARU-YUELXQCFSA-N 2 1 311.857 1.471 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478930 770909327 /nfs/dbraw/zinc/90/93/27/770909327.db2.gz VNZKHPOODYCRAE-IRXDYDNUSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480996 770910112 /nfs/dbraw/zinc/91/01/12/770910112.db2.gz HGTHISXNGHUSKB-HZMVEIRTSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480996 770910115 /nfs/dbraw/zinc/91/01/15/770910115.db2.gz HGTHISXNGHUSKB-HZMVEIRTSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480996 770910120 /nfs/dbraw/zinc/91/01/20/770910120.db2.gz HGTHISXNGHUSKB-HZMVEIRTSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688108 771087658 /nfs/dbraw/zinc/08/76/58/771087658.db2.gz QRWFFNHYDJYDQT-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134808610 771186950 /nfs/dbraw/zinc/18/69/50/771186950.db2.gz KGACEZKGWKLSDO-QWHCGFSZSA-N 2 1 306.410 1.246 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063139 771603084 /nfs/dbraw/zinc/60/30/84/771603084.db2.gz HWFUDKKGTXRBEI-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063139 771603085 /nfs/dbraw/zinc/60/30/85/771603085.db2.gz HWFUDKKGTXRBEI-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097063139 771603088 /nfs/dbraw/zinc/60/30/88/771603088.db2.gz HWFUDKKGTXRBEI-NCOADZHNSA-N 2 1 303.450 1.604 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001171255005 772736324 /nfs/dbraw/zinc/73/63/24/772736324.db2.gz XRIUSHZIHBVLHZ-MRXNPFEDSA-N 2 1 323.481 1.385 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@]2(C)C1 ZINC001091564989 772884590 /nfs/dbraw/zinc/88/45/90/772884590.db2.gz BSCBXNUHADHNGI-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@]2(C)C1 ZINC001091564989 772884592 /nfs/dbraw/zinc/88/45/92/772884592.db2.gz BSCBXNUHADHNGI-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091564989 772884593 /nfs/dbraw/zinc/88/45/93/772884593.db2.gz BSCBXNUHADHNGI-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@]2(C)C1 ZINC001091564989 772884595 /nfs/dbraw/zinc/88/45/95/772884595.db2.gz BSCBXNUHADHNGI-RYRKJORJSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706501 772922713 /nfs/dbraw/zinc/92/27/13/772922713.db2.gz FXCUOZIGFOWECR-CVEARBPZSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706501 772922715 /nfs/dbraw/zinc/92/27/15/772922715.db2.gz FXCUOZIGFOWECR-CVEARBPZSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC=C ZINC001171308706 773159642 /nfs/dbraw/zinc/15/96/42/773159642.db2.gz VILCNYJCCLQOIP-SJORKVTESA-N 2 1 305.466 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CCC=C ZINC001171308706 773159645 /nfs/dbraw/zinc/15/96/45/773159645.db2.gz VILCNYJCCLQOIP-SJORKVTESA-N 2 1 305.466 1.925 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627500 773236946 /nfs/dbraw/zinc/23/69/46/773236946.db2.gz XEWFIHFACMOATR-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627500 773236951 /nfs/dbraw/zinc/23/69/51/773236951.db2.gz XEWFIHFACMOATR-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627500 773236956 /nfs/dbraw/zinc/23/69/56/773236956.db2.gz XEWFIHFACMOATR-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001148444734 773486966 /nfs/dbraw/zinc/48/69/66/773486966.db2.gz FMMMLSBEZAEXFL-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001148444734 773486969 /nfs/dbraw/zinc/48/69/69/773486969.db2.gz FMMMLSBEZAEXFL-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203577 774005114 /nfs/dbraw/zinc/00/51/14/774005114.db2.gz DIQNGDHCJGSJDF-KDOFPFPSSA-N 2 1 314.433 1.728 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001092203577 774005119 /nfs/dbraw/zinc/00/51/19/774005119.db2.gz DIQNGDHCJGSJDF-KDOFPFPSSA-N 2 1 314.433 1.728 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001098835065 774689641 /nfs/dbraw/zinc/68/96/41/774689641.db2.gz IZDGTGGLPKKRHA-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835065 774689644 /nfs/dbraw/zinc/68/96/44/774689644.db2.gz IZDGTGGLPKKRHA-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835065 774689647 /nfs/dbraw/zinc/68/96/47/774689647.db2.gz IZDGTGGLPKKRHA-LNLFQRSKSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139982 774862015 /nfs/dbraw/zinc/86/20/15/774862015.db2.gz MQKUKXUMIHNEBT-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099139982 774862023 /nfs/dbraw/zinc/86/20/23/774862023.db2.gz MQKUKXUMIHNEBT-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036871475 775009184 /nfs/dbraw/zinc/00/91/84/775009184.db2.gz MHPHMQSZYMRSIN-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899140 775397787 /nfs/dbraw/zinc/39/77/87/775397787.db2.gz NHTOSJNUFQUHQL-LSDHHAIUSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899140 775397792 /nfs/dbraw/zinc/39/77/92/775397792.db2.gz NHTOSJNUFQUHQL-LSDHHAIUSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899140 775397798 /nfs/dbraw/zinc/39/77/98/775397798.db2.gz NHTOSJNUFQUHQL-LSDHHAIUSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001100024158 775587055 /nfs/dbraw/zinc/58/70/55/775587055.db2.gz FHQSYSUFHCASCM-GJZGRUSLSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001100024158 775587061 /nfs/dbraw/zinc/58/70/61/775587061.db2.gz FHQSYSUFHCASCM-GJZGRUSLSA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384784 775834752 /nfs/dbraw/zinc/83/47/52/775834752.db2.gz JDBNCZIGSPUNJM-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384784 775834759 /nfs/dbraw/zinc/83/47/59/775834759.db2.gz JDBNCZIGSPUNJM-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384784 775834768 /nfs/dbraw/zinc/83/47/68/775834768.db2.gz JDBNCZIGSPUNJM-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384784 775834778 /nfs/dbraw/zinc/83/47/78/775834778.db2.gz JDBNCZIGSPUNJM-JFIYKMOQSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001100403662 776104660 /nfs/dbraw/zinc/10/46/60/776104660.db2.gz VDJUCAOJKOSBKI-CGZBRXJRSA-N 2 1 305.466 1.472 20 30 DDEDMP C[C@@H](C[NH3+])C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982273 776951812 /nfs/dbraw/zinc/95/18/12/776951812.db2.gz VUVCKNFMAUGOHK-MJBXVCDLSA-N 2 1 310.442 1.805 20 30 DDEDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982273 776951817 /nfs/dbraw/zinc/95/18/17/776951817.db2.gz VUVCKNFMAUGOHK-MJBXVCDLSA-N 2 1 310.442 1.805 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC(n3c[nH+]cc3CC[NH3+])CC2)cc1 ZINC001173420815 777165692 /nfs/dbraw/zinc/16/56/92/777165692.db2.gz FWULXKKICXZOHH-UHFFFAOYSA-N 2 1 323.400 1.733 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599943 778233094 /nfs/dbraw/zinc/23/30/94/778233094.db2.gz DZUIXVUAHWWVLF-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177079125 778431882 /nfs/dbraw/zinc/43/18/82/778431882.db2.gz AIYQDMAGDNGBGL-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177079125 778431889 /nfs/dbraw/zinc/43/18/89/778431889.db2.gz AIYQDMAGDNGBGL-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994084 778539742 /nfs/dbraw/zinc/53/97/42/778539742.db2.gz OQEXZQJFFKMKGW-KBAYOESNSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103364141 778820066 /nfs/dbraw/zinc/82/00/66/778820066.db2.gz CHLYQJULTUIGCG-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103364141 778820073 /nfs/dbraw/zinc/82/00/73/778820073.db2.gz CHLYQJULTUIGCG-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103364141 778820079 /nfs/dbraw/zinc/82/00/79/778820079.db2.gz CHLYQJULTUIGCG-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001178484355 779069363 /nfs/dbraw/zinc/06/93/63/779069363.db2.gz TWLGGQBHWFRTFI-SJORKVTESA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC001179824125 779513432 /nfs/dbraw/zinc/51/34/32/779513432.db2.gz SAMBQIWMLGGYSG-UHFFFAOYSA-N 2 1 304.438 1.871 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC001119310133 781401179 /nfs/dbraw/zinc/40/11/79/781401179.db2.gz WCYCFDHJPWIZHC-PMPSAXMXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC001119310133 781401187 /nfs/dbraw/zinc/40/11/87/781401187.db2.gz WCYCFDHJPWIZHC-PMPSAXMXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC001119310133 781401195 /nfs/dbraw/zinc/40/11/95/781401195.db2.gz WCYCFDHJPWIZHC-PMPSAXMXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC001119310133 781401199 /nfs/dbraw/zinc/40/11/99/781401199.db2.gz WCYCFDHJPWIZHC-PMPSAXMXSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001266473001 836316219 /nfs/dbraw/zinc/31/62/19/836316219.db2.gz UNBYWIYLRCMZOO-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267420168 838011790 /nfs/dbraw/zinc/01/17/90/838011790.db2.gz WQOWOCVDXVRERP-CYBMUJFWSA-N 2 1 310.829 1.554 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267558005 838302524 /nfs/dbraw/zinc/30/25/24/838302524.db2.gz QHAUBVOIGLWHPR-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267558005 838302532 /nfs/dbraw/zinc/30/25/32/838302532.db2.gz QHAUBVOIGLWHPR-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267558005 838302538 /nfs/dbraw/zinc/30/25/38/838302538.db2.gz QHAUBVOIGLWHPR-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC001267790817 838985215 /nfs/dbraw/zinc/98/52/15/838985215.db2.gz MQORSEGAEQVSMO-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001267790817 838985218 /nfs/dbraw/zinc/98/52/18/838985218.db2.gz MQORSEGAEQVSMO-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001267790817 838985222 /nfs/dbraw/zinc/98/52/22/838985222.db2.gz MQORSEGAEQVSMO-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CC#CCOC)C1 ZINC001267790817 838985224 /nfs/dbraw/zinc/98/52/24/838985224.db2.gz MQORSEGAEQVSMO-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267971118 839295336 /nfs/dbraw/zinc/29/53/36/839295336.db2.gz ZNPKQIMHGFNUED-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH2+]CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001268499271 840312035 /nfs/dbraw/zinc/31/20/35/840312035.db2.gz IFPVOKNFQSXCDG-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001269331934 841528395 /nfs/dbraw/zinc/52/83/95/841528395.db2.gz PMFUIIHDNAQMHY-HZPDHXFCSA-N 2 1 311.445 1.612 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001269331934 841528404 /nfs/dbraw/zinc/52/84/04/841528404.db2.gz PMFUIIHDNAQMHY-HZPDHXFCSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cnoc1C ZINC001269417944 841627347 /nfs/dbraw/zinc/62/73/47/841627347.db2.gz UBZJAIWGJIHNKD-CVEARBPZSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cnoc1C ZINC001269417944 841627351 /nfs/dbraw/zinc/62/73/51/841627351.db2.gz UBZJAIWGJIHNKD-CVEARBPZSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001269553481 841759994 /nfs/dbraw/zinc/75/99/94/841759994.db2.gz UKBLLRLUSDFRGM-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001270295703 842464014 /nfs/dbraw/zinc/46/40/14/842464014.db2.gz FRRKICRTFAFTLK-NVXWUHKLSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001270297045 842464077 /nfs/dbraw/zinc/46/40/77/842464077.db2.gz ZXPDFKDAVUXEEM-NVXWUHKLSA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001326387749 861323912 /nfs/dbraw/zinc/32/39/12/861323912.db2.gz RPTCSXPEVIKCDF-QGZVFWFLSA-N 2 1 323.481 1.503 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001271099459 843213731 /nfs/dbraw/zinc/21/37/31/843213731.db2.gz DALHNBMPOICTSK-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001271099459 843213743 /nfs/dbraw/zinc/21/37/43/843213743.db2.gz DALHNBMPOICTSK-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001409483938 845160089 /nfs/dbraw/zinc/16/00/89/845160089.db2.gz ZUZNJYGEWJOMRR-QWHCGFSZSA-N 2 1 322.478 1.943 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001272311591 846024186 /nfs/dbraw/zinc/02/41/86/846024186.db2.gz MMUPSWBMOQSCIW-JKSUJKDBSA-N 2 1 316.449 1.904 20 30 DDEDMP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001272503460 846230219 /nfs/dbraw/zinc/23/02/19/846230219.db2.gz DCOKEDCVFOLLKY-IAGOWNOFSA-N 2 1 323.481 1.426 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001327036484 861819032 /nfs/dbraw/zinc/81/90/32/861819032.db2.gz UIBVJRXOKPFJKP-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+]2CC2(C)CC[NH+](C)CC2)C1=O ZINC001273101688 847909699 /nfs/dbraw/zinc/90/96/99/847909699.db2.gz ZNUYEWPOENJPAP-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034216444 848123197 /nfs/dbraw/zinc/12/31/97/848123197.db2.gz HBMBJIVEIYGNGR-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216444 848123208 /nfs/dbraw/zinc/12/32/08/848123208.db2.gz HBMBJIVEIYGNGR-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034216444 848123213 /nfs/dbraw/zinc/12/32/13/848123213.db2.gz HBMBJIVEIYGNGR-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238742 848165442 /nfs/dbraw/zinc/16/54/42/848165442.db2.gz MILAEJUYIMITMK-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238742 848165449 /nfs/dbraw/zinc/16/54/49/848165449.db2.gz MILAEJUYIMITMK-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238742 848165458 /nfs/dbraw/zinc/16/54/58/848165458.db2.gz MILAEJUYIMITMK-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCNC(=O)[C@H]1CC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001273144384 848566167 /nfs/dbraw/zinc/56/61/67/848566167.db2.gz PQJNEIYJNVTEAE-HZPDHXFCSA-N 2 1 303.450 1.180 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149863283 861952190 /nfs/dbraw/zinc/95/21/90/861952190.db2.gz ZSWLFNRCZBBQLZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863283 861952204 /nfs/dbraw/zinc/95/22/04/861952204.db2.gz ZSWLFNRCZBBQLZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149863283 861952212 /nfs/dbraw/zinc/95/22/12/861952212.db2.gz ZSWLFNRCZBBQLZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001411135030 850271445 /nfs/dbraw/zinc/27/14/45/850271445.db2.gz XSTZCARSGMSCEA-ZDUSSCGKSA-N 2 1 301.862 1.907 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCc2nccn2C)CC1 ZINC001273437129 850408622 /nfs/dbraw/zinc/40/86/22/850408622.db2.gz IXHATSYGWWEZFV-OAHLLOKOSA-N 2 1 302.422 1.347 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001273723573 851275063 /nfs/dbraw/zinc/27/50/63/851275063.db2.gz MHJGHZSBWTXXMP-HUUCEWRRSA-N 2 1 309.454 1.108 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC001275597355 853414726 /nfs/dbraw/zinc/41/47/26/853414726.db2.gz KJVXUHKOHIARDX-KDOFPFPSSA-N 2 1 316.424 1.765 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC001275597355 853414736 /nfs/dbraw/zinc/41/47/36/853414736.db2.gz KJVXUHKOHIARDX-KDOFPFPSSA-N 2 1 316.424 1.765 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)CCC)CCO2 ZINC001327336321 855210605 /nfs/dbraw/zinc/21/06/05/855210605.db2.gz WMMKKWHBGOTPCO-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001327336321 855210611 /nfs/dbraw/zinc/21/06/11/855210611.db2.gz WMMKKWHBGOTPCO-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001049563478 856980855 /nfs/dbraw/zinc/98/08/55/856980855.db2.gz BXFNKPSVHFSJSA-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563478 856980861 /nfs/dbraw/zinc/98/08/61/856980861.db2.gz BXFNKPSVHFSJSA-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001049563478 856980864 /nfs/dbraw/zinc/98/08/64/856980864.db2.gz BXFNKPSVHFSJSA-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569315 856990737 /nfs/dbraw/zinc/99/07/37/856990737.db2.gz YKWMNQHSGVAFCC-CVEARBPZSA-N 2 1 303.450 1.866 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073125530 858121823 /nfs/dbraw/zinc/12/18/23/858121823.db2.gz AAVYCFQKSHGVJH-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001073125530 858121826 /nfs/dbraw/zinc/12/18/26/858121826.db2.gz AAVYCFQKSHGVJH-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073125530 858121829 /nfs/dbraw/zinc/12/18/29/858121829.db2.gz AAVYCFQKSHGVJH-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001073125530 858121833 /nfs/dbraw/zinc/12/18/33/858121833.db2.gz AAVYCFQKSHGVJH-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457354 858353872 /nfs/dbraw/zinc/35/38/72/858353872.db2.gz MJLBDJASHUDWPO-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1cccc(OCC[NH+](CC)CC)c1 ZINC001122344260 858767383 /nfs/dbraw/zinc/76/73/83/858767383.db2.gz FQUSZVYWRBBPNU-UHFFFAOYSA-N 2 1 303.406 1.569 20 30 DDEDMP C#CC[NH2+]CC1CC(NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001328892029 863314301 /nfs/dbraw/zinc/31/43/01/863314301.db2.gz BUINNPOFQNLMMW-UHFFFAOYSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001329202906 863534933 /nfs/dbraw/zinc/53/49/33/863534933.db2.gz OVUCOGJAPGGHFE-CVEARBPZSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329202906 863534943 /nfs/dbraw/zinc/53/49/43/863534943.db2.gz OVUCOGJAPGGHFE-CVEARBPZSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)N(C)C ZINC001157153273 863614488 /nfs/dbraw/zinc/61/44/88/863614488.db2.gz GNWPAUUXLSHZHI-ZBFHGGJFSA-N 2 1 302.422 1.144 20 30 DDEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329488841 863694839 /nfs/dbraw/zinc/69/48/39/863694839.db2.gz OLJVFONMJBRBFY-AWEZNQCLSA-N 2 1 313.405 1.894 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2CC(C)C2)CC1 ZINC001329623120 863757221 /nfs/dbraw/zinc/75/72/21/863757221.db2.gz HUTNMSCONPNJII-CGZBRXJRSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001329936748 863956811 /nfs/dbraw/zinc/95/68/11/863956811.db2.gz MJJQTPNMIUKYPV-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001329936748 863956820 /nfs/dbraw/zinc/95/68/20/863956820.db2.gz MJJQTPNMIUKYPV-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157965282 864314309 /nfs/dbraw/zinc/31/43/09/864314309.db2.gz XFCLIRUPYPTKNL-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001158354262 864595796 /nfs/dbraw/zinc/59/57/96/864595796.db2.gz GNWORVJRAIEKND-HNNXBMFYSA-N 2 1 322.453 1.695 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001331296833 864994870 /nfs/dbraw/zinc/99/48/70/864994870.db2.gz QGPBQHCYOBSPON-ZWKOTPCHSA-N 2 1 319.493 1.957 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001332118020 865589847 /nfs/dbraw/zinc/58/98/47/865589847.db2.gz NEDCJAXQTCNQCD-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001332118020 865589852 /nfs/dbraw/zinc/58/98/52/865589852.db2.gz NEDCJAXQTCNQCD-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001332118020 865589866 /nfs/dbraw/zinc/58/98/66/865589866.db2.gz NEDCJAXQTCNQCD-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C[N@@H+](CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1)C1CCC1 ZINC001159992481 865633711 /nfs/dbraw/zinc/63/37/11/865633711.db2.gz KWZYXBDBZCNBJV-UHFFFAOYSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285587 865762999 /nfs/dbraw/zinc/76/29/99/865762999.db2.gz IOPOZBVZJOLDEB-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285587 865763008 /nfs/dbraw/zinc/76/30/08/865763008.db2.gz IOPOZBVZJOLDEB-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001160285587 865763017 /nfs/dbraw/zinc/76/30/17/865763017.db2.gz IOPOZBVZJOLDEB-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP N#Cc1c2c(cnc1N[C@]1(C[NH3+])C[NH+]3CCC1CC3)CCCC2 ZINC001160518859 865905683 /nfs/dbraw/zinc/90/56/83/865905683.db2.gz IQNIAAZUCIKGJB-GOSISDBHSA-N 2 1 311.433 1.667 20 30 DDEDMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@@H]1[NH2+]CC#CCOC ZINC001323171095 866399695 /nfs/dbraw/zinc/39/96/95/866399695.db2.gz TVIASIFOWPYSMM-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001321266877 867446037 /nfs/dbraw/zinc/44/60/37/867446037.db2.gz XOUNRPVRUGJGKJ-YQJUVHNHSA-N 2 1 311.429 1.227 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324791215 867527005 /nfs/dbraw/zinc/52/70/05/867527005.db2.gz VDSJSKFOGKZFRI-SFHVURJKSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001321543083 867655849 /nfs/dbraw/zinc/65/58/49/867655849.db2.gz FGLXZZXSLMMWDJ-NUJGCVRESA-N 2 1 313.445 1.940 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001321543083 867655859 /nfs/dbraw/zinc/65/58/59/867655859.db2.gz FGLXZZXSLMMWDJ-NUJGCVRESA-N 2 1 313.445 1.940 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001164449332 869197269 /nfs/dbraw/zinc/19/72/69/869197269.db2.gz HYHLXPXMBUWMPG-CQSZACIVSA-N 2 1 301.862 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001337884658 869668775 /nfs/dbraw/zinc/66/87/75/869668775.db2.gz KCUWUGKLFPMMJT-NXOAAHMSSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001337884658 869668780 /nfs/dbraw/zinc/66/87/80/869668780.db2.gz KCUWUGKLFPMMJT-NXOAAHMSSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001317006284 870111419 /nfs/dbraw/zinc/11/14/19/870111419.db2.gz RCXMKCGNSADMTM-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317137135 870341356 /nfs/dbraw/zinc/34/13/56/870341356.db2.gz FTGYMHDCFWLYHE-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317137135 870341369 /nfs/dbraw/zinc/34/13/69/870341369.db2.gz FTGYMHDCFWLYHE-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317137135 870341383 /nfs/dbraw/zinc/34/13/83/870341383.db2.gz FTGYMHDCFWLYHE-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203797804 870765731 /nfs/dbraw/zinc/76/57/31/870765731.db2.gz IZDPGOAOQCEPKP-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203797804 870765738 /nfs/dbraw/zinc/76/57/38/870765738.db2.gz IZDPGOAOQCEPKP-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1OCC ZINC001316695249 871389445 /nfs/dbraw/zinc/38/94/45/871389445.db2.gz KDELEASTENTFTL-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC001317719681 871439037 /nfs/dbraw/zinc/43/90/37/871439037.db2.gz ZYDSUXAAHAAKTG-NXHRZFHOSA-N 2 1 313.445 1.797 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001317804697 871529149 /nfs/dbraw/zinc/52/91/49/871529149.db2.gz DPWWPSIIPUOPKK-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001317957281 871651002 /nfs/dbraw/zinc/65/10/02/871651002.db2.gz YLQZYQCYJHQVJW-QGZVFWFLSA-N 2 1 305.466 1.856 20 30 DDEDMP C=CCCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001316745100 871789991 /nfs/dbraw/zinc/78/99/91/871789991.db2.gz CXECSBNLYHVUTE-MRXNPFEDSA-N 2 1 320.437 1.204 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001318569669 872152273 /nfs/dbraw/zinc/15/22/73/872152273.db2.gz IRRWVFDBFMDVAO-YOEHRIQHSA-N 2 1 311.445 1.707 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206282567 872183739 /nfs/dbraw/zinc/18/37/39/872183739.db2.gz VNGCWCPSUSUOBZ-MRXNPFEDSA-N 2 1 314.433 1.215 20 30 DDEDMP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2C#Cc2ccccc2)C[C@H]1O ZINC001206476911 872365026 /nfs/dbraw/zinc/36/50/26/872365026.db2.gz YAEPPHBGCRWOHR-VQTJNVASSA-N 2 1 306.409 1.838 20 30 DDEDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C#Cc2ccccc2)C[C@H]1O ZINC001206476911 872365049 /nfs/dbraw/zinc/36/50/49/872365049.db2.gz YAEPPHBGCRWOHR-VQTJNVASSA-N 2 1 306.409 1.838 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001319332384 872585001 /nfs/dbraw/zinc/58/50/01/872585001.db2.gz MTOUPXOWKXSNLU-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001319332384 872585014 /nfs/dbraw/zinc/58/50/14/872585014.db2.gz MTOUPXOWKXSNLU-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001207435586 873266975 /nfs/dbraw/zinc/26/69/75/873266975.db2.gz QNTBSUHALGXAAR-INIZCTEOSA-N 2 1 319.453 1.399 20 30 DDEDMP C=CCOC[C@H]1c2nnn(CC)c2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001207435586 873266979 /nfs/dbraw/zinc/26/69/79/873266979.db2.gz QNTBSUHALGXAAR-INIZCTEOSA-N 2 1 319.453 1.399 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028561 882784715 /nfs/dbraw/zinc/78/47/15/882784715.db2.gz IAMSXSAIZBBIFC-KLHDSHLOSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028561 882784719 /nfs/dbraw/zinc/78/47/19/882784719.db2.gz IAMSXSAIZBBIFC-KLHDSHLOSA-N 2 1 309.454 1.299 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001208355439 874051853 /nfs/dbraw/zinc/05/18/53/874051853.db2.gz BJJMENLPPIAXCV-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001208355439 874051865 /nfs/dbraw/zinc/05/18/65/874051865.db2.gz BJJMENLPPIAXCV-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC001276622962 874716673 /nfs/dbraw/zinc/71/66/73/874716673.db2.gz CDNYKSVTUQXNSX-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC001276622962 874716681 /nfs/dbraw/zinc/71/66/81/874716681.db2.gz CDNYKSVTUQXNSX-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC001276622962 874716688 /nfs/dbraw/zinc/71/66/88/874716688.db2.gz CDNYKSVTUQXNSX-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC001276622962 874716695 /nfs/dbraw/zinc/71/66/95/874716695.db2.gz CDNYKSVTUQXNSX-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585945 874989996 /nfs/dbraw/zinc/98/99/96/874989996.db2.gz TUDUAERUKMEVRI-BRWVUGGUSA-N 2 1 307.482 1.813 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209642036 875030161 /nfs/dbraw/zinc/03/01/61/875030161.db2.gz LITHNRAGNQWLPE-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCOc1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cc1 ZINC001276664719 875057574 /nfs/dbraw/zinc/05/75/74/875057574.db2.gz ZZCWLBWCSDFRFZ-UHFFFAOYSA-N 2 1 313.445 1.520 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211366447 875777571 /nfs/dbraw/zinc/77/75/71/875777571.db2.gz CKLDQSGVIVRUQG-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211366447 875777575 /nfs/dbraw/zinc/77/75/75/875777575.db2.gz CKLDQSGVIVRUQG-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001211366447 875777587 /nfs/dbraw/zinc/77/75/87/875777587.db2.gz CKLDQSGVIVRUQG-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220071955 878691220 /nfs/dbraw/zinc/69/12/20/878691220.db2.gz YKJOPAHJMQZOAP-HNNXBMFYSA-N 2 1 309.373 1.030 20 30 DDEDMP N#Cc1ccc(Cl)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222094997 880241229 /nfs/dbraw/zinc/24/12/29/880241229.db2.gz LKDMEJGNTITNAN-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001223832508 881115167 /nfs/dbraw/zinc/11/51/67/881115167.db2.gz RPGYWKGBYXDTKM-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001276931027 881145931 /nfs/dbraw/zinc/14/59/31/881145931.db2.gz JRQORDPSUJJDOE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001276931027 881145936 /nfs/dbraw/zinc/14/59/36/881145936.db2.gz JRQORDPSUJJDOE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001381213335 881287694 /nfs/dbraw/zinc/28/76/94/881287694.db2.gz FWIQPLPRNQPVJM-GXTWGEPZSA-N 2 1 324.856 1.991 20 30 DDEDMP CN1CCN(C2CC[NH+](Cc3cc(C#N)ccc3[O-])CC2)CC1 ZINC001232675681 886528270 /nfs/dbraw/zinc/52/82/70/886528270.db2.gz CQQUSUDSTRTBPE-UHFFFAOYSA-N 2 1 314.433 1.476 20 30 DDEDMP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001278140225 889834010 /nfs/dbraw/zinc/83/40/10/889834010.db2.gz ZBJDWANATPCBDB-RDJZCZTQSA-N 2 1 323.481 1.426 20 30 DDEDMP C=C[C@](C)(O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246012307 892330267 /nfs/dbraw/zinc/33/02/67/892330267.db2.gz MXGQUXGOMRMZDL-AEFFLSMTSA-N 2 1 320.433 1.754 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001278433595 892447393 /nfs/dbraw/zinc/44/73/93/892447393.db2.gz KYVOFSNSJBRGLW-SFHVURJKSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001278433595 892447405 /nfs/dbraw/zinc/44/74/05/892447405.db2.gz KYVOFSNSJBRGLW-SFHVURJKSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001251907226 894882846 /nfs/dbraw/zinc/88/28/46/894882846.db2.gz WQRWNACAGXRFDI-QXAKKESOSA-N 2 1 316.445 1.497 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001278703391 895724967 /nfs/dbraw/zinc/72/49/67/895724967.db2.gz HJYMEBSRPHWHJL-STQMWFEESA-N 2 1 319.371 1.186 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001253576509 895901543 /nfs/dbraw/zinc/90/15/43/895901543.db2.gz FOWKLWSDAQNVNG-CVEARBPZSA-N 2 1 320.433 1.882 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001253582980 895915950 /nfs/dbraw/zinc/91/59/50/895915950.db2.gz WRMVBJWAQVOCDX-QGZVFWFLSA-N 2 1 301.434 1.916 20 30 DDEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001391139171 901024912 /nfs/dbraw/zinc/02/49/12/901024912.db2.gz GDDMHCUVTDWYOI-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001391139171 901024923 /nfs/dbraw/zinc/02/49/23/901024923.db2.gz GDDMHCUVTDWYOI-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001391139171 901024934 /nfs/dbraw/zinc/02/49/34/901024934.db2.gz GDDMHCUVTDWYOI-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001391139171 901024941 /nfs/dbraw/zinc/02/49/41/901024941.db2.gz GDDMHCUVTDWYOI-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265523203 902092054 /nfs/dbraw/zinc/09/20/54/902092054.db2.gz IQLIUSYMGBCIDR-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265593568 902174668 /nfs/dbraw/zinc/17/46/68/902174668.db2.gz ZEICWVYRBVAPMN-KRWDZBQOSA-N 2 1 305.466 1.570 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001265707867 902327780 /nfs/dbraw/zinc/32/77/80/902327780.db2.gz GSSCXTALCUOIKZ-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265707867 902327790 /nfs/dbraw/zinc/32/77/90/902327790.db2.gz GSSCXTALCUOIKZ-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265707867 902327804 /nfs/dbraw/zinc/32/78/04/902327804.db2.gz GSSCXTALCUOIKZ-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001280758630 903998357 /nfs/dbraw/zinc/99/83/57/903998357.db2.gz DDZXBHCKCPEQCZ-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001316611149 904898280 /nfs/dbraw/zinc/89/82/80/904898280.db2.gz XUUAOIIZKSIJET-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001282997041 906429748 /nfs/dbraw/zinc/42/97/48/906429748.db2.gz SMDHBAKRNMLBHJ-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001282997041 906429763 /nfs/dbraw/zinc/42/97/63/906429763.db2.gz SMDHBAKRNMLBHJ-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001282997041 906429780 /nfs/dbraw/zinc/42/97/80/906429780.db2.gz SMDHBAKRNMLBHJ-HDICACEKSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CC[NH2+]CCC[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001283259835 907016409 /nfs/dbraw/zinc/01/64/09/907016409.db2.gz KBYQZBOQDKQITN-AWEZNQCLSA-N 2 1 313.405 1.941 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001283307168 907098791 /nfs/dbraw/zinc/09/87/91/907098791.db2.gz KWWIOURIRNXTKV-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001283307168 907098802 /nfs/dbraw/zinc/09/88/02/907098802.db2.gz KWWIOURIRNXTKV-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001283307168 907098822 /nfs/dbraw/zinc/09/88/22/907098822.db2.gz KWWIOURIRNXTKV-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001284293618 908784758 /nfs/dbraw/zinc/78/47/58/908784758.db2.gz SDHPJGHMJXSSSC-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000329398756 539304007 /nfs/dbraw/zinc/30/40/07/539304007.db2.gz AMATYOQQRIXJBG-BZUAXINKSA-N 2 1 324.469 1.085 20 30 DDEDMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C[NH+]1CCOCC1 ZINC000329398756 539304008 /nfs/dbraw/zinc/30/40/08/539304008.db2.gz AMATYOQQRIXJBG-BZUAXINKSA-N 2 1 324.469 1.085 20 30 DDEDMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(CC#N)CC2)cc1 ZINC000092936117 353876659 /nfs/dbraw/zinc/87/66/59/353876659.db2.gz MIGPSQLVOLYSME-UHFFFAOYSA-N 2 1 302.422 1.268 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422118 781931420 /nfs/dbraw/zinc/93/14/20/781931420.db2.gz JODWMHMMOCVQBN-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422330 781931673 /nfs/dbraw/zinc/93/16/73/781931673.db2.gz LQSIFNBEJLLHKE-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC[C@H](C#N)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000578451663 354709042 /nfs/dbraw/zinc/70/90/42/354709042.db2.gz LARYEILSPZWDPH-OAHLLOKOSA-N 2 1 306.454 1.601 20 30 DDEDMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592524761 355611696 /nfs/dbraw/zinc/61/16/96/355611696.db2.gz ZURHHOJMDPEAGY-QGZVFWFLSA-N 2 1 303.406 1.477 20 30 DDEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600717419 358293594 /nfs/dbraw/zinc/29/35/94/358293594.db2.gz ADIUNODUHZTZJV-MRXNPFEDSA-N 2 1 314.389 1.483 20 30 DDEDMP N#CC1(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)CCCCC1 ZINC000600969805 358362701 /nfs/dbraw/zinc/36/27/01/358362701.db2.gz OTSXSHRJVPTSLU-UHFFFAOYSA-N 2 1 316.453 1.718 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158995244 408376623 /nfs/dbraw/zinc/37/66/23/408376623.db2.gz BDDKABPONCFQPF-YFHUEUNASA-N 2 1 320.481 1.845 20 30 DDEDMP CCCc1nc(C)c(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)o1 ZINC000291995544 408959659 /nfs/dbraw/zinc/95/96/59/408959659.db2.gz WXKYNKSFSRDGNL-ZDUSSCGKSA-N 2 1 307.442 1.824 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCOCC1 ZINC000303870783 409554918 /nfs/dbraw/zinc/55/49/18/409554918.db2.gz FMYLTDPSULZILT-QGZVFWFLSA-N 2 1 316.449 1.688 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCCn1cc[nH+]c1C ZINC000296646299 409629064 /nfs/dbraw/zinc/62/90/64/409629064.db2.gz YDJFNBWXCBIGFC-UHFFFAOYSA-N 2 1 305.426 1.226 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCCn1cc[nH+]c1C ZINC000296646299 409629075 /nfs/dbraw/zinc/62/90/75/409629075.db2.gz YDJFNBWXCBIGFC-UHFFFAOYSA-N 2 1 305.426 1.226 20 30 DDEDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000330452002 410703754 /nfs/dbraw/zinc/70/37/54/410703754.db2.gz YYHREEGNHVGCCG-CYBMUJFWSA-N 2 1 318.396 1.512 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1=O ZINC000652363760 422979850 /nfs/dbraw/zinc/97/98/50/422979850.db2.gz MYKQOKQZVCDOCI-LVQVYYBASA-N 2 1 307.438 1.134 20 30 DDEDMP CC#CCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000360491087 418447687 /nfs/dbraw/zinc/44/76/87/418447687.db2.gz LZDFPPBODYVUKV-CALCHBBNSA-N 2 1 308.466 1.990 20 30 DDEDMP CC#CCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000360491087 418447690 /nfs/dbraw/zinc/44/76/90/418447690.db2.gz LZDFPPBODYVUKV-CALCHBBNSA-N 2 1 308.466 1.990 20 30 DDEDMP [NH2+]=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC1CC1 ZINC000190527574 222082774 /nfs/dbraw/zinc/08/27/74/222082774.db2.gz YAKSDMHFUYJDBB-INIZCTEOSA-N 2 1 302.422 1.344 20 30 DDEDMP CCNC(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)=[NH+]CC ZINC000190528103 222082922 /nfs/dbraw/zinc/08/29/22/222082922.db2.gz QYAJAVKBABQUHH-QGZVFWFLSA-N 2 1 318.465 1.853 20 30 DDEDMP Cc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000264081442 222314699 /nfs/dbraw/zinc/31/46/99/222314699.db2.gz HLPRWJGOEPBTKO-CQSZACIVSA-N 2 1 317.481 1.914 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn2ccccc2n1 ZINC000264084417 222316047 /nfs/dbraw/zinc/31/60/47/222316047.db2.gz JKKVYFMDJBACCU-AWEZNQCLSA-N 2 1 300.410 1.223 20 30 DDEDMP CCOc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264096454 222317001 /nfs/dbraw/zinc/31/70/01/222317001.db2.gz MDMIYXSGMWLWTJ-UHFFFAOYSA-N 2 1 320.437 1.212 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000371009525 418756121 /nfs/dbraw/zinc/75/61/21/418756121.db2.gz NMYRSPHJTHSZML-KRWDZBQOSA-N 2 1 321.465 1.396 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C#N)C3)CC2)CC1 ZINC000566458472 421605367 /nfs/dbraw/zinc/60/53/67/421605367.db2.gz UNPRSDOAOYYQON-UHFFFAOYSA-N 2 1 318.465 1.555 20 30 DDEDMP COC(=O)[C@@H](c1cccc(C#N)c1)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534211307 421685037 /nfs/dbraw/zinc/68/50/37/421685037.db2.gz PZDSKQHSGOITNT-JKSUJKDBSA-N 2 1 324.384 1.995 20 30 DDEDMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000573913632 422035961 /nfs/dbraw/zinc/03/59/61/422035961.db2.gz BXTNEWQCDMDTMQ-QGZVFWFLSA-N 2 1 317.433 1.566 20 30 DDEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000651710553 423652811 /nfs/dbraw/zinc/65/28/11/423652811.db2.gz GARHSMDVAIZNLX-SQNIBIBYSA-N 2 1 307.482 1.727 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000664020063 424344565 /nfs/dbraw/zinc/34/45/65/424344565.db2.gz QCDMSOCDPCNDHA-INIZCTEOSA-N 2 1 308.470 1.763 20 30 DDEDMP CC[N@@H+](C)C[C@@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000573309908 308236282 /nfs/dbraw/zinc/23/62/82/308236282.db2.gz HVLJPQGDUCJJHP-QGZVFWFLSA-N 2 1 316.449 1.383 20 30 DDEDMP C=CC[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000656478121 484157799 /nfs/dbraw/zinc/15/77/99/484157799.db2.gz NSFWIUATLQNMKZ-LSDHHAIUSA-N 2 1 307.438 1.354 20 30 DDEDMP C=CCNC(=O)[C@@H](C)[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344149779 526621718 /nfs/dbraw/zinc/62/17/18/526621718.db2.gz RRKDSNSPGXRPDN-MRXNPFEDSA-N 2 1 310.486 1.027 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000971922828 695123336 /nfs/dbraw/zinc/12/33/36/695123336.db2.gz QBYJHDCJGMWSKH-HNNXBMFYSA-N 2 1 311.389 1.600 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000972638889 695306006 /nfs/dbraw/zinc/30/60/06/695306006.db2.gz OOMNIZNCFPSMKQ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972638889 695306009 /nfs/dbraw/zinc/30/60/09/695306009.db2.gz OOMNIZNCFPSMKQ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972638889 695306012 /nfs/dbraw/zinc/30/60/12/695306012.db2.gz OOMNIZNCFPSMKQ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972638889 695306015 /nfs/dbraw/zinc/30/60/15/695306015.db2.gz OOMNIZNCFPSMKQ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974745031 695724744 /nfs/dbraw/zinc/72/47/44/695724744.db2.gz WHSXVGNRCHWDAB-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974942163 695763356 /nfs/dbraw/zinc/76/33/56/695763356.db2.gz CFIJULXIBVXFOR-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974942163 695763357 /nfs/dbraw/zinc/76/33/57/695763357.db2.gz CFIJULXIBVXFOR-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974942163 695763360 /nfs/dbraw/zinc/76/33/60/695763360.db2.gz CFIJULXIBVXFOR-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980158310 696696343 /nfs/dbraw/zinc/69/63/43/696696343.db2.gz CBLJMCDRPSZTCL-GVDBMIGSSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980158310 696696344 /nfs/dbraw/zinc/69/63/44/696696344.db2.gz CBLJMCDRPSZTCL-GVDBMIGSSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]2C1 ZINC000980158310 696696345 /nfs/dbraw/zinc/69/63/45/696696345.db2.gz CBLJMCDRPSZTCL-GVDBMIGSSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC000981768356 696909412 /nfs/dbraw/zinc/90/94/12/696909412.db2.gz ISWNCQBTAVZUNR-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981775998 696912045 /nfs/dbraw/zinc/91/20/45/696912045.db2.gz BAIFFRCZRJBHNX-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981775998 696912048 /nfs/dbraw/zinc/91/20/48/696912048.db2.gz BAIFFRCZRJBHNX-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981775998 696912050 /nfs/dbraw/zinc/91/20/50/696912050.db2.gz BAIFFRCZRJBHNX-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331625 697067870 /nfs/dbraw/zinc/06/78/70/697067870.db2.gz NTAZAWDUZKQEPA-HNNXBMFYSA-N 2 1 300.406 1.318 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331625 697067873 /nfs/dbraw/zinc/06/78/73/697067873.db2.gz NTAZAWDUZKQEPA-HNNXBMFYSA-N 2 1 300.406 1.318 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981524877 697118694 /nfs/dbraw/zinc/11/86/94/697118694.db2.gz SUIGTODWRCQLEC-UONOGXRCSA-N 2 1 310.829 1.961 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N1CCCCCC1 ZINC000170913420 697352109 /nfs/dbraw/zinc/35/21/09/697352109.db2.gz QFALCBLKRUFZSP-HNNXBMFYSA-N 2 1 323.485 1.168 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000985694793 697557809 /nfs/dbraw/zinc/55/78/09/697557809.db2.gz OHNZHHQIVGPIKD-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000985694793 697557812 /nfs/dbraw/zinc/55/78/12/697557812.db2.gz OHNZHHQIVGPIKD-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000985694793 697557814 /nfs/dbraw/zinc/55/78/14/697557814.db2.gz OHNZHHQIVGPIKD-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000986571421 697841392 /nfs/dbraw/zinc/84/13/92/697841392.db2.gz WDULWCZOEGVRFQ-LSDHHAIUSA-N 2 1 316.449 1.917 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303704731 698605603 /nfs/dbraw/zinc/60/56/03/698605603.db2.gz KLNCFONCOSNAID-GFCCVEGCSA-N 2 1 306.410 1.915 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N(C)C)cc1 ZINC000303789653 698607070 /nfs/dbraw/zinc/60/70/70/698607070.db2.gz VLVZGWDULXWXGI-MRXNPFEDSA-N 2 1 303.454 1.641 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000303872140 698608018 /nfs/dbraw/zinc/60/80/18/698608018.db2.gz BUBPERIVVPVADY-HRCADAONSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000303872140 698608020 /nfs/dbraw/zinc/60/80/20/698608020.db2.gz BUBPERIVVPVADY-HRCADAONSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000303872140 698608023 /nfs/dbraw/zinc/60/80/23/698608023.db2.gz BUBPERIVVPVADY-HRCADAONSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cccc(F)c1 ZINC000303875580 698608397 /nfs/dbraw/zinc/60/83/97/698608397.db2.gz DNFMWPBXXUJTEP-CQSZACIVSA-N 2 1 308.401 1.593 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC000989734951 698745342 /nfs/dbraw/zinc/74/53/42/698745342.db2.gz LRKMNAPTOQUZEV-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCC(C)C)CC2)CC1 ZINC000989734768 698745439 /nfs/dbraw/zinc/74/54/39/698745439.db2.gz CGCOLKMLGQNVNT-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990638337 699117632 /nfs/dbraw/zinc/11/76/32/699117632.db2.gz MFKNIMUSTGKPNG-JFIYKMOQSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990638337 699117635 /nfs/dbraw/zinc/11/76/35/699117635.db2.gz MFKNIMUSTGKPNG-JFIYKMOQSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990638337 699117637 /nfs/dbraw/zinc/11/76/37/699117637.db2.gz MFKNIMUSTGKPNG-JFIYKMOQSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000815652533 701907689 /nfs/dbraw/zinc/90/76/89/701907689.db2.gz HCMYPAAJKOOBGO-HNNXBMFYSA-N 2 1 314.433 1.822 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000815652533 701907692 /nfs/dbraw/zinc/90/76/92/701907692.db2.gz HCMYPAAJKOOBGO-HNNXBMFYSA-N 2 1 314.433 1.822 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3=NO[C@H](C)C3)CC2)CC1 ZINC000847624746 703445211 /nfs/dbraw/zinc/44/52/11/703445211.db2.gz XBLJEMJRQSOHBS-CYBMUJFWSA-N 2 1 322.453 1.421 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852761154 704117901 /nfs/dbraw/zinc/11/79/01/704117901.db2.gz RQYXZYJEDJPLTE-MSOLQXFVSA-N 2 1 317.433 1.634 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852761154 704117903 /nfs/dbraw/zinc/11/79/03/704117903.db2.gz RQYXZYJEDJPLTE-MSOLQXFVSA-N 2 1 317.433 1.634 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875248511 705330600 /nfs/dbraw/zinc/33/06/00/705330600.db2.gz QCTUHZFKRGEROR-UHFFFAOYSA-N 2 1 308.470 1.763 20 30 DDEDMP CC[NH+](CCO)Cc1cc(C#N)cc(C[N@@H+](CC)CCO)c1 ZINC000878049793 706275782 /nfs/dbraw/zinc/27/57/82/706275782.db2.gz LRUUZPOMCLMBHX-UHFFFAOYSA-N 2 1 305.422 1.187 20 30 DDEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCO1 ZINC000883185747 707950297 /nfs/dbraw/zinc/95/02/97/707950297.db2.gz DHWRRFVPXJAHMI-IKGGRYGDSA-N 2 1 323.481 1.677 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884188154 708179215 /nfs/dbraw/zinc/17/92/15/708179215.db2.gz AOLYUOWKNFBPEZ-BOLLXYOYSA-N 2 1 304.438 1.116 20 30 DDEDMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884221398 708196819 /nfs/dbraw/zinc/19/68/19/708196819.db2.gz QZURHHXOABFKOB-NDUQDZPOSA-N 2 1 318.465 1.506 20 30 DDEDMP CCC[N@@H+](C)CC(C)(C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884424929 708291794 /nfs/dbraw/zinc/29/17/94/708291794.db2.gz PJNWWAYKRPFHLH-UUCFBXCCSA-N 2 1 306.454 1.362 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000884462153 708306093 /nfs/dbraw/zinc/30/60/93/708306093.db2.gz WLQUSSPGNVJGDC-LSDHHAIUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000884462153 708306096 /nfs/dbraw/zinc/30/60/96/708306096.db2.gz WLQUSSPGNVJGDC-LSDHHAIUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000884462153 708306097 /nfs/dbraw/zinc/30/60/97/708306097.db2.gz WLQUSSPGNVJGDC-LSDHHAIUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000884462153 708306100 /nfs/dbraw/zinc/30/61/00/708306100.db2.gz WLQUSSPGNVJGDC-LSDHHAIUSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000888794966 709382581 /nfs/dbraw/zinc/38/25/81/709382581.db2.gz BSLNGVVXSPSDEQ-IRXDYDNUSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000888794966 709382584 /nfs/dbraw/zinc/38/25/84/709382584.db2.gz BSLNGVVXSPSDEQ-IRXDYDNUSA-N 2 1 320.481 1.648 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC000892851078 710512657 /nfs/dbraw/zinc/51/26/57/710512657.db2.gz BIBJLIJJHNHNNR-QAPCUYQASA-N 2 1 320.481 1.620 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1 ZINC000892851114 710512736 /nfs/dbraw/zinc/51/27/36/710512736.db2.gz CHAONVURGQWTGZ-GASCZTMLSA-N 2 1 306.454 1.230 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000892852258 710512977 /nfs/dbraw/zinc/51/29/77/710512977.db2.gz YPPHPCFMVWSXSC-HNNXBMFYSA-N 2 1 308.470 1.810 20 30 DDEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(C#N)ccn1 ZINC000902800571 710904625 /nfs/dbraw/zinc/90/46/25/710904625.db2.gz PWRKENTZVXPHIA-HOCLYGCPSA-N 2 1 302.422 1.841 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000963832737 717920239 /nfs/dbraw/zinc/92/02/39/717920239.db2.gz AWVNBDOKFXPINC-OFLPRAFFSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000963832737 717920241 /nfs/dbraw/zinc/92/02/41/717920241.db2.gz AWVNBDOKFXPINC-OFLPRAFFSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943289905 718068623 /nfs/dbraw/zinc/06/86/23/718068623.db2.gz SRMDJYKHLFZCSQ-HUUCEWRRSA-N 2 1 302.422 1.466 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943289905 718068624 /nfs/dbraw/zinc/06/86/24/718068624.db2.gz SRMDJYKHLFZCSQ-HUUCEWRRSA-N 2 1 302.422 1.466 20 30 DDEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@H](C)[NH+]2CC[C@H](CC#C)C2)C1 ZINC000931714420 714167509 /nfs/dbraw/zinc/16/75/09/714167509.db2.gz GWZIDHSTHFDRBZ-KSZLIROESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@@H+]2CC[C@H](CC#C)C2)C1 ZINC000931714420 714167512 /nfs/dbraw/zinc/16/75/12/714167512.db2.gz GWZIDHSTHFDRBZ-KSZLIROESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[C@@H]1CC[NH+](CC(=O)NC[C@H](C)[N@H+]2CC[C@H](CC#C)C2)C1 ZINC000931714420 714167514 /nfs/dbraw/zinc/16/75/14/714167514.db2.gz GWZIDHSTHFDRBZ-KSZLIROESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000923564617 714406734 /nfs/dbraw/zinc/40/67/34/714406734.db2.gz ALNAWISBDIZVMF-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000923564617 714406735 /nfs/dbraw/zinc/40/67/35/714406735.db2.gz ALNAWISBDIZVMF-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000923564617 714406738 /nfs/dbraw/zinc/40/67/38/714406738.db2.gz ALNAWISBDIZVMF-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000923564617 714406743 /nfs/dbraw/zinc/40/67/43/714406743.db2.gz ALNAWISBDIZVMF-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958117830 716340075 /nfs/dbraw/zinc/34/00/75/716340075.db2.gz WUDPPAACUJXZFH-KBPBESRZSA-N 2 1 323.462 1.018 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000960303297 716485612 /nfs/dbraw/zinc/48/56/12/716485612.db2.gz GTKRCFLOVBEENV-LSBZLQRGSA-N 2 1 311.429 1.476 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CC2)CC1 ZINC000940158223 716655124 /nfs/dbraw/zinc/65/51/24/716655124.db2.gz VQGYTGWPXUZNKV-INIZCTEOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CC2)CC1 ZINC000940158223 716655127 /nfs/dbraw/zinc/65/51/27/716655127.db2.gz VQGYTGWPXUZNKV-INIZCTEOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281871 716894688 /nfs/dbraw/zinc/89/46/88/716894688.db2.gz IJKJQBUHLBQDEE-DLBZAZTESA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000961790795 717209105 /nfs/dbraw/zinc/20/91/05/717209105.db2.gz QTBIZHGIKMWPGW-PIIMJCKOSA-N 2 1 311.429 1.084 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313935 717738019 /nfs/dbraw/zinc/73/80/19/717738019.db2.gz IVVJQLKSSYMPOC-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942558176 717744242 /nfs/dbraw/zinc/74/42/42/717744242.db2.gz SLUFRPYUXDGHNT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597914 717769127 /nfs/dbraw/zinc/76/91/27/717769127.db2.gz OHHZVESFMQPYEQ-WFASDCNBSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597914 717769132 /nfs/dbraw/zinc/76/91/32/717769132.db2.gz OHHZVESFMQPYEQ-WFASDCNBSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942823152 717878931 /nfs/dbraw/zinc/87/89/31/717878931.db2.gz RUDLVPKSDYLFFC-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942823152 717878933 /nfs/dbraw/zinc/87/89/33/717878933.db2.gz RUDLVPKSDYLFFC-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000942823152 717878934 /nfs/dbraw/zinc/87/89/34/717878934.db2.gz RUDLVPKSDYLFFC-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H](C)C1 ZINC000945178769 718415357 /nfs/dbraw/zinc/41/53/57/718415357.db2.gz HBPYWKNKADMDNN-AEFFLSMTSA-N 2 1 315.461 1.182 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779153 718905983 /nfs/dbraw/zinc/90/59/83/718905983.db2.gz HRZXPBUMCJMQRZ-ZJPYXAASSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779153 718905984 /nfs/dbraw/zinc/90/59/84/718905984.db2.gz HRZXPBUMCJMQRZ-ZJPYXAASSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779153 718905986 /nfs/dbraw/zinc/90/59/86/718905986.db2.gz HRZXPBUMCJMQRZ-ZJPYXAASSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895232 718938321 /nfs/dbraw/zinc/93/83/21/718938321.db2.gz UBRJKXPKWSGALC-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]2C1 ZINC000946895232 718938325 /nfs/dbraw/zinc/93/83/25/718938325.db2.gz UBRJKXPKWSGALC-IYBDPMFKSA-N 2 1 302.422 1.548 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615205 719227667 /nfs/dbraw/zinc/22/76/67/719227667.db2.gz GHDXCIMDHCEIIJ-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947654114 719237365 /nfs/dbraw/zinc/23/73/65/719237365.db2.gz YYERTDNLCWINGX-ZBFHGGJFSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330515 719510948 /nfs/dbraw/zinc/51/09/48/719510948.db2.gz ABZSOUBXOZXOGW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000968330515 719510952 /nfs/dbraw/zinc/51/09/52/719510952.db2.gz ABZSOUBXOZXOGW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C)[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000968330515 719510955 /nfs/dbraw/zinc/51/09/55/719510955.db2.gz ABZSOUBXOZXOGW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417223 719572485 /nfs/dbraw/zinc/57/24/85/719572485.db2.gz DMYUIYNFECKCNY-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000968417223 719572486 /nfs/dbraw/zinc/57/24/86/719572486.db2.gz DMYUIYNFECKCNY-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948706312 719659440 /nfs/dbraw/zinc/65/94/40/719659440.db2.gz ZSHVGRYULFSKMV-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948706312 719659443 /nfs/dbraw/zinc/65/94/43/719659443.db2.gz ZSHVGRYULFSKMV-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706312 719659445 /nfs/dbraw/zinc/65/94/45/719659445.db2.gz ZSHVGRYULFSKMV-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948706312 719659447 /nfs/dbraw/zinc/65/94/47/719659447.db2.gz ZSHVGRYULFSKMV-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968797435 719792548 /nfs/dbraw/zinc/79/25/48/719792548.db2.gz XDSSAOGLCLMENX-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968797435 719792550 /nfs/dbraw/zinc/79/25/50/719792550.db2.gz XDSSAOGLCLMENX-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797435 719792551 /nfs/dbraw/zinc/79/25/51/719792551.db2.gz XDSSAOGLCLMENX-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968797435 719792554 /nfs/dbraw/zinc/79/25/54/719792554.db2.gz XDSSAOGLCLMENX-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2nc[nH]c21 ZINC000969022659 719928364 /nfs/dbraw/zinc/92/83/64/719928364.db2.gz GWVJCCPZWSCVHF-CABCVRRESA-N 2 1 314.433 1.824 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(=C)C)C1 ZINC000969864557 720539926 /nfs/dbraw/zinc/53/99/26/720539926.db2.gz CYWKCBBWCBWMGG-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(=C)C)C1 ZINC000969864557 720539929 /nfs/dbraw/zinc/53/99/29/720539929.db2.gz CYWKCBBWCBWMGG-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001027685881 738550367 /nfs/dbraw/zinc/55/03/67/738550367.db2.gz QNDJINFLHNTXHW-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173412 733083948 /nfs/dbraw/zinc/08/39/48/733083948.db2.gz WDWLXXIMNSBWCN-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173412 733083951 /nfs/dbraw/zinc/08/39/51/733083951.db2.gz WDWLXXIMNSBWCN-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173412 733083953 /nfs/dbraw/zinc/08/39/53/733083953.db2.gz WDWLXXIMNSBWCN-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001027939887 738839756 /nfs/dbraw/zinc/83/97/56/738839756.db2.gz AFBHYDCCOAIERP-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001023372263 735203642 /nfs/dbraw/zinc/20/36/42/735203642.db2.gz PYCLOGRNKUFFNV-DOTOQJQBSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454525 735246153 /nfs/dbraw/zinc/24/61/53/735246153.db2.gz XUILVGNCCQLACF-CQSZACIVSA-N 2 1 318.421 1.201 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023454525 735246157 /nfs/dbraw/zinc/24/61/57/735246157.db2.gz XUILVGNCCQLACF-CQSZACIVSA-N 2 1 318.421 1.201 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438299 735827458 /nfs/dbraw/zinc/82/74/58/735827458.db2.gz LBUXBUGNVSKKGD-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346547 737084961 /nfs/dbraw/zinc/08/49/61/737084961.db2.gz RLUXVNMVVOEJOR-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346547 737084966 /nfs/dbraw/zinc/08/49/66/737084966.db2.gz RLUXVNMVVOEJOR-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346547 737084971 /nfs/dbraw/zinc/08/49/71/737084971.db2.gz RLUXVNMVVOEJOR-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346547 737084975 /nfs/dbraw/zinc/08/49/75/737084975.db2.gz RLUXVNMVVOEJOR-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036628 738956455 /nfs/dbraw/zinc/95/64/55/738956455.db2.gz FYQOBRUCURKGOF-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036628 738956457 /nfs/dbraw/zinc/95/64/57/738956457.db2.gz FYQOBRUCURKGOF-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417426 738021793 /nfs/dbraw/zinc/02/17/93/738021793.db2.gz ACNZZNCXOXMINO-HZPDHXFCSA-N 2 1 317.477 1.759 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001027414251 738272974 /nfs/dbraw/zinc/27/29/74/738272974.db2.gz KXUDMWVAHNYDKN-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088924 739016218 /nfs/dbraw/zinc/01/62/18/739016218.db2.gz RFRGYQAEOXLDLI-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088924 739016220 /nfs/dbraw/zinc/01/62/20/739016220.db2.gz RFRGYQAEOXLDLI-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088924 739016223 /nfs/dbraw/zinc/01/62/23/739016223.db2.gz RFRGYQAEOXLDLI-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590859 739723228 /nfs/dbraw/zinc/72/32/28/739723228.db2.gz HMDCTNPPERCGAO-GJZGRUSLSA-N 2 1 300.406 1.222 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590859 739723234 /nfs/dbraw/zinc/72/32/34/739723234.db2.gz HMDCTNPPERCGAO-GJZGRUSLSA-N 2 1 300.406 1.222 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028804914 740062823 /nfs/dbraw/zinc/06/28/23/740062823.db2.gz HDRYLCPRZGJOOI-CQSZACIVSA-N 2 1 318.421 1.508 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028804914 740062826 /nfs/dbraw/zinc/06/28/26/740062826.db2.gz HDRYLCPRZGJOOI-CQSZACIVSA-N 2 1 318.421 1.508 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000412 740245396 /nfs/dbraw/zinc/24/53/96/740245396.db2.gz CQQMIQZHNOBQPT-KRWDZBQOSA-N 2 1 313.445 1.823 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001029003618 740248613 /nfs/dbraw/zinc/24/86/13/740248613.db2.gz OISKGQCXFZSVMG-HOTGVXAUSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998175770 751567273 /nfs/dbraw/zinc/56/72/73/751567273.db2.gz DSTCUQBDTMWRJQ-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001087781346 740748648 /nfs/dbraw/zinc/74/86/48/740748648.db2.gz DVJGVDIFMATVAC-DLBZAZTESA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H]2C1 ZINC001088014125 740946977 /nfs/dbraw/zinc/94/69/77/740946977.db2.gz GZODPZFOVFHHLH-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882766 741657473 /nfs/dbraw/zinc/65/74/73/741657473.db2.gz QWLFHHOYIDRHPP-ARFHVFGLSA-N 2 1 314.433 1.869 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882766 741657477 /nfs/dbraw/zinc/65/74/77/741657477.db2.gz QWLFHHOYIDRHPP-ARFHVFGLSA-N 2 1 314.433 1.869 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088616565 741977066 /nfs/dbraw/zinc/97/70/66/741977066.db2.gz BYHVZUHMDHBBAR-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088616565 741977072 /nfs/dbraw/zinc/97/70/72/741977072.db2.gz BYHVZUHMDHBBAR-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H]1C ZINC001088616565 741977073 /nfs/dbraw/zinc/97/70/73/741977073.db2.gz BYHVZUHMDHBBAR-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619306 741998312 /nfs/dbraw/zinc/99/83/12/741998312.db2.gz HFEZDUTUUJHCJK-PVAVHDDUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619306 741998314 /nfs/dbraw/zinc/99/83/14/741998314.db2.gz HFEZDUTUUJHCJK-PVAVHDDUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619306 741998316 /nfs/dbraw/zinc/99/83/16/741998316.db2.gz HFEZDUTUUJHCJK-PVAVHDDUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521630 742454928 /nfs/dbraw/zinc/45/49/28/742454928.db2.gz BEIBTFDLEXEUPT-BBWFWOEESA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521630 742454930 /nfs/dbraw/zinc/45/49/30/742454930.db2.gz BEIBTFDLEXEUPT-BBWFWOEESA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001083521630 742454933 /nfs/dbraw/zinc/45/49/33/742454933.db2.gz BEIBTFDLEXEUPT-BBWFWOEESA-N 2 1 323.481 1.092 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244408 742624095 /nfs/dbraw/zinc/62/40/95/742624095.db2.gz RGWHDUARXVCMKG-HDMKZQKVSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244408 742624097 /nfs/dbraw/zinc/62/40/97/742624097.db2.gz RGWHDUARXVCMKG-HDMKZQKVSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244408 742624098 /nfs/dbraw/zinc/62/40/98/742624098.db2.gz RGWHDUARXVCMKG-HDMKZQKVSA-N 2 1 321.440 1.365 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001076244408 742624099 /nfs/dbraw/zinc/62/40/99/742624099.db2.gz RGWHDUARXVCMKG-HDMKZQKVSA-N 2 1 321.440 1.365 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076310441 742658378 /nfs/dbraw/zinc/65/83/78/742658378.db2.gz FRVCXMIBVSIXPK-LSDHHAIUSA-N 2 1 302.422 1.725 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]2C1 ZINC001076310441 742658379 /nfs/dbraw/zinc/65/83/79/742658379.db2.gz FRVCXMIBVSIXPK-LSDHHAIUSA-N 2 1 302.422 1.725 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001077127596 743260677 /nfs/dbraw/zinc/26/06/77/743260677.db2.gz BEIBTFDLEXEUPT-GVDBMIGSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127596 743260679 /nfs/dbraw/zinc/26/06/79/743260679.db2.gz BEIBTFDLEXEUPT-GVDBMIGSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001077127596 743260684 /nfs/dbraw/zinc/26/06/84/743260684.db2.gz BEIBTFDLEXEUPT-GVDBMIGSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077133328 743267990 /nfs/dbraw/zinc/26/79/90/743267990.db2.gz MPEFBZQZMDQQDE-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077133328 743267999 /nfs/dbraw/zinc/26/79/99/743267999.db2.gz MPEFBZQZMDQQDE-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077133328 743268004 /nfs/dbraw/zinc/26/80/04/743268004.db2.gz MPEFBZQZMDQQDE-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165227 743796649 /nfs/dbraw/zinc/79/66/49/743796649.db2.gz SWLPWWFUEFHRQR-SOLBZPMBSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184811962 744106344 /nfs/dbraw/zinc/10/63/44/744106344.db2.gz YIFXBBBBDQLAJW-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185681769 744266717 /nfs/dbraw/zinc/26/67/17/744266717.db2.gz MPFXCQWNBCWJKH-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001099029796 744332759 /nfs/dbraw/zinc/33/27/59/744332759.db2.gz MUUVFFAKTLYZPH-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029796 744332760 /nfs/dbraw/zinc/33/27/60/744332760.db2.gz MUUVFFAKTLYZPH-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029796 744332761 /nfs/dbraw/zinc/33/27/61/744332761.db2.gz MUUVFFAKTLYZPH-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034649 744496467 /nfs/dbraw/zinc/49/64/67/744496467.db2.gz KYYWTIIOTVFKCY-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992276504 744742065 /nfs/dbraw/zinc/74/20/65/744742065.db2.gz AKJSFMSQSINHSA-FUHWJXTLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001189802340 745001089 /nfs/dbraw/zinc/00/10/89/745001089.db2.gz VSHHSEBNLBREIY-IXDOHACOSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000992712795 745137342 /nfs/dbraw/zinc/13/73/42/745137342.db2.gz OJKYFXLAIUPADM-DJIMGWMZSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3nccn32)C1 ZINC001190653057 745284837 /nfs/dbraw/zinc/28/48/37/745284837.db2.gz BJQKOYPQQRECTR-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653057 745284841 /nfs/dbraw/zinc/28/48/41/745284841.db2.gz BJQKOYPQQRECTR-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190653057 745284845 /nfs/dbraw/zinc/28/48/45/745284845.db2.gz BJQKOYPQQRECTR-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106354425 745623035 /nfs/dbraw/zinc/62/30/35/745623035.db2.gz ZUGOEHIILQXIPL-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989561 745659606 /nfs/dbraw/zinc/65/96/06/745659606.db2.gz YQVBNNFNDYAPAX-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989561 745659610 /nfs/dbraw/zinc/65/96/10/745659610.db2.gz YQVBNNFNDYAPAX-RDJZCZTQSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192356241 745766082 /nfs/dbraw/zinc/76/60/82/745766082.db2.gz XXMPGIGBPRXPPI-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192356241 745766084 /nfs/dbraw/zinc/76/60/84/745766084.db2.gz XXMPGIGBPRXPPI-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192356241 745766085 /nfs/dbraw/zinc/76/60/85/745766085.db2.gz XXMPGIGBPRXPPI-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192426201 745779524 /nfs/dbraw/zinc/77/95/24/745779524.db2.gz OAVUAFHDVBWOHJ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194154747 746293682 /nfs/dbraw/zinc/29/36/82/746293682.db2.gz NTBBJDGFJWMUME-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194154747 746293685 /nfs/dbraw/zinc/29/36/85/746293685.db2.gz NTBBJDGFJWMUME-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194154747 746293687 /nfs/dbraw/zinc/29/36/87/746293687.db2.gz NTBBJDGFJWMUME-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194154747 746293690 /nfs/dbraw/zinc/29/36/90/746293690.db2.gz NTBBJDGFJWMUME-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001194244187 746318895 /nfs/dbraw/zinc/31/88/95/746318895.db2.gz JVRCXJCMWOETDN-RRFJBIMHSA-N 2 1 311.470 1.233 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244187 746318902 /nfs/dbraw/zinc/31/89/02/746318902.db2.gz JVRCXJCMWOETDN-RRFJBIMHSA-N 2 1 311.470 1.233 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001194244187 746318908 /nfs/dbraw/zinc/31/89/08/746318908.db2.gz JVRCXJCMWOETDN-RRFJBIMHSA-N 2 1 311.470 1.233 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993926583 746377289 /nfs/dbraw/zinc/37/72/89/746377289.db2.gz JRTDBMKHDHLGLV-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404225 746591827 /nfs/dbraw/zinc/59/18/27/746591827.db2.gz NVPPANXOXLXVRN-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001195404225 746591828 /nfs/dbraw/zinc/59/18/28/746591828.db2.gz NVPPANXOXLXVRN-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001195404225 746591831 /nfs/dbraw/zinc/59/18/31/746591831.db2.gz NVPPANXOXLXVRN-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001195404225 746591834 /nfs/dbraw/zinc/59/18/34/746591834.db2.gz NVPPANXOXLXVRN-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCC3CCC3)C2)CC1 ZINC001031435315 746803606 /nfs/dbraw/zinc/80/36/06/746803606.db2.gz XHMDXROVTVPXIZ-UHFFFAOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3ccnc3C2)CC1 ZINC001196331360 746834118 /nfs/dbraw/zinc/83/41/18/746834118.db2.gz APCCXIUMRONXPV-MRXNPFEDSA-N 2 1 316.449 1.946 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001196918434 746996718 /nfs/dbraw/zinc/99/67/18/746996718.db2.gz QWWZQDSNSACCFR-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196918434 746996720 /nfs/dbraw/zinc/99/67/20/746996720.db2.gz QWWZQDSNSACCFR-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001196918434 746996724 /nfs/dbraw/zinc/99/67/24/746996724.db2.gz QWWZQDSNSACCFR-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001197149645 747084938 /nfs/dbraw/zinc/08/49/38/747084938.db2.gz FACZGRDXQZYSKC-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001197149645 747084943 /nfs/dbraw/zinc/08/49/43/747084943.db2.gz FACZGRDXQZYSKC-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001197149645 747084949 /nfs/dbraw/zinc/08/49/49/747084949.db2.gz FACZGRDXQZYSKC-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616520 747469980 /nfs/dbraw/zinc/46/99/80/747469980.db2.gz JHLGJFAYWLOFOQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616520 747469985 /nfs/dbraw/zinc/46/99/85/747469985.db2.gz JHLGJFAYWLOFOQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001089616520 747469991 /nfs/dbraw/zinc/46/99/91/747469991.db2.gz JHLGJFAYWLOFOQ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001036099485 752195904 /nfs/dbraw/zinc/19/59/04/752195904.db2.gz ZBQMQDSFCACJRZ-JSGCOSHPSA-N 2 1 306.410 1.362 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200806000 748351719 /nfs/dbraw/zinc/35/17/19/748351719.db2.gz OQUFKUWGKDRJGF-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200983117 748392567 /nfs/dbraw/zinc/39/25/67/748392567.db2.gz KKEOGQCARWDDJU-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)CCCO1 ZINC001201669068 748564936 /nfs/dbraw/zinc/56/49/36/748564936.db2.gz PHYZQXHFCLATSR-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296276 749138364 /nfs/dbraw/zinc/13/83/64/749138364.db2.gz SCVBNGYFUHRYQL-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995915690 749297257 /nfs/dbraw/zinc/29/72/57/749297257.db2.gz GHVOATXIRKNYTF-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC000996045354 749342443 /nfs/dbraw/zinc/34/24/43/749342443.db2.gz VUYRDLBQWJLPHA-ZDUSSCGKSA-N 2 1 310.829 1.771 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C12CC[NH+](CC1)C2 ZINC001089894940 749412889 /nfs/dbraw/zinc/41/28/89/749412889.db2.gz YIWXFASANDFWPT-NXOAAHMSSA-N 2 1 315.461 1.437 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014729918 749492491 /nfs/dbraw/zinc/49/24/91/749492491.db2.gz TVNMSENSQAYIJE-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014729918 749492495 /nfs/dbraw/zinc/49/24/95/749492495.db2.gz TVNMSENSQAYIJE-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014729918 749492502 /nfs/dbraw/zinc/49/25/02/749492502.db2.gz TVNMSENSQAYIJE-RDJZCZTQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000996524278 749640478 /nfs/dbraw/zinc/64/04/78/749640478.db2.gz OPCMVTKSTBUNQC-INIZCTEOSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2ccnc2)C1 ZINC001108107802 749733223 /nfs/dbraw/zinc/73/32/23/749733223.db2.gz HFJCFXYZMIQSQN-INIZCTEOSA-N 2 1 306.410 1.056 20 30 DDEDMP C=CCCN1CCO[C@@](C)(CNC(=O)CCn2ccnc2)C1 ZINC001108107802 749733225 /nfs/dbraw/zinc/73/32/25/749733225.db2.gz HFJCFXYZMIQSQN-INIZCTEOSA-N 2 1 306.410 1.056 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108357106 761977222 /nfs/dbraw/zinc/97/72/22/761977222.db2.gz XVTTXALCAQFOAA-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357106 761977224 /nfs/dbraw/zinc/97/72/24/761977224.db2.gz XVTTXALCAQFOAA-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357106 761977229 /nfs/dbraw/zinc/97/72/29/761977229.db2.gz XVTTXALCAQFOAA-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001039386309 761986014 /nfs/dbraw/zinc/98/60/14/761986014.db2.gz INWBHNLSBHSIAR-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039386309 761986023 /nfs/dbraw/zinc/98/60/23/761986023.db2.gz INWBHNLSBHSIAR-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001039386309 761986025 /nfs/dbraw/zinc/98/60/25/761986025.db2.gz INWBHNLSBHSIAR-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552690 750125088 /nfs/dbraw/zinc/12/50/88/750125088.db2.gz RQENKQVQRCRBML-VQIMIIECSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552690 750125090 /nfs/dbraw/zinc/12/50/90/750125090.db2.gz RQENKQVQRCRBML-VQIMIIECSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552690 750125092 /nfs/dbraw/zinc/12/50/92/750125092.db2.gz RQENKQVQRCRBML-VQIMIIECSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609489 750233715 /nfs/dbraw/zinc/23/37/15/750233715.db2.gz UXPIGNNBSKWMEH-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111020961 750310420 /nfs/dbraw/zinc/31/04/20/750310420.db2.gz MKYGPBPLAYFGRC-HZMVEIRTSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020961 750310427 /nfs/dbraw/zinc/31/04/27/750310427.db2.gz MKYGPBPLAYFGRC-HZMVEIRTSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001111020961 750310433 /nfs/dbraw/zinc/31/04/33/750310433.db2.gz MKYGPBPLAYFGRC-HZMVEIRTSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001034046281 750312359 /nfs/dbraw/zinc/31/23/59/750312359.db2.gz RKUCGTGCKHMENV-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463892 750444586 /nfs/dbraw/zinc/44/45/86/750444586.db2.gz WCYBQXVKNYONPC-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001077777568 750618856 /nfs/dbraw/zinc/61/88/56/750618856.db2.gz QVPFKBHDFSSRKB-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001045531082 750691721 /nfs/dbraw/zinc/69/17/21/750691721.db2.gz CXBWOSYPIRVQAR-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001034693373 750729129 /nfs/dbraw/zinc/72/91/29/750729129.db2.gz XJFFVTBJKRZBSK-HDJSIYSDSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001034719674 750767543 /nfs/dbraw/zinc/76/75/43/750767543.db2.gz WWTSOTUVPYXSHX-BZUAXINKSA-N 2 1 314.433 1.404 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107952665 750826432 /nfs/dbraw/zinc/82/64/32/750826432.db2.gz JCUDPQHYNGDQKQ-NUJGCVRESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952665 750826441 /nfs/dbraw/zinc/82/64/41/750826441.db2.gz JCUDPQHYNGDQKQ-NUJGCVRESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107952665 750826449 /nfs/dbraw/zinc/82/64/49/750826449.db2.gz JCUDPQHYNGDQKQ-NUJGCVRESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001032445296 750860400 /nfs/dbraw/zinc/86/04/00/750860400.db2.gz CVRPOEQKRBHTRD-OKZBNKHCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001032445296 750860408 /nfs/dbraw/zinc/86/04/08/750860408.db2.gz CVRPOEQKRBHTRD-OKZBNKHCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032445296 750860419 /nfs/dbraw/zinc/86/04/19/750860419.db2.gz CVRPOEQKRBHTRD-OKZBNKHCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001032445296 750860424 /nfs/dbraw/zinc/86/04/24/750860424.db2.gz CVRPOEQKRBHTRD-OKZBNKHCSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032540022 751226163 /nfs/dbraw/zinc/22/61/63/751226163.db2.gz NPIVINCFLJZABM-YESZJQIVSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032540022 751226167 /nfs/dbraw/zinc/22/61/67/751226167.db2.gz NPIVINCFLJZABM-YESZJQIVSA-N 2 1 301.434 1.169 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035225793 751302769 /nfs/dbraw/zinc/30/27/69/751302769.db2.gz AAVYABSSWLTMCS-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035225793 751302775 /nfs/dbraw/zinc/30/27/75/751302775.db2.gz AAVYABSSWLTMCS-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035225793 751302781 /nfs/dbraw/zinc/30/27/81/751302781.db2.gz AAVYABSSWLTMCS-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000708133 762116302 /nfs/dbraw/zinc/11/63/02/762116302.db2.gz LXKYRFMAXFOREI-KRWDZBQOSA-N 2 1 303.450 1.653 20 30 DDEDMP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001010370407 753823442 /nfs/dbraw/zinc/82/34/42/753823442.db2.gz WLXOFPDNAAJJME-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001010370407 753823450 /nfs/dbraw/zinc/82/34/50/753823450.db2.gz WLXOFPDNAAJJME-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001010370407 753823454 /nfs/dbraw/zinc/82/34/54/753823454.db2.gz WLXOFPDNAAJJME-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001010370407 753823460 /nfs/dbraw/zinc/82/34/60/753823460.db2.gz WLXOFPDNAAJJME-SJORKVTESA-N 2 1 312.417 1.343 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040136931 762403855 /nfs/dbraw/zinc/40/38/55/762403855.db2.gz KSRUNWVIFOCSLI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040136931 762403856 /nfs/dbraw/zinc/40/38/56/762403856.db2.gz KSRUNWVIFOCSLI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136931 762403860 /nfs/dbraw/zinc/40/38/60/762403860.db2.gz KSRUNWVIFOCSLI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040136931 762403867 /nfs/dbraw/zinc/40/38/67/762403867.db2.gz KSRUNWVIFOCSLI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001000967190 762422857 /nfs/dbraw/zinc/42/28/57/762422857.db2.gz GJQZBBJBHFHFMJ-KGLIPLIRSA-N 2 1 315.845 1.040 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001000967190 762422858 /nfs/dbraw/zinc/42/28/58/762422858.db2.gz GJQZBBJBHFHFMJ-KGLIPLIRSA-N 2 1 315.845 1.040 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014730895 755911439 /nfs/dbraw/zinc/91/14/39/755911439.db2.gz XVXMAKKOJKXRNT-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014730895 755911441 /nfs/dbraw/zinc/91/14/41/755911441.db2.gz XVXMAKKOJKXRNT-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014730895 755911442 /nfs/dbraw/zinc/91/14/42/755911442.db2.gz XVXMAKKOJKXRNT-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014730895 755911444 /nfs/dbraw/zinc/91/14/44/755911444.db2.gz XVXMAKKOJKXRNT-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097213516 756982639 /nfs/dbraw/zinc/98/26/39/756982639.db2.gz HFPOBIDNGCUMAJ-VQHPVUNQSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097213516 756982644 /nfs/dbraw/zinc/98/26/44/756982644.db2.gz HFPOBIDNGCUMAJ-VQHPVUNQSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097213516 756982653 /nfs/dbraw/zinc/98/26/53/756982653.db2.gz HFPOBIDNGCUMAJ-VQHPVUNQSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016618173 757208497 /nfs/dbraw/zinc/20/84/97/757208497.db2.gz QDYOTGMQAJRFRB-CVEARBPZSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631524 757219922 /nfs/dbraw/zinc/21/99/22/757219922.db2.gz TZGMHDAGNMZVMT-XHSDSOJGSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700951 757791825 /nfs/dbraw/zinc/79/18/25/757791825.db2.gz IFHDXWSFNNHEAG-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052872274 757909465 /nfs/dbraw/zinc/90/94/65/757909465.db2.gz ZYPWFBGFYWPGJK-AWEZNQCLSA-N 2 1 300.406 1.365 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084851486 757977389 /nfs/dbraw/zinc/97/73/89/757977389.db2.gz FBGJYRIXWRNNHM-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133169 758569041 /nfs/dbraw/zinc/56/90/41/758569041.db2.gz UVFRAKVSVTUBBL-CALCHBBNSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001018133169 758569047 /nfs/dbraw/zinc/56/90/47/758569047.db2.gz UVFRAKVSVTUBBL-CALCHBBNSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115302814 762636343 /nfs/dbraw/zinc/63/63/43/762636343.db2.gz VSMZJLVQOQCLMB-LTIDMASMSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001040706585 762655505 /nfs/dbraw/zinc/65/55/05/762655505.db2.gz WXPKJALHOZCNLQ-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001040725135 762660870 /nfs/dbraw/zinc/66/08/70/762660870.db2.gz XMNUBWPUBXNLSG-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001053891579 758925103 /nfs/dbraw/zinc/92/51/03/758925103.db2.gz VTPHZZFZDUFBKT-HNNXBMFYSA-N 2 1 321.465 1.396 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018635081 759055489 /nfs/dbraw/zinc/05/54/89/759055489.db2.gz NAMJNCVKPJBBBI-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054099104 759164243 /nfs/dbraw/zinc/16/42/43/759164243.db2.gz AQDGPCQXLJDHDV-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099104 759164246 /nfs/dbraw/zinc/16/42/46/759164246.db2.gz AQDGPCQXLJDHDV-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099104 759164248 /nfs/dbraw/zinc/16/42/48/759164248.db2.gz AQDGPCQXLJDHDV-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054159284 759240723 /nfs/dbraw/zinc/24/07/23/759240723.db2.gz JHPPOKGSSZXESE-SFHVURJKSA-N 2 1 315.461 1.563 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097972176 760313215 /nfs/dbraw/zinc/31/32/15/760313215.db2.gz PVSNZCVRUDZCGP-VQHPVUNQSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085856191 760395310 /nfs/dbraw/zinc/39/53/10/760395310.db2.gz SWDHYVFZTBOLDK-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856191 760395322 /nfs/dbraw/zinc/39/53/22/760395322.db2.gz SWDHYVFZTBOLDK-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001085856191 760395335 /nfs/dbraw/zinc/39/53/35/760395335.db2.gz SWDHYVFZTBOLDK-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001108220977 760509826 /nfs/dbraw/zinc/50/98/26/760509826.db2.gz QODPVHMWWKYNDS-DOTOQJQBSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918301 760527982 /nfs/dbraw/zinc/52/79/82/760527982.db2.gz ZGDVQSWJIKOBNP-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085918301 760527984 /nfs/dbraw/zinc/52/79/84/760527984.db2.gz ZGDVQSWJIKOBNP-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001046850233 767982795 /nfs/dbraw/zinc/98/27/95/767982795.db2.gz PTBCMHLRYRJPJW-WMZOPIPTSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001086087249 760947013 /nfs/dbraw/zinc/94/70/13/760947013.db2.gz UIFIBRNJYFKZMS-ZACQAIPSSA-N 2 1 317.477 1.759 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086106495 760991133 /nfs/dbraw/zinc/99/11/33/760991133.db2.gz LSZYMTZZSXYLRI-UXLLHSPISA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041168598 762853846 /nfs/dbraw/zinc/85/38/46/762853846.db2.gz WQSUNEFTIHDNJQ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041168598 762853851 /nfs/dbraw/zinc/85/38/51/762853851.db2.gz WQSUNEFTIHDNJQ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041168598 762853859 /nfs/dbraw/zinc/85/38/59/762853859.db2.gz WQSUNEFTIHDNJQ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041168598 762853867 /nfs/dbraw/zinc/85/38/67/762853867.db2.gz WQSUNEFTIHDNJQ-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC=C)CC1 ZINC001001491785 762912233 /nfs/dbraw/zinc/91/22/33/762912233.db2.gz KQZGGGWEWVVODP-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC=C)CC1 ZINC001001491785 762912239 /nfs/dbraw/zinc/91/22/39/762912239.db2.gz KQZGGGWEWVVODP-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764845 762925046 /nfs/dbraw/zinc/92/50/46/762925046.db2.gz YMFTUFNTQKMKGO-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001108766536 762926294 /nfs/dbraw/zinc/92/62/94/762926294.db2.gz ZPHHKCWGLGQGJJ-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001001574472 762971987 /nfs/dbraw/zinc/97/19/87/762971987.db2.gz RBZOKPSUPWKVMT-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377334 762988607 /nfs/dbraw/zinc/98/86/07/762988607.db2.gz ATPXMXJVRBJDKN-FUHWJXTLSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183861 763281541 /nfs/dbraw/zinc/28/15/41/763281541.db2.gz VPMANBQPRGJKNC-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183861 763281549 /nfs/dbraw/zinc/28/15/49/763281549.db2.gz VPMANBQPRGJKNC-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183861 763281555 /nfs/dbraw/zinc/28/15/55/763281555.db2.gz VPMANBQPRGJKNC-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844578 763400760 /nfs/dbraw/zinc/40/07/60/763400760.db2.gz LKKVEKOBWQMZPZ-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563141 763757341 /nfs/dbraw/zinc/75/73/41/763757341.db2.gz IKBGWSOKLFIQFC-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050727964 763967286 /nfs/dbraw/zinc/96/72/86/763967286.db2.gz NZTMKXSLRFOVAW-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131681760 768259368 /nfs/dbraw/zinc/25/93/68/768259368.db2.gz HVEKMVUHCVZYPA-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC)C3)CC1 ZINC001047208284 768315447 /nfs/dbraw/zinc/31/54/47/768315447.db2.gz CHTPASNFCABREE-SZMVWBNQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC001052456093 765845093 /nfs/dbraw/zinc/84/50/93/765845093.db2.gz BGIQVWWFISMLGS-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=C)C)CC1 ZINC001052456093 765845099 /nfs/dbraw/zinc/84/50/99/765845099.db2.gz BGIQVWWFISMLGS-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=C)C)CC1 ZINC001052456093 765845102 /nfs/dbraw/zinc/84/51/02/765845102.db2.gz BGIQVWWFISMLGS-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=C)C)CC1 ZINC001052456093 765845106 /nfs/dbraw/zinc/84/51/06/765845106.db2.gz BGIQVWWFISMLGS-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP [NH3+]C1CCN(c2nc(NCC#Cc3ccccc3)cc[nH+]2)CC1 ZINC001170425830 766485069 /nfs/dbraw/zinc/48/50/69/766485069.db2.gz GPWQUAPJDVOJRV-UHFFFAOYSA-N 2 1 307.401 1.868 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045922064 766702351 /nfs/dbraw/zinc/70/23/51/766702351.db2.gz YAZJIJUSTGPNAQ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045922064 766702354 /nfs/dbraw/zinc/70/23/54/766702354.db2.gz YAZJIJUSTGPNAQ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045922064 766702358 /nfs/dbraw/zinc/70/23/58/766702358.db2.gz YAZJIJUSTGPNAQ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001129791081 766996705 /nfs/dbraw/zinc/99/67/05/766996705.db2.gz QTEHBDGOOIXLAJ-WMZOPIPTSA-N 2 1 313.445 1.859 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC001129791081 766996706 /nfs/dbraw/zinc/99/67/06/766996706.db2.gz QTEHBDGOOIXLAJ-WMZOPIPTSA-N 2 1 313.445 1.859 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047380396 768436917 /nfs/dbraw/zinc/43/69/17/768436917.db2.gz MMSTXXGGCWZESJ-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380396 768436922 /nfs/dbraw/zinc/43/69/22/768436922.db2.gz MMSTXXGGCWZESJ-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047380396 768436925 /nfs/dbraw/zinc/43/69/25/768436925.db2.gz MMSTXXGGCWZESJ-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@@H]1C ZINC001071515006 769543045 /nfs/dbraw/zinc/54/30/45/769543045.db2.gz QZJXUDCFUWXUHH-LSDHHAIUSA-N 2 1 319.453 1.213 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133263103 769642605 /nfs/dbraw/zinc/64/26/05/769642605.db2.gz PIIISRAJFWACEQ-IRXDYDNUSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133314185 769704045 /nfs/dbraw/zinc/70/40/45/769704045.db2.gz MCVHVRUGVVFVKU-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133318098 769706681 /nfs/dbraw/zinc/70/66/81/769706681.db2.gz FCCPLSKWBUVLDO-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2C1 ZINC001048870239 770023795 /nfs/dbraw/zinc/02/37/95/770023795.db2.gz UEDFBOIOWJJZRV-VTTDZUNHSA-N 2 1 321.852 1.227 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2C1 ZINC001048870239 770023804 /nfs/dbraw/zinc/02/38/04/770023804.db2.gz UEDFBOIOWJJZRV-VTTDZUNHSA-N 2 1 321.852 1.227 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2C1 ZINC001048870239 770023818 /nfs/dbraw/zinc/02/38/18/770023818.db2.gz UEDFBOIOWJJZRV-VTTDZUNHSA-N 2 1 321.852 1.227 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C/C=C/Cl)C[C@@H]2C1 ZINC001048870239 770023830 /nfs/dbraw/zinc/02/38/30/770023830.db2.gz UEDFBOIOWJJZRV-VTTDZUNHSA-N 2 1 321.852 1.227 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@H]2C1 ZINC001048911667 770097765 /nfs/dbraw/zinc/09/77/65/770097765.db2.gz NZGQSOOWJPECPT-GASCZTMLSA-N 2 1 310.401 1.833 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959966 770169077 /nfs/dbraw/zinc/16/90/77/770169077.db2.gz PTYUXSOJYCDFOZ-FGTMMUONSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=C)C)C1 ZINC001086720744 770855710 /nfs/dbraw/zinc/85/57/10/770855710.db2.gz LWJJWASXRAHDRE-BBWFWOEESA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=C)C)C1 ZINC001086720744 770855722 /nfs/dbraw/zinc/85/57/22/770855722.db2.gz LWJJWASXRAHDRE-BBWFWOEESA-N 2 1 303.450 1.535 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049463879 770884158 /nfs/dbraw/zinc/88/41/58/770884158.db2.gz KEGPITZWLOAFTF-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049463879 770884164 /nfs/dbraw/zinc/88/41/64/770884164.db2.gz KEGPITZWLOAFTF-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001049463879 770884178 /nfs/dbraw/zinc/88/41/78/770884178.db2.gz KEGPITZWLOAFTF-KURKYZTESA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049524482 770975503 /nfs/dbraw/zinc/97/55/03/770975503.db2.gz MLQUMLMURDQAJF-ZACQAIPSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049663073 771063482 /nfs/dbraw/zinc/06/34/82/771063482.db2.gz KTPQNWJFFXZEPX-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049663073 771063487 /nfs/dbraw/zinc/06/34/87/771063487.db2.gz KTPQNWJFFXZEPX-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049709261 771102988 /nfs/dbraw/zinc/10/29/88/771102988.db2.gz IAGHEQZGTMYEFA-YESZJQIVSA-N 2 1 305.466 1.661 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049719808 771112326 /nfs/dbraw/zinc/11/23/26/771112326.db2.gz NWUBRNXYKSHDTG-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049719808 771112329 /nfs/dbraw/zinc/11/23/29/771112329.db2.gz NWUBRNXYKSHDTG-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049719808 771112332 /nfs/dbraw/zinc/11/23/32/771112332.db2.gz NWUBRNXYKSHDTG-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC)CC1 ZINC001049920313 771262010 /nfs/dbraw/zinc/26/20/10/771262010.db2.gz RXPMTDRNSFHZLR-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020950 771281392 /nfs/dbraw/zinc/28/13/92/771281392.db2.gz KHEJIRJKSNLWBK-CABCVRRESA-N 2 1 316.449 1.658 20 30 DDEDMP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135678792 771646154 /nfs/dbraw/zinc/64/61/54/771646154.db2.gz ININAMLYDVEUCI-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661974 773275868 /nfs/dbraw/zinc/27/58/68/773275868.db2.gz FSIHELULLANBOF-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661974 773275874 /nfs/dbraw/zinc/27/58/74/773275874.db2.gz FSIHELULLANBOF-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661974 773275880 /nfs/dbraw/zinc/27/58/80/773275880.db2.gz FSIHELULLANBOF-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748742 773591072 /nfs/dbraw/zinc/59/10/72/773591072.db2.gz XESQBGWNEDIDCP-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748742 773591075 /nfs/dbraw/zinc/59/10/75/773591075.db2.gz XESQBGWNEDIDCP-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748742 773591081 /nfs/dbraw/zinc/59/10/81/773591081.db2.gz XESQBGWNEDIDCP-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001148798139 773603956 /nfs/dbraw/zinc/60/39/56/773603956.db2.gz YNRRNRQOWKLVKO-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001148798139 773603959 /nfs/dbraw/zinc/60/39/59/773603959.db2.gz YNRRNRQOWKLVKO-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001148798139 773603961 /nfs/dbraw/zinc/60/39/61/773603961.db2.gz YNRRNRQOWKLVKO-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001148798139 773603965 /nfs/dbraw/zinc/60/39/65/773603965.db2.gz YNRRNRQOWKLVKO-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074326758 773824963 /nfs/dbraw/zinc/82/49/63/773824963.db2.gz JZSQDBIYZLWZCU-IRXDYDNUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074326758 773824967 /nfs/dbraw/zinc/82/49/67/773824967.db2.gz JZSQDBIYZLWZCU-IRXDYDNUSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092061084 773931490 /nfs/dbraw/zinc/93/14/90/773931490.db2.gz JZHWUXPFLUOONY-QAPCUYQASA-N 2 1 314.433 1.420 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092061084 773931494 /nfs/dbraw/zinc/93/14/94/773931494.db2.gz JZHWUXPFLUOONY-QAPCUYQASA-N 2 1 314.433 1.420 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794661 774642508 /nfs/dbraw/zinc/64/25/08/774642508.db2.gz ZDOBVBAIZWWTKM-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)CC ZINC001099130363 774856204 /nfs/dbraw/zinc/85/62/04/774856204.db2.gz KQXFSEHTVFNFQY-OAHLLOKOSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130363 774856214 /nfs/dbraw/zinc/85/62/14/774856214.db2.gz KQXFSEHTVFNFQY-OAHLLOKOSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)CC ZINC001099130363 774856220 /nfs/dbraw/zinc/85/62/20/774856220.db2.gz KQXFSEHTVFNFQY-OAHLLOKOSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036855078 774943614 /nfs/dbraw/zinc/94/36/14/774943614.db2.gz VNBJEGWQVCBTTB-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001099342481 774953993 /nfs/dbraw/zinc/95/39/93/774953993.db2.gz PAHFYBNDUKUBMW-VXGBXAGGSA-N 2 1 316.327 1.356 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099554138 775026914 /nfs/dbraw/zinc/02/69/14/775026914.db2.gz XPNNFEUXEVFEFJ-MLHJIOFPSA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099554138 775026919 /nfs/dbraw/zinc/02/69/19/775026919.db2.gz XPNNFEUXEVFEFJ-MLHJIOFPSA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@@H+](C)C(C)C ZINC001099554138 775026927 /nfs/dbraw/zinc/02/69/27/775026927.db2.gz XPNNFEUXEVFEFJ-MLHJIOFPSA-N 2 1 317.477 1.519 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013856 775569456 /nfs/dbraw/zinc/56/94/56/775569456.db2.gz UAXQGUVCNSXMBW-LSDHHAIUSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013856 775569461 /nfs/dbraw/zinc/56/94/61/775569461.db2.gz UAXQGUVCNSXMBW-LSDHHAIUSA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100013856 775569465 /nfs/dbraw/zinc/56/94/65/775569465.db2.gz UAXQGUVCNSXMBW-LSDHHAIUSA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127552 775712525 /nfs/dbraw/zinc/71/25/25/775712525.db2.gz WUCHTXYEHAGGJA-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC)CC2 ZINC001094436264 775855671 /nfs/dbraw/zinc/85/56/71/775855671.db2.gz HFUJJXUMPGDXDE-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001094436264 775855675 /nfs/dbraw/zinc/85/56/75/775855675.db2.gz HFUJJXUMPGDXDE-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001094436264 775855679 /nfs/dbraw/zinc/85/56/79/775855679.db2.gz HFUJJXUMPGDXDE-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC)CC2 ZINC001094436264 775855683 /nfs/dbraw/zinc/85/56/83/775855683.db2.gz HFUJJXUMPGDXDE-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369750 778100575 /nfs/dbraw/zinc/10/05/75/778100575.db2.gz FWWZFCXFSKOWAO-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369750 778100582 /nfs/dbraw/zinc/10/05/82/778100582.db2.gz FWWZFCXFSKOWAO-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC001102369750 778100587 /nfs/dbraw/zinc/10/05/87/778100587.db2.gz FWWZFCXFSKOWAO-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102601524 778233163 /nfs/dbraw/zinc/23/31/63/778233163.db2.gz HADHUVRURPEDIW-NXHRZFHOSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102601524 778233167 /nfs/dbraw/zinc/23/31/67/778233167.db2.gz HADHUVRURPEDIW-NXHRZFHOSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426780 778860072 /nfs/dbraw/zinc/86/00/72/778860072.db2.gz MQBKJBXBDXBSLM-BRWVUGGUSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178106621 778873980 /nfs/dbraw/zinc/87/39/80/778873980.db2.gz GKAODJQGGBLRAQ-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178106621 778873986 /nfs/dbraw/zinc/87/39/86/778873986.db2.gz GKAODJQGGBLRAQ-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103720193 779010657 /nfs/dbraw/zinc/01/06/57/779010657.db2.gz LUHCYZBXRIWOSJ-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103720193 779010665 /nfs/dbraw/zinc/01/06/65/779010665.db2.gz LUHCYZBXRIWOSJ-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103720193 779010673 /nfs/dbraw/zinc/01/06/73/779010673.db2.gz LUHCYZBXRIWOSJ-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCOC ZINC001178722286 779137793 /nfs/dbraw/zinc/13/77/93/779137793.db2.gz GCAAJBBWAGTEES-KRWDZBQOSA-N 2 1 323.481 1.387 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCCOC ZINC001178722286 779137800 /nfs/dbraw/zinc/13/78/00/779137800.db2.gz GCAAJBBWAGTEES-KRWDZBQOSA-N 2 1 323.481 1.387 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001104034156 779258699 /nfs/dbraw/zinc/25/86/99/779258699.db2.gz VDQDRRPJRMQFMI-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001104034156 779258704 /nfs/dbraw/zinc/25/87/04/779258704.db2.gz VDQDRRPJRMQFMI-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001179370619 779363333 /nfs/dbraw/zinc/36/33/33/779363333.db2.gz DSUFLZCIGITWNZ-INIZCTEOSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001179420476 779378375 /nfs/dbraw/zinc/37/83/75/779378375.db2.gz KURUEKXROPRLFK-LXZKKBNFSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001111821037 779497076 /nfs/dbraw/zinc/49/70/76/779497076.db2.gz HUCJBDPMBSOOLU-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115290166 780009638 /nfs/dbraw/zinc/00/96/38/780009638.db2.gz OKYHTSLMTODAEL-FOLVSLTJSA-N 2 1 311.857 1.661 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115290166 780009649 /nfs/dbraw/zinc/00/96/49/780009649.db2.gz OKYHTSLMTODAEL-FOLVSLTJSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CCCCC1 ZINC001115577750 780246308 /nfs/dbraw/zinc/24/63/08/780246308.db2.gz HLKMDLBFBIWVEX-KRWDZBQOSA-N 2 1 315.461 1.516 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)CCCCC1 ZINC001115577750 780246313 /nfs/dbraw/zinc/24/63/13/780246313.db2.gz HLKMDLBFBIWVEX-KRWDZBQOSA-N 2 1 315.461 1.516 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001119297409 781396864 /nfs/dbraw/zinc/39/68/64/781396864.db2.gz MXSHJTOEKZFXJV-XHSDSOJGSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001119297409 781396873 /nfs/dbraw/zinc/39/68/73/781396873.db2.gz MXSHJTOEKZFXJV-XHSDSOJGSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267174745 837470587 /nfs/dbraw/zinc/47/05/87/837470587.db2.gz KLUXOWYEISYQFQ-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267298479 837776801 /nfs/dbraw/zinc/77/68/01/837776801.db2.gz OAIGSZLKJRKWDQ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001266373888 836185347 /nfs/dbraw/zinc/18/53/47/836185347.db2.gz NSBPHJASPRQSSA-MRXNPFEDSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001266472066 836312104 /nfs/dbraw/zinc/31/21/04/836312104.db2.gz BVPPJUSWTUCSHM-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266472066 836312117 /nfs/dbraw/zinc/31/21/17/836312117.db2.gz BVPPJUSWTUCSHM-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266472066 836312129 /nfs/dbraw/zinc/31/21/29/836312129.db2.gz BVPPJUSWTUCSHM-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266472066 836312145 /nfs/dbraw/zinc/31/21/45/836312145.db2.gz BVPPJUSWTUCSHM-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266472066 836312160 /nfs/dbraw/zinc/31/21/60/836312160.db2.gz BVPPJUSWTUCSHM-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001266488739 836339291 /nfs/dbraw/zinc/33/92/91/836339291.db2.gz OROBRSNUIMUVAV-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001266488739 836339307 /nfs/dbraw/zinc/33/93/07/836339307.db2.gz OROBRSNUIMUVAV-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001266488739 836339321 /nfs/dbraw/zinc/33/93/21/836339321.db2.gz OROBRSNUIMUVAV-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC=C(C)C)C1 ZINC001266793839 836844682 /nfs/dbraw/zinc/84/46/82/836844682.db2.gz UBHXWVNHHNSMOK-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC=C(C)C)C1 ZINC001266793839 836844686 /nfs/dbraw/zinc/84/46/86/836844686.db2.gz UBHXWVNHHNSMOK-MSOLQXFVSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1cccs1 ZINC001267386454 837966373 /nfs/dbraw/zinc/96/63/73/837966373.db2.gz IUJBGMMHVOJRAY-INIZCTEOSA-N 2 1 319.474 1.436 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCc1cccs1 ZINC001267386454 837966377 /nfs/dbraw/zinc/96/63/77/837966377.db2.gz IUJBGMMHVOJRAY-INIZCTEOSA-N 2 1 319.474 1.436 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267545914 838281950 /nfs/dbraw/zinc/28/19/50/838281950.db2.gz YAMCBCZNTBEVGI-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267563090 838313818 /nfs/dbraw/zinc/31/38/18/838313818.db2.gz RLJIROUKPGHRIE-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267563090 838313827 /nfs/dbraw/zinc/31/38/27/838313827.db2.gz RLJIROUKPGHRIE-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001267570668 838329120 /nfs/dbraw/zinc/32/91/20/838329120.db2.gz DCRIJPCCRNAORY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001267570668 838329123 /nfs/dbraw/zinc/32/91/23/838329123.db2.gz DCRIJPCCRNAORY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267570668 838329126 /nfs/dbraw/zinc/32/91/26/838329126.db2.gz DCRIJPCCRNAORY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001267570668 838329130 /nfs/dbraw/zinc/32/91/30/838329130.db2.gz DCRIJPCCRNAORY-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576572 838346309 /nfs/dbraw/zinc/34/63/09/838346309.db2.gz SYTIHCLSQFGSCK-INIZCTEOSA-N 2 1 316.449 1.858 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576572 838346311 /nfs/dbraw/zinc/34/63/11/838346311.db2.gz SYTIHCLSQFGSCK-INIZCTEOSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001267598675 838399580 /nfs/dbraw/zinc/39/95/80/838399580.db2.gz MMNXHOQTCMWTNO-INIZCTEOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001267598675 838399585 /nfs/dbraw/zinc/39/95/85/838399585.db2.gz MMNXHOQTCMWTNO-INIZCTEOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001267598675 838399589 /nfs/dbraw/zinc/39/95/89/838399589.db2.gz MMNXHOQTCMWTNO-INIZCTEOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001267598675 838399592 /nfs/dbraw/zinc/39/95/92/838399592.db2.gz MMNXHOQTCMWTNO-INIZCTEOSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC(C)C ZINC001267709847 838693311 /nfs/dbraw/zinc/69/33/11/838693311.db2.gz XPNBGHRCTBQLJX-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC(C)C ZINC001267709847 838693314 /nfs/dbraw/zinc/69/33/14/838693314.db2.gz XPNBGHRCTBQLJX-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC(C)C ZINC001267709847 838693319 /nfs/dbraw/zinc/69/33/19/838693319.db2.gz XPNBGHRCTBQLJX-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC(C)C ZINC001267709847 838693323 /nfs/dbraw/zinc/69/33/23/838693323.db2.gz XPNBGHRCTBQLJX-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001268065183 839638874 /nfs/dbraw/zinc/63/88/74/839638874.db2.gz XCFJJWQBFFRHSC-LSDHHAIUSA-N 2 1 304.438 1.856 20 30 DDEDMP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001268181231 839802242 /nfs/dbraw/zinc/80/22/42/839802242.db2.gz WEZDNFAUKURBAA-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268322421 839998512 /nfs/dbraw/zinc/99/85/12/839998512.db2.gz DWBZSBIJEDDNTH-CVEARBPZSA-N 2 1 311.470 1.282 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC#CCOC ZINC001268776938 840783861 /nfs/dbraw/zinc/78/38/61/840783861.db2.gz RZKUDODCAZPUPF-IRXDYDNUSA-N 2 1 323.481 1.243 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001268955993 841041005 /nfs/dbraw/zinc/04/10/05/841041005.db2.gz WKMMOLDDRBBWGL-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001268955993 841041013 /nfs/dbraw/zinc/04/10/13/841041013.db2.gz WKMMOLDDRBBWGL-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)C1CCCCC1 ZINC001268955993 841041021 /nfs/dbraw/zinc/04/10/21/841041021.db2.gz WKMMOLDDRBBWGL-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001268955993 841041029 /nfs/dbraw/zinc/04/10/29/841041029.db2.gz WKMMOLDDRBBWGL-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001269072991 841172652 /nfs/dbraw/zinc/17/26/52/841172652.db2.gz CSHAFEYKURBWFH-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001269072991 841172658 /nfs/dbraw/zinc/17/26/58/841172658.db2.gz CSHAFEYKURBWFH-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001269143072 841262006 /nfs/dbraw/zinc/26/20/06/841262006.db2.gz XWFSBNRIVOHIRT-OAHLLOKOSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001269143072 841262012 /nfs/dbraw/zinc/26/20/12/841262012.db2.gz XWFSBNRIVOHIRT-OAHLLOKOSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001269143072 841262018 /nfs/dbraw/zinc/26/20/18/841262018.db2.gz XWFSBNRIVOHIRT-OAHLLOKOSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001269143072 841262022 /nfs/dbraw/zinc/26/20/22/841262022.db2.gz XWFSBNRIVOHIRT-OAHLLOKOSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001269333214 841530271 /nfs/dbraw/zinc/53/02/71/841530271.db2.gz UIVDMJFVSWGSDR-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001269413633 841622516 /nfs/dbraw/zinc/62/25/16/841622516.db2.gz XGIOJIYAOJPABF-DOTOQJQBSA-N 2 1 305.466 1.901 20 30 DDEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001270010790 842223137 /nfs/dbraw/zinc/22/31/37/842223137.db2.gz LQFUVWLPLFDFRT-ULQDDVLXSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001270136018 842324807 /nfs/dbraw/zinc/32/48/07/842324807.db2.gz AKGKQQYXCQLSIV-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001270656052 842780128 /nfs/dbraw/zinc/78/01/28/842780128.db2.gz ARTRDTJLHRXQKK-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001270656052 842780135 /nfs/dbraw/zinc/78/01/35/842780135.db2.gz ARTRDTJLHRXQKK-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001270656052 842780141 /nfs/dbraw/zinc/78/01/41/842780141.db2.gz ARTRDTJLHRXQKK-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1 ZINC001270757559 842879674 /nfs/dbraw/zinc/87/96/74/842879674.db2.gz PSLNFWXIYWWKNN-CVEARBPZSA-N 2 1 323.456 1.851 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1 ZINC001270757559 842879679 /nfs/dbraw/zinc/87/96/79/842879679.db2.gz PSLNFWXIYWWKNN-CVEARBPZSA-N 2 1 323.456 1.851 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(C)C)CCCC1 ZINC001270757660 842880535 /nfs/dbraw/zinc/88/05/35/842880535.db2.gz SEGVGSSDXRAHEW-INIZCTEOSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(C)C)CCCC1 ZINC001270757660 842880547 /nfs/dbraw/zinc/88/05/47/842880547.db2.gz SEGVGSSDXRAHEW-INIZCTEOSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001270874613 842998026 /nfs/dbraw/zinc/99/80/26/842998026.db2.gz NFVIYEZMMYBSFF-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001270874613 842998036 /nfs/dbraw/zinc/99/80/36/842998036.db2.gz NFVIYEZMMYBSFF-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001271305240 843481637 /nfs/dbraw/zinc/48/16/37/843481637.db2.gz VNZNMVZIKXFKTK-HNNXBMFYSA-N 2 1 304.438 1.760 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001409471306 845145496 /nfs/dbraw/zinc/14/54/96/845145496.db2.gz NIMCKQJZSDAATH-LSDHHAIUSA-N 2 1 316.449 1.881 20 30 DDEDMP CC[N@@H+](CC#Cc1ccccc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999532 861634844 /nfs/dbraw/zinc/63/48/44/861634844.db2.gz JKQMVEDDKMIBPB-QGZVFWFLSA-N 2 1 315.461 1.816 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000997009048 847121972 /nfs/dbraw/zinc/12/19/72/847121972.db2.gz XQNWWMFBPNGUNC-KRWDZBQOSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997078066 847291417 /nfs/dbraw/zinc/29/14/17/847291417.db2.gz DFQBLQMRKLJKEH-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCN1CC[C@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273038722 847824978 /nfs/dbraw/zinc/82/49/78/847824978.db2.gz HRWCOVNDQQEPGQ-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1C[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273039742 847826033 /nfs/dbraw/zinc/82/60/33/847826033.db2.gz USOUFIHYOWFJQC-SFHVURJKSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034203237 848093177 /nfs/dbraw/zinc/09/31/77/848093177.db2.gz CNMMQKMDKNRIPD-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250047 848157131 /nfs/dbraw/zinc/15/71/31/848157131.db2.gz OPHCCXBYEXDJGM-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034250047 848157133 /nfs/dbraw/zinc/15/71/33/848157133.db2.gz OPHCCXBYEXDJGM-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001149842153 861938100 /nfs/dbraw/zinc/93/81/00/861938100.db2.gz QFDPYBKWVDNEGU-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CO2 ZINC001273724908 851276084 /nfs/dbraw/zinc/27/60/84/851276084.db2.gz RQLCMUCAUNEVCD-CABCVRRESA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001273930366 851519934 /nfs/dbraw/zinc/51/99/34/851519934.db2.gz RXWPAMSCAAICOT-QGZVFWFLSA-N 2 1 311.470 1.238 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CCc1ccc(C#N)cc1 ZINC001274920834 852692611 /nfs/dbraw/zinc/69/26/11/852692611.db2.gz QKKPNXHQKXXQEI-OALUTQOASA-N 2 1 312.461 1.811 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)[C@@H]2C1 ZINC001275358822 853017759 /nfs/dbraw/zinc/01/77/59/853017759.db2.gz MQIQIIQCTASPOM-MAUKXSAKSA-N 2 1 316.424 1.765 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731925 862439499 /nfs/dbraw/zinc/43/94/99/862439499.db2.gz VDMWTUVNJWQCFS-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731925 862439506 /nfs/dbraw/zinc/43/95/06/862439506.db2.gz VDMWTUVNJWQCFS-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CCCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001327922502 862566082 /nfs/dbraw/zinc/56/60/82/862566082.db2.gz FWAQBGDDCKWPSQ-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1CC#N ZINC001276242331 855034916 /nfs/dbraw/zinc/03/49/16/855034916.db2.gz KJKJJILOVLJCAB-OALUTQOASA-N 2 1 312.461 1.963 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281166 855413680 /nfs/dbraw/zinc/41/36/80/855413680.db2.gz HQNYYBDEOYNYRV-OAGGEKHMSA-N 2 1 303.450 1.770 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907247 857870563 /nfs/dbraw/zinc/87/05/63/857870563.db2.gz AAAZOEGZISVKFG-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907247 857870570 /nfs/dbraw/zinc/87/05/70/857870570.db2.gz AAAZOEGZISVKFG-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907247 857870577 /nfs/dbraw/zinc/87/05/77/857870577.db2.gz AAAZOEGZISVKFG-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCCC)C3)CC1 ZINC001073457276 858353794 /nfs/dbraw/zinc/35/37/94/858353794.db2.gz JSWVXKCJXUJRCX-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001325899797 860937477 /nfs/dbraw/zinc/93/74/77/860937477.db2.gz RGFLYMMQYPUBMX-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001152426743 863343173 /nfs/dbraw/zinc/34/31/73/863343173.db2.gz NCKYORFUEJABSS-UHFFFAOYSA-N 2 1 321.852 1.738 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCC)CC1 ZINC001157092515 863568847 /nfs/dbraw/zinc/56/88/47/863568847.db2.gz YRBMOCMAYNHQPF-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001329515128 863707500 /nfs/dbraw/zinc/70/75/00/863707500.db2.gz KUOUHQJTASMBTP-ZFWWWQNUSA-N 2 1 302.422 1.214 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001329515128 863707507 /nfs/dbraw/zinc/70/75/07/863707507.db2.gz KUOUHQJTASMBTP-ZFWWWQNUSA-N 2 1 302.422 1.214 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445727 863888854 /nfs/dbraw/zinc/88/88/54/863888854.db2.gz HMTDAHBNCLUDAH-MGPQQGTHSA-N 2 1 301.862 1.906 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445727 863888861 /nfs/dbraw/zinc/88/88/61/863888861.db2.gz HMTDAHBNCLUDAH-MGPQQGTHSA-N 2 1 301.862 1.906 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445727 863888868 /nfs/dbraw/zinc/88/88/68/863888868.db2.gz HMTDAHBNCLUDAH-MGPQQGTHSA-N 2 1 301.862 1.906 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445727 863888878 /nfs/dbraw/zinc/88/88/78/863888878.db2.gz HMTDAHBNCLUDAH-MGPQQGTHSA-N 2 1 301.862 1.906 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868509 865573546 /nfs/dbraw/zinc/57/35/46/865573546.db2.gz FMFADOYFYNSMNW-KRWDZBQOSA-N 2 1 323.481 1.692 20 30 DDEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857792 866152748 /nfs/dbraw/zinc/15/27/48/866152748.db2.gz QQVOFWQCWRWAMD-HZPDHXFCSA-N 2 1 313.486 1.772 20 30 DDEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857792 866152752 /nfs/dbraw/zinc/15/27/52/866152752.db2.gz QQVOFWQCWRWAMD-HZPDHXFCSA-N 2 1 313.486 1.772 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1CC ZINC001323147683 866382350 /nfs/dbraw/zinc/38/23/50/866382350.db2.gz HMWBIFPGJQHHOP-JKSUJKDBSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001161914973 867097863 /nfs/dbraw/zinc/09/78/63/867097863.db2.gz YBXGNXPBUCSIET-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161914973 867097876 /nfs/dbraw/zinc/09/78/76/867097876.db2.gz YBXGNXPBUCSIET-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161914973 867097888 /nfs/dbraw/zinc/09/78/88/867097888.db2.gz YBXGNXPBUCSIET-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161914973 867097902 /nfs/dbraw/zinc/09/79/02/867097902.db2.gz YBXGNXPBUCSIET-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001161924398 867104930 /nfs/dbraw/zinc/10/49/30/867104930.db2.gz ATHRBZWPPNEFEC-HZPDHXFCSA-N 2 1 303.450 1.631 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)(COC)CC1 ZINC001162617489 867680718 /nfs/dbraw/zinc/68/07/18/867680718.db2.gz JLHOUKSEEJNFEQ-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001322279713 868092917 /nfs/dbraw/zinc/09/29/17/868092917.db2.gz AVHMZXVLLAHLBV-AEFFLSMTSA-N 2 1 315.461 1.815 20 30 DDEDMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001322279713 868092927 /nfs/dbraw/zinc/09/29/27/868092927.db2.gz AVHMZXVLLAHLBV-AEFFLSMTSA-N 2 1 315.461 1.815 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC001336782109 869137097 /nfs/dbraw/zinc/13/70/97/869137097.db2.gz XAAUHKQXLZQSRP-RBUKOAKNSA-N 2 1 316.445 1.548 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1cccs1 ZINC001317450897 870861714 /nfs/dbraw/zinc/86/17/14/870861714.db2.gz YVROFIBZBOVMDS-INIZCTEOSA-N 2 1 319.474 1.436 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCc1cccs1 ZINC001317450897 870861684 /nfs/dbraw/zinc/86/16/84/870861684.db2.gz YVROFIBZBOVMDS-INIZCTEOSA-N 2 1 319.474 1.436 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCc1cccs1 ZINC001317450897 870861700 /nfs/dbraw/zinc/86/17/00/870861700.db2.gz YVROFIBZBOVMDS-INIZCTEOSA-N 2 1 319.474 1.436 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCc1cccs1 ZINC001317450897 870861732 /nfs/dbraw/zinc/86/17/32/870861732.db2.gz YVROFIBZBOVMDS-INIZCTEOSA-N 2 1 319.474 1.436 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317531210 871008341 /nfs/dbraw/zinc/00/83/41/871008341.db2.gz AUFAMMDISJCPPW-INIZCTEOSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317531210 871008360 /nfs/dbraw/zinc/00/83/60/871008360.db2.gz AUFAMMDISJCPPW-INIZCTEOSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317531211 871008789 /nfs/dbraw/zinc/00/87/89/871008789.db2.gz AUFAMMDISJCPPW-MRXNPFEDSA-N 2 1 302.422 1.433 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001317531211 871008804 /nfs/dbraw/zinc/00/88/04/871008804.db2.gz AUFAMMDISJCPPW-MRXNPFEDSA-N 2 1 302.422 1.433 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204875839 871274046 /nfs/dbraw/zinc/27/40/46/871274046.db2.gz GHUHZQCJUOXWPD-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875839 871274067 /nfs/dbraw/zinc/27/40/67/871274067.db2.gz GHUHZQCJUOXWPD-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C[NH+](C)CCCC(=O)NCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001317458409 871348710 /nfs/dbraw/zinc/34/87/10/871348710.db2.gz OAVSCVJGHUNZBK-UHFFFAOYSA-N 2 1 319.424 1.567 20 30 DDEDMP C[NH+](C)CCCC(=O)NCC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001317458409 871348731 /nfs/dbraw/zinc/34/87/31/871348731.db2.gz OAVSCVJGHUNZBK-UHFFFAOYSA-N 2 1 319.424 1.567 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242015 871454570 /nfs/dbraw/zinc/45/45/70/871454570.db2.gz LKWFYRWWDGLOSX-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317809127 871534475 /nfs/dbraw/zinc/53/44/75/871534475.db2.gz LXLJMODRAKSKGK-INIZCTEOSA-N 2 1 321.465 1.113 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001205457656 871565893 /nfs/dbraw/zinc/56/58/93/871565893.db2.gz JHSHZYHMDAXINK-KRWDZBQOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001317870614 871609306 /nfs/dbraw/zinc/60/93/06/871609306.db2.gz UWIVYWAWFXCRMR-GOSISDBHSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)CCC=C)C1 ZINC001318128056 871769246 /nfs/dbraw/zinc/76/92/46/871769246.db2.gz GKHQZBANLNBWIK-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H](C)CCC=C)C1 ZINC001318128056 871769251 /nfs/dbraw/zinc/76/92/51/871769251.db2.gz GKHQZBANLNBWIK-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001316809462 872080346 /nfs/dbraw/zinc/08/03/46/872080346.db2.gz BXPQPBSRWPPNAL-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001318726422 872228793 /nfs/dbraw/zinc/22/87/93/872228793.db2.gz IINVNHJCUNINNS-WMZOPIPTSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001318726422 872228814 /nfs/dbraw/zinc/22/88/14/872228814.db2.gz IINVNHJCUNINNS-WMZOPIPTSA-N 2 1 323.481 1.548 20 30 DDEDMP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319572680 872696851 /nfs/dbraw/zinc/69/68/51/872696851.db2.gz CHVZJPGMMKYVRF-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209951397 875175348 /nfs/dbraw/zinc/17/53/48/875175348.db2.gz KSRAHVVJACDGBM-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001209951395 875176457 /nfs/dbraw/zinc/17/64/57/875176457.db2.gz KSRAHVVJACDGBM-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001210132462 875237428 /nfs/dbraw/zinc/23/74/28/875237428.db2.gz BUTFXKMVTJGGPF-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001276679880 875261159 /nfs/dbraw/zinc/26/11/59/875261159.db2.gz XHBYUAIHSLPNMY-OSYLJGHBSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001276679880 875261164 /nfs/dbraw/zinc/26/11/64/875261164.db2.gz XHBYUAIHSLPNMY-OSYLJGHBSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001276679880 875261168 /nfs/dbraw/zinc/26/11/68/875261168.db2.gz XHBYUAIHSLPNMY-OSYLJGHBSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001227464918 883031166 /nfs/dbraw/zinc/03/11/66/883031166.db2.gz VOSIPCARYCGHMV-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001215380816 876689041 /nfs/dbraw/zinc/68/90/41/876689041.db2.gz AYDOJALBPFFFPT-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001215972915 876832161 /nfs/dbraw/zinc/83/21/61/876832161.db2.gz DPIPWJAGNNPFAS-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379349729 876887650 /nfs/dbraw/zinc/88/76/50/876887650.db2.gz RLAKPOCGXPAHLN-BXUZGUMPSA-N 2 1 306.435 1.308 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218819384 877748389 /nfs/dbraw/zinc/74/83/89/877748389.db2.gz AYZVHKSBLGVIMS-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001374284276 912433177 /nfs/dbraw/zinc/43/31/77/912433177.db2.gz UGOJPXIYYGLSRD-TZMCWYRMSA-N 2 1 324.856 1.943 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640664 879987401 /nfs/dbraw/zinc/98/74/01/879987401.db2.gz WKAZEWYHEOBVBQ-QBPKDAKJSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640664 879987418 /nfs/dbraw/zinc/98/74/18/879987418.db2.gz WKAZEWYHEOBVBQ-QBPKDAKJSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640664 879987433 /nfs/dbraw/zinc/98/74/33/879987433.db2.gz WKAZEWYHEOBVBQ-QBPKDAKJSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640664 879987444 /nfs/dbraw/zinc/98/74/44/879987444.db2.gz WKAZEWYHEOBVBQ-QBPKDAKJSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221872671 880126571 /nfs/dbraw/zinc/12/65/71/880126571.db2.gz CUBZPTQNEWXXIL-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001221872671 880126583 /nfs/dbraw/zinc/12/65/83/880126583.db2.gz CUBZPTQNEWXXIL-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP N#Cc1cccc(Cl)c1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502190 880517547 /nfs/dbraw/zinc/51/75/47/880517547.db2.gz FWXHCEGTTLFLIE-HOTGVXAUSA-N 2 1 304.825 1.737 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230592229 884627775 /nfs/dbraw/zinc/62/77/75/884627775.db2.gz VOTCGSCIGJKDAR-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)C[NH+](CCOc1ccccc1C#N)C2 ZINC001277595915 885993950 /nfs/dbraw/zinc/99/39/50/885993950.db2.gz JXGYVDMEVNVBRZ-UHFFFAOYSA-N 2 1 314.433 1.116 20 30 DDEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001281613148 886872125 /nfs/dbraw/zinc/87/21/25/886872125.db2.gz NSPUOPKXLPTIFT-MRXNPFEDSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234345450 887888430 /nfs/dbraw/zinc/88/84/30/887888430.db2.gz JDFDREHYDQYARZ-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001234345454 887889736 /nfs/dbraw/zinc/88/97/36/887889736.db2.gz JDFDREHYDQYARZ-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCCN1CC[C@@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234437380 887968956 /nfs/dbraw/zinc/96/89/56/887968956.db2.gz VSMWVBNWFLJUDH-MRXNPFEDSA-N 2 1 314.433 1.318 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCC(=O)OCC ZINC001246307083 892529800 /nfs/dbraw/zinc/52/98/00/892529800.db2.gz ZRVHKGRKUWVYGH-KGLIPLIRSA-N 2 1 314.426 1.535 20 30 DDEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246313051 892532605 /nfs/dbraw/zinc/53/26/05/892532605.db2.gz RCGVDXYLMOIWTG-HOTGVXAUSA-N 3 1 323.481 1.725 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278518866 894041932 /nfs/dbraw/zinc/04/19/32/894041932.db2.gz KIDKYXXLQZFHHR-QGZVFWFLSA-N 2 1 318.421 1.201 20 30 DDEDMP C#CCOC[C@H](O)C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001251860888 894853053 /nfs/dbraw/zinc/85/30/53/894853053.db2.gz WJSYSUDIUQAPEW-GOSISDBHSA-N 2 1 308.466 1.726 20 30 DDEDMP C=C[C@@H](O)C[NH2+][C@H]1CC[C@H](N2CC[NH+](CC3CC3)CC2)CC1 ZINC001253604990 895926047 /nfs/dbraw/zinc/92/60/47/895926047.db2.gz NZQILVDUTQGGNA-KZNAEPCWSA-N 2 1 307.482 1.462 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254676212 896568726 /nfs/dbraw/zinc/56/87/26/896568726.db2.gz JALQVOUQAROWED-QZTJIDSGSA-N 2 1 302.466 1.970 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001278970276 897612933 /nfs/dbraw/zinc/61/29/33/897612933.db2.gz YMHWRHUFILLSKO-ZWKOTPCHSA-N 2 1 313.445 1.723 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001374898239 914281002 /nfs/dbraw/zinc/28/10/02/914281002.db2.gz JBCJYNPUJLTINE-AWEZNQCLSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001391139173 901026066 /nfs/dbraw/zinc/02/60/66/901026066.db2.gz GDDMHCUVTDWYOI-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001391139173 901026074 /nfs/dbraw/zinc/02/60/74/901026074.db2.gz GDDMHCUVTDWYOI-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001391139173 901026077 /nfs/dbraw/zinc/02/60/77/901026077.db2.gz GDDMHCUVTDWYOI-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001391139173 901026088 /nfs/dbraw/zinc/02/60/88/901026088.db2.gz GDDMHCUVTDWYOI-CQSZACIVSA-N 2 1 301.862 1.909 20 30 DDEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265207693 901707677 /nfs/dbraw/zinc/70/76/77/901707677.db2.gz KWPYEVBVNPVSFZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265207693 901707691 /nfs/dbraw/zinc/70/76/91/901707691.db2.gz KWPYEVBVNPVSFZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265207693 901707703 /nfs/dbraw/zinc/70/77/03/901707703.db2.gz KWPYEVBVNPVSFZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265207693 901707712 /nfs/dbraw/zinc/70/77/12/901707712.db2.gz KWPYEVBVNPVSFZ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001391512997 901886479 /nfs/dbraw/zinc/88/64/79/901886479.db2.gz WVODCLNKMOMZAX-UHFFFAOYSA-N 2 1 320.462 1.510 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC001391512997 901886489 /nfs/dbraw/zinc/88/64/89/901886489.db2.gz WVODCLNKMOMZAX-UHFFFAOYSA-N 2 1 320.462 1.510 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265509274 902081305 /nfs/dbraw/zinc/08/13/05/902081305.db2.gz XZVJIGHVOZOISG-IYARVYRRSA-N 2 1 313.445 1.615 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001265707866 902327605 /nfs/dbraw/zinc/32/76/05/902327605.db2.gz GSSCXTALCUOIKZ-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265707866 902327617 /nfs/dbraw/zinc/32/76/17/902327617.db2.gz GSSCXTALCUOIKZ-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265707866 902327635 /nfs/dbraw/zinc/32/76/35/902327635.db2.gz GSSCXTALCUOIKZ-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392568631 904490768 /nfs/dbraw/zinc/49/07/68/904490768.db2.gz RLYYSWIVCVICLM-AWEZNQCLSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001281457607 904880569 /nfs/dbraw/zinc/88/05/69/904880569.db2.gz QBMYLTIHLLGBOI-ZBFHGGJFSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001281682280 905155927 /nfs/dbraw/zinc/15/59/27/905155927.db2.gz HRZNIBLWCZKEJJ-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001371543647 905176741 /nfs/dbraw/zinc/17/67/41/905176741.db2.gz IDVDLDHEDQRLEX-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001281939203 905329283 /nfs/dbraw/zinc/32/92/83/905329283.db2.gz CGTRGFLQAYHPFP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001281939203 905329295 /nfs/dbraw/zinc/32/92/95/905329295.db2.gz CGTRGFLQAYHPFP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001281939203 905329311 /nfs/dbraw/zinc/32/93/11/905329311.db2.gz CGTRGFLQAYHPFP-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC/C=C\CC)C1 ZINC001282014707 905407482 /nfs/dbraw/zinc/40/74/82/905407482.db2.gz GSSXDWAZULAZHM-XPFSLDDWSA-N 2 1 317.477 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC/C=C\CC)C1 ZINC001282014707 905407485 /nfs/dbraw/zinc/40/74/85/905407485.db2.gz GSSXDWAZULAZHM-XPFSLDDWSA-N 2 1 317.477 1.925 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001393109336 906222618 /nfs/dbraw/zinc/22/26/18/906222618.db2.gz ULRKLQHZIUHQLL-SFHVURJKSA-N 2 1 314.433 1.591 20 30 DDEDMP COCC#CC[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001283456357 907379669 /nfs/dbraw/zinc/37/96/69/907379669.db2.gz BWYWPGWHSAXFFY-IAGOWNOFSA-N 2 1 323.481 1.099 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCCC)C1 ZINC001316630252 908015824 /nfs/dbraw/zinc/01/58/24/908015824.db2.gz SLYIEEKEFJPLSV-ULQDDVLXSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCCC)C1 ZINC001316630252 908015830 /nfs/dbraw/zinc/01/58/30/908015830.db2.gz SLYIEEKEFJPLSV-ULQDDVLXSA-N 2 1 305.466 1.759 20 30 DDEDMP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2)[NH+](C)C ZINC001284070875 908425856 /nfs/dbraw/zinc/42/58/56/908425856.db2.gz KGVHXWLYIAGESC-NUJGCVRESA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001373304834 909467767 /nfs/dbraw/zinc/46/77/67/909467767.db2.gz SGVKDEOWHKGNFX-UONOGXRCSA-N 2 1 301.862 1.859 20 30 DDEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c(F)c1 ZINC001285004969 909925747 /nfs/dbraw/zinc/92/57/47/909925747.db2.gz RMWXQGQYIJQLDS-QGZVFWFLSA-N 2 1 317.408 1.649 20 30 DDEDMP CC[C@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@]1(CC)CO ZINC000342142130 529430407 /nfs/dbraw/zinc/43/04/07/529430407.db2.gz YUEGRTCNBIFCIG-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP CC[C@]1(CO)CCC[N@H+]1CC#CC[NH+]1CCC[C@@]1(CC)CO ZINC000342142130 529430410 /nfs/dbraw/zinc/43/04/10/529430410.db2.gz YUEGRTCNBIFCIG-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP CC[C@]1(CO)CCC[N@@H+]1CC#CC[NH+]1CCC[C@@]1(CC)CO ZINC000342142130 529430412 /nfs/dbraw/zinc/43/04/12/529430412.db2.gz YUEGRTCNBIFCIG-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424137664 529761171 /nfs/dbraw/zinc/76/11/71/529761171.db2.gz CGZFLCCMVVMLGU-UONOGXRCSA-N 2 1 303.410 1.630 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)N1CCOCC1 ZINC000079917694 353582501 /nfs/dbraw/zinc/58/25/01/353582501.db2.gz KZUDXLRVSQWNCD-KRWDZBQOSA-N 2 1 316.449 1.340 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185731474 354282562 /nfs/dbraw/zinc/28/25/62/354282562.db2.gz RKAWGKAZPSFRHR-UONOGXRCSA-N 2 1 322.453 1.241 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731474 354282565 /nfs/dbraw/zinc/28/25/65/354282565.db2.gz RKAWGKAZPSFRHR-UONOGXRCSA-N 2 1 322.453 1.241 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000320909529 354530302 /nfs/dbraw/zinc/53/03/02/354530302.db2.gz UWXRAMSMCOIKFB-NXHRZFHOSA-N 2 1 315.417 1.514 20 30 DDEDMP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](Cc2ccccc2)C1 ZINC000593916353 356059017 /nfs/dbraw/zinc/05/90/17/356059017.db2.gz IWMUIHYRYLZFLO-IAGOWNOFSA-N 2 1 314.433 1.393 20 30 DDEDMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](Cc2ccccc2)C1 ZINC000593916353 356059020 /nfs/dbraw/zinc/05/90/20/356059020.db2.gz IWMUIHYRYLZFLO-IAGOWNOFSA-N 2 1 314.433 1.393 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)cc1 ZINC000597941435 357391643 /nfs/dbraw/zinc/39/16/43/357391643.db2.gz AREAQUSXRUKLOX-AWEZNQCLSA-N 2 1 302.422 1.560 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C#N)cc1 ZINC000597941435 357391646 /nfs/dbraw/zinc/39/16/46/357391646.db2.gz AREAQUSXRUKLOX-AWEZNQCLSA-N 2 1 302.422 1.560 20 30 DDEDMP N#CCc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1 ZINC000603221742 359494154 /nfs/dbraw/zinc/49/41/54/359494154.db2.gz GRUCWBXRZAHQIQ-UHFFFAOYSA-N 2 1 324.432 1.358 20 30 DDEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329955432 223053779 /nfs/dbraw/zinc/05/37/79/223053779.db2.gz OIMWTRJEEPBWJY-STQMWFEESA-N 2 1 303.410 1.186 20 30 DDEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329955432 223053780 /nfs/dbraw/zinc/05/37/80/223053780.db2.gz OIMWTRJEEPBWJY-STQMWFEESA-N 2 1 303.410 1.186 20 30 DDEDMP C=CC[C@H]1CC[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000625701252 367099241 /nfs/dbraw/zinc/09/92/41/367099241.db2.gz OHWRQQOGFKXRQH-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000348261596 223381986 /nfs/dbraw/zinc/38/19/86/223381986.db2.gz GZXSFJLPCJXNHN-YOEHRIQHSA-N 2 1 319.453 1.956 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000348261596 223381987 /nfs/dbraw/zinc/38/19/87/223381987.db2.gz GZXSFJLPCJXNHN-YOEHRIQHSA-N 2 1 319.453 1.956 20 30 DDEDMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000275190622 212182642 /nfs/dbraw/zinc/18/26/42/212182642.db2.gz CYSJEOKRMXCAPU-UHFFFAOYSA-N 2 1 300.406 1.154 20 30 DDEDMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000275190622 212182646 /nfs/dbraw/zinc/18/26/46/212182646.db2.gz CYSJEOKRMXCAPU-UHFFFAOYSA-N 2 1 300.406 1.154 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000566415199 304152351 /nfs/dbraw/zinc/15/23/51/304152351.db2.gz YGDNNGKWWDKNJM-SFHVURJKSA-N 2 1 313.449 1.554 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)CC1 ZINC000566415199 304152352 /nfs/dbraw/zinc/15/23/52/304152352.db2.gz YGDNNGKWWDKNJM-SFHVURJKSA-N 2 1 313.449 1.554 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nc(C2CC2)cs1 ZINC000153207476 407776571 /nfs/dbraw/zinc/77/65/71/407776571.db2.gz SRMKYJQZCLYQGN-UHFFFAOYSA-N 2 1 323.466 1.147 20 30 DDEDMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000247974999 408523554 /nfs/dbraw/zinc/52/35/54/408523554.db2.gz KRIRZLSJKAGDTH-DOTOQJQBSA-N 2 1 312.417 1.913 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289348231 409252475 /nfs/dbraw/zinc/25/24/75/409252475.db2.gz FUXCKHZDSSMQIZ-KRWDZBQOSA-N 2 1 324.513 1.391 20 30 DDEDMP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CC=CCC2)cc1 ZINC000279974484 409253779 /nfs/dbraw/zinc/25/37/79/409253779.db2.gz JZVJGAVOYJKVKB-UHFFFAOYSA-N 2 1 302.422 1.404 20 30 DDEDMP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CC=CCC2)cc1 ZINC000279974484 409253781 /nfs/dbraw/zinc/25/37/81/409253781.db2.gz JZVJGAVOYJKVKB-UHFFFAOYSA-N 2 1 302.422 1.404 20 30 DDEDMP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000303899051 409554535 /nfs/dbraw/zinc/55/45/35/409554535.db2.gz VXKIYHWJTNKBNS-MRXNPFEDSA-N 2 1 311.518 1.743 20 30 DDEDMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCC(c2ncc[nH]2)CC1 ZINC000328706604 409959275 /nfs/dbraw/zinc/95/92/75/409959275.db2.gz PRQPXZCHCVSYHC-CYBMUJFWSA-N 2 1 317.437 1.987 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359239201 410579876 /nfs/dbraw/zinc/57/98/76/410579876.db2.gz RKCZZSXQTQQKCS-HNNXBMFYSA-N 2 1 306.454 1.563 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000359239202 410580262 /nfs/dbraw/zinc/58/02/62/410580262.db2.gz RKCZZSXQTQQKCS-OAHLLOKOSA-N 2 1 306.454 1.563 20 30 DDEDMP C[C@@H]1[C@H](C)N(CC#CCN2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC[NH+]1C ZINC000341911064 411082900 /nfs/dbraw/zinc/08/29/00/411082900.db2.gz SOTSONDKHDEUHO-MHORFTMASA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1[C@H](C)N(CC#CCN2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@@H+]1C ZINC000341911064 411082905 /nfs/dbraw/zinc/08/29/05/411082905.db2.gz SOTSONDKHDEUHO-MHORFTMASA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1[C@H](C)N(CC#CCN2CC[NH+](C)[C@@H](C)[C@@H]2C)CC[N@H+]1C ZINC000341911064 411082909 /nfs/dbraw/zinc/08/29/09/411082909.db2.gz SOTSONDKHDEUHO-MHORFTMASA-N 2 1 306.498 1.039 20 30 DDEDMP C=C(C)CN(CC)C(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360926908 418548462 /nfs/dbraw/zinc/54/84/62/418548462.db2.gz LAQDZKICTARUGD-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261995333 222267866 /nfs/dbraw/zinc/26/78/66/222267866.db2.gz SGDKKXIYDXSCRO-GJZGRUSLSA-N 2 1 317.437 1.062 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000261660617 222253856 /nfs/dbraw/zinc/25/38/56/222253856.db2.gz NVLGUERNJIWCIP-TUVASFSCSA-N 2 1 306.454 1.333 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCS[C@@H](C(C)C)C1 ZINC000261727800 222256087 /nfs/dbraw/zinc/25/60/87/222256087.db2.gz JDRCBKSBHLTGJB-LSDHHAIUSA-N 2 1 312.527 1.977 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn2ccccc12 ZINC000262471830 222282917 /nfs/dbraw/zinc/28/29/17/222282917.db2.gz BFYJNMJMHNCNGZ-CQSZACIVSA-N 2 1 300.410 1.223 20 30 DDEDMP C[NH+](C)C1(CNC(=[NH2+])NCC2CCC2)Cc2ccccc2C1 ZINC000262529519 222286057 /nfs/dbraw/zinc/28/60/57/222286057.db2.gz MRHKBNCXVZUFEK-UHFFFAOYSA-N 2 1 300.450 1.790 20 30 DDEDMP CCOc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264057910 222311781 /nfs/dbraw/zinc/31/17/81/222311781.db2.gz BNALOQMKWUNVOL-UHFFFAOYSA-N 2 1 320.437 1.212 20 30 DDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccc(OC)cc2)C1 ZINC000264099035 222317263 /nfs/dbraw/zinc/31/72/63/222317263.db2.gz NPPXOFSMEQCUSF-HNNXBMFYSA-N 2 1 304.438 1.484 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(F)cc1 ZINC000264112638 222319112 /nfs/dbraw/zinc/31/91/12/222319112.db2.gz RMSRGTLINHOQOX-CQSZACIVSA-N 2 1 308.401 1.593 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(F)c(COC)c1 ZINC000267472235 222386959 /nfs/dbraw/zinc/38/69/59/222386959.db2.gz YCSQJRISQOGYPK-OAHLLOKOSA-N 2 1 322.428 1.861 20 30 DDEDMP C=CC[N@H+](CCC[NH2+]C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000435879322 420292319 /nfs/dbraw/zinc/29/23/19/420292319.db2.gz CDBNMSMOCJJOKZ-CQSZACIVSA-N 2 1 300.410 1.821 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000491724460 421201719 /nfs/dbraw/zinc/20/17/19/421201719.db2.gz BLTBOWVVALTDEJ-UHFFFAOYSA-N 2 1 308.470 1.550 20 30 DDEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC[C@H]1CCCC[NH+]1C ZINC000535545244 421706762 /nfs/dbraw/zinc/70/67/62/421706762.db2.gz FNEDCRMYXHCVBI-CYBMUJFWSA-N 2 1 304.442 1.602 20 30 DDEDMP C[NH+](CCCc1[nH]nc(N)c1C#N)CC[C@H]1CCCC[N@@H+]1C ZINC000535545244 421706764 /nfs/dbraw/zinc/70/67/64/421706764.db2.gz FNEDCRMYXHCVBI-CYBMUJFWSA-N 2 1 304.442 1.602 20 30 DDEDMP C[NH+](CCCc1[nH]nc(N)c1C#N)CC[C@H]1CCCC[N@H+]1C ZINC000535545244 421706767 /nfs/dbraw/zinc/70/67/67/421706767.db2.gz FNEDCRMYXHCVBI-CYBMUJFWSA-N 2 1 304.442 1.602 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCC#N)CC2)CC1 ZINC000520426375 421750551 /nfs/dbraw/zinc/75/05/51/421750551.db2.gz GXOSMDCQRNBNQV-UHFFFAOYSA-N 2 1 306.454 1.603 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@@H](C)C#N)CC2)CC1 ZINC000557524429 421775340 /nfs/dbraw/zinc/77/53/40/421775340.db2.gz GLDMHFLZMADHPK-HNNXBMFYSA-N 2 1 320.481 1.801 20 30 DDEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2 ZINC000290528800 279159972 /nfs/dbraw/zinc/15/99/72/279159972.db2.gz WKNBNIFAZFFDQR-OAHLLOKOSA-N 2 1 317.437 1.448 20 30 DDEDMP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC#CCN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000341921699 288135644 /nfs/dbraw/zinc/13/56/44/288135644.db2.gz MLCMVDSEQARHPS-FZDBZEDMSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC#CCN1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000341921699 288135646 /nfs/dbraw/zinc/13/56/46/288135646.db2.gz MLCMVDSEQARHPS-FZDBZEDMSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC#CCN1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000341921699 288135649 /nfs/dbraw/zinc/13/56/49/288135649.db2.gz MLCMVDSEQARHPS-FZDBZEDMSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000129406649 281343033 /nfs/dbraw/zinc/34/30/33/281343033.db2.gz ALDFSHHDSIWZMM-COXVUDFISA-N 2 1 323.400 1.864 20 30 DDEDMP C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000129406649 281343035 /nfs/dbraw/zinc/34/30/35/281343035.db2.gz ALDFSHHDSIWZMM-COXVUDFISA-N 2 1 323.400 1.864 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000566327759 332346360 /nfs/dbraw/zinc/34/63/60/332346360.db2.gz JDSRVQONMNGHAM-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000081361693 341287687 /nfs/dbraw/zinc/28/76/87/341287687.db2.gz MZIXKSKGPORMAR-INIZCTEOSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000491486378 526815721 /nfs/dbraw/zinc/81/57/21/526815721.db2.gz VLZILNKTGQHUOS-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000491486378 526815724 /nfs/dbraw/zinc/81/57/24/526815724.db2.gz VLZILNKTGQHUOS-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000491486378 526815730 /nfs/dbraw/zinc/81/57/30/526815730.db2.gz VLZILNKTGQHUOS-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980236333 696715422 /nfs/dbraw/zinc/71/54/22/696715422.db2.gz DGCDHJNTEZNAHI-BBWFWOEESA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179729 695169892 /nfs/dbraw/zinc/16/98/92/695169892.db2.gz PXIAXBHHPYSDBN-GOEBONIOSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972179729 695169893 /nfs/dbraw/zinc/16/98/93/695169893.db2.gz PXIAXBHHPYSDBN-GOEBONIOSA-N 2 1 302.422 1.473 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000972294993 695208597 /nfs/dbraw/zinc/20/85/97/695208597.db2.gz PXNDUEKYVVCGQS-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972294993 695208600 /nfs/dbraw/zinc/20/86/00/695208600.db2.gz PXNDUEKYVVCGQS-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000972294993 695208605 /nfs/dbraw/zinc/20/86/05/695208605.db2.gz PXNDUEKYVVCGQS-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972553077 695280370 /nfs/dbraw/zinc/28/03/70/695280370.db2.gz YBFCMCVNYRZKQW-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553077 695280372 /nfs/dbraw/zinc/28/03/72/695280372.db2.gz YBFCMCVNYRZKQW-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553077 695280374 /nfs/dbraw/zinc/28/03/74/695280374.db2.gz YBFCMCVNYRZKQW-SJLPKXTDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000977616698 696235969 /nfs/dbraw/zinc/23/59/69/696235969.db2.gz OSTMBYSTMYPUQL-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977616698 696235971 /nfs/dbraw/zinc/23/59/71/696235971.db2.gz OSTMBYSTMYPUQL-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977616698 696235973 /nfs/dbraw/zinc/23/59/73/696235973.db2.gz OSTMBYSTMYPUQL-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977616698 696235976 /nfs/dbraw/zinc/23/59/76/696235976.db2.gz OSTMBYSTMYPUQL-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978610033 696422989 /nfs/dbraw/zinc/42/29/89/696422989.db2.gz AWCBFOHJJZWUHB-XLAORIBOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978610033 696422991 /nfs/dbraw/zinc/42/29/91/696422991.db2.gz AWCBFOHJJZWUHB-XLAORIBOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978610033 696422994 /nfs/dbraw/zinc/42/29/94/696422994.db2.gz AWCBFOHJJZWUHB-XLAORIBOSA-N 2 1 319.493 1.979 20 30 DDEDMP CCc1nc(CNC(N[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)cs1 ZINC000086035516 696565017 /nfs/dbraw/zinc/56/50/17/696565017.db2.gz IVRUGOLBNVVQEA-NSHDSACASA-N 2 1 307.467 1.607 20 30 DDEDMP CCc1nc(CNC(N[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C)cs1 ZINC000086035516 696565019 /nfs/dbraw/zinc/56/50/19/696565019.db2.gz IVRUGOLBNVVQEA-NSHDSACASA-N 2 1 307.467 1.607 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981801203 696921550 /nfs/dbraw/zinc/92/15/50/696921550.db2.gz PUZOERINGPQAST-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801203 696921551 /nfs/dbraw/zinc/92/15/51/696921551.db2.gz PUZOERINGPQAST-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801203 696921553 /nfs/dbraw/zinc/92/15/53/696921553.db2.gz PUZOERINGPQAST-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013226 697002717 /nfs/dbraw/zinc/00/27/17/697002717.db2.gz OSICYXHPBPWYGA-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013226 697002721 /nfs/dbraw/zinc/00/27/21/697002721.db2.gz OSICYXHPBPWYGA-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013226 697002722 /nfs/dbraw/zinc/00/27/22/697002722.db2.gz OSICYXHPBPWYGA-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052780 697016034 /nfs/dbraw/zinc/01/60/34/697016034.db2.gz ZVJYISNXAJCCGT-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981231402 697041587 /nfs/dbraw/zinc/04/15/87/697041587.db2.gz RKQSZPVJPJDIAX-GJZGRUSLSA-N 2 1 316.449 1.965 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553839 697149385 /nfs/dbraw/zinc/14/93/85/697149385.db2.gz QZNBIRZBNIZBEY-OGWHTMIXSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553839 697149386 /nfs/dbraw/zinc/14/93/86/697149386.db2.gz QZNBIRZBNIZBEY-OGWHTMIXSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982553839 697149387 /nfs/dbraw/zinc/14/93/87/697149387.db2.gz QZNBIRZBNIZBEY-OGWHTMIXSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982737241 697174648 /nfs/dbraw/zinc/17/46/48/697174648.db2.gz YZXJSCROXCESFD-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982737241 697174649 /nfs/dbraw/zinc/17/46/49/697174649.db2.gz YZXJSCROXCESFD-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982737241 697174650 /nfs/dbraw/zinc/17/46/50/697174650.db2.gz YZXJSCROXCESFD-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000983491981 697271443 /nfs/dbraw/zinc/27/14/43/697271443.db2.gz GQHKNPUSDPMCHL-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000983491981 697271444 /nfs/dbraw/zinc/27/14/44/697271444.db2.gz GQHKNPUSDPMCHL-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCO[C@H]1CCCC[C@H]1C ZINC000245879489 698339636 /nfs/dbraw/zinc/33/96/36/698339636.db2.gz ABAKASINDBWDLE-OAGGEKHMSA-N 2 1 310.486 1.970 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000810428743 701767994 /nfs/dbraw/zinc/76/79/94/701767994.db2.gz MJPWWOFWQGJFMR-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817656967 702437627 /nfs/dbraw/zinc/43/76/27/702437627.db2.gz SCDGSCPJRMIKGG-UHFFFAOYSA-N 2 1 322.497 1.123 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817656967 702437629 /nfs/dbraw/zinc/43/76/29/702437629.db2.gz SCDGSCPJRMIKGG-UHFFFAOYSA-N 2 1 322.497 1.123 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660548 706755893 /nfs/dbraw/zinc/75/58/93/706755893.db2.gz JYWUBTAOPJZMSS-INIZCTEOSA-N 2 1 313.401 1.848 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660548 706755896 /nfs/dbraw/zinc/75/58/96/706755896.db2.gz JYWUBTAOPJZMSS-INIZCTEOSA-N 2 1 313.401 1.848 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000836236981 707423035 /nfs/dbraw/zinc/42/30/35/707423035.db2.gz YEUGVKNIPYCLQN-IRXDYDNUSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000836249830 707425434 /nfs/dbraw/zinc/42/54/34/707425434.db2.gz RHGJDOVZHQGVDS-INIZCTEOSA-N 2 1 322.497 1.751 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000836249830 707425438 /nfs/dbraw/zinc/42/54/38/707425438.db2.gz RHGJDOVZHQGVDS-INIZCTEOSA-N 2 1 322.497 1.751 20 30 DDEDMP C#CC[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000883124550 707933807 /nfs/dbraw/zinc/93/38/07/707933807.db2.gz JQXYKQXGODGYRA-SFHVURJKSA-N 2 1 304.409 1.806 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000884261362 708214766 /nfs/dbraw/zinc/21/47/66/708214766.db2.gz JYKQHIWOMTUCCP-GOEBONIOSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000884261362 708214768 /nfs/dbraw/zinc/21/47/68/708214768.db2.gz JYKQHIWOMTUCCP-GOEBONIOSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000884261362 708214769 /nfs/dbraw/zinc/21/47/69/708214769.db2.gz JYKQHIWOMTUCCP-GOEBONIOSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000884261362 708214772 /nfs/dbraw/zinc/21/47/72/708214772.db2.gz JYKQHIWOMTUCCP-GOEBONIOSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000884261362 708214775 /nfs/dbraw/zinc/21/47/75/708214775.db2.gz JYKQHIWOMTUCCP-GOEBONIOSA-N 2 1 304.438 1.034 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)CCO2 ZINC000886266036 708732299 /nfs/dbraw/zinc/73/22/99/708732299.db2.gz XYJLVMHPFQQBSX-HNNXBMFYSA-N 2 1 307.438 1.228 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000900293116 709524788 /nfs/dbraw/zinc/52/47/88/709524788.db2.gz VOCBVTVFCYAIEP-UHFFFAOYSA-N 2 1 313.405 1.700 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)C(C)C ZINC000914125797 713345881 /nfs/dbraw/zinc/34/58/81/713345881.db2.gz NRHOADMAHMWMGD-HOTGVXAUSA-N 2 1 308.470 1.688 20 30 DDEDMP C#CCN(C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000916858382 713470611 /nfs/dbraw/zinc/47/06/11/713470611.db2.gz RBHMRIDLDFOEKE-CQSZACIVSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000963926460 717948162 /nfs/dbraw/zinc/94/81/62/717948162.db2.gz AOOTWDHOCPXZRR-LMBQMVEXSA-N 2 1 303.450 1.511 20 30 DDEDMP C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000923421666 714350993 /nfs/dbraw/zinc/35/09/93/714350993.db2.gz HKSPPUAQMQBAJE-MRXNPFEDSA-N 2 1 317.433 1.891 20 30 DDEDMP C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000923421666 714350996 /nfs/dbraw/zinc/35/09/96/714350996.db2.gz HKSPPUAQMQBAJE-MRXNPFEDSA-N 2 1 317.433 1.891 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923424567 714351896 /nfs/dbraw/zinc/35/18/96/714351896.db2.gz GHBULBWTUKATFP-MELADBBJSA-N 2 1 313.323 1.661 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923424567 714351900 /nfs/dbraw/zinc/35/19/00/714351900.db2.gz GHBULBWTUKATFP-MELADBBJSA-N 2 1 313.323 1.661 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000923429948 714353308 /nfs/dbraw/zinc/35/33/08/714353308.db2.gz BXIYNGCTYLIJFV-FVQBIDKESA-N 2 1 303.406 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CCC[NH+](CCC1)C2 ZINC000960525816 716598849 /nfs/dbraw/zinc/59/88/49/716598849.db2.gz NKOUDIMFLKESPN-FVQHAEBGSA-N 2 1 317.477 1.875 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940835881 716983050 /nfs/dbraw/zinc/98/30/50/716983050.db2.gz FQJOQGXHRDKWJH-INIZCTEOSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940992459 717064932 /nfs/dbraw/zinc/06/49/32/717064932.db2.gz COPBDSSERRLMJC-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124800 717110996 /nfs/dbraw/zinc/11/09/96/717110996.db2.gz UZXMEGJFXQZLKL-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[NH+]2CCCC2)cc1 ZINC000962557642 717512757 /nfs/dbraw/zinc/51/27/57/717512757.db2.gz UFUAJKVAWQPFKG-DZFIZOCASA-N 2 1 324.428 1.200 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942171981 717522864 /nfs/dbraw/zinc/52/28/64/717522864.db2.gz HVEIIUQMRKUABX-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000965095447 717534754 /nfs/dbraw/zinc/53/47/54/717534754.db2.gz WUDVXXREEJWSOQ-AILYUCJNSA-N 2 1 305.466 1.777 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)CC1 ZINC000962771468 717581383 /nfs/dbraw/zinc/58/13/83/717581383.db2.gz HAPCLFMREHOREB-PIIMJCKOSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419991 717783155 /nfs/dbraw/zinc/78/31/55/717783155.db2.gz WZECNIYOVGMTEF-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419991 717783161 /nfs/dbraw/zinc/78/31/61/717783161.db2.gz WZECNIYOVGMTEF-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419988 717783386 /nfs/dbraw/zinc/78/33/86/717783386.db2.gz WZECNIYOVGMTEF-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419988 717783387 /nfs/dbraw/zinc/78/33/87/717783387.db2.gz WZECNIYOVGMTEF-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943771282 718186601 /nfs/dbraw/zinc/18/66/01/718186601.db2.gz GBMPFFMCCIDWNG-RHSMWYFYSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](C)C1 ZINC000943771282 718186607 /nfs/dbraw/zinc/18/66/07/718186607.db2.gz GBMPFFMCCIDWNG-RHSMWYFYSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633022 718860032 /nfs/dbraw/zinc/86/00/32/718860032.db2.gz COMPZRXYQBLDPF-KSZLIROESA-N 2 1 319.493 1.766 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967396209 718867284 /nfs/dbraw/zinc/86/72/84/718867284.db2.gz BPARMUWJQRBATF-RHSMWYFYSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553561 719543877 /nfs/dbraw/zinc/54/38/77/719543877.db2.gz IRVHQVGBWGTFLX-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553561 719543882 /nfs/dbraw/zinc/54/38/82/719543882.db2.gz IRVHQVGBWGTFLX-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553561 719543886 /nfs/dbraw/zinc/54/38/86/719543886.db2.gz IRVHQVGBWGTFLX-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP Cc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1C#N ZINC001164684715 719629947 /nfs/dbraw/zinc/62/99/47/719629947.db2.gz WUPPQABQBPLDTM-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP Cc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1C#N ZINC001164684715 719629957 /nfs/dbraw/zinc/62/99/57/719629957.db2.gz WUPPQABQBPLDTM-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C)CC1 ZINC000968680759 719732876 /nfs/dbraw/zinc/73/28/76/719732876.db2.gz DFMVKULNISPAON-FUHWJXTLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681670 719733720 /nfs/dbraw/zinc/73/37/20/719733720.db2.gz LHLKMZOCEAFXMM-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681670 719733721 /nfs/dbraw/zinc/73/37/21/719733721.db2.gz LHLKMZOCEAFXMM-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832920 719736371 /nfs/dbraw/zinc/73/63/71/719736371.db2.gz DTFPNVHJNQSDOH-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001023763261 735449434 /nfs/dbraw/zinc/44/94/34/735449434.db2.gz HOUUUYFSCSNYOF-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023763261 735449437 /nfs/dbraw/zinc/44/94/37/735449437.db2.gz HOUUUYFSCSNYOF-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001023763261 735449440 /nfs/dbraw/zinc/44/94/40/735449440.db2.gz HOUUUYFSCSNYOF-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001020508235 732450044 /nfs/dbraw/zinc/45/00/44/732450044.db2.gz PSJYQUCSPZTCIS-MGPQQGTHSA-N 2 1 315.845 1.085 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001020508235 732450046 /nfs/dbraw/zinc/45/00/46/732450046.db2.gz PSJYQUCSPZTCIS-MGPQQGTHSA-N 2 1 315.845 1.085 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001039042526 732492238 /nfs/dbraw/zinc/49/22/38/732492238.db2.gz SIXRJSUGBBJGJT-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206872520 732793036 /nfs/dbraw/zinc/79/30/36/732793036.db2.gz IFICZDQTTPRIDA-QGZVFWFLSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cncc2C)C1 ZINC001039230000 733315500 /nfs/dbraw/zinc/31/55/00/733315500.db2.gz PCWRVZPFWACILV-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039230000 733315502 /nfs/dbraw/zinc/31/55/02/733315502.db2.gz PCWRVZPFWACILV-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604668 733363219 /nfs/dbraw/zinc/36/32/19/733363219.db2.gz FWZVTSTZXIAPLV-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604668 733363226 /nfs/dbraw/zinc/36/32/26/733363226.db2.gz FWZVTSTZXIAPLV-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604668 733363229 /nfs/dbraw/zinc/36/32/29/733363229.db2.gz FWZVTSTZXIAPLV-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681922 733439925 /nfs/dbraw/zinc/43/99/25/733439925.db2.gz KIPJKJAADPPLQQ-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121134171 782372495 /nfs/dbraw/zinc/37/24/95/782372495.db2.gz WIMFLLVLUMGEDG-ZHIXCNEBSA-N 2 1 305.466 1.920 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023467100 735254783 /nfs/dbraw/zinc/25/47/83/735254783.db2.gz XDIKVFVIKMZVMH-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448398 735825939 /nfs/dbraw/zinc/82/59/39/735825939.db2.gz MOIMPYGINRHAAU-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448398 735825942 /nfs/dbraw/zinc/82/59/42/735825942.db2.gz MOIMPYGINRHAAU-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448398 735825943 /nfs/dbraw/zinc/82/59/43/735825943.db2.gz MOIMPYGINRHAAU-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001087317097 736079616 /nfs/dbraw/zinc/07/96/16/736079616.db2.gz CQCRYXCRQZNVBQ-BPQIPLTHSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104681855 736512754 /nfs/dbraw/zinc/51/27/54/736512754.db2.gz SAOPHZPMIIYEQN-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468040 736703182 /nfs/dbraw/zinc/70/31/82/736703182.db2.gz HIXMSIOYQWGVKI-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001032581297 751388629 /nfs/dbraw/zinc/38/86/29/751388629.db2.gz PNBDFYZGZDZIJD-ULQDDVLXSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]21 ZINC001026298364 737315664 /nfs/dbraw/zinc/31/56/64/737315664.db2.gz MJFFGSMQIOKMNZ-NWANDNLSSA-N 2 1 318.421 1.362 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105066994 737500829 /nfs/dbraw/zinc/50/08/29/737500829.db2.gz IHUJBIJLUSNXBT-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009626119 738279866 /nfs/dbraw/zinc/27/98/66/738279866.db2.gz IEAOSPMKODJDOO-QGZVFWFLSA-N 2 1 313.445 1.966 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001027979623 738901023 /nfs/dbraw/zinc/90/10/23/738901023.db2.gz FTIVYLYEXDYZOD-CABCVRRESA-N 2 1 302.422 1.602 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093104 739024431 /nfs/dbraw/zinc/02/44/31/739024431.db2.gz HNILBCMFMSDOOT-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP N#Cc1c(F)c(F)c(NC(=[NH2+])NCCCC[NH3+])c(F)c1F ZINC001167881860 739174862 /nfs/dbraw/zinc/17/48/62/739174862.db2.gz KLLWQKANDAEGBO-UHFFFAOYSA-N 2 1 303.263 1.790 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000997980463 751438595 /nfs/dbraw/zinc/43/85/95/751438595.db2.gz YHMOHFZFHPFKCE-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001028333964 739369133 /nfs/dbraw/zinc/36/91/33/739369133.db2.gz TUDCRZVCOUWMIX-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001028604509 739781790 /nfs/dbraw/zinc/78/17/90/739781790.db2.gz ZUMNLVQJNLWVRE-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001028604509 739781792 /nfs/dbraw/zinc/78/17/92/739781792.db2.gz ZUMNLVQJNLWVRE-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001028604509 739781795 /nfs/dbraw/zinc/78/17/95/739781795.db2.gz ZUMNLVQJNLWVRE-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1 ZINC001028604509 739781798 /nfs/dbraw/zinc/78/17/98/739781798.db2.gz ZUMNLVQJNLWVRE-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001028624852 739799013 /nfs/dbraw/zinc/79/90/13/739799013.db2.gz INFBXQFVIPRZTF-MRXNPFEDSA-N 2 1 305.466 1.877 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035417186 751497918 /nfs/dbraw/zinc/49/79/18/751497918.db2.gz RUELEAMTCILGFI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035417186 751497921 /nfs/dbraw/zinc/49/79/21/751497921.db2.gz RUELEAMTCILGFI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035417186 751497924 /nfs/dbraw/zinc/49/79/24/751497924.db2.gz RUELEAMTCILGFI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845324 740104906 /nfs/dbraw/zinc/10/49/06/740104906.db2.gz IRFTWWMUDMHEGU-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845324 740104907 /nfs/dbraw/zinc/10/49/07/740104907.db2.gz IRFTWWMUDMHEGU-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001029003808 740248590 /nfs/dbraw/zinc/24/85/90/740248590.db2.gz QBXLRORMVZVHJR-QGZVFWFLSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700432 740713700 /nfs/dbraw/zinc/71/37/00/740713700.db2.gz LVPXRIHVUYJFMU-XHSDSOJGSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700432 740713704 /nfs/dbraw/zinc/71/37/04/740713704.db2.gz LVPXRIHVUYJFMU-XHSDSOJGSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700432 740713707 /nfs/dbraw/zinc/71/37/07/740713707.db2.gz LVPXRIHVUYJFMU-XHSDSOJGSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700432 740713709 /nfs/dbraw/zinc/71/37/09/740713709.db2.gz LVPXRIHVUYJFMU-XHSDSOJGSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087702928 740714186 /nfs/dbraw/zinc/71/41/86/740714186.db2.gz BAPPECJRMDBUQM-HYVNUMGLSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1CC ZINC001087702928 740714188 /nfs/dbraw/zinc/71/41/88/740714188.db2.gz BAPPECJRMDBUQM-HYVNUMGLSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H]2CC)CC1 ZINC001087839979 740779489 /nfs/dbraw/zinc/77/94/89/740779489.db2.gz BSQXMJDGJUVEKY-ZWKOTPCHSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1C ZINC001088631310 742028631 /nfs/dbraw/zinc/02/86/31/742028631.db2.gz FFKGJRLJNRKTRE-PVAVHDDUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230342 742049881 /nfs/dbraw/zinc/04/98/81/742049881.db2.gz BDILISZQJHMUTJ-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230342 742049884 /nfs/dbraw/zinc/04/98/84/742049884.db2.gz BDILISZQJHMUTJ-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230342 742049887 /nfs/dbraw/zinc/04/98/87/742049887.db2.gz BDILISZQJHMUTJ-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001105485360 742079915 /nfs/dbraw/zinc/07/99/15/742079915.db2.gz DTPXPPOVMHHRBB-UHFFFAOYSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246716 742619763 /nfs/dbraw/zinc/61/97/63/742619763.db2.gz HBPFZEUMIGXCLM-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246716 742619764 /nfs/dbraw/zinc/61/97/64/742619764.db2.gz HBPFZEUMIGXCLM-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076246716 742619765 /nfs/dbraw/zinc/61/97/65/742619765.db2.gz HBPFZEUMIGXCLM-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183241005 743808216 /nfs/dbraw/zinc/80/82/16/743808216.db2.gz YMYAHLLMLBHWDM-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001112284911 743813135 /nfs/dbraw/zinc/81/31/35/743813135.db2.gz DTSCVLYHTGLQEQ-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035794221 751881352 /nfs/dbraw/zinc/88/13/52/751881352.db2.gz AOUDAGLQKJNKEY-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184810745 744105796 /nfs/dbraw/zinc/10/57/96/744105796.db2.gz REYGOPOYLPTQGX-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCOCC1)CC2 ZINC001035818577 751897339 /nfs/dbraw/zinc/89/73/39/751897339.db2.gz AEPVESHVTWDRBD-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992139602 744629077 /nfs/dbraw/zinc/62/90/77/744629077.db2.gz UNVGUZPOWJAIJH-LSTDLKDCSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992139602 744629080 /nfs/dbraw/zinc/62/90/80/744629080.db2.gz UNVGUZPOWJAIJH-LSTDLKDCSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992139602 744629082 /nfs/dbraw/zinc/62/90/82/744629082.db2.gz UNVGUZPOWJAIJH-LSTDLKDCSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106152395 745129103 /nfs/dbraw/zinc/12/91/03/745129103.db2.gz RPXUPRMSTCDVGG-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001190947605 745378285 /nfs/dbraw/zinc/37/82/85/745378285.db2.gz RCSPLJQYVMTHBN-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190947605 745378274 /nfs/dbraw/zinc/37/82/74/745378274.db2.gz RCSPLJQYVMTHBN-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001190947605 745378279 /nfs/dbraw/zinc/37/82/79/745378279.db2.gz RCSPLJQYVMTHBN-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106266458 745493708 /nfs/dbraw/zinc/49/37/08/745493708.db2.gz KWPILTWZVVNVBL-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC=C(C)C)[C@H](C)C1 ZINC001106266458 745493710 /nfs/dbraw/zinc/49/37/10/745493710.db2.gz KWPILTWZVVNVBL-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCC)[C@H](C)C1 ZINC001106266704 745496392 /nfs/dbraw/zinc/49/63/92/745496392.db2.gz YOWONTJKFQMJIV-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCCC)[C@H](C)C1 ZINC001106266704 745496398 /nfs/dbraw/zinc/49/63/98/745496398.db2.gz YOWONTJKFQMJIV-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192426200 745779782 /nfs/dbraw/zinc/77/97/82/745779782.db2.gz OAVUAFHDVBWOHJ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001106662894 745879812 /nfs/dbraw/zinc/87/98/12/745879812.db2.gz IXKHDGPJNXVXNC-VHDGCEQUSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993684853 746275073 /nfs/dbraw/zinc/27/50/73/746275073.db2.gz PIXCXYLGULQMHG-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993704076 746296379 /nfs/dbraw/zinc/29/63/79/746296379.db2.gz OFPGYDVIIKGJLT-GDBMZVCRSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993704076 746296382 /nfs/dbraw/zinc/29/63/82/746296382.db2.gz OFPGYDVIIKGJLT-GDBMZVCRSA-N 2 1 317.433 1.947 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194298554 746328562 /nfs/dbraw/zinc/32/85/62/746328562.db2.gz HENLFBQNSBGSNS-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298554 746328569 /nfs/dbraw/zinc/32/85/69/746328569.db2.gz HENLFBQNSBGSNS-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298554 746328574 /nfs/dbraw/zinc/32/85/74/746328574.db2.gz HENLFBQNSBGSNS-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713422 746547015 /nfs/dbraw/zinc/54/70/15/746547015.db2.gz NCYAXQPUPOOZPG-QGZVFWFLSA-N 2 1 301.434 1.781 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001196169332 746791295 /nfs/dbraw/zinc/79/12/95/746791295.db2.gz QXZVHYHRCVRASH-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196169332 746791301 /nfs/dbraw/zinc/79/13/01/746791301.db2.gz QXZVHYHRCVRASH-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196169332 746791306 /nfs/dbraw/zinc/79/13/06/746791306.db2.gz QXZVHYHRCVRASH-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421877 746844773 /nfs/dbraw/zinc/84/47/73/746844773.db2.gz ZAMOCXJXTPPUEU-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089559511 747219554 /nfs/dbraw/zinc/21/95/54/747219554.db2.gz PSKNDUNTSUDCPK-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089559511 747219560 /nfs/dbraw/zinc/21/95/60/747219560.db2.gz PSKNDUNTSUDCPK-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001152440100 747459273 /nfs/dbraw/zinc/45/92/73/747459273.db2.gz YOHLIRSFWORTGB-UHFFFAOYSA-N 2 1 321.852 1.738 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642544 747540270 /nfs/dbraw/zinc/54/02/70/747540270.db2.gz MWJXUHGDVIJSKY-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642544 747540275 /nfs/dbraw/zinc/54/02/75/747540275.db2.gz MWJXUHGDVIJSKY-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642544 747540282 /nfs/dbraw/zinc/54/02/82/747540282.db2.gz MWJXUHGDVIJSKY-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1OC ZINC001198616808 747550216 /nfs/dbraw/zinc/55/02/16/747550216.db2.gz JIFIAWKZOFOVCH-CVEARBPZSA-N 2 1 317.433 1.722 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1OC ZINC001198984830 747669420 /nfs/dbraw/zinc/66/94/20/747669420.db2.gz SCLAHIYAWWGQFZ-GDBMZVCRSA-N 2 1 315.417 1.027 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198984830 747669423 /nfs/dbraw/zinc/66/94/23/747669423.db2.gz SCLAHIYAWWGQFZ-GDBMZVCRSA-N 2 1 315.417 1.027 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001127695285 748206165 /nfs/dbraw/zinc/20/61/65/748206165.db2.gz ILYTWUZPOHROQE-LSDHHAIUSA-N 2 1 320.462 1.556 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080160 748222377 /nfs/dbraw/zinc/22/23/77/748222377.db2.gz DJSGRYRVEQAFMT-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479918 748253913 /nfs/dbraw/zinc/25/39/13/748253913.db2.gz TVVMKACRSBRIQB-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CCCO1 ZINC001201639996 748556099 /nfs/dbraw/zinc/55/60/99/748556099.db2.gz QERNLSSLISYAAJ-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201809250 748607060 /nfs/dbraw/zinc/60/70/60/748607060.db2.gz LSSHUUBDTBCWLC-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862872 748612785 /nfs/dbraw/zinc/61/27/85/748612785.db2.gz HFIYUVQKLFMSRG-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202165146 748702927 /nfs/dbraw/zinc/70/29/27/748702927.db2.gz UXJULFNHONHURK-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202165146 748702928 /nfs/dbraw/zinc/70/29/28/748702928.db2.gz UXJULFNHONHURK-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007724252 752295365 /nfs/dbraw/zinc/29/53/65/752295365.db2.gz UFHMZVIHVUGUPO-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CCOCC[NH+]1CCCC2(CCC[N@H+](CCOCC#C)C2)C1 ZINC000852057527 748855519 /nfs/dbraw/zinc/85/55/19/748855519.db2.gz NUTLVLNYWVDCES-UHFFFAOYSA-N 2 1 318.461 1.464 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817310 749040831 /nfs/dbraw/zinc/04/08/31/749040831.db2.gz XQIUOUFZHXHUKI-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001110817310 749040834 /nfs/dbraw/zinc/04/08/34/749040834.db2.gz XQIUOUFZHXHUKI-OAGGEKHMSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001114410132 749175579 /nfs/dbraw/zinc/17/55/79/749175579.db2.gz UCBWGSPYOPSBBC-QSJFSLAZSA-N 2 1 314.433 1.773 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001114410132 749175582 /nfs/dbraw/zinc/17/55/82/749175582.db2.gz UCBWGSPYOPSBBC-QSJFSLAZSA-N 2 1 314.433 1.773 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115254605 749246058 /nfs/dbraw/zinc/24/60/58/749246058.db2.gz OPYBKKPGVFGMCS-VQFNDLOPSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366366 749254577 /nfs/dbraw/zinc/25/45/77/749254577.db2.gz QJQHOARSNVGNIM-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366366 749254581 /nfs/dbraw/zinc/25/45/81/749254581.db2.gz QJQHOARSNVGNIM-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000876838485 749334153 /nfs/dbraw/zinc/33/41/53/749334153.db2.gz KSZHWEDLASILJI-UONOGXRCSA-N 2 1 323.824 1.638 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472586 749417769 /nfs/dbraw/zinc/41/77/69/749417769.db2.gz YMNAXNHAPQMFSC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472586 749417771 /nfs/dbraw/zinc/41/77/71/749417771.db2.gz YMNAXNHAPQMFSC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472586 749417772 /nfs/dbraw/zinc/41/77/72/749417772.db2.gz YMNAXNHAPQMFSC-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124171 761969012 /nfs/dbraw/zinc/96/90/12/761969012.db2.gz DCNAZDPFWPTGRC-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005494390 750224873 /nfs/dbraw/zinc/22/48/73/750224873.db2.gz WIHASTFVKMNCOP-QGZVFWFLSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111020962 750310334 /nfs/dbraw/zinc/31/03/34/750310334.db2.gz MKYGPBPLAYFGRC-VQHPVUNQSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020962 750310340 /nfs/dbraw/zinc/31/03/40/750310340.db2.gz MKYGPBPLAYFGRC-VQHPVUNQSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001111020962 750310346 /nfs/dbraw/zinc/31/03/46/750310346.db2.gz MKYGPBPLAYFGRC-VQHPVUNQSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812943 750470865 /nfs/dbraw/zinc/47/08/65/750470865.db2.gz VGQKOVGNHIDLQA-QZWWFDLISA-N 2 1 303.450 1.768 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001034674964 750667000 /nfs/dbraw/zinc/66/70/00/750667000.db2.gz MKYXUKSREKAALQ-KLHDSHLOSA-N 2 1 309.454 1.299 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001034674964 750667002 /nfs/dbraw/zinc/66/70/02/750667002.db2.gz MKYXUKSREKAALQ-KLHDSHLOSA-N 2 1 309.454 1.299 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005586780 750670389 /nfs/dbraw/zinc/67/03/89/750670389.db2.gz XWFTXYKKFZCTCN-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001114849624 751224269 /nfs/dbraw/zinc/22/42/69/751224269.db2.gz UPDNEWSMGMDDKT-DZFIZOCASA-N 2 1 313.445 1.393 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCc1ccccc1 ZINC001114849624 751224272 /nfs/dbraw/zinc/22/42/72/751224272.db2.gz UPDNEWSMGMDDKT-DZFIZOCASA-N 2 1 313.445 1.393 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCc1ccccc1 ZINC001114849624 751224277 /nfs/dbraw/zinc/22/42/77/751224277.db2.gz UPDNEWSMGMDDKT-DZFIZOCASA-N 2 1 313.445 1.393 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035167035 751252118 /nfs/dbraw/zinc/25/21/18/751252118.db2.gz ZACHESGHJOCLDU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035167035 751252122 /nfs/dbraw/zinc/25/21/22/751252122.db2.gz ZACHESGHJOCLDU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035167035 751252125 /nfs/dbraw/zinc/25/21/25/751252125.db2.gz ZACHESGHJOCLDU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997832408 751309768 /nfs/dbraw/zinc/30/97/68/751309768.db2.gz RTMDCKHXCSKSGK-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997832408 751309775 /nfs/dbraw/zinc/30/97/75/751309775.db2.gz RTMDCKHXCSKSGK-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108419108 762115169 /nfs/dbraw/zinc/11/51/69/762115169.db2.gz BLBRTSOXRKMGOH-SFHVURJKSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008345186 752683746 /nfs/dbraw/zinc/68/37/46/752683746.db2.gz TYRVYGYBXAJEMX-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008345186 752683752 /nfs/dbraw/zinc/68/37/52/752683752.db2.gz TYRVYGYBXAJEMX-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2ccnc2)C1 ZINC001108436737 762197061 /nfs/dbraw/zinc/19/70/61/762197061.db2.gz ZKKRSQDTCVWBGD-MRXNPFEDSA-N 2 1 306.410 1.056 20 30 DDEDMP C=C(C)CCN1CCO[C@](C)(CNC(=O)Cn2ccnc2)C1 ZINC001108436737 762197069 /nfs/dbraw/zinc/19/70/69/762197069.db2.gz ZKKRSQDTCVWBGD-MRXNPFEDSA-N 2 1 306.410 1.056 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181114 753583694 /nfs/dbraw/zinc/58/36/94/753583694.db2.gz SCEBGMUVVDOSSO-QGZVFWFLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001108181114 753583698 /nfs/dbraw/zinc/58/36/98/753583698.db2.gz SCEBGMUVVDOSSO-QGZVFWFLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001108034550 753914902 /nfs/dbraw/zinc/91/49/02/753914902.db2.gz ZKIXDVKPHGGGSH-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001108034550 753914907 /nfs/dbraw/zinc/91/49/07/753914907.db2.gz ZKIXDVKPHGGGSH-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108034550 753914910 /nfs/dbraw/zinc/91/49/10/753914910.db2.gz ZKIXDVKPHGGGSH-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001108034550 753914914 /nfs/dbraw/zinc/91/49/14/753914914.db2.gz ZKIXDVKPHGGGSH-QGZVFWFLSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(Cl)CN1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001000852884 762268797 /nfs/dbraw/zinc/26/87/97/762268797.db2.gz VIVLTQBSCKDVOG-OAHLLOKOSA-N 2 1 311.857 1.972 20 30 DDEDMP C=C(Cl)CN1CC=C(CNC(=O)[C@H]2CCCCN2C)CC1 ZINC001000852884 762268804 /nfs/dbraw/zinc/26/88/04/762268804.db2.gz VIVLTQBSCKDVOG-OAHLLOKOSA-N 2 1 311.857 1.972 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078725411 754320513 /nfs/dbraw/zinc/32/05/13/754320513.db2.gz NMJAQQABKODRDL-GJZGRUSLSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015231869 756180570 /nfs/dbraw/zinc/18/05/70/756180570.db2.gz DXZTZQRDNAHXTK-CQSZACIVSA-N 2 1 309.373 1.095 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001040240316 762452518 /nfs/dbraw/zinc/45/25/18/762452518.db2.gz FSNBGKWDDDZEBL-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001040240316 762452521 /nfs/dbraw/zinc/45/25/21/762452521.db2.gz FSNBGKWDDDZEBL-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001040240316 762452523 /nfs/dbraw/zinc/45/25/23/762452523.db2.gz FSNBGKWDDDZEBL-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015712490 756488210 /nfs/dbraw/zinc/48/82/10/756488210.db2.gz DCOWJJQDCFECJY-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016690605 757270578 /nfs/dbraw/zinc/27/05/78/757270578.db2.gz RWRINPRGBCRVAC-OAGGEKHMSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016690605 757270585 /nfs/dbraw/zinc/27/05/85/757270585.db2.gz RWRINPRGBCRVAC-OAGGEKHMSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694943 757375404 /nfs/dbraw/zinc/37/54/04/757375404.db2.gz LOGYUKWZHBPGBA-TVFCKZIOSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694943 757375413 /nfs/dbraw/zinc/37/54/13/757375413.db2.gz LOGYUKWZHBPGBA-TVFCKZIOSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001097694943 757375423 /nfs/dbraw/zinc/37/54/23/757375423.db2.gz LOGYUKWZHBPGBA-TVFCKZIOSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345739 757504180 /nfs/dbraw/zinc/50/41/80/757504180.db2.gz MXRHXTJELXQVBZ-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084345739 757504188 /nfs/dbraw/zinc/50/41/88/757504188.db2.gz MXRHXTJELXQVBZ-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016987634 757533353 /nfs/dbraw/zinc/53/33/53/757533353.db2.gz YASWBJRALZCOKD-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052704134 757668521 /nfs/dbraw/zinc/66/85/21/757668521.db2.gz ZVYRJCMHFJAYIT-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704134 757668529 /nfs/dbraw/zinc/66/85/29/757668529.db2.gz ZVYRJCMHFJAYIT-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704134 757668536 /nfs/dbraw/zinc/66/85/36/757668536.db2.gz ZVYRJCMHFJAYIT-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001052783835 757763605 /nfs/dbraw/zinc/76/36/05/757763605.db2.gz KAFHELBKYMMAEG-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701342 757791968 /nfs/dbraw/zinc/79/19/68/757791968.db2.gz ZAGQYHYKAFKWGE-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001052957654 758012027 /nfs/dbraw/zinc/01/20/27/758012027.db2.gz IIBVNNAFABRENB-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953521 758093033 /nfs/dbraw/zinc/09/30/33/758093033.db2.gz RTBQOUOMBOTKOF-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953521 758093042 /nfs/dbraw/zinc/09/30/42/758093042.db2.gz RTBQOUOMBOTKOF-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953521 758093050 /nfs/dbraw/zinc/09/30/50/758093050.db2.gz RTBQOUOMBOTKOF-IKGGRYGDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053984249 759025545 /nfs/dbraw/zinc/02/55/45/759025545.db2.gz SREDMOAWNILOFD-OAHLLOKOSA-N 2 1 319.449 1.008 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054100013 759164018 /nfs/dbraw/zinc/16/40/18/759164018.db2.gz UQAJWDDXTQFRDH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054100013 759164024 /nfs/dbraw/zinc/16/40/24/759164024.db2.gz UQAJWDDXTQFRDH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054100013 759164029 /nfs/dbraw/zinc/16/40/29/759164029.db2.gz UQAJWDDXTQFRDH-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085306876 759250332 /nfs/dbraw/zinc/25/03/32/759250332.db2.gz VHAZIFMNCMGKPA-GVDBMIGSSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054228912 759320204 /nfs/dbraw/zinc/32/02/04/759320204.db2.gz DIYUGFXKIODGFN-GOSISDBHSA-N 2 1 315.461 1.420 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760122 767898721 /nfs/dbraw/zinc/89/87/21/767898721.db2.gz AHJWTVLQFIFYDG-IBGZPJMESA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346073 761032012 /nfs/dbraw/zinc/03/20/12/761032012.db2.gz OHDJDAPBPPGRSP-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346073 761032019 /nfs/dbraw/zinc/03/20/19/761032019.db2.gz OHDJDAPBPPGRSP-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346073 761032027 /nfs/dbraw/zinc/03/20/27/761032027.db2.gz OHDJDAPBPPGRSP-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038707118 761309366 /nfs/dbraw/zinc/30/93/66/761309366.db2.gz VONMLHZLYBZOPT-CQSZACIVSA-N 2 1 318.421 1.651 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001038707118 761309373 /nfs/dbraw/zinc/30/93/73/761309373.db2.gz VONMLHZLYBZOPT-CQSZACIVSA-N 2 1 318.421 1.651 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038934742 761565033 /nfs/dbraw/zinc/56/50/33/761565033.db2.gz KHXMDCGKAPIKTA-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038934742 761565039 /nfs/dbraw/zinc/56/50/39/761565039.db2.gz KHXMDCGKAPIKTA-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100081744 761589124 /nfs/dbraw/zinc/58/91/24/761589124.db2.gz XVJLIVGGWZWMED-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000465692 761769134 /nfs/dbraw/zinc/76/91/34/761769134.db2.gz NPLQMIMMOIUIDA-AWEZNQCLSA-N 2 1 315.845 1.042 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243014 761880732 /nfs/dbraw/zinc/88/07/32/761880732.db2.gz RSQARPJSOCIEBC-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285988 762933487 /nfs/dbraw/zinc/93/34/87/762933487.db2.gz ITYHHIXLNLACCK-SJLPKXTDSA-N 2 1 303.450 1.439 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821308 762976305 /nfs/dbraw/zinc/97/63/05/762976305.db2.gz HHKOEEAONGHNKW-XHSDSOJGSA-N 2 1 302.422 1.737 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041358466 762978001 /nfs/dbraw/zinc/97/80/01/762978001.db2.gz OTLGXYKIUXTRMM-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041358466 762978003 /nfs/dbraw/zinc/97/80/03/762978003.db2.gz OTLGXYKIUXTRMM-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041358466 762978005 /nfs/dbraw/zinc/97/80/05/762978005.db2.gz OTLGXYKIUXTRMM-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050046796 763059785 /nfs/dbraw/zinc/05/97/85/763059785.db2.gz JBVREVLCOIKIQX-RCCFBDPRSA-N 2 1 315.461 1.274 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC001041762861 763298389 /nfs/dbraw/zinc/29/83/89/763298389.db2.gz OEKJVZDUOCDNPK-GOSISDBHSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041784988 763325132 /nfs/dbraw/zinc/32/51/32/763325132.db2.gz BCVOPWFYRKFOAC-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041784988 763325141 /nfs/dbraw/zinc/32/51/41/763325141.db2.gz BCVOPWFYRKFOAC-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041784988 763325149 /nfs/dbraw/zinc/32/51/49/763325149.db2.gz BCVOPWFYRKFOAC-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041834469 763388235 /nfs/dbraw/zinc/38/82/35/763388235.db2.gz DGJQOPQLCSSUFV-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041834469 763388245 /nfs/dbraw/zinc/38/82/45/763388245.db2.gz DGJQOPQLCSSUFV-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042094128 763642644 /nfs/dbraw/zinc/64/26/44/763642644.db2.gz CTZJMMRAZBEAOM-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042094128 763642646 /nfs/dbraw/zinc/64/26/46/763642646.db2.gz CTZJMMRAZBEAOM-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042094128 763642648 /nfs/dbraw/zinc/64/26/48/763642648.db2.gz CTZJMMRAZBEAOM-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007024 764292709 /nfs/dbraw/zinc/29/27/09/764292709.db2.gz DYYWIJIJBXWPHR-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110007024 764292714 /nfs/dbraw/zinc/29/27/14/764292714.db2.gz DYYWIJIJBXWPHR-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131692061 768274954 /nfs/dbraw/zinc/27/49/54/768274954.db2.gz CUXFXVJHVLKEFH-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001052658265 766047024 /nfs/dbraw/zinc/04/70/24/766047024.db2.gz JWIZVRKPZXMNAF-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658265 766047028 /nfs/dbraw/zinc/04/70/28/766047028.db2.gz JWIZVRKPZXMNAF-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001052658265 766047037 /nfs/dbraw/zinc/04/70/37/766047037.db2.gz JWIZVRKPZXMNAF-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045458216 766320962 /nfs/dbraw/zinc/32/09/62/766320962.db2.gz BEBUCYPWWQRTSN-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045664275 766489385 /nfs/dbraw/zinc/48/93/85/766489385.db2.gz YONKLSOXQFZYGH-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093127 766637974 /nfs/dbraw/zinc/63/79/74/766637974.db2.gz JJSGIRXZEWGIGC-TWMKSMIVSA-N 2 1 323.481 1.334 20 30 DDEDMP CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114093127 766637979 /nfs/dbraw/zinc/63/79/79/766637979.db2.gz JJSGIRXZEWGIGC-TWMKSMIVSA-N 2 1 323.481 1.334 20 30 DDEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114093127 766637981 /nfs/dbraw/zinc/63/79/81/766637981.db2.gz JJSGIRXZEWGIGC-TWMKSMIVSA-N 2 1 323.481 1.334 20 30 DDEDMP CCCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114093127 766637986 /nfs/dbraw/zinc/63/79/86/766637986.db2.gz JJSGIRXZEWGIGC-TWMKSMIVSA-N 2 1 323.481 1.334 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(Cl)n1 ZINC001129776078 767001705 /nfs/dbraw/zinc/00/17/05/767001705.db2.gz ZXJMDKCRKWROJA-AWEZNQCLSA-N 2 1 320.824 1.038 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(Cl)n1 ZINC001129776078 767001713 /nfs/dbraw/zinc/00/17/13/767001713.db2.gz ZXJMDKCRKWROJA-AWEZNQCLSA-N 2 1 320.824 1.038 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132358547 768784228 /nfs/dbraw/zinc/78/42/28/768784228.db2.gz FRTVIRSYYIRGTQ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132358547 768784235 /nfs/dbraw/zinc/78/42/35/768784235.db2.gz FRTVIRSYYIRGTQ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132425895 768840698 /nfs/dbraw/zinc/84/06/98/768840698.db2.gz OLLZNGBWNARRQX-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC001048918721 770109805 /nfs/dbraw/zinc/10/98/05/770109805.db2.gz CTWMCQLBCPGHBW-IYBDPMFKSA-N 2 1 310.401 1.914 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@@H]1C ZINC001071919389 770289222 /nfs/dbraw/zinc/28/92/22/770289222.db2.gz ATUCMLFJKXKPTR-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001133833642 770318026 /nfs/dbraw/zinc/31/80/26/770318026.db2.gz BDSDPVSMTQNZFL-GFCCVEGCSA-N 2 1 306.435 1.310 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049136110 770443355 /nfs/dbraw/zinc/44/33/55/770443355.db2.gz QXDNJEJGYCPDEH-IYBDPMFKSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049232399 770578258 /nfs/dbraw/zinc/57/82/58/770578258.db2.gz UXFNDVBWVOYZFG-VQHPVUNQSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)CCO1 ZINC001049392284 770774277 /nfs/dbraw/zinc/77/42/77/770774277.db2.gz XHVYWZVBLXGSBZ-GVDBMIGSSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049476083 770903922 /nfs/dbraw/zinc/90/39/22/770903922.db2.gz BWFAIXPCUXTJPK-IXDOHACOSA-N 2 1 301.434 1.027 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478648 770907510 /nfs/dbraw/zinc/90/75/10/770907510.db2.gz QXAZXCCEHDZAOB-OKZBNKHCSA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480925 770911408 /nfs/dbraw/zinc/91/14/08/770911408.db2.gz GXVWFAAJYVNGNQ-MHORFTMASA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480925 770911414 /nfs/dbraw/zinc/91/14/14/770911414.db2.gz GXVWFAAJYVNGNQ-MHORFTMASA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480925 770911423 /nfs/dbraw/zinc/91/14/23/770911423.db2.gz GXVWFAAJYVNGNQ-MHORFTMASA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049524252 770973532 /nfs/dbraw/zinc/97/35/32/770973532.db2.gz JWBBWUDVMUCOTE-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134804580 771184715 /nfs/dbraw/zinc/18/47/15/771184715.db2.gz IZTKUJDPFFHFMM-CHWSQXEVSA-N 2 1 306.410 1.246 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846250 771203042 /nfs/dbraw/zinc/20/30/42/771203042.db2.gz GUNTUHALCYATGX-IRXDYDNUSA-N 2 1 312.417 1.460 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846054 771203713 /nfs/dbraw/zinc/20/37/13/771203713.db2.gz FGOQJGIQKRJKNN-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086739192 771556256 /nfs/dbraw/zinc/55/62/56/771556256.db2.gz NFFGADPCCVTDKN-QWHCGFSZSA-N 2 1 306.410 1.410 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678761 771645849 /nfs/dbraw/zinc/64/58/49/771645849.db2.gz HZNJGCDTSZFBRM-GJZGRUSLSA-N 2 1 304.438 1.868 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171235174 772657995 /nfs/dbraw/zinc/65/79/95/772657995.db2.gz FQUGKPPOMSFRHK-IAGOWNOFSA-N 2 1 307.482 1.862 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001091318802 772670121 /nfs/dbraw/zinc/67/01/21/772670121.db2.gz PIKSWVAEYLZVDW-JCYILVPMSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@H+]3C2)CC1 ZINC001147291190 773102890 /nfs/dbraw/zinc/10/28/90/773102890.db2.gz LNLQSKSOOMTGOQ-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001147291190 773102893 /nfs/dbraw/zinc/10/28/93/773102893.db2.gz LNLQSKSOOMTGOQ-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)CC1 ZINC001147291190 773102895 /nfs/dbraw/zinc/10/28/95/773102895.db2.gz LNLQSKSOOMTGOQ-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)CC1 ZINC001147291190 773102897 /nfs/dbraw/zinc/10/28/97/773102897.db2.gz LNLQSKSOOMTGOQ-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073613513 773215628 /nfs/dbraw/zinc/21/56/28/773215628.db2.gz JLBQDGQYRWKUFP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073613513 773215633 /nfs/dbraw/zinc/21/56/33/773215633.db2.gz JLBQDGQYRWKUFP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073613513 773215637 /nfs/dbraw/zinc/21/56/37/773215637.db2.gz JLBQDGQYRWKUFP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627390 773236905 /nfs/dbraw/zinc/23/69/05/773236905.db2.gz RCGPWLNULUWVTQ-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627390 773236907 /nfs/dbraw/zinc/23/69/07/773236907.db2.gz RCGPWLNULUWVTQ-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627390 773236910 /nfs/dbraw/zinc/23/69/10/773236910.db2.gz RCGPWLNULUWVTQ-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627392 773237453 /nfs/dbraw/zinc/23/74/53/773237453.db2.gz RCGPWLNULUWVTQ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627392 773237459 /nfs/dbraw/zinc/23/74/59/773237459.db2.gz RCGPWLNULUWVTQ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627392 773237465 /nfs/dbraw/zinc/23/74/65/773237465.db2.gz RCGPWLNULUWVTQ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001148292674 773434748 /nfs/dbraw/zinc/43/47/48/773434748.db2.gz PGJWJRRGUOZKJJ-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292674 773434751 /nfs/dbraw/zinc/43/47/51/773434751.db2.gz PGJWJRRGUOZKJJ-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001148292674 773434756 /nfs/dbraw/zinc/43/47/56/773434756.db2.gz PGJWJRRGUOZKJJ-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC001148893676 773627141 /nfs/dbraw/zinc/62/71/41/773627141.db2.gz RUKPUVUXPHULMX-UHFFFAOYSA-N 2 1 313.445 1.839 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC001148893676 773627145 /nfs/dbraw/zinc/62/71/45/773627145.db2.gz RUKPUVUXPHULMX-UHFFFAOYSA-N 2 1 313.445 1.839 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893676 773627147 /nfs/dbraw/zinc/62/71/47/773627147.db2.gz RUKPUVUXPHULMX-UHFFFAOYSA-N 2 1 313.445 1.839 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC001148893676 773627151 /nfs/dbraw/zinc/62/71/51/773627151.db2.gz RUKPUVUXPHULMX-UHFFFAOYSA-N 2 1 313.445 1.839 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952386 773741556 /nfs/dbraw/zinc/74/15/56/773741556.db2.gz HOWSYJJYKGJXJB-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091788438 773806618 /nfs/dbraw/zinc/80/66/18/773806618.db2.gz ZXERDTDSVPAETN-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788438 773806624 /nfs/dbraw/zinc/80/66/24/773806624.db2.gz ZXERDTDSVPAETN-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788438 773806631 /nfs/dbraw/zinc/80/66/31/773806631.db2.gz ZXERDTDSVPAETN-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091854796 773839641 /nfs/dbraw/zinc/83/96/41/773839641.db2.gz QPNQWHXKVCNDAV-QAPCUYQASA-N 2 1 310.401 1.914 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010524 773919687 /nfs/dbraw/zinc/91/96/87/773919687.db2.gz FVDLGFRPZIPNCT-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010524 773919691 /nfs/dbraw/zinc/91/96/91/773919691.db2.gz FVDLGFRPZIPNCT-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@]2(C)C1 ZINC001092010524 773919695 /nfs/dbraw/zinc/91/96/95/773919695.db2.gz FVDLGFRPZIPNCT-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092287165 774062095 /nfs/dbraw/zinc/06/20/95/774062095.db2.gz WGWOZXAWTBBGCE-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001092287165 774062100 /nfs/dbraw/zinc/06/21/00/774062100.db2.gz WGWOZXAWTBBGCE-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092287165 774062105 /nfs/dbraw/zinc/06/21/05/774062105.db2.gz WGWOZXAWTBBGCE-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001092287165 774062110 /nfs/dbraw/zinc/06/21/10/774062110.db2.gz WGWOZXAWTBBGCE-NUJGCVRESA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001074829631 774171784 /nfs/dbraw/zinc/17/17/84/774171784.db2.gz HOYJMLIYNIHOOP-HRCADAONSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001074829631 774171791 /nfs/dbraw/zinc/17/17/91/774171791.db2.gz HOYJMLIYNIHOOP-HRCADAONSA-N 2 1 309.454 1.251 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611491 774178397 /nfs/dbraw/zinc/17/83/97/774178397.db2.gz YFEINCZIAKLINM-OIISXLGYSA-N 2 1 303.450 1.036 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001092689936 774232887 /nfs/dbraw/zinc/23/28/87/774232887.db2.gz STZNPESZLCZNDL-OIISXLGYSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001092689936 774232889 /nfs/dbraw/zinc/23/28/89/774232889.db2.gz STZNPESZLCZNDL-OIISXLGYSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC2)C[C@H]1C ZINC001092689936 774232893 /nfs/dbraw/zinc/23/28/93/774232893.db2.gz STZNPESZLCZNDL-OIISXLGYSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC2)C[C@H]1C ZINC001092689936 774232897 /nfs/dbraw/zinc/23/28/97/774232897.db2.gz STZNPESZLCZNDL-OIISXLGYSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@H]21 ZINC001036762209 774515120 /nfs/dbraw/zinc/51/51/20/774515120.db2.gz GYKWVYAZZNWXGO-SJLPKXTDSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCCF)C[C@H]2C)CC1 ZINC001093224313 774536281 /nfs/dbraw/zinc/53/62/81/774536281.db2.gz PXEJYRNPUWPPDF-NVXWUHKLSA-N 2 1 323.456 1.375 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001099320151 774945826 /nfs/dbraw/zinc/94/58/26/774945826.db2.gz GZEFZPXNSUNMFM-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099320151 774945829 /nfs/dbraw/zinc/94/58/29/774945829.db2.gz GZEFZPXNSUNMFM-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871366 775009627 /nfs/dbraw/zinc/00/96/27/775009627.db2.gz KSGCXMXQGFEVKY-ZBFHGGJFSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036871273 775009833 /nfs/dbraw/zinc/00/98/33/775009833.db2.gz JHDPPGYFGLGNPG-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001099903229 775403782 /nfs/dbraw/zinc/40/37/82/775403782.db2.gz CJQHKOKKDOWNJC-CVEARBPZSA-N 2 1 321.465 1.132 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001100024159 775587878 /nfs/dbraw/zinc/58/78/78/775587878.db2.gz FHQSYSUFHCASCM-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001100024159 775587885 /nfs/dbraw/zinc/58/78/85/775587885.db2.gz FHQSYSUFHCASCM-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001094384754 775834305 /nfs/dbraw/zinc/83/43/05/775834305.db2.gz HWYRGXJBNHKUKT-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001094384754 775834308 /nfs/dbraw/zinc/83/43/08/775834308.db2.gz HWYRGXJBNHKUKT-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384754 775834312 /nfs/dbraw/zinc/83/43/12/775834312.db2.gz HWYRGXJBNHKUKT-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001094384754 775834314 /nfs/dbraw/zinc/83/43/14/775834314.db2.gz HWYRGXJBNHKUKT-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001100756907 776504475 /nfs/dbraw/zinc/50/44/75/776504475.db2.gz UKIZXUKHUIQRNH-UHFFFAOYSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175264359 777738707 /nfs/dbraw/zinc/73/87/07/777738707.db2.gz UBBSNZHPQJDGBF-GDBMZVCRSA-N 2 1 316.449 1.652 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001176071542 778011333 /nfs/dbraw/zinc/01/13/33/778011333.db2.gz FQVQJFZIKVHXRC-LBPRGKRZSA-N 2 1 306.435 1.167 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513469 778179687 /nfs/dbraw/zinc/17/96/87/778179687.db2.gz LZHHBRJTTFDRTA-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754350 778243692 /nfs/dbraw/zinc/24/36/92/778243692.db2.gz TYGMCSPSYBLYJR-MRXNPFEDSA-N 2 1 311.470 1.241 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103049777 778597927 /nfs/dbraw/zinc/59/79/27/778597927.db2.gz DWLCRSJLBGYVFU-OAGGEKHMSA-N 2 1 311.445 1.374 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1C ZINC001103098673 778638196 /nfs/dbraw/zinc/63/81/96/778638196.db2.gz DKOKDLGECDDNKD-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=C)C)C[C@H]1C ZINC001103098673 778638200 /nfs/dbraw/zinc/63/82/00/778638200.db2.gz DKOKDLGECDDNKD-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=C)C)C[C@H]1C ZINC001103098673 778638204 /nfs/dbraw/zinc/63/82/04/778638204.db2.gz DKOKDLGECDDNKD-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=C)C)C[C@H]1C ZINC001103098673 778638207 /nfs/dbraw/zinc/63/82/07/778638207.db2.gz DKOKDLGECDDNKD-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178908322 779224461 /nfs/dbraw/zinc/22/44/61/779224461.db2.gz MMQYVLFPMXVGQK-UHFFFAOYSA-N 2 1 306.410 1.249 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536867 780221521 /nfs/dbraw/zinc/22/15/21/780221521.db2.gz KRWRQQLJPYACEU-DLBZAZTESA-N 2 1 317.477 1.903 20 30 DDEDMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266390633 836197532 /nfs/dbraw/zinc/19/75/32/836197532.db2.gz FTUYQRRJCSAPNH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266390633 836197537 /nfs/dbraw/zinc/19/75/37/836197537.db2.gz FTUYQRRJCSAPNH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001266390633 836197528 /nfs/dbraw/zinc/19/75/28/836197528.db2.gz FTUYQRRJCSAPNH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266459026 836288341 /nfs/dbraw/zinc/28/83/41/836288341.db2.gz IKBSRQGSWZNBOT-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266459026 836288348 /nfs/dbraw/zinc/28/83/48/836288348.db2.gz IKBSRQGSWZNBOT-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266459026 836288354 /nfs/dbraw/zinc/28/83/54/836288354.db2.gz IKBSRQGSWZNBOT-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266540037 836439321 /nfs/dbraw/zinc/43/93/21/836439321.db2.gz NRLBYRIOCFYWFI-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266713012 836712477 /nfs/dbraw/zinc/71/24/77/836712477.db2.gz MERCSTDOHGNXDL-VBQJREDUSA-N 2 1 309.429 1.459 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267362937 837915178 /nfs/dbraw/zinc/91/51/78/837915178.db2.gz XPAWJYJQPXLXSQ-QZTJIDSGSA-N 2 1 313.445 1.941 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267732966 838779287 /nfs/dbraw/zinc/77/92/87/838779287.db2.gz XAOGNCVIXPSVCT-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267768707 838917503 /nfs/dbraw/zinc/91/75/03/838917503.db2.gz VQUNOWKOTCFDEY-CVEARBPZSA-N 2 1 311.470 1.308 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267823309 839034343 /nfs/dbraw/zinc/03/43/43/839034343.db2.gz GEUHNSDTTRYIBH-HNNXBMFYSA-N 2 1 311.389 1.389 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001267871222 839106619 /nfs/dbraw/zinc/10/66/19/839106619.db2.gz DFWVGVAHRNWIAI-QAPCUYQASA-N 2 1 316.449 1.870 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272043444 844423883 /nfs/dbraw/zinc/42/38/83/844423883.db2.gz MLRXMESFLLCBJO-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267999127 839350598 /nfs/dbraw/zinc/35/05/98/839350598.db2.gz SJVWHECVANJIAV-DZGCQCFKSA-N 2 1 304.438 1.672 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001268202425 839834447 /nfs/dbraw/zinc/83/44/47/839834447.db2.gz VOTPJIYRILFQHU-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001268202425 839834452 /nfs/dbraw/zinc/83/44/52/839834452.db2.gz VOTPJIYRILFQHU-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001268202425 839834457 /nfs/dbraw/zinc/83/44/57/839834457.db2.gz VOTPJIYRILFQHU-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001268202425 839834459 /nfs/dbraw/zinc/83/44/59/839834459.db2.gz VOTPJIYRILFQHU-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1CC ZINC001269188552 841318218 /nfs/dbraw/zinc/31/82/18/841318218.db2.gz GSFYVCWPWLTSQT-HOTGVXAUSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001269350242 841551526 /nfs/dbraw/zinc/55/15/26/841551526.db2.gz HAZNSOPZMBVIID-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001269350242 841551535 /nfs/dbraw/zinc/55/15/35/841551535.db2.gz HAZNSOPZMBVIID-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001269552643 841756483 /nfs/dbraw/zinc/75/64/83/841756483.db2.gz GKWZURSNRYCGSD-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001269971426 842189139 /nfs/dbraw/zinc/18/91/39/842189139.db2.gz GYOWCXVRVJFMQB-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=C)C)CC1 ZINC001270359638 842513506 /nfs/dbraw/zinc/51/35/06/842513506.db2.gz YVXHICFVLZLJFA-KRWDZBQOSA-N 2 1 317.477 1.831 20 30 DDEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001270655282 842780484 /nfs/dbraw/zinc/78/04/84/842780484.db2.gz CEVUNBPLQYAUQW-SFHVURJKSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000996996907 847108161 /nfs/dbraw/zinc/10/81/61/847108161.db2.gz AMLXUMZZJUODPN-KRWDZBQOSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC001327019778 861801217 /nfs/dbraw/zinc/80/12/17/861801217.db2.gz LVUJKIIFRZDCQX-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC#CC)CC1 ZINC001005517873 848062273 /nfs/dbraw/zinc/06/22/73/848062273.db2.gz GNHAHNAXSKCEML-KRWDZBQOSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC#CC)CC1 ZINC001005517873 848062280 /nfs/dbraw/zinc/06/22/80/848062280.db2.gz GNHAHNAXSKCEML-KRWDZBQOSA-N 2 1 301.434 1.030 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034367627 848392990 /nfs/dbraw/zinc/39/29/90/848392990.db2.gz NIEPBUJBMSGQRR-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034367627 848392993 /nfs/dbraw/zinc/39/29/93/848392993.db2.gz NIEPBUJBMSGQRR-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273144246 848565146 /nfs/dbraw/zinc/56/51/46/848565146.db2.gz OLUDVZCKYDZFCS-FUHWJXTLSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001273144246 848565148 /nfs/dbraw/zinc/56/51/48/848565148.db2.gz OLUDVZCKYDZFCS-FUHWJXTLSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001273144246 848565152 /nfs/dbraw/zinc/56/51/52/848565152.db2.gz OLUDVZCKYDZFCS-FUHWJXTLSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001273144246 848565154 /nfs/dbraw/zinc/56/51/54/848565154.db2.gz OLUDVZCKYDZFCS-FUHWJXTLSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001327298348 862040514 /nfs/dbraw/zinc/04/05/14/862040514.db2.gz GJVBXGCWISXBHF-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150488816 862267701 /nfs/dbraw/zinc/26/77/01/862267701.db2.gz NLVUCFXVUWKUOP-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCN1CC[C@]2(CC[N@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274110433 851935165 /nfs/dbraw/zinc/93/51/65/851935165.db2.gz LACPOXBHFLOSFU-SFHVURJKSA-N 2 1 310.401 1.945 20 30 DDEDMP C=CCN1CC[C@]2(CC[N@@H+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001274110433 851935173 /nfs/dbraw/zinc/93/51/73/851935173.db2.gz LACPOXBHFLOSFU-SFHVURJKSA-N 2 1 310.401 1.945 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC001274229504 852074639 /nfs/dbraw/zinc/07/46/39/852074639.db2.gz OGMCSGPOEMLZNT-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150624556 862363523 /nfs/dbraw/zinc/36/35/23/862363523.db2.gz AZCWWKVEUHKVCB-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150624556 862363541 /nfs/dbraw/zinc/36/35/41/862363541.db2.gz AZCWWKVEUHKVCB-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150624556 862363556 /nfs/dbraw/zinc/36/35/56/862363556.db2.gz AZCWWKVEUHKVCB-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001275039360 852765755 /nfs/dbraw/zinc/76/57/55/852765755.db2.gz SEMSWMYHWYSPEM-MRXNPFEDSA-N 2 1 301.434 1.473 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3sccc3C[NH+](C)C)C2)C1 ZINC001072793544 857707606 /nfs/dbraw/zinc/70/76/06/857707606.db2.gz FZUDWYYEVOTESR-UHFFFAOYSA-N 2 1 317.458 1.591 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4ccnc4C3)C2)C1 ZINC001072870331 857825598 /nfs/dbraw/zinc/82/55/98/857825598.db2.gz FPIRVMVYZPATPD-HNNXBMFYSA-N 2 1 312.417 1.003 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896197 857857721 /nfs/dbraw/zinc/85/77/21/857857721.db2.gz BGDBGZQARBIKOA-UHFFFAOYSA-N 2 1 301.434 1.172 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896413 857857920 /nfs/dbraw/zinc/85/79/20/857857920.db2.gz MYCXZKKZPREIBV-UHFFFAOYSA-N 2 1 303.450 1.725 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461524 858356545 /nfs/dbraw/zinc/35/65/45/858356545.db2.gz DNVFGLMVGNVAAQ-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225167841 881711025 /nfs/dbraw/zinc/71/10/25/881711025.db2.gz CVTMLHPLGKMASG-KRWDZBQOSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153819087 864131580 /nfs/dbraw/zinc/13/15/80/864131580.db2.gz MZCZPTNAPLAKLO-CVEARBPZSA-N 2 1 321.469 1.216 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153819087 864131586 /nfs/dbraw/zinc/13/15/86/864131586.db2.gz MZCZPTNAPLAKLO-CVEARBPZSA-N 2 1 321.469 1.216 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC001225228512 881734346 /nfs/dbraw/zinc/73/43/46/881734346.db2.gz NQJQNIPWZXUOJL-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001225228512 881734370 /nfs/dbraw/zinc/73/43/70/881734370.db2.gz NQJQNIPWZXUOJL-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001330294789 864220715 /nfs/dbraw/zinc/22/07/15/864220715.db2.gz ASCZNSGJIUYRFL-OSYLJGHBSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2nccn21 ZINC001158060168 864394577 /nfs/dbraw/zinc/39/45/77/864394577.db2.gz HSEFWBIHOHGHSS-HZPDHXFCSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001158060168 864394596 /nfs/dbraw/zinc/39/45/96/864394596.db2.gz HSEFWBIHOHGHSS-HZPDHXFCSA-N 2 1 314.433 1.707 20 30 DDEDMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001332010794 865501724 /nfs/dbraw/zinc/50/17/24/865501724.db2.gz DWFDMOLSBRQATA-RDJZCZTQSA-N 2 1 314.433 1.913 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3ccnc3)CCC[C@@H]12 ZINC001332111446 865585221 /nfs/dbraw/zinc/58/52/21/865585221.db2.gz NALOBQZADILDAF-JFIYKMOQSA-N 2 1 314.433 1.971 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001323638876 866738567 /nfs/dbraw/zinc/73/85/67/866738567.db2.gz VZDMDKAJOSTMBE-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323638876 866738580 /nfs/dbraw/zinc/73/85/80/866738580.db2.gz VZDMDKAJOSTMBE-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323638876 866738593 /nfs/dbraw/zinc/73/85/93/866738593.db2.gz VZDMDKAJOSTMBE-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001324092154 867063210 /nfs/dbraw/zinc/06/32/10/867063210.db2.gz YXHCVAWJMJMZQK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001324378191 867243820 /nfs/dbraw/zinc/24/38/20/867243820.db2.gz VKYMEUBHXXODRQ-WBVHZDCISA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001324896807 867612632 /nfs/dbraw/zinc/61/26/32/867612632.db2.gz AEMXMQDAIYYBMO-IBGZPJMESA-N 2 1 317.477 1.714 20 30 DDEDMP C=CC[C@H](CO)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324926878 867632085 /nfs/dbraw/zinc/63/20/85/867632085.db2.gz HZTMGVMDMHGDGY-INIZCTEOSA-N 2 1 321.440 1.852 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCOCC1 ZINC001325004913 867690948 /nfs/dbraw/zinc/69/09/48/867690948.db2.gz BNTFTZCWIUWBCI-HOTGVXAUSA-N 2 1 321.465 1.444 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001322279716 868093085 /nfs/dbraw/zinc/09/30/85/868093085.db2.gz AVHMZXVLLAHLBV-WMZOPIPTSA-N 2 1 315.461 1.815 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001322279716 868093091 /nfs/dbraw/zinc/09/30/91/868093091.db2.gz AVHMZXVLLAHLBV-WMZOPIPTSA-N 2 1 315.461 1.815 20 30 DDEDMP N#Cc1c2c(cnc1N1CCC(F)(F)[C@@H]([NH3+])C1)C[NH2+]CCC2 ZINC001164317249 869119885 /nfs/dbraw/zinc/11/98/85/869119885.db2.gz PYNLKJXLJWWTAN-ZDUSSCGKSA-N 2 1 307.348 1.162 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001164449331 869196753 /nfs/dbraw/zinc/19/67/53/869196753.db2.gz HYHLXPXMBUWMPG-AWEZNQCLSA-N 2 1 301.862 1.957 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164582713 869305513 /nfs/dbraw/zinc/30/55/13/869305513.db2.gz NRTKKOCMOLUQGM-HZPDHXFCSA-N 2 1 323.481 1.405 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165272522 869484807 /nfs/dbraw/zinc/48/48/07/869484807.db2.gz VJGVGGCDPVCVCC-HNNXBMFYSA-N 2 1 304.438 1.816 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001226340313 882366519 /nfs/dbraw/zinc/36/65/19/882366519.db2.gz AHYVBCDOQROPLE-YLFCFFPRSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001317032493 870140465 /nfs/dbraw/zinc/14/04/65/870140465.db2.gz FIOJNZPZRPQPOW-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001317032493 870140468 /nfs/dbraw/zinc/14/04/68/870140468.db2.gz FIOJNZPZRPQPOW-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317032493 870140473 /nfs/dbraw/zinc/14/04/73/870140473.db2.gz FIOJNZPZRPQPOW-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317032493 870140476 /nfs/dbraw/zinc/14/04/76/870140476.db2.gz FIOJNZPZRPQPOW-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001166708100 870179964 /nfs/dbraw/zinc/17/99/64/870179964.db2.gz MAWKZSMIJAWNMI-YOEHRIQHSA-N 2 1 314.433 1.352 20 30 DDEDMP C#CCC[N@H+](CCC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317545832 871042088 /nfs/dbraw/zinc/04/20/88/871042088.db2.gz LLHIEKZXXZYDOQ-INIZCTEOSA-N 2 1 316.449 1.605 20 30 DDEDMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001317545832 871042107 /nfs/dbraw/zinc/04/21/07/871042107.db2.gz LLHIEKZXXZYDOQ-INIZCTEOSA-N 2 1 316.449 1.605 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205334463 871499479 /nfs/dbraw/zinc/49/94/79/871499479.db2.gz NVTSYMKYDONAGC-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP Cc1ccc(NCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[nH+]c1 ZINC001341216653 871561436 /nfs/dbraw/zinc/56/14/36/871561436.db2.gz BTQGKFKTIKCKNN-XOYHFGRZSA-N 2 1 313.405 1.058 20 30 DDEDMP C#CC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC001341381997 871632549 /nfs/dbraw/zinc/63/25/49/871632549.db2.gz WMWDLGYNIXTUQV-MRXNPFEDSA-N 2 1 313.445 1.900 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC#CCOC ZINC001316876043 871810337 /nfs/dbraw/zinc/81/03/37/871810337.db2.gz BDCMIWGGPLCBLV-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C(C)C)C2CC2)CC1 ZINC001316926886 872396294 /nfs/dbraw/zinc/39/62/94/872396294.db2.gz HFJGRJHAMBHGEE-UHFFFAOYSA-N 2 1 305.466 1.711 20 30 DDEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001319248698 872520048 /nfs/dbraw/zinc/52/00/48/872520048.db2.gz AWHNIAQMKKOGDS-IAGOWNOFSA-N 2 1 323.481 1.241 20 30 DDEDMP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319572676 872696111 /nfs/dbraw/zinc/69/61/11/872696111.db2.gz CHVZJPGMMKYVRF-AEFFLSMTSA-N 2 1 313.445 1.426 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001207582706 873404486 /nfs/dbraw/zinc/40/44/86/873404486.db2.gz CESNBGFKCYZMIC-WDYWZEPKSA-N 2 1 317.477 1.877 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001208279246 873954413 /nfs/dbraw/zinc/95/44/13/873954413.db2.gz LIFWCIFUPKBUFW-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423730 874131923 /nfs/dbraw/zinc/13/19/23/874131923.db2.gz OARPOXHOJZCJDT-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209203338 874728780 /nfs/dbraw/zinc/72/87/80/874728780.db2.gz BYSRDONECJTKFD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210146668 875246793 /nfs/dbraw/zinc/24/67/93/875246793.db2.gz VIGYYIAJOBZMBO-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001378702541 875445025 /nfs/dbraw/zinc/44/50/25/875445025.db2.gz YYYIZYBGBRVFJS-UHFFFAOYSA-N 2 1 310.829 1.963 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H](OC)C1 ZINC001213434517 875939752 /nfs/dbraw/zinc/93/97/52/875939752.db2.gz FMYZXTIRIJXOFS-OWCLPIDISA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001222034767 880192741 /nfs/dbraw/zinc/19/27/41/880192741.db2.gz IWNDOCQQOHQTQB-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001222034767 880192750 /nfs/dbraw/zinc/19/27/50/880192750.db2.gz IWNDOCQQOHQTQB-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001222034767 880192760 /nfs/dbraw/zinc/19/27/60/880192760.db2.gz IWNDOCQQOHQTQB-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001222034767 880192770 /nfs/dbraw/zinc/19/27/70/880192770.db2.gz IWNDOCQQOHQTQB-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP N#Cc1cc(Cl)cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222104621 880255880 /nfs/dbraw/zinc/25/58/80/880255880.db2.gz JVGVSAKMGJEJOP-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001227986211 883268943 /nfs/dbraw/zinc/26/89/43/883268943.db2.gz AHGYLVXUDJUBPE-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C[NH+](C)CCC(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001228992780 883760035 /nfs/dbraw/zinc/76/00/35/883760035.db2.gz XJSBGGXSFDYRNB-UHFFFAOYSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)Cc1cccnc1 ZINC001230931768 885055595 /nfs/dbraw/zinc/05/55/95/885055595.db2.gz FIWDKAOGYHWYDD-UHFFFAOYSA-N 2 1 316.449 1.363 20 30 DDEDMP C#CC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)Cc1cccnc1 ZINC001230931768 885055609 /nfs/dbraw/zinc/05/56/09/885055609.db2.gz FIWDKAOGYHWYDD-UHFFFAOYSA-N 2 1 316.449 1.363 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230931768 885055623 /nfs/dbraw/zinc/05/56/23/885055623.db2.gz FIWDKAOGYHWYDD-UHFFFAOYSA-N 2 1 316.449 1.363 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230931768 885055640 /nfs/dbraw/zinc/05/56/40/885055640.db2.gz FIWDKAOGYHWYDD-UHFFFAOYSA-N 2 1 316.449 1.363 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368216 885563889 /nfs/dbraw/zinc/56/38/89/885563889.db2.gz JIXZKZOIZRBKOU-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001231368216 885563901 /nfs/dbraw/zinc/56/39/01/885563901.db2.gz JIXZKZOIZRBKOU-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001231368216 885563921 /nfs/dbraw/zinc/56/39/21/885563921.db2.gz JIXZKZOIZRBKOU-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001231368216 885563935 /nfs/dbraw/zinc/56/39/35/885563935.db2.gz JIXZKZOIZRBKOU-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001277727453 886643317 /nfs/dbraw/zinc/64/33/17/886643317.db2.gz WAOPCGUBOWKHRK-AEFFLSMTSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277939818 888587443 /nfs/dbraw/zinc/58/74/43/888587443.db2.gz ABDVXXLQDWYUOJ-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278466322 892906867 /nfs/dbraw/zinc/90/68/67/892906867.db2.gz IAEVPEPKQXHXQV-SOLBZPMBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001278637044 894806627 /nfs/dbraw/zinc/80/66/27/894806627.db2.gz SBXVPRJFSNFLJN-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001278637044 894806628 /nfs/dbraw/zinc/80/66/28/894806628.db2.gz SBXVPRJFSNFLJN-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CCn3c(C)c[nH+]c32)CC1 ZINC001252461965 895169514 /nfs/dbraw/zinc/16/95/14/895169514.db2.gz BWADSCASQVBIJR-HNNXBMFYSA-N 2 1 305.422 1.492 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001252557488 895277852 /nfs/dbraw/zinc/27/78/52/895277852.db2.gz MLIQMQRBKMWVIM-PBHICJAKSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001252557488 895277860 /nfs/dbraw/zinc/27/78/60/895277860.db2.gz MLIQMQRBKMWVIM-PBHICJAKSA-N 2 1 310.438 1.273 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728519 895884090 /nfs/dbraw/zinc/88/40/90/895884090.db2.gz OODAPXBUKGPNBM-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367415445 896713189 /nfs/dbraw/zinc/71/31/89/896713189.db2.gz GUFOGKKONMCNPY-UONOGXRCSA-N 2 1 301.862 1.954 20 30 DDEDMP NC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001255104826 896737417 /nfs/dbraw/zinc/73/74/17/896737417.db2.gz JPMKWJCDTJUWJQ-QGZVFWFLSA-N 2 1 322.412 1.765 20 30 DDEDMP NC(=O)c1ccc(C(=[NH2+])N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001255104826 896737424 /nfs/dbraw/zinc/73/74/24/896737424.db2.gz JPMKWJCDTJUWJQ-QGZVFWFLSA-N 2 1 322.412 1.765 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001278970273 897612808 /nfs/dbraw/zinc/61/28/08/897612808.db2.gz YMHWRHUFILLSKO-MSOLQXFVSA-N 2 1 313.445 1.723 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258729468 898304331 /nfs/dbraw/zinc/30/43/31/898304331.db2.gz VYNOTNHUQJHOTG-GVDBMIGSSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258729468 898304344 /nfs/dbraw/zinc/30/43/44/898304344.db2.gz VYNOTNHUQJHOTG-GVDBMIGSSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258729468 898304354 /nfs/dbraw/zinc/30/43/54/898304354.db2.gz VYNOTNHUQJHOTG-GVDBMIGSSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001258729468 898304365 /nfs/dbraw/zinc/30/43/65/898304365.db2.gz VYNOTNHUQJHOTG-GVDBMIGSSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001263836954 900752452 /nfs/dbraw/zinc/75/24/52/900752452.db2.gz PZUDIMHDCUZZGM-BBWFWOEESA-N 2 1 305.466 1.615 20 30 DDEDMP C=CC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001265370729 901933037 /nfs/dbraw/zinc/93/30/37/901933037.db2.gz XHWUGBUDOLOXDH-PBHICJAKSA-N 2 1 311.445 1.869 20 30 DDEDMP C#CCC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C(C)C)c(F)c1 ZINC001279723140 903397623 /nfs/dbraw/zinc/39/76/23/903397623.db2.gz RXODDAPLEPWLAO-UHFFFAOYSA-N 2 1 319.424 1.895 20 30 DDEDMP C=C(Br)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392530853 904375432 /nfs/dbraw/zinc/37/54/32/904375432.db2.gz RAWXWTNHJIXNLB-SNVBAGLBSA-N 2 1 315.215 1.194 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001281939205 905330224 /nfs/dbraw/zinc/33/02/24/905330224.db2.gz CGTRGFLQAYHPFP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001281939205 905330241 /nfs/dbraw/zinc/33/02/41/905330241.db2.gz CGTRGFLQAYHPFP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001281939205 905330254 /nfs/dbraw/zinc/33/02/54/905330254.db2.gz CGTRGFLQAYHPFP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001283068798 906569129 /nfs/dbraw/zinc/56/91/29/906569129.db2.gz CZAOADDHUSPLHG-JYJNAYRXSA-N 2 1 316.449 1.814 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001393716376 907744336 /nfs/dbraw/zinc/74/43/36/907744336.db2.gz PZVYXXJQMMJRGI-CYBMUJFWSA-N 2 1 315.845 1.088 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001283913715 908170570 /nfs/dbraw/zinc/17/05/70/908170570.db2.gz QKNUTHNMUCRNFZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001284223227 908681192 /nfs/dbraw/zinc/68/11/92/908681192.db2.gz DPVWSRAMYNYTQR-IAGOWNOFSA-N 2 1 316.449 1.870 20 30 DDEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001284502313 909098967 /nfs/dbraw/zinc/09/89/67/909098967.db2.gz NFPVYUHSLCYVOD-DLBZAZTESA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001284502313 909098983 /nfs/dbraw/zinc/09/89/83/909098983.db2.gz NFPVYUHSLCYVOD-DLBZAZTESA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001284502313 909098996 /nfs/dbraw/zinc/09/89/96/909098996.db2.gz NFPVYUHSLCYVOD-DLBZAZTESA-N 2 1 323.481 1.331 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001284520046 909135682 /nfs/dbraw/zinc/13/56/82/909135682.db2.gz MTSDCSWSOSCASL-QGZVFWFLSA-N 2 1 323.481 1.027 20 30 DDEDMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424137667 529760569 /nfs/dbraw/zinc/76/05/69/529760569.db2.gz CGZFLCCMVVMLGU-ZIAGYGMSSA-N 2 1 303.410 1.630 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000069045515 353142274 /nfs/dbraw/zinc/14/22/74/353142274.db2.gz DZGOTNJUFSZODG-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080959202 353639020 /nfs/dbraw/zinc/63/90/20/353639020.db2.gz RWRIGRXFEVNKIN-AWEZNQCLSA-N 2 1 314.393 1.245 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594446967 356219840 /nfs/dbraw/zinc/21/98/40/356219840.db2.gz BUXDSBIOUMTKNU-KBXIAJHMSA-N 2 1 310.442 1.012 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594446967 356219844 /nfs/dbraw/zinc/21/98/44/356219844.db2.gz BUXDSBIOUMTKNU-KBXIAJHMSA-N 2 1 310.442 1.012 20 30 DDEDMP C[N@H+]1CC[C@]2(C1)CCCN(CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507132 356524325 /nfs/dbraw/zinc/52/43/25/356524325.db2.gz KFSVERDNJQELTH-KRWDZBQOSA-N 2 1 317.437 1.060 20 30 DDEDMP N#CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000595614749 356578103 /nfs/dbraw/zinc/57/81/03/356578103.db2.gz NJRLZEOZEHEIRE-CQSZACIVSA-N 2 1 304.438 1.355 20 30 DDEDMP N#CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000595614749 356578105 /nfs/dbraw/zinc/57/81/05/356578105.db2.gz NJRLZEOZEHEIRE-CQSZACIVSA-N 2 1 304.438 1.355 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595992380 356738721 /nfs/dbraw/zinc/73/87/21/356738721.db2.gz PWTQYMCRMYSNNX-CVEARBPZSA-N 2 1 306.454 1.636 20 30 DDEDMP N#Cc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000602441802 358979136 /nfs/dbraw/zinc/97/91/36/358979136.db2.gz XAMRXPXPBJKCGH-UHFFFAOYSA-N 2 1 300.406 1.497 20 30 DDEDMP C[C@@H](CC#N)NCC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000602860685 359245987 /nfs/dbraw/zinc/24/59/87/359245987.db2.gz DLBQUWRPYMPWIZ-HNNXBMFYSA-N 2 1 322.453 1.029 20 30 DDEDMP C[C@@H](CCC#N)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000618887413 363784606 /nfs/dbraw/zinc/78/46/06/363784606.db2.gz YXNNQIUTUDHNJB-INIZCTEOSA-N 2 1 320.481 1.802 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120462071 781960069 /nfs/dbraw/zinc/96/00/69/781960069.db2.gz VECNYQMQMJFVNR-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120462071 781960077 /nfs/dbraw/zinc/96/00/77/781960077.db2.gz VECNYQMQMJFVNR-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120462071 781960083 /nfs/dbraw/zinc/96/00/83/781960083.db2.gz VECNYQMQMJFVNR-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004453 407163026 /nfs/dbraw/zinc/16/30/26/407163026.db2.gz DPAWZQRMATXIIR-MRXNPFEDSA-N 2 1 316.449 1.875 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004453 407163029 /nfs/dbraw/zinc/16/30/29/407163029.db2.gz DPAWZQRMATXIIR-MRXNPFEDSA-N 2 1 316.449 1.875 20 30 DDEDMP CCCNC(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000104169444 407348703 /nfs/dbraw/zinc/34/87/03/407348703.db2.gz ZXHYHJGPBFEJAV-UHFFFAOYSA-N 2 1 317.481 1.509 20 30 DDEDMP CN(C)CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000288641054 409172034 /nfs/dbraw/zinc/17/20/34/409172034.db2.gz COOYUPMTSMDXNG-UHFFFAOYSA-N 2 1 317.481 1.785 20 30 DDEDMP CN(C)CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000288641054 409172037 /nfs/dbraw/zinc/17/20/37/409172037.db2.gz COOYUPMTSMDXNG-UHFFFAOYSA-N 2 1 317.481 1.785 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000296133237 409441528 /nfs/dbraw/zinc/44/15/28/409441528.db2.gz CWLVRUDHJAVOOS-UHFFFAOYSA-N 2 1 316.449 1.503 20 30 DDEDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(CCC#N)CCC#N)C[C@@H]1C ZINC000354227159 409735415 /nfs/dbraw/zinc/73/54/15/409735415.db2.gz ZLEGWPXUIXSGKS-JKSUJKDBSA-N 2 1 319.453 1.447 20 30 DDEDMP Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329267637 410202527 /nfs/dbraw/zinc/20/25/27/410202527.db2.gz GCDIXHHZSQLEBL-KBMXLJTQSA-N 2 1 319.453 1.768 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329267637 410202537 /nfs/dbraw/zinc/20/25/37/410202537.db2.gz GCDIXHHZSQLEBL-KBMXLJTQSA-N 2 1 319.453 1.768 20 30 DDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330220799 410592446 /nfs/dbraw/zinc/59/24/46/410592446.db2.gz LBXXTHSBKNMYRK-HNNXBMFYSA-N 2 1 309.454 1.805 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652360741 422978745 /nfs/dbraw/zinc/97/87/45/422978745.db2.gz PFJKOBOBMFCEIU-BRWVUGGUSA-N 2 1 321.465 1.548 20 30 DDEDMP CCCCNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000170911960 221749016 /nfs/dbraw/zinc/74/90/16/221749016.db2.gz ZAYZCMRBYGLHLY-UHFFFAOYSA-N 2 1 304.442 1.038 20 30 DDEDMP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261958184 222263496 /nfs/dbraw/zinc/26/34/96/222263496.db2.gz JIZLDZFGVINXCQ-DZGCQCFKSA-N 3 1 306.458 1.085 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261958184 222263499 /nfs/dbraw/zinc/26/34/99/222263499.db2.gz JIZLDZFGVINXCQ-DZGCQCFKSA-N 3 1 306.458 1.085 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264133641 222323986 /nfs/dbraw/zinc/32/39/86/222323986.db2.gz YYRMNCJIPDVHFO-OAHLLOKOSA-N 2 1 318.469 1.297 20 30 DDEDMP C[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000262023021 222271106 /nfs/dbraw/zinc/27/11/06/222271106.db2.gz YQJDKASYYQWNJM-UHFFFAOYSA-N 2 1 304.394 1.669 20 30 DDEDMP C[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)C1CC1 ZINC000262023021 222271109 /nfs/dbraw/zinc/27/11/09/222271109.db2.gz YQJDKASYYQWNJM-UHFFFAOYSA-N 2 1 304.394 1.669 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)=[NH+]C ZINC000262403026 222278844 /nfs/dbraw/zinc/27/88/44/222278844.db2.gz OAPJQCCVDQUPPR-QKPAOTATSA-N 2 1 322.497 1.839 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccccc1 ZINC000264079224 222313753 /nfs/dbraw/zinc/31/37/53/222313753.db2.gz ICDLQTCGJMLAJX-OAHLLOKOSA-N 2 1 304.438 1.844 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000362026716 418741463 /nfs/dbraw/zinc/74/14/63/418741463.db2.gz XAJWFQAUCZJCRW-WBVHZDCISA-N 2 1 320.481 1.763 20 30 DDEDMP C=CCOc1ccc(C[NH2+]C[C@H]2CNCCN2C)cc1Cl ZINC000414959373 419894080 /nfs/dbraw/zinc/89/40/80/419894080.db2.gz FFIZGSXSBJETPQ-CQSZACIVSA-N 2 1 309.841 1.898 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000491371123 421197484 /nfs/dbraw/zinc/19/74/84/421197484.db2.gz CPWXFIFQYXQVOK-QGZVFWFLSA-N 2 1 320.481 1.601 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000530334790 421594462 /nfs/dbraw/zinc/59/44/62/421594462.db2.gz WQLDPYPYUCUWPO-GJZGRUSLSA-N 2 1 306.454 1.744 20 30 DDEDMP CCc1nc(C#N)cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000596363670 422375341 /nfs/dbraw/zinc/37/53/41/422375341.db2.gz UWGGOSJZUNBTLF-ZDUSSCGKSA-N 2 1 304.442 1.595 20 30 DDEDMP CCc1nc(C#N)cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596363670 422375346 /nfs/dbraw/zinc/37/53/46/422375346.db2.gz UWGGOSJZUNBTLF-ZDUSSCGKSA-N 2 1 304.442 1.595 20 30 DDEDMP N#Cc1csc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c1 ZINC000344310446 268320318 /nfs/dbraw/zinc/32/03/18/268320318.db2.gz UWCJHYKCPMSMKY-UHFFFAOYSA-N 2 1 322.478 1.099 20 30 DDEDMP CCCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000104169365 276003492 /nfs/dbraw/zinc/00/34/92/276003492.db2.gz XQVWYMSFAUCOIX-QGZVFWFLSA-N 2 1 317.481 1.680 20 30 DDEDMP CCCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000104169365 276003494 /nfs/dbraw/zinc/00/34/94/276003494.db2.gz XQVWYMSFAUCOIX-QGZVFWFLSA-N 2 1 317.481 1.680 20 30 DDEDMP CCCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000104169365 276003495 /nfs/dbraw/zinc/00/34/95/276003495.db2.gz XQVWYMSFAUCOIX-QGZVFWFLSA-N 2 1 317.481 1.680 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000174776925 340395920 /nfs/dbraw/zinc/39/59/20/340395920.db2.gz JUUUMGQOIBGZCC-GDBMZVCRSA-N 2 1 308.470 1.761 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000491807189 526811893 /nfs/dbraw/zinc/81/18/93/526811893.db2.gz SKCYQLFDNZOINC-UHFFFAOYSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000490594689 526925012 /nfs/dbraw/zinc/92/50/12/526925012.db2.gz UXSZBPLPWWZDCX-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000491784046 526983678 /nfs/dbraw/zinc/98/36/78/526983678.db2.gz PZULJDBOOLIMJT-GOSISDBHSA-N 2 1 313.445 1.280 20 30 DDEDMP C#C[C@@H](CC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491545509 527231614 /nfs/dbraw/zinc/23/16/14/527231614.db2.gz QNMNHQPEAJUYQZ-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980217880 696710530 /nfs/dbraw/zinc/71/05/30/696710530.db2.gz UUQUYNPJZWYROD-JYJNAYRXSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980244178 696717133 /nfs/dbraw/zinc/71/71/33/696717133.db2.gz XWQJFWNILDIXPS-JYJNAYRXSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980244178 696717134 /nfs/dbraw/zinc/71/71/34/696717134.db2.gz XWQJFWNILDIXPS-JYJNAYRXSA-N 2 1 300.406 1.041 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975040068 695782459 /nfs/dbraw/zinc/78/24/59/695782459.db2.gz PBWUNFVJHVECSA-GOEBONIOSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975040068 695782461 /nfs/dbraw/zinc/78/24/61/695782461.db2.gz PBWUNFVJHVECSA-GOEBONIOSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCCC)C[C@H]32)CC1 ZINC000979093296 696494299 /nfs/dbraw/zinc/49/42/99/696494299.db2.gz UYFLQSKHRJHKMJ-NNZMDNLPSA-N 2 1 317.477 1.426 20 30 DDEDMP CC[C@H](CNC(=[NH2+])N[C@@H](C)COC)[N@H+]1CCc2ccccc2C1 ZINC000104167625 696618967 /nfs/dbraw/zinc/61/89/67/696618967.db2.gz GTQDWWLXEMANOV-WMLDXEAASA-N 2 1 318.465 1.763 20 30 DDEDMP CC[C@H](CNC(=[NH2+])N[C@H](C)COC)[N@H+]1CCc2ccccc2C1 ZINC000104167635 696618990 /nfs/dbraw/zinc/61/89/90/696618990.db2.gz GTQDWWLXEMANOV-RHSMWYFYSA-N 2 1 318.465 1.763 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013208 697002933 /nfs/dbraw/zinc/00/29/33/697002933.db2.gz OEQGDQHDOBVSTH-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013208 697002936 /nfs/dbraw/zinc/00/29/36/697002936.db2.gz OEQGDQHDOBVSTH-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013208 697002939 /nfs/dbraw/zinc/00/29/39/697002939.db2.gz OEQGDQHDOBVSTH-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981227118 697040373 /nfs/dbraw/zinc/04/03/73/697040373.db2.gz DGJHEUATUNCJMU-ZIAGYGMSSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC000982507139 697141768 /nfs/dbraw/zinc/14/17/68/697141768.db2.gz MBMLZPPZQABGME-KDURUIRLSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982740301 697175047 /nfs/dbraw/zinc/17/50/47/697175047.db2.gz HJJFJTRAQKYZAS-HDICACEKSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985557758 697529840 /nfs/dbraw/zinc/52/98/40/697529840.db2.gz DYBPAUNIWDNZGC-KRWDZBQOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000985559362 697530295 /nfs/dbraw/zinc/53/02/95/697530295.db2.gz SDUSSNXIKFYABF-KRWDZBQOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000985594572 697538507 /nfs/dbraw/zinc/53/85/07/697538507.db2.gz XEEPBIGZMSKBAZ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000985594572 697538509 /nfs/dbraw/zinc/53/85/09/697538509.db2.gz XEEPBIGZMSKBAZ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000985594572 697538510 /nfs/dbraw/zinc/53/85/10/697538510.db2.gz XEEPBIGZMSKBAZ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC000986455524 697817375 /nfs/dbraw/zinc/81/73/75/697817375.db2.gz KXECRTCGSKJQBR-OCCSQVGLSA-N 2 1 306.410 1.505 20 30 DDEDMP C[NH+](C)C1(CNC(=[NH2+])NC[C@H]2CCCO2)Cc2ccccc2C1 ZINC000262617836 698476296 /nfs/dbraw/zinc/47/62/96/698476296.db2.gz BYPQQWYWECJERH-MRXNPFEDSA-N 2 1 316.449 1.169 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000303876918 698608551 /nfs/dbraw/zinc/60/85/51/698608551.db2.gz FDCQFHKABKVAMF-HRCADAONSA-N 2 1 309.502 1.638 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000303876918 698608552 /nfs/dbraw/zinc/60/85/52/698608552.db2.gz FDCQFHKABKVAMF-HRCADAONSA-N 3 1 309.502 1.638 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000303876918 698608554 /nfs/dbraw/zinc/60/85/54/698608554.db2.gz FDCQFHKABKVAMF-HRCADAONSA-N 3 1 309.502 1.638 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1C ZINC000303891867 698610063 /nfs/dbraw/zinc/61/00/63/698610063.db2.gz QYWYJLAHVGIFIT-HNNXBMFYSA-N 2 1 304.438 1.762 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000304749642 698624166 /nfs/dbraw/zinc/62/41/66/698624166.db2.gz HVWRIXJNMZDZAS-INIZCTEOSA-N 3 1 309.502 1.497 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(F)cc1 ZINC000304813963 698625839 /nfs/dbraw/zinc/62/58/39/698625839.db2.gz ZITFGHURJSYMOQ-UKRRQHHQSA-N 2 1 322.428 1.982 20 30 DDEDMP C[NH+]1CCN(N=CC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000751126779 700269880 /nfs/dbraw/zinc/26/98/80/700269880.db2.gz FIDVPALDSQZNSQ-UHFFFAOYSA-N 2 1 308.470 1.502 20 30 DDEDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314848 704861164 /nfs/dbraw/zinc/86/11/64/704861164.db2.gz AQFMEVCDKQKYMC-AEFFLSMTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314848 704861169 /nfs/dbraw/zinc/86/11/69/704861169.db2.gz AQFMEVCDKQKYMC-AEFFLSMTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314848 704861173 /nfs/dbraw/zinc/86/11/73/704861173.db2.gz AQFMEVCDKQKYMC-AEFFLSMTSA-N 2 1 321.465 1.475 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000876715585 705835193 /nfs/dbraw/zinc/83/51/93/705835193.db2.gz QDQUFDNYCYNFBF-UPJWGTAASA-N 2 1 317.861 1.460 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)C1CC1 ZINC000876748279 705855379 /nfs/dbraw/zinc/85/53/79/705855379.db2.gz AHOKFLVJKAXJAS-KRWDZBQOSA-N 2 1 312.417 1.346 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000876750720 705857045 /nfs/dbraw/zinc/85/70/45/705857045.db2.gz RSUQPKWIAFWXBS-AEFFLSMTSA-N 2 1 324.428 1.442 20 30 DDEDMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878016090 706264761 /nfs/dbraw/zinc/26/47/61/706264761.db2.gz PVSZRMFOZQZOLB-INIZCTEOSA-N 2 1 310.438 1.538 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000836209811 707417121 /nfs/dbraw/zinc/41/71/21/707417121.db2.gz MWCYYLYMECUTGF-UHFFFAOYSA-N 2 1 322.497 1.895 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C1=O ZINC000873209853 707769889 /nfs/dbraw/zinc/76/98/89/707769889.db2.gz UHPQFPKZSSEGEN-CQSZACIVSA-N 2 1 305.447 1.613 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C1=O ZINC000873209853 707769892 /nfs/dbraw/zinc/76/98/92/707769892.db2.gz UHPQFPKZSSEGEN-CQSZACIVSA-N 2 1 305.447 1.613 20 30 DDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000884188594 708179080 /nfs/dbraw/zinc/17/90/80/708179080.db2.gz LRAWFDFUAJSEAV-HJODHOHWSA-N 2 1 318.465 1.362 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000884202234 708187221 /nfs/dbraw/zinc/18/72/21/708187221.db2.gz UJOCBJROXLAXDZ-MRXNPFEDSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](CC)CC2)C1 ZINC000884202234 708187223 /nfs/dbraw/zinc/18/72/23/708187223.db2.gz UJOCBJROXLAXDZ-MRXNPFEDSA-N 2 1 306.454 1.115 20 30 DDEDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884231952 708202162 /nfs/dbraw/zinc/20/21/62/708202162.db2.gz FFVRLCIUBPMLCU-YLADIXGZSA-N 2 1 316.449 1.211 20 30 DDEDMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884312338 708238700 /nfs/dbraw/zinc/23/87/00/708238700.db2.gz BVZVYYXRLVGENF-BOLLXYOYSA-N 2 1 306.454 1.362 20 30 DDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000884393912 708278254 /nfs/dbraw/zinc/27/82/54/708278254.db2.gz PHRQWOKCBLVRGH-DSZOFWSKSA-N 2 1 316.449 1.259 20 30 DDEDMP C[C@@H](CNC(NC(C)(C)C)=[NH+]C1CC1)CN1CC[NH+](C)CC1 ZINC000912506157 711356993 /nfs/dbraw/zinc/35/69/93/711356993.db2.gz JNVMEGUDOYTRSR-AWEZNQCLSA-N 2 1 309.502 1.366 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000963832735 717920357 /nfs/dbraw/zinc/92/03/57/717920357.db2.gz AWVNBDOKFXPINC-JCYILVPMSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000963832735 717920360 /nfs/dbraw/zinc/92/03/60/717920360.db2.gz AWVNBDOKFXPINC-JCYILVPMSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CCN(C(=O)N[C@H](C)C[N@H+](CC)CCC)C1CC[NH+](C)CC1 ZINC000922546396 714085002 /nfs/dbraw/zinc/08/50/02/714085002.db2.gz VPIFHUSCRFTNOP-MRXNPFEDSA-N 2 1 322.497 1.846 20 30 DDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])C34CCC4)C2=O)cc1 ZINC000925651222 714907280 /nfs/dbraw/zinc/90/72/80/714907280.db2.gz YSMYKNGHPUTOMS-YESZJQIVSA-N 2 1 324.428 1.519 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000959914168 716351967 /nfs/dbraw/zinc/35/19/67/716351967.db2.gz OUMRPVNOCHFRHZ-BGTYHANMSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959914168 716351973 /nfs/dbraw/zinc/35/19/73/716351973.db2.gz OUMRPVNOCHFRHZ-BGTYHANMSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959914168 716351976 /nfs/dbraw/zinc/35/19/76/716351976.db2.gz OUMRPVNOCHFRHZ-BGTYHANMSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000961568210 717007968 /nfs/dbraw/zinc/00/79/68/717007968.db2.gz PSDGYTZGBPZMKH-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000961568210 717007971 /nfs/dbraw/zinc/00/79/71/717007971.db2.gz PSDGYTZGBPZMKH-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000961568210 717007973 /nfs/dbraw/zinc/00/79/73/717007973.db2.gz PSDGYTZGBPZMKH-XWTMOSNGSA-N 2 1 315.461 1.463 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224314 717133838 /nfs/dbraw/zinc/13/38/38/717133838.db2.gz UBJBNMGGKRQUKP-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941224314 717133839 /nfs/dbraw/zinc/13/38/39/717133839.db2.gz UBJBNMGGKRQUKP-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961943727 717257185 /nfs/dbraw/zinc/25/71/85/717257185.db2.gz IGYKWMBZBHCRAL-VVLHAWIVSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000961943727 717257187 /nfs/dbraw/zinc/25/71/87/717257187.db2.gz IGYKWMBZBHCRAL-VVLHAWIVSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000961943727 717257192 /nfs/dbraw/zinc/25/71/92/717257192.db2.gz IGYKWMBZBHCRAL-VVLHAWIVSA-N 2 1 303.450 1.319 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963412451 717780432 /nfs/dbraw/zinc/78/04/32/717780432.db2.gz BGLDXTATVVNOEG-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)C[C@@H]2C)CC1 ZINC000945176991 718414733 /nfs/dbraw/zinc/41/47/33/718414733.db2.gz AGOTTZSBTAAMSD-FUHWJXTLSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905181 718704736 /nfs/dbraw/zinc/70/47/36/718704736.db2.gz ZQPMCUVDFKEGMI-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000966905181 718704737 /nfs/dbraw/zinc/70/47/37/718704737.db2.gz ZQPMCUVDFKEGMI-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC000947438529 719163847 /nfs/dbraw/zinc/16/38/47/719163847.db2.gz XDYFPLHOPJLPQB-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947883229 719297886 /nfs/dbraw/zinc/29/78/86/719297886.db2.gz ZSYQHRMVXPACIC-DOTOQJQBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)C[C@H]1C ZINC000947919915 719307536 /nfs/dbraw/zinc/30/75/36/719307536.db2.gz AQJODNALASNMAU-HUUCEWRRSA-N 2 1 323.400 1.483 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583244 719562242 /nfs/dbraw/zinc/56/22/42/719562242.db2.gz MBFJMXWSKJEXSJ-QGZVFWFLSA-N 2 1 317.477 1.951 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655742 719719729 /nfs/dbraw/zinc/71/97/29/719719729.db2.gz RVZYYKKVEHHUFN-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655742 719719730 /nfs/dbraw/zinc/71/97/30/719719730.db2.gz RVZYYKKVEHHUFN-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968675088 719729690 /nfs/dbraw/zinc/72/96/90/719729690.db2.gz XFZOIIHGZNTBHE-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968675088 719729694 /nfs/dbraw/zinc/72/96/94/719729694.db2.gz XFZOIIHGZNTBHE-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969118920 719967220 /nfs/dbraw/zinc/96/72/20/719967220.db2.gz ZXDDOHWFUUWKLC-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153992 719979916 /nfs/dbraw/zinc/97/99/16/719979916.db2.gz URLDDUABKYFWKR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153992 719979918 /nfs/dbraw/zinc/97/99/18/719979918.db2.gz URLDDUABKYFWKR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153992 719979920 /nfs/dbraw/zinc/97/99/20/719979920.db2.gz URLDDUABKYFWKR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153992 719979923 /nfs/dbraw/zinc/97/99/23/719979923.db2.gz URLDDUABKYFWKR-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000970326941 720712286 /nfs/dbraw/zinc/71/22/86/720712286.db2.gz YFYMFOZYENRNRJ-MAUKXSAKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000970326941 720712292 /nfs/dbraw/zinc/71/22/92/720712292.db2.gz YFYMFOZYENRNRJ-MAUKXSAKSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970339539 720719065 /nfs/dbraw/zinc/71/90/65/720719065.db2.gz UGZNJCCBAVPQQP-JSGCOSHPSA-N 2 1 302.422 1.376 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555685 721353499 /nfs/dbraw/zinc/35/34/99/721353499.db2.gz JCMPCYYNGZRYMI-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001023757502 735442430 /nfs/dbraw/zinc/44/24/30/735442430.db2.gz IFCGLEUFFVYXHO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023757502 735442431 /nfs/dbraw/zinc/44/24/31/735442431.db2.gz IFCGLEUFFVYXHO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757502 735442432 /nfs/dbraw/zinc/44/24/32/735442432.db2.gz IFCGLEUFFVYXHO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757502 735442433 /nfs/dbraw/zinc/44/24/33/735442433.db2.gz IFCGLEUFFVYXHO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757502 735442434 /nfs/dbraw/zinc/44/24/34/735442434.db2.gz IFCGLEUFFVYXHO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027692849 738556886 /nfs/dbraw/zinc/55/68/86/738556886.db2.gz OYUFTZAZQGQXSD-QGZVFWFLSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001114956600 732609557 /nfs/dbraw/zinc/60/95/57/732609557.db2.gz LISIFRGYPPHGOX-ARLBYUKCSA-N 2 1 302.422 1.601 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001114956600 732609558 /nfs/dbraw/zinc/60/95/58/732609558.db2.gz LISIFRGYPPHGOX-ARLBYUKCSA-N 2 1 302.422 1.601 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001021047507 732913488 /nfs/dbraw/zinc/91/34/88/732913488.db2.gz FVEDLGQSPWRAEY-BRWVUGGUSA-N 2 1 312.417 1.247 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001022197036 734430558 /nfs/dbraw/zinc/43/05/58/734430558.db2.gz XJEWNEOXBPDTBX-LZWOXQAQSA-N 2 1 307.438 1.053 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC)C2 ZINC001121251843 782425510 /nfs/dbraw/zinc/42/55/10/782425510.db2.gz ZTJAEPLTMRXKOK-RFSHTEQGSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CCCC)C2 ZINC001121251843 782425518 /nfs/dbraw/zinc/42/55/18/782425518.db2.gz ZTJAEPLTMRXKOK-RFSHTEQGSA-N 2 1 317.477 1.901 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121318322 782457804 /nfs/dbraw/zinc/45/78/04/782457804.db2.gz FCCWVIKJYOODDB-UHFFFAOYSA-N 2 1 305.466 1.757 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001023429112 735227770 /nfs/dbraw/zinc/22/77/70/735227770.db2.gz DNLHZYBYISOIMR-RRFJBIMHSA-N 2 1 300.406 1.365 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001023429112 735227774 /nfs/dbraw/zinc/22/77/74/735227774.db2.gz DNLHZYBYISOIMR-RRFJBIMHSA-N 2 1 300.406 1.365 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447650 735236182 /nfs/dbraw/zinc/23/61/82/735236182.db2.gz SKNVFEANLZJIFP-JKSUJKDBSA-N 2 1 316.449 1.850 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001024448814 735834265 /nfs/dbraw/zinc/83/42/65/735834265.db2.gz ZFAOYAPWYBHSOO-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448814 735834268 /nfs/dbraw/zinc/83/42/68/735834268.db2.gz ZFAOYAPWYBHSOO-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001024448814 735834272 /nfs/dbraw/zinc/83/42/72/735834272.db2.gz ZFAOYAPWYBHSOO-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516081 735892655 /nfs/dbraw/zinc/89/26/55/735892655.db2.gz GHYRPVQHHKYKIM-HZPDHXFCSA-N 2 1 316.449 1.992 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531208 735905451 /nfs/dbraw/zinc/90/54/51/735905451.db2.gz ONSWWZJLUZQFCY-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001024531208 735905455 /nfs/dbraw/zinc/90/54/55/735905455.db2.gz ONSWWZJLUZQFCY-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCF)CC1 ZINC001024812245 736107812 /nfs/dbraw/zinc/10/78/12/736107812.db2.gz MQYNFGOKCYHBBS-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCF)CC1 ZINC001024812245 736107813 /nfs/dbraw/zinc/10/78/13/736107813.db2.gz MQYNFGOKCYHBBS-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC2)CC1 ZINC001024813175 736108678 /nfs/dbraw/zinc/10/86/78/736108678.db2.gz VWZPELJIOLPHQY-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781479 736851339 /nfs/dbraw/zinc/85/13/39/736851339.db2.gz FSQFBHRPNPXJOK-SMLCLMEVSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781479 736851343 /nfs/dbraw/zinc/85/13/43/736851343.db2.gz FSQFBHRPNPXJOK-SMLCLMEVSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781479 736851348 /nfs/dbraw/zinc/85/13/48/736851348.db2.gz FSQFBHRPNPXJOK-SMLCLMEVSA-N 2 1 303.450 1.483 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009626118 738279767 /nfs/dbraw/zinc/27/97/67/738279767.db2.gz IEAOSPMKODJDOO-KRWDZBQOSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001027979853 738901001 /nfs/dbraw/zinc/90/10/01/738901001.db2.gz ISTUPMVUBMLTFE-GJZGRUSLSA-N 2 1 300.406 1.049 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099989 739035217 /nfs/dbraw/zinc/03/52/17/739035217.db2.gz DLAQYJBYPVGDPM-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099989 739035222 /nfs/dbraw/zinc/03/52/22/739035222.db2.gz DLAQYJBYPVGDPM-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035364939 751449375 /nfs/dbraw/zinc/44/93/75/751449375.db2.gz FMRSENDPGBVOCO-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035364939 751449377 /nfs/dbraw/zinc/44/93/77/751449377.db2.gz FMRSENDPGBVOCO-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035364939 751449380 /nfs/dbraw/zinc/44/93/80/751449380.db2.gz FMRSENDPGBVOCO-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028571359 739664946 /nfs/dbraw/zinc/66/49/46/739664946.db2.gz AVQZBBUQMHTJRE-ZDUSSCGKSA-N 2 1 305.447 1.495 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028594619 739759241 /nfs/dbraw/zinc/75/92/41/739759241.db2.gz ITOQNWHTJQTMFZ-WBVHZDCISA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028594619 739759243 /nfs/dbraw/zinc/75/92/43/739759243.db2.gz ITOQNWHTJQTMFZ-WBVHZDCISA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028594619 739759246 /nfs/dbraw/zinc/75/92/46/739759246.db2.gz ITOQNWHTJQTMFZ-WBVHZDCISA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758073 739999285 /nfs/dbraw/zinc/99/92/85/739999285.db2.gz MYUQRORPMUBASK-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758073 739999286 /nfs/dbraw/zinc/99/92/86/739999286.db2.gz MYUQRORPMUBASK-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758073 739999288 /nfs/dbraw/zinc/99/92/88/739999288.db2.gz MYUQRORPMUBASK-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799995 740057500 /nfs/dbraw/zinc/05/75/00/740057500.db2.gz MKZVLGYWOMAJKW-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799995 740057505 /nfs/dbraw/zinc/05/75/05/740057505.db2.gz MKZVLGYWOMAJKW-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087574444 740661091 /nfs/dbraw/zinc/66/10/91/740661091.db2.gz HCTYYQKQPZDXOF-YESZJQIVSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840809 740780635 /nfs/dbraw/zinc/78/06/35/740780635.db2.gz OVBAPJMWEBEWGT-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840809 740780638 /nfs/dbraw/zinc/78/06/38/740780638.db2.gz OVBAPJMWEBEWGT-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840809 740780640 /nfs/dbraw/zinc/78/06/40/740780640.db2.gz OVBAPJMWEBEWGT-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154090 741068594 /nfs/dbraw/zinc/06/85/94/741068594.db2.gz XJDYWCOGYKNDJT-CVEARBPZSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040245570 742200629 /nfs/dbraw/zinc/20/06/29/742200629.db2.gz UNVLHSDGRKITBX-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C(C)C)C2 ZINC001040245570 742200632 /nfs/dbraw/zinc/20/06/32/742200632.db2.gz UNVLHSDGRKITBX-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040245570 742200634 /nfs/dbraw/zinc/20/06/34/742200634.db2.gz UNVLHSDGRKITBX-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040245570 742200637 /nfs/dbraw/zinc/20/06/37/742200637.db2.gz UNVLHSDGRKITBX-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C(C)C)C2 ZINC001040245570 742200639 /nfs/dbraw/zinc/20/06/39/742200639.db2.gz UNVLHSDGRKITBX-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810083 742415214 /nfs/dbraw/zinc/41/52/14/742415214.db2.gz DQWNRYHRDBSBGR-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810083 742415217 /nfs/dbraw/zinc/41/52/17/742415217.db2.gz DQWNRYHRDBSBGR-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810083 742415219 /nfs/dbraw/zinc/41/52/19/742415219.db2.gz DQWNRYHRDBSBGR-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181823227 743354290 /nfs/dbraw/zinc/35/42/90/743354290.db2.gz ZDVFBZCRGIQMEU-HZPDHXFCSA-N 2 1 311.470 1.478 20 30 DDEDMP CCCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181823227 743354299 /nfs/dbraw/zinc/35/42/99/743354299.db2.gz ZDVFBZCRGIQMEU-HZPDHXFCSA-N 2 1 311.470 1.478 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001183086190 743772265 /nfs/dbraw/zinc/77/22/65/743772265.db2.gz SBKMRLXASWSJJY-KRWDZBQOSA-N 2 1 314.433 1.424 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001183086190 743772267 /nfs/dbraw/zinc/77/22/67/743772267.db2.gz SBKMRLXASWSJJY-KRWDZBQOSA-N 2 1 314.433 1.424 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186974749 744480743 /nfs/dbraw/zinc/48/07/43/744480743.db2.gz CBTYBUIKSQWGLC-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186982162 744482551 /nfs/dbraw/zinc/48/25/51/744482551.db2.gz YHGWPQPQDOMYFN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034645 744496484 /nfs/dbraw/zinc/49/64/84/744496484.db2.gz KVVRGNZRPVAKJY-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992145825 744633760 /nfs/dbraw/zinc/63/37/60/744633760.db2.gz RARNUURDZVPOMG-AEFFLSMTSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992166068 744651465 /nfs/dbraw/zinc/65/14/65/744651465.db2.gz GGERFUSJMWIGEP-CRAIPNDOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992166068 744651466 /nfs/dbraw/zinc/65/14/66/744651466.db2.gz GGERFUSJMWIGEP-CRAIPNDOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992166068 744651467 /nfs/dbraw/zinc/65/14/67/744651467.db2.gz GGERFUSJMWIGEP-CRAIPNDOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992347366 744812459 /nfs/dbraw/zinc/81/24/59/744812459.db2.gz CNBLCAAGLQFKAI-HKUYNNGSSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992347366 744812462 /nfs/dbraw/zinc/81/24/62/744812462.db2.gz CNBLCAAGLQFKAI-HKUYNNGSSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC000992461519 744893353 /nfs/dbraw/zinc/89/33/53/744893353.db2.gz NVUIMCTYOCMCSV-NEWSRXKRSA-N 2 1 315.461 1.609 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@@]34CC[N@H+](C3)CCC4)CCC[C@@H]12 ZINC000992461519 744893357 /nfs/dbraw/zinc/89/33/57/744893357.db2.gz NVUIMCTYOCMCSV-NEWSRXKRSA-N 2 1 315.461 1.609 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)CCC[C@@H]12 ZINC000992461519 744893360 /nfs/dbraw/zinc/89/33/60/744893360.db2.gz NVUIMCTYOCMCSV-NEWSRXKRSA-N 2 1 315.461 1.609 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992497517 744919861 /nfs/dbraw/zinc/91/98/61/744919861.db2.gz PFNQGEOVKUQARL-BFYDXBDKSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992497517 744919865 /nfs/dbraw/zinc/91/98/65/744919865.db2.gz PFNQGEOVKUQARL-BFYDXBDKSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992497517 744919868 /nfs/dbraw/zinc/91/98/68/744919868.db2.gz PFNQGEOVKUQARL-BFYDXBDKSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992497517 744919871 /nfs/dbraw/zinc/91/98/71/744919871.db2.gz PFNQGEOVKUQARL-BFYDXBDKSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249583 745459033 /nfs/dbraw/zinc/45/90/33/745459033.db2.gz LGEMJIDPZXTWMH-RBSFLKMASA-N 2 1 302.422 1.631 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001106357841 745626434 /nfs/dbraw/zinc/62/64/34/745626434.db2.gz NZXBRJXBDAGPHK-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192425083 745780002 /nfs/dbraw/zinc/78/00/02/745780002.db2.gz FASSCCSJHPQSED-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193098870 745977380 /nfs/dbraw/zinc/97/73/80/745977380.db2.gz IQMSGPTXDBQGHM-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193098870 745977382 /nfs/dbraw/zinc/97/73/82/745977382.db2.gz IQMSGPTXDBQGHM-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993902734 746372688 /nfs/dbraw/zinc/37/26/88/746372688.db2.gz LHQNGLNMFFEBNO-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC000993902734 746372693 /nfs/dbraw/zinc/37/26/93/746372693.db2.gz LHQNGLNMFFEBNO-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC000993932906 746379691 /nfs/dbraw/zinc/37/96/91/746379691.db2.gz WPYTXBPFUMYWIV-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089491182 747088460 /nfs/dbraw/zinc/08/84/60/747088460.db2.gz JSIJPIOAEDGQOK-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089491182 747088465 /nfs/dbraw/zinc/08/84/65/747088465.db2.gz JSIJPIOAEDGQOK-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC(C)(C)C1 ZINC001089491182 747088473 /nfs/dbraw/zinc/08/84/73/747088473.db2.gz JSIJPIOAEDGQOK-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001089820110 747969592 /nfs/dbraw/zinc/96/95/92/747969592.db2.gz KRMVYQJKXAXMNT-QAETUUGQSA-N 2 1 317.477 1.826 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001200894706 748362351 /nfs/dbraw/zinc/36/23/51/748362351.db2.gz VNBNLXSPVYJCNH-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141602 748527986 /nfs/dbraw/zinc/52/79/86/748527986.db2.gz NQXOUXKZUFMGBV-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141602 748527991 /nfs/dbraw/zinc/52/79/91/748527991.db2.gz NQXOUXKZUFMGBV-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141602 748527998 /nfs/dbraw/zinc/52/79/98/748527998.db2.gz NQXOUXKZUFMGBV-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110673870 748883630 /nfs/dbraw/zinc/88/36/30/748883630.db2.gz WYBLFFMWRSDTGQ-ZACQAIPSSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673870 748883631 /nfs/dbraw/zinc/88/36/31/748883631.db2.gz WYBLFFMWRSDTGQ-ZACQAIPSSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110673870 748883632 /nfs/dbraw/zinc/88/36/32/748883632.db2.gz WYBLFFMWRSDTGQ-ZACQAIPSSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365306 749253336 /nfs/dbraw/zinc/25/33/36/749253336.db2.gz MDNIODLYLYGPLA-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365306 749253340 /nfs/dbraw/zinc/25/33/40/749253340.db2.gz MDNIODLYLYGPLA-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365306 749253344 /nfs/dbraw/zinc/25/33/44/749253344.db2.gz MDNIODLYLYGPLA-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365306 749253345 /nfs/dbraw/zinc/25/33/45/749253345.db2.gz MDNIODLYLYGPLA-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000876839360 749335618 /nfs/dbraw/zinc/33/56/18/749335618.db2.gz UTCUUERRXJGOGP-KBPBESRZSA-N 2 1 311.788 1.769 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472585 749417669 /nfs/dbraw/zinc/41/76/69/749417669.db2.gz YMNAXNHAPQMFSC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472585 749417670 /nfs/dbraw/zinc/41/76/70/749417670.db2.gz YMNAXNHAPQMFSC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472585 749417672 /nfs/dbraw/zinc/41/76/72/749417672.db2.gz YMNAXNHAPQMFSC-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCC)C2)CC1 ZINC001033686039 749716496 /nfs/dbraw/zinc/71/64/96/749716496.db2.gz YRYQNEPISFRYII-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001202765164 749724789 /nfs/dbraw/zinc/72/47/89/749724789.db2.gz ULJCJRXOZACIKQ-KRWDZBQOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436523 749954915 /nfs/dbraw/zinc/95/49/15/749954915.db2.gz BJSPFPFMOOBRIF-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033874572 750008340 /nfs/dbraw/zinc/00/83/40/750008340.db2.gz BFNJQVAHYZQNLX-HUUCEWRRSA-N 2 1 302.422 1.554 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000996803059 750135110 /nfs/dbraw/zinc/13/51/10/750135110.db2.gz BVJOKUOZXOBPJS-UHFFFAOYSA-N 2 1 302.422 1.529 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609453 750234347 /nfs/dbraw/zinc/23/43/47/750234347.db2.gz TUQGOZODFJYYLZ-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609453 750234351 /nfs/dbraw/zinc/23/43/51/750234351.db2.gz TUQGOZODFJYYLZ-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609453 750234357 /nfs/dbraw/zinc/23/43/57/750234357.db2.gz TUQGOZODFJYYLZ-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643691 750299000 /nfs/dbraw/zinc/29/90/00/750299000.db2.gz RVOWUWYQDHWDMT-IEBWSBKVSA-N 2 1 317.477 1.856 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111037301 750324125 /nfs/dbraw/zinc/32/41/25/750324125.db2.gz VOGXIHHJMSRDEZ-WCVJEAGWSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437994 750434991 /nfs/dbraw/zinc/43/49/91/750434991.db2.gz JYIVGMFYJZVQGS-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034437994 750434997 /nfs/dbraw/zinc/43/49/97/750434997.db2.gz JYIVGMFYJZVQGS-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463884 750442934 /nfs/dbraw/zinc/44/29/34/750442934.db2.gz WCYBQXVKNYONPC-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034488983 750495343 /nfs/dbraw/zinc/49/53/43/750495343.db2.gz ZAAMUBWROTWEPQ-CQSZACIVSA-N 2 1 311.857 1.805 20 30 DDEDMP C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034488983 750495344 /nfs/dbraw/zinc/49/53/44/750495344.db2.gz ZAAMUBWROTWEPQ-CQSZACIVSA-N 2 1 311.857 1.805 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399603 762060333 /nfs/dbraw/zinc/06/03/33/762060333.db2.gz SPSFCHHEWOASDG-QGZVFWFLSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399831 762062616 /nfs/dbraw/zinc/06/26/16/762062616.db2.gz XUXAPVQSWHXJEE-QGZVFWFLSA-N 2 1 309.454 1.256 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997730406 751240828 /nfs/dbraw/zinc/24/08/28/751240828.db2.gz YWWCOZVTZYJTHQ-BQFCYCMXSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000997724479 751240925 /nfs/dbraw/zinc/24/09/25/751240925.db2.gz OGEUTIOEFXOGAG-RDJZCZTQSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000997724479 751240927 /nfs/dbraw/zinc/24/09/27/751240927.db2.gz OGEUTIOEFXOGAG-RDJZCZTQSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108420278 762118893 /nfs/dbraw/zinc/11/88/93/762118893.db2.gz ZZZLKPALGGWGKF-SFHVURJKSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108420278 762118899 /nfs/dbraw/zinc/11/88/99/762118899.db2.gz ZZZLKPALGGWGKF-SFHVURJKSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001008284100 752652990 /nfs/dbraw/zinc/65/29/90/752652990.db2.gz XPVKVMZGAGVFBS-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001008284100 752652992 /nfs/dbraw/zinc/65/29/92/752652992.db2.gz XPVKVMZGAGVFBS-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284100 752652995 /nfs/dbraw/zinc/65/29/95/752652995.db2.gz XPVKVMZGAGVFBS-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001008284100 752652997 /nfs/dbraw/zinc/65/29/97/752652997.db2.gz XPVKVMZGAGVFBS-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008751354 752901448 /nfs/dbraw/zinc/90/14/48/752901448.db2.gz ZNOMWCVBYDIHKN-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008751354 752901452 /nfs/dbraw/zinc/90/14/52/752901452.db2.gz ZNOMWCVBYDIHKN-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCC=C)CC1 ZINC001000788157 762202255 /nfs/dbraw/zinc/20/22/55/762202255.db2.gz ODHXIWZZAIGEFL-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC=C)CC1 ZINC001000788157 762202260 /nfs/dbraw/zinc/20/22/60/762202260.db2.gz ODHXIWZZAIGEFL-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC=C)CC1 ZINC001000788157 762202264 /nfs/dbraw/zinc/20/22/64/762202264.db2.gz ODHXIWZZAIGEFL-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC=C)CC1 ZINC001000788157 762202271 /nfs/dbraw/zinc/20/22/71/762202271.db2.gz ODHXIWZZAIGEFL-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107998034 753402331 /nfs/dbraw/zinc/40/23/31/753402331.db2.gz HHCMRBUXGPPJDM-DOTOQJQBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001006001860 753486532 /nfs/dbraw/zinc/48/65/32/753486532.db2.gz SGJHKQFSWVNWPP-DOMZBBRYSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001006001860 753486535 /nfs/dbraw/zinc/48/65/35/753486535.db2.gz SGJHKQFSWVNWPP-DOMZBBRYSA-N 2 1 313.873 1.859 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001108006979 753493604 /nfs/dbraw/zinc/49/36/04/753493604.db2.gz IYWZORMPLQDYBW-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001108006979 753493609 /nfs/dbraw/zinc/49/36/09/753493609.db2.gz IYWZORMPLQDYBW-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006979 753493614 /nfs/dbraw/zinc/49/36/14/753493614.db2.gz IYWZORMPLQDYBW-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001108006979 753493618 /nfs/dbraw/zinc/49/36/18/753493618.db2.gz IYWZORMPLQDYBW-SJLPKXTDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006120739 753616122 /nfs/dbraw/zinc/61/61/22/753616122.db2.gz RDXMSRNRXWIZOE-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001000876490 762289688 /nfs/dbraw/zinc/28/96/88/762289688.db2.gz UJSMHWUGZSVQPO-UHFFFAOYSA-N 2 1 308.385 1.638 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)CC1 ZINC001080992529 756179208 /nfs/dbraw/zinc/17/92/08/756179208.db2.gz NXDVFLUTTCVDJL-SJLPKXTDSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC=C)C2 ZINC001040244066 762455810 /nfs/dbraw/zinc/45/58/10/762455810.db2.gz GVWWJDWWSCMILX-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC=C)C2 ZINC001040244066 762455813 /nfs/dbraw/zinc/45/58/13/762455813.db2.gz GVWWJDWWSCMILX-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C)C2 ZINC001040244066 762455815 /nfs/dbraw/zinc/45/58/15/762455815.db2.gz GVWWJDWWSCMILX-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CC=C)C2 ZINC001040244066 762455819 /nfs/dbraw/zinc/45/58/19/762455819.db2.gz GVWWJDWWSCMILX-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244245 762455936 /nfs/dbraw/zinc/45/59/36/762455936.db2.gz HYENBAIHYVEANP-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244245 762455937 /nfs/dbraw/zinc/45/59/37/762455937.db2.gz HYENBAIHYVEANP-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001040244245 762455940 /nfs/dbraw/zinc/45/59/40/762455940.db2.gz HYENBAIHYVEANP-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619716 756417920 /nfs/dbraw/zinc/41/79/20/756417920.db2.gz CJYGKSZBCKEBJP-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619716 756417923 /nfs/dbraw/zinc/41/79/23/756417923.db2.gz CJYGKSZBCKEBJP-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742675 756909694 /nfs/dbraw/zinc/90/96/94/756909694.db2.gz OIADVCUDSDTBEX-CPUCHLNUSA-N 2 1 309.429 1.269 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001084090640 757277857 /nfs/dbraw/zinc/27/78/57/757277857.db2.gz AAWYCFYRLQRPRR-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001089428 762542291 /nfs/dbraw/zinc/54/22/91/762542291.db2.gz NCJMZFFUDQIBES-MRXNPFEDSA-N 2 1 312.417 1.135 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001001089428 762542296 /nfs/dbraw/zinc/54/22/96/762542296.db2.gz NCJMZFFUDQIBES-MRXNPFEDSA-N 2 1 312.417 1.135 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001016830798 757390378 /nfs/dbraw/zinc/39/03/78/757390378.db2.gz VYVLJIASFLHXSP-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492974 762559609 /nfs/dbraw/zinc/55/96/09/762559609.db2.gz WNMOKDQMGJNYCH-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492974 762559614 /nfs/dbraw/zinc/55/96/14/762559614.db2.gz WNMOKDQMGJNYCH-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492974 762559619 /nfs/dbraw/zinc/55/96/19/762559619.db2.gz WNMOKDQMGJNYCH-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001084472530 757590385 /nfs/dbraw/zinc/59/03/85/757590385.db2.gz MMPKHWIXAYKXHD-CRAIPNDOSA-N 2 1 322.412 1.812 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701161 757791920 /nfs/dbraw/zinc/79/19/20/757791920.db2.gz RAIAPVSTAOBETB-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084701161 757791924 /nfs/dbraw/zinc/79/19/24/757791924.db2.gz RAIAPVSTAOBETB-KZNAEPCWSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084739088 757851677 /nfs/dbraw/zinc/85/16/77/757851677.db2.gz REOIDKHVIIANFP-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084739088 757851685 /nfs/dbraw/zinc/85/16/85/757851685.db2.gz REOIDKHVIIANFP-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040530937 762580810 /nfs/dbraw/zinc/58/08/10/762580810.db2.gz LMSDGNLCWOLHAL-GOSISDBHSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853219 757982618 /nfs/dbraw/zinc/98/26/18/757982618.db2.gz XAZCCRBJDYAGPJ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001084964685 758106039 /nfs/dbraw/zinc/10/60/39/758106039.db2.gz LHQIGAFXMZFOTD-IKGGRYGDSA-N 2 1 305.466 1.519 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085033197 758167453 /nfs/dbraw/zinc/16/74/53/758167453.db2.gz VMRJQCGKLOHNSL-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049212 758179029 /nfs/dbraw/zinc/17/90/29/758179029.db2.gz JMRVTZYGNAMVTM-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049212 758179031 /nfs/dbraw/zinc/17/90/31/758179031.db2.gz JMRVTZYGNAMVTM-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049212 758179033 /nfs/dbraw/zinc/17/90/33/758179033.db2.gz JMRVTZYGNAMVTM-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC001053306825 758360667 /nfs/dbraw/zinc/36/06/67/758360667.db2.gz XLFFHDZFISTAOV-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001018050944 758506442 /nfs/dbraw/zinc/50/64/42/758506442.db2.gz CCWFHRMMTIKZHI-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001018050944 758506449 /nfs/dbraw/zinc/50/64/49/758506449.db2.gz CCWFHRMMTIKZHI-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018050944 758506459 /nfs/dbraw/zinc/50/64/59/758506459.db2.gz CCWFHRMMTIKZHI-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001018050944 758506466 /nfs/dbraw/zinc/50/64/66/758506466.db2.gz CCWFHRMMTIKZHI-WNRNVDISSA-N 2 1 315.461 1.702 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054240057 759329759 /nfs/dbraw/zinc/32/97/59/759329759.db2.gz LCAAAEMCAPIOAN-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240057 759329768 /nfs/dbraw/zinc/32/97/68/759329768.db2.gz LCAAAEMCAPIOAN-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240057 759329779 /nfs/dbraw/zinc/32/97/79/759329779.db2.gz LCAAAEMCAPIOAN-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778771 760211445 /nfs/dbraw/zinc/21/14/45/760211445.db2.gz GZUCZNRYNBPCDO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778771 760211453 /nfs/dbraw/zinc/21/14/53/760211453.db2.gz GZUCZNRYNBPCDO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778771 760211460 /nfs/dbraw/zinc/21/14/60/760211460.db2.gz GZUCZNRYNBPCDO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917372 760526098 /nfs/dbraw/zinc/52/60/98/760526098.db2.gz XQAAFCZVLQIJNG-QGZVFWFLSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917372 760526103 /nfs/dbraw/zinc/52/61/03/760526103.db2.gz XQAAFCZVLQIJNG-QGZVFWFLSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984671 760663446 /nfs/dbraw/zinc/66/34/46/760663446.db2.gz KTYIDZFFURYTSR-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100023992 760818388 /nfs/dbraw/zinc/81/83/88/760818388.db2.gz CCYYTVARKXYDIQ-SJORKVTESA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(C)C)C2)CC1 ZINC001046853291 767986006 /nfs/dbraw/zinc/98/60/06/767986006.db2.gz WDROTWMUFTZLPQ-SFHVURJKSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001086365794 761496667 /nfs/dbraw/zinc/49/66/67/761496667.db2.gz DEABNVMHHJIPQW-LUKYLMHMSA-N 2 1 305.466 1.921 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001086370406 761502610 /nfs/dbraw/zinc/50/26/10/761502610.db2.gz FIWLYTHNYBTOAR-ZQDZILKHSA-N 2 1 313.873 1.954 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001041168600 762853606 /nfs/dbraw/zinc/85/36/06/762853606.db2.gz WQSUNEFTIHDNJQ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001041168600 762853611 /nfs/dbraw/zinc/85/36/11/762853611.db2.gz WQSUNEFTIHDNJQ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041168600 762853618 /nfs/dbraw/zinc/85/36/18/762853618.db2.gz WQSUNEFTIHDNJQ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001041168600 762853625 /nfs/dbraw/zinc/85/36/25/762853625.db2.gz WQSUNEFTIHDNJQ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001475928 762898347 /nfs/dbraw/zinc/89/83/47/762898347.db2.gz HCRMQMUDUVMURL-GOSISDBHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041274755 762926219 /nfs/dbraw/zinc/92/62/19/762926219.db2.gz BGJOJKJBIGCUOK-FUHWJXTLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274755 762926225 /nfs/dbraw/zinc/92/62/25/762926225.db2.gz BGJOJKJBIGCUOK-FUHWJXTLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274755 762926229 /nfs/dbraw/zinc/92/62/29/762926229.db2.gz BGJOJKJBIGCUOK-FUHWJXTLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041302403 762945931 /nfs/dbraw/zinc/94/59/31/762945931.db2.gz WIRQJRQDCFIEJT-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041302403 762945935 /nfs/dbraw/zinc/94/59/35/762945935.db2.gz WIRQJRQDCFIEJT-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041302403 762945939 /nfs/dbraw/zinc/94/59/39/762945939.db2.gz WIRQJRQDCFIEJT-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050104546 763140782 /nfs/dbraw/zinc/14/07/82/763140782.db2.gz VNWSQHIWGZJGKF-RCCFBDPRSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041844656 763401535 /nfs/dbraw/zinc/40/15/35/763401535.db2.gz CCYHWFHBUUCWRH-IEBWSBKVSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156055 763720729 /nfs/dbraw/zinc/72/07/29/763720729.db2.gz GJCOKSHZOXLMCC-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156055 763720737 /nfs/dbraw/zinc/72/07/37/763720737.db2.gz GJCOKSHZOXLMCC-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050764714 764020234 /nfs/dbraw/zinc/02/02/34/764020234.db2.gz FRPLGWMEMIZRQG-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C2 ZINC001109857994 764138750 /nfs/dbraw/zinc/13/87/50/764138750.db2.gz NUPCSTPYJZJDAD-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCCCCC)C2 ZINC001109857994 764138755 /nfs/dbraw/zinc/13/87/55/764138755.db2.gz NUPCSTPYJZJDAD-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857994 764138758 /nfs/dbraw/zinc/13/87/58/764138758.db2.gz NUPCSTPYJZJDAD-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCCCCC)C2 ZINC001109857994 764138763 /nfs/dbraw/zinc/13/87/63/764138763.db2.gz NUPCSTPYJZJDAD-IKGGRYGDSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100140821 764380944 /nfs/dbraw/zinc/38/09/44/764380944.db2.gz DLXSSFYKAJFCNH-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704732 768273896 /nfs/dbraw/zinc/27/38/96/768273896.db2.gz ZVOUEAZSQUOOSH-FUHWJXTLSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704732 768273899 /nfs/dbraw/zinc/27/38/99/768273899.db2.gz ZVOUEAZSQUOOSH-FUHWJXTLSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704732 768273904 /nfs/dbraw/zinc/27/39/04/768273904.db2.gz ZVOUEAZSQUOOSH-FUHWJXTLSA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052387064 765781394 /nfs/dbraw/zinc/78/13/94/765781394.db2.gz WSCRPVNRKYXYIL-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001086624001 766950919 /nfs/dbraw/zinc/95/09/19/766950919.db2.gz ISQBGPRHUUDRJC-ZWKOTPCHSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318503 767417395 /nfs/dbraw/zinc/41/73/95/767417395.db2.gz MENIYCDJCOBIDY-QFBILLFUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046318503 767417401 /nfs/dbraw/zinc/41/74/01/767417401.db2.gz MENIYCDJCOBIDY-QFBILLFUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046318503 767417406 /nfs/dbraw/zinc/41/74/06/767417406.db2.gz MENIYCDJCOBIDY-QFBILLFUSA-N 2 1 317.477 1.855 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001130298266 767418831 /nfs/dbraw/zinc/41/88/31/767418831.db2.gz ZXNOUEBLSRQTBK-MRXNPFEDSA-N 2 1 300.406 1.248 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001130298251 767419042 /nfs/dbraw/zinc/41/90/42/767419042.db2.gz ZOFWOCHDUGZCFM-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046566811 767694283 /nfs/dbraw/zinc/69/42/83/767694283.db2.gz CWJZBZIHRVBWJH-NVXWUHKLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046566811 767694285 /nfs/dbraw/zinc/69/42/85/767694285.db2.gz CWJZBZIHRVBWJH-NVXWUHKLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566811 767694288 /nfs/dbraw/zinc/69/42/88/767694288.db2.gz CWJZBZIHRVBWJH-NVXWUHKLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046566811 767694292 /nfs/dbraw/zinc/69/42/92/767694292.db2.gz CWJZBZIHRVBWJH-NVXWUHKLSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046576252 767704786 /nfs/dbraw/zinc/70/47/86/767704786.db2.gz RWUWBKPGTRQYOU-QAPCUYQASA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046576252 767704792 /nfs/dbraw/zinc/70/47/92/767704792.db2.gz RWUWBKPGTRQYOU-QAPCUYQASA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)CC[C@H]1C ZINC001132265157 768718760 /nfs/dbraw/zinc/71/87/60/768718760.db2.gz IQSBNVMFRRJIIA-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132270314 768723796 /nfs/dbraw/zinc/72/37/96/768723796.db2.gz SDNXCNXRHKUKIO-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)CC[C@@H]1C ZINC001132409829 768820019 /nfs/dbraw/zinc/82/00/19/768820019.db2.gz FRTLBDQTQDSAPD-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409829 768820025 /nfs/dbraw/zinc/82/00/25/768820025.db2.gz FRTLBDQTQDSAPD-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)CC[C@@H]1C ZINC001132409829 768820037 /nfs/dbraw/zinc/82/00/37/768820037.db2.gz FRTLBDQTQDSAPD-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071191131 769116824 /nfs/dbraw/zinc/11/68/24/769116824.db2.gz AWLHLAVUOHOSCI-RDJZCZTQSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1c[nH+]cc1C)C[C@H](C)O2 ZINC001071191131 769116828 /nfs/dbraw/zinc/11/68/28/769116828.db2.gz AWLHLAVUOHOSCI-RDJZCZTQSA-N 2 1 318.421 1.069 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132853271 769265739 /nfs/dbraw/zinc/26/57/39/769265739.db2.gz YXMBNGXMXYIYAL-MRXNPFEDSA-N 2 1 313.486 1.772 20 30 DDEDMP C#CCN1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@@H]1C ZINC001071775894 770046552 /nfs/dbraw/zinc/04/65/52/770046552.db2.gz JOIDKPAEFNWIOF-ZFWWWQNUSA-N 2 1 303.406 1.557 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048913037 770100481 /nfs/dbraw/zinc/10/04/81/770100481.db2.gz VBWRGEMBCITRRK-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048913037 770100488 /nfs/dbraw/zinc/10/04/88/770100488.db2.gz VBWRGEMBCITRRK-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048913037 770100493 /nfs/dbraw/zinc/10/04/93/770100493.db2.gz VBWRGEMBCITRRK-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048914135 770102180 /nfs/dbraw/zinc/10/21/80/770102180.db2.gz PAVNDRUGTSMROV-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914135 770102181 /nfs/dbraw/zinc/10/21/81/770102181.db2.gz PAVNDRUGTSMROV-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914135 770102184 /nfs/dbraw/zinc/10/21/84/770102184.db2.gz PAVNDRUGTSMROV-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001049526502 770977887 /nfs/dbraw/zinc/97/78/87/770977887.db2.gz VFLDTQBYFOCKNU-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526502 770977893 /nfs/dbraw/zinc/97/78/93/770977893.db2.gz VFLDTQBYFOCKNU-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001049526502 770977899 /nfs/dbraw/zinc/97/78/99/770977899.db2.gz VFLDTQBYFOCKNU-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@@H]1C ZINC001049725658 771116353 /nfs/dbraw/zinc/11/63/53/771116353.db2.gz YSMZSEIJMAXYFY-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001049725658 771116354 /nfs/dbraw/zinc/11/63/54/771116354.db2.gz YSMZSEIJMAXYFY-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@@H]1C ZINC001049725658 771116355 /nfs/dbraw/zinc/11/63/55/771116355.db2.gz YSMZSEIJMAXYFY-GVDBMIGSSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001049994924 771349815 /nfs/dbraw/zinc/34/98/15/771349815.db2.gz BWMGHJYSWMJIDO-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001049994924 771349818 /nfs/dbraw/zinc/34/98/18/771349818.db2.gz BWMGHJYSWMJIDO-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001049994924 771349821 /nfs/dbraw/zinc/34/98/21/771349821.db2.gz BWMGHJYSWMJIDO-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135690404 771656033 /nfs/dbraw/zinc/65/60/33/771656033.db2.gz HCJRSCMITKFSPB-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073605559 773206643 /nfs/dbraw/zinc/20/66/43/773206643.db2.gz NLPBPKYSAGCOPC-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605559 773206646 /nfs/dbraw/zinc/20/66/46/773206646.db2.gz NLPBPKYSAGCOPC-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073605559 773206648 /nfs/dbraw/zinc/20/66/48/773206648.db2.gz NLPBPKYSAGCOPC-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001147878209 773284179 /nfs/dbraw/zinc/28/41/79/773284179.db2.gz VBWKEYZRRMHOGC-CQSZACIVSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001148286311 773433603 /nfs/dbraw/zinc/43/36/03/773433603.db2.gz WFXDKKPPCKZQQP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148286311 773433607 /nfs/dbraw/zinc/43/36/07/773433607.db2.gz WFXDKKPPCKZQQP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001148286311 773433611 /nfs/dbraw/zinc/43/36/11/773433611.db2.gz WFXDKKPPCKZQQP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899545 773510025 /nfs/dbraw/zinc/51/00/25/773510025.db2.gz WOMRPKZFQLJDMZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899545 773510030 /nfs/dbraw/zinc/51/00/30/773510030.db2.gz WOMRPKZFQLJDMZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899545 773510036 /nfs/dbraw/zinc/51/00/36/773510036.db2.gz WOMRPKZFQLJDMZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956794 773744476 /nfs/dbraw/zinc/74/44/76/773744476.db2.gz XRUUQYRNENRECQ-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@]2(C)C1 ZINC001091944130 773883997 /nfs/dbraw/zinc/88/39/97/773883997.db2.gz QIWSTCPBABGQFQ-LMMKCTJWSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091944130 773884001 /nfs/dbraw/zinc/88/40/01/773884001.db2.gz QIWSTCPBABGQFQ-LMMKCTJWSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@]2(C)C1 ZINC001091944130 773884006 /nfs/dbraw/zinc/88/40/06/773884006.db2.gz QIWSTCPBABGQFQ-LMMKCTJWSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272984 774038694 /nfs/dbraw/zinc/03/86/94/774038694.db2.gz KMPYNEUJKJTHKT-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272984 774038698 /nfs/dbraw/zinc/03/86/98/774038698.db2.gz KMPYNEUJKJTHKT-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272984 774038705 /nfs/dbraw/zinc/03/87/05/774038705.db2.gz KMPYNEUJKJTHKT-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001092602525 774185421 /nfs/dbraw/zinc/18/54/21/774185421.db2.gz BAVDGFTUWUEQGB-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001092602525 774185424 /nfs/dbraw/zinc/18/54/24/774185424.db2.gz BAVDGFTUWUEQGB-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001092602525 774185426 /nfs/dbraw/zinc/18/54/26/774185426.db2.gz BAVDGFTUWUEQGB-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](C)C1 ZINC001092676604 774214936 /nfs/dbraw/zinc/21/49/36/774214936.db2.gz FOBRUBIURQTSJH-NUJGCVRESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676604 774214940 /nfs/dbraw/zinc/21/49/40/774214940.db2.gz FOBRUBIURQTSJH-NUJGCVRESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](C)C1 ZINC001092676604 774214941 /nfs/dbraw/zinc/21/49/41/774214941.db2.gz FOBRUBIURQTSJH-NUJGCVRESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092763516 774253944 /nfs/dbraw/zinc/25/39/44/774253944.db2.gz WAVYYOFGEUGQEZ-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092763516 774253948 /nfs/dbraw/zinc/25/39/48/774253948.db2.gz WAVYYOFGEUGQEZ-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092763516 774253951 /nfs/dbraw/zinc/25/39/51/774253951.db2.gz WAVYYOFGEUGQEZ-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092907130 774314376 /nfs/dbraw/zinc/31/43/76/774314376.db2.gz UGWMCQHOJBITTN-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907130 774314382 /nfs/dbraw/zinc/31/43/82/774314382.db2.gz UGWMCQHOJBITTN-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092907130 774314386 /nfs/dbraw/zinc/31/43/86/774314386.db2.gz UGWMCQHOJBITTN-IXDOHACOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036774108 774569701 /nfs/dbraw/zinc/56/97/01/774569701.db2.gz ZGEZQRRGUSRTME-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036774108 774569704 /nfs/dbraw/zinc/56/97/04/774569704.db2.gz ZGEZQRRGUSRTME-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794569 774642803 /nfs/dbraw/zinc/64/28/03/774642803.db2.gz XRCJQADRJBVXNR-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098834697 774689999 /nfs/dbraw/zinc/68/99/99/774689999.db2.gz AUXATRUNTRJXCP-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098834697 774690003 /nfs/dbraw/zinc/69/00/03/774690003.db2.gz AUXATRUNTRJXCP-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098834697 774690005 /nfs/dbraw/zinc/69/00/05/774690005.db2.gz AUXATRUNTRJXCP-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099341564 774952521 /nfs/dbraw/zinc/95/25/21/774952521.db2.gz JTPMBAMMSSGVAZ-JHJVBQTASA-N 2 1 319.371 1.493 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001099496043 775008341 /nfs/dbraw/zinc/00/83/41/775008341.db2.gz HXFRRAWBODSGSD-QAETUUGQSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001099496043 775008348 /nfs/dbraw/zinc/00/83/48/775008348.db2.gz HXFRRAWBODSGSD-QAETUUGQSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001099496043 775008355 /nfs/dbraw/zinc/00/83/55/775008355.db2.gz HXFRRAWBODSGSD-QAETUUGQSA-N 2 1 317.477 1.519 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036871477 775009977 /nfs/dbraw/zinc/00/99/77/775009977.db2.gz MHPHMQSZYMRSIN-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001094379775 775826467 /nfs/dbraw/zinc/82/64/67/775826467.db2.gz ADQDGKHATXLYHJ-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094379775 775826473 /nfs/dbraw/zinc/82/64/73/775826473.db2.gz ADQDGKHATXLYHJ-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001094379775 775826476 /nfs/dbraw/zinc/82/64/76/775826476.db2.gz ADQDGKHATXLYHJ-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438143 776156178 /nfs/dbraw/zinc/15/61/78/776156178.db2.gz QUSXNIZOCHOKOM-PRLABOORSA-N 2 1 309.454 1.156 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438143 776156181 /nfs/dbraw/zinc/15/61/81/776156181.db2.gz QUSXNIZOCHOKOM-PRLABOORSA-N 2 1 309.454 1.156 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001101522395 777206607 /nfs/dbraw/zinc/20/66/07/777206607.db2.gz YLFSMJVOUDXGOD-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001176072289 778013047 /nfs/dbraw/zinc/01/30/47/778013047.db2.gz NZXNJNOSMIYXQH-INIZCTEOSA-N 2 1 300.406 1.106 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177124774 778438069 /nfs/dbraw/zinc/43/80/69/778438069.db2.gz LHLHITCMBXJSRH-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124774 778438070 /nfs/dbraw/zinc/43/80/70/778438070.db2.gz LHLHITCMBXJSRH-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124774 778438073 /nfs/dbraw/zinc/43/80/73/778438073.db2.gz LHLHITCMBXJSRH-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124774 778438075 /nfs/dbraw/zinc/43/80/75/778438075.db2.gz LHLHITCMBXJSRH-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177087464 778439828 /nfs/dbraw/zinc/43/98/28/778439828.db2.gz DLSFTTDQBILFOJ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177087464 778439833 /nfs/dbraw/zinc/43/98/33/778439833.db2.gz DLSFTTDQBILFOJ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103085497 778629395 /nfs/dbraw/zinc/62/93/95/778629395.db2.gz YPINVMABPLQBPY-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103085497 778629401 /nfs/dbraw/zinc/62/94/01/778629401.db2.gz YPINVMABPLQBPY-BZUAXINKSA-N 2 1 314.433 1.468 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178889983 779211319 /nfs/dbraw/zinc/21/13/19/779211319.db2.gz DIGJKBTWOSWTFL-ULQDDVLXSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179632739 779443025 /nfs/dbraw/zinc/44/30/25/779443025.db2.gz DTKLXWRTJGEAJP-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001179799459 779490015 /nfs/dbraw/zinc/49/00/15/779490015.db2.gz PHYVBZAADFCTNW-YOEHRIQHSA-N 2 1 323.400 1.483 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905476 779550843 /nfs/dbraw/zinc/55/08/43/779550843.db2.gz DNSLUGMFDPLEIN-WMZOPIPTSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111905476 779550848 /nfs/dbraw/zinc/55/08/48/779550848.db2.gz DNSLUGMFDPLEIN-WMZOPIPTSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112124169 779630120 /nfs/dbraw/zinc/63/01/20/779630120.db2.gz ANGZMNAAIHHFKP-VXGBXAGGSA-N 2 1 321.387 1.882 20 30 DDEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450984 780143901 /nfs/dbraw/zinc/14/39/01/780143901.db2.gz WLSLRKDBTAEQCW-MRXNPFEDSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001119354653 781417681 /nfs/dbraw/zinc/41/76/81/781417681.db2.gz FSWJOXYRBIIIBF-INIZCTEOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001119354653 781417685 /nfs/dbraw/zinc/41/76/85/781417685.db2.gz FSWJOXYRBIIIBF-INIZCTEOSA-N 2 1 306.454 1.115 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001267265548 837700075 /nfs/dbraw/zinc/70/00/75/837700075.db2.gz PZBDJQFHYNCBBC-DLBZAZTESA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001267265548 837700079 /nfs/dbraw/zinc/70/00/79/837700079.db2.gz PZBDJQFHYNCBBC-DLBZAZTESA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001267265548 837700088 /nfs/dbraw/zinc/70/00/88/837700088.db2.gz PZBDJQFHYNCBBC-DLBZAZTESA-N 2 1 307.482 1.957 20 30 DDEDMP CCC[NH+](CC#CCOC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267320782 837821248 /nfs/dbraw/zinc/82/12/48/837821248.db2.gz VXBAEMRPPYSDNX-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266321648 836117781 /nfs/dbraw/zinc/11/77/81/836117781.db2.gz SWPATSKMSUZRMH-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001266321648 836117787 /nfs/dbraw/zinc/11/77/87/836117787.db2.gz SWPATSKMSUZRMH-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C=CCOCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001266916015 837052588 /nfs/dbraw/zinc/05/25/88/837052588.db2.gz JNBAWXVNVFVXLB-QQFBHYJXSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH+]1CCC(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001267948279 839242707 /nfs/dbraw/zinc/24/27/07/839242707.db2.gz XUIBLHRPQZNKCA-UHFFFAOYSA-N 2 1 323.481 1.503 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001272053842 844463133 /nfs/dbraw/zinc/46/31/33/844463133.db2.gz QCZHFHLEJSROPN-MSOLQXFVSA-N 2 1 317.477 1.951 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCOCC1 ZINC001268193237 839818769 /nfs/dbraw/zinc/81/87/69/839818769.db2.gz VAOJHUWOBFTTFM-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001269130778 841247375 /nfs/dbraw/zinc/24/73/75/841247375.db2.gz WRPPFEMIAQVLOK-INIZCTEOSA-N 2 1 311.389 1.551 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2ccnc2CC)C1 ZINC001269245513 841413554 /nfs/dbraw/zinc/41/35/54/841413554.db2.gz IQOXYPVVLCHXKC-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001269245513 841413562 /nfs/dbraw/zinc/41/35/62/841413562.db2.gz IQOXYPVVLCHXKC-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001269245513 841413566 /nfs/dbraw/zinc/41/35/66/841413566.db2.gz IQOXYPVVLCHXKC-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CC1 ZINC001269429075 841634115 /nfs/dbraw/zinc/63/41/15/841634115.db2.gz ZPNBQLDQFRAKCF-KRWDZBQOSA-N 2 1 315.461 1.823 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CC1 ZINC001269429075 841634122 /nfs/dbraw/zinc/63/41/22/841634122.db2.gz ZPNBQLDQFRAKCF-KRWDZBQOSA-N 2 1 315.461 1.823 20 30 DDEDMP C=CC[N@@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001269649207 841897239 /nfs/dbraw/zinc/89/72/39/841897239.db2.gz AYSCEWKOYXUDRI-UHFFFAOYSA-N 2 1 320.437 1.317 20 30 DDEDMP C=CC[N@H+](CCOC)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001269649207 841897255 /nfs/dbraw/zinc/89/72/55/841897255.db2.gz AYSCEWKOYXUDRI-UHFFFAOYSA-N 2 1 320.437 1.317 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCCC ZINC001270222540 842398851 /nfs/dbraw/zinc/39/88/51/842398851.db2.gz YVKKVYZIABEKAH-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCCC ZINC001270222540 842398862 /nfs/dbraw/zinc/39/88/62/842398862.db2.gz YVKKVYZIABEKAH-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001270779153 842895838 /nfs/dbraw/zinc/89/58/38/842895838.db2.gz LWQGCBWXRCYOKJ-PKOBYXMFSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001270779152 842896534 /nfs/dbraw/zinc/89/65/34/842896534.db2.gz LWQGCBWXRCYOKJ-MJGOQNOKSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001326666442 861524294 /nfs/dbraw/zinc/52/42/94/861524294.db2.gz DNPQSOHUKMBGBE-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001326666442 861524303 /nfs/dbraw/zinc/52/43/03/861524303.db2.gz DNPQSOHUKMBGBE-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001326666442 861524315 /nfs/dbraw/zinc/52/43/15/861524315.db2.gz DNPQSOHUKMBGBE-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001326666442 861524323 /nfs/dbraw/zinc/52/43/23/861524323.db2.gz DNPQSOHUKMBGBE-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326977967 861768202 /nfs/dbraw/zinc/76/82/02/861768202.db2.gz JXGBPGDVTZEYQY-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCO1 ZINC001326980500 861769674 /nfs/dbraw/zinc/76/96/74/861769674.db2.gz UUNDPYCKENLZSS-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001272871827 847573254 /nfs/dbraw/zinc/57/32/54/847573254.db2.gz YPXNBPLSNPABCS-GOSISDBHSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001272871827 847573259 /nfs/dbraw/zinc/57/32/59/847573259.db2.gz YPXNBPLSNPABCS-GOSISDBHSA-N 2 1 323.481 1.311 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001273204214 848729454 /nfs/dbraw/zinc/72/94/54/848729454.db2.gz KLAOHWPFHXOGPZ-HNNXBMFYSA-N 2 1 316.449 1.883 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001410254327 848964684 /nfs/dbraw/zinc/96/46/84/848964684.db2.gz KNQUFGDUSUAUCZ-KGLIPLIRSA-N 2 1 301.862 1.954 20 30 DDEDMP C=C(C)CNC(=O)[C@@H]1CC12CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001273828105 851389088 /nfs/dbraw/zinc/38/90/88/851389088.db2.gz YRTYMIBRYMWKSK-INIZCTEOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001273877569 851454773 /nfs/dbraw/zinc/45/47/73/851454773.db2.gz WYMOIWWPEAJDAF-AEFFLSMTSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001273930365 851520008 /nfs/dbraw/zinc/52/00/08/851520008.db2.gz RXWPAMSCAAICOT-KRWDZBQOSA-N 2 1 311.470 1.238 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150480883 862261605 /nfs/dbraw/zinc/26/16/05/862261605.db2.gz RMSKHNVMYKDQHT-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCN1CCC2(CC[NH+](Cc3cccc4c[nH+]cn43)CC2)C1=O ZINC001274110645 851936772 /nfs/dbraw/zinc/93/67/72/851936772.db2.gz LNXZNUTXLQMQNK-UHFFFAOYSA-N 2 1 322.412 1.782 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001275120628 852820640 /nfs/dbraw/zinc/82/06/40/852820640.db2.gz GOSBWUUBIZKAEL-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001275120628 852820649 /nfs/dbraw/zinc/82/06/49/852820649.db2.gz GOSBWUUBIZKAEL-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001275120628 852820654 /nfs/dbraw/zinc/82/06/54/852820654.db2.gz GOSBWUUBIZKAEL-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001150819159 862481622 /nfs/dbraw/zinc/48/16/22/862481622.db2.gz YJBXXNNMHNJYQZ-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001275851375 853870613 /nfs/dbraw/zinc/87/06/13/853870613.db2.gz VXJPVNTZSYGIMU-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001275851375 853870621 /nfs/dbraw/zinc/87/06/21/853870621.db2.gz VXJPVNTZSYGIMU-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCCCC1 ZINC001276231405 855018004 /nfs/dbraw/zinc/01/80/04/855018004.db2.gz OMUXBOKCFHHRTJ-UHFFFAOYSA-N 2 1 321.465 1.141 20 30 DDEDMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001276290708 855093097 /nfs/dbraw/zinc/09/30/97/855093097.db2.gz SICOACZILDZHCK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001276290708 855093100 /nfs/dbraw/zinc/09/31/00/855093100.db2.gz SICOACZILDZHCK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276290708 855093101 /nfs/dbraw/zinc/09/31/01/855093101.db2.gz SICOACZILDZHCK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001276290708 855093105 /nfs/dbraw/zinc/09/31/05/855093105.db2.gz SICOACZILDZHCK-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049567568 856987841 /nfs/dbraw/zinc/98/78/41/856987841.db2.gz MQUVCTTWXHFYPP-IAGOWNOFSA-N 2 1 315.461 1.703 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732494 857648450 /nfs/dbraw/zinc/64/84/50/857648450.db2.gz MMPMULCZRVYKSZ-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732494 857648457 /nfs/dbraw/zinc/64/84/57/857648457.db2.gz MMPMULCZRVYKSZ-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732494 857648466 /nfs/dbraw/zinc/64/84/66/857648466.db2.gz MMPMULCZRVYKSZ-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001072813335 857741290 /nfs/dbraw/zinc/74/12/90/857741290.db2.gz NPZBYUXLOISPOW-KRWDZBQOSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)CC)C2 ZINC001072822456 857758955 /nfs/dbraw/zinc/75/89/55/857758955.db2.gz HLZKFFJVGZOUKX-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001072822456 857758958 /nfs/dbraw/zinc/75/89/58/857758958.db2.gz HLZKFFJVGZOUKX-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)C2 ZINC001072822456 857758961 /nfs/dbraw/zinc/75/89/61/857758961.db2.gz HLZKFFJVGZOUKX-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)CC)C2 ZINC001072822456 857758963 /nfs/dbraw/zinc/75/89/63/857758963.db2.gz HLZKFFJVGZOUKX-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599585 858473031 /nfs/dbraw/zinc/47/30/31/858473031.db2.gz INMDEXFFIBCVBI-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599585 858473036 /nfs/dbraw/zinc/47/30/36/858473036.db2.gz INMDEXFFIBCVBI-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599585 858473040 /nfs/dbraw/zinc/47/30/40/858473040.db2.gz INMDEXFFIBCVBI-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC001121903006 858626808 /nfs/dbraw/zinc/62/68/08/858626808.db2.gz ADFMOGKJDZKMMK-MRXNPFEDSA-N 2 1 313.445 1.900 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001152149644 863191729 /nfs/dbraw/zinc/19/17/29/863191729.db2.gz ZZQWOOBAOGQVLM-GASCZTMLSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001330399594 864307839 /nfs/dbraw/zinc/30/78/39/864307839.db2.gz AMYLZHCHYHXQJF-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112729 864417089 /nfs/dbraw/zinc/41/70/89/864417089.db2.gz OOBNMPLIZVQOIS-CYBMUJFWSA-N 2 1 308.426 1.753 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001154112729 864417097 /nfs/dbraw/zinc/41/70/97/864417097.db2.gz OOBNMPLIZVQOIS-CYBMUJFWSA-N 2 1 308.426 1.753 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001330935847 864717264 /nfs/dbraw/zinc/71/72/64/864717264.db2.gz SIVIQGFNSZAZLW-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001330935847 864717270 /nfs/dbraw/zinc/71/72/70/864717270.db2.gz SIVIQGFNSZAZLW-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001330935847 864717278 /nfs/dbraw/zinc/71/72/78/864717278.db2.gz SIVIQGFNSZAZLW-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC001330935847 864717284 /nfs/dbraw/zinc/71/72/84/864717284.db2.gz SIVIQGFNSZAZLW-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCc2nccn2C1)CCOC ZINC001332914085 866249959 /nfs/dbraw/zinc/24/99/59/866249959.db2.gz OOWKQLLTNILTGW-OAHLLOKOSA-N 2 1 320.437 1.086 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC001320007982 866428048 /nfs/dbraw/zinc/42/80/48/866428048.db2.gz ZCYKZAHHIFMWDZ-UHFFFAOYSA-N 2 1 307.463 1.837 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001323637071 866738105 /nfs/dbraw/zinc/73/81/05/866738105.db2.gz JAYNSVCDAHFJNS-QGZVFWFLSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323637071 866738118 /nfs/dbraw/zinc/73/81/18/866738118.db2.gz JAYNSVCDAHFJNS-QGZVFWFLSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323637071 866738127 /nfs/dbraw/zinc/73/81/27/866738127.db2.gz JAYNSVCDAHFJNS-QGZVFWFLSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551611 866760716 /nfs/dbraw/zinc/76/07/16/866760716.db2.gz JRSJUPQAAISIPB-CYBMUJFWSA-N 2 1 308.426 1.800 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001320614284 866887739 /nfs/dbraw/zinc/88/77/39/866887739.db2.gz KNIGPCNJSJYWSW-KRWDZBQOSA-N 2 1 315.461 1.864 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001324160604 867111777 /nfs/dbraw/zinc/11/17/77/867111777.db2.gz BDHSEQWPDHELBK-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001321391555 867557016 /nfs/dbraw/zinc/55/70/16/867557016.db2.gz GLWQRAMXXXTWBS-RCAFFNEUSA-N 2 1 312.417 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001324894085 867609995 /nfs/dbraw/zinc/60/99/95/867609995.db2.gz ZSGSNJLHFYFQIV-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162604577 867672778 /nfs/dbraw/zinc/67/27/78/867672778.db2.gz YLWIOPRCLGBDFB-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001334851870 867867334 /nfs/dbraw/zinc/86/73/34/867867334.db2.gz GMNFPBFIBSSMHD-UHFFFAOYSA-N 2 1 312.377 1.344 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NCc1nnn2c1C[NH2+]CCC2 ZINC001162972889 867961792 /nfs/dbraw/zinc/96/17/92/867961792.db2.gz KMVXMUMQLJQXIM-UHFFFAOYSA-N 2 1 324.392 1.314 20 30 DDEDMP C#CCOCC[N@@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC001322060142 867962322 /nfs/dbraw/zinc/96/23/22/867962322.db2.gz MVNSKVPLQMKMGX-UHFFFAOYSA-N 2 1 315.461 1.780 20 30 DDEDMP C#CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001322307067 868106575 /nfs/dbraw/zinc/10/65/75/868106575.db2.gz OKGUZXUJRNZPMR-AWEZNQCLSA-N 2 1 305.422 1.805 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164583263 869306051 /nfs/dbraw/zinc/30/60/51/869306051.db2.gz VYFYGFAKCLNBRT-JKSUJKDBSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C1CC1 ZINC001317029640 870136695 /nfs/dbraw/zinc/13/66/95/870136695.db2.gz JDTHDDJSQRNCMR-QZTJIDSGSA-N 2 1 313.445 1.797 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001166708081 870181375 /nfs/dbraw/zinc/18/13/75/870181375.db2.gz MAWKZSMIJAWNMI-PBHICJAKSA-N 2 1 314.433 1.352 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001317086118 870225552 /nfs/dbraw/zinc/22/55/52/870225552.db2.gz DNFOYRKMIRKFLP-HDJSIYSDSA-N 2 1 318.421 1.697 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203910181 870829612 /nfs/dbraw/zinc/82/96/12/870829612.db2.gz DMHJNEIBIJMOSK-SFHVURJKSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[NH2+]C[C@@](C)(NC(=O)CCCn1cc[nH+]c1C)C1CC1 ZINC001318727569 872231994 /nfs/dbraw/zinc/23/19/94/872231994.db2.gz JMXLHWIAFBEZIL-QGZVFWFLSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001318744015 872240340 /nfs/dbraw/zinc/24/03/40/872240340.db2.gz IZCXELZSFIWIKL-YJBOKZPZSA-N 2 1 316.449 1.870 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(=C)C)C1CC1 ZINC001316918750 872365896 /nfs/dbraw/zinc/36/58/96/872365896.db2.gz DCFOIYOEKIDAOR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(=C)C)C1CC1 ZINC001316918750 872365913 /nfs/dbraw/zinc/36/59/13/872365913.db2.gz DCFOIYOEKIDAOR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=C)C)C1CC1 ZINC001316918750 872365930 /nfs/dbraw/zinc/36/59/30/872365930.db2.gz DCFOIYOEKIDAOR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=C)C)C1CC1 ZINC001316918750 872365946 /nfs/dbraw/zinc/36/59/46/872365946.db2.gz DCFOIYOEKIDAOR-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP CC#CC[NH+]1CCC(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001319031323 872406833 /nfs/dbraw/zinc/40/68/33/872406833.db2.gz GOKDDYFWCVFECP-MRXNPFEDSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001206970022 872865539 /nfs/dbraw/zinc/86/55/39/872865539.db2.gz XYIBCVBQQRLAQB-UHFFFAOYSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001206970022 872865549 /nfs/dbraw/zinc/86/55/49/872865549.db2.gz XYIBCVBQQRLAQB-UHFFFAOYSA-N 2 1 313.445 1.580 20 30 DDEDMP C=CCN(CC=C)CCN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC001207442286 873276000 /nfs/dbraw/zinc/27/60/00/873276000.db2.gz XQEZGWHQUCOFSF-UHFFFAOYSA-N 2 1 306.498 1.278 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209633714 875021661 /nfs/dbraw/zinc/02/16/61/875021661.db2.gz WKSOFKRCWZCLPH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001378747479 875537462 /nfs/dbraw/zinc/53/74/62/875537462.db2.gz HNFPTOZPTJMCBD-QKDCVEJESA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001378747479 875537471 /nfs/dbraw/zinc/53/74/71/875537471.db2.gz HNFPTOZPTJMCBD-QKDCVEJESA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001378747479 875537485 /nfs/dbraw/zinc/53/74/85/875537485.db2.gz HNFPTOZPTJMCBD-QKDCVEJESA-N 2 1 313.873 1.765 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868372 876086103 /nfs/dbraw/zinc/08/61/03/876086103.db2.gz UYEYJZWHIRAVPP-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001276717278 876555326 /nfs/dbraw/zinc/55/53/26/876555326.db2.gz NYEJHWUEJCMGOK-NNZMDNLPSA-N 2 1 319.493 1.979 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379213751 876624126 /nfs/dbraw/zinc/62/41/26/876624126.db2.gz FCFDRBAFPZNOSA-RDBSUJKOSA-N 2 1 301.862 1.906 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001379268614 876711343 /nfs/dbraw/zinc/71/13/43/876711343.db2.gz OXRIJUJCRVWQLP-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379489325 877195287 /nfs/dbraw/zinc/19/52/87/877195287.db2.gz GDLCEBJVHVAIAU-LRDDRELGSA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379489325 877195294 /nfs/dbraw/zinc/19/52/94/877195294.db2.gz GDLCEBJVHVAIAU-LRDDRELGSA-N 2 1 318.396 1.386 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220236939 878842466 /nfs/dbraw/zinc/84/24/66/878842466.db2.gz KUFVIHWWYWHVPX-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588007 879961143 /nfs/dbraw/zinc/96/11/43/879961143.db2.gz PWALGMLBKNNEJM-BZUAXINKSA-N 2 1 311.445 1.775 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945187 880163210 /nfs/dbraw/zinc/16/32/10/880163210.db2.gz IBMUJSJNQAGLPN-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945187 880163214 /nfs/dbraw/zinc/16/32/14/880163214.db2.gz IBMUJSJNQAGLPN-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945187 880163219 /nfs/dbraw/zinc/16/32/19/880163219.db2.gz IBMUJSJNQAGLPN-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001222682055 880648257 /nfs/dbraw/zinc/64/82/57/880648257.db2.gz ANGVTPAKYDDDMP-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682055 880648265 /nfs/dbraw/zinc/64/82/65/880648265.db2.gz ANGVTPAKYDDDMP-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229626233 884083111 /nfs/dbraw/zinc/08/31/11/884083111.db2.gz VGTHEDPHPYWCQH-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001230274983 884401976 /nfs/dbraw/zinc/40/19/76/884401976.db2.gz XFGGWVHTNQUUKY-ZACQAIPSSA-N 2 1 305.466 1.901 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001277656056 886311447 /nfs/dbraw/zinc/31/14/47/886311447.db2.gz WFUSFCLDMVWHOT-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@H](Oc3ccc(C)cc3)C[C@@H]2C1 ZINC001235661356 888857510 /nfs/dbraw/zinc/85/75/10/888857510.db2.gz MFZCKSKGEOTYIZ-IEBWSBKVSA-N 2 1 315.461 1.908 20 30 DDEDMP C#CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC[NH+](C(C)C)CC1 ZINC001278200948 890128815 /nfs/dbraw/zinc/12/88/15/890128815.db2.gz ZCFDEGHPBVGZKK-KRWDZBQOSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC[NH+](C(C)C)CC1 ZINC001278200948 890128825 /nfs/dbraw/zinc/12/88/25/890128825.db2.gz ZCFDEGHPBVGZKK-KRWDZBQOSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001281956029 890343877 /nfs/dbraw/zinc/34/38/77/890343877.db2.gz ACAIQOICMXVJTB-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001281956029 890343894 /nfs/dbraw/zinc/34/38/94/890343894.db2.gz ACAIQOICMXVJTB-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001281956029 890343913 /nfs/dbraw/zinc/34/39/13/890343913.db2.gz ACAIQOICMXVJTB-MRXNPFEDSA-N 2 1 307.482 1.910 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278388305 891917442 /nfs/dbraw/zinc/91/74/42/891917442.db2.gz JKQMWDYXIZVHKV-WMZOPIPTSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001278388305 891917450 /nfs/dbraw/zinc/91/74/50/891917450.db2.gz JKQMWDYXIZVHKV-WMZOPIPTSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278388305 891917466 /nfs/dbraw/zinc/91/74/66/891917466.db2.gz JKQMWDYXIZVHKV-WMZOPIPTSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001278388305 891917484 /nfs/dbraw/zinc/91/74/84/891917484.db2.gz JKQMWDYXIZVHKV-WMZOPIPTSA-N 2 1 321.465 1.090 20 30 DDEDMP N#Cc1cc(F)cc(-c2noc([C@@H]([NH3+])C3CC[NH2+]CC3)n2)c1 ZINC001249328448 893935013 /nfs/dbraw/zinc/93/50/13/893935013.db2.gz SKBWXYRTRCKVOO-ZDUSSCGKSA-N 2 1 301.325 1.747 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001253577512 895905368 /nfs/dbraw/zinc/90/53/68/895905368.db2.gz VXCUQEXCYSIDDP-OAHLLOKOSA-N 2 1 322.474 1.962 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001253577512 895905375 /nfs/dbraw/zinc/90/53/75/895905375.db2.gz VXCUQEXCYSIDDP-OAHLLOKOSA-N 2 1 322.474 1.962 20 30 DDEDMP C#CCOCCOCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256601653 897499426 /nfs/dbraw/zinc/49/94/26/897499426.db2.gz VIUAOVONDLKCGI-UHFFFAOYSA-N 2 1 316.445 1.907 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001390512780 899579160 /nfs/dbraw/zinc/57/91/60/899579160.db2.gz XNYIENFTPJANEF-CQSZACIVSA-N 2 1 302.422 1.494 20 30 DDEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001265675326 902288410 /nfs/dbraw/zinc/28/84/10/902288410.db2.gz GETLEUCFRLGOEN-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH2+]CCc1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001266084975 902909205 /nfs/dbraw/zinc/90/92/05/902909205.db2.gz PAUNVTCNNMLUOG-UHFFFAOYSA-N 2 1 324.428 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC=C)CC1 ZINC001280364792 903612172 /nfs/dbraw/zinc/61/21/72/903612172.db2.gz DKEKYSCZFWNECB-ULQDDVLXSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC=C)CC1 ZINC001280364792 903612180 /nfs/dbraw/zinc/61/21/80/903612180.db2.gz DKEKYSCZFWNECB-ULQDDVLXSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001281568563 905042876 /nfs/dbraw/zinc/04/28/76/905042876.db2.gz WGMBXGUZFOBFBF-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001281783088 905216846 /nfs/dbraw/zinc/21/68/46/905216846.db2.gz YWQOKTYBIIAVEL-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001281783088 905216865 /nfs/dbraw/zinc/21/68/65/905216865.db2.gz YWQOKTYBIIAVEL-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001281783088 905216881 /nfs/dbraw/zinc/21/68/81/905216881.db2.gz YWQOKTYBIIAVEL-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C(C)(C)C1 ZINC001282820753 906071055 /nfs/dbraw/zinc/07/10/55/906071055.db2.gz MMWXCRLNOZQINW-HIFRSBDPSA-N 2 1 302.422 1.438 20 30 DDEDMP C=CCOCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001282978245 906385044 /nfs/dbraw/zinc/38/50/44/906385044.db2.gz URASKYQBTAFXBD-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001282978245 906385057 /nfs/dbraw/zinc/38/50/57/906385057.db2.gz URASKYQBTAFXBD-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001282978245 906385072 /nfs/dbraw/zinc/38/50/72/906385072.db2.gz URASKYQBTAFXBD-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001284056722 908406970 /nfs/dbraw/zinc/40/69/70/908406970.db2.gz INBFYNQLODXMHK-JFIYKMOQSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001284228600 908691339 /nfs/dbraw/zinc/69/13/39/908691339.db2.gz VXFUFIZWLXLETI-SJORKVTESA-N 2 1 316.449 1.870 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001375898132 917223172 /nfs/dbraw/zinc/22/31/72/917223172.db2.gz RXXLGXJZGRPTDL-HOCLYGCPSA-N 2 1 313.873 1.909 20 30 DDEDMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278755756 214378397 /nfs/dbraw/zinc/37/83/97/214378397.db2.gz OEFQKGAHRBSFJI-QGZVFWFLSA-N 2 1 314.433 1.763 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623635134 365971135 /nfs/dbraw/zinc/97/11/35/365971135.db2.gz WDWYJCOOKRGGGL-HNNXBMFYSA-N 2 1 308.470 1.668 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079382599 353559338 /nfs/dbraw/zinc/55/93/38/353559338.db2.gz LJYXCUSSGPZZPT-MRXNPFEDSA-N 2 1 304.438 1.244 20 30 DDEDMP [NH2+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000083032160 353705078 /nfs/dbraw/zinc/70/50/78/353705078.db2.gz LABQTGTTZVYWCT-XJKSGUPXSA-N 2 1 314.433 1.899 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000578776805 354712681 /nfs/dbraw/zinc/71/26/81/354712681.db2.gz OXJMLXMOAQHVQX-AWEZNQCLSA-N 2 1 302.422 1.521 20 30 DDEDMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330286283 283095278 /nfs/dbraw/zinc/09/52/78/283095278.db2.gz ZRSABCKNIGZKLI-QLFBSQMISA-N 2 1 317.437 1.528 20 30 DDEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000330286283 283095281 /nfs/dbraw/zinc/09/52/81/283095281.db2.gz ZRSABCKNIGZKLI-QLFBSQMISA-N 2 1 317.437 1.528 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900551 356697402 /nfs/dbraw/zinc/69/74/02/356697402.db2.gz GMRJBDGCCIWOKX-HIFRSBDPSA-N 2 1 322.453 1.098 20 30 DDEDMP Cc1cc(C#N)cnc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597941904 357391371 /nfs/dbraw/zinc/39/13/71/357391371.db2.gz GPJZUJJHCJPLRX-AWEZNQCLSA-N 2 1 317.437 1.264 20 30 DDEDMP Cc1cc(C#N)cnc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597941904 357391376 /nfs/dbraw/zinc/39/13/76/357391376.db2.gz GPJZUJJHCJPLRX-AWEZNQCLSA-N 2 1 317.437 1.264 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(C#N)c1 ZINC000597943359 357393026 /nfs/dbraw/zinc/39/30/26/357393026.db2.gz ZCILFVSOMZJECS-AWEZNQCLSA-N 2 1 302.422 1.560 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(C#N)c1 ZINC000597943359 357393029 /nfs/dbraw/zinc/39/30/29/357393029.db2.gz ZCILFVSOMZJECS-AWEZNQCLSA-N 2 1 302.422 1.560 20 30 DDEDMP Cc1cc(C#N)cc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601115571 358408039 /nfs/dbraw/zinc/40/80/39/358408039.db2.gz IVWZKFYODPQDDZ-QGZVFWFLSA-N 2 1 313.449 1.866 20 30 DDEDMP Cc1cc(C#N)cc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601115571 358408040 /nfs/dbraw/zinc/40/80/40/358408040.db2.gz IVWZKFYODPQDDZ-QGZVFWFLSA-N 2 1 313.449 1.866 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846505 359233487 /nfs/dbraw/zinc/23/34/87/359233487.db2.gz QSNZIBGSAFXXAW-OAHLLOKOSA-N 2 1 315.421 1.354 20 30 DDEDMP N#Cc1ccccc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603171770 359454603 /nfs/dbraw/zinc/45/46/03/359454603.db2.gz CQBDXHPFWZQLSI-UHFFFAOYSA-N 2 1 310.405 1.164 20 30 DDEDMP C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000424142931 533262921 /nfs/dbraw/zinc/26/29/21/533262921.db2.gz IZWHTDYQVIMCEQ-HUUCEWRRSA-N 2 1 322.453 1.157 20 30 DDEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N(C)C)CC2)cs1 ZINC000178572460 407495618 /nfs/dbraw/zinc/49/56/18/407495618.db2.gz YSAQTPBXPJBQKM-UHFFFAOYSA-N 2 1 309.483 1.794 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000113515119 407512910 /nfs/dbraw/zinc/51/29/10/407512910.db2.gz KYPFUCQSLPRTAY-LBPRGKRZSA-N 2 1 306.435 1.832 20 30 DDEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000113515119 407512911 /nfs/dbraw/zinc/51/29/11/407512911.db2.gz KYPFUCQSLPRTAY-LBPRGKRZSA-N 2 1 306.435 1.832 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000174769976 407989366 /nfs/dbraw/zinc/98/93/66/407989366.db2.gz QADHACLBEFRNNC-SJORKVTESA-N 2 1 320.481 1.905 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000291680377 408906199 /nfs/dbraw/zinc/90/61/99/408906199.db2.gz LISNHEVSYGUHAD-UHFFFAOYSA-N 2 1 318.421 1.651 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000294774684 409303795 /nfs/dbraw/zinc/30/37/95/409303795.db2.gz ZKDVYNNPFTYXDO-UHFFFAOYSA-N 2 1 311.389 1.648 20 30 DDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC000328832592 409989845 /nfs/dbraw/zinc/98/98/45/409989845.db2.gz LKGXRXZDHVZMIG-DLBZAZTESA-N 2 1 318.465 1.555 20 30 DDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1ccon1 ZINC000261655171 222252444 /nfs/dbraw/zinc/25/24/44/222252444.db2.gz AKMBXFJDDUXMJM-AWEZNQCLSA-N 2 1 311.455 1.119 20 30 DDEDMP C[NH+]=C(NCc1cnc(C)s1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261656838 222252498 /nfs/dbraw/zinc/25/24/98/222252498.db2.gz AFUCHWLIMMZTKQ-HZMBPMFUSA-N 2 1 307.467 1.599 20 30 DDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261991897 222268328 /nfs/dbraw/zinc/26/83/28/222268328.db2.gz RMZJDQMRYCGSGP-CABCVRRESA-N 2 1 317.437 1.204 20 30 DDEDMP C[NH+]=C(NCc1scnc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262020004 222270663 /nfs/dbraw/zinc/27/06/63/222270663.db2.gz YPBADAYIRMMPEG-ZWNOBZJWSA-N 2 1 307.467 1.599 20 30 DDEDMP COc1ccccc1[C@H](CNC1=[NH+]CCN1C)[NH+]1CCCC1 ZINC000262683126 222290223 /nfs/dbraw/zinc/29/02/23/222290223.db2.gz XEOWTWRPEJMVPN-HNNXBMFYSA-N 2 1 302.422 1.723 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262763420 222292027 /nfs/dbraw/zinc/29/20/27/222292027.db2.gz FAJBUUKTNSMMPV-KRWDZBQOSA-N 3 1 319.497 1.382 20 30 DDEDMP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262763420 222292029 /nfs/dbraw/zinc/29/20/29/222292029.db2.gz FAJBUUKTNSMMPV-KRWDZBQOSA-N 2 1 319.497 1.382 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262763420 222292032 /nfs/dbraw/zinc/29/20/32/222292032.db2.gz FAJBUUKTNSMMPV-KRWDZBQOSA-N 2 1 319.497 1.382 20 30 DDEDMP C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262817264 222296598 /nfs/dbraw/zinc/29/65/98/222296598.db2.gz VZXUAYAOGLPIIL-CYBMUJFWSA-N 2 1 305.426 1.236 20 30 DDEDMP C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262817264 222296601 /nfs/dbraw/zinc/29/66/01/222296601.db2.gz VZXUAYAOGLPIIL-CYBMUJFWSA-N 2 1 305.426 1.236 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000262829304 222296683 /nfs/dbraw/zinc/29/66/83/222296683.db2.gz ZLIYALKUUBUYHL-OAHLLOKOSA-N 2 1 318.421 1.137 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)N[C@@H]1CCOc2ccccc21 ZINC000262829304 222296687 /nfs/dbraw/zinc/29/66/87/222296687.db2.gz ZLIYALKUUBUYHL-OAHLLOKOSA-N 2 1 318.421 1.137 20 30 DDEDMP COCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000264123112 222320876 /nfs/dbraw/zinc/32/08/76/222320876.db2.gz RQFKHVUJTHGJNC-OAHLLOKOSA-N 2 1 318.465 1.969 20 30 DDEDMP C=CCNC(=[NH2+])NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000363521876 418767075 /nfs/dbraw/zinc/76/70/75/418767075.db2.gz FKYUPFSOXFPVTF-UHFFFAOYSA-N 2 1 307.467 1.963 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCC#N)CC2)CC1 ZINC000568649835 421621286 /nfs/dbraw/zinc/62/12/86/421621286.db2.gz ITSDBUVGUCXDPF-UHFFFAOYSA-N 2 1 306.454 1.555 20 30 DDEDMP C=CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc(OC)c1O ZINC000650715277 423237919 /nfs/dbraw/zinc/23/79/19/423237919.db2.gz XAJYXFREGUIMPB-NVXWUHKLSA-N 2 1 320.433 1.925 20 30 DDEDMP C=CCc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc(OC)c1O ZINC000650715277 423237922 /nfs/dbraw/zinc/23/79/22/423237922.db2.gz XAJYXFREGUIMPB-NVXWUHKLSA-N 2 1 320.433 1.925 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528379394 267282681 /nfs/dbraw/zinc/28/26/81/267282681.db2.gz GTKNPTCQUNVEBY-GDBMZVCRSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C#N)C1 ZINC000528379394 267282685 /nfs/dbraw/zinc/28/26/85/267282685.db2.gz GTKNPTCQUNVEBY-GDBMZVCRSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCC(C)(C)C#N)CC2)CC1 ZINC000131868982 341112921 /nfs/dbraw/zinc/11/29/21/341112921.db2.gz BADPQSHCOQIJRC-UHFFFAOYSA-N 2 1 320.481 1.802 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000491805646 526818448 /nfs/dbraw/zinc/81/84/48/526818448.db2.gz OZIPWIZQTKUIJG-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000491805646 526818452 /nfs/dbraw/zinc/81/84/52/526818452.db2.gz OZIPWIZQTKUIJG-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000491805646 526818454 /nfs/dbraw/zinc/81/84/54/526818454.db2.gz OZIPWIZQTKUIJG-OAHLLOKOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#C[C@H](C)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491624548 527317418 /nfs/dbraw/zinc/31/74/18/527317418.db2.gz KQPVJERHOIOEFO-HNNXBMFYSA-N 2 1 305.466 1.663 20 30 DDEDMP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])CCCC#N)sc2C1 ZINC000424136069 527905030 /nfs/dbraw/zinc/90/50/30/527905030.db2.gz NIUFBAWOOBACAC-JTQLQIEISA-N 2 1 307.423 1.481 20 30 DDEDMP CC[N@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])CCCC#N)sc2C1 ZINC000424136069 527905034 /nfs/dbraw/zinc/90/50/34/527905034.db2.gz NIUFBAWOOBACAC-JTQLQIEISA-N 2 1 307.423 1.481 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980240628 696716790 /nfs/dbraw/zinc/71/67/90/696716790.db2.gz PZWWCCNQKNQJTA-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980240628 696716791 /nfs/dbraw/zinc/71/67/91/696716791.db2.gz PZWWCCNQKNQJTA-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980235838 696715169 /nfs/dbraw/zinc/71/51/69/696715169.db2.gz ADFDWQQGLVUYGO-ULQDDVLXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552255 695279746 /nfs/dbraw/zinc/27/97/46/695279746.db2.gz MDVVZIHIMLYDNI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972552255 695279747 /nfs/dbraw/zinc/27/97/47/695279747.db2.gz MDVVZIHIMLYDNI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972552255 695279748 /nfs/dbraw/zinc/27/97/48/695279748.db2.gz MDVVZIHIMLYDNI-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCF)CC2(C)C)CC1 ZINC000977654708 696245737 /nfs/dbraw/zinc/24/57/37/696245737.db2.gz MXKHWGNNIFHNJK-HNNXBMFYSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCF)CC2(C)C)CC1 ZINC000977654708 696245738 /nfs/dbraw/zinc/24/57/38/696245738.db2.gz MXKHWGNNIFHNJK-HNNXBMFYSA-N 2 1 309.429 1.128 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000066244597 696350807 /nfs/dbraw/zinc/35/08/07/696350807.db2.gz YWDXRZDNUFAERK-ZNMIVQPWSA-N 2 1 310.486 1.826 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978252399 696351228 /nfs/dbraw/zinc/35/12/28/696351228.db2.gz TXMJLIZFWPXDBD-TVFCKZIOSA-N 2 1 317.477 1.282 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978252399 696351232 /nfs/dbraw/zinc/35/12/32/696351232.db2.gz TXMJLIZFWPXDBD-TVFCKZIOSA-N 2 1 317.477 1.282 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978252399 696351235 /nfs/dbraw/zinc/35/12/35/696351235.db2.gz TXMJLIZFWPXDBD-TVFCKZIOSA-N 2 1 317.477 1.282 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2c(cccc2C)[nH]1 ZINC000120454958 696695736 /nfs/dbraw/zinc/69/57/36/696695736.db2.gz ALZJRRFDGNMTSX-CYBMUJFWSA-N 2 1 314.437 1.760 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc2cccc(C)c2[nH]1 ZINC000120454958 696695737 /nfs/dbraw/zinc/69/57/37/696695737.db2.gz ALZJRRFDGNMTSX-CYBMUJFWSA-N 2 1 314.437 1.760 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000982012739 697002997 /nfs/dbraw/zinc/00/29/97/697002997.db2.gz FYNAGNKKDUZEAJ-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012739 697002999 /nfs/dbraw/zinc/00/29/99/697002999.db2.gz FYNAGNKKDUZEAJ-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012739 697003002 /nfs/dbraw/zinc/00/30/02/697003002.db2.gz FYNAGNKKDUZEAJ-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCF)C3)CC1 ZINC000982162533 697045857 /nfs/dbraw/zinc/04/58/57/697045857.db2.gz SOJZZVDCBGVDKM-UHFFFAOYSA-N 2 1 321.440 1.226 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCF)C3)CC1 ZINC000982162533 697045860 /nfs/dbraw/zinc/04/58/60/697045860.db2.gz SOJZZVDCBGVDKM-UHFFFAOYSA-N 2 1 321.440 1.226 20 30 DDEDMP C(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N2CCCC2)nc1 ZINC000799490039 700145664 /nfs/dbraw/zinc/14/56/64/700145664.db2.gz MOHXCOUBGPXHEB-UHFFFAOYSA-N 2 1 317.437 1.328 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000985790090 697573512 /nfs/dbraw/zinc/57/35/12/697573512.db2.gz PFDSEKKFSHZAFR-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000237699456 697812691 /nfs/dbraw/zinc/81/26/91/697812691.db2.gz GPLQAZOMNZNGNZ-GOEBONIOSA-N 2 1 303.406 1.524 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000730104888 699501553 /nfs/dbraw/zinc/50/15/53/699501553.db2.gz YVHAKKKVMDXCOZ-MSOLQXFVSA-N 2 1 313.445 1.373 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000730104888 699501554 /nfs/dbraw/zinc/50/15/54/699501554.db2.gz YVHAKKKVMDXCOZ-MSOLQXFVSA-N 2 1 313.445 1.373 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000730279195 699506303 /nfs/dbraw/zinc/50/63/03/699506303.db2.gz KVSATTGCOKLFRZ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000730279195 699506304 /nfs/dbraw/zinc/50/63/04/699506304.db2.gz KVSATTGCOKLFRZ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000730279195 699506305 /nfs/dbraw/zinc/50/63/05/699506305.db2.gz KVSATTGCOKLFRZ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000730279195 699506306 /nfs/dbraw/zinc/50/63/06/699506306.db2.gz KVSATTGCOKLFRZ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C[N@H+](CC1CC[NH+](C)CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766618045 701057064 /nfs/dbraw/zinc/05/70/64/701057064.db2.gz CDLCJAPENQQSBY-UHFFFAOYSA-N 2 1 314.433 1.440 20 30 DDEDMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766618045 701057065 /nfs/dbraw/zinc/05/70/65/701057065.db2.gz CDLCJAPENQQSBY-UHFFFAOYSA-N 2 1 314.433 1.440 20 30 DDEDMP CC(=NNCCC[NH+]1CCOCC1)c1ccc(C[NH+](C)C)cc1 ZINC000814923233 701771491 /nfs/dbraw/zinc/77/14/91/701771491.db2.gz CQUNFCAPRLEYIL-UHFFFAOYSA-N 2 1 318.465 1.784 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000843062924 702811430 /nfs/dbraw/zinc/81/14/30/702811430.db2.gz UHORSBXDKAKXBS-SJORKVTESA-N 2 1 303.406 1.028 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852859575 704151271 /nfs/dbraw/zinc/15/12/71/704151271.db2.gz XCGXENHGLDOPGT-IYBDPMFKSA-N 2 1 305.466 1.474 20 30 DDEDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852861779 704152196 /nfs/dbraw/zinc/15/21/96/704152196.db2.gz JMRIWFPCMDZAHO-HNNXBMFYSA-N 2 1 305.466 1.616 20 30 DDEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852870068 704155459 /nfs/dbraw/zinc/15/54/59/704155459.db2.gz OXZZQGJIPPYOQN-QGZVFWFLSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000862629928 705758290 /nfs/dbraw/zinc/75/82/90/705758290.db2.gz DJLPAPYKZNNVCF-GOSISDBHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[C@H](C(=O)OC)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878016091 706264831 /nfs/dbraw/zinc/26/48/31/706264831.db2.gz PVSZRMFOZQZOLB-MRXNPFEDSA-N 2 1 310.438 1.538 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000884298571 708232017 /nfs/dbraw/zinc/23/20/17/708232017.db2.gz WIXRUOVDWRLIEG-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000884298571 708232018 /nfs/dbraw/zinc/23/20/18/708232018.db2.gz WIXRUOVDWRLIEG-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000884298571 708232023 /nfs/dbraw/zinc/23/20/23/708232023.db2.gz WIXRUOVDWRLIEG-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000884298571 708232028 /nfs/dbraw/zinc/23/20/28/708232028.db2.gz WIXRUOVDWRLIEG-NVXWUHKLSA-N 2 1 318.465 1.400 20 30 DDEDMP Cc1[nH+]ccn1CCCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884322785 708244128 /nfs/dbraw/zinc/24/41/28/708244128.db2.gz VKCDQBVPTKJZFU-ISXOHVOVSA-N 2 1 315.421 1.179 20 30 DDEDMP C=CCN1CC[C@H]([NH+]2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)C1=O ZINC000886663338 708809130 /nfs/dbraw/zinc/80/91/30/708809130.db2.gz YPNOCNBUIKHRQU-HNNXBMFYSA-N 2 1 302.422 1.993 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000912688031 713069169 /nfs/dbraw/zinc/06/91/69/713069169.db2.gz KDZGLCNHQKBJHT-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CC)[C@H]2CC[N@H+](CC)C2)C1 ZINC000890362440 709835276 /nfs/dbraw/zinc/83/52/76/709835276.db2.gz CKQFSSABGXJDEL-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)C1 ZINC000890362440 709835278 /nfs/dbraw/zinc/83/52/78/709835278.db2.gz CKQFSSABGXJDEL-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000890362440 709835280 /nfs/dbraw/zinc/83/52/80/709835280.db2.gz CKQFSSABGXJDEL-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000890362440 709835282 /nfs/dbraw/zinc/83/52/82/709835282.db2.gz CKQFSSABGXJDEL-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000892851756 710512573 /nfs/dbraw/zinc/51/25/73/710512573.db2.gz QBIARIOLXLAHLV-SJORKVTESA-N 2 1 320.481 1.905 20 30 DDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000906413977 712318757 /nfs/dbraw/zinc/31/87/57/712318757.db2.gz JZLFUFFQWWFRNX-MRXNPFEDSA-N 2 1 308.470 1.802 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N(C)CCC[N@@H+](C)Cc1ccncc1 ZINC000908237604 712716898 /nfs/dbraw/zinc/71/68/98/712716898.db2.gz LVWIYIDQBNXBND-UHFFFAOYSA-N 2 1 318.465 1.870 20 30 DDEDMP N#CC1CCC(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CC1 ZINC000930167197 713771151 /nfs/dbraw/zinc/77/11/51/713771151.db2.gz JMOMCMMZRGFJHG-UHFFFAOYSA-N 2 1 321.465 1.475 20 30 DDEDMP C#CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1CC[NH+](C)CC1 ZINC000922518181 714076765 /nfs/dbraw/zinc/07/67/65/714076765.db2.gz TUCQUVFWSWOPBR-HNNXBMFYSA-N 2 1 308.470 1.454 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959917798 716354890 /nfs/dbraw/zinc/35/48/90/716354890.db2.gz CJFXRLFXDXGUPJ-KBXIAJHMSA-N 2 1 309.841 1.127 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000959917798 716354893 /nfs/dbraw/zinc/35/48/93/716354893.db2.gz CJFXRLFXDXGUPJ-KBXIAJHMSA-N 2 1 309.841 1.127 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958555690 716619406 /nfs/dbraw/zinc/61/94/06/716619406.db2.gz MIOHPBXVORSVFI-IRXDYDNUSA-N 2 1 323.481 1.092 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743447 716939877 /nfs/dbraw/zinc/93/98/77/716939877.db2.gz ACNJSGBLSIJERC-HOTGVXAUSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940747923 716943304 /nfs/dbraw/zinc/94/33/04/716943304.db2.gz RSGIDWQAZXOJFB-SJORKVTESA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798273 716965068 /nfs/dbraw/zinc/96/50/68/716965068.db2.gz FLCHZJIQOYDTCW-IRXDYDNUSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027190 717078607 /nfs/dbraw/zinc/07/86/07/717078607.db2.gz BGSHWCCLFFTOAH-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027190 717078611 /nfs/dbraw/zinc/07/86/11/717078611.db2.gz BGSHWCCLFFTOAH-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027190 717078617 /nfs/dbraw/zinc/07/86/17/717078617.db2.gz BGSHWCCLFFTOAH-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944169304 718265338 /nfs/dbraw/zinc/26/53/38/718265338.db2.gz NOYFEMZQEGGOBR-ZBFHGGJFSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967086133 718761409 /nfs/dbraw/zinc/76/14/09/718761409.db2.gz LPKBLGKBKLYAQP-CXAGYDPISA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967086133 718761411 /nfs/dbraw/zinc/76/14/11/718761411.db2.gz LPKBLGKBKLYAQP-CXAGYDPISA-N 2 1 310.401 1.716 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC[C@@H]2C1 ZINC000946631565 718859321 /nfs/dbraw/zinc/85/93/21/718859321.db2.gz OILMEYPVLHHCFZ-QKPAOTATSA-N 2 1 314.433 1.870 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC000947471328 719176387 /nfs/dbraw/zinc/17/63/87/719176387.db2.gz ARQINBHJUGJVTI-ZFWWWQNUSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC)[C@@H](C)C2)CC1 ZINC000948069419 719348923 /nfs/dbraw/zinc/34/89/23/719348923.db2.gz HNGFTEIQHKSXRC-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968409832 719567037 /nfs/dbraw/zinc/56/70/37/719567037.db2.gz RAPCEAOIETWUNU-GDBMZVCRSA-N 2 1 319.453 1.071 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948765791 719694946 /nfs/dbraw/zinc/69/49/46/719694946.db2.gz CUXRDZOCPQEHKD-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948765791 719694947 /nfs/dbraw/zinc/69/49/47/719694947.db2.gz CUXRDZOCPQEHKD-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000948765791 719694948 /nfs/dbraw/zinc/69/49/48/719694948.db2.gz CUXRDZOCPQEHKD-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC000968925442 719874687 /nfs/dbraw/zinc/87/46/87/719874687.db2.gz DHMWURZFWOIBRK-JKSUJKDBSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCF)C2)CC1 ZINC001023762080 735450780 /nfs/dbraw/zinc/45/07/80/735450780.db2.gz QUZFZOOMKMUHTJ-MRXNPFEDSA-N 2 1 323.456 1.519 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCC)C2)CC1 ZINC001027693898 738557672 /nfs/dbraw/zinc/55/76/72/738557672.db2.gz MQPZUEBHYIJWGA-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694809 738558589 /nfs/dbraw/zinc/55/85/89/738558589.db2.gz JCSHGBYYKPJWLC-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001020587412 732536851 /nfs/dbraw/zinc/53/68/51/732536851.db2.gz FAMAOQPFGSXSGD-RBSFLKMASA-N 2 1 302.422 1.567 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001112529946 738670607 /nfs/dbraw/zinc/67/06/07/738670607.db2.gz WWSUTQWNFGKHPA-AOIWGVFYSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104311113 733444213 /nfs/dbraw/zinc/44/42/13/733444213.db2.gz SJUIONKMRUTMMP-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409914 735214827 /nfs/dbraw/zinc/21/48/27/735214827.db2.gz IUJVAECCNLJFHY-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409914 735214830 /nfs/dbraw/zinc/21/48/30/735214830.db2.gz IUJVAECCNLJFHY-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409914 735214833 /nfs/dbraw/zinc/21/48/33/735214833.db2.gz IUJVAECCNLJFHY-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023411285 735217603 /nfs/dbraw/zinc/21/76/03/735217603.db2.gz BULJYSQPKTZEAB-HOTGVXAUSA-N 2 1 314.433 1.612 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023411285 735217605 /nfs/dbraw/zinc/21/76/05/735217605.db2.gz BULJYSQPKTZEAB-HOTGVXAUSA-N 2 1 314.433 1.612 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3cnc[nH]3)C2)C1 ZINC000972573827 735262592 /nfs/dbraw/zinc/26/25/92/735262592.db2.gz SZJWMYHAFNKQRR-QGZVFWFLSA-N 2 1 318.421 1.222 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438666 735828154 /nfs/dbraw/zinc/82/81/54/735828154.db2.gz UIUNEYAZJIEFLL-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024477094 735854823 /nfs/dbraw/zinc/85/48/23/735854823.db2.gz IHBHWIDSXSEJJK-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001024477094 735854825 /nfs/dbraw/zinc/85/48/25/735854825.db2.gz IHBHWIDSXSEJJK-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235476 736458859 /nfs/dbraw/zinc/45/88/59/736458859.db2.gz XXNSWHOKLXQLOU-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC=C)C2)CC1 ZINC001025629029 736795718 /nfs/dbraw/zinc/79/57/18/736795718.db2.gz ZBXIAQSPGYPTRB-FUHWJXTLSA-N 2 1 317.477 1.734 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025782066 736852008 /nfs/dbraw/zinc/85/20/08/736852008.db2.gz YELPHDLCMRDFLX-DZVNLGKHSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025782066 736852014 /nfs/dbraw/zinc/85/20/14/736852014.db2.gz YELPHDLCMRDFLX-DZVNLGKHSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025782066 736852016 /nfs/dbraw/zinc/85/20/16/736852016.db2.gz YELPHDLCMRDFLX-DZVNLGKHSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C/C=C/Cl)C[C@H]32)CC1 ZINC001026149334 737147325 /nfs/dbraw/zinc/14/73/25/737147325.db2.gz SQQNWCSCPFAKDT-QXYDKAIHSA-N 2 1 321.852 1.131 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001035369712 751433408 /nfs/dbraw/zinc/43/34/08/751433408.db2.gz JDTSZSMEJXFZCW-IRXDYDNUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001035369710 751433697 /nfs/dbraw/zinc/43/36/97/751433697.db2.gz JDTSZSMEJXFZCW-DLBZAZTESA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028935206 740187619 /nfs/dbraw/zinc/18/76/19/740187619.db2.gz XTFXIJAUMYYTDA-CQSZACIVSA-N 2 1 300.406 1.223 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028935206 740187623 /nfs/dbraw/zinc/18/76/23/740187623.db2.gz XTFXIJAUMYYTDA-CQSZACIVSA-N 2 1 300.406 1.223 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1CC ZINC001037878087 751526935 /nfs/dbraw/zinc/52/69/35/751526935.db2.gz XAJZANZOCHLQRS-HOTGVXAUSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168028964 740790822 /nfs/dbraw/zinc/79/08/22/740790822.db2.gz BACQRHWVBVSNPN-CVEARBPZSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998189295 751579580 /nfs/dbraw/zinc/57/95/80/751579580.db2.gz NBMAEQICUJXBRQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998189295 751579584 /nfs/dbraw/zinc/57/95/84/751579584.db2.gz NBMAEQICUJXBRQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998189295 751579589 /nfs/dbraw/zinc/57/95/89/751579589.db2.gz NBMAEQICUJXBRQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964438 740891631 /nfs/dbraw/zinc/89/16/31/740891631.db2.gz KXJCKYUSZYQPKD-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964438 740891638 /nfs/dbraw/zinc/89/16/38/740891638.db2.gz KXJCKYUSZYQPKD-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964438 740891649 /nfs/dbraw/zinc/89/16/49/740891649.db2.gz KXJCKYUSZYQPKD-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001088013956 740947199 /nfs/dbraw/zinc/94/71/99/740947199.db2.gz AZBSXHQLHJPNGM-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014436203 742181138 /nfs/dbraw/zinc/18/11/38/742181138.db2.gz PAVQWSGBUPATGB-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014436203 742181141 /nfs/dbraw/zinc/18/11/41/742181141.db2.gz PAVQWSGBUPATGB-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014436203 742181143 /nfs/dbraw/zinc/18/11/43/742181143.db2.gz PAVQWSGBUPATGB-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014436203 742181146 /nfs/dbraw/zinc/18/11/46/742181146.db2.gz PAVQWSGBUPATGB-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075975063 742299841 /nfs/dbraw/zinc/29/98/41/742299841.db2.gz LUUTYKYENLELJE-WMLDXEAASA-N 2 1 310.401 1.975 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605739 742819410 /nfs/dbraw/zinc/81/94/10/742819410.db2.gz QHGQIJGNVJDBSD-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040394679 743493056 /nfs/dbraw/zinc/49/30/56/743493056.db2.gz KKLLERCXRXJKKU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040394679 743493061 /nfs/dbraw/zinc/49/30/61/743493061.db2.gz KKLLERCXRXJKKU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040394679 743493064 /nfs/dbraw/zinc/49/30/64/743493064.db2.gz KKLLERCXRXJKKU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001182718186 743696217 /nfs/dbraw/zinc/69/62/17/743696217.db2.gz DVOQZAGYFBVIBY-CJNGLKHVSA-N 2 1 315.421 1.004 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001182718186 743696220 /nfs/dbraw/zinc/69/62/20/743696220.db2.gz DVOQZAGYFBVIBY-CJNGLKHVSA-N 2 1 315.421 1.004 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001183038566 743767189 /nfs/dbraw/zinc/76/71/89/743767189.db2.gz CMCQAPXEFFFGHW-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089058809 744479356 /nfs/dbraw/zinc/47/93/56/744479356.db2.gz KCAUCGDKAHQESO-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992121665 744614011 /nfs/dbraw/zinc/61/40/11/744614011.db2.gz XISQWIADHPCLLG-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992121665 744614013 /nfs/dbraw/zinc/61/40/13/744614013.db2.gz XISQWIADHPCLLG-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992121665 744614014 /nfs/dbraw/zinc/61/40/14/744614014.db2.gz XISQWIADHPCLLG-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992121665 744614015 /nfs/dbraw/zinc/61/40/15/744614015.db2.gz XISQWIADHPCLLG-LZLYRXPVSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992139587 744629060 /nfs/dbraw/zinc/62/90/60/744629060.db2.gz UNVGUZPOWJAIJH-DWRORGKVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992139587 744629062 /nfs/dbraw/zinc/62/90/62/744629062.db2.gz UNVGUZPOWJAIJH-DWRORGKVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992139587 744629065 /nfs/dbraw/zinc/62/90/65/744629065.db2.gz UNVGUZPOWJAIJH-DWRORGKVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001190725796 745308087 /nfs/dbraw/zinc/30/80/87/745308087.db2.gz RQXHBZFYQYKBBO-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001190725796 745308095 /nfs/dbraw/zinc/30/80/95/745308095.db2.gz RQXHBZFYQYKBBO-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001190725796 745308100 /nfs/dbraw/zinc/30/81/00/745308100.db2.gz RQXHBZFYQYKBBO-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001190725796 745308107 /nfs/dbraw/zinc/30/81/07/745308107.db2.gz RQXHBZFYQYKBBO-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(C)C)C1 ZINC001190725796 745308112 /nfs/dbraw/zinc/30/81/12/745308112.db2.gz RQXHBZFYQYKBBO-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001191018522 745405561 /nfs/dbraw/zinc/40/55/61/745405561.db2.gz AJRSHMUPFHFKBX-HUUCEWRRSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001191018522 745405563 /nfs/dbraw/zinc/40/55/63/745405563.db2.gz AJRSHMUPFHFKBX-HUUCEWRRSA-N 2 1 316.449 1.932 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC)[C@H](C)C1 ZINC001106266448 745493686 /nfs/dbraw/zinc/49/36/86/745493686.db2.gz KGJPYNIXUBKUEZ-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC)[C@H](C)C1 ZINC001106266448 745493689 /nfs/dbraw/zinc/49/36/89/745493689.db2.gz KGJPYNIXUBKUEZ-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106266655 745494027 /nfs/dbraw/zinc/49/40/27/745494027.db2.gz WBEWSRBIHHFTDN-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(C)C)[C@H](C)C1 ZINC001106266655 745494031 /nfs/dbraw/zinc/49/40/31/745494031.db2.gz WBEWSRBIHHFTDN-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106353758 745622439 /nfs/dbraw/zinc/62/24/39/745622439.db2.gz CTCJSJQSEIUENG-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357617 745625596 /nfs/dbraw/zinc/62/55/96/745625596.db2.gz GYEJPGDPQQJEQB-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192355303 745766176 /nfs/dbraw/zinc/76/61/76/745766176.db2.gz QPWWQBOKFQBXLS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355303 745766177 /nfs/dbraw/zinc/76/61/77/745766177.db2.gz QPWWQBOKFQBXLS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355303 745766179 /nfs/dbraw/zinc/76/61/79/745766179.db2.gz QPWWQBOKFQBXLS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001099239538 745836186 /nfs/dbraw/zinc/83/61/86/745836186.db2.gz GPBNIHRYNXQQAF-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001099239538 745836188 /nfs/dbraw/zinc/83/61/88/745836188.db2.gz GPBNIHRYNXQQAF-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001099239538 745836195 /nfs/dbraw/zinc/83/61/95/745836195.db2.gz GPBNIHRYNXQQAF-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001194245729 746319343 /nfs/dbraw/zinc/31/93/43/746319343.db2.gz CWADIJISNGIDKU-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001194246558 746320470 /nfs/dbraw/zinc/32/04/70/746320470.db2.gz OQJZNOUGXVYKAK-WBVHZDCISA-N 2 1 323.456 1.612 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993992856 746413171 /nfs/dbraw/zinc/41/31/71/746413171.db2.gz XDNRGPODXPENQU-ZBFHGGJFSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC=C)[C@H]2C)CC1 ZINC000994500346 746696551 /nfs/dbraw/zinc/69/65/51/746696551.db2.gz RDWCHOGULGUXEB-FUHWJXTLSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268827 746813310 /nfs/dbraw/zinc/81/33/10/746813310.db2.gz LXHIVSSAWKTVQD-GVDBMIGSSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268827 746813314 /nfs/dbraw/zinc/81/33/14/746813314.db2.gz LXHIVSSAWKTVQD-GVDBMIGSSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268827 746813320 /nfs/dbraw/zinc/81/33/20/746813320.db2.gz LXHIVSSAWKTVQD-GVDBMIGSSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268827 746813326 /nfs/dbraw/zinc/81/33/26/746813326.db2.gz LXHIVSSAWKTVQD-GVDBMIGSSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCF)CC(C)(C)C1 ZINC001089408856 746821482 /nfs/dbraw/zinc/82/14/82/746821482.db2.gz IKGOKNNRVOEIIK-CVEARBPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001089408856 746821490 /nfs/dbraw/zinc/82/14/90/746821490.db2.gz IKGOKNNRVOEIIK-CVEARBPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCF)CC(C)(C)C1 ZINC001089408856 746821494 /nfs/dbraw/zinc/82/14/94/746821494.db2.gz IKGOKNNRVOEIIK-CVEARBPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCF)CC(C)(C)C1 ZINC001089408856 746821501 /nfs/dbraw/zinc/82/15/01/746821501.db2.gz IKGOKNNRVOEIIK-CVEARBPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089559512 747219821 /nfs/dbraw/zinc/21/98/21/747219821.db2.gz PSKNDUNTSUDCPK-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089559512 747219826 /nfs/dbraw/zinc/21/98/26/747219826.db2.gz PSKNDUNTSUDCPK-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003627931 747335113 /nfs/dbraw/zinc/33/51/13/747335113.db2.gz JZKOJIHMNMKTHM-GOSISDBHSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007496389 752174145 /nfs/dbraw/zinc/17/41/45/752174145.db2.gz PIPSCMRDYLLGJJ-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496389 752174147 /nfs/dbraw/zinc/17/41/47/752174147.db2.gz PIPSCMRDYLLGJJ-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496389 752174152 /nfs/dbraw/zinc/17/41/52/752174152.db2.gz PIPSCMRDYLLGJJ-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497919 752175151 /nfs/dbraw/zinc/17/51/51/752175151.db2.gz HLXRUFGWEHAOFM-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497919 752175153 /nfs/dbraw/zinc/17/51/53/752175153.db2.gz HLXRUFGWEHAOFM-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497919 752175155 /nfs/dbraw/zinc/17/51/55/752175155.db2.gz HLXRUFGWEHAOFM-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089620839 747484540 /nfs/dbraw/zinc/48/45/40/747484540.db2.gz HGNLCOBGDFNAAG-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089620839 747484544 /nfs/dbraw/zinc/48/45/44/747484544.db2.gz HGNLCOBGDFNAAG-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089620839 747484548 /nfs/dbraw/zinc/48/45/48/747484548.db2.gz HGNLCOBGDFNAAG-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089620839 747484551 /nfs/dbraw/zinc/48/45/51/747484551.db2.gz HGNLCOBGDFNAAG-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1C ZINC001127689977 748188134 /nfs/dbraw/zinc/18/81/34/748188134.db2.gz DOKYEICENMZIBL-IUODEOHRSA-N 2 1 318.396 1.243 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC#Cc2ccccc2)CC[N@H+]1C ZINC001127690543 748193200 /nfs/dbraw/zinc/19/32/00/748193200.db2.gz NNMVRCQYMNOBSL-ZWKOTPCHSA-N 2 1 313.445 1.474 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200688408 748311888 /nfs/dbraw/zinc/31/18/88/748311888.db2.gz PKFXSMRQOBMJPW-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721735 748328352 /nfs/dbraw/zinc/32/83/52/748328352.db2.gz ONZYCDXPZFNDCT-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805707 748350273 /nfs/dbraw/zinc/35/02/73/748350273.db2.gz MCRCMBGSXPWSOP-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124120 748469033 /nfs/dbraw/zinc/46/90/33/748469033.db2.gz VDNKUJWLPIBDTA-OAHLLOKOSA-N 2 1 319.474 1.979 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033124120 748469035 /nfs/dbraw/zinc/46/90/35/748469035.db2.gz VDNKUJWLPIBDTA-OAHLLOKOSA-N 2 1 319.474 1.979 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201402094 748498464 /nfs/dbraw/zinc/49/84/64/748498464.db2.gz APICXKOEAOWGSW-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033141598 748527607 /nfs/dbraw/zinc/52/76/07/748527607.db2.gz NQXOUXKZUFMGBV-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001033141598 748527611 /nfs/dbraw/zinc/52/76/11/748527611.db2.gz NQXOUXKZUFMGBV-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001033141598 748527617 /nfs/dbraw/zinc/52/76/17/748527617.db2.gz NQXOUXKZUFMGBV-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033161534 748686898 /nfs/dbraw/zinc/68/68/98/748686898.db2.gz MWSJPFIXIOMQGI-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033161534 748686904 /nfs/dbraw/zinc/68/69/04/748686904.db2.gz MWSJPFIXIOMQGI-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033161534 748686907 /nfs/dbraw/zinc/68/69/07/748686907.db2.gz MWSJPFIXIOMQGI-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001033161534 748686912 /nfs/dbraw/zinc/68/69/12/748686912.db2.gz MWSJPFIXIOMQGI-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001033210269 748929888 /nfs/dbraw/zinc/92/98/88/748929888.db2.gz FNZVFCYBHOVUCB-JKSUJKDBSA-N 2 1 316.449 1.944 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039307573 761923061 /nfs/dbraw/zinc/92/30/61/761923061.db2.gz NNDYUJBKJVQZBX-XYTVBORESA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365304 749253759 /nfs/dbraw/zinc/25/37/59/749253759.db2.gz MDNIODLYLYGPLA-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365304 749253763 /nfs/dbraw/zinc/25/37/63/749253763.db2.gz MDNIODLYLYGPLA-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365304 749253767 /nfs/dbraw/zinc/25/37/67/749253767.db2.gz MDNIODLYLYGPLA-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365304 749253771 /nfs/dbraw/zinc/25/37/71/749253771.db2.gz MDNIODLYLYGPLA-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996201104 749432087 /nfs/dbraw/zinc/43/20/87/749432087.db2.gz CWCAQBPYVWBSGO-GOEBONIOSA-N 2 1 314.433 1.214 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033834123 749958036 /nfs/dbraw/zinc/95/80/36/749958036.db2.gz CNZPQOAWPTYDLR-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033834123 749958039 /nfs/dbraw/zinc/95/80/39/749958039.db2.gz CNZPQOAWPTYDLR-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033834123 749958040 /nfs/dbraw/zinc/95/80/40/749958040.db2.gz CNZPQOAWPTYDLR-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001005414769 750004803 /nfs/dbraw/zinc/00/48/03/750004803.db2.gz HPUHTSBAPPLEGM-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039411356 762008153 /nfs/dbraw/zinc/00/81/53/762008153.db2.gz RDFQQIZBFRVJSS-FGTMMUONSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001039411356 762008162 /nfs/dbraw/zinc/00/81/62/762008162.db2.gz RDFQQIZBFRVJSS-FGTMMUONSA-N 2 1 315.461 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107549923 750113863 /nfs/dbraw/zinc/11/38/63/750113863.db2.gz KMHOFMYPFUOPHT-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107549923 750113866 /nfs/dbraw/zinc/11/38/66/750113866.db2.gz KMHOFMYPFUOPHT-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107549923 750113872 /nfs/dbraw/zinc/11/38/72/750113872.db2.gz KMHOFMYPFUOPHT-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC#CC)C2)CC1 ZINC001034045510 750313005 /nfs/dbraw/zinc/31/30/05/750313005.db2.gz KCCQYEAGSLWJPJ-GOSISDBHSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001034046698 750314045 /nfs/dbraw/zinc/31/40/45/750314045.db2.gz UMZOPLGCELSPNY-MRXNPFEDSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001034046698 750314053 /nfs/dbraw/zinc/31/40/53/750314053.db2.gz UMZOPLGCELSPNY-MRXNPFEDSA-N 2 1 309.429 1.224 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001108394805 762037252 /nfs/dbraw/zinc/03/72/52/762037252.db2.gz KBYIRZDWGHWWCZ-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394805 762037257 /nfs/dbraw/zinc/03/72/57/762037257.db2.gz KBYIRZDWGHWWCZ-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001108394805 762037261 /nfs/dbraw/zinc/03/72/61/762037261.db2.gz KBYIRZDWGHWWCZ-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001034653716 750632633 /nfs/dbraw/zinc/63/26/33/750632633.db2.gz QQSNJFFSEHTLGT-QAETUUGQSA-N 2 1 321.465 1.443 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001034662136 750643063 /nfs/dbraw/zinc/64/30/63/750643063.db2.gz DLBNQVHGFURBDL-BRWVUGGUSA-N 2 1 305.466 1.900 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413994 750669499 /nfs/dbraw/zinc/66/94/99/750669499.db2.gz XIYUETQRJNYBBL-PMPSAXMXSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001032413994 750669503 /nfs/dbraw/zinc/66/95/03/750669503.db2.gz XIYUETQRJNYBBL-PMPSAXMXSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997182555 750670758 /nfs/dbraw/zinc/67/07/58/750670758.db2.gz ZBCUZTAWKYXIJZ-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475111 750960945 /nfs/dbraw/zinc/96/09/45/750960945.db2.gz FDKAOIYRUGBBEG-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475111 750960948 /nfs/dbraw/zinc/96/09/48/750960948.db2.gz FDKAOIYRUGBBEG-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000683365 762087876 /nfs/dbraw/zinc/08/78/76/762087876.db2.gz QOTFBFIYFUDFCO-IRXDYDNUSA-N 2 1 303.450 1.795 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000683365 762087881 /nfs/dbraw/zinc/08/78/81/762087881.db2.gz QOTFBFIYFUDFCO-IRXDYDNUSA-N 2 1 303.450 1.795 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000683365 762087894 /nfs/dbraw/zinc/08/78/94/762087894.db2.gz QOTFBFIYFUDFCO-IRXDYDNUSA-N 2 1 303.450 1.795 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=C)Cl)C1 ZINC000999400664 752877061 /nfs/dbraw/zinc/87/70/61/752877061.db2.gz VHGPIPLNQGIKNZ-GJZGRUSLSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=C)Cl)C1 ZINC000999400664 752877065 /nfs/dbraw/zinc/87/70/65/752877065.db2.gz VHGPIPLNQGIKNZ-GJZGRUSLSA-N 2 1 309.841 1.417 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2ccnc2)C1 ZINC001108436736 762196497 /nfs/dbraw/zinc/19/64/97/762196497.db2.gz ZKKRSQDTCVWBGD-INIZCTEOSA-N 2 1 306.410 1.056 20 30 DDEDMP C=C(C)CCN1CCO[C@@](C)(CNC(=O)Cn2ccnc2)C1 ZINC001108436736 762196499 /nfs/dbraw/zinc/19/64/99/762196499.db2.gz ZKKRSQDTCVWBGD-INIZCTEOSA-N 2 1 306.410 1.056 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001912489 754573758 /nfs/dbraw/zinc/57/37/58/754573758.db2.gz UNYOMEDIBBXUBW-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](O)C1 ZINC001090308890 754835885 /nfs/dbraw/zinc/83/58/85/754835885.db2.gz YTGMLWBXFZVYOH-UONOGXRCSA-N 2 1 323.462 1.161 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038628384 755337281 /nfs/dbraw/zinc/33/72/81/755337281.db2.gz PWPAVUSHBBANHR-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628384 755337285 /nfs/dbraw/zinc/33/72/85/755337285.db2.gz PWPAVUSHBBANHR-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628384 755337289 /nfs/dbraw/zinc/33/72/89/755337289.db2.gz PWPAVUSHBBANHR-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241723 762454427 /nfs/dbraw/zinc/45/44/27/762454427.db2.gz RXFRDLNVYKTJCT-AEFFLSMTSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)[C@H](OC)C1 ZINC001082319965 756736357 /nfs/dbraw/zinc/73/63/57/756736357.db2.gz RCCVCDQXLVRZQP-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@H](OC)C1 ZINC001082319965 756736359 /nfs/dbraw/zinc/73/63/59/756736359.db2.gz RCCVCDQXLVRZQP-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319965 756736363 /nfs/dbraw/zinc/73/63/63/756736363.db2.gz RCCVCDQXLVRZQP-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319965 756736367 /nfs/dbraw/zinc/73/63/67/756736367.db2.gz RCCVCDQXLVRZQP-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001082384841 756763733 /nfs/dbraw/zinc/76/37/33/756763733.db2.gz NYMIZYSCOZGKDQ-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384841 756763736 /nfs/dbraw/zinc/76/37/36/756763736.db2.gz NYMIZYSCOZGKDQ-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001082384841 756763739 /nfs/dbraw/zinc/76/37/39/756763739.db2.gz NYMIZYSCOZGKDQ-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016969762 757518435 /nfs/dbraw/zinc/51/84/35/757518435.db2.gz OJPDVJYCYGEOCL-ZIAGYGMSSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406109 757564883 /nfs/dbraw/zinc/56/48/83/757564883.db2.gz GPRJUGJJAGFMGO-BZUAXINKSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001084406109 757564891 /nfs/dbraw/zinc/56/48/91/757564891.db2.gz GPRJUGJJAGFMGO-BZUAXINKSA-N 2 1 312.417 1.317 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706093 757670078 /nfs/dbraw/zinc/67/00/78/757670078.db2.gz OUFFYNZBZHKIDW-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001052706093 757670084 /nfs/dbraw/zinc/67/00/84/757670084.db2.gz OUFFYNZBZHKIDW-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609016 757705562 /nfs/dbraw/zinc/70/55/62/757705562.db2.gz RTBIUALJOLNXTJ-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609016 757705568 /nfs/dbraw/zinc/70/55/68/757705568.db2.gz RTBIUALJOLNXTJ-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001084609016 757705575 /nfs/dbraw/zinc/70/55/75/757705575.db2.gz RTBIUALJOLNXTJ-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052763977 757738811 /nfs/dbraw/zinc/73/88/11/757738811.db2.gz KRBRVXDXANLSDE-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763977 757738815 /nfs/dbraw/zinc/73/88/15/757738815.db2.gz KRBRVXDXANLSDE-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763977 757738822 /nfs/dbraw/zinc/73/88/22/757738822.db2.gz KRBRVXDXANLSDE-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765001 757741295 /nfs/dbraw/zinc/74/12/95/757741295.db2.gz VDXYOEAEVBWKDO-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001084850482 757981262 /nfs/dbraw/zinc/98/12/62/757981262.db2.gz GLHNZTCJRFSTOS-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040641953 762635533 /nfs/dbraw/zinc/63/55/33/762635533.db2.gz XGGPEPKDABMESY-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)C13CCC[NH+]1CCC3)CO2 ZINC001053857494 758891255 /nfs/dbraw/zinc/89/12/55/758891255.db2.gz GSCSROUAWBXMKL-HNNXBMFYSA-N 2 1 319.449 1.150 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001054153673 759235918 /nfs/dbraw/zinc/23/59/18/759235918.db2.gz WILJYUMAIXEAJM-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001054153673 759235923 /nfs/dbraw/zinc/23/59/23/759235923.db2.gz WILJYUMAIXEAJM-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001054153673 759235930 /nfs/dbraw/zinc/23/59/30/759235930.db2.gz WILJYUMAIXEAJM-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054239715 759329612 /nfs/dbraw/zinc/32/96/12/759329612.db2.gz KHWYCHLYRAMZIW-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054239715 759329619 /nfs/dbraw/zinc/32/96/19/759329619.db2.gz KHWYCHLYRAMZIW-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054239715 759329627 /nfs/dbraw/zinc/32/96/27/759329627.db2.gz KHWYCHLYRAMZIW-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598418 759811037 /nfs/dbraw/zinc/81/10/37/759811037.db2.gz SNZHTIMBMFHKKW-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598418 759811041 /nfs/dbraw/zinc/81/10/41/759811041.db2.gz SNZHTIMBMFHKKW-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598418 759811049 /nfs/dbraw/zinc/81/10/49/759811049.db2.gz SNZHTIMBMFHKKW-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598418 759811058 /nfs/dbraw/zinc/81/10/58/759811058.db2.gz SNZHTIMBMFHKKW-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788620 760243951 /nfs/dbraw/zinc/24/39/51/760243951.db2.gz ONPQNLQDFXNHOY-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788620 760243955 /nfs/dbraw/zinc/24/39/55/760243955.db2.gz ONPQNLQDFXNHOY-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001085986674 760657203 /nfs/dbraw/zinc/65/72/03/760657203.db2.gz KLXWEMJGYBCGMT-WBVHZDCISA-N 2 1 323.456 1.612 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038895134 761519265 /nfs/dbraw/zinc/51/92/65/761519265.db2.gz BVDTUVIKFQJZJM-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038895134 761519268 /nfs/dbraw/zinc/51/92/68/761519268.db2.gz BVDTUVIKFQJZJM-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041360064 762979828 /nfs/dbraw/zinc/97/98/28/762979828.db2.gz WROPEWVONIDIMC-SJLPKXTDSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041375153 762987056 /nfs/dbraw/zinc/98/70/56/762987056.db2.gz LLFRJFRLPLTLQU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041375153 762987057 /nfs/dbraw/zinc/98/70/57/762987057.db2.gz LLFRJFRLPLTLQU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041375153 762987058 /nfs/dbraw/zinc/98/70/58/762987058.db2.gz LLFRJFRLPLTLQU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001041725702 763258151 /nfs/dbraw/zinc/25/81/51/763258151.db2.gz QGSKOVPMGYBZGJ-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041834468 763387371 /nfs/dbraw/zinc/38/73/71/763387371.db2.gz DGJQOPQLCSSUFV-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041834468 763387389 /nfs/dbraw/zinc/38/73/89/763387389.db2.gz DGJQOPQLCSSUFV-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001046942408 768138773 /nfs/dbraw/zinc/13/87/73/768138773.db2.gz UXJBCYYLBHFOOJ-MGPQQGTHSA-N 2 1 313.392 1.033 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046942408 768138776 /nfs/dbraw/zinc/13/87/76/768138776.db2.gz UXJBCYYLBHFOOJ-MGPQQGTHSA-N 2 1 313.392 1.033 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046942408 768138779 /nfs/dbraw/zinc/13/87/79/768138779.db2.gz UXJBCYYLBHFOOJ-MGPQQGTHSA-N 2 1 313.392 1.033 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046942408 768138781 /nfs/dbraw/zinc/13/87/81/768138781.db2.gz UXJBCYYLBHFOOJ-MGPQQGTHSA-N 2 1 313.392 1.033 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)CC1 ZINC001050563134 763757852 /nfs/dbraw/zinc/75/78/52/763757852.db2.gz IKBGWSOKLFIQFC-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252580 763821746 /nfs/dbraw/zinc/82/17/46/763821746.db2.gz KWVOMQAXBIZKPI-HZPDHXFCSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252580 763821754 /nfs/dbraw/zinc/82/17/54/763821754.db2.gz KWVOMQAXBIZKPI-HZPDHXFCSA-N 2 1 314.433 1.563 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661577 763884472 /nfs/dbraw/zinc/88/44/72/763884472.db2.gz ZGVCRZANKPPBDF-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050665522 763892172 /nfs/dbraw/zinc/89/21/72/763892172.db2.gz ZMFJBNJBANEMGK-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046992772 768176113 /nfs/dbraw/zinc/17/61/13/768176113.db2.gz CINOLRVYEQALPB-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992772 768176117 /nfs/dbraw/zinc/17/61/17/768176117.db2.gz CINOLRVYEQALPB-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992772 768176120 /nfs/dbraw/zinc/17/61/20/768176120.db2.gz CINOLRVYEQALPB-KBPBESRZSA-N 2 1 313.392 1.035 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733560 763979965 /nfs/dbraw/zinc/97/99/65/763979965.db2.gz VOGXIHHJMSRDEZ-UGUYLWEFSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1ccsc1 ZINC001129770102 766997999 /nfs/dbraw/zinc/99/79/99/766997999.db2.gz ANRTUZOBLOXVBD-INIZCTEOSA-N 2 1 319.474 1.484 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCc1ccsc1 ZINC001129770102 766998003 /nfs/dbraw/zinc/99/80/03/766998003.db2.gz ANRTUZOBLOXVBD-INIZCTEOSA-N 2 1 319.474 1.484 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096104194 767661300 /nfs/dbraw/zinc/66/13/00/767661300.db2.gz FKTGAXXGKLQWKM-OWSLCNJRSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104194 767661307 /nfs/dbraw/zinc/66/13/07/767661307.db2.gz FKTGAXXGKLQWKM-OWSLCNJRSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104194 767661310 /nfs/dbraw/zinc/66/13/10/767661310.db2.gz FKTGAXXGKLQWKM-OWSLCNJRSA-N 2 1 317.477 1.994 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046568144 767695850 /nfs/dbraw/zinc/69/58/50/767695850.db2.gz NOMWGBFFHYYTQF-NVXWUHKLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046568144 767695852 /nfs/dbraw/zinc/69/58/52/767695852.db2.gz NOMWGBFFHYYTQF-NVXWUHKLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568144 767695856 /nfs/dbraw/zinc/69/58/56/767695856.db2.gz NOMWGBFFHYYTQF-NVXWUHKLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046568144 767695860 /nfs/dbraw/zinc/69/58/60/767695860.db2.gz NOMWGBFFHYYTQF-NVXWUHKLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183854 768670527 /nfs/dbraw/zinc/67/05/27/768670527.db2.gz VUJBFYNNSSDRTK-ZBFHGGJFSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183854 768670528 /nfs/dbraw/zinc/67/05/28/768670528.db2.gz VUJBFYNNSSDRTK-ZBFHGGJFSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001132488936 768921966 /nfs/dbraw/zinc/92/19/66/768921966.db2.gz DGIXDLZECNTHAH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562041 769535345 /nfs/dbraw/zinc/53/53/45/769535345.db2.gz JDMSQXDNQMRGSN-IECFSIQFSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562041 769535351 /nfs/dbraw/zinc/53/53/51/769535351.db2.gz JDMSQXDNQMRGSN-IECFSIQFSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C2 ZINC001048562041 769535355 /nfs/dbraw/zinc/53/53/55/769535355.db2.gz JDMSQXDNQMRGSN-IECFSIQFSA-N 2 1 317.477 1.567 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849819 769984214 /nfs/dbraw/zinc/98/42/14/769984214.db2.gz TVIVVEAHYCVIAH-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849819 769984219 /nfs/dbraw/zinc/98/42/19/769984219.db2.gz TVIVVEAHYCVIAH-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849819 769984222 /nfs/dbraw/zinc/98/42/22/769984222.db2.gz TVIVVEAHYCVIAH-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480078 770908924 /nfs/dbraw/zinc/90/89/24/770908924.db2.gz CWPBCHHZGQXOMZ-HZMVEIRTSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480078 770908928 /nfs/dbraw/zinc/90/89/28/770908928.db2.gz CWPBCHHZGQXOMZ-HZMVEIRTSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480078 770908931 /nfs/dbraw/zinc/90/89/31/770908931.db2.gz CWPBCHHZGQXOMZ-HZMVEIRTSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001049515414 770959052 /nfs/dbraw/zinc/95/90/52/770959052.db2.gz OVVKZHIRWCNOGX-OKZBNKHCSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049515414 770959060 /nfs/dbraw/zinc/95/90/60/770959060.db2.gz OVVKZHIRWCNOGX-OKZBNKHCSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001049515414 770959065 /nfs/dbraw/zinc/95/90/65/770959065.db2.gz OVVKZHIRWCNOGX-OKZBNKHCSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)COC1CC[NH+](C)CC1 ZINC001049828429 771191842 /nfs/dbraw/zinc/19/18/42/771191842.db2.gz OFOHKIAFABVUCH-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCF)CC1 ZINC001049918005 771258783 /nfs/dbraw/zinc/25/87/83/771258783.db2.gz JMFYRKYICORGFS-SJORKVTESA-N 2 1 321.440 1.366 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675312 771644553 /nfs/dbraw/zinc/64/45/53/771644553.db2.gz DXCVHKRHSMKDLH-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001170868854 771788545 /nfs/dbraw/zinc/78/85/45/771788545.db2.gz VASGXKWAPKMHNN-QGZVFWFLSA-N 2 1 301.434 1.799 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107499 772151030 /nfs/dbraw/zinc/15/10/30/772151030.db2.gz KQXKELQGISACSH-NCOADZHNSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001090828977 772248797 /nfs/dbraw/zinc/24/87/97/772248797.db2.gz VSNLVQNHTGJZNM-IRXDYDNUSA-N 2 1 317.433 1.099 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@H+]3C2)CC1 ZINC001147291189 773102835 /nfs/dbraw/zinc/10/28/35/773102835.db2.gz LNLQSKSOOMTGOQ-GVDBMIGSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CC1 ZINC001147291189 773102836 /nfs/dbraw/zinc/10/28/36/773102836.db2.gz LNLQSKSOOMTGOQ-GVDBMIGSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)CC1 ZINC001147291189 773102840 /nfs/dbraw/zinc/10/28/40/773102840.db2.gz LNLQSKSOOMTGOQ-GVDBMIGSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)CC1 ZINC001147291189 773102843 /nfs/dbraw/zinc/10/28/43/773102843.db2.gz LNLQSKSOOMTGOQ-GVDBMIGSSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147723994 773213706 /nfs/dbraw/zinc/21/37/06/773213706.db2.gz HDNWBYISJJCXOB-MRXNPFEDSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001073661975 773275793 /nfs/dbraw/zinc/27/57/93/773275793.db2.gz FSIHELULLANBOF-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661975 773275797 /nfs/dbraw/zinc/27/57/97/773275797.db2.gz FSIHELULLANBOF-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001073661975 773275803 /nfs/dbraw/zinc/27/58/03/773275803.db2.gz FSIHELULLANBOF-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755841 773379534 /nfs/dbraw/zinc/37/95/34/773379534.db2.gz LAHZRCBVEGEUSW-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899277 773509539 /nfs/dbraw/zinc/50/95/39/773509539.db2.gz PLWLUQQXXIBQLG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899277 773509541 /nfs/dbraw/zinc/50/95/41/773509541.db2.gz PLWLUQQXXIBQLG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899277 773509543 /nfs/dbraw/zinc/50/95/43/773509543.db2.gz PLWLUQQXXIBQLG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001148570481 773512413 /nfs/dbraw/zinc/51/24/13/773512413.db2.gz FWYLYIOTHGKVOX-UHFFFAOYSA-N 2 1 301.434 1.476 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731644 773527543 /nfs/dbraw/zinc/52/75/43/773527543.db2.gz RWMKUUZHPVARHQ-LMMKCTJWSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731644 773527546 /nfs/dbraw/zinc/52/75/46/773527546.db2.gz RWMKUUZHPVARHQ-LMMKCTJWSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C[C@]2(C)C1 ZINC001091731644 773527549 /nfs/dbraw/zinc/52/75/49/773527549.db2.gz RWMKUUZHPVARHQ-LMMKCTJWSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001148899883 773629310 /nfs/dbraw/zinc/62/93/10/773629310.db2.gz ITNUTYSMQZCSFE-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010293 773919573 /nfs/dbraw/zinc/91/95/73/773919573.db2.gz AIVHJJKQPDQKMB-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010293 773919577 /nfs/dbraw/zinc/91/95/77/773919577.db2.gz AIVHJJKQPDQKMB-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010293 773919582 /nfs/dbraw/zinc/91/95/82/773919582.db2.gz AIVHJJKQPDQKMB-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CCC)C[C@@]3(C)C2)CC1 ZINC001092299797 774052244 /nfs/dbraw/zinc/05/22/44/774052244.db2.gz IYWWSZYMLVPJAI-MJGOQNOKSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611041 774188698 /nfs/dbraw/zinc/18/86/98/774188698.db2.gz GIIPLCROJAVBCK-OIISXLGYSA-N 2 1 305.466 1.588 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092671381 774213002 /nfs/dbraw/zinc/21/30/02/774213002.db2.gz JBUGZCWJOSEKHL-FGTMMUONSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671381 774213015 /nfs/dbraw/zinc/21/30/15/774213015.db2.gz JBUGZCWJOSEKHL-FGTMMUONSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092671381 774213019 /nfs/dbraw/zinc/21/30/19/774213019.db2.gz JBUGZCWJOSEKHL-FGTMMUONSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001092689934 774233646 /nfs/dbraw/zinc/23/36/46/774233646.db2.gz STYZAHFBSSTZAW-KBVIYHELSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001092689934 774233650 /nfs/dbraw/zinc/23/36/50/774233650.db2.gz STYZAHFBSSTZAW-KBVIYHELSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1C ZINC001092689934 774233655 /nfs/dbraw/zinc/23/36/55/774233655.db2.gz STYZAHFBSSTZAW-KBVIYHELSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1C ZINC001092689934 774233659 /nfs/dbraw/zinc/23/36/59/774233659.db2.gz STYZAHFBSSTZAW-KBVIYHELSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036738024 774432337 /nfs/dbraw/zinc/43/23/37/774432337.db2.gz ZSRNNUBVDBJPLW-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036738024 774432341 /nfs/dbraw/zinc/43/23/41/774432341.db2.gz ZSRNNUBVDBJPLW-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036738024 774432343 /nfs/dbraw/zinc/43/23/43/774432343.db2.gz ZSRNNUBVDBJPLW-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036738023 774432958 /nfs/dbraw/zinc/43/29/58/774432958.db2.gz ZSRNNUBVDBJPLW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036738023 774432960 /nfs/dbraw/zinc/43/29/60/774432960.db2.gz ZSRNNUBVDBJPLW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036738023 774432962 /nfs/dbraw/zinc/43/29/62/774432962.db2.gz ZSRNNUBVDBJPLW-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230657 774518378 /nfs/dbraw/zinc/51/83/78/774518378.db2.gz MUWVPJGQHOQFSQ-UNEWFSDZSA-N 2 1 312.417 1.506 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C2 ZINC001098230657 774518384 /nfs/dbraw/zinc/51/83/84/774518384.db2.gz MUWVPJGQHOQFSQ-UNEWFSDZSA-N 2 1 312.417 1.506 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144688 774863390 /nfs/dbraw/zinc/86/33/90/774863390.db2.gz LANFVFLIKQCMJJ-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099144688 774863398 /nfs/dbraw/zinc/86/33/98/774863398.db2.gz LANFVFLIKQCMJJ-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001099169550 774877733 /nfs/dbraw/zinc/87/77/33/774877733.db2.gz VRCVMFJYWOCWGG-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001099169550 774877744 /nfs/dbraw/zinc/87/77/44/774877744.db2.gz VRCVMFJYWOCWGG-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099169550 774877752 /nfs/dbraw/zinc/87/77/52/774877752.db2.gz VRCVMFJYWOCWGG-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001099169550 774877762 /nfs/dbraw/zinc/87/77/62/774877762.db2.gz VRCVMFJYWOCWGG-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841936 774893489 /nfs/dbraw/zinc/89/34/89/774893489.db2.gz HTQAFGPLDNWSRX-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@H]21 ZINC001036841936 774893496 /nfs/dbraw/zinc/89/34/96/774893496.db2.gz HTQAFGPLDNWSRX-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529540 775019015 /nfs/dbraw/zinc/01/90/15/775019015.db2.gz RTIYXVJCZGOQHT-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544593 775023204 /nfs/dbraw/zinc/02/32/04/775023204.db2.gz RFULKXXOAWNFOM-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544593 775023209 /nfs/dbraw/zinc/02/32/09/775023209.db2.gz RFULKXXOAWNFOM-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544593 775023217 /nfs/dbraw/zinc/02/32/17/775023217.db2.gz RFULKXXOAWNFOM-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985412 775526023 /nfs/dbraw/zinc/52/60/23/775526023.db2.gz CCQKNUASDHVHMA-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001100415266 776122841 /nfs/dbraw/zinc/12/28/41/776122841.db2.gz IBCMDFPWRWLQFY-PYZVULKVSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C/Cl)C1 ZINC001100415266 776122848 /nfs/dbraw/zinc/12/28/48/776122848.db2.gz IBCMDFPWRWLQFY-PYZVULKVSA-N 2 1 309.841 1.321 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100680997 776433393 /nfs/dbraw/zinc/43/33/93/776433393.db2.gz PXVHFMFSZFKLLA-UHFFFAOYSA-N 2 1 323.481 1.405 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001100729819 776479140 /nfs/dbraw/zinc/47/91/40/776479140.db2.gz QYJSRCRXKZJHOU-UHFFFAOYSA-N 2 1 302.422 1.514 20 30 DDEDMP C#CCCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1=O ZINC001172114794 776651862 /nfs/dbraw/zinc/65/18/62/776651862.db2.gz QNZPXNFISWPDHY-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001175255840 777735865 /nfs/dbraw/zinc/73/58/65/777735865.db2.gz HNXNTGHLQTWSGK-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001175704275 777891045 /nfs/dbraw/zinc/89/10/45/777891045.db2.gz UNTCFJMWIWSMQD-QGZVFWFLSA-N 2 1 323.481 1.387 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994090 778539903 /nfs/dbraw/zinc/53/99/03/778539903.db2.gz OZQSTFLTEPTGJT-NXHRZFHOSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001177416086 778588852 /nfs/dbraw/zinc/58/88/52/778588852.db2.gz UBOLMOVEWXBZSJ-SJLPKXTDSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC=C ZINC001178722159 779138104 /nfs/dbraw/zinc/13/81/04/779138104.db2.gz BSGVCHMUPLNEJF-KRWDZBQOSA-N 2 1 305.466 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CCC=C ZINC001178722159 779138109 /nfs/dbraw/zinc/13/81/09/779138109.db2.gz BSGVCHMUPLNEJF-KRWDZBQOSA-N 2 1 305.466 1.926 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984653 779589294 /nfs/dbraw/zinc/58/92/94/779589294.db2.gz HUFNJENDHANLCE-WMZOPIPTSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCCC2)C1 ZINC001111984653 779589301 /nfs/dbraw/zinc/58/93/01/779589301.db2.gz HUFNJENDHANLCE-WMZOPIPTSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001267170422 837461702 /nfs/dbraw/zinc/46/17/02/837461702.db2.gz LRGJTBKHRDBKJY-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001267170422 837461708 /nfs/dbraw/zinc/46/17/08/837461708.db2.gz LRGJTBKHRDBKJY-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267179363 837479469 /nfs/dbraw/zinc/47/94/69/837479469.db2.gz OQBYBBQNEHEAND-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271796684 844114519 /nfs/dbraw/zinc/11/45/19/844114519.db2.gz IGXKDVYLFHEMJN-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001266469544 836310254 /nfs/dbraw/zinc/31/02/54/836310254.db2.gz NTGRXPCOTXADEY-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267592348 838385171 /nfs/dbraw/zinc/38/51/71/838385171.db2.gz RMGNNRCQWPKQHF-QGZVFWFLSA-N 2 1 316.449 1.775 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267592348 838385175 /nfs/dbraw/zinc/38/51/75/838385175.db2.gz RMGNNRCQWPKQHF-QGZVFWFLSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267604648 838423691 /nfs/dbraw/zinc/42/36/91/838423691.db2.gz ZLHZOLHSLJDTPG-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCCC1 ZINC001267841174 839065082 /nfs/dbraw/zinc/06/50/82/839065082.db2.gz MDJRNPRTGFFFQR-OAHLLOKOSA-N 2 1 314.433 1.406 20 30 DDEDMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268166329 839781641 /nfs/dbraw/zinc/78/16/41/839781641.db2.gz SAPWNSDWDCVCQM-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268166329 839781662 /nfs/dbraw/zinc/78/16/62/839781662.db2.gz SAPWNSDWDCVCQM-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CCCC1 ZINC001270403782 842549158 /nfs/dbraw/zinc/54/91/58/842549158.db2.gz LZNXSYVEEVLKLY-SJORKVTESA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CCCC1 ZINC001270403782 842549164 /nfs/dbraw/zinc/54/91/64/842549164.db2.gz LZNXSYVEEVLKLY-SJORKVTESA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001280220450 842559420 /nfs/dbraw/zinc/55/94/20/842559420.db2.gz XTUGGEGODFMDCQ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC001270791661 842905975 /nfs/dbraw/zinc/90/59/75/842905975.db2.gz PYXWXGWVBVDCOW-SFHVURJKSA-N 2 1 323.456 1.851 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001271167357 843362872 /nfs/dbraw/zinc/36/28/72/843362872.db2.gz LZPSKWIXXXZRCY-YOEHRIQHSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001271167357 843362887 /nfs/dbraw/zinc/36/28/87/843362887.db2.gz LZPSKWIXXXZRCY-YOEHRIQHSA-N 2 1 320.437 1.099 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034238784 848165718 /nfs/dbraw/zinc/16/57/18/848165718.db2.gz FGNNBFSOQPMHNM-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034238784 848165721 /nfs/dbraw/zinc/16/57/21/848165721.db2.gz FGNNBFSOQPMHNM-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034238784 848165724 /nfs/dbraw/zinc/16/57/24/848165724.db2.gz FGNNBFSOQPMHNM-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329582 848335878 /nfs/dbraw/zinc/33/58/78/848335878.db2.gz ICFCSGNDNPSLKW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)CC[N@H+](C)CC ZINC001410487333 849405068 /nfs/dbraw/zinc/40/50/68/849405068.db2.gz UHZWLWUGFRCCRB-GFCCVEGCSA-N 2 1 320.275 1.673 20 30 DDEDMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001273530247 851063801 /nfs/dbraw/zinc/06/38/01/851063801.db2.gz ONABKKZBNKAOGB-QGZVFWFLSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001273530247 851063811 /nfs/dbraw/zinc/06/38/11/851063811.db2.gz ONABKKZBNKAOGB-QGZVFWFLSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001273530247 851063814 /nfs/dbraw/zinc/06/38/14/851063814.db2.gz ONABKKZBNKAOGB-QGZVFWFLSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC(C[N@@H+](CC)CC#C)CC1 ZINC001274950517 852708572 /nfs/dbraw/zinc/70/85/72/852708572.db2.gz PZGJLTOPGFFHAC-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001274950517 852708578 /nfs/dbraw/zinc/70/85/78/852708578.db2.gz PZGJLTOPGFFHAC-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001274950517 852708583 /nfs/dbraw/zinc/70/85/83/852708583.db2.gz PZGJLTOPGFFHAC-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001274950517 852708590 /nfs/dbraw/zinc/70/85/90/852708590.db2.gz PZGJLTOPGFFHAC-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001274950517 852708596 /nfs/dbraw/zinc/70/85/96/852708596.db2.gz PZGJLTOPGFFHAC-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CCN1Cc2ccc(CNC(=O)CC[N@H+](C)CCC)cc2C1 ZINC001327696537 862397506 /nfs/dbraw/zinc/39/75/06/862397506.db2.gz TVVNQVJNLXWGEU-UHFFFAOYSA-N 2 1 313.445 1.984 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001275290229 852957852 /nfs/dbraw/zinc/95/78/52/852957852.db2.gz AOUCIDDRDNCSGH-ROUUACIJSA-N 2 1 314.433 1.005 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]21 ZINC001275290229 852957857 /nfs/dbraw/zinc/95/78/57/852957857.db2.gz AOUCIDDRDNCSGH-ROUUACIJSA-N 2 1 314.433 1.005 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717568 862432143 /nfs/dbraw/zinc/43/21/43/862432143.db2.gz YVMUWLUBJWGUPO-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001275567454 853363832 /nfs/dbraw/zinc/36/38/32/853363832.db2.gz UMGYUWKYSQQYRX-ZDUSSCGKSA-N 2 1 307.463 1.883 20 30 DDEDMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001275629097 853455292 /nfs/dbraw/zinc/45/52/92/853455292.db2.gz JSLPSEZJGGZREA-QGZVFWFLSA-N 2 1 315.461 1.816 20 30 DDEDMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001275629097 853455301 /nfs/dbraw/zinc/45/53/01/853455301.db2.gz JSLPSEZJGGZREA-QGZVFWFLSA-N 2 1 315.461 1.816 20 30 DDEDMP C=CCC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327970568 862601226 /nfs/dbraw/zinc/60/12/26/862601226.db2.gz DWLQQKMOGXFWJB-INIZCTEOSA-N 2 1 321.440 1.994 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001276195234 854942097 /nfs/dbraw/zinc/94/20/97/854942097.db2.gz HUEUSUIRFWGYQT-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001151147556 862650014 /nfs/dbraw/zinc/65/00/14/862650014.db2.gz QYVZVJGDKLIVAF-UHFFFAOYSA-N 2 1 314.364 1.088 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049551157 856963874 /nfs/dbraw/zinc/96/38/74/856963874.db2.gz FDUWPHPNZJKFOA-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC[NH+]1C ZINC001049551157 856963884 /nfs/dbraw/zinc/96/38/84/856963884.db2.gz FDUWPHPNZJKFOA-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)C1 ZINC001072813336 857740767 /nfs/dbraw/zinc/74/07/67/857740767.db2.gz NPZBYUXLOISPOW-QGZVFWFLSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C2)C1 ZINC001072849930 857798101 /nfs/dbraw/zinc/79/81/01/857798101.db2.gz NZJIUWPDKQTNDR-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072849930 857798113 /nfs/dbraw/zinc/79/81/13/857798113.db2.gz NZJIUWPDKQTNDR-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001072849930 857798123 /nfs/dbraw/zinc/79/81/23/857798123.db2.gz NZJIUWPDKQTNDR-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050253 858047354 /nfs/dbraw/zinc/04/73/54/858047354.db2.gz QQMWTJYMQZCZMA-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050253 858047359 /nfs/dbraw/zinc/04/73/59/858047359.db2.gz QQMWTJYMQZCZMA-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050253 858047367 /nfs/dbraw/zinc/04/73/67/858047367.db2.gz QQMWTJYMQZCZMA-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460637 858355050 /nfs/dbraw/zinc/35/50/50/858355050.db2.gz BFWZSHYQMZMIHG-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599541 858473202 /nfs/dbraw/zinc/47/32/02/858473202.db2.gz HEEJBSGREYAKOF-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599541 858473206 /nfs/dbraw/zinc/47/32/06/858473206.db2.gz HEEJBSGREYAKOF-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599541 858473209 /nfs/dbraw/zinc/47/32/09/858473209.db2.gz HEEJBSGREYAKOF-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc(F)cc(C#N)c1 ZINC001139876800 860504890 /nfs/dbraw/zinc/50/48/90/860504890.db2.gz MNUAOXKPSMEEID-ZWKOTPCHSA-N 2 1 316.424 1.908 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001224854551 881558876 /nfs/dbraw/zinc/55/88/76/881558876.db2.gz CPPWTKAMMRLLLR-UHFFFAOYSA-N 2 1 323.481 1.503 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOCC ZINC001328733159 863180540 /nfs/dbraw/zinc/18/05/40/863180540.db2.gz MAQBBTCZQHRHEJ-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CCOCC ZINC001328733159 863180553 /nfs/dbraw/zinc/18/05/53/863180553.db2.gz MAQBBTCZQHRHEJ-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCOCC ZINC001328733159 863180560 /nfs/dbraw/zinc/18/05/60/863180560.db2.gz MAQBBTCZQHRHEJ-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCOCC ZINC001328733159 863180565 /nfs/dbraw/zinc/18/05/65/863180565.db2.gz MAQBBTCZQHRHEJ-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001330230997 864177371 /nfs/dbraw/zinc/17/73/71/864177371.db2.gz UUWOBMWBRJHJNW-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](CC)OC ZINC001153868765 864179055 /nfs/dbraw/zinc/17/90/55/864179055.db2.gz ZWIIEOIGGFWKDY-IKGGRYGDSA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](CC)OC ZINC001153868765 864179063 /nfs/dbraw/zinc/17/90/63/864179063.db2.gz ZWIIEOIGGFWKDY-IKGGRYGDSA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](CC)OC ZINC001153868765 864179073 /nfs/dbraw/zinc/17/90/73/864179073.db2.gz ZWIIEOIGGFWKDY-IKGGRYGDSA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](CC)OC ZINC001153868765 864179083 /nfs/dbraw/zinc/17/90/83/864179083.db2.gz ZWIIEOIGGFWKDY-IKGGRYGDSA-N 2 1 323.481 1.336 20 30 DDEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001159907566 865587482 /nfs/dbraw/zinc/58/74/82/865587482.db2.gz ADSXJCQNPVNLAT-KRWDZBQOSA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676938 866017951 /nfs/dbraw/zinc/01/79/51/866017951.db2.gz LKWCDABQUGCBNW-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676938 866017968 /nfs/dbraw/zinc/01/79/68/866017968.db2.gz LKWCDABQUGCBNW-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207293 866442173 /nfs/dbraw/zinc/44/21/73/866442173.db2.gz RWBJEJPOKMTKKI-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207293 866442174 /nfs/dbraw/zinc/44/21/74/866442174.db2.gz RWBJEJPOKMTKKI-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207293 866442175 /nfs/dbraw/zinc/44/21/75/866442175.db2.gz RWBJEJPOKMTKKI-RDJZCZTQSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161478971 866700944 /nfs/dbraw/zinc/70/09/44/866700944.db2.gz WNOPSALKBDANLO-UHFFFAOYSA-N 2 1 321.465 1.423 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001161478971 866700950 /nfs/dbraw/zinc/70/09/50/866700950.db2.gz WNOPSALKBDANLO-UHFFFAOYSA-N 2 1 321.465 1.423 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001161952259 867136754 /nfs/dbraw/zinc/13/67/54/867136754.db2.gz FAHHFQLKEAFRRT-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324727062 867482410 /nfs/dbraw/zinc/48/24/10/867482410.db2.gz DYKNCJYLEFXVJK-FUHWJXTLSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165473104 869612393 /nfs/dbraw/zinc/61/23/93/869612393.db2.gz XBRGPLVCAJBZPD-QGZVFWFLSA-N 2 1 319.493 1.864 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317337287 870666937 /nfs/dbraw/zinc/66/69/37/870666937.db2.gz KSFPKYCHNFCJIF-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CC1 ZINC001340029682 870847823 /nfs/dbraw/zinc/84/78/23/870847823.db2.gz NJVQVINRGUWPSC-DJIMGWMZSA-N 2 1 320.481 1.666 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1CC ZINC001316734983 871248942 /nfs/dbraw/zinc/24/89/42/871248942.db2.gz XBNIFQJAACGQLS-WCXIOVBPSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1CC ZINC001316734983 871248960 /nfs/dbraw/zinc/24/89/60/871248960.db2.gz XBNIFQJAACGQLS-WCXIOVBPSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1CC ZINC001316734983 871248978 /nfs/dbraw/zinc/24/89/78/871248978.db2.gz XBNIFQJAACGQLS-WCXIOVBPSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC001340999839 871460067 /nfs/dbraw/zinc/46/00/67/871460067.db2.gz PLPMPIDJDUIGLG-OAHLLOKOSA-N 2 1 311.470 1.487 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001318483629 872107579 /nfs/dbraw/zinc/10/75/79/872107579.db2.gz GGEVPESSUSDWKX-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001206307416 872196672 /nfs/dbraw/zinc/19/66/72/872196672.db2.gz GZJPPPSCZNJDSK-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001316959721 872471211 /nfs/dbraw/zinc/47/12/11/872471211.db2.gz QOCFTWPXUKDGTP-IRXDYDNUSA-N 2 1 322.497 1.027 20 30 DDEDMP C=CC[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001316959721 872471229 /nfs/dbraw/zinc/47/12/29/872471229.db2.gz QOCFTWPXUKDGTP-IRXDYDNUSA-N 2 1 322.497 1.027 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207545312 873367217 /nfs/dbraw/zinc/36/72/17/873367217.db2.gz OVHQZLDJNYKIFM-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001208357704 874056021 /nfs/dbraw/zinc/05/60/21/874056021.db2.gz ACRDOPXMEGNGQY-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cc(C#N)ccn1)C2 ZINC001276689048 875510960 /nfs/dbraw/zinc/51/09/60/875510960.db2.gz ZHECKUISDDZRKA-UHFFFAOYSA-N 2 1 313.449 1.413 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(C#N)ccn1)C2 ZINC001276689048 875510962 /nfs/dbraw/zinc/51/09/62/875510962.db2.gz ZHECKUISDDZRKA-UHFFFAOYSA-N 2 1 313.449 1.413 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211176681 875696465 /nfs/dbraw/zinc/69/64/65/875696465.db2.gz NCCAHZJVKSFJFJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176681 875696476 /nfs/dbraw/zinc/69/64/76/875696476.db2.gz NCCAHZJVKSFJFJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211176527 875697266 /nfs/dbraw/zinc/69/72/66/875697266.db2.gz LPBKGTHPGSAXCJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176527 875697276 /nfs/dbraw/zinc/69/72/76/875697276.db2.gz LPBKGTHPGSAXCJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001222682057 880649112 /nfs/dbraw/zinc/64/91/12/880649112.db2.gz ANGVTPAKYDDDMP-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682057 880649119 /nfs/dbraw/zinc/64/91/19/880649119.db2.gz ANGVTPAKYDDDMP-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223971860 881168391 /nfs/dbraw/zinc/16/83/91/881168391.db2.gz RWDARRDPSKZMLP-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2C[C@H]3C[C@@]3(C(=O)N3CC(CC#N)C3)C2)CC1 ZINC001277797165 887182404 /nfs/dbraw/zinc/18/24/04/887182404.db2.gz PRXFRNCSNCWWEY-SJLPKXTDSA-N 2 1 316.449 1.022 20 30 DDEDMP C=CC[NH2+]CCN(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001236234704 889151037 /nfs/dbraw/zinc/15/10/37/889151037.db2.gz QOKQGLFQGWZHEO-GOSISDBHSA-N 2 1 303.450 1.595 20 30 DDEDMP C=CC[NH2+]CCN(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001236234704 889151048 /nfs/dbraw/zinc/15/10/48/889151048.db2.gz QOKQGLFQGWZHEO-GOSISDBHSA-N 2 1 303.450 1.595 20 30 DDEDMP C#CCN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](CC)CC1 ZINC001278187928 890030742 /nfs/dbraw/zinc/03/07/42/890030742.db2.gz BLNSPJZJWHSUTM-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001278333201 891228849 /nfs/dbraw/zinc/22/88/49/891228849.db2.gz CZRUKEZEQMMCLK-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001278333201 891228869 /nfs/dbraw/zinc/22/88/69/891228869.db2.gz CZRUKEZEQMMCLK-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001245998287 892316427 /nfs/dbraw/zinc/31/64/27/892316427.db2.gz FXKFYWLNWPOOQI-JKSUJKDBSA-N 2 1 306.406 1.536 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)CC1 ZINC001292440422 913689927 /nfs/dbraw/zinc/68/99/27/913689927.db2.gz ULGGZQFEMWTZMQ-UHFFFAOYSA-N 2 1 313.445 1.572 20 30 DDEDMP C[C@@]1([NH3+])CC[N@@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001246531383 892680517 /nfs/dbraw/zinc/68/05/17/892680517.db2.gz QIGZEQKDEMIQSB-GOSISDBHSA-N 2 1 312.417 1.586 20 30 DDEDMP C[C@@]1([NH3+])CC[N@H+](C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001246531383 892680526 /nfs/dbraw/zinc/68/05/26/892680526.db2.gz QIGZEQKDEMIQSB-GOSISDBHSA-N 2 1 312.417 1.586 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001278511316 893781757 /nfs/dbraw/zinc/78/17/57/893781757.db2.gz TUJHPQGEHSVCQG-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001278511316 893781767 /nfs/dbraw/zinc/78/17/67/893781767.db2.gz TUJHPQGEHSVCQG-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001278511316 893781781 /nfs/dbraw/zinc/78/17/81/893781781.db2.gz TUJHPQGEHSVCQG-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001278693661 895615129 /nfs/dbraw/zinc/61/51/29/895615129.db2.gz PIBVSYJLUXDHAX-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001278693661 895615139 /nfs/dbraw/zinc/61/51/39/895615139.db2.gz PIBVSYJLUXDHAX-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001278693661 895615153 /nfs/dbraw/zinc/61/51/53/895615153.db2.gz PIBVSYJLUXDHAX-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001278693661 895615168 /nfs/dbraw/zinc/61/51/68/895615168.db2.gz PIBVSYJLUXDHAX-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP CC[NH+](CC)C[C@@H](O)CNc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001253179753 895686559 /nfs/dbraw/zinc/68/65/59/895686559.db2.gz RZNLLTANPUSXDT-LBPRGKRZSA-N 2 1 322.478 1.722 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001278703388 895724794 /nfs/dbraw/zinc/72/47/94/895724794.db2.gz HJYMEBSRPHWHJL-CHWSQXEVSA-N 2 1 319.371 1.186 20 30 DDEDMP C[C@@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001367825465 897932141 /nfs/dbraw/zinc/93/21/41/897932141.db2.gz FTSKXMAHSAYIHV-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001367825465 897932151 /nfs/dbraw/zinc/93/21/51/897932151.db2.gz FTSKXMAHSAYIHV-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265319647 901881601 /nfs/dbraw/zinc/88/16/01/901881601.db2.gz OZIPJGPWWUTKCX-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265319647 901881613 /nfs/dbraw/zinc/88/16/13/901881613.db2.gz OZIPJGPWWUTKCX-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001265647547 902247315 /nfs/dbraw/zinc/24/73/15/902247315.db2.gz QBWPDEYZUQPVPG-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265647547 902247332 /nfs/dbraw/zinc/24/73/32/902247332.db2.gz QBWPDEYZUQPVPG-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001265647547 902247345 /nfs/dbraw/zinc/24/73/45/902247345.db2.gz QBWPDEYZUQPVPG-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001265707676 902326209 /nfs/dbraw/zinc/32/62/09/902326209.db2.gz DMZYDTNEMWBPBY-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1F ZINC001265786642 902408541 /nfs/dbraw/zinc/40/85/41/902408541.db2.gz RMKNSUWCGVMMLY-YOEHRIQHSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1F ZINC001265786642 902408548 /nfs/dbraw/zinc/40/85/48/902408548.db2.gz RMKNSUWCGVMMLY-YOEHRIQHSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CCC[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265981359 902698895 /nfs/dbraw/zinc/69/88/95/902698895.db2.gz PQZNFGOTPHTIDG-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CCC[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265981359 902698899 /nfs/dbraw/zinc/69/88/99/902698899.db2.gz PQZNFGOTPHTIDG-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001281193342 904548309 /nfs/dbraw/zinc/54/83/09/904548309.db2.gz RNXAOJOJHTVYEB-WMZOPIPTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001281782583 905217331 /nfs/dbraw/zinc/21/73/31/905217331.db2.gz OLUPWZFZMPCDBQ-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001281782583 905217341 /nfs/dbraw/zinc/21/73/41/905217341.db2.gz OLUPWZFZMPCDBQ-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001281782583 905217349 /nfs/dbraw/zinc/21/73/49/905217349.db2.gz OLUPWZFZMPCDBQ-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001392956226 905795154 /nfs/dbraw/zinc/79/51/54/905795154.db2.gz DPIUXBWDISFKOO-LLVKDONJSA-N 2 1 316.243 1.085 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001392956226 905795168 /nfs/dbraw/zinc/79/51/68/905795168.db2.gz DPIUXBWDISFKOO-LLVKDONJSA-N 2 1 316.243 1.085 20 30 DDEDMP C=CCOCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001282660955 905926478 /nfs/dbraw/zinc/92/64/78/905926478.db2.gz FUOFXIFETOKWBR-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282660955 905926489 /nfs/dbraw/zinc/92/64/89/905926489.db2.gz FUOFXIFETOKWBR-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282660955 905926503 /nfs/dbraw/zinc/92/65/03/905926503.db2.gz FUOFXIFETOKWBR-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282834933 906085747 /nfs/dbraw/zinc/08/57/47/906085747.db2.gz XAMSUWVMZUFIKW-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001316622637 906130864 /nfs/dbraw/zinc/13/08/64/906130864.db2.gz CDRMQZITOGWQSZ-JQHSSLGASA-N 2 1 313.445 1.797 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@@H]12 ZINC001284056724 908408408 /nfs/dbraw/zinc/40/84/08/908408408.db2.gz INBFYNQLODXMHK-LZLYRXPVSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001284434844 908995981 /nfs/dbraw/zinc/99/59/81/908995981.db2.gz ANRCGEMFBQGASQ-IRXDYDNUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCOC ZINC001284657870 909307731 /nfs/dbraw/zinc/30/77/31/909307731.db2.gz MKXIHKHLELRFAC-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCOC ZINC001284657870 909307745 /nfs/dbraw/zinc/30/77/45/909307745.db2.gz MKXIHKHLELRFAC-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCOC ZINC001284657870 909307761 /nfs/dbraw/zinc/30/77/61/909307761.db2.gz MKXIHKHLELRFAC-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001284920675 909736548 /nfs/dbraw/zinc/73/65/48/909736548.db2.gz JNPYHJPGNOEBSQ-INIZCTEOSA-N 2 1 309.429 1.438 20 30 DDEDMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC001397250992 915562189 /nfs/dbraw/zinc/56/21/89/915562189.db2.gz IDLXHOUWFVJBDO-DOMZBBRYSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC001397250992 915562206 /nfs/dbraw/zinc/56/22/06/915562206.db2.gz IDLXHOUWFVJBDO-DOMZBBRYSA-N 2 1 320.462 1.650 20 30 DDEDMP C=C(Cl)C[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001377182639 920563346 /nfs/dbraw/zinc/56/33/46/920563346.db2.gz YIBGQTDBPLRQGH-OAHLLOKOSA-N 2 1 317.861 1.022 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329286863 282214950 /nfs/dbraw/zinc/21/49/50/282214950.db2.gz HAKCXWSRGWGPBN-OCCSQVGLSA-N 2 1 305.426 1.568 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329286863 282214955 /nfs/dbraw/zinc/21/49/55/282214955.db2.gz HAKCXWSRGWGPBN-OCCSQVGLSA-N 2 1 305.426 1.568 20 30 DDEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437736 356214043 /nfs/dbraw/zinc/21/40/43/356214043.db2.gz DVKMWXRQHJIBGV-JKSUJKDBSA-N 2 1 306.454 1.588 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000081396290 192259402 /nfs/dbraw/zinc/25/94/02/192259402.db2.gz CRNWYPNPLQDQOO-JKSUJKDBSA-N 2 1 309.454 1.132 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000081396290 192259405 /nfs/dbraw/zinc/25/94/05/192259405.db2.gz CRNWYPNPLQDQOO-JKSUJKDBSA-N 2 1 309.454 1.132 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000596423784 356874444 /nfs/dbraw/zinc/87/44/44/356874444.db2.gz BUKFODXROGIJKS-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000596423784 356874447 /nfs/dbraw/zinc/87/44/47/356874447.db2.gz BUKFODXROGIJKS-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599315486 357889739 /nfs/dbraw/zinc/88/97/39/357889739.db2.gz ILLBOOUXAIYQLW-INIZCTEOSA-N 2 1 309.454 1.474 20 30 DDEDMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599315486 357889742 /nfs/dbraw/zinc/88/97/42/357889742.db2.gz ILLBOOUXAIYQLW-INIZCTEOSA-N 2 1 309.454 1.474 20 30 DDEDMP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C1=CC[N@@H+](C)CC1 ZINC000600733815 358300033 /nfs/dbraw/zinc/30/00/33/358300033.db2.gz FLNYPFUOPJVQRZ-WMLDXEAASA-N 2 1 315.417 1.538 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+]([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000602878546 359262479 /nfs/dbraw/zinc/26/24/79/359262479.db2.gz YKRJDQCZUPXMTI-MRXNPFEDSA-N 2 1 312.417 1.502 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000610994012 360594654 /nfs/dbraw/zinc/59/46/54/360594654.db2.gz RAMRQGQEWGQLGC-SFHVURJKSA-N 2 1 313.449 1.554 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)CC1 ZINC000610994012 360594661 /nfs/dbraw/zinc/59/46/61/360594661.db2.gz RAMRQGQEWGQLGC-SFHVURJKSA-N 2 1 313.449 1.554 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC2=CC[N@@H+](C)CC2)CC1 ZINC000271784226 209212105 /nfs/dbraw/zinc/21/21/05/209212105.db2.gz CDOINZVMAPQXMY-UHFFFAOYSA-N 2 1 306.454 1.588 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000052208543 407148790 /nfs/dbraw/zinc/14/87/90/407148790.db2.gz STISRLMCHNXLCR-UHFFFAOYSA-N 2 1 324.469 1.442 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000114480531 407582291 /nfs/dbraw/zinc/58/22/91/407582291.db2.gz SAGZFEHZLZPHEE-OAHLLOKOSA-N 2 1 300.406 1.770 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000170911199 407550770 /nfs/dbraw/zinc/55/07/70/407550770.db2.gz YIQJBCUCDLUCLF-JKSUJKDBSA-N 2 1 320.412 1.308 20 30 DDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171386578 407677588 /nfs/dbraw/zinc/67/75/88/407677588.db2.gz IPKSJHMLJNHQNS-MRXNPFEDSA-N 2 1 320.481 1.802 20 30 DDEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268810016 408201740 /nfs/dbraw/zinc/20/17/40/408201740.db2.gz DOFKOLKMTDJIBF-RDJZCZTQSA-N 2 1 302.418 1.806 20 30 DDEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268810012 408202367 /nfs/dbraw/zinc/20/23/67/408202367.db2.gz DOFKOLKMTDJIBF-DOTOQJQBSA-N 2 1 302.418 1.806 20 30 DDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233963 409005912 /nfs/dbraw/zinc/00/59/12/409005912.db2.gz WCTVYAQKOLCFQK-FUHWJXTLSA-N 2 1 315.417 1.326 20 30 DDEDMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233963 409005916 /nfs/dbraw/zinc/00/59/16/409005916.db2.gz WCTVYAQKOLCFQK-FUHWJXTLSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233963 409005920 /nfs/dbraw/zinc/00/59/20/409005920.db2.gz WCTVYAQKOLCFQK-FUHWJXTLSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233963 409005923 /nfs/dbraw/zinc/00/59/23/409005923.db2.gz WCTVYAQKOLCFQK-FUHWJXTLSA-N 2 1 315.417 1.326 20 30 DDEDMP C#CCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282375133 409042686 /nfs/dbraw/zinc/04/26/86/409042686.db2.gz ODPSLMNVDTZNMF-UHFFFAOYSA-N 2 1 315.461 1.814 20 30 DDEDMP C[C@H]1Oc2ccccc2[C@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000288641204 409172147 /nfs/dbraw/zinc/17/21/47/409172147.db2.gz CSDYZJKEZGQZJU-CJNGLKHVSA-N 2 1 318.421 1.135 20 30 DDEDMP CC(C)CCNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304775731 409646393 /nfs/dbraw/zinc/64/63/93/409646393.db2.gz COTJQXLJYUPJNS-UHFFFAOYSA-N 2 1 323.529 1.887 20 30 DDEDMP C=CCC[C@@H](O)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188265256 222010829 /nfs/dbraw/zinc/01/08/29/222010829.db2.gz CSELCKJJVFYQDD-RTBURBONSA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188265256 222010832 /nfs/dbraw/zinc/01/08/32/222010832.db2.gz CSELCKJJVFYQDD-RTBURBONSA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188265256 222010834 /nfs/dbraw/zinc/01/08/34/222010834.db2.gz CSELCKJJVFYQDD-RTBURBONSA-N 2 1 318.461 1.882 20 30 DDEDMP C=C(Cl)CNC(=[NH+]CC)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261867675 222260563 /nfs/dbraw/zinc/26/05/63/222260563.db2.gz ZFVQPVDLPBWIIY-AWEZNQCLSA-N 2 1 314.861 1.359 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261944836 222262394 /nfs/dbraw/zinc/26/23/94/222262394.db2.gz FMDGRJZXKDUEKR-ILXRZTDVSA-N 2 1 306.458 1.292 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccco1)N(C)C ZINC000264106061 222317684 /nfs/dbraw/zinc/31/76/84/222317684.db2.gz NSQVGACEZQPTRS-UONOGXRCSA-N 2 1 307.442 1.271 20 30 DDEDMP C#CCCN1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000368114853 418691681 /nfs/dbraw/zinc/69/16/81/418691681.db2.gz JYLFUVYJIAHKMV-KRWDZBQOSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000363147503 418763362 /nfs/dbraw/zinc/76/33/62/418763362.db2.gz VRZQIZJGKPTSIG-INIZCTEOSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527768943 421440241 /nfs/dbraw/zinc/44/02/41/421440241.db2.gz UICHHPMPICRGCC-QGZVFWFLSA-N 2 1 320.481 1.953 20 30 DDEDMP C=CCCOCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634709473 422570928 /nfs/dbraw/zinc/57/09/28/422570928.db2.gz JQDHKMXBFTZLIH-GOSISDBHSA-N 2 1 304.434 1.806 20 30 DDEDMP C=CCCOCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709473 422570934 /nfs/dbraw/zinc/57/09/34/422570934.db2.gz JQDHKMXBFTZLIH-GOSISDBHSA-N 2 1 304.434 1.806 20 30 DDEDMP C=CC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000665757506 423814748 /nfs/dbraw/zinc/81/47/48/423814748.db2.gz MHIOBOGBTOPKSJ-HNNXBMFYSA-N 2 1 310.486 1.866 20 30 DDEDMP C=CC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000665757506 423814758 /nfs/dbraw/zinc/81/47/58/423814758.db2.gz MHIOBOGBTOPKSJ-HNNXBMFYSA-N 2 1 310.486 1.866 20 30 DDEDMP C[C@](C#N)(NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CC1 ZINC000047969706 337431872 /nfs/dbraw/zinc/43/18/72/337431872.db2.gz CIIQAIJOXOQZKL-GOSISDBHSA-N 2 1 318.465 1.603 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000174776933 340395864 /nfs/dbraw/zinc/39/58/64/340395864.db2.gz JUUUMGQOIBGZCC-GOEBONIOSA-N 2 1 308.470 1.761 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000491790473 526818333 /nfs/dbraw/zinc/81/83/33/526818333.db2.gz ZIPPUXRFZWDELH-OAHLLOKOSA-N 2 1 310.486 1.607 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972409025 695242245 /nfs/dbraw/zinc/24/22/45/695242245.db2.gz NHNMDBMRVQOOOC-GOSISDBHSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972409025 695242247 /nfs/dbraw/zinc/24/22/47/695242247.db2.gz NHNMDBMRVQOOOC-GOSISDBHSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972409025 695242250 /nfs/dbraw/zinc/24/22/50/695242250.db2.gz NHNMDBMRVQOOOC-GOSISDBHSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972436728 695251166 /nfs/dbraw/zinc/25/11/66/695251166.db2.gz CSIJAMFCARILHQ-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972436728 695251168 /nfs/dbraw/zinc/25/11/68/695251168.db2.gz CSIJAMFCARILHQ-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000972436728 695251170 /nfs/dbraw/zinc/25/11/70/695251170.db2.gz CSIJAMFCARILHQ-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553075 695280740 /nfs/dbraw/zinc/28/07/40/695280740.db2.gz YBFCMCVNYRZKQW-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553075 695280742 /nfs/dbraw/zinc/28/07/42/695280742.db2.gz YBFCMCVNYRZKQW-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553075 695280743 /nfs/dbraw/zinc/28/07/43/695280743.db2.gz YBFCMCVNYRZKQW-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)CC2(C)C)CC1 ZINC000977655417 696246065 /nfs/dbraw/zinc/24/60/65/696246065.db2.gz OJVWBQQUOCXLGR-QGZVFWFLSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978324350 696364616 /nfs/dbraw/zinc/36/46/16/696364616.db2.gz XANPUKXTKMMFNH-OSYLJGHBSA-N 2 1 315.461 1.180 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978614939 696424013 /nfs/dbraw/zinc/42/40/13/696424013.db2.gz LNLFSPWWEFZVEW-TVFCKZIOSA-N 2 1 317.477 1.426 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978614939 696424015 /nfs/dbraw/zinc/42/40/15/696424015.db2.gz LNLFSPWWEFZVEW-TVFCKZIOSA-N 2 1 317.477 1.426 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978614939 696424016 /nfs/dbraw/zinc/42/40/16/696424016.db2.gz LNLFSPWWEFZVEW-TVFCKZIOSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438021 697097058 /nfs/dbraw/zinc/09/70/58/697097058.db2.gz IISIPCLKGMTOSG-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438021 697097061 /nfs/dbraw/zinc/09/70/61/697097061.db2.gz IISIPCLKGMTOSG-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438021 697097064 /nfs/dbraw/zinc/09/70/64/697097064.db2.gz IISIPCLKGMTOSG-IAGOWNOFSA-N 2 1 303.450 1.561 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000160119846 697315092 /nfs/dbraw/zinc/31/50/92/697315092.db2.gz JYGCCTMYRACAHL-JKSUJKDBSA-N 2 1 320.485 1.682 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC(=C)C)CC2)CC1 ZINC000985805126 697577309 /nfs/dbraw/zinc/57/73/09/697577309.db2.gz UFHSKMMNDYYKMP-UHFFFAOYSA-N 2 1 317.477 1.831 20 30 DDEDMP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000237575258 697810592 /nfs/dbraw/zinc/81/05/92/697810592.db2.gz GPLQAZOMNZNGNZ-ZBFHGGJFSA-N 2 1 303.406 1.524 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000303769834 698605611 /nfs/dbraw/zinc/60/56/11/698605611.db2.gz BEZSSFPDODYNAU-JKSUJKDBSA-N 3 1 309.502 1.495 20 30 DDEDMP CC(C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000303891253 698610046 /nfs/dbraw/zinc/61/00/46/698610046.db2.gz QMOJTXLWVQTEQX-CQSZACIVSA-N 2 1 304.438 1.720 20 30 DDEDMP CC(C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000303891253 698610048 /nfs/dbraw/zinc/61/00/48/698610048.db2.gz QMOJTXLWVQTEQX-CQSZACIVSA-N 2 1 304.438 1.720 20 30 DDEDMP C[C@@H]1CCC[C@@H](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304507722 698622133 /nfs/dbraw/zinc/62/21/33/698622133.db2.gz STYYFKACOGKPLX-CVEARBPZSA-N 2 1 310.486 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CCC=C)CC2)CC1 ZINC000989734833 698745489 /nfs/dbraw/zinc/74/54/89/698745489.db2.gz GIQWVHXEGLVDOX-UHFFFAOYSA-N 2 1 303.450 1.442 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000801936872 700357735 /nfs/dbraw/zinc/35/77/35/700357735.db2.gz YAICXYJARYVWPI-VPSFDDGASA-N 2 1 306.454 1.158 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000801936872 700357739 /nfs/dbraw/zinc/35/77/39/700357739.db2.gz YAICXYJARYVWPI-VPSFDDGASA-N 2 1 306.454 1.158 20 30 DDEDMP C#CCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000766901321 701069696 /nfs/dbraw/zinc/06/96/96/701069696.db2.gz WVCZSGXHSBJIBX-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000803730095 701138824 /nfs/dbraw/zinc/13/88/24/701138824.db2.gz UDZYKOUNECYZCE-QGZVFWFLSA-N 2 1 301.434 1.490 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000803730095 701138826 /nfs/dbraw/zinc/13/88/26/701138826.db2.gz UDZYKOUNECYZCE-QGZVFWFLSA-N 2 1 301.434 1.490 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000807261543 701471692 /nfs/dbraw/zinc/47/16/92/701471692.db2.gz DDDCOKDMIRJRJF-NJAFHUGGSA-N 2 1 313.445 1.892 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000807261543 701471693 /nfs/dbraw/zinc/47/16/93/701471693.db2.gz DDDCOKDMIRJRJF-NJAFHUGGSA-N 2 1 313.445 1.892 20 30 DDEDMP N#CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000848535264 703561545 /nfs/dbraw/zinc/56/15/45/703561545.db2.gz XUGZADXEHSYAGK-QGZVFWFLSA-N 2 1 315.417 1.932 20 30 DDEDMP C[NH+](C)[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1cccc(Cl)c1 ZINC000834484432 707066609 /nfs/dbraw/zinc/06/66/09/707066609.db2.gz ITVBNWANFMMSDC-YUTCNCBUSA-N 2 1 306.797 1.170 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000876727857 705843130 /nfs/dbraw/zinc/84/31/30/705843130.db2.gz UBFBFEZHJWSDHU-KDOFPFPSSA-N 2 1 324.428 1.346 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000876941323 705932235 /nfs/dbraw/zinc/93/22/35/705932235.db2.gz KHALACKGBVYJOL-KBPBESRZSA-N 2 1 317.861 1.416 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000876941323 705932237 /nfs/dbraw/zinc/93/22/37/705932237.db2.gz KHALACKGBVYJOL-KBPBESRZSA-N 2 1 317.861 1.416 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000884177365 708173803 /nfs/dbraw/zinc/17/38/03/708173803.db2.gz HRNAKZNOAZIRFZ-MGNMYUMUSA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000884177365 708173806 /nfs/dbraw/zinc/17/38/06/708173806.db2.gz HRNAKZNOAZIRFZ-MGNMYUMUSA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000884177365 708173809 /nfs/dbraw/zinc/17/38/09/708173809.db2.gz HRNAKZNOAZIRFZ-MGNMYUMUSA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000884177365 708173811 /nfs/dbraw/zinc/17/38/11/708173811.db2.gz HRNAKZNOAZIRFZ-MGNMYUMUSA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000884177365 708173815 /nfs/dbraw/zinc/17/38/15/708173815.db2.gz HRNAKZNOAZIRFZ-MGNMYUMUSA-N 2 1 318.465 1.399 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000884199244 708185059 /nfs/dbraw/zinc/18/50/59/708185059.db2.gz UDHMXXOWCGVWFK-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000884199244 708185061 /nfs/dbraw/zinc/18/50/61/708185061.db2.gz UDHMXXOWCGVWFK-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884221397 708196836 /nfs/dbraw/zinc/19/68/36/708196836.db2.gz QZURHHXOABFKOB-LPMVOBIJSA-N 2 1 318.465 1.506 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000884311491 708238215 /nfs/dbraw/zinc/23/82/15/708238215.db2.gz DBHIYAHMVNPNEL-GTPINHCMSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000884311491 708238219 /nfs/dbraw/zinc/23/82/19/708238219.db2.gz DBHIYAHMVNPNEL-GTPINHCMSA-N 2 1 318.465 1.400 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886030290 708684946 /nfs/dbraw/zinc/68/49/46/708684946.db2.gz ISHMOHOTXULJKY-DLBZAZTESA-N 2 1 323.481 1.864 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000890376959 709846255 /nfs/dbraw/zinc/84/62/55/709846255.db2.gz DODFKAVOZGKXJQ-QGZVFWFLSA-N 2 1 314.433 1.967 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000890376959 709846257 /nfs/dbraw/zinc/84/62/57/709846257.db2.gz DODFKAVOZGKXJQ-QGZVFWFLSA-N 2 1 314.433 1.967 20 30 DDEDMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(C#N)ccn1 ZINC000902793942 710902497 /nfs/dbraw/zinc/90/24/97/710902497.db2.gz OYWSJUDITJJPQW-HNNXBMFYSA-N 2 1 315.465 1.877 20 30 DDEDMP N#CC1CCC(C[N@@H+]2CC[C@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000903476426 711138143 /nfs/dbraw/zinc/13/81/43/711138143.db2.gz WOOAGMVJAIPSNP-SVXVCFNTSA-N 2 1 318.421 1.183 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000928656146 713254305 /nfs/dbraw/zinc/25/43/05/713254305.db2.gz MSKMIACZQJAJHD-INIZCTEOSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000905461275 712043732 /nfs/dbraw/zinc/04/37/32/712043732.db2.gz PNTYFEIOVZFFBI-OALUTQOASA-N 2 1 315.461 1.167 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000905461275 712043734 /nfs/dbraw/zinc/04/37/34/712043734.db2.gz PNTYFEIOVZFFBI-OALUTQOASA-N 2 1 315.461 1.167 20 30 DDEDMP C#C[C@H]1CCC[N@H+]([C@H](C)CNC(=O)CN2CCC[C@@H](C#C)C2)C1 ZINC000930886126 713949874 /nfs/dbraw/zinc/94/98/74/713949874.db2.gz RDXIUOJJOPLSMP-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@H]1CCC[NH+]([C@H](C)CNC(=O)C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886126 713949877 /nfs/dbraw/zinc/94/98/77/713949877.db2.gz RDXIUOJJOPLSMP-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@H]1CCC[NH+]([C@H](C)CNC(=O)C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000930886126 713949879 /nfs/dbraw/zinc/94/98/79/713949879.db2.gz RDXIUOJJOPLSMP-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@H]1CCC[N@@H+]([C@H](C)CNC(=O)C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000930886126 713949883 /nfs/dbraw/zinc/94/98/83/713949883.db2.gz RDXIUOJJOPLSMP-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#C[C@H]1CCC[N@H+]([C@H](C)CNC(=O)C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000930886126 713949887 /nfs/dbraw/zinc/94/98/87/713949887.db2.gz RDXIUOJJOPLSMP-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000922256715 714004219 /nfs/dbraw/zinc/00/42/19/714004219.db2.gz OFGQKVAUTUMQSK-INIZCTEOSA-N 2 1 320.481 1.504 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281589 714296069 /nfs/dbraw/zinc/29/60/69/714296069.db2.gz NKSGMTQGQYIKFN-QGZVFWFLSA-N 2 1 315.417 1.514 20 30 DDEDMP CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H]1CCC[NH2+]CC1 ZINC000923336066 714319413 /nfs/dbraw/zinc/31/94/13/714319413.db2.gz PVCIMTBEQPGWFA-DLBZAZTESA-N 2 1 317.433 1.762 20 30 DDEDMP C#CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)(C)C ZINC000932463341 714337423 /nfs/dbraw/zinc/33/74/23/714337423.db2.gz BJIRTXOIJKJVDH-INIZCTEOSA-N 2 1 323.481 1.193 20 30 DDEDMP C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000923421664 714350735 /nfs/dbraw/zinc/35/07/35/714350735.db2.gz HKSPPUAQMQBAJE-INIZCTEOSA-N 2 1 317.433 1.891 20 30 DDEDMP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000923421664 714350738 /nfs/dbraw/zinc/35/07/38/714350738.db2.gz HKSPPUAQMQBAJE-INIZCTEOSA-N 2 1 317.433 1.891 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC000964143098 718010276 /nfs/dbraw/zinc/01/02/76/718010276.db2.gz JIVHXTAMQQIBIE-UHFFFAOYSA-N 2 1 318.421 1.553 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000926241293 715034486 /nfs/dbraw/zinc/03/44/86/715034486.db2.gz CRXHYTUAHBTCTP-XLMAVXFVSA-N 2 1 323.481 1.090 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000961267104 716888170 /nfs/dbraw/zinc/88/81/70/716888170.db2.gz XLHGGUMUVYELPH-CABCVRRESA-N 2 1 300.406 1.146 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863933 717000378 /nfs/dbraw/zinc/00/03/78/717000378.db2.gz IIVCEYXPNRMZOD-HNNXBMFYSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940942111 717041512 /nfs/dbraw/zinc/04/15/12/717041512.db2.gz AZHCXUHPODRYEB-HNNXBMFYSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980291 717059326 /nfs/dbraw/zinc/05/93/26/717059326.db2.gz QQZWSBFLENBUEK-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980291 717059332 /nfs/dbraw/zinc/05/93/32/717059332.db2.gz QQZWSBFLENBUEK-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980291 717059339 /nfs/dbraw/zinc/05/93/39/717059339.db2.gz QQZWSBFLENBUEK-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC000961940979 717256470 /nfs/dbraw/zinc/25/64/70/717256470.db2.gz SFJJXWUQXPKENT-JCYILVPMSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCC2)C1 ZINC000961940979 717256477 /nfs/dbraw/zinc/25/64/77/717256477.db2.gz SFJJXWUQXPKENT-JCYILVPMSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000962941240 717634404 /nfs/dbraw/zinc/63/44/04/717634404.db2.gz CTAAUWTWLDQJOH-QLPKVWCKSA-N 2 1 315.417 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555982 717742362 /nfs/dbraw/zinc/74/23/62/717742362.db2.gz SPCXAXOYJWWEKK-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416989 717782103 /nfs/dbraw/zinc/78/21/03/717782103.db2.gz NAKPJBDYZSAFEA-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964566 718370712 /nfs/dbraw/zinc/37/07/12/718370712.db2.gz JQAADZDTUHJNPA-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964566 718370714 /nfs/dbraw/zinc/37/07/14/718370714.db2.gz JQAADZDTUHJNPA-ZBFHGGJFSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2C)CC1 ZINC000945181514 718416080 /nfs/dbraw/zinc/41/60/80/718416080.db2.gz NUFVOJCZYFXUTO-MAUKXSAKSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623713 718856550 /nfs/dbraw/zinc/85/65/50/718856550.db2.gz NTKMUVVZJRHJLJ-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374520 718860338 /nfs/dbraw/zinc/86/03/38/718860338.db2.gz CUPIZVKQQUQYES-RHSMWYFYSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374520 718860342 /nfs/dbraw/zinc/86/03/42/718860342.db2.gz CUPIZVKQQUQYES-RHSMWYFYSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708363 718975964 /nfs/dbraw/zinc/97/59/64/718975964.db2.gz RHHSUYSKXHELEV-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708363 718975965 /nfs/dbraw/zinc/97/59/65/718975965.db2.gz RHHSUYSKXHELEV-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947437296 719163326 /nfs/dbraw/zinc/16/33/26/719163326.db2.gz QHLYAPCJZFLRIU-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948474558 719518499 /nfs/dbraw/zinc/51/84/99/719518499.db2.gz WCMXNFSUDUEKMS-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000948593341 719569119 /nfs/dbraw/zinc/56/91/19/719569119.db2.gz DBLXQRJABVMJCM-MRXNPFEDSA-N 2 1 310.401 1.894 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)CC[C@H]2C)CC1 ZINC000968683121 719735154 /nfs/dbraw/zinc/73/51/54/719735154.db2.gz YQAVNYQMCFFFSF-SJLPKXTDSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326536 720711573 /nfs/dbraw/zinc/71/15/73/720711573.db2.gz UHMIRJWPXYXOLH-GOEBONIOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326536 720711575 /nfs/dbraw/zinc/71/15/75/720711575.db2.gz UHMIRJWPXYXOLH-GOEBONIOSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338360 720718310 /nfs/dbraw/zinc/71/83/10/720718310.db2.gz LNFMQQIVHVXXSG-ZFWWWQNUSA-N 2 1 314.433 1.214 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000970722162 720909143 /nfs/dbraw/zinc/90/91/43/720909143.db2.gz WXKVLAGFLSMWRT-QGZVFWFLSA-N 2 1 323.400 1.454 20 30 DDEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120878987 782205821 /nfs/dbraw/zinc/20/58/21/782205821.db2.gz PIUCYXOXSCEEJY-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120878987 782205829 /nfs/dbraw/zinc/20/58/29/782205829.db2.gz PIUCYXOXSCEEJY-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001027687523 738548105 /nfs/dbraw/zinc/54/81/05/738548105.db2.gz PHPUVOOQNSHHDT-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001027687523 738548107 /nfs/dbraw/zinc/54/81/07/738548107.db2.gz PHPUVOOQNSHHDT-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001027687523 738548112 /nfs/dbraw/zinc/54/81/12/738548112.db2.gz PHPUVOOQNSHHDT-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027687523 738548115 /nfs/dbraw/zinc/54/81/15/738548115.db2.gz PHPUVOOQNSHHDT-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027687523 738548119 /nfs/dbraw/zinc/54/81/19/738548119.db2.gz PHPUVOOQNSHHDT-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663732 733417211 /nfs/dbraw/zinc/41/72/11/733417211.db2.gz DRQDEPQGSDRIPY-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737514 733497936 /nfs/dbraw/zinc/49/79/36/733497936.db2.gz VBGJWYIFAABSHT-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737514 733497940 /nfs/dbraw/zinc/49/79/40/733497940.db2.gz VBGJWYIFAABSHT-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001021896098 733648576 /nfs/dbraw/zinc/64/85/76/733648576.db2.gz URAICTCSUMJWFD-ZOWXZIJZSA-N 2 1 318.446 1.451 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001022220535 734438988 /nfs/dbraw/zinc/43/89/88/734438988.db2.gz IRNCZHIZSXRNOW-KSZLIROESA-N 2 1 311.429 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001022220535 734438995 /nfs/dbraw/zinc/43/89/95/734438995.db2.gz IRNCZHIZSXRNOW-KSZLIROESA-N 2 1 311.429 1.521 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@H](C)O2 ZINC001098572077 734878328 /nfs/dbraw/zinc/87/83/28/734878328.db2.gz VOYVZIJWYRRJLL-JKSUJKDBSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023452369 735245549 /nfs/dbraw/zinc/24/55/49/735245549.db2.gz YKXVQAMUSTWFCD-MRXNPFEDSA-N 2 1 303.450 1.324 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001087317854 736079228 /nfs/dbraw/zinc/07/92/28/736079228.db2.gz NXTVUZVEQSASBJ-DJIMGWMZSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001024814778 736106128 /nfs/dbraw/zinc/10/61/28/736106128.db2.gz XTVBNNYEAQBZFL-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024814778 736106130 /nfs/dbraw/zinc/10/61/30/736106130.db2.gz XTVBNNYEAQBZFL-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024814778 736106132 /nfs/dbraw/zinc/10/61/32/736106132.db2.gz XTVBNNYEAQBZFL-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024814778 736106134 /nfs/dbraw/zinc/10/61/34/736106134.db2.gz XTVBNNYEAQBZFL-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC=C)CC1 ZINC001024811836 736107735 /nfs/dbraw/zinc/10/77/35/736107735.db2.gz AXNZHCYXSSNLBO-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001024813279 736108372 /nfs/dbraw/zinc/10/83/72/736108372.db2.gz YCJIHHAZZLZZFD-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024813279 736108375 /nfs/dbraw/zinc/10/83/75/736108375.db2.gz YCJIHHAZZLZZFD-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001024813279 736108378 /nfs/dbraw/zinc/10/83/78/736108378.db2.gz YCJIHHAZZLZZFD-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001025630083 736796276 /nfs/dbraw/zinc/79/62/76/736796276.db2.gz OUQKOWVUKKMKHH-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781484 736851757 /nfs/dbraw/zinc/85/17/57/736851757.db2.gz FXEMNYBVVJRASC-MTSZKFMLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781484 736851758 /nfs/dbraw/zinc/85/17/58/736851758.db2.gz FXEMNYBVVJRASC-MTSZKFMLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781484 736851760 /nfs/dbraw/zinc/85/17/60/736851760.db2.gz FXEMNYBVVJRASC-MTSZKFMLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001026148666 737146727 /nfs/dbraw/zinc/14/67/27/737146727.db2.gz ZVEIJHJSKBZNLA-YXISZKLHSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]12 ZINC001026361094 737419618 /nfs/dbraw/zinc/41/96/18/737419618.db2.gz OGVYQTXBZZPERD-BZUAXINKSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001027447130 738299943 /nfs/dbraw/zinc/29/99/43/738299943.db2.gz BHCZYQIYQMGBNA-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001027447130 738299945 /nfs/dbraw/zinc/29/99/45/738299945.db2.gz BHCZYQIYQMGBNA-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001027447130 738299948 /nfs/dbraw/zinc/29/99/48/738299948.db2.gz BHCZYQIYQMGBNA-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(C)C)C1 ZINC001027447130 738299950 /nfs/dbraw/zinc/29/99/50/738299950.db2.gz BHCZYQIYQMGBNA-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(C)C)C1 ZINC001027447130 738299952 /nfs/dbraw/zinc/29/99/52/738299952.db2.gz BHCZYQIYQMGBNA-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001027470105 738327000 /nfs/dbraw/zinc/32/70/00/738327000.db2.gz JKCDHQVDQVCCEM-GOEBONIOSA-N 2 1 302.422 1.554 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027547117 738394846 /nfs/dbraw/zinc/39/48/46/738394846.db2.gz WHVBMYQJSWREER-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027547117 738394850 /nfs/dbraw/zinc/39/48/50/738394850.db2.gz WHVBMYQJSWREER-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137071 739081762 /nfs/dbraw/zinc/08/17/62/739081762.db2.gz DEIHHLDPOTZCCH-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137071 739081766 /nfs/dbraw/zinc/08/17/66/739081766.db2.gz DEIHHLDPOTZCCH-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542351 739648159 /nfs/dbraw/zinc/64/81/59/739648159.db2.gz OHIUWLHRBQITFT-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542351 739648162 /nfs/dbraw/zinc/64/81/62/739648162.db2.gz OHIUWLHRBQITFT-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542351 739648164 /nfs/dbraw/zinc/64/81/64/739648164.db2.gz OHIUWLHRBQITFT-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(Cl)CN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028762960 740007338 /nfs/dbraw/zinc/00/73/38/740007338.db2.gz XFICRULFCXEHNV-ZNMIVQPWSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001028762960 740007341 /nfs/dbraw/zinc/00/73/41/740007341.db2.gz XFICRULFCXEHNV-ZNMIVQPWSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001028762960 740007344 /nfs/dbraw/zinc/00/73/44/740007344.db2.gz XFICRULFCXEHNV-ZNMIVQPWSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028762960 740007351 /nfs/dbraw/zinc/00/73/51/740007351.db2.gz XFICRULFCXEHNV-ZNMIVQPWSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001028762960 740007354 /nfs/dbraw/zinc/00/73/54/740007354.db2.gz XFICRULFCXEHNV-ZNMIVQPWSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630446 740683354 /nfs/dbraw/zinc/68/33/54/740683354.db2.gz JOJVSSIOQWNZLK-SOUVJXGZSA-N 2 1 300.406 1.048 20 30 DDEDMP C#CCN1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630446 740683356 /nfs/dbraw/zinc/68/33/56/740683356.db2.gz JOJVSSIOQWNZLK-SOUVJXGZSA-N 2 1 300.406 1.048 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640417 740691251 /nfs/dbraw/zinc/69/12/51/740691251.db2.gz BRVYUGKRLYWCPI-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700261 740712864 /nfs/dbraw/zinc/71/28/64/740712864.db2.gz GYURUDOYECUNIU-BBWFWOEESA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700261 740712865 /nfs/dbraw/zinc/71/28/65/740712865.db2.gz GYURUDOYECUNIU-BBWFWOEESA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700261 740712866 /nfs/dbraw/zinc/71/28/66/740712866.db2.gz GYURUDOYECUNIU-BBWFWOEESA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700261 740712867 /nfs/dbraw/zinc/71/28/67/740712867.db2.gz GYURUDOYECUNIU-BBWFWOEESA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700262 740713123 /nfs/dbraw/zinc/71/31/23/740713123.db2.gz GYURUDOYECUNIU-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700262 740713127 /nfs/dbraw/zinc/71/31/27/740713127.db2.gz GYURUDOYECUNIU-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700262 740713128 /nfs/dbraw/zinc/71/31/28/740713128.db2.gz GYURUDOYECUNIU-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700262 740713132 /nfs/dbraw/zinc/71/31/32/740713132.db2.gz GYURUDOYECUNIU-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986636 740926380 /nfs/dbraw/zinc/92/63/80/740926380.db2.gz UXAHTYMBYLUAFV-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986636 740926383 /nfs/dbraw/zinc/92/63/83/740926383.db2.gz UXAHTYMBYLUAFV-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986636 740926386 /nfs/dbraw/zinc/92/63/86/740926386.db2.gz UXAHTYMBYLUAFV-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088211652 741108071 /nfs/dbraw/zinc/10/80/71/741108071.db2.gz UIKSLQOQJMNGMI-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088211652 741108073 /nfs/dbraw/zinc/10/80/73/741108073.db2.gz UIKSLQOQJMNGMI-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC)CC1 ZINC001029597484 741131581 /nfs/dbraw/zinc/13/15/81/741131581.db2.gz UOFSRIJSAKWHIV-CALCHBBNSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001107982176 751647749 /nfs/dbraw/zinc/64/77/49/751647749.db2.gz QLVCEDOSSOTHSR-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107982176 751647753 /nfs/dbraw/zinc/64/77/53/751647753.db2.gz QLVCEDOSSOTHSR-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982176 751647757 /nfs/dbraw/zinc/64/77/57/751647757.db2.gz QLVCEDOSSOTHSR-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982176 751647761 /nfs/dbraw/zinc/64/77/61/751647761.db2.gz QLVCEDOSSOTHSR-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212036 741658477 /nfs/dbraw/zinc/65/84/77/741658477.db2.gz JSKKEFVDMWOIFB-CHWSQXEVSA-N 2 1 321.387 1.882 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC001076228644 742610621 /nfs/dbraw/zinc/61/06/21/742610621.db2.gz FRBAWSQFBXVSTR-OFQRWUPVSA-N 2 1 312.417 1.386 20 30 DDEDMP CC#CCN1C[C@@H]2CCN(C(=O)[C@H]3CCCc4nc[nH]c43)[C@@H]2C1 ZINC001076228644 742610623 /nfs/dbraw/zinc/61/06/23/742610623.db2.gz FRBAWSQFBXVSTR-OFQRWUPVSA-N 2 1 312.417 1.386 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035722660 751812906 /nfs/dbraw/zinc/81/29/06/751812906.db2.gz YRTBIBHAXJXTSQ-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)CC2 ZINC001035725523 751817564 /nfs/dbraw/zinc/81/75/64/751817564.db2.gz XCONPZCVTOYCQI-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001035734146 751827173 /nfs/dbraw/zinc/82/71/73/751827173.db2.gz PGMPAXMEUUBKRT-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)CC2 ZINC001035733423 751827322 /nfs/dbraw/zinc/82/73/22/751827322.db2.gz CAVPNEJKMFCWPO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182125056 743485204 /nfs/dbraw/zinc/48/52/04/743485204.db2.gz LVRNTCLNIDQJFV-RHSMWYFYSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035797173 751885036 /nfs/dbraw/zinc/88/50/36/751885036.db2.gz FBSPTBAPIJAFNH-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291348 744159370 /nfs/dbraw/zinc/15/93/70/744159370.db2.gz GZWFGCPATVXJPY-JZXOWHBKSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291348 744159371 /nfs/dbraw/zinc/15/93/71/744159371.db2.gz GZWFGCPATVXJPY-JZXOWHBKSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185171203 744170654 /nfs/dbraw/zinc/17/06/54/744170654.db2.gz USGHUSDULBCYAM-IRXDYDNUSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185548856 744245446 /nfs/dbraw/zinc/24/54/46/744245446.db2.gz OUOGIRVKXCIOGF-IRXDYDNUSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001185706584 744266634 /nfs/dbraw/zinc/26/66/34/744266634.db2.gz PIPIPJQNYCCPFS-GOSISDBHSA-N 2 1 313.445 1.375 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001188212271 744676514 /nfs/dbraw/zinc/67/65/14/744676514.db2.gz FDTYLIASVBPIOD-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212271 744676518 /nfs/dbraw/zinc/67/65/18/744676518.db2.gz FDTYLIASVBPIOD-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001188212271 744676519 /nfs/dbraw/zinc/67/65/19/744676519.db2.gz FDTYLIASVBPIOD-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159877 744836019 /nfs/dbraw/zinc/83/60/19/744836019.db2.gz PEQVKFKKYMAIOX-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159877 744836023 /nfs/dbraw/zinc/83/60/23/744836023.db2.gz PEQVKFKKYMAIOX-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189159877 744836027 /nfs/dbraw/zinc/83/60/27/744836027.db2.gz PEQVKFKKYMAIOX-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992405665 744858711 /nfs/dbraw/zinc/85/87/11/744858711.db2.gz HAVRCGZWUYFVDA-QAPCUYQASA-N 2 1 303.450 1.772 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC001192153025 745701904 /nfs/dbraw/zinc/70/19/04/745701904.db2.gz LADHACYLWHMQGH-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192436129 745790458 /nfs/dbraw/zinc/79/04/58/745790458.db2.gz TXJFZLGWDDOKRC-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001127356519 745808809 /nfs/dbraw/zinc/80/88/09/745808809.db2.gz FVXIFHGHYJGKNA-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001193098321 745976874 /nfs/dbraw/zinc/97/68/74/745976874.db2.gz FVHXZDUAQXSUJZ-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193098321 745976875 /nfs/dbraw/zinc/97/68/75/745976875.db2.gz FVHXZDUAQXSUJZ-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193098321 745976877 /nfs/dbraw/zinc/97/68/77/745976877.db2.gz FVHXZDUAQXSUJZ-QGZVFWFLSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001194246870 746320160 /nfs/dbraw/zinc/32/01/60/746320160.db2.gz SBGQOUYRVHXZLS-IRXDYDNUSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCC=C)CC1 ZINC001196191737 746787795 /nfs/dbraw/zinc/78/77/95/746787795.db2.gz LQNSBGCEHJLBJZ-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCC=C)CC1 ZINC001196191737 746787797 /nfs/dbraw/zinc/78/77/97/746787797.db2.gz LQNSBGCEHJLBJZ-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC=C)CC1 ZINC001196191737 746787799 /nfs/dbraw/zinc/78/77/99/746787799.db2.gz LQNSBGCEHJLBJZ-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCC=C)CC1 ZINC001196191737 746787801 /nfs/dbraw/zinc/78/78/01/746787801.db2.gz LQNSBGCEHJLBJZ-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477084 747036628 /nfs/dbraw/zinc/03/66/28/747036628.db2.gz LCAZBKRYDIAUDF-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477084 747036638 /nfs/dbraw/zinc/03/66/38/747036638.db2.gz LCAZBKRYDIAUDF-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC(C)(C)C1 ZINC001089477084 747036645 /nfs/dbraw/zinc/03/66/45/747036645.db2.gz LCAZBKRYDIAUDF-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)CC(C)(C)C1 ZINC001089528189 747159579 /nfs/dbraw/zinc/15/95/79/747159579.db2.gz HCYQOUFHXFCMLH-CQSZACIVSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723722 747251119 /nfs/dbraw/zinc/25/11/19/747251119.db2.gz JGCQAYTTXPHTED-IAGOWNOFSA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003630871 747337301 /nfs/dbraw/zinc/33/73/01/747337301.db2.gz ORKZRDJUIXSOFP-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001198113605 747385511 /nfs/dbraw/zinc/38/55/11/747385511.db2.gz XXOPBJQPPUFOTR-QGZVFWFLSA-N 2 1 323.481 1.455 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089722656 747700107 /nfs/dbraw/zinc/70/01/07/747700107.db2.gz CJMKXKGPQVOJCN-INIZCTEOSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099520218 748254575 /nfs/dbraw/zinc/25/45/75/748254575.db2.gz MCUUCYLKFIPPKE-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634923 748297922 /nfs/dbraw/zinc/29/79/22/748297922.db2.gz NTXDXTFFBHRNQE-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200721206 748328256 /nfs/dbraw/zinc/32/82/56/748328256.db2.gz JCOOEIDKPNMKAS-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400613 748498535 /nfs/dbraw/zinc/49/85/35/748498535.db2.gz SRDNXNRJANPQPG-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060454 748672382 /nfs/dbraw/zinc/67/23/82/748672382.db2.gz YGBZZPZBUFJLBU-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC001033211531 748942423 /nfs/dbraw/zinc/94/24/23/748942423.db2.gz JZIHIZUBTNULHT-CABCVRRESA-N 2 1 302.422 1.554 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001039298494 761918184 /nfs/dbraw/zinc/91/81/84/761918184.db2.gz ZFZCWXQMHOCXPT-XYTVBORESA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995827891 749250334 /nfs/dbraw/zinc/25/03/34/749250334.db2.gz XFFYERMBWSPVDC-LSDHHAIUSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996378420 749544324 /nfs/dbraw/zinc/54/43/24/749544324.db2.gz GQKIGSGOLVYZRL-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnccc2N(C)C)C1 ZINC001033584943 749590583 /nfs/dbraw/zinc/59/05/83/749590583.db2.gz CHTAYASACITJAJ-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033584943 749590590 /nfs/dbraw/zinc/59/05/90/749590590.db2.gz CHTAYASACITJAJ-CQSZACIVSA-N 2 1 302.422 1.870 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001005426427 750046033 /nfs/dbraw/zinc/04/60/33/750046033.db2.gz TWIGVJYRHMTJJJ-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785237 750057742 /nfs/dbraw/zinc/05/77/42/750057742.db2.gz HPQGOKBIQVTRHD-CVEARBPZSA-N 2 1 311.470 1.526 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107633747 750280811 /nfs/dbraw/zinc/28/08/11/750280811.db2.gz BHYSHGYYUYBRNX-NVXWUHKLSA-N 2 1 300.406 1.186 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107633747 750280815 /nfs/dbraw/zinc/28/08/15/750280815.db2.gz BHYSHGYYUYBRNX-NVXWUHKLSA-N 2 1 300.406 1.186 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001034045866 750312262 /nfs/dbraw/zinc/31/22/62/750312262.db2.gz OADHEAJOZCYBNX-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452343 762043151 /nfs/dbraw/zinc/04/31/51/762043151.db2.gz RIEMJSVTUGVENS-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452343 762043158 /nfs/dbraw/zinc/04/31/58/762043158.db2.gz RIEMJSVTUGVENS-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538149 750540136 /nfs/dbraw/zinc/54/01/36/750540136.db2.gz JMIJZPICDPCQBX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538149 750540139 /nfs/dbraw/zinc/54/01/39/750540139.db2.gz JMIJZPICDPCQBX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538149 750540142 /nfs/dbraw/zinc/54/01/42/750540142.db2.gz JMIJZPICDPCQBX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001034539095 750543294 /nfs/dbraw/zinc/54/32/94/750543294.db2.gz VIEKLMFVRQBPAR-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997277977 750728628 /nfs/dbraw/zinc/72/86/28/750728628.db2.gz CIMGQIUAMDERGY-JZXOWHBKSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000681918 762084532 /nfs/dbraw/zinc/08/45/32/762084532.db2.gz FYZVCFHDMNBACV-IRXDYDNUSA-N 2 1 301.434 1.242 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001000708630 762116554 /nfs/dbraw/zinc/11/65/54/762116554.db2.gz QSAUITIOBSJDBG-QGZVFWFLSA-N 2 1 303.450 1.653 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108420277 762119102 /nfs/dbraw/zinc/11/91/02/762119102.db2.gz ZZZLKPALGGWGKF-GOSISDBHSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001108420277 762119103 /nfs/dbraw/zinc/11/91/03/762119103.db2.gz ZZZLKPALGGWGKF-GOSISDBHSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998987601 752424660 /nfs/dbraw/zinc/42/46/60/752424660.db2.gz PAVQDFOPVXUESN-BLYZHGLHSA-N 2 1 315.845 1.037 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998987601 752424666 /nfs/dbraw/zinc/42/46/66/752424666.db2.gz PAVQDFOPVXUESN-BLYZHGLHSA-N 2 1 315.845 1.037 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008338638 752681635 /nfs/dbraw/zinc/68/16/35/752681635.db2.gz DXNYUPKAHUROGT-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008338638 752681640 /nfs/dbraw/zinc/68/16/40/752681640.db2.gz DXNYUPKAHUROGT-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000999291068 752792917 /nfs/dbraw/zinc/79/29/17/752792917.db2.gz ONOVELIOQYCOLR-VJFUWPCTSA-N 2 1 317.477 1.996 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077981674 753556297 /nfs/dbraw/zinc/55/62/97/753556297.db2.gz WWJRPQKHWDGIEI-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001077981674 753556302 /nfs/dbraw/zinc/55/63/02/753556302.db2.gz WWJRPQKHWDGIEI-IXDOHACOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000843319 762256169 /nfs/dbraw/zinc/25/61/69/762256169.db2.gz VYHJCBQTNHLFHI-IAGOWNOFSA-N 2 1 303.450 1.938 20 30 DDEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040106795 762386987 /nfs/dbraw/zinc/38/69/87/762386987.db2.gz DENCZMUXERDKNX-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040106795 762386995 /nfs/dbraw/zinc/38/69/95/762386995.db2.gz DENCZMUXERDKNX-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040106795 762387002 /nfs/dbraw/zinc/38/70/02/762387002.db2.gz DENCZMUXERDKNX-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040210278 762440156 /nfs/dbraw/zinc/44/01/56/762440156.db2.gz UUBUUSHLYIFDRR-HKUYNNGSSA-N 2 1 317.477 1.829 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001081670510 756422285 /nfs/dbraw/zinc/42/22/85/756422285.db2.gz WZJMMFKNCWAMBT-BRWVUGGUSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799492 756483969 /nfs/dbraw/zinc/48/39/69/756483969.db2.gz SCISIEZXRWNBSY-BRWVUGGUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001081799492 756483973 /nfs/dbraw/zinc/48/39/73/756483973.db2.gz SCISIEZXRWNBSY-BRWVUGGUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799492 756483977 /nfs/dbraw/zinc/48/39/77/756483977.db2.gz SCISIEZXRWNBSY-BRWVUGGUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001081799492 756483980 /nfs/dbraw/zinc/48/39/80/756483980.db2.gz SCISIEZXRWNBSY-BRWVUGGUSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066134 756623015 /nfs/dbraw/zinc/62/30/15/756623015.db2.gz ATNUBRMTTSBFHA-MWDXBVQZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066134 756623017 /nfs/dbraw/zinc/62/30/17/756623017.db2.gz ATNUBRMTTSBFHA-MWDXBVQZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066134 756623022 /nfs/dbraw/zinc/62/30/22/756623022.db2.gz ATNUBRMTTSBFHA-MWDXBVQZSA-N 2 1 323.481 1.498 20 30 DDEDMP N#Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001016001050 756711134 /nfs/dbraw/zinc/71/11/34/756711134.db2.gz HNWGUKINVAHLHX-QGZVFWFLSA-N 2 1 324.428 1.345 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001016001050 756711138 /nfs/dbraw/zinc/71/11/38/756711138.db2.gz HNWGUKINVAHLHX-QGZVFWFLSA-N 2 1 324.428 1.345 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001040329633 762491470 /nfs/dbraw/zinc/49/14/70/762491470.db2.gz WKGJLYSPHHFGKB-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164538872 756767649 /nfs/dbraw/zinc/76/76/49/756767649.db2.gz ODGKPZROIAZAAW-JKSUJKDBSA-N 2 1 311.470 1.546 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001082559024 756852776 /nfs/dbraw/zinc/85/27/76/756852776.db2.gz PZSFSKGPUSYZDP-BNOWGMLFSA-N 2 1 322.840 1.950 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258072 756878786 /nfs/dbraw/zinc/87/87/86/756878786.db2.gz ZWPIXHCEMCZHIS-STQMWFEESA-N 2 1 318.446 1.262 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258072 756878788 /nfs/dbraw/zinc/87/87/88/756878788.db2.gz ZWPIXHCEMCZHIS-STQMWFEESA-N 2 1 318.446 1.262 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258072 756878790 /nfs/dbraw/zinc/87/87/90/756878790.db2.gz ZWPIXHCEMCZHIS-STQMWFEESA-N 2 1 318.446 1.262 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)C1 ZINC001016258072 756878792 /nfs/dbraw/zinc/87/87/92/756878792.db2.gz ZWPIXHCEMCZHIS-STQMWFEESA-N 2 1 318.446 1.262 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097213515 756982488 /nfs/dbraw/zinc/98/24/88/756982488.db2.gz HFPOBIDNGCUMAJ-HZMVEIRTSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097213515 756982496 /nfs/dbraw/zinc/98/24/96/756982496.db2.gz HFPOBIDNGCUMAJ-HZMVEIRTSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097213515 756982501 /nfs/dbraw/zinc/98/25/01/756982501.db2.gz HFPOBIDNGCUMAJ-HZMVEIRTSA-N 2 1 305.466 1.872 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001016983928 757530206 /nfs/dbraw/zinc/53/02/06/757530206.db2.gz AJVQSVNERGNBRG-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084389041 757549328 /nfs/dbraw/zinc/54/93/28/757549328.db2.gz PUKZCHUTBQCIQM-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389041 757549337 /nfs/dbraw/zinc/54/93/37/757549337.db2.gz PUKZCHUTBQCIQM-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389041 757549343 /nfs/dbraw/zinc/54/93/43/757549343.db2.gz PUKZCHUTBQCIQM-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098923806 757986592 /nfs/dbraw/zinc/98/65/92/757986592.db2.gz GORYLSQUSUMVAO-YJBOKZPZSA-N 2 1 308.385 1.552 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017549223 758015904 /nfs/dbraw/zinc/01/59/04/758015904.db2.gz GBXOBBZWTCCQNQ-XWTMOSNGSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001053050028 758108865 /nfs/dbraw/zinc/10/88/65/758108865.db2.gz BGDAJZKPZHPJMS-QZTJIDSGSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040653783 762638512 /nfs/dbraw/zinc/63/85/12/762638512.db2.gz ZHOMAYHGVIDSQT-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040653783 762638514 /nfs/dbraw/zinc/63/85/14/762638514.db2.gz ZHOMAYHGVIDSQT-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054099106 759163195 /nfs/dbraw/zinc/16/31/95/759163195.db2.gz AQDGPCQXLJDHDV-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099106 759163197 /nfs/dbraw/zinc/16/31/97/759163197.db2.gz AQDGPCQXLJDHDV-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054099106 759163204 /nfs/dbraw/zinc/16/32/04/759163204.db2.gz AQDGPCQXLJDHDV-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001054244950 759337252 /nfs/dbraw/zinc/33/72/52/759337252.db2.gz LXKDMJRGWRYDNU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244950 759337263 /nfs/dbraw/zinc/33/72/63/759337263.db2.gz LXKDMJRGWRYDNU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001054244950 759337272 /nfs/dbraw/zinc/33/72/72/759337272.db2.gz LXKDMJRGWRYDNU-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001019383721 759878632 /nfs/dbraw/zinc/87/86/32/759878632.db2.gz LLVPHDLYXNBDPJ-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085669129 759963897 /nfs/dbraw/zinc/96/38/97/759963897.db2.gz RQNYOURWXREBMD-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213083 760383168 /nfs/dbraw/zinc/38/31/68/760383168.db2.gz LDFSNSAFBKOCCH-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213083 760383179 /nfs/dbraw/zinc/38/31/79/760383179.db2.gz LDFSNSAFBKOCCH-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213083 760383189 /nfs/dbraw/zinc/38/31/89/760383189.db2.gz LDFSNSAFBKOCCH-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CN1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108216409 760419370 /nfs/dbraw/zinc/41/93/70/760419370.db2.gz YZRVPUZCXJGGHB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001108216409 760419374 /nfs/dbraw/zinc/41/93/74/760419374.db2.gz YZRVPUZCXJGGHB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108216409 760419379 /nfs/dbraw/zinc/41/93/79/760419379.db2.gz YZRVPUZCXJGGHB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108216409 760419387 /nfs/dbraw/zinc/41/93/87/760419387.db2.gz YZRVPUZCXJGGHB-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCCF)C2)CC1 ZINC001046850319 767984035 /nfs/dbraw/zinc/98/40/35/767984035.db2.gz SKPOOUVZRUKDSJ-QGZVFWFLSA-N 2 1 309.429 1.272 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038934746 761565759 /nfs/dbraw/zinc/56/57/59/761565759.db2.gz KHXMDCGKAPIKTA-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038934746 761565766 /nfs/dbraw/zinc/56/57/66/761565766.db2.gz KHXMDCGKAPIKTA-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163922 761791073 /nfs/dbraw/zinc/79/10/73/761791073.db2.gz GAJRRDNKPQYVIR-FUHWJXTLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163922 761791075 /nfs/dbraw/zinc/79/10/75/761791075.db2.gz GAJRRDNKPQYVIR-FUHWJXTLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163922 761791079 /nfs/dbraw/zinc/79/10/79/761791079.db2.gz GAJRRDNKPQYVIR-FUHWJXTLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)CC1 ZINC001040850071 762705065 /nfs/dbraw/zinc/70/50/65/762705065.db2.gz WQRHCZJUYVXXFC-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040947177 762740453 /nfs/dbraw/zinc/74/04/53/762740453.db2.gz NDDKENVNJUQZHQ-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821111 762975514 /nfs/dbraw/zinc/97/55/14/762975514.db2.gz BAGRABUOLNZMKE-JYJNAYRXSA-N 2 1 300.406 1.184 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050206305 763319569 /nfs/dbraw/zinc/31/95/69/763319569.db2.gz GSOJIDILCSVVGS-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050206305 763319578 /nfs/dbraw/zinc/31/95/78/763319578.db2.gz GSOJIDILCSVVGS-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206305 763319585 /nfs/dbraw/zinc/31/95/85/763319585.db2.gz GSOJIDILCSVVGS-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206305 763319592 /nfs/dbraw/zinc/31/95/92/763319592.db2.gz GSOJIDILCSVVGS-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785195 763325171 /nfs/dbraw/zinc/32/51/71/763325171.db2.gz CHKVATKLJJDKOA-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785195 763325179 /nfs/dbraw/zinc/32/51/79/763325179.db2.gz CHKVATKLJJDKOA-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785195 763325186 /nfs/dbraw/zinc/32/51/86/763325186.db2.gz CHKVATKLJJDKOA-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042094122 763642783 /nfs/dbraw/zinc/64/27/83/763642783.db2.gz CTZJMMRAZBEAOM-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042094122 763642786 /nfs/dbraw/zinc/64/27/86/763642786.db2.gz CTZJMMRAZBEAOM-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042094122 763642788 /nfs/dbraw/zinc/64/27/88/763642788.db2.gz CTZJMMRAZBEAOM-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC)CC2 ZINC001050550905 763744480 /nfs/dbraw/zinc/74/44/80/763744480.db2.gz NXKKPNKRDQKJAU-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC)CC2 ZINC001050550905 763744485 /nfs/dbraw/zinc/74/44/85/763744485.db2.gz NXKKPNKRDQKJAU-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001050700176 763935885 /nfs/dbraw/zinc/93/58/85/763935885.db2.gz AXLNKYXKXDPMPN-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001050755086 764004341 /nfs/dbraw/zinc/00/43/41/764004341.db2.gz HWCCOOXBDDZLRC-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112578701 764423179 /nfs/dbraw/zinc/42/31/79/764423179.db2.gz BTDDFTICSQNJAN-WMZOPIPTSA-N 2 1 316.449 1.986 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131683602 768259994 /nfs/dbraw/zinc/25/99/94/768259994.db2.gz ZQEVGAUPKMSEHM-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001052275458 765662468 /nfs/dbraw/zinc/66/24/68/765662468.db2.gz LWDXXMLSAXANEQ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001052275458 765662472 /nfs/dbraw/zinc/66/24/72/765662472.db2.gz LWDXXMLSAXANEQ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275458 765662477 /nfs/dbraw/zinc/66/24/77/765662477.db2.gz LWDXXMLSAXANEQ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001052275458 765662480 /nfs/dbraw/zinc/66/24/80/765662480.db2.gz LWDXXMLSAXANEQ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573200 765967718 /nfs/dbraw/zinc/96/77/18/765967718.db2.gz VTFBBTPLVCMIEP-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573200 765967724 /nfs/dbraw/zinc/96/77/24/765967724.db2.gz VTFBBTPLVCMIEP-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573200 765967728 /nfs/dbraw/zinc/96/77/28/765967728.db2.gz VTFBBTPLVCMIEP-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047409730 768458808 /nfs/dbraw/zinc/45/88/08/768458808.db2.gz XALYBPYZSLINIZ-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047409730 768458810 /nfs/dbraw/zinc/45/88/10/768458810.db2.gz XALYBPYZSLINIZ-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001047409730 768458813 /nfs/dbraw/zinc/45/88/13/768458813.db2.gz XALYBPYZSLINIZ-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@H]1C ZINC001132139779 768645524 /nfs/dbraw/zinc/64/55/24/768645524.db2.gz BUXRHIKODQBRAH-CVEARBPZSA-N 2 1 314.433 1.510 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310820 768750571 /nfs/dbraw/zinc/75/05/71/768750571.db2.gz ONGBSALWWHZXIB-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310820 768750576 /nfs/dbraw/zinc/75/05/76/768750576.db2.gz ONGBSALWWHZXIB-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310820 768750577 /nfs/dbraw/zinc/75/05/77/768750577.db2.gz ONGBSALWWHZXIB-HOTGVXAUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562030 769534728 /nfs/dbraw/zinc/53/47/28/769534728.db2.gz IKUUBPZNJQSSES-SFFUCWETSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562030 769534737 /nfs/dbraw/zinc/53/47/37/769534737.db2.gz IKUUBPZNJQSSES-SFFUCWETSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562030 769534743 /nfs/dbraw/zinc/53/47/43/769534743.db2.gz IKUUBPZNJQSSES-SFFUCWETSA-N 2 1 317.477 1.567 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818937 769939797 /nfs/dbraw/zinc/93/97/97/769939797.db2.gz OKNISZOINSNVEV-FJIDUMEYSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818937 769939803 /nfs/dbraw/zinc/93/98/03/769939803.db2.gz OKNISZOINSNVEV-FJIDUMEYSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818937 769939806 /nfs/dbraw/zinc/93/98/06/769939806.db2.gz OKNISZOINSNVEV-FJIDUMEYSA-N 2 1 317.477 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911470 770098497 /nfs/dbraw/zinc/09/84/97/770098497.db2.gz IEUFQZQEAPWINJ-OKILXGFUSA-N 2 1 318.421 1.316 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)C[C@H]2C1 ZINC001048911470 770098511 /nfs/dbraw/zinc/09/85/11/770098511.db2.gz IEUFQZQEAPWINJ-OKILXGFUSA-N 2 1 318.421 1.316 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048912264 770100124 /nfs/dbraw/zinc/10/01/24/770100124.db2.gz HFMPRIIQFMQRJQ-BBWFWOEESA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048912264 770100137 /nfs/dbraw/zinc/10/01/37/770100137.db2.gz HFMPRIIQFMQRJQ-BBWFWOEESA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048912264 770100149 /nfs/dbraw/zinc/10/01/49/770100149.db2.gz HFMPRIIQFMQRJQ-BBWFWOEESA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071869567 770201727 /nfs/dbraw/zinc/20/17/27/770201727.db2.gz SJZGGTOWEGXMGD-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@H]1C ZINC001071869567 770201729 /nfs/dbraw/zinc/20/17/29/770201729.db2.gz SJZGGTOWEGXMGD-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001133842198 770346155 /nfs/dbraw/zinc/34/61/55/770346155.db2.gz GPLDIMZCXUDCLA-GFCCVEGCSA-N 2 1 306.435 1.167 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049509292 770947790 /nfs/dbraw/zinc/94/77/90/770947790.db2.gz SKCJIAVUNMUPOT-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509292 770947796 /nfs/dbraw/zinc/94/77/96/770947796.db2.gz SKCJIAVUNMUPOT-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049509292 770947799 /nfs/dbraw/zinc/94/77/99/770947799.db2.gz SKCJIAVUNMUPOT-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049514379 770959463 /nfs/dbraw/zinc/95/94/63/770959463.db2.gz DFVQPAMQBBCYGO-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049514379 770959471 /nfs/dbraw/zinc/95/94/71/770959471.db2.gz DFVQPAMQBBCYGO-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049514379 770959476 /nfs/dbraw/zinc/95/94/76/770959476.db2.gz DFVQPAMQBBCYGO-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049720011 771112720 /nfs/dbraw/zinc/11/27/20/771112720.db2.gz QIGLDFNLSBWQFS-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049720011 771112724 /nfs/dbraw/zinc/11/27/24/771112724.db2.gz QIGLDFNLSBWQFS-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049720011 771112726 /nfs/dbraw/zinc/11/27/26/771112726.db2.gz QIGLDFNLSBWQFS-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049767171 771144428 /nfs/dbraw/zinc/14/44/28/771144428.db2.gz OJHVILFFIIPHGT-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001096586075 771237736 /nfs/dbraw/zinc/23/77/36/771237736.db2.gz JULIDFDRLKQANG-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001096586075 771237739 /nfs/dbraw/zinc/23/77/39/771237739.db2.gz JULIDFDRLKQANG-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096586075 771237743 /nfs/dbraw/zinc/23/77/43/771237743.db2.gz JULIDFDRLKQANG-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096586075 771237747 /nfs/dbraw/zinc/23/77/47/771237747.db2.gz JULIDFDRLKQANG-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028033 771284793 /nfs/dbraw/zinc/28/47/93/771284793.db2.gz BMZCZGHUAVFSKU-KBPBESRZSA-N 2 1 308.426 1.267 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC001090831660 772250379 /nfs/dbraw/zinc/25/03/79/772250379.db2.gz UPDJYKHYJSPVOV-DLBZAZTESA-N 2 1 317.433 1.099 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298264 773092219 /nfs/dbraw/zinc/09/22/19/773092219.db2.gz SDHTUAQINMOEDK-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147298264 773092222 /nfs/dbraw/zinc/09/22/22/773092222.db2.gz SDHTUAQINMOEDK-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147298264 773092226 /nfs/dbraw/zinc/09/22/26/773092226.db2.gz SDHTUAQINMOEDK-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147298264 773092228 /nfs/dbraw/zinc/09/22/28/773092228.db2.gz SDHTUAQINMOEDK-HOTGVXAUSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC#CC ZINC001171307878 773158461 /nfs/dbraw/zinc/15/84/61/773158461.db2.gz MJAJHHYNNHAHHY-SJORKVTESA-N 2 1 303.450 1.372 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC#CC ZINC001171307878 773158464 /nfs/dbraw/zinc/15/84/64/773158464.db2.gz MJAJHHYNNHAHHY-SJORKVTESA-N 2 1 303.450 1.372 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001073605658 773206601 /nfs/dbraw/zinc/20/66/01/773206601.db2.gz QGMYNZLQQUYWMN-IAGOWNOFSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610992 773212448 /nfs/dbraw/zinc/21/24/48/773212448.db2.gz KZIGUKHFAHHNDY-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610992 773212451 /nfs/dbraw/zinc/21/24/51/773212451.db2.gz KZIGUKHFAHHNDY-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610992 773212459 /nfs/dbraw/zinc/21/24/59/773212459.db2.gz KZIGUKHFAHHNDY-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001147877579 773282775 /nfs/dbraw/zinc/28/27/75/773282775.db2.gz MDQHMEBXVDYJGS-MRXNPFEDSA-N 2 1 317.408 1.225 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1OC ZINC001148638695 773562345 /nfs/dbraw/zinc/56/23/45/773562345.db2.gz NTQFUORABZZINF-UHFFFAOYSA-N 2 1 318.421 1.114 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819432 773828323 /nfs/dbraw/zinc/82/83/23/773828323.db2.gz YTNKRUDIOWEKEG-AEFFLSMTSA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092734630 774238366 /nfs/dbraw/zinc/23/83/66/774238366.db2.gz CNLSGKQTXLSSDF-YUELXQCFSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001092734630 774238371 /nfs/dbraw/zinc/23/83/71/774238371.db2.gz CNLSGKQTXLSSDF-YUELXQCFSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001092734630 774238375 /nfs/dbraw/zinc/23/83/75/774238375.db2.gz CNLSGKQTXLSSDF-YUELXQCFSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H]1C ZINC001075123321 774369421 /nfs/dbraw/zinc/36/94/21/774369421.db2.gz GZNZTMPOOCSOHW-IHRRRGAJSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H]1C ZINC001075123321 774369427 /nfs/dbraw/zinc/36/94/27/774369427.db2.gz GZNZTMPOOCSOHW-IHRRRGAJSA-N 2 1 315.845 1.039 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036855077 774944013 /nfs/dbraw/zinc/94/40/13/774944013.db2.gz VNBJEGWQVCBTTB-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544543 775023273 /nfs/dbraw/zinc/02/32/73/775023273.db2.gz QNZQQLKQOGOYOY-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544543 775023281 /nfs/dbraw/zinc/02/32/81/775023281.db2.gz QNZQQLKQOGOYOY-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544543 775023290 /nfs/dbraw/zinc/02/32/90/775023290.db2.gz QNZQQLKQOGOYOY-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100033365 775597963 /nfs/dbraw/zinc/59/79/63/775597963.db2.gz DCHNJRVWCPBHOE-JKSUJKDBSA-N 2 1 320.437 1.099 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100033365 775597971 /nfs/dbraw/zinc/59/79/71/775597971.db2.gz DCHNJRVWCPBHOE-JKSUJKDBSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100077044 775650345 /nfs/dbraw/zinc/65/03/45/775650345.db2.gz WZWMKKIHGWMAGH-JKSUJKDBSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141575 775725840 /nfs/dbraw/zinc/72/58/40/775725840.db2.gz WONOGLAMBXBZND-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001094459320 775897181 /nfs/dbraw/zinc/89/71/81/775897181.db2.gz INRRXEJETZSUML-SJLPKXTDSA-N 2 1 315.461 1.609 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)Cn3ccnc3)CC[C@@H]21 ZINC001036910348 776077990 /nfs/dbraw/zinc/07/79/90/776077990.db2.gz RXCRTFAOZVGMRD-HOTGVXAUSA-N 2 1 302.422 1.772 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001171872944 776484809 /nfs/dbraw/zinc/48/48/09/776484809.db2.gz KWYDUAPZRFNGHS-JBCIKUTRSA-N 2 1 321.465 1.300 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001100795990 776556448 /nfs/dbraw/zinc/55/64/48/776556448.db2.gz OYCDENJJYARMTI-UHFFFAOYSA-N 2 1 323.400 1.389 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368869 777100223 /nfs/dbraw/zinc/10/02/23/777100223.db2.gz QUOWPCJEHLUSHZ-QAPCUYQASA-N 2 1 307.482 1.931 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368869 777100226 /nfs/dbraw/zinc/10/02/26/777100226.db2.gz QUOWPCJEHLUSHZ-QAPCUYQASA-N 2 1 307.482 1.931 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368869 777100232 /nfs/dbraw/zinc/10/02/32/777100232.db2.gz QUOWPCJEHLUSHZ-QAPCUYQASA-N 2 1 307.482 1.931 20 30 DDEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001101521778 777205511 /nfs/dbraw/zinc/20/55/11/777205511.db2.gz AVMPFEQAHOFEMR-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001150417206 777626121 /nfs/dbraw/zinc/62/61/21/777626121.db2.gz JFWYYRCRVAZAQU-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156429 777906507 /nfs/dbraw/zinc/90/65/07/777906507.db2.gz TXJHCSHFSYEJDN-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156429 777906514 /nfs/dbraw/zinc/90/65/14/777906514.db2.gz TXJHCSHFSYEJDN-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102189139 777921774 /nfs/dbraw/zinc/92/17/74/777921774.db2.gz XVPCETPFRSRPMI-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102513884 778179710 /nfs/dbraw/zinc/17/97/10/778179710.db2.gz FGXSSCRFCLCGQS-IXDOHACOSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102513884 778179712 /nfs/dbraw/zinc/17/97/12/778179712.db2.gz FGXSSCRFCLCGQS-IXDOHACOSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102513884 778179714 /nfs/dbraw/zinc/17/97/14/778179714.db2.gz FGXSSCRFCLCGQS-IXDOHACOSA-N 2 1 323.481 1.215 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001176980556 778364566 /nfs/dbraw/zinc/36/45/66/778364566.db2.gz KCIMLXYGHBQYCB-UHFFFAOYSA-N 2 1 301.434 1.474 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103005065 778551712 /nfs/dbraw/zinc/55/17/12/778551712.db2.gz NVHKEBSNEJNPCJ-QBPKDAKJSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103005065 778551713 /nfs/dbraw/zinc/55/17/13/778551713.db2.gz NVHKEBSNEJNPCJ-QBPKDAKJSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103005065 778551714 /nfs/dbraw/zinc/55/17/14/778551714.db2.gz NVHKEBSNEJNPCJ-QBPKDAKJSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001103724523 779014998 /nfs/dbraw/zinc/01/49/98/779014998.db2.gz HMURNWLMOBQDGR-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103998238 779232955 /nfs/dbraw/zinc/23/29/55/779232955.db2.gz OJRXVOSVBFCCCA-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104211149 779374344 /nfs/dbraw/zinc/37/43/44/779374344.db2.gz ULPOTNCAVDYPSR-QBPKDAKJSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179719392 779467056 /nfs/dbraw/zinc/46/70/56/779467056.db2.gz FBLDKYSBEZAIIG-IKGGRYGDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190347 779643670 /nfs/dbraw/zinc/64/36/70/779643670.db2.gz XDYUWDCNYVZOLV-CHWSQXEVSA-N 2 1 321.387 1.883 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001180331159 779732411 /nfs/dbraw/zinc/73/24/11/779732411.db2.gz DDKSEMRYCAGPKO-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001180331159 779732414 /nfs/dbraw/zinc/73/24/14/779732414.db2.gz DDKSEMRYCAGPKO-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170702 781797981 /nfs/dbraw/zinc/79/79/81/781797981.db2.gz QCJWAJKDDBQGRE-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170702 781797992 /nfs/dbraw/zinc/79/79/92/781797992.db2.gz QCJWAJKDDBQGRE-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001266417472 836227862 /nfs/dbraw/zinc/22/78/62/836227862.db2.gz FNAIPAGPIJTPBD-HNNXBMFYSA-N 2 1 306.410 1.410 20 30 DDEDMP COCC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001266430843 836244594 /nfs/dbraw/zinc/24/45/94/836244594.db2.gz DBCAYKXUBJKRPY-INIZCTEOSA-N 2 1 323.481 1.099 20 30 DDEDMP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001266813369 836873549 /nfs/dbraw/zinc/87/35/49/836873549.db2.gz PHWGABGUGMRWFS-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001267415471 838016591 /nfs/dbraw/zinc/01/65/91/838016591.db2.gz LQBWZADRKJRFDW-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267494369 838176884 /nfs/dbraw/zinc/17/68/84/838176884.db2.gz SNCOJUPBODCNDO-DOTOQJQBSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CC=C)C2)CC1 ZINC001267572050 838333455 /nfs/dbraw/zinc/33/34/55/838333455.db2.gz WEZVMBWDFZHDFT-INIZCTEOSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCCCC=C)C2)CC1 ZINC001268483381 840278505 /nfs/dbraw/zinc/27/85/05/840278505.db2.gz KIEQKDVYGBUNBA-UHFFFAOYSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268644768 840625949 /nfs/dbraw/zinc/62/59/49/840625949.db2.gz ATNBYVAKXFZBSR-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268689520 840676827 /nfs/dbraw/zinc/67/68/27/840676827.db2.gz ZOONDDPXOBPDDW-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2cncc2C1 ZINC001268735016 840734613 /nfs/dbraw/zinc/73/46/13/840734613.db2.gz CONFEAGDBKICNN-GJZGRUSLSA-N 2 1 304.438 1.848 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001269286933 841472099 /nfs/dbraw/zinc/47/20/99/841472099.db2.gz DZPKOABGTNMUNE-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001284657871 842114094 /nfs/dbraw/zinc/11/40/94/842114094.db2.gz MKXIHKHLELRFAC-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCOC ZINC001284657871 842114100 /nfs/dbraw/zinc/11/41/00/842114100.db2.gz MKXIHKHLELRFAC-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCOC ZINC001284657871 842114106 /nfs/dbraw/zinc/11/41/06/842114106.db2.gz MKXIHKHLELRFAC-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001270261818 842434344 /nfs/dbraw/zinc/43/43/44/842434344.db2.gz WLXRAQWKWXEIAC-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270403963 842550545 /nfs/dbraw/zinc/55/05/45/842550545.db2.gz PYOXMFCPWRMWMY-IRXDYDNUSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001280220456 842561211 /nfs/dbraw/zinc/56/12/11/842561211.db2.gz XTUGGEGODFMDCQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001271292499 843470072 /nfs/dbraw/zinc/47/00/72/843470072.db2.gz BTGLAVUIMJSWER-HOTGVXAUSA-N 2 1 316.449 1.508 20 30 DDEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001272152057 844664791 /nfs/dbraw/zinc/66/47/91/844664791.db2.gz NOMLQPLQDZSVSR-IAGOWNOFSA-N 2 1 323.481 1.147 20 30 DDEDMP CCCCCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001272661176 846506280 /nfs/dbraw/zinc/50/62/80/846506280.db2.gz ZVSYPAUHGQWPMA-CVEARBPZSA-N 2 1 323.481 1.166 20 30 DDEDMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001273018543 847790893 /nfs/dbraw/zinc/79/08/93/847790893.db2.gz MBLFHCMKGVRTIK-HIFRSBDPSA-N 2 1 302.422 1.262 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273127900 847960781 /nfs/dbraw/zinc/96/07/81/847960781.db2.gz JWACFCGBOSALES-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2CC2(C[NH+](C)C)CCCC2)C1=O ZINC001273127900 847960783 /nfs/dbraw/zinc/96/07/83/847960783.db2.gz JWACFCGBOSALES-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCN1CC2(CCC1=O)CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273144254 848565064 /nfs/dbraw/zinc/56/50/64/848565064.db2.gz ONTUYESCJHFOCI-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150334573 862185622 /nfs/dbraw/zinc/18/56/22/862185622.db2.gz XJFQWRCWKRUAIZ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150334573 862185625 /nfs/dbraw/zinc/18/56/25/862185625.db2.gz XJFQWRCWKRUAIZ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001150334573 862185628 /nfs/dbraw/zinc/18/56/28/862185628.db2.gz XJFQWRCWKRUAIZ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273487329 851017893 /nfs/dbraw/zinc/01/78/93/851017893.db2.gz HALOWOPIPNJYIP-QGZVFWFLSA-N 2 1 307.438 1.355 20 30 DDEDMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001274319029 852153896 /nfs/dbraw/zinc/15/38/96/852153896.db2.gz WQVUFMCKUPNIHW-YVACAVLKSA-N 2 1 300.406 1.039 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001275167230 852854653 /nfs/dbraw/zinc/85/46/53/852854653.db2.gz OJSDMDNDPPDTKS-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001275167230 852854661 /nfs/dbraw/zinc/85/46/61/852854661.db2.gz OJSDMDNDPPDTKS-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001275167230 852854666 /nfs/dbraw/zinc/85/46/66/852854666.db2.gz OJSDMDNDPPDTKS-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001275167230 852854673 /nfs/dbraw/zinc/85/46/73/852854673.db2.gz OJSDMDNDPPDTKS-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791289 862454358 /nfs/dbraw/zinc/45/43/58/862454358.db2.gz VJNPCDSQHHVQGP-NSHDSACASA-N 2 1 304.232 1.085 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001151334905 862732952 /nfs/dbraw/zinc/73/29/52/862732952.db2.gz PSQIFRVOXZTRKB-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151409131 862758409 /nfs/dbraw/zinc/75/84/09/862758409.db2.gz ZGIONCGSZXVJOU-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813357 857743143 /nfs/dbraw/zinc/74/31/43/857743143.db2.gz OLVQABHROHIUHL-OAHLLOKOSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813357 857743149 /nfs/dbraw/zinc/74/31/49/857743149.db2.gz OLVQABHROHIUHL-OAHLLOKOSA-N 2 1 312.417 1.318 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847618 857793897 /nfs/dbraw/zinc/79/38/97/857793897.db2.gz SNRCAJVGJKMJQM-UHFFFAOYSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907417 857871298 /nfs/dbraw/zinc/87/12/98/857871298.db2.gz IOMUBGQAWDAGHD-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907417 857871304 /nfs/dbraw/zinc/87/13/04/857871304.db2.gz IOMUBGQAWDAGHD-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907417 857871308 /nfs/dbraw/zinc/87/13/08/857871308.db2.gz IOMUBGQAWDAGHD-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072914145 857881287 /nfs/dbraw/zinc/88/12/87/857881287.db2.gz WWPZYIPVADKDBP-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914145 857881293 /nfs/dbraw/zinc/88/12/93/857881293.db2.gz WWPZYIPVADKDBP-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914145 857881297 /nfs/dbraw/zinc/88/12/97/857881297.db2.gz WWPZYIPVADKDBP-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073025297 858013603 /nfs/dbraw/zinc/01/36/03/858013603.db2.gz DYDYVNHFLNXHQC-UHFFFAOYSA-N 2 1 302.422 1.727 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073025297 858013612 /nfs/dbraw/zinc/01/36/12/858013612.db2.gz DYDYVNHFLNXHQC-UHFFFAOYSA-N 2 1 302.422 1.727 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073035718 858028398 /nfs/dbraw/zinc/02/83/98/858028398.db2.gz PKROLEWMVGZJMM-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073035718 858028409 /nfs/dbraw/zinc/02/84/09/858028409.db2.gz PKROLEWMVGZJMM-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)C2)C1 ZINC001073035718 858028420 /nfs/dbraw/zinc/02/84/20/858028420.db2.gz PKROLEWMVGZJMM-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122177955 858703326 /nfs/dbraw/zinc/70/33/26/858703326.db2.gz OWEAHBZYCKLFTJ-JFPDKAJLSA-N 2 1 321.465 1.158 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001224546368 881441277 /nfs/dbraw/zinc/44/12/77/881441277.db2.gz LWVWLZWXMHSJQP-RDJZCZTQSA-N 2 1 323.481 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001328808480 863244597 /nfs/dbraw/zinc/24/45/97/863244597.db2.gz PIWGHUKGWMJAQK-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2csc(C)n2)CC1 ZINC001152330470 863280128 /nfs/dbraw/zinc/28/01/28/863280128.db2.gz OJOYMCQWMJDELC-UHFFFAOYSA-N 2 1 320.462 1.003 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160407303 865819751 /nfs/dbraw/zinc/81/97/51/865819751.db2.gz ZRIJBGDLHTZCRA-KRWDZBQOSA-N 2 1 305.466 1.734 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001332950641 866284558 /nfs/dbraw/zinc/28/45/58/866284558.db2.gz VMDQZMINOUDLQT-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001319775267 866285913 /nfs/dbraw/zinc/28/59/13/866285913.db2.gz SVKFJWVEHSQBKT-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001323642543 866744245 /nfs/dbraw/zinc/74/42/45/866744245.db2.gz NQFRDTUDUBICPD-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161554790 866764977 /nfs/dbraw/zinc/76/49/77/866764977.db2.gz SELHOKLJUKOSLS-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001161879823 867067017 /nfs/dbraw/zinc/06/70/17/867067017.db2.gz VGYDWLDAAGSHES-INIZCTEOSA-N 2 1 321.465 1.279 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C)(COC)CC1 ZINC001162326322 867452411 /nfs/dbraw/zinc/45/24/11/867452411.db2.gz BZTOPMWLTALREE-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325114672 867784151 /nfs/dbraw/zinc/78/41/51/867784151.db2.gz NIDSAYIMFYEHDR-GOSISDBHSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596942 869315267 /nfs/dbraw/zinc/31/52/67/869315267.db2.gz UEDWETPXRAJLJR-HOTGVXAUSA-N 2 1 321.465 1.302 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317040884 870152668 /nfs/dbraw/zinc/15/26/68/870152668.db2.gz SHWJRVMULWENLX-IRXDYDNUSA-N 2 1 307.482 1.766 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317040885 870153026 /nfs/dbraw/zinc/15/30/26/870153026.db2.gz SHWJRVMULWENLX-SJORKVTESA-N 2 1 307.482 1.766 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317045262 870159885 /nfs/dbraw/zinc/15/98/85/870159885.db2.gz POCOOKNNRWTNPO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317045262 870159891 /nfs/dbraw/zinc/15/98/91/870159891.db2.gz POCOOKNNRWTNPO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317045262 870159897 /nfs/dbraw/zinc/15/98/97/870159897.db2.gz POCOOKNNRWTNPO-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736233 870207874 /nfs/dbraw/zinc/20/78/74/870207874.db2.gz FKVFQVFINWEBMP-UHFFFAOYSA-N 2 1 304.394 1.003 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001166841667 870302139 /nfs/dbraw/zinc/30/21/39/870302139.db2.gz ACZZMSSSFBENJD-HOTGVXAUSA-N 2 1 305.466 1.616 20 30 DDEDMP CSc1nc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)ccc1C#N ZINC001205228969 871447024 /nfs/dbraw/zinc/44/70/24/871447024.db2.gz LAJMXJYFBGSRHN-OAHLLOKOSA-N 2 1 306.435 1.351 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284799 871482830 /nfs/dbraw/zinc/48/28/30/871482830.db2.gz QNQRAIVCJCDSCS-ZWKOTPCHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461498 871567790 /nfs/dbraw/zinc/56/77/90/871567790.db2.gz LGYBLBAJAHFIOH-HNNXBMFYSA-N 2 1 300.406 1.222 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317841484 871579550 /nfs/dbraw/zinc/57/95/50/871579550.db2.gz CZCQJQURUBDFNM-CQSZACIVSA-N 2 1 320.437 1.706 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317841484 871579555 /nfs/dbraw/zinc/57/95/55/871579555.db2.gz CZCQJQURUBDFNM-CQSZACIVSA-N 2 1 320.437 1.706 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001318376756 871969672 /nfs/dbraw/zinc/96/96/72/871969672.db2.gz RPNAJWPAQXNQEQ-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001318376756 871969682 /nfs/dbraw/zinc/96/96/82/871969682.db2.gz RPNAJWPAQXNQEQ-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001318376756 871969692 /nfs/dbraw/zinc/96/96/92/871969692.db2.gz RPNAJWPAQXNQEQ-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001318376756 871969703 /nfs/dbraw/zinc/96/97/03/871969703.db2.gz RPNAJWPAQXNQEQ-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001316762475 872006751 /nfs/dbraw/zinc/00/67/51/872006751.db2.gz CFTKGIDPBOQTEB-IRXDYDNUSA-N 2 1 323.481 1.147 20 30 DDEDMP C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316762475 872006767 /nfs/dbraw/zinc/00/67/67/872006767.db2.gz CFTKGIDPBOQTEB-IRXDYDNUSA-N 2 1 323.481 1.147 20 30 DDEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316762475 872006787 /nfs/dbraw/zinc/00/67/87/872006787.db2.gz CFTKGIDPBOQTEB-IRXDYDNUSA-N 2 1 323.481 1.147 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001206482288 872368439 /nfs/dbraw/zinc/36/84/39/872368439.db2.gz RQZXOVDOCCZVCJ-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001319020456 872401676 /nfs/dbraw/zinc/40/16/76/872401676.db2.gz BTPFBYPLOPJCMT-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226774480 882643113 /nfs/dbraw/zinc/64/31/13/882643113.db2.gz MZNVOPANWRQOTD-OAGGEKHMSA-N 2 1 314.433 1.801 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207008294 872922478 /nfs/dbraw/zinc/92/24/78/872922478.db2.gz VUEBDVCUGARCOP-OWCLPIDISA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207008294 872922483 /nfs/dbraw/zinc/92/24/83/872922483.db2.gz VUEBDVCUGARCOP-OWCLPIDISA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOC ZINC001226860836 882692961 /nfs/dbraw/zinc/69/29/61/882692961.db2.gz SGFXWDCQBJYBEO-ZACQAIPSSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCOC ZINC001226860836 882692964 /nfs/dbraw/zinc/69/29/64/882692964.db2.gz SGFXWDCQBJYBEO-ZACQAIPSSA-N 2 1 321.465 1.138 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001208014198 873749755 /nfs/dbraw/zinc/74/97/55/873749755.db2.gz NHPADNZQGKVLOH-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208331896 874019584 /nfs/dbraw/zinc/01/95/84/874019584.db2.gz YEZPXQYYFNYUSX-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001208335700 874027780 /nfs/dbraw/zinc/02/77/80/874027780.db2.gz YYPJCIXNQIRYLN-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001378062574 874043730 /nfs/dbraw/zinc/04/37/30/874043730.db2.gz IIYPUPCJPOEUFZ-DLBZAZTESA-N 2 1 314.433 1.589 20 30 DDEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001378062574 874043746 /nfs/dbraw/zinc/04/37/46/874043746.db2.gz IIYPUPCJPOEUFZ-DLBZAZTESA-N 2 1 314.433 1.589 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467533 874166035 /nfs/dbraw/zinc/16/60/35/874166035.db2.gz OVOGSHVENPLTOF-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209642988 875034288 /nfs/dbraw/zinc/03/42/88/875034288.db2.gz QVYYERCGLNABKA-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP CCCCCCCCC[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310411 889181776 /nfs/dbraw/zinc/18/17/76/889181776.db2.gz YOPGQRGOTAIZJT-UHFFFAOYSA-N 3 1 314.518 1.853 20 30 DDEDMP C#CCN(C(=O)NC[C@H]1CCCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC001351666102 876372522 /nfs/dbraw/zinc/37/25/22/876372522.db2.gz JKKJQXCZQLWJHZ-MRXNPFEDSA-N 2 1 306.454 1.210 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393109 876696628 /nfs/dbraw/zinc/69/66/28/876696628.db2.gz OJJRIOFHEAESMY-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393109 876696631 /nfs/dbraw/zinc/69/66/31/876696631.db2.gz OJJRIOFHEAESMY-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544438 876748009 /nfs/dbraw/zinc/74/80/09/876748009.db2.gz UVPFMWLFWFNVKO-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544055 876748509 /nfs/dbraw/zinc/74/85/09/876748509.db2.gz FOBDZPCDCGOXKR-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219003065 877867832 /nfs/dbraw/zinc/86/78/32/877867832.db2.gz RHKAVKWIIPKLEL-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220746525 879225258 /nfs/dbraw/zinc/22/52/58/879225258.db2.gz DJDQCSOTAYIGIJ-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220746525 879225267 /nfs/dbraw/zinc/22/52/67/879225267.db2.gz DJDQCSOTAYIGIJ-SJORKVTESA-N 2 1 323.481 1.073 20 30 DDEDMP N#Cc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)cc1Cl ZINC001222506924 880523888 /nfs/dbraw/zinc/52/38/88/880523888.db2.gz HSQMDTCBMUHFEH-HOTGVXAUSA-N 2 1 304.825 1.737 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001277847234 887870584 /nfs/dbraw/zinc/87/05/84/887870584.db2.gz YHUYEOJUYHABRN-OLZOCXBDSA-N 2 1 319.371 1.473 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001277847234 887870589 /nfs/dbraw/zinc/87/05/89/887870589.db2.gz YHUYEOJUYHABRN-OLZOCXBDSA-N 2 1 319.371 1.473 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512379 888699841 /nfs/dbraw/zinc/69/98/41/888699841.db2.gz KBRWTDFFNXGTBG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235512379 888699846 /nfs/dbraw/zinc/69/98/46/888699846.db2.gz KBRWTDFFNXGTBG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235512379 888699850 /nfs/dbraw/zinc/69/98/50/888699850.db2.gz KBRWTDFFNXGTBG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235512379 888699856 /nfs/dbraw/zinc/69/98/56/888699856.db2.gz KBRWTDFFNXGTBG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCCCCCCCC[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310411 889181766 /nfs/dbraw/zinc/18/17/66/889181766.db2.gz YOPGQRGOTAIZJT-UHFFFAOYSA-N 3 1 314.518 1.853 20 30 DDEDMP N#C[C@@H]1C[C@@H]([NH2+]C2(Cc3cccc(F)c3)CC[NH2+]CC2)CCN1 ZINC001246455167 892637342 /nfs/dbraw/zinc/63/73/42/892637342.db2.gz HHYAUBCGUSUMKO-IRXDYDNUSA-N 2 1 316.424 1.724 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CCN3CCOCC3)CCC[C@@H]12 ZINC001278466801 892912217 /nfs/dbraw/zinc/91/22/17/892912217.db2.gz LDPGFLOQMVQPLK-SJLPKXTDSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001278466801 892912223 /nfs/dbraw/zinc/91/22/23/892912223.db2.gz LDPGFLOQMVQPLK-SJLPKXTDSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001278466801 892912233 /nfs/dbraw/zinc/91/22/33/892912233.db2.gz LDPGFLOQMVQPLK-SJLPKXTDSA-N 2 1 321.465 1.398 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001278467720 892927103 /nfs/dbraw/zinc/92/71/03/892927103.db2.gz UJRSFWRXRBISJK-HKUYNNGSSA-N 2 1 317.477 1.999 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001252483356 895202543 /nfs/dbraw/zinc/20/25/43/895202543.db2.gz TXZVJZJTKLPAAN-ROUUACIJSA-N 2 1 304.434 1.662 20 30 DDEDMP C=C[C@](C)(O)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001252573616 895287628 /nfs/dbraw/zinc/28/76/28/895287628.db2.gz HJWFHEQURZXFPX-SFHVURJKSA-N 2 1 303.450 1.461 20 30 DDEDMP C=CCCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001278798673 896532898 /nfs/dbraw/zinc/53/28/98/896532898.db2.gz RSIQBKLAXBWUOD-JYJNAYRXSA-N 2 1 311.470 1.092 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001390733418 900043072 /nfs/dbraw/zinc/04/30/72/900043072.db2.gz PFEIAJVCAGQOFX-OAHLLOKOSA-N 2 1 316.449 1.883 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001264708888 901304813 /nfs/dbraw/zinc/30/48/13/901304813.db2.gz XKZVIELOVXSNGL-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1C ZINC001264708888 901304818 /nfs/dbraw/zinc/30/48/18/901304818.db2.gz XKZVIELOVXSNGL-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001264708888 901304829 /nfs/dbraw/zinc/30/48/29/901304829.db2.gz XKZVIELOVXSNGL-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1C ZINC001264708888 901304843 /nfs/dbraw/zinc/30/48/43/901304843.db2.gz XKZVIELOVXSNGL-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CCC)C2CC2)CC1 ZINC001265184037 901676517 /nfs/dbraw/zinc/67/65/17/901676517.db2.gz ONVUMTKYOVJZGA-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001265654137 902259029 /nfs/dbraw/zinc/25/90/29/902259029.db2.gz NZVOYVNLCYVLGV-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001265654137 902259044 /nfs/dbraw/zinc/25/90/44/902259044.db2.gz NZVOYVNLCYVLGV-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001265654137 902259057 /nfs/dbraw/zinc/25/90/57/902259057.db2.gz NZVOYVNLCYVLGV-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001391661771 902279612 /nfs/dbraw/zinc/27/96/12/902279612.db2.gz KBXNMWNNPKGDJN-IAGOWNOFSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nocc1C ZINC001266153108 903030871 /nfs/dbraw/zinc/03/08/71/903030871.db2.gz YAMZHVLKSMURPR-HOCLYGCPSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nocc1C ZINC001266153108 903030888 /nfs/dbraw/zinc/03/08/88/903030888.db2.gz YAMZHVLKSMURPR-HOCLYGCPSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)CC[N@H+](C)CCC)CC2)CC1 ZINC001279367812 903236084 /nfs/dbraw/zinc/23/60/84/903236084.db2.gz ADRIWBXGULOORB-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001316598562 903405036 /nfs/dbraw/zinc/40/50/36/903405036.db2.gz CBPHWRXAFFYVLZ-OAHLLOKOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001316598562 903405042 /nfs/dbraw/zinc/40/50/42/903405042.db2.gz CBPHWRXAFFYVLZ-OAHLLOKOSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001281677347 905151526 /nfs/dbraw/zinc/15/15/26/905151526.db2.gz UZVKOUAPJPTJSC-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001281677347 905151530 /nfs/dbraw/zinc/15/15/30/905151530.db2.gz UZVKOUAPJPTJSC-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001281783441 905215178 /nfs/dbraw/zinc/21/51/78/905215178.db2.gz IACFWZKPPKRJRG-UHFFFAOYSA-N 2 1 321.465 1.045 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001392946531 905768427 /nfs/dbraw/zinc/76/84/27/905768427.db2.gz AZBSQTKPXKEONG-UHFFFAOYSA-N 2 1 320.462 1.700 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282518859 905848864 /nfs/dbraw/zinc/84/88/64/905848864.db2.gz ZCVBLSDGQPZQPY-BZUAXINKSA-N 2 1 323.481 1.234 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001283331699 907149735 /nfs/dbraw/zinc/14/97/35/907149735.db2.gz FJPXPUGUHUHONU-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001283331699 907149747 /nfs/dbraw/zinc/14/97/47/907149747.db2.gz FJPXPUGUHUHONU-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001283331699 907149749 /nfs/dbraw/zinc/14/97/49/907149749.db2.gz FJPXPUGUHUHONU-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001284087393 908455364 /nfs/dbraw/zinc/45/53/64/908455364.db2.gz OUXJBVUDKQJFEC-BPQIPLTHSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001284510275 909114715 /nfs/dbraw/zinc/11/47/15/909114715.db2.gz WLVQFGNDFOVKJE-JYJNAYRXSA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001284510275 909114720 /nfs/dbraw/zinc/11/47/20/909114720.db2.gz WLVQFGNDFOVKJE-JYJNAYRXSA-N 2 1 311.470 1.044 20 30 DDEDMP C=CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001284510275 909114728 /nfs/dbraw/zinc/11/47/28/909114728.db2.gz WLVQFGNDFOVKJE-JYJNAYRXSA-N 2 1 311.470 1.044 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001316638698 910391355 /nfs/dbraw/zinc/39/13/55/910391355.db2.gz ZCWZDSCKJRNZBG-VQHPVUNQSA-N 2 1 303.450 1.511 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000341912140 529822997 /nfs/dbraw/zinc/82/29/97/529822997.db2.gz VQLARQDPQBZZPB-XSLAGTTESA-N 2 1 308.466 1.175 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccc(F)cc1 ZINC000424148951 529916398 /nfs/dbraw/zinc/91/63/98/529916398.db2.gz VLMVOOMUTRNADG-OAHLLOKOSA-N 2 1 306.385 1.395 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762565 354282230 /nfs/dbraw/zinc/28/22/30/354282230.db2.gz FSAMEQKAODHEBV-CVEARBPZSA-N 2 1 320.481 1.991 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762565 354282231 /nfs/dbraw/zinc/28/22/31/354282231.db2.gz FSAMEQKAODHEBV-CVEARBPZSA-N 2 1 320.481 1.991 20 30 DDEDMP C=CCCn1cc(CN2CC[C@H]([NH+]3CCN(CC)CC3)C2)nn1 ZINC000593958763 356073013 /nfs/dbraw/zinc/07/30/13/356073013.db2.gz MZEIBHVFSYSLMX-KRWDZBQOSA-N 2 1 318.469 1.066 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000272028196 209398510 /nfs/dbraw/zinc/39/85/10/209398510.db2.gz OJISPADRMQMWDC-RDJZCZTQSA-N 2 1 301.434 1.789 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000272028196 209398514 /nfs/dbraw/zinc/39/85/14/209398514.db2.gz OJISPADRMQMWDC-RDJZCZTQSA-N 2 1 301.434 1.789 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000348261595 223381630 /nfs/dbraw/zinc/38/16/30/223381630.db2.gz GZXSFJLPCJXNHN-WMLDXEAASA-N 2 1 319.453 1.956 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000348261595 223381633 /nfs/dbraw/zinc/38/16/33/223381633.db2.gz GZXSFJLPCJXNHN-WMLDXEAASA-N 2 1 319.453 1.956 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000113514090 194598038 /nfs/dbraw/zinc/59/80/38/194598038.db2.gz MLABFVDUKJOACL-CVEARBPZSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000113514090 194598039 /nfs/dbraw/zinc/59/80/39/194598039.db2.gz MLABFVDUKJOACL-CVEARBPZSA-N 2 1 303.406 1.181 20 30 DDEDMP C=CCCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000076735415 406973866 /nfs/dbraw/zinc/97/38/66/406973866.db2.gz QWIHIBVFWMKRMK-INIZCTEOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000076735415 406973867 /nfs/dbraw/zinc/97/38/67/406973867.db2.gz QWIHIBVFWMKRMK-INIZCTEOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000076735415 406973868 /nfs/dbraw/zinc/97/38/68/406973868.db2.gz QWIHIBVFWMKRMK-INIZCTEOSA-N 2 1 311.470 1.357 20 30 DDEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])N(C)C)cc2)CC1 ZINC000170912525 407552678 /nfs/dbraw/zinc/55/26/78/407552678.db2.gz ILJKYILKUAKVFT-UHFFFAOYSA-N 2 1 303.454 1.200 20 30 DDEDMP CN(CC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152381311 407625958 /nfs/dbraw/zinc/62/59/58/407625958.db2.gz YLBYRWJTXKYVIC-OAHLLOKOSA-N 2 1 300.406 1.770 20 30 DDEDMP CC[NH+]=C(NCc1ccoc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179082171 407716428 /nfs/dbraw/zinc/71/64/28/407716428.db2.gz OVWHJFZNNQMBMN-MRXNPFEDSA-N 2 1 320.437 1.399 20 30 DDEDMP C=CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121269300 408174499 /nfs/dbraw/zinc/17/44/99/408174499.db2.gz UMLPEVGYFSDOBK-DOTOQJQBSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121269300 408174505 /nfs/dbraw/zinc/17/45/05/408174505.db2.gz UMLPEVGYFSDOBK-DOTOQJQBSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000121269300 408174508 /nfs/dbraw/zinc/17/45/08/408174508.db2.gz UMLPEVGYFSDOBK-DOTOQJQBSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000121269300 408174513 /nfs/dbraw/zinc/17/45/13/408174513.db2.gz UMLPEVGYFSDOBK-DOTOQJQBSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+](C)CCCc2[nH+]ccn2CCC)C1=O ZINC000281412266 408884872 /nfs/dbraw/zinc/88/48/72/408884872.db2.gz RFKQCZDOSDJJMT-HNNXBMFYSA-N 2 1 304.438 1.944 20 30 DDEDMP C=CCN1CC[C@H]([N@H+](C)CCCc2[nH+]ccn2CCC)C1=O ZINC000281412266 408884874 /nfs/dbraw/zinc/88/48/74/408884874.db2.gz RFKQCZDOSDJJMT-HNNXBMFYSA-N 2 1 304.438 1.944 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(C)cc(Cl)n1 ZINC000283828358 409224140 /nfs/dbraw/zinc/22/41/40/409224140.db2.gz QXTPVPZPBZCNIX-CYBMUJFWSA-N 2 1 309.845 1.932 20 30 DDEDMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000320440174 409901850 /nfs/dbraw/zinc/90/18/50/409901850.db2.gz WEGPCCQXKBJVOS-QGZVFWFLSA-N 2 1 317.433 1.714 20 30 DDEDMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000320440174 409901858 /nfs/dbraw/zinc/90/18/58/409901858.db2.gz WEGPCCQXKBJVOS-QGZVFWFLSA-N 2 1 317.433 1.714 20 30 DDEDMP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000330296467 410618630 /nfs/dbraw/zinc/61/86/30/410618630.db2.gz KETIFWLZLIQMLI-KFWWJZLASA-N 2 1 319.453 1.774 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000330296467 410618637 /nfs/dbraw/zinc/61/86/37/410618637.db2.gz KETIFWLZLIQMLI-KFWWJZLASA-N 2 1 319.453 1.774 20 30 DDEDMP CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000264149479 222326288 /nfs/dbraw/zinc/32/62/88/222326288.db2.gz YTLIFUWKMIHWPP-OAHLLOKOSA-N 2 1 304.438 1.974 20 30 DDEDMP C[NH+]=C(NCc1cccs1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262439706 222280474 /nfs/dbraw/zinc/28/04/74/222280474.db2.gz MZWVOMNNCUSHQC-CQSZACIVSA-N 2 1 312.508 1.850 20 30 DDEDMP COCCNC(=[NH2+])NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000264055188 222310882 /nfs/dbraw/zinc/31/08/82/222310882.db2.gz ANMSBYVTVDGNAC-HNNXBMFYSA-N 2 1 318.465 1.969 20 30 DDEDMP C[NH+]=C(NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)NC1CC1 ZINC000264044591 222311733 /nfs/dbraw/zinc/31/17/33/222311733.db2.gz KBSNGKQWSSEYDO-CQSZACIVSA-N 2 1 316.449 1.735 20 30 DDEDMP C[NH+]=C(NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)NC1CC1 ZINC000264044591 222311736 /nfs/dbraw/zinc/31/17/36/222311736.db2.gz KBSNGKQWSSEYDO-CQSZACIVSA-N 2 1 316.449 1.735 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264101917 222317997 /nfs/dbraw/zinc/31/79/97/222317997.db2.gz ONMZJSPPHSRSDK-INIZCTEOSA-N 2 1 304.438 1.102 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])NC3CC3)cc2)C[C@H](C)O1 ZINC000264100181 222318552 /nfs/dbraw/zinc/31/85/52/222318552.db2.gz MOCQGDIXTVTIGO-OKILXGFUSA-N 2 1 316.449 1.863 20 30 DDEDMP CCNC(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000264123739 222320474 /nfs/dbraw/zinc/32/04/74/222320474.db2.gz VRXHEMYNWSOCMI-UHFFFAOYSA-N 2 1 303.454 1.119 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc(F)c1F ZINC000267449785 222385228 /nfs/dbraw/zinc/38/52/28/222385228.db2.gz RDIYXYFGBGGXIO-CYBMUJFWSA-N 2 1 310.392 1.896 20 30 DDEDMP Cc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC000267449609 222386011 /nfs/dbraw/zinc/38/60/11/222386011.db2.gz QXLFJININDMCGS-CYBMUJFWSA-N 2 1 304.438 1.998 20 30 DDEDMP C(#CC[N@H+]1CC[C@]2(CCOC2)C1)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000365292437 418849996 /nfs/dbraw/zinc/84/99/96/418849996.db2.gz RIADKDMEBAPTMW-HDICACEKSA-N 2 1 304.434 1.215 20 30 DDEDMP C(#CC[N@@H+]1CC[C@@]2(CCOC2)C1)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000365292437 418849999 /nfs/dbraw/zinc/84/99/99/418849999.db2.gz RIADKDMEBAPTMW-HDICACEKSA-N 2 1 304.434 1.215 20 30 DDEDMP C(#CC[N@H+]1CC[C@@]2(CCOC2)C1)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000365292437 418850002 /nfs/dbraw/zinc/85/00/02/418850002.db2.gz RIADKDMEBAPTMW-HDICACEKSA-N 2 1 304.434 1.215 20 30 DDEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424142193 420312492 /nfs/dbraw/zinc/31/24/92/420312492.db2.gz DLFJLRXCJMWAAV-OIISXLGYSA-N 2 1 314.433 1.959 20 30 DDEDMP C[C@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)C[NH+]1CCCCC1 ZINC000550112848 303622695 /nfs/dbraw/zinc/62/26/95/303622695.db2.gz UTZGDAPKTRZRPB-CQSZACIVSA-N 2 1 312.421 1.813 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000348317434 526597615 /nfs/dbraw/zinc/59/76/15/526597615.db2.gz IYHKCZLCKQPRBK-CABCVRRESA-N 2 1 324.469 1.488 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000491546331 526809452 /nfs/dbraw/zinc/80/94/52/526809452.db2.gz VNWPVGKUIHHDAY-MRXNPFEDSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491710245 526810079 /nfs/dbraw/zinc/81/00/79/526810079.db2.gz RESGRNUCPFGVSN-YESZJQIVSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491710245 526810083 /nfs/dbraw/zinc/81/00/83/526810083.db2.gz RESGRNUCPFGVSN-YESZJQIVSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491710245 526810087 /nfs/dbraw/zinc/81/00/87/526810087.db2.gz RESGRNUCPFGVSN-YESZJQIVSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000491716191 526915190 /nfs/dbraw/zinc/91/51/90/526915190.db2.gz MFCVECKXJINIRC-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980217873 696710665 /nfs/dbraw/zinc/71/06/65/696710665.db2.gz UUQUYNPJZWYROD-HRCADAONSA-N 2 1 303.450 1.485 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980217867 696710695 /nfs/dbraw/zinc/71/06/95/696710695.db2.gz UUQUYNPJZWYROD-ARFHVFGLSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971627125 695046180 /nfs/dbraw/zinc/04/61/80/695046180.db2.gz MIUGSVKHCAKPOK-CQSZACIVSA-N 2 1 305.447 1.589 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000971627124 695046347 /nfs/dbraw/zinc/04/63/47/695046347.db2.gz MIUGSVKHCAKPOK-AWEZNQCLSA-N 2 1 305.447 1.589 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389693 695237871 /nfs/dbraw/zinc/23/78/71/695237871.db2.gz UQALILXWFNTQRC-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389693 695237873 /nfs/dbraw/zinc/23/78/73/695237873.db2.gz UQALILXWFNTQRC-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389693 695237876 /nfs/dbraw/zinc/23/78/76/695237876.db2.gz UQALILXWFNTQRC-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC000972437790 695251156 /nfs/dbraw/zinc/25/11/56/695251156.db2.gz KTORYOCZGNQQRE-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972437790 695251158 /nfs/dbraw/zinc/25/11/58/695251158.db2.gz KTORYOCZGNQQRE-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437790 695251161 /nfs/dbraw/zinc/25/11/61/695251161.db2.gz KTORYOCZGNQQRE-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972437790 695251162 /nfs/dbraw/zinc/25/11/62/695251162.db2.gz KTORYOCZGNQQRE-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000972522025 695272321 /nfs/dbraw/zinc/27/23/21/695272321.db2.gz FFNZCEKBMGNKRN-INIZCTEOSA-N 2 1 319.453 1.167 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC000974655179 695705056 /nfs/dbraw/zinc/70/50/56/695705056.db2.gz JFJMGGJQSFEUQG-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000974655179 695705057 /nfs/dbraw/zinc/70/50/57/695705057.db2.gz JFJMGGJQSFEUQG-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974655179 695705059 /nfs/dbraw/zinc/70/50/59/695705059.db2.gz JFJMGGJQSFEUQG-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000974655179 695705062 /nfs/dbraw/zinc/70/50/62/695705062.db2.gz JFJMGGJQSFEUQG-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974980140 695772172 /nfs/dbraw/zinc/77/21/72/695772172.db2.gz VSICMHKNDNBLKE-HNNXBMFYSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974980140 695772174 /nfs/dbraw/zinc/77/21/74/695772174.db2.gz VSICMHKNDNBLKE-HNNXBMFYSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978631476 696428695 /nfs/dbraw/zinc/42/86/95/696428695.db2.gz TXWVPELSSARFSF-QUSNUVHPSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978631476 696428697 /nfs/dbraw/zinc/42/86/97/696428697.db2.gz TXWVPELSSARFSF-QUSNUVHPSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC000978631476 696428698 /nfs/dbraw/zinc/42/86/98/696428698.db2.gz TXWVPELSSARFSF-QUSNUVHPSA-N 2 1 303.450 1.034 20 30 DDEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000104172236 696619309 /nfs/dbraw/zinc/61/93/09/696619309.db2.gz XBWSRWFNUUDDDA-LBPRGKRZSA-N 2 1 304.394 1.526 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138663 696690448 /nfs/dbraw/zinc/69/04/48/696690448.db2.gz DKBQTVIEFFOTDJ-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138663 696690449 /nfs/dbraw/zinc/69/04/49/696690449.db2.gz DKBQTVIEFFOTDJ-GVDBMIGSSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000981963934 696988171 /nfs/dbraw/zinc/98/81/71/696988171.db2.gz AYORKLQGMMJXPZ-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981963934 696988175 /nfs/dbraw/zinc/98/81/75/696988175.db2.gz AYORKLQGMMJXPZ-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981963934 696988178 /nfs/dbraw/zinc/98/81/78/696988178.db2.gz AYORKLQGMMJXPZ-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982113082 697033450 /nfs/dbraw/zinc/03/34/50/697033450.db2.gz JIYAYTDKLUMFAE-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982113082 697033453 /nfs/dbraw/zinc/03/34/53/697033453.db2.gz JIYAYTDKLUMFAE-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982113082 697033456 /nfs/dbraw/zinc/03/34/56/697033456.db2.gz JIYAYTDKLUMFAE-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981524875 697118548 /nfs/dbraw/zinc/11/85/48/697118548.db2.gz SUIGTODWRCQLEC-KBPBESRZSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC000982428239 697127270 /nfs/dbraw/zinc/12/72/70/697127270.db2.gz GCTWLSHTOMQPKC-KDURUIRLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC000982830898 697183465 /nfs/dbraw/zinc/18/34/65/697183465.db2.gz CSLVPSHSZGSYSI-KDURUIRLSA-N 2 1 317.477 1.666 20 30 DDEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000172610114 697369673 /nfs/dbraw/zinc/36/96/73/697369673.db2.gz BGEGYXSVFGXXFR-INIZCTEOSA-N 2 1 324.432 1.966 20 30 DDEDMP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000172610114 697369675 /nfs/dbraw/zinc/36/96/75/697369675.db2.gz BGEGYXSVFGXXFR-INIZCTEOSA-N 2 1 324.432 1.966 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cccc(C#N)c2)C1 ZINC000779650157 698447997 /nfs/dbraw/zinc/44/79/97/698447997.db2.gz LVWQVDBTKSSSIV-OAHLLOKOSA-N 2 1 302.378 1.666 20 30 DDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cccc(C#N)c2)C1 ZINC000779650157 698447999 /nfs/dbraw/zinc/44/79/99/698447999.db2.gz LVWQVDBTKSSSIV-OAHLLOKOSA-N 2 1 302.378 1.666 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303267835 698604318 /nfs/dbraw/zinc/60/43/18/698604318.db2.gz XVDCLXIDPRITIT-CQSZACIVSA-N 2 1 304.438 1.722 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000305159643 698637271 /nfs/dbraw/zinc/63/72/71/698637271.db2.gz BCLMYOYBALOVOU-SJORKVTESA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000305159643 698637273 /nfs/dbraw/zinc/63/72/73/698637273.db2.gz BCLMYOYBALOVOU-SJORKVTESA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000305159643 698637278 /nfs/dbraw/zinc/63/72/78/698637278.db2.gz BCLMYOYBALOVOU-SJORKVTESA-N 3 1 323.529 1.743 20 30 DDEDMP C[C@@H](C#N)OCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000801916106 700353136 /nfs/dbraw/zinc/35/31/36/700353136.db2.gz RNJJAVBNQLOXBC-BBWFWOEESA-N 2 1 308.470 1.405 20 30 DDEDMP C[C@@H](C#N)OCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000801916106 700353141 /nfs/dbraw/zinc/35/31/41/700353141.db2.gz RNJJAVBNQLOXBC-BBWFWOEESA-N 2 1 308.470 1.405 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000764492243 700973836 /nfs/dbraw/zinc/97/38/36/700973836.db2.gz AVMRNWAHYXDLCR-SFHVURJKSA-N 2 1 315.461 1.785 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000841910930 702615414 /nfs/dbraw/zinc/61/54/14/702615414.db2.gz VRFUGDBQCRWLMP-IAGOWNOFSA-N 2 1 320.481 1.363 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000854736865 704446026 /nfs/dbraw/zinc/44/60/26/704446026.db2.gz IKKOVFYYOHQRPQ-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000855159952 704471696 /nfs/dbraw/zinc/47/16/96/704471696.db2.gz KIFLHJSTPPLBRE-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc(C#N)c1 ZINC000865089430 706346105 /nfs/dbraw/zinc/34/61/05/706346105.db2.gz QVBCKAKBZUWRJE-OAHLLOKOSA-N 2 1 318.421 1.639 20 30 DDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000865427034 706428479 /nfs/dbraw/zinc/42/84/79/706428479.db2.gz LKCAGDFDUKLDGR-UHFFFAOYSA-N 2 1 316.449 1.561 20 30 DDEDMP C[C@H]1C[N@@H+](CCC(=O)N(C)CCC#N)CCN1c1cc[nH+]cc1 ZINC000880260070 706923895 /nfs/dbraw/zinc/92/38/95/706923895.db2.gz NAYHKVHPWUCFFP-HNNXBMFYSA-N 2 1 315.421 1.354 20 30 DDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1CCCC[C@H]1C ZINC000884188618 708179117 /nfs/dbraw/zinc/17/91/17/708179117.db2.gz MBCMUABNAFHOBF-VXEMLPKJSA-N 2 1 318.465 1.505 20 30 DDEDMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884398619 708280516 /nfs/dbraw/zinc/28/05/16/708280516.db2.gz JBMFCKXKIRYDAM-YRTQGLMCSA-N 2 1 304.438 1.115 20 30 DDEDMP C#CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC[NH+](C)CC1 ZINC000886574696 708779416 /nfs/dbraw/zinc/77/94/16/708779416.db2.gz PJRIHVULZDVSAM-UHFFFAOYSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000888561005 709340469 /nfs/dbraw/zinc/34/04/69/709340469.db2.gz IMCLLHXQJMUMRO-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000888561005 709340471 /nfs/dbraw/zinc/34/04/71/709340471.db2.gz IMCLLHXQJMUMRO-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000890363372 709836232 /nfs/dbraw/zinc/83/62/32/709836232.db2.gz NGVILELOTHVGFH-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000890363372 709836238 /nfs/dbraw/zinc/83/62/38/709836238.db2.gz NGVILELOTHVGFH-HNNXBMFYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000890364199 709837122 /nfs/dbraw/zinc/83/71/22/709837122.db2.gz XWCZAQMNFAAWJD-HZPDHXFCSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000890364199 709837129 /nfs/dbraw/zinc/83/71/29/709837129.db2.gz XWCZAQMNFAAWJD-HZPDHXFCSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000890364199 709837135 /nfs/dbraw/zinc/83/71/35/709837135.db2.gz XWCZAQMNFAAWJD-HZPDHXFCSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000890364199 709837141 /nfs/dbraw/zinc/83/71/41/709837141.db2.gz XWCZAQMNFAAWJD-HZPDHXFCSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000890368979 709841702 /nfs/dbraw/zinc/84/17/02/709841702.db2.gz PITKOGPTEQARMK-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000890368979 709841707 /nfs/dbraw/zinc/84/17/07/709841707.db2.gz PITKOGPTEQARMK-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000890368979 709841711 /nfs/dbraw/zinc/84/17/11/709841711.db2.gz PITKOGPTEQARMK-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000890368979 709841716 /nfs/dbraw/zinc/84/17/16/709841716.db2.gz PITKOGPTEQARMK-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP N#CC1(CCCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CCC1 ZINC000903713243 711251729 /nfs/dbraw/zinc/25/17/29/711251729.db2.gz JMLPTEVAWJZDOR-HNNXBMFYSA-N 2 1 306.454 1.637 20 30 DDEDMP C#CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CSC1 ZINC000895814687 711614457 /nfs/dbraw/zinc/61/44/57/711614457.db2.gz WQUAODAVZCNXEP-UHFFFAOYSA-N 2 1 315.486 1.989 20 30 DDEDMP C#CCSCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000896041848 711667485 /nfs/dbraw/zinc/66/74/85/711667485.db2.gz CECMNOBZOGVHNR-OAHLLOKOSA-N 2 1 311.495 1.227 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905094506 711934652 /nfs/dbraw/zinc/93/46/52/711934652.db2.gz GDTDQIYHSPDFSU-ZWKOTPCHSA-N 2 1 304.434 1.711 20 30 DDEDMP C#CCC1(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000923199572 714270279 /nfs/dbraw/zinc/27/02/79/714270279.db2.gz UCIHQPUIBKVWCQ-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CCC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000923199572 714270280 /nfs/dbraw/zinc/27/02/80/714270280.db2.gz UCIHQPUIBKVWCQ-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3C)CC2)CC1 ZINC000957644848 715982080 /nfs/dbraw/zinc/98/20/80/715982080.db2.gz KYPHYAMVCMPNHC-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960174630 716440076 /nfs/dbraw/zinc/44/00/76/716440076.db2.gz KKMYARLTEIPWBJ-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960174630 716440080 /nfs/dbraw/zinc/44/00/80/716440080.db2.gz KKMYARLTEIPWBJ-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960174630 716440082 /nfs/dbraw/zinc/44/00/82/716440082.db2.gz KKMYARLTEIPWBJ-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(=C)C)C[C@H]21 ZINC000960348046 716500539 /nfs/dbraw/zinc/50/05/39/716500539.db2.gz QKXLLOUMSVGUCN-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(=C)C)C[C@H]21 ZINC000960348046 716500544 /nfs/dbraw/zinc/50/05/44/716500544.db2.gz QKXLLOUMSVGUCN-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(=C)C)C[C@H]21 ZINC000960348046 716500549 /nfs/dbraw/zinc/50/05/49/716500549.db2.gz QKXLLOUMSVGUCN-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(=C)C)C[C@H]21 ZINC000960348046 716500553 /nfs/dbraw/zinc/50/05/53/716500553.db2.gz QKXLLOUMSVGUCN-VVLHAWIVSA-N 2 1 301.434 1.097 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC000962562415 717515993 /nfs/dbraw/zinc/51/59/93/717515993.db2.gz ZDDXXMFNGGISED-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC000962562415 717515998 /nfs/dbraw/zinc/51/59/98/717515998.db2.gz ZDDXXMFNGGISED-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC000962562415 717516002 /nfs/dbraw/zinc/51/60/02/717516002.db2.gz ZDDXXMFNGGISED-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC000962562415 717516007 /nfs/dbraw/zinc/51/60/07/717516007.db2.gz ZDDXXMFNGGISED-BDXSIMOUSA-N 2 1 324.428 1.056 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943876272 718213296 /nfs/dbraw/zinc/21/32/96/718213296.db2.gz HRUJHNQYLOYSAD-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967203673 718790390 /nfs/dbraw/zinc/79/03/90/718790390.db2.gz GAZVWPGJNJTNCS-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967203673 718790394 /nfs/dbraw/zinc/79/03/94/718790394.db2.gz GAZVWPGJNJTNCS-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)CC[C@@H]2C1 ZINC000946631738 718859679 /nfs/dbraw/zinc/85/96/79/718859679.db2.gz WQLLMKWWGJMJOJ-QKPAOTATSA-N 2 1 312.417 1.317 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374522 718860546 /nfs/dbraw/zinc/86/05/46/718860546.db2.gz CUPIZVKQQUQYES-YOEHRIQHSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000967374522 718860549 /nfs/dbraw/zinc/86/05/49/718860549.db2.gz CUPIZVKQQUQYES-YOEHRIQHSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708229 718975115 /nfs/dbraw/zinc/97/51/15/718975115.db2.gz QISCFEZLMYAJGU-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000947796794 719272437 /nfs/dbraw/zinc/27/24/37/719272437.db2.gz RWUFDGCEWMLQDJ-GDBMZVCRSA-N 2 1 319.453 1.213 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948270303 719425984 /nfs/dbraw/zinc/42/59/84/719425984.db2.gz YENJQHOPBPUALM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000948270303 719425986 /nfs/dbraw/zinc/42/59/86/719425986.db2.gz YENJQHOPBPUALM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000948270303 719425987 /nfs/dbraw/zinc/42/59/87/719425987.db2.gz YENJQHOPBPUALM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000948270303 719425989 /nfs/dbraw/zinc/42/59/89/719425989.db2.gz YENJQHOPBPUALM-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364748 719469076 /nfs/dbraw/zinc/46/90/76/719469076.db2.gz JFOVDZPJFICVQX-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364748 719469077 /nfs/dbraw/zinc/46/90/77/719469077.db2.gz JFOVDZPJFICVQX-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364748 719469080 /nfs/dbraw/zinc/46/90/80/719469080.db2.gz JFOVDZPJFICVQX-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCC)CC1 ZINC000948449550 719505334 /nfs/dbraw/zinc/50/53/34/719505334.db2.gz UCFCTEGFHIEGOV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCC)CC1 ZINC000948449550 719505339 /nfs/dbraw/zinc/50/53/39/719505339.db2.gz UCFCTEGFHIEGOV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC)CC1 ZINC000948449550 719505341 /nfs/dbraw/zinc/50/53/41/719505341.db2.gz UCFCTEGFHIEGOV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCC)CC1 ZINC000948449550 719505347 /nfs/dbraw/zinc/50/53/47/719505347.db2.gz UCFCTEGFHIEGOV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC000948781976 719705350 /nfs/dbraw/zinc/70/53/50/719705350.db2.gz CLJCNQQILUGKAR-BZUAXINKSA-N 2 1 314.433 1.470 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C)CC[C@H]2C)CC1 ZINC000968682601 719733612 /nfs/dbraw/zinc/73/36/12/719733612.db2.gz SOABKOAWOUYQHF-NVXWUHKLSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000968954583 719896556 /nfs/dbraw/zinc/89/65/56/719896556.db2.gz MDFDYUPTSIFRLC-CVEARBPZSA-N 2 1 317.458 1.536 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC000968954583 719896561 /nfs/dbraw/zinc/89/65/61/719896561.db2.gz MDFDYUPTSIFRLC-CVEARBPZSA-N 2 1 317.458 1.536 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970026548 720603431 /nfs/dbraw/zinc/60/34/31/720603431.db2.gz GHWBHCRTVGFDQI-DOTOQJQBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000950501074 720659529 /nfs/dbraw/zinc/65/95/29/720659529.db2.gz NYSHLXMDQXIIDE-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000950501074 720659531 /nfs/dbraw/zinc/65/95/31/720659531.db2.gz NYSHLXMDQXIIDE-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021052943 732918576 /nfs/dbraw/zinc/91/85/76/732918576.db2.gz AILNZRYCDWYONX-QAQDUYKDSA-N 2 1 323.400 1.500 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172978 733082152 /nfs/dbraw/zinc/08/21/52/733082152.db2.gz KGFIYQYJLIGLIX-IRXDYDNUSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172978 733082155 /nfs/dbraw/zinc/08/21/55/733082155.db2.gz KGFIYQYJLIGLIX-IRXDYDNUSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172978 733082159 /nfs/dbraw/zinc/08/21/59/733082159.db2.gz KGFIYQYJLIGLIX-IRXDYDNUSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021717766 733481236 /nfs/dbraw/zinc/48/12/36/733481236.db2.gz QYZFYASOPHTZRW-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884517 738771860 /nfs/dbraw/zinc/77/18/60/738771860.db2.gz AMKXCCBKSYFUFY-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001022712966 734721296 /nfs/dbraw/zinc/72/12/96/734721296.db2.gz FAMAOQPFGSXSGD-KFWWJZLASA-N 2 1 302.422 1.567 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247714 734806186 /nfs/dbraw/zinc/80/61/86/734806186.db2.gz CDUNSXSOKNQRPX-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247714 734806191 /nfs/dbraw/zinc/80/61/91/734806191.db2.gz CDUNSXSOKNQRPX-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001023424466 735226894 /nfs/dbraw/zinc/22/68/94/735226894.db2.gz ZFVGWERMBQLBKJ-CVEARBPZSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001023424466 735226896 /nfs/dbraw/zinc/22/68/96/735226896.db2.gz ZFVGWERMBQLBKJ-CVEARBPZSA-N 2 1 323.868 1.665 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001024505685 735883601 /nfs/dbraw/zinc/88/36/01/735883601.db2.gz GHVULFQFFSECSZ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001024505685 735883606 /nfs/dbraw/zinc/88/36/06/735883606.db2.gz GHVULFQFFSECSZ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024505685 735883612 /nfs/dbraw/zinc/88/36/12/735883612.db2.gz GHVULFQFFSECSZ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001024505685 735883617 /nfs/dbraw/zinc/88/36/17/735883617.db2.gz GHVULFQFFSECSZ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244873 761883205 /nfs/dbraw/zinc/88/32/05/761883205.db2.gz ZHTJJZKNQPUTRR-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244873 761883217 /nfs/dbraw/zinc/88/32/17/761883217.db2.gz ZHTJJZKNQPUTRR-IRXDYDNUSA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001026285225 737297705 /nfs/dbraw/zinc/29/77/05/737297705.db2.gz YGTBWJTVNXJTIW-USXIJHARSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001026550815 737655327 /nfs/dbraw/zinc/65/53/27/737655327.db2.gz WWTSOTUVPYXSHX-QQFBHYJXSA-N 2 1 314.433 1.404 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001026893956 737942938 /nfs/dbraw/zinc/94/29/38/737942938.db2.gz RVMGPKGTNGTMLR-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001026893956 737942943 /nfs/dbraw/zinc/94/29/43/737942943.db2.gz RVMGPKGTNGTMLR-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027439863 738296757 /nfs/dbraw/zinc/29/67/57/738296757.db2.gz UJAJRVMEUAAECN-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439863 738296759 /nfs/dbraw/zinc/29/67/59/738296759.db2.gz UJAJRVMEUAAECN-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439863 738296761 /nfs/dbraw/zinc/29/67/61/738296761.db2.gz UJAJRVMEUAAECN-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001028088923 739016281 /nfs/dbraw/zinc/01/62/81/739016281.db2.gz RFRGYQAEOXLDLI-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088923 739016285 /nfs/dbraw/zinc/01/62/85/739016285.db2.gz RFRGYQAEOXLDLI-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001028088923 739016288 /nfs/dbraw/zinc/01/62/88/739016288.db2.gz RFRGYQAEOXLDLI-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138456 739080244 /nfs/dbraw/zinc/08/02/44/739080244.db2.gz TUNXAHAYYNDNKJ-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138456 739080249 /nfs/dbraw/zinc/08/02/49/739080249.db2.gz TUNXAHAYYNDNKJ-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001028647570 739847333 /nfs/dbraw/zinc/84/73/33/739847333.db2.gz KDBRDFBJCIQENY-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647570 739847339 /nfs/dbraw/zinc/84/73/39/739847339.db2.gz KDBRDFBJCIQENY-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001028647570 739847345 /nfs/dbraw/zinc/84/73/45/739847345.db2.gz KDBRDFBJCIQENY-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035417187 751498418 /nfs/dbraw/zinc/49/84/18/751498418.db2.gz RUELEAMTCILGFI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035417187 751498422 /nfs/dbraw/zinc/49/84/22/751498422.db2.gz RUELEAMTCILGFI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035417187 751498424 /nfs/dbraw/zinc/49/84/24/751498424.db2.gz RUELEAMTCILGFI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028765710 740010324 /nfs/dbraw/zinc/01/03/24/740010324.db2.gz DWXOBLSJRHPDOA-CQSZACIVSA-N 2 1 303.406 1.416 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768101 740013139 /nfs/dbraw/zinc/01/31/39/740013139.db2.gz VWUZVVRHKNENPI-LSDHHAIUSA-N 2 1 302.422 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768101 740013143 /nfs/dbraw/zinc/01/31/43/740013143.db2.gz VWUZVVRHKNENPI-LSDHHAIUSA-N 2 1 302.422 1.378 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1CC ZINC001087642027 740688607 /nfs/dbraw/zinc/68/86/07/740688607.db2.gz PXWWAVNXXVWGRY-DLBZAZTESA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014187 740947099 /nfs/dbraw/zinc/94/70/99/740947099.db2.gz JKBBPZTVMYEHQD-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001037980576 751622861 /nfs/dbraw/zinc/62/28/61/751622861.db2.gz YWZKRZPYNQUFLD-CVEARBPZSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001088339303 741412668 /nfs/dbraw/zinc/41/26/68/741412668.db2.gz BWCLPHPSMYNABS-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418888 742721694 /nfs/dbraw/zinc/72/16/94/742721694.db2.gz UQRNFULCZOKYCA-ZWKOTPCHSA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncn3C)[C@@H]2C1 ZINC001076517811 742762285 /nfs/dbraw/zinc/76/22/85/742762285.db2.gz YNLQEXRANSEQEM-DOTOQJQBSA-N 2 1 316.449 1.852 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077131452 743262667 /nfs/dbraw/zinc/26/26/67/743262667.db2.gz BGMVVPCDTXQGLM-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077131452 743262675 /nfs/dbraw/zinc/26/26/75/743262675.db2.gz BGMVVPCDTXQGLM-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077131452 743262681 /nfs/dbraw/zinc/26/26/81/743262681.db2.gz BGMVVPCDTXQGLM-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077131452 743262687 /nfs/dbraw/zinc/26/26/87/743262687.db2.gz BGMVVPCDTXQGLM-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065594 743692742 /nfs/dbraw/zinc/69/27/42/743692742.db2.gz BUJRWBVQNFHMAG-GFCCVEGCSA-N 2 1 318.259 1.474 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136807 744167165 /nfs/dbraw/zinc/16/71/65/744167165.db2.gz LFNFURUEKFUDMH-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136807 744167167 /nfs/dbraw/zinc/16/71/67/744167167.db2.gz LFNFURUEKFUDMH-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355524 744383067 /nfs/dbraw/zinc/38/30/67/744383067.db2.gz DLMGKSRHDKXKIM-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188985612 744804022 /nfs/dbraw/zinc/80/40/22/744804022.db2.gz NZDLSCIHICLIJX-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190175375 745140133 /nfs/dbraw/zinc/14/01/33/745140133.db2.gz JKIUIALGZMBXBL-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190248173 745160696 /nfs/dbraw/zinc/16/06/96/745160696.db2.gz XVEDSTUOWQWRGA-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190248173 745160697 /nfs/dbraw/zinc/16/06/97/745160697.db2.gz XVEDSTUOWQWRGA-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099193467 745281330 /nfs/dbraw/zinc/28/13/30/745281330.db2.gz CHVIODDISUTZOU-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203731400 745390339 /nfs/dbraw/zinc/39/03/39/745390339.db2.gz OBPOMIDNZXISAZ-GJZGRUSLSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191028869 745408144 /nfs/dbraw/zinc/40/81/44/745408144.db2.gz DXQGWYBGKSCNLC-MRXNPFEDSA-N 2 1 300.406 1.074 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106665801 745884562 /nfs/dbraw/zinc/88/45/62/745884562.db2.gz BUHCJIGCTPDNLX-GVDBMIGSSA-N 2 1 323.481 1.215 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192867430 745908778 /nfs/dbraw/zinc/90/87/78/745908778.db2.gz QGXHOQRTUZVOOM-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192867430 745908780 /nfs/dbraw/zinc/90/87/80/745908780.db2.gz QGXHOQRTUZVOOM-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193028637 745964422 /nfs/dbraw/zinc/96/44/22/745964422.db2.gz VWXLQUKBEHASED-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352899 746099865 /nfs/dbraw/zinc/09/98/65/746099865.db2.gz WQZPSGBLPPHHBQ-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352899 746099871 /nfs/dbraw/zinc/09/98/71/746099871.db2.gz WQZPSGBLPPHHBQ-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352899 746099878 /nfs/dbraw/zinc/09/98/78/746099878.db2.gz WQZPSGBLPPHHBQ-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352899 746099881 /nfs/dbraw/zinc/09/98/81/746099881.db2.gz WQZPSGBLPPHHBQ-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993475163 746166185 /nfs/dbraw/zinc/16/61/85/746166185.db2.gz FJWVYJUTMSANRI-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993479539 746167786 /nfs/dbraw/zinc/16/77/86/746167786.db2.gz MXZYPHQHJWCVIP-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993531672 746200757 /nfs/dbraw/zinc/20/07/57/746200757.db2.gz UMTBGBUHGQLTDI-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993531672 746200758 /nfs/dbraw/zinc/20/07/58/746200758.db2.gz UMTBGBUHGQLTDI-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993685815 746275574 /nfs/dbraw/zinc/27/55/74/746275574.db2.gz SFDAGFUMZRELPS-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCF)[C@@H]2C)CC1 ZINC000994505268 746699252 /nfs/dbraw/zinc/69/92/52/746699252.db2.gz ZGUSLIVGQBYYSE-NVXWUHKLSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001195908135 746734669 /nfs/dbraw/zinc/73/46/69/746734669.db2.gz VDQLWPGTGCXZMB-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001195908135 746734673 /nfs/dbraw/zinc/73/46/73/746734673.db2.gz VDQLWPGTGCXZMB-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001195908135 746734677 /nfs/dbraw/zinc/73/46/77/746734677.db2.gz VDQLWPGTGCXZMB-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC(C)(C)C1 ZINC001089527594 747158315 /nfs/dbraw/zinc/15/83/15/747158315.db2.gz QSODTFMVCFHCFU-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496663 752174422 /nfs/dbraw/zinc/17/44/22/752174422.db2.gz QRFKZWNEZKYNRF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496663 752174424 /nfs/dbraw/zinc/17/44/24/752174424.db2.gz QRFKZWNEZKYNRF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007496663 752174425 /nfs/dbraw/zinc/17/44/25/752174425.db2.gz QRFKZWNEZKYNRF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007496663 752174427 /nfs/dbraw/zinc/17/44/27/752174427.db2.gz QRFKZWNEZKYNRF-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001031790945 747850395 /nfs/dbraw/zinc/85/03/95/747850395.db2.gz XCPXYWSHNDULGD-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001003983341 747874388 /nfs/dbraw/zinc/87/43/88/747874388.db2.gz KJCFYZLZSLTZFM-UHFFFAOYSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CCCO1 ZINC001200704658 748324022 /nfs/dbraw/zinc/32/40/22/748324022.db2.gz OMCAVKAFCAGLAV-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201052382 748407922 /nfs/dbraw/zinc/40/79/22/748407922.db2.gz DSUJPEDVGYZNQW-OAHLLOKOSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004618976 748594616 /nfs/dbraw/zinc/59/46/16/748594616.db2.gz ZBESDYOXNNBCRN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618976 748594618 /nfs/dbraw/zinc/59/46/18/748594618.db2.gz ZBESDYOXNNBCRN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004618976 748594620 /nfs/dbraw/zinc/59/46/20/748594620.db2.gz ZBESDYOXNNBCRN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551608 748619455 /nfs/dbraw/zinc/61/94/55/748619455.db2.gz ACAPPSFKSTUQCM-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551608 748619459 /nfs/dbraw/zinc/61/94/59/748619459.db2.gz ACAPPSFKSTUQCM-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551608 748619463 /nfs/dbraw/zinc/61/94/63/748619463.db2.gz ACAPPSFKSTUQCM-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001032119149 748670979 /nfs/dbraw/zinc/67/09/79/748670979.db2.gz HBEBFNDGTSKEAC-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212409583 752301797 /nfs/dbraw/zinc/30/17/97/752301797.db2.gz IJVBDTVCVPQXLI-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996309223 749502255 /nfs/dbraw/zinc/50/22/55/749502255.db2.gz HOJNTCPOKQVCQQ-GDBMZVCRSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108343804 761960034 /nfs/dbraw/zinc/96/00/34/761960034.db2.gz ATAJDLGWKFIOFJ-QGZVFWFLSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039374757 761976051 /nfs/dbraw/zinc/97/60/51/761976051.db2.gz JGYMBFDBAHLESW-SQNIBIBYSA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001039394056 761993474 /nfs/dbraw/zinc/99/34/74/761993474.db2.gz LTKWMQWRKFNFDP-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C ZINC001039394056 761993481 /nfs/dbraw/zinc/99/34/81/761993481.db2.gz LTKWMQWRKFNFDP-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001039394056 761993489 /nfs/dbraw/zinc/99/34/89/761993489.db2.gz LTKWMQWRKFNFDP-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001039394056 761993494 /nfs/dbraw/zinc/99/34/94/761993494.db2.gz LTKWMQWRKFNFDP-IXDOHACOSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005383569 749936825 /nfs/dbraw/zinc/93/68/25/749936825.db2.gz JBKHMNXLMRPTHQ-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438870 749959285 /nfs/dbraw/zinc/95/92/85/749959285.db2.gz LTZCCURUOMYVFP-ZHALLVOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107585700 750191092 /nfs/dbraw/zinc/19/10/92/750191092.db2.gz KYOBGZIMTXEFIA-IEBWSBKVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001107620242 750259459 /nfs/dbraw/zinc/25/94/59/750259459.db2.gz FPSDBNVIAPCBBW-NVXWUHKLSA-N 2 1 302.422 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045588 750311680 /nfs/dbraw/zinc/31/16/80/750311680.db2.gz MAJQMFFURIQNEQ-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045588 750311685 /nfs/dbraw/zinc/31/16/85/750311685.db2.gz MAJQMFFURIQNEQ-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114501576 750664138 /nfs/dbraw/zinc/66/41/38/750664138.db2.gz FLEMKTWGKPHYLY-ZSHCYNCHSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501576 750664141 /nfs/dbraw/zinc/66/41/41/750664141.db2.gz FLEMKTWGKPHYLY-ZSHCYNCHSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501576 750664145 /nfs/dbraw/zinc/66/41/45/750664145.db2.gz FLEMKTWGKPHYLY-ZSHCYNCHSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001000677446 762080429 /nfs/dbraw/zinc/08/04/29/762080429.db2.gz HZBCIRCDIJNCRV-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001000677446 762080435 /nfs/dbraw/zinc/08/04/35/762080435.db2.gz HZBCIRCDIJNCRV-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001000742465 762145955 /nfs/dbraw/zinc/14/59/55/762145955.db2.gz MMWFRNXOJJHGGN-UHFFFAOYSA-N 2 1 317.458 1.805 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008279214 752649040 /nfs/dbraw/zinc/64/90/40/752649040.db2.gz QSAWTNGYFLWEIC-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008279214 752649043 /nfs/dbraw/zinc/64/90/43/752649043.db2.gz QSAWTNGYFLWEIC-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008279214 752649045 /nfs/dbraw/zinc/64/90/45/752649045.db2.gz QSAWTNGYFLWEIC-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008279214 752649047 /nfs/dbraw/zinc/64/90/47/752649047.db2.gz QSAWTNGYFLWEIC-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000767814 762177178 /nfs/dbraw/zinc/17/71/78/762177178.db2.gz SMIXGYIQSNILRU-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000767814 762177180 /nfs/dbraw/zinc/17/71/80/762177180.db2.gz SMIXGYIQSNILRU-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001000767814 762177183 /nfs/dbraw/zinc/17/71/83/762177183.db2.gz SMIXGYIQSNILRU-GOSISDBHSA-N 2 1 317.477 1.736 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108009886 753498624 /nfs/dbraw/zinc/49/86/24/753498624.db2.gz JXPWEDYJWAIACQ-RDJZCZTQSA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014466279 755747114 /nfs/dbraw/zinc/74/71/14/755747114.db2.gz CAVPNKMWJMDPEC-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001000967184 762422888 /nfs/dbraw/zinc/42/28/88/762422888.db2.gz GJQZBBJBHFHFMJ-KBPBESRZSA-N 2 1 315.845 1.040 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001000967184 762422891 /nfs/dbraw/zinc/42/28/91/762422891.db2.gz GJQZBBJBHFHFMJ-KBPBESRZSA-N 2 1 315.845 1.040 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095927551 756518670 /nfs/dbraw/zinc/51/86/70/756518670.db2.gz CQZODCBKWWMYRS-FSDCSDTHSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001095927551 756518674 /nfs/dbraw/zinc/51/86/74/756518674.db2.gz CQZODCBKWWMYRS-FSDCSDTHSA-N 2 1 314.433 1.661 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](OC)C1 ZINC001081947335 756559029 /nfs/dbraw/zinc/55/90/29/756559029.db2.gz XHCXDDAGWCBVNW-HZPDHXFCSA-N 2 1 314.389 1.339 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097220182 756988373 /nfs/dbraw/zinc/98/83/73/756988373.db2.gz MENPMHCCRVWZAY-VQHPVUNQSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097220182 756988375 /nfs/dbraw/zinc/98/83/75/756988375.db2.gz MENPMHCCRVWZAY-VQHPVUNQSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097220182 756988378 /nfs/dbraw/zinc/98/83/78/756988378.db2.gz MENPMHCCRVWZAY-VQHPVUNQSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097220181 756988986 /nfs/dbraw/zinc/98/89/86/756988986.db2.gz MENPMHCCRVWZAY-HZMVEIRTSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097220181 756988988 /nfs/dbraw/zinc/98/89/88/756988988.db2.gz MENPMHCCRVWZAY-HZMVEIRTSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001097220181 756988994 /nfs/dbraw/zinc/98/89/94/756988994.db2.gz MENPMHCCRVWZAY-HZMVEIRTSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040367767 762510172 /nfs/dbraw/zinc/51/01/72/762510172.db2.gz BCIYLDKZQUVTOV-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040381136 762516310 /nfs/dbraw/zinc/51/63/10/762516310.db2.gz VLMNFCMSBBYFPY-MJGOQNOKSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001016554113 757154739 /nfs/dbraw/zinc/15/47/39/757154739.db2.gz VZERMJDXBOELRL-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001016554113 757154744 /nfs/dbraw/zinc/15/47/44/757154744.db2.gz VZERMJDXBOELRL-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001016688667 757268918 /nfs/dbraw/zinc/26/89/18/757268918.db2.gz ULNFQXKOBMTGAJ-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040531656 762580544 /nfs/dbraw/zinc/58/05/44/762580544.db2.gz RLOBSRZOLHHIAN-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040531656 762580550 /nfs/dbraw/zinc/58/05/50/762580550.db2.gz RLOBSRZOLHHIAN-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040531656 762580556 /nfs/dbraw/zinc/58/05/56/762580556.db2.gz RLOBSRZOLHHIAN-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853191 757982498 /nfs/dbraw/zinc/98/24/98/757982498.db2.gz SWNJLCFEYLYKMZ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853191 757982505 /nfs/dbraw/zinc/98/25/05/757982505.db2.gz SWNJLCFEYLYKMZ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017710 758152610 /nfs/dbraw/zinc/15/26/10/758152610.db2.gz SZVWKAFIVWMJAK-YVSFHVDLSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017710 758152616 /nfs/dbraw/zinc/15/26/16/758152616.db2.gz SZVWKAFIVWMJAK-YVSFHVDLSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085017710 758152627 /nfs/dbraw/zinc/15/26/27/758152627.db2.gz SZVWKAFIVWMJAK-YVSFHVDLSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001017689547 758155656 /nfs/dbraw/zinc/15/56/56/758155656.db2.gz QPQUCDRLSTVNKJ-CALCHBBNSA-N 2 1 322.412 1.955 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001017689547 758155658 /nfs/dbraw/zinc/15/56/58/758155658.db2.gz QPQUCDRLSTVNKJ-CALCHBBNSA-N 2 1 322.412 1.955 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)CO2 ZINC001054017280 759066501 /nfs/dbraw/zinc/06/65/01/759066501.db2.gz UYZHOXQAMLZGJO-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)CO2 ZINC001054017280 759066509 /nfs/dbraw/zinc/06/65/09/759066509.db2.gz UYZHOXQAMLZGJO-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001252768 762698413 /nfs/dbraw/zinc/69/84/13/762698413.db2.gz OSPXGUNQPZAVLI-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001252768 762698415 /nfs/dbraw/zinc/69/84/15/762698415.db2.gz OSPXGUNQPZAVLI-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001252768 762698421 /nfs/dbraw/zinc/69/84/21/762698421.db2.gz OSPXGUNQPZAVLI-QZTJIDSGSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198370 759285482 /nfs/dbraw/zinc/28/54/82/759285482.db2.gz WSDGRAWVYNRSCA-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054198370 759285490 /nfs/dbraw/zinc/28/54/90/759285490.db2.gz WSDGRAWVYNRSCA-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001054198370 759285494 /nfs/dbraw/zinc/28/54/94/759285494.db2.gz WSDGRAWVYNRSCA-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227269 759316742 /nfs/dbraw/zinc/31/67/42/759316742.db2.gz GBPNENZXTVVJTI-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227269 759316750 /nfs/dbraw/zinc/31/67/50/759316750.db2.gz GBPNENZXTVVJTI-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054227269 759316758 /nfs/dbraw/zinc/31/67/58/759316758.db2.gz GBPNENZXTVVJTI-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001097971677 760311362 /nfs/dbraw/zinc/31/13/62/760311362.db2.gz FWAYIEMZJYNRSR-TVFCKZIOSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001108213393 760385642 /nfs/dbraw/zinc/38/56/42/760385642.db2.gz NXZJCSQBCXPUNU-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213393 760385652 /nfs/dbraw/zinc/38/56/52/760385652.db2.gz NXZJCSQBCXPUNU-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213393 760385663 /nfs/dbraw/zinc/38/56/63/760385663.db2.gz NXZJCSQBCXPUNU-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213393 760385674 /nfs/dbraw/zinc/38/56/74/760385674.db2.gz NXZJCSQBCXPUNU-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001085866529 760411097 /nfs/dbraw/zinc/41/10/97/760411097.db2.gz KYGKFSYQJKSQCT-MRXNPFEDSA-N 2 1 319.453 1.167 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984557 760663240 /nfs/dbraw/zinc/66/32/40/760663240.db2.gz HEGALTQYLIYKDF-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001085984557 760663243 /nfs/dbraw/zinc/66/32/43/760663243.db2.gz HEGALTQYLIYKDF-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](O)C1 ZINC001100039985 761112757 /nfs/dbraw/zinc/11/27/57/761112757.db2.gz ZJJHZVKAYDQWBF-DLBZAZTESA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100039985 761112762 /nfs/dbraw/zinc/11/27/62/761112762.db2.gz ZJJHZVKAYDQWBF-DLBZAZTESA-N 2 1 323.481 1.073 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H](O)C1 ZINC001100039985 761112768 /nfs/dbraw/zinc/11/27/68/761112768.db2.gz ZJJHZVKAYDQWBF-DLBZAZTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001000237311 761592989 /nfs/dbraw/zinc/59/29/89/761592989.db2.gz NGTWZECIZVVIMS-KRWDZBQOSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001001325284 762763134 /nfs/dbraw/zinc/76/31/34/762763134.db2.gz PPRALTXHQLESHT-UHFFFAOYSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001001393241 762820007 /nfs/dbraw/zinc/82/00/07/762820007.db2.gz NNASVNWJFXHISJ-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001001473076 762894912 /nfs/dbraw/zinc/89/49/12/762894912.db2.gz HRKPXFSZDBEYIF-GOSISDBHSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](C(C)C)CC2)CC1 ZINC001001473081 762895293 /nfs/dbraw/zinc/89/52/93/762895293.db2.gz WIKBPPOGCUXXCY-UHFFFAOYSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001474215 762896005 /nfs/dbraw/zinc/89/60/05/762896005.db2.gz VKEJDGBKOARWKM-GOSISDBHSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001108777659 762923927 /nfs/dbraw/zinc/92/39/27/762923927.db2.gz DGWQUAXYXWJUTB-BBWFWOEESA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041274775 762925768 /nfs/dbraw/zinc/92/57/68/762925768.db2.gz BLCYXFLEJXKMKD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274775 762925771 /nfs/dbraw/zinc/92/57/71/762925771.db2.gz BLCYXFLEJXKMKD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274775 762925777 /nfs/dbraw/zinc/92/57/77/762925777.db2.gz BLCYXFLEJXKMKD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC=C)C2)C1 ZINC001041372035 762985077 /nfs/dbraw/zinc/98/50/77/762985077.db2.gz PWAOMDNLFFAUAJ-FUHWJXTLSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC=C)C2)C1 ZINC001041372035 762985082 /nfs/dbraw/zinc/98/50/82/762985082.db2.gz PWAOMDNLFFAUAJ-FUHWJXTLSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC=C)C2)C1 ZINC001041372035 762985084 /nfs/dbraw/zinc/98/50/84/762985084.db2.gz PWAOMDNLFFAUAJ-FUHWJXTLSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC=C)C2)C1 ZINC001041372035 762985088 /nfs/dbraw/zinc/98/50/88/762985088.db2.gz PWAOMDNLFFAUAJ-FUHWJXTLSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050067828 763084579 /nfs/dbraw/zinc/08/45/79/763084579.db2.gz UARFPSZEJQARNA-ARFHVFGLSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001050067828 763084582 /nfs/dbraw/zinc/08/45/82/763084582.db2.gz UARFPSZEJQARNA-ARFHVFGLSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050085703 763113064 /nfs/dbraw/zinc/11/30/64/763113064.db2.gz KQPICQXSCSBGNC-FUHWJXTLSA-N 2 1 322.412 1.894 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041670827 763211444 /nfs/dbraw/zinc/21/14/44/763211444.db2.gz JQJPVPOOBWQZNH-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041670827 763211451 /nfs/dbraw/zinc/21/14/51/763211451.db2.gz JQJPVPOOBWQZNH-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041670827 763211458 /nfs/dbraw/zinc/21/14/58/763211458.db2.gz JQJPVPOOBWQZNH-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041726321 763259622 /nfs/dbraw/zinc/25/96/22/763259622.db2.gz VTJPUPPWHYJYSC-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202275 763313738 /nfs/dbraw/zinc/31/37/38/763313738.db2.gz LIXCUDPUNBRBFW-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001050202275 763313746 /nfs/dbraw/zinc/31/37/46/763313746.db2.gz LIXCUDPUNBRBFW-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785253 763325968 /nfs/dbraw/zinc/32/59/68/763325968.db2.gz DNDWKXSPJQCUPG-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785253 763325983 /nfs/dbraw/zinc/32/59/83/763325983.db2.gz DNDWKXSPJQCUPG-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785253 763325990 /nfs/dbraw/zinc/32/59/90/763325990.db2.gz DNDWKXSPJQCUPG-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788982 763332622 /nfs/dbraw/zinc/33/26/22/763332622.db2.gz KXXDGHNYZJGNHD-QGZVFWFLSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846054 763402965 /nfs/dbraw/zinc/40/29/65/763402965.db2.gz WGCNKSUYVVZFKE-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846054 763402966 /nfs/dbraw/zinc/40/29/66/763402966.db2.gz WGCNKSUYVVZFKE-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846054 763402967 /nfs/dbraw/zinc/40/29/67/763402967.db2.gz WGCNKSUYVVZFKE-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156054 763721270 /nfs/dbraw/zinc/72/12/70/763721270.db2.gz GJCOKSHZOXLMCC-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001042156054 763721272 /nfs/dbraw/zinc/72/12/72/763721272.db2.gz GJCOKSHZOXLMCC-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC001050636014 763847889 /nfs/dbraw/zinc/84/78/89/763847889.db2.gz XSIZEMJKQKXVFA-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050920559 764282558 /nfs/dbraw/zinc/28/25/58/764282558.db2.gz IIMPOUDLIOHOEY-SJORKVTESA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050920559 764282563 /nfs/dbraw/zinc/28/25/63/764282563.db2.gz IIMPOUDLIOHOEY-SJORKVTESA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131697411 768279540 /nfs/dbraw/zinc/27/95/40/768279540.db2.gz KNMTVCZJHBKQCO-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697411 768279542 /nfs/dbraw/zinc/27/95/42/768279542.db2.gz KNMTVCZJHBKQCO-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697411 768279546 /nfs/dbraw/zinc/27/95/46/768279546.db2.gz KNMTVCZJHBKQCO-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131694430 768277257 /nfs/dbraw/zinc/27/72/57/768277257.db2.gz XHZDHNORSKZXKN-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001052457929 765846623 /nfs/dbraw/zinc/84/66/23/765846623.db2.gz XAZDDQLYJJGDMC-IRXDYDNUSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC001052457929 765846628 /nfs/dbraw/zinc/84/66/28/765846628.db2.gz XAZDDQLYJJGDMC-IRXDYDNUSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001052457929 765846634 /nfs/dbraw/zinc/84/66/34/765846634.db2.gz XAZDDQLYJJGDMC-IRXDYDNUSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001052457929 765846639 /nfs/dbraw/zinc/84/66/39/765846639.db2.gz XAZDDQLYJJGDMC-IRXDYDNUSA-N 2 1 301.434 1.078 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939142 766724031 /nfs/dbraw/zinc/72/40/31/766724031.db2.gz WLFVNMRAEWRCFQ-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985617 766762631 /nfs/dbraw/zinc/76/26/31/766762631.db2.gz YHASLXSCFPVSKW-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985617 766762634 /nfs/dbraw/zinc/76/26/34/766762634.db2.gz YHASLXSCFPVSKW-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001045985617 766762636 /nfs/dbraw/zinc/76/26/36/766762636.db2.gz YHASLXSCFPVSKW-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001046416795 767536220 /nfs/dbraw/zinc/53/62/20/767536220.db2.gz CABZATWTBWYJDD-INMHGKMJSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001046416795 767536221 /nfs/dbraw/zinc/53/62/21/767536221.db2.gz CABZATWTBWYJDD-INMHGKMJSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046416795 767536225 /nfs/dbraw/zinc/53/62/25/767536225.db2.gz CABZATWTBWYJDD-INMHGKMJSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001046416795 767536229 /nfs/dbraw/zinc/53/62/29/767536229.db2.gz CABZATWTBWYJDD-INMHGKMJSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500919 767632442 /nfs/dbraw/zinc/63/24/42/767632442.db2.gz FSOXJPJEUZUHPN-AUCMRZJMSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001158029000 767666401 /nfs/dbraw/zinc/66/64/01/767666401.db2.gz AALVVUSHKPLWQL-CVEARBPZSA-N 2 1 311.445 1.612 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001047409294 768458368 /nfs/dbraw/zinc/45/83/68/768458368.db2.gz REFIRUFIBJLYLS-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047409294 768458370 /nfs/dbraw/zinc/45/83/70/768458370.db2.gz REFIRUFIBJLYLS-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001047409294 768458374 /nfs/dbraw/zinc/45/83/74/768458374.db2.gz REFIRUFIBJLYLS-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132270313 768724122 /nfs/dbraw/zinc/72/41/22/768724122.db2.gz SDNXCNXRHKUKIO-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562947 769537321 /nfs/dbraw/zinc/53/73/21/769537321.db2.gz RZIFSVQBUVNVQS-ZOFXXKQRSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562947 769537328 /nfs/dbraw/zinc/53/73/28/769537328.db2.gz RZIFSVQBUVNVQS-ZOFXXKQRSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562947 769537331 /nfs/dbraw/zinc/53/73/31/769537331.db2.gz RZIFSVQBUVNVQS-ZOFXXKQRSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1C ZINC001071515003 769543552 /nfs/dbraw/zinc/54/35/52/769543552.db2.gz QZJXUDCFUWXUHH-CABCVRRESA-N 2 1 319.453 1.213 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071739359 769981208 /nfs/dbraw/zinc/98/12/08/769981208.db2.gz RMVWPONCQBBDRB-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001048860482 770002768 /nfs/dbraw/zinc/00/27/68/770002768.db2.gz WDWNEYKYYBJIFI-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133873060 770402922 /nfs/dbraw/zinc/40/29/22/770402922.db2.gz MGLPIYPUFPPIOF-UHFFFAOYSA-N 2 1 318.259 1.333 20 30 DDEDMP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001133893970 770420585 /nfs/dbraw/zinc/42/05/85/770420585.db2.gz QEMMRHFRZLDRFH-UHFFFAOYSA-N 2 1 320.462 1.557 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049475720 770903230 /nfs/dbraw/zinc/90/32/30/770903230.db2.gz AQRKBPJARGNBLT-IXDOHACOSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478926 770908331 /nfs/dbraw/zinc/90/83/31/770908331.db2.gz VLULJXVLYMQBKY-OKZBNKHCSA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480929 770910807 /nfs/dbraw/zinc/91/08/07/770910807.db2.gz GXVWFAAJYVNGNQ-MLHJIOFPSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480929 770910814 /nfs/dbraw/zinc/91/08/14/770910814.db2.gz GXVWFAAJYVNGNQ-MLHJIOFPSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480929 770910821 /nfs/dbraw/zinc/91/08/21/770910821.db2.gz GXVWFAAJYVNGNQ-MLHJIOFPSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516806 770962859 /nfs/dbraw/zinc/96/28/59/770962859.db2.gz GFDUPGRTEOGKSR-JKSUJKDBSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049636397 771039435 /nfs/dbraw/zinc/03/94/35/771039435.db2.gz BYDMJZYOTBPECD-JKSUJKDBSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846052 771203627 /nfs/dbraw/zinc/20/36/27/771203627.db2.gz FGOQJGIQKRJKNN-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020953 771281279 /nfs/dbraw/zinc/28/12/79/771281279.db2.gz KHEJIRJKSNLWBK-LSDHHAIUSA-N 2 1 316.449 1.658 20 30 DDEDMP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021357 771282415 /nfs/dbraw/zinc/28/24/15/771282415.db2.gz NGSKARIMRPYPEZ-ZIAGYGMSSA-N 2 1 302.422 1.268 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001073613514 773215670 /nfs/dbraw/zinc/21/56/70/773215670.db2.gz JLBQDGQYRWKUFP-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073613514 773215675 /nfs/dbraw/zinc/21/56/75/773215675.db2.gz JLBQDGQYRWKUFP-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001073613514 773215682 /nfs/dbraw/zinc/21/56/82/773215682.db2.gz JLBQDGQYRWKUFP-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683156 773378639 /nfs/dbraw/zinc/37/86/39/773378639.db2.gz HMBNMWPMUKNBLN-KONPQCLYSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683156 773378646 /nfs/dbraw/zinc/37/86/46/773378646.db2.gz HMBNMWPMUKNBLN-KONPQCLYSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683156 773378655 /nfs/dbraw/zinc/37/86/55/773378655.db2.gz HMBNMWPMUKNBLN-KONPQCLYSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899016 773509558 /nfs/dbraw/zinc/50/95/58/773509558.db2.gz ISNGMPFBYUKPMF-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899016 773509563 /nfs/dbraw/zinc/50/95/63/773509563.db2.gz ISNGMPFBYUKPMF-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899016 773509566 /nfs/dbraw/zinc/50/95/66/773509566.db2.gz ISNGMPFBYUKPMF-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013776 773921066 /nfs/dbraw/zinc/92/10/66/773921066.db2.gz ZIZAPWVJAVLTBD-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013776 773921071 /nfs/dbraw/zinc/92/10/71/773921071.db2.gz ZIZAPWVJAVLTBD-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013776 773921077 /nfs/dbraw/zinc/92/10/77/773921077.db2.gz ZIZAPWVJAVLTBD-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001036735413 774429189 /nfs/dbraw/zinc/42/91/89/774429189.db2.gz JIZIUQOIQKNXJN-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001098446911 774584714 /nfs/dbraw/zinc/58/47/14/774584714.db2.gz QVRKOKBVYCADAW-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001098446911 774584716 /nfs/dbraw/zinc/58/47/16/774584716.db2.gz QVRKOKBVYCADAW-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098446911 774584721 /nfs/dbraw/zinc/58/47/21/774584721.db2.gz QVRKOKBVYCADAW-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001098446911 774584725 /nfs/dbraw/zinc/58/47/25/774584725.db2.gz QVRKOKBVYCADAW-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938111 775446983 /nfs/dbraw/zinc/44/69/83/775446983.db2.gz QVVQTYTZHVAHBM-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100023990 775587953 /nfs/dbraw/zinc/58/79/53/775587953.db2.gz CCYYTVARKXYDIQ-IAGOWNOFSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001094412658 775843075 /nfs/dbraw/zinc/84/30/75/775843075.db2.gz GUASQENCFMKDPV-YQVWRLOYSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412658 775843077 /nfs/dbraw/zinc/84/30/77/775843077.db2.gz GUASQENCFMKDPV-YQVWRLOYSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001094412658 775843080 /nfs/dbraw/zinc/84/30/80/775843080.db2.gz GUASQENCFMKDPV-YQVWRLOYSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158865 775957626 /nfs/dbraw/zinc/95/76/26/775957626.db2.gz WUUBINVNAXRLJC-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158865 775957635 /nfs/dbraw/zinc/95/76/35/775957635.db2.gz WUUBINVNAXRLJC-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036895939 776006963 /nfs/dbraw/zinc/00/69/63/776006963.db2.gz GYKSTHTYPZKXAD-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036895939 776006968 /nfs/dbraw/zinc/00/69/68/776006968.db2.gz GYKSTHTYPZKXAD-CVEARBPZSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001204075630 776493476 /nfs/dbraw/zinc/49/34/76/776493476.db2.gz BIFBMPRABAHERU-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001204075630 776493480 /nfs/dbraw/zinc/49/34/80/776493480.db2.gz BIFBMPRABAHERU-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257177 777015606 /nfs/dbraw/zinc/01/56/06/777015606.db2.gz JTBVDDMUGXLLKQ-VYDXJSESSA-N 2 1 309.429 1.080 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257848 777016596 /nfs/dbraw/zinc/01/65/96/777016596.db2.gz PDYLWGVWGCBCGE-RYRKJORJSA-N 2 1 323.456 1.470 20 30 DDEDMP C=CCOC1CCC([N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC1 ZINC001173325601 777113262 /nfs/dbraw/zinc/11/32/62/777113262.db2.gz NLCJYVKIUSZJRM-KLAILNCOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOC1CCC([N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC1 ZINC001173325601 777113264 /nfs/dbraw/zinc/11/32/64/777113264.db2.gz NLCJYVKIUSZJRM-KLAILNCOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432185 777135867 /nfs/dbraw/zinc/13/58/67/777135867.db2.gz GFNXGCBLHTZYJN-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431159 777136095 /nfs/dbraw/zinc/13/60/95/777136095.db2.gz ASIAKPYFAWMBOK-AEFFLSMTSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290432 778014815 /nfs/dbraw/zinc/01/48/15/778014815.db2.gz DSPGRRYLOWOEKR-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102475321 778159379 /nfs/dbraw/zinc/15/93/79/778159379.db2.gz IUUFMOMSVLYWJB-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176636104 778198198 /nfs/dbraw/zinc/19/81/98/778198198.db2.gz KZOYLXSMSQUVTQ-MRXNPFEDSA-N 2 1 313.486 1.773 20 30 DDEDMP CCCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176636104 778198201 /nfs/dbraw/zinc/19/82/01/778198201.db2.gz KZOYLXSMSQUVTQ-MRXNPFEDSA-N 2 1 313.486 1.773 20 30 DDEDMP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177124772 778437326 /nfs/dbraw/zinc/43/73/26/778437326.db2.gz LHLHITCMBXJSRH-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124772 778437333 /nfs/dbraw/zinc/43/73/33/778437333.db2.gz LHLHITCMBXJSRH-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124772 778437336 /nfs/dbraw/zinc/43/73/36/778437336.db2.gz LHLHITCMBXJSRH-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124772 778437340 /nfs/dbraw/zinc/43/73/40/778437340.db2.gz LHLHITCMBXJSRH-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396950 779357075 /nfs/dbraw/zinc/35/70/75/779357075.db2.gz YBOWMDDDNIWCMV-JYJNAYRXSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396950 779357081 /nfs/dbraw/zinc/35/70/81/779357081.db2.gz YBOWMDDDNIWCMV-JYJNAYRXSA-N 2 1 309.454 1.251 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179586562 779419448 /nfs/dbraw/zinc/41/94/48/779419448.db2.gz QHSAOGSWTRJXCK-DLBZAZTESA-N 2 1 323.481 1.100 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001179719537 779467968 /nfs/dbraw/zinc/46/79/68/779467968.db2.gz IXRQFFOLGAAPEF-HOCLYGCPSA-N 2 1 302.422 1.574 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCCC1 ZINC001115546399 780227408 /nfs/dbraw/zinc/22/74/08/780227408.db2.gz KKAFTMAYICFKJR-JKSUJKDBSA-N 2 1 321.465 1.444 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593819 780254806 /nfs/dbraw/zinc/25/48/06/780254806.db2.gz QQXXSQGHQCFILA-HZPDHXFCSA-N 2 1 321.465 1.138 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593819 780254813 /nfs/dbraw/zinc/25/48/13/780254813.db2.gz QQXXSQGHQCFILA-HZPDHXFCSA-N 2 1 321.465 1.138 20 30 DDEDMP C=C(C)C[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001119344804 781412945 /nfs/dbraw/zinc/41/29/45/781412945.db2.gz AJOHKZTVIXLUES-MRXNPFEDSA-N 2 1 321.440 1.994 20 30 DDEDMP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001271798841 844116583 /nfs/dbraw/zinc/11/65/83/844116583.db2.gz ZJQZJFVLAUKBGI-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266321139 836115509 /nfs/dbraw/zinc/11/55/09/836115509.db2.gz SHODVEKILQRKSJ-UHFFFAOYSA-N 2 1 313.445 1.428 20 30 DDEDMP C[N@H+](CC#Cc1ccccc1)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266321139 836115511 /nfs/dbraw/zinc/11/55/11/836115511.db2.gz SHODVEKILQRKSJ-UHFFFAOYSA-N 2 1 313.445 1.428 20 30 DDEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001282568831 836170402 /nfs/dbraw/zinc/17/04/02/836170402.db2.gz PJJJJYGWEZANRE-IAGOWNOFSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001266393496 836198521 /nfs/dbraw/zinc/19/85/21/836198521.db2.gz YCQZGBCREGKRQA-UHFFFAOYSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266459027 836289048 /nfs/dbraw/zinc/28/90/48/836289048.db2.gz IKBSRQGSWZNBOT-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266459027 836289054 /nfs/dbraw/zinc/28/90/54/836289054.db2.gz IKBSRQGSWZNBOT-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001266459027 836289061 /nfs/dbraw/zinc/28/90/61/836289061.db2.gz IKBSRQGSWZNBOT-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487123 836334226 /nfs/dbraw/zinc/33/42/26/836334226.db2.gz UHBVLNRXQYTGBN-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487123 836334240 /nfs/dbraw/zinc/33/42/40/836334240.db2.gz UHBVLNRXQYTGBN-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCCF)C1 ZINC001267104643 837353954 /nfs/dbraw/zinc/35/39/54/837353954.db2.gz SRCZNTTYZCYYHX-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCCF)C1 ZINC001267104643 837353966 /nfs/dbraw/zinc/35/39/66/837353966.db2.gz SRCZNTTYZCYYHX-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCF)C1 ZINC001267104643 837353977 /nfs/dbraw/zinc/35/39/77/837353977.db2.gz SRCZNTTYZCYYHX-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCF)C1 ZINC001267104643 837353985 /nfs/dbraw/zinc/35/39/85/837353985.db2.gz SRCZNTTYZCYYHX-CVEARBPZSA-N 2 1 309.429 1.366 20 30 DDEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267492170 838173552 /nfs/dbraw/zinc/17/35/52/838173552.db2.gz SDFZPKPXBGKOPB-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001267495981 838178913 /nfs/dbraw/zinc/17/89/13/838178913.db2.gz JKWXZSAICMHDLK-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267535724 838263824 /nfs/dbraw/zinc/26/38/24/838263824.db2.gz DSJFXHBMBVSNBY-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001267535724 838263833 /nfs/dbraw/zinc/26/38/33/838263833.db2.gz DSJFXHBMBVSNBY-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001267535724 838263845 /nfs/dbraw/zinc/26/38/45/838263845.db2.gz DSJFXHBMBVSNBY-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001267563093 838312063 /nfs/dbraw/zinc/31/20/63/838312063.db2.gz RLJIROUKPGHRIE-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267563093 838312065 /nfs/dbraw/zinc/31/20/65/838312065.db2.gz RLJIROUKPGHRIE-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267563093 838312072 /nfs/dbraw/zinc/31/20/72/838312072.db2.gz RLJIROUKPGHRIE-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267567876 838321176 /nfs/dbraw/zinc/32/11/76/838321176.db2.gz GBCGTCIKGPMZFI-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267568749 838323722 /nfs/dbraw/zinc/32/37/22/838323722.db2.gz XSZPYHSCBWQVMN-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267568749 838323728 /nfs/dbraw/zinc/32/37/28/838323728.db2.gz XSZPYHSCBWQVMN-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267605015 838425231 /nfs/dbraw/zinc/42/52/31/838425231.db2.gz JURASZUVGCOSTF-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267605015 838425239 /nfs/dbraw/zinc/42/52/39/838425239.db2.gz JURASZUVGCOSTF-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267605015 838425243 /nfs/dbraw/zinc/42/52/43/838425243.db2.gz JURASZUVGCOSTF-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267830281 839045380 /nfs/dbraw/zinc/04/53/80/839045380.db2.gz BLZCQJHIWPIAGW-IRXDYDNUSA-N 2 1 301.434 1.797 20 30 DDEDMP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268054994 839615628 /nfs/dbraw/zinc/61/56/28/839615628.db2.gz RSPMBJBDCOFJLQ-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C)C1CCCCC1 ZINC001268118194 839710514 /nfs/dbraw/zinc/71/05/14/839710514.db2.gz IMFSSYXDZGMWME-ROUUACIJSA-N 2 1 317.477 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC=C)C1CCCCC1 ZINC001268118194 839710521 /nfs/dbraw/zinc/71/05/21/839710521.db2.gz IMFSSYXDZGMWME-ROUUACIJSA-N 2 1 317.477 1.925 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001268152395 839761740 /nfs/dbraw/zinc/76/17/40/839761740.db2.gz AWEBFORNAGJBNI-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cncc2C1 ZINC001268735018 840735364 /nfs/dbraw/zinc/73/53/64/840735364.db2.gz CONFEAGDBKICNN-LSDHHAIUSA-N 2 1 304.438 1.848 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001269718827 841970788 /nfs/dbraw/zinc/97/07/88/841970788.db2.gz DSBIHNNDERRSFJ-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001269741194 841993156 /nfs/dbraw/zinc/99/31/56/841993156.db2.gz LJPIBPIUJNRJHT-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001269741194 841993164 /nfs/dbraw/zinc/99/31/64/841993164.db2.gz LJPIBPIUJNRJHT-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001269741194 841993168 /nfs/dbraw/zinc/99/31/68/841993168.db2.gz LJPIBPIUJNRJHT-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001270158632 842341588 /nfs/dbraw/zinc/34/15/88/842341588.db2.gz VYASGWPIYRURLM-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001270158632 842341603 /nfs/dbraw/zinc/34/16/03/842341603.db2.gz VYASGWPIYRURLM-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001326508215 861414033 /nfs/dbraw/zinc/41/40/33/861414033.db2.gz PDQYDFXDVHGPTG-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001326508215 861414039 /nfs/dbraw/zinc/41/40/39/861414039.db2.gz PDQYDFXDVHGPTG-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC(C)C)CC1 ZINC001272178049 844679965 /nfs/dbraw/zinc/67/99/65/844679965.db2.gz ABWKGZGBPCVGGA-UHFFFAOYSA-N 2 1 307.482 1.768 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cccc(C#N)c1 ZINC001409678599 845556976 /nfs/dbraw/zinc/55/69/76/845556976.db2.gz DEAJUGJIBNDVAQ-HNNXBMFYSA-N 2 1 316.449 1.835 20 30 DDEDMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001409678599 845556983 /nfs/dbraw/zinc/55/69/83/845556983.db2.gz DEAJUGJIBNDVAQ-HNNXBMFYSA-N 2 1 316.449 1.835 20 30 DDEDMP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001409678599 845556988 /nfs/dbraw/zinc/55/69/88/845556988.db2.gz DEAJUGJIBNDVAQ-HNNXBMFYSA-N 2 1 316.449 1.835 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000996934354 846887090 /nfs/dbraw/zinc/88/70/90/846887090.db2.gz LEDCFHKBTIRQMA-AWEZNQCLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997001498 847104535 /nfs/dbraw/zinc/10/45/35/847104535.db2.gz USXDGHQIQWJEIK-CQSZACIVSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816954 847200983 /nfs/dbraw/zinc/20/09/83/847200983.db2.gz KRPIKLWEOBCFEJ-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816954 847200987 /nfs/dbraw/zinc/20/09/87/847200987.db2.gz KRPIKLWEOBCFEJ-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816954 847200995 /nfs/dbraw/zinc/20/09/95/847200995.db2.gz KRPIKLWEOBCFEJ-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394167 848455201 /nfs/dbraw/zinc/45/52/01/848455201.db2.gz JTXCCPGAHPZVRS-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394167 848455204 /nfs/dbraw/zinc/45/52/04/848455204.db2.gz JTXCCPGAHPZVRS-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCN1CCC2(CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144457 848565557 /nfs/dbraw/zinc/56/55/57/848565557.db2.gz QCWMFGABXMDCIS-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001327171204 861940723 /nfs/dbraw/zinc/94/07/23/861940723.db2.gz CJZDNCVNTUEIPE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001327171204 861940726 /nfs/dbraw/zinc/94/07/26/861940726.db2.gz CJZDNCVNTUEIPE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001327171204 861940735 /nfs/dbraw/zinc/94/07/35/861940735.db2.gz CJZDNCVNTUEIPE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001327171204 861940738 /nfs/dbraw/zinc/94/07/38/861940738.db2.gz CJZDNCVNTUEIPE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855148 861944742 /nfs/dbraw/zinc/94/47/42/861944742.db2.gz WATMNECSZGDALN-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855148 861944754 /nfs/dbraw/zinc/94/47/54/861944754.db2.gz WATMNECSZGDALN-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855148 861944765 /nfs/dbraw/zinc/94/47/65/861944765.db2.gz WATMNECSZGDALN-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCCC)CC1 ZINC001327291634 862035441 /nfs/dbraw/zinc/03/54/41/862035441.db2.gz RPKUBKCBQZRKIT-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001327349946 862089992 /nfs/dbraw/zinc/08/99/92/862089992.db2.gz MQLVWZUMIKVKEA-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001328035214 862650017 /nfs/dbraw/zinc/65/00/17/862650017.db2.gz OPDAHCGDATWSBK-UHFFFAOYSA-N 2 1 302.422 1.576 20 30 DDEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001328170970 862745187 /nfs/dbraw/zinc/74/51/87/862745187.db2.gz KKWJDSOHUXKRDK-MRXNPFEDSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001049563561 856980966 /nfs/dbraw/zinc/98/09/66/856980966.db2.gz DCIJIOGGXAZYDM-QZTJIDSGSA-N 2 1 322.412 1.955 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001072981838 857965541 /nfs/dbraw/zinc/96/55/41/857965541.db2.gz SYXHNTXRMFUKAP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001072981838 857965548 /nfs/dbraw/zinc/96/55/48/857965548.db2.gz SYXHNTXRMFUKAP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001072981838 857965554 /nfs/dbraw/zinc/96/55/54/857965554.db2.gz SYXHNTXRMFUKAP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073454747 858351325 /nfs/dbraw/zinc/35/13/25/858351325.db2.gz QQFOQULHJYITCR-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457561 858353455 /nfs/dbraw/zinc/35/34/55/858353455.db2.gz WDDIESNCBHZIAV-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872408 860215439 /nfs/dbraw/zinc/21/54/39/860215439.db2.gz DZQBRINYUCNPAX-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202946912 860430646 /nfs/dbraw/zinc/43/06/46/860430646.db2.gz DIUDUSXSJCKGIE-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203044256 860650007 /nfs/dbraw/zinc/65/00/07/860650007.db2.gz ISTMNXZXZVVJJI-CVEARBPZSA-N 2 1 303.450 1.511 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001154455123 861117928 /nfs/dbraw/zinc/11/79/28/861117928.db2.gz GKEHISZZBCJURD-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329623260 863756070 /nfs/dbraw/zinc/75/60/70/863756070.db2.gz IVZIHURJCRFKCS-SJORKVTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC[C@H](C)O ZINC001153864167 864177078 /nfs/dbraw/zinc/17/70/78/864177078.db2.gz FMIJZDZCTQDPCA-IKGGRYGDSA-N 2 1 323.481 1.072 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC[C@H](C)O ZINC001153864167 864177084 /nfs/dbraw/zinc/17/70/84/864177084.db2.gz FMIJZDZCTQDPCA-IKGGRYGDSA-N 2 1 323.481 1.072 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC[C@H](C)O ZINC001153864167 864177092 /nfs/dbraw/zinc/17/70/92/864177092.db2.gz FMIJZDZCTQDPCA-IKGGRYGDSA-N 2 1 323.481 1.072 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC[C@H](C)O ZINC001153864167 864177100 /nfs/dbraw/zinc/17/71/00/864177100.db2.gz FMIJZDZCTQDPCA-IKGGRYGDSA-N 2 1 323.481 1.072 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001157965164 864312783 /nfs/dbraw/zinc/31/27/83/864312783.db2.gz QMTUJAGKOTYTAZ-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001330472063 864381568 /nfs/dbraw/zinc/38/15/68/864381568.db2.gz YDPTWUMFZISCAE-OKZBNKHCSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001330529976 864432970 /nfs/dbraw/zinc/43/29/70/864432970.db2.gz XUAAOTURBOLBTA-YTQUADARSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C[C@H]1CCOC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001331158247 864909543 /nfs/dbraw/zinc/90/95/43/864909543.db2.gz NEUKGWCANVJLJU-IAGOWNOFSA-N 2 1 306.450 1.459 20 30 DDEDMP Cc1ccc(CC#N)c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])[nH+]1 ZINC001159242671 865182820 /nfs/dbraw/zinc/18/28/20/865182820.db2.gz IINVXERDTMWWMN-IIAWOOMASA-N 2 1 304.394 1.593 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332030137 865515627 /nfs/dbraw/zinc/51/56/27/865515627.db2.gz HCDYQFBDXUFHJO-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001160197600 865722185 /nfs/dbraw/zinc/72/21/85/865722185.db2.gz AHIIZZXLFUJBBF-KRWDZBQOSA-N 2 1 303.450 1.680 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC1=CCCCC1 ZINC001160197600 865722192 /nfs/dbraw/zinc/72/21/92/865722192.db2.gz AHIIZZXLFUJBBF-KRWDZBQOSA-N 2 1 303.450 1.680 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(C)cs1 ZINC001160197938 865723079 /nfs/dbraw/zinc/72/30/79/865723079.db2.gz OVEIUHVANWYSFJ-AWEZNQCLSA-N 2 1 320.462 1.145 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(C)cs1 ZINC001160197938 865723085 /nfs/dbraw/zinc/72/30/85/865723085.db2.gz OVEIUHVANWYSFJ-AWEZNQCLSA-N 2 1 320.462 1.145 20 30 DDEDMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001161049300 866320825 /nfs/dbraw/zinc/32/08/25/866320825.db2.gz FNODDRBOGCGSHS-SJORKVTESA-N 2 1 314.433 1.369 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161207291 866441791 /nfs/dbraw/zinc/44/17/91/866441791.db2.gz RWBJEJPOKMTKKI-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207291 866441799 /nfs/dbraw/zinc/44/17/99/866441799.db2.gz RWBJEJPOKMTKKI-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161207291 866441806 /nfs/dbraw/zinc/44/18/06/866441806.db2.gz RWBJEJPOKMTKKI-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC001333420498 866729462 /nfs/dbraw/zinc/72/94/62/866729462.db2.gz VRQAPHWLBYTIEF-UHFFFAOYSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C1CCCC1 ZINC001324504747 867316809 /nfs/dbraw/zinc/31/68/09/867316809.db2.gz FAOAMHYELKFTKW-QGZVFWFLSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC001336782077 869137733 /nfs/dbraw/zinc/13/77/33/869137733.db2.gz XAAUHKQXLZQSRP-MOPGFXCFSA-N 2 1 316.445 1.548 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485585 869616116 /nfs/dbraw/zinc/61/61/16/869616116.db2.gz ZOMAQDDKWNRVKF-AWEZNQCLSA-N 2 1 302.422 1.823 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001316992988 870089230 /nfs/dbraw/zinc/08/92/30/870089230.db2.gz WLTCKBPJALULLF-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001316992988 870089246 /nfs/dbraw/zinc/08/92/46/870089246.db2.gz WLTCKBPJALULLF-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316992988 870089256 /nfs/dbraw/zinc/08/92/56/870089256.db2.gz WLTCKBPJALULLF-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001316992988 870089269 /nfs/dbraw/zinc/08/92/69/870089269.db2.gz WLTCKBPJALULLF-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001317014935 870121229 /nfs/dbraw/zinc/12/12/29/870121229.db2.gz DRYVAQBEYCAJLC-MSOLQXFVSA-N 2 1 317.477 1.901 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203793724 870762285 /nfs/dbraw/zinc/76/22/85/870762285.db2.gz SVYOUDJWIUNXEX-JKSUJKDBSA-N 2 1 323.481 1.546 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317512752 870961194 /nfs/dbraw/zinc/96/11/94/870961194.db2.gz CWQUKTRZYIZFKL-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317512752 870961211 /nfs/dbraw/zinc/96/12/11/870961211.db2.gz CWQUKTRZYIZFKL-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N(C)CC[NH2+]CC#Cc1ccccc1 ZINC001317652087 871320474 /nfs/dbraw/zinc/32/04/74/871320474.db2.gz FDSUGGTUTHDNPR-UHFFFAOYSA-N 2 1 315.461 1.818 20 30 DDEDMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001317800788 871524046 /nfs/dbraw/zinc/52/40/46/871524046.db2.gz KNJBZHHZIYQJGZ-QAPCUYQASA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317800788 871524060 /nfs/dbraw/zinc/52/40/60/871524060.db2.gz KNJBZHHZIYQJGZ-QAPCUYQASA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001317800788 871524077 /nfs/dbraw/zinc/52/40/77/871524077.db2.gz KNJBZHHZIYQJGZ-QAPCUYQASA-N 2 1 323.456 1.660 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001205483817 871578568 /nfs/dbraw/zinc/57/85/68/871578568.db2.gz SMSQPARFVLXMIQ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001341382872 871631875 /nfs/dbraw/zinc/63/18/75/871631875.db2.gz KLCPQMBFGVUAOW-DLBZAZTESA-N 2 1 322.497 1.297 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001341382872 871631889 /nfs/dbraw/zinc/63/18/89/871631889.db2.gz KLCPQMBFGVUAOW-DLBZAZTESA-N 2 1 322.497 1.297 20 30 DDEDMP C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001341681410 871772599 /nfs/dbraw/zinc/77/25/99/871772599.db2.gz TVDYKDKUGJAKBY-IYBDPMFKSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001316757900 871998339 /nfs/dbraw/zinc/99/83/39/871998339.db2.gz YVPADJGUHZCKPY-IKGGRYGDSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001318493098 872113664 /nfs/dbraw/zinc/11/36/64/872113664.db2.gz WNYJOLKBRDTJLZ-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001318493098 872113672 /nfs/dbraw/zinc/11/36/72/872113672.db2.gz WNYJOLKBRDTJLZ-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001318493098 872113682 /nfs/dbraw/zinc/11/36/82/872113682.db2.gz WNYJOLKBRDTJLZ-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316858087 872174910 /nfs/dbraw/zinc/17/49/10/872174910.db2.gz BHBRARIXPPICIB-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206282565 872183594 /nfs/dbraw/zinc/18/35/94/872183594.db2.gz VNGCWCPSUSUOBZ-INIZCTEOSA-N 2 1 314.433 1.215 20 30 DDEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001319248697 872519348 /nfs/dbraw/zinc/51/93/48/872519348.db2.gz AWHNIAQMKKOGDS-DLBZAZTESA-N 2 1 323.481 1.241 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006810 872922611 /nfs/dbraw/zinc/92/26/11/872922611.db2.gz AYMWAWWRIXJBBV-BZUAXINKSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207006810 872922615 /nfs/dbraw/zinc/92/26/15/872922615.db2.gz AYMWAWWRIXJBBV-BZUAXINKSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208331398 874021729 /nfs/dbraw/zinc/02/17/29/874021729.db2.gz ROWHDTQCFSFZHP-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCC)C1 ZINC001208356455 874051278 /nfs/dbraw/zinc/05/12/78/874051278.db2.gz RGHRRQFABNNVLZ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCCCC)C1 ZINC001208356455 874051292 /nfs/dbraw/zinc/05/12/92/874051292.db2.gz RGHRRQFABNNVLZ-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576217 874281231 /nfs/dbraw/zinc/28/12/31/874281231.db2.gz DYJDEQBUHNUPIN-HNNXBMFYSA-N 2 1 314.433 1.366 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001276615282 874665461 /nfs/dbraw/zinc/66/54/61/874665461.db2.gz APYPNSKCMWHEJT-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001276615282 874665468 /nfs/dbraw/zinc/66/54/68/874665468.db2.gz APYPNSKCMWHEJT-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001209337501 874820970 /nfs/dbraw/zinc/82/09/70/874820970.db2.gz UAWOFRGTZHDADF-SQWLQELKSA-N 2 1 304.438 1.991 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001209337501 874820982 /nfs/dbraw/zinc/82/09/82/874820982.db2.gz UAWOFRGTZHDADF-SQWLQELKSA-N 2 1 304.438 1.991 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001276679098 875239728 /nfs/dbraw/zinc/23/97/28/875239728.db2.gz TYLIUFWHFBLJHW-VQHPVUNQSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001276679098 875239741 /nfs/dbraw/zinc/23/97/41/875239741.db2.gz TYLIUFWHFBLJHW-VQHPVUNQSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001276679098 875239751 /nfs/dbraw/zinc/23/97/51/875239751.db2.gz TYLIUFWHFBLJHW-VQHPVUNQSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001211256719 875730870 /nfs/dbraw/zinc/73/08/70/875730870.db2.gz MBWSVJFHACJDQC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368495 875912603 /nfs/dbraw/zinc/91/26/03/875912603.db2.gz CWHDJNGOXIFTQJ-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213934566 876108864 /nfs/dbraw/zinc/10/88/64/876108864.db2.gz XQHHZDOZNBBCPH-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001276712644 876392934 /nfs/dbraw/zinc/39/29/34/876392934.db2.gz YUGXAZJBMYGPTI-ROUUACIJSA-N 2 1 313.445 1.797 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001214998005 876534525 /nfs/dbraw/zinc/53/45/25/876534525.db2.gz PVRQNWNCPGWSEQ-HUUCEWRRSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036368 876547412 /nfs/dbraw/zinc/54/74/12/876547412.db2.gz YQXXAWLOWXIDKS-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001215228401 876616526 /nfs/dbraw/zinc/61/65/26/876616526.db2.gz OGMCSGPOEMLZNT-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1C ZINC001216584678 876987568 /nfs/dbraw/zinc/98/75/68/876987568.db2.gz CTGFNCWZPWTMPB-NUJGCVRESA-N 2 1 321.465 1.111 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cccc(C#N)c2)CC1 ZINC001380158948 878928856 /nfs/dbraw/zinc/92/88/56/878928856.db2.gz FDGHYMRQEPBHDB-UHFFFAOYSA-N 2 1 314.433 1.638 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771398 879241143 /nfs/dbraw/zinc/24/11/43/879241143.db2.gz RKKNERVHYQYXCN-CVEARBPZSA-N 2 1 323.481 1.214 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001221010197 879440392 /nfs/dbraw/zinc/44/03/92/879440392.db2.gz BFVGCDDAIUAXMN-LPHOPBHVSA-N 2 1 313.445 1.754 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001276829662 880427054 /nfs/dbraw/zinc/42/70/54/880427054.db2.gz JIKPLNMXHVDMSK-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001228189941 883378023 /nfs/dbraw/zinc/37/80/23/883378023.db2.gz PMJQYMJGNHWDJJ-MWDXBVQZSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001228826862 883689686 /nfs/dbraw/zinc/68/96/86/883689686.db2.gz NUWTVXWWKZTJSS-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001228826862 883689694 /nfs/dbraw/zinc/68/96/94/883689694.db2.gz NUWTVXWWKZTJSS-QGZVFWFLSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001277603298 886041549 /nfs/dbraw/zinc/04/15/49/886041549.db2.gz BGGVEBWDYWMHLY-SJORKVTESA-N 2 1 321.465 1.139 20 30 DDEDMP Cc1ccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(C#N)c1 ZINC001232967468 886699264 /nfs/dbraw/zinc/69/92/64/886699264.db2.gz NCZCEDODXDJOHM-UHFFFAOYSA-N 2 1 314.433 1.463 20 30 DDEDMP Cc1ccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(C#N)c1 ZINC001232967468 886699268 /nfs/dbraw/zinc/69/92/68/886699268.db2.gz NCZCEDODXDJOHM-UHFFFAOYSA-N 2 1 314.433 1.463 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001277785790 887041088 /nfs/dbraw/zinc/04/10/88/887041088.db2.gz OKTCHTRHVPYWJA-HOCLYGCPSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234215722 887751898 /nfs/dbraw/zinc/75/18/98/887751898.db2.gz OZGYTQMXPQTOAJ-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234215722 887751910 /nfs/dbraw/zinc/75/19/10/887751910.db2.gz OZGYTQMXPQTOAJ-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234215722 887751924 /nfs/dbraw/zinc/75/19/24/887751924.db2.gz OZGYTQMXPQTOAJ-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234215722 887751938 /nfs/dbraw/zinc/75/19/38/887751938.db2.gz OZGYTQMXPQTOAJ-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001277938252 888572219 /nfs/dbraw/zinc/57/22/19/888572219.db2.gz QRRRSRXPBBVMEA-MRXNPFEDSA-N 2 1 301.434 1.231 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354264 888584822 /nfs/dbraw/zinc/58/48/22/888584822.db2.gz LBCVRUAKYGQTSP-HOTGVXAUSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235354264 888584835 /nfs/dbraw/zinc/58/48/35/888584835.db2.gz LBCVRUAKYGQTSP-HOTGVXAUSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235522912 888708021 /nfs/dbraw/zinc/70/80/21/888708021.db2.gz QXXQTSCMAQUJBM-LZLYRXPVSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@]12CCCO[C@@H]1CCN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522912 888708029 /nfs/dbraw/zinc/70/80/29/888708029.db2.gz QXXQTSCMAQUJBM-LZLYRXPVSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522912 888708042 /nfs/dbraw/zinc/70/80/42/888708042.db2.gz QXXQTSCMAQUJBM-LZLYRXPVSA-N 2 1 324.465 1.785 20 30 DDEDMP C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001235522912 888708049 /nfs/dbraw/zinc/70/80/49/888708049.db2.gz QXXQTSCMAQUJBM-LZLYRXPVSA-N 2 1 324.465 1.785 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1cccc(C#N)c1 ZINC001364685644 889194808 /nfs/dbraw/zinc/19/48/08/889194808.db2.gz QWYJNRAPVRTBJW-SFHVURJKSA-N 2 1 316.449 1.161 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)CC2)cc1 ZINC001246870958 892960071 /nfs/dbraw/zinc/96/00/71/892960071.db2.gz QBIFFLOHDMKQMJ-YJBOKZPZSA-N 2 1 310.401 1.196 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3C[C@@H]4C[C@]4([NH3+])C3)CC2)cc1 ZINC001246870958 892960084 /nfs/dbraw/zinc/96/00/84/892960084.db2.gz QBIFFLOHDMKQMJ-YJBOKZPZSA-N 2 1 310.401 1.196 20 30 DDEDMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001366505603 893770591 /nfs/dbraw/zinc/77/05/91/893770591.db2.gz GGPBTOZTBUGXRL-RHSMWYFYSA-N 2 1 314.433 1.494 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001278661638 895088491 /nfs/dbraw/zinc/08/84/91/895088491.db2.gz KAGDXMQQYSSELP-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001252595135 895298739 /nfs/dbraw/zinc/29/87/39/895298739.db2.gz DZFQTPNUGKGPQJ-FHWLQOOXSA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252595135 895298745 /nfs/dbraw/zinc/29/87/45/895298745.db2.gz DZFQTPNUGKGPQJ-FHWLQOOXSA-N 2 1 322.493 1.994 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001252595135 895298752 /nfs/dbraw/zinc/29/87/52/895298752.db2.gz DZFQTPNUGKGPQJ-FHWLQOOXSA-N 2 1 322.493 1.994 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001253582979 895916659 /nfs/dbraw/zinc/91/66/59/895916659.db2.gz WRMVBJWAQVOCDX-KRWDZBQOSA-N 2 1 301.434 1.916 20 30 DDEDMP C=C(Br)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001368020952 898500612 /nfs/dbraw/zinc/50/06/12/898500612.db2.gz SYMIVHJYMUUMHF-NSHDSACASA-N 2 1 318.259 1.474 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001369442031 901303575 /nfs/dbraw/zinc/30/35/75/901303575.db2.gz KJIKDPXPJWFTPY-UONOGXRCSA-N 2 1 301.862 1.955 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001264723500 901310653 /nfs/dbraw/zinc/31/06/53/901310653.db2.gz JXLJWZSQQAAOSF-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001264723500 901310661 /nfs/dbraw/zinc/31/06/61/901310661.db2.gz JXLJWZSQQAAOSF-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001265386428 901949996 /nfs/dbraw/zinc/94/99/96/901949996.db2.gz GCCVKDTXCNSPCJ-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265386428 901950003 /nfs/dbraw/zinc/95/00/03/901950003.db2.gz GCCVKDTXCNSPCJ-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265386428 901950009 /nfs/dbraw/zinc/95/00/09/901950009.db2.gz GCCVKDTXCNSPCJ-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391960619 902990476 /nfs/dbraw/zinc/99/04/76/902990476.db2.gz LDSXQDWONAPGIV-WMLDXEAASA-N 2 1 314.433 1.352 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281677345 905153567 /nfs/dbraw/zinc/15/35/67/905153567.db2.gz UZVKOUAPJPTJSC-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281677345 905153579 /nfs/dbraw/zinc/15/35/79/905153579.db2.gz UZVKOUAPJPTJSC-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001281748211 905196827 /nfs/dbraw/zinc/19/68/27/905196827.db2.gz SPDJMTZAJBFWCO-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001282782116 906031292 /nfs/dbraw/zinc/03/12/92/906031292.db2.gz PNTLLSAOOBSGSP-KRWDZBQOSA-N 2 1 309.454 1.208 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001372106730 906473153 /nfs/dbraw/zinc/47/31/53/906473153.db2.gz CYOIEVGALHOEKE-INIZCTEOSA-N 2 1 302.422 1.446 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001284228596 908691448 /nfs/dbraw/zinc/69/14/48/908691448.db2.gz VXFUFIZWLXLETI-IAGOWNOFSA-N 2 1 316.449 1.870 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001284334393 908844454 /nfs/dbraw/zinc/84/44/54/908844454.db2.gz CTZYDNXQTUKPPZ-CVEARBPZSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001284870028 909604634 /nfs/dbraw/zinc/60/46/34/909604634.db2.gz LPJQAWYGTTVUIR-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001394551553 909973797 /nfs/dbraw/zinc/97/37/97/909973797.db2.gz GPPJECQTNXQODG-WMLDXEAASA-N 2 1 314.433 1.446 20 30 DDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000595315178 356446723 /nfs/dbraw/zinc/44/67/23/356446723.db2.gz XZGCTUTVYWAYSU-IBGZPJMESA-N 2 1 312.461 1.813 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)cc1 ZINC000596449329 356883067 /nfs/dbraw/zinc/88/30/67/356883067.db2.gz FBRHZNPYCQCBST-AWEZNQCLSA-N 2 1 317.437 1.952 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C#N)cc1 ZINC000596449329 356883070 /nfs/dbraw/zinc/88/30/70/356883070.db2.gz FBRHZNPYCQCBST-AWEZNQCLSA-N 2 1 317.437 1.952 20 30 DDEDMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600726418 358298107 /nfs/dbraw/zinc/29/81/07/358298107.db2.gz LFGAWQFZCFJJPB-MRXNPFEDSA-N 2 1 308.470 1.048 20 30 DDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602538750 359034181 /nfs/dbraw/zinc/03/41/81/359034181.db2.gz HVYLEOFQYPJVRI-UHFFFAOYSA-N 2 1 306.454 1.601 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000602878095 359261325 /nfs/dbraw/zinc/26/13/25/359261325.db2.gz USQZRCLWUQIBDL-UHFFFAOYSA-N 2 1 312.417 1.914 20 30 DDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330017484 223063552 /nfs/dbraw/zinc/06/35/52/223063552.db2.gz REKMADHNKHPBDY-ZDUSSCGKSA-N 2 1 316.409 1.621 20 30 DDEDMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000330017484 223063555 /nfs/dbraw/zinc/06/35/55/223063555.db2.gz REKMADHNKHPBDY-ZDUSSCGKSA-N 2 1 316.409 1.621 20 30 DDEDMP N#CCCn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccncc2)n1 ZINC000619071009 363883565 /nfs/dbraw/zinc/88/35/65/363883565.db2.gz OQCWHOPDANLBPV-HZPDHXFCSA-N 2 1 322.416 1.510 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000078545223 407032926 /nfs/dbraw/zinc/03/29/26/407032926.db2.gz RYYXBDWLOWGXMT-HNNXBMFYSA-N 2 1 320.437 1.832 20 30 DDEDMP CCc1cnc(CNC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)=[NH+]C)s1 ZINC000131008965 407719220 /nfs/dbraw/zinc/71/92/20/407719220.db2.gz VJSCWNQJPIZWJM-NWDGAFQWSA-N 2 1 321.494 1.996 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000171811624 407773172 /nfs/dbraw/zinc/77/31/72/407773172.db2.gz VRZFRFWYWAURTE-UHFFFAOYSA-N 2 1 309.454 1.256 20 30 DDEDMP C[C@H]1C[C@H](N(C)CC(=O)NCC#N)CC[N@H+]1Cc1ccccc1 ZINC000157010512 408286616 /nfs/dbraw/zinc/28/66/16/408286616.db2.gz STOQBIASXSOMTA-DOTOQJQBSA-N 2 1 314.433 1.611 20 30 DDEDMP C[N@@H+]1C[C@H]2CN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]2C1 ZINC000193652787 408737052 /nfs/dbraw/zinc/73/70/52/408737052.db2.gz KZDAVUIQTSVTNY-JZXOWHBKSA-N 2 1 324.428 1.547 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193652787 408737056 /nfs/dbraw/zinc/73/70/56/408737056.db2.gz KZDAVUIQTSVTNY-JZXOWHBKSA-N 2 1 324.428 1.547 20 30 DDEDMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193652787 408737057 /nfs/dbraw/zinc/73/70/57/408737057.db2.gz KZDAVUIQTSVTNY-JZXOWHBKSA-N 2 1 324.428 1.547 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000193652787 408737060 /nfs/dbraw/zinc/73/70/60/408737060.db2.gz KZDAVUIQTSVTNY-JZXOWHBKSA-N 2 1 324.428 1.547 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N(C)CCC#N ZINC000277054714 408905199 /nfs/dbraw/zinc/90/51/99/408905199.db2.gz CRUNFVPMQNTPLX-UHFFFAOYSA-N 2 1 319.453 1.920 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000277054714 408905203 /nfs/dbraw/zinc/90/52/03/408905203.db2.gz CRUNFVPMQNTPLX-UHFFFAOYSA-N 2 1 319.453 1.920 20 30 DDEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292046255 408969194 /nfs/dbraw/zinc/96/91/94/408969194.db2.gz AWLVVRRRBGQABQ-JKSUJKDBSA-N 2 1 300.406 1.891 20 30 DDEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292046255 408969198 /nfs/dbraw/zinc/96/91/98/408969198.db2.gz AWLVVRRRBGQABQ-JKSUJKDBSA-N 2 1 300.406 1.891 20 30 DDEDMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292046255 408969201 /nfs/dbraw/zinc/96/92/01/408969201.db2.gz AWLVVRRRBGQABQ-JKSUJKDBSA-N 2 1 300.406 1.891 20 30 DDEDMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292046255 408969204 /nfs/dbraw/zinc/96/92/04/408969204.db2.gz AWLVVRRRBGQABQ-JKSUJKDBSA-N 2 1 300.406 1.891 20 30 DDEDMP C[C@@H]1Oc2ccccc2[C@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000288641199 409171998 /nfs/dbraw/zinc/17/19/98/409171998.db2.gz CSDYZJKEZGQZJU-BBRMVZONSA-N 2 1 318.421 1.135 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000297534720 409930871 /nfs/dbraw/zinc/93/08/71/409930871.db2.gz DQILPHSGNJKNPC-CQSZACIVSA-N 2 1 305.426 1.082 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000297534720 409930876 /nfs/dbraw/zinc/93/08/76/409930876.db2.gz DQILPHSGNJKNPC-CQSZACIVSA-N 2 1 305.426 1.082 20 30 DDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)NC1CC1 ZINC000190528410 222082607 /nfs/dbraw/zinc/08/26/07/222082607.db2.gz SCTRFKKSTDWDLZ-QGZVFWFLSA-N 2 1 316.449 1.605 20 30 DDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@@]2(CCOC2)C1 ZINC000261981434 222266209 /nfs/dbraw/zinc/26/62/09/222266209.db2.gz OYOXPUSCZRWVQA-MRXNPFEDSA-N 2 1 305.426 1.269 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000261599747 222251841 /nfs/dbraw/zinc/25/18/41/222251841.db2.gz AXAXECOTJVXJLL-FPCVCCKLSA-N 2 1 320.481 1.723 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261660615 222254182 /nfs/dbraw/zinc/25/41/82/222254182.db2.gz NVLGUERNJIWCIP-LXTVHRRPSA-N 2 1 306.454 1.333 20 30 DDEDMP CC(C)CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000264125611 222322434 /nfs/dbraw/zinc/32/24/34/222322434.db2.gz SDPKKDQOJYLMPL-UHFFFAOYSA-N 2 1 318.465 1.969 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC#N)cc1 ZINC000264299457 222329911 /nfs/dbraw/zinc/32/99/11/222329911.db2.gz RNXGLHKCUQHQKT-OAHLLOKOSA-N 2 1 315.421 1.478 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000262440948 222281011 /nfs/dbraw/zinc/28/10/11/222281011.db2.gz ASQURGNBNWKFHB-NSHDSACASA-N 2 1 315.377 1.642 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCOc2ccccc21 ZINC000262521639 222284321 /nfs/dbraw/zinc/28/43/21/222284321.db2.gz IOWQWAUDCDFUSD-HUUCEWRRSA-N 2 1 316.449 1.941 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000377955211 418717376 /nfs/dbraw/zinc/71/73/76/418717376.db2.gz LMUUVJTVGFXLMJ-HNNXBMFYSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000377955214 418717508 /nfs/dbraw/zinc/71/75/08/418717508.db2.gz LMUUVJTVGFXLMJ-OAHLLOKOSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000361667051 418697887 /nfs/dbraw/zinc/69/78/87/418697887.db2.gz LFEFTHBTIVBMEP-HUUCEWRRSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361667051 418697890 /nfs/dbraw/zinc/69/78/90/418697890.db2.gz LFEFTHBTIVBMEP-HUUCEWRRSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000361667050 418698179 /nfs/dbraw/zinc/69/81/79/418698179.db2.gz LFEFTHBTIVBMEP-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361667050 418698180 /nfs/dbraw/zinc/69/81/80/418698180.db2.gz LFEFTHBTIVBMEP-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000364251647 418774291 /nfs/dbraw/zinc/77/42/91/418774291.db2.gz LBGZLFRMOUHWQS-HIFRSBDPSA-N 2 1 304.442 1.493 20 30 DDEDMP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1)N(C)C ZINC000364249670 418774381 /nfs/dbraw/zinc/77/43/81/418774381.db2.gz HJUZHLSXXZYWRG-ZFWWWQNUSA-N 2 1 306.458 1.282 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000365180242 418842076 /nfs/dbraw/zinc/84/20/76/418842076.db2.gz DHSJVMTYDIQNEB-DLBZAZTESA-N 2 1 320.481 1.953 20 30 DDEDMP C[NH2+]C[C@@H](C)CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000423279131 420001470 /nfs/dbraw/zinc/00/14/70/420001470.db2.gz SEEVNFVZFFKSOL-OAHLLOKOSA-N 2 1 300.450 1.968 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000490593495 421192518 /nfs/dbraw/zinc/19/25/18/421192518.db2.gz AAMBWZFKTXEUKA-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)C(C)(C)C2)CC1(C)C ZINC000569115696 421625008 /nfs/dbraw/zinc/62/50/08/421625008.db2.gz TUOZLONWDQPUKP-UHFFFAOYSA-N 2 1 306.498 1.042 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H](C)COC)CC1 ZINC000577947507 422463116 /nfs/dbraw/zinc/46/31/16/422463116.db2.gz JCSHKGNHLIJMAP-GDBMZVCRSA-N 2 1 300.443 1.029 20 30 DDEDMP C=C(C)[C@@H](CO)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000649304036 423736558 /nfs/dbraw/zinc/73/65/58/423736558.db2.gz BVFSNGLTZDJIPN-QGZVFWFLSA-N 2 1 323.481 1.190 20 30 DDEDMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CCOCC1 ZINC000373223783 282044398 /nfs/dbraw/zinc/04/43/98/282044398.db2.gz LEUWCCGRHMIYRK-NXOAAHMSSA-N 2 1 321.465 1.927 20 30 DDEDMP OCC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CCO)C2)C1 ZINC000671240750 484977630 /nfs/dbraw/zinc/97/76/30/484977630.db2.gz QDSXHGXZAIQQCB-QZTJIDSGSA-N 2 1 308.466 1.179 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000491496479 526945786 /nfs/dbraw/zinc/94/57/86/526945786.db2.gz QPDBIZXIPDEDCW-YOEHRIQHSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000491496479 526945791 /nfs/dbraw/zinc/94/57/91/526945791.db2.gz QPDBIZXIPDEDCW-YOEHRIQHSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491496479 526945795 /nfs/dbraw/zinc/94/57/95/526945795.db2.gz QPDBIZXIPDEDCW-YOEHRIQHSA-N 2 1 310.413 1.840 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000491496479 526945805 /nfs/dbraw/zinc/94/58/05/526945805.db2.gz QPDBIZXIPDEDCW-YOEHRIQHSA-N 2 1 310.413 1.840 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C)C(C)C ZINC000344485372 527650203 /nfs/dbraw/zinc/65/02/03/527650203.db2.gz WDBWNKHURXDOLE-BZUAXINKSA-N 2 1 309.454 1.178 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@@H]2CCO)CC1 ZINC000329935305 528958127 /nfs/dbraw/zinc/95/81/27/528958127.db2.gz CLXNGZFMDRUNKY-AWEZNQCLSA-N 2 1 315.483 1.227 20 30 DDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@@H]2CCO)CC1 ZINC000329935305 528958133 /nfs/dbraw/zinc/95/81/33/528958133.db2.gz CLXNGZFMDRUNKY-AWEZNQCLSA-N 2 1 315.483 1.227 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980244201 696717123 /nfs/dbraw/zinc/71/71/23/696717123.db2.gz XZMGOMDGKPQDKH-ULQDDVLXSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980244201 696717125 /nfs/dbraw/zinc/71/71/25/696717125.db2.gz XZMGOMDGKPQDKH-ULQDDVLXSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC000971828357 695104393 /nfs/dbraw/zinc/10/43/93/695104393.db2.gz LELXPBZFBZANIY-MRXNPFEDSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000971828357 695104396 /nfs/dbraw/zinc/10/43/96/695104396.db2.gz LELXPBZFBZANIY-MRXNPFEDSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000971828357 695104397 /nfs/dbraw/zinc/10/43/97/695104397.db2.gz LELXPBZFBZANIY-MRXNPFEDSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865457 695749124 /nfs/dbraw/zinc/74/91/24/695749124.db2.gz UGMXEQJOFAXKTL-SJORKVTESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974865457 695749126 /nfs/dbraw/zinc/74/91/26/695749126.db2.gz UGMXEQJOFAXKTL-SJORKVTESA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000977429099 696158567 /nfs/dbraw/zinc/15/85/67/696158567.db2.gz RPDWIZDYIJATPC-KRWDZBQOSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978278664 696356969 /nfs/dbraw/zinc/35/69/69/696356969.db2.gz VJUWANVXMJPLLH-LVQVYYBASA-N 2 1 314.433 1.631 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978278664 696356972 /nfs/dbraw/zinc/35/69/72/696356972.db2.gz VJUWANVXMJPLLH-LVQVYYBASA-N 2 1 314.433 1.631 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978415078 696379003 /nfs/dbraw/zinc/37/90/03/696379003.db2.gz OASPQWMQQLQJQN-NXOAAHMSSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978415078 696379005 /nfs/dbraw/zinc/37/90/05/696379005.db2.gz OASPQWMQQLQJQN-NXOAAHMSSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978415078 696379006 /nfs/dbraw/zinc/37/90/06/696379006.db2.gz OASPQWMQQLQJQN-NXOAAHMSSA-N 2 1 305.466 1.587 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3occc3C[NH+](C)C)[C@@H]2C1 ZINC000978644082 696431860 /nfs/dbraw/zinc/43/18/60/696431860.db2.gz SXKMAGUDPXSIMZ-PHZGNYQRSA-N 2 1 315.417 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@H+](CC4CC4)C[C@H]32)CC1 ZINC000979085279 696493463 /nfs/dbraw/zinc/49/34/63/696493463.db2.gz GAKSQICXMQTKIA-NNZMDNLPSA-N 2 1 315.461 1.036 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981803176 696922326 /nfs/dbraw/zinc/92/23/26/696922326.db2.gz TXNKOBPZPRFWTK-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981803176 696922327 /nfs/dbraw/zinc/92/23/27/696922327.db2.gz TXNKOBPZPRFWTK-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981803176 696922331 /nfs/dbraw/zinc/92/23/31/696922331.db2.gz TXNKOBPZPRFWTK-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813360 696927207 /nfs/dbraw/zinc/92/72/07/696927207.db2.gz JPFLWWWOCUCNAQ-OAHLLOKOSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813360 696927208 /nfs/dbraw/zinc/92/72/08/696927208.db2.gz JPFLWWWOCUCNAQ-OAHLLOKOSA-N 2 1 312.417 1.318 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000157386633 696976972 /nfs/dbraw/zinc/97/69/72/696976972.db2.gz BCLMYOYBALOVOU-DLBZAZTESA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157386633 696976973 /nfs/dbraw/zinc/97/69/73/696976973.db2.gz BCLMYOYBALOVOU-DLBZAZTESA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000157386633 696976976 /nfs/dbraw/zinc/97/69/76/696976976.db2.gz BCLMYOYBALOVOU-DLBZAZTESA-N 3 1 323.529 1.743 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981981965 696993679 /nfs/dbraw/zinc/99/36/79/696993679.db2.gz ARNHMAMRZLBHKM-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000982012690 697002818 /nfs/dbraw/zinc/00/28/18/697002818.db2.gz DIVULAFDEMXERW-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012690 697002820 /nfs/dbraw/zinc/00/28/20/697002820.db2.gz DIVULAFDEMXERW-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982012690 697002822 /nfs/dbraw/zinc/00/28/22/697002822.db2.gz DIVULAFDEMXERW-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982161922 697046043 /nfs/dbraw/zinc/04/60/43/697046043.db2.gz DLUJNSASPJCMCY-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981327497 697066884 /nfs/dbraw/zinc/06/68/84/697066884.db2.gz RGRPQIHQWBLKMX-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1 ZINC000981327497 697066886 /nfs/dbraw/zinc/06/68/86/697066886.db2.gz RGRPQIHQWBLKMX-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000981327497 697066887 /nfs/dbraw/zinc/06/68/87/697066887.db2.gz RGRPQIHQWBLKMX-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000981327497 697066889 /nfs/dbraw/zinc/06/68/89/697066889.db2.gz RGRPQIHQWBLKMX-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC)C[C@]2(C)C1 ZINC000982298948 697087047 /nfs/dbraw/zinc/08/70/47/697087047.db2.gz SCUCWMOPIGKVLF-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC)C[C@]2(C)C1 ZINC000982298948 697087050 /nfs/dbraw/zinc/08/70/50/697087050.db2.gz SCUCWMOPIGKVLF-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC)C[C@]2(C)C1 ZINC000982298948 697087053 /nfs/dbraw/zinc/08/70/53/697087053.db2.gz SCUCWMOPIGKVLF-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC)C[C@]2(C)C1 ZINC000982298948 697087056 /nfs/dbraw/zinc/08/70/56/697087056.db2.gz SCUCWMOPIGKVLF-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000178571946 697426218 /nfs/dbraw/zinc/42/62/18/697426218.db2.gz JVZXPLFNSFONCR-GDBMZVCRSA-N 2 1 310.486 1.970 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000985512691 697522804 /nfs/dbraw/zinc/52/28/04/697522804.db2.gz APDKBZZLVAKTCS-UHFFFAOYSA-N 2 1 306.410 1.459 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000985512691 697522806 /nfs/dbraw/zinc/52/28/06/697522806.db2.gz APDKBZZLVAKTCS-UHFFFAOYSA-N 2 1 306.410 1.459 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000303890837 698609890 /nfs/dbraw/zinc/60/98/90/698609890.db2.gz QFCFHXRLLRZXPI-JKSUJKDBSA-N 3 1 309.502 1.495 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000303905449 698611120 /nfs/dbraw/zinc/61/11/20/698611120.db2.gz ZKWRQWYVHKJVIW-MRXNPFEDSA-N 2 1 306.454 1.929 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc([S@](C)=O)cc1 ZINC000304774211 698625001 /nfs/dbraw/zinc/62/50/01/698625001.db2.gz FSOZSIIDFAQDND-PEBXRYMYSA-N 2 1 322.478 1.313 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000989673617 698720221 /nfs/dbraw/zinc/72/02/21/698720221.db2.gz UNJDJOLLIHGIOB-KRWDZBQOSA-N 2 1 323.481 1.455 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740704 698747679 /nfs/dbraw/zinc/74/76/79/698747679.db2.gz JCXFOVJPSULWPM-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740704 698747681 /nfs/dbraw/zinc/74/76/81/698747681.db2.gz JCXFOVJPSULWPM-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000728816303 699457016 /nfs/dbraw/zinc/45/70/16/699457016.db2.gz IGZVLVXNPKNYOE-UHFFFAOYSA-N 2 1 321.384 1.462 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000810428744 701768347 /nfs/dbraw/zinc/76/83/47/701768347.db2.gz MJPWWOFWQGJFMR-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+](CCOC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852749822 704112879 /nfs/dbraw/zinc/11/28/79/704112879.db2.gz GWDOKGMEOXJTGS-UHFFFAOYSA-N 2 1 316.445 1.991 20 30 DDEDMP C#CCC[N@H+](CCOC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852749822 704112884 /nfs/dbraw/zinc/11/28/84/704112884.db2.gz GWDOKGMEOXJTGS-UHFFFAOYSA-N 2 1 316.445 1.991 20 30 DDEDMP C=C(C)[C@@H](CO)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585427 704532804 /nfs/dbraw/zinc/53/28/04/704532804.db2.gz DWLREZMCXADLKD-QZTJIDSGSA-N 2 1 319.449 1.923 20 30 DDEDMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585427 704532805 /nfs/dbraw/zinc/53/28/05/704532805.db2.gz DWLREZMCXADLKD-QZTJIDSGSA-N 2 1 319.449 1.923 20 30 DDEDMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585427 704532806 /nfs/dbraw/zinc/53/28/06/704532806.db2.gz DWLREZMCXADLKD-QZTJIDSGSA-N 2 1 319.449 1.923 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000876750721 705856660 /nfs/dbraw/zinc/85/66/60/705856660.db2.gz RSUQPKWIAFWXBS-FUHWJXTLSA-N 2 1 324.428 1.442 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000876932215 705929292 /nfs/dbraw/zinc/92/92/92/705929292.db2.gz HFYWTZPWLFKYBB-LBPRGKRZSA-N 2 1 303.834 1.026 20 30 DDEDMP C=CC[C@H](C(=O)OC)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000878155661 706308754 /nfs/dbraw/zinc/30/87/54/706308754.db2.gz RRTCSGLUWKTJGV-MRXNPFEDSA-N 2 1 310.438 1.681 20 30 DDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000884188596 708179191 /nfs/dbraw/zinc/17/91/91/708179191.db2.gz LRAWFDFUAJSEAV-VXEMLPKJSA-N 2 1 318.465 1.362 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](C)C1 ZINC000884226165 708198848 /nfs/dbraw/zinc/19/88/48/708198848.db2.gz MCUJPURNWGJYCS-CLEAANHHSA-N 2 1 318.465 1.314 20 30 DDEDMP CC(C)C[N@@H+](C)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884380710 708271754 /nfs/dbraw/zinc/27/17/54/708271754.db2.gz KTEQRUTVWQSJQE-CKDBGZEDSA-N 2 1 306.454 1.220 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000900045803 709275829 /nfs/dbraw/zinc/27/58/29/709275829.db2.gz ZTYSKUMEMBSPKO-UHFFFAOYSA-N 2 1 315.461 1.881 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900797515 709763172 /nfs/dbraw/zinc/76/31/72/709763172.db2.gz FSZSJJUSGWIXBA-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894228637 711025182 /nfs/dbraw/zinc/02/51/82/711025182.db2.gz GZYONDKCANWEAQ-STQMWFEESA-N 2 1 302.365 1.671 20 30 DDEDMP C#CCN(C(=O)NCC[N@H+](C)[C@H](C)CC)C1CC[NH+](C)CC1 ZINC000916371636 713452531 /nfs/dbraw/zinc/45/25/31/713452531.db2.gz PSSOOLVGYSCSRZ-OAHLLOKOSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000917897801 713518612 /nfs/dbraw/zinc/51/86/12/713518612.db2.gz DDNYCIHLWMOPHB-KRWDZBQOSA-N 2 1 320.481 1.600 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000963946683 717953793 /nfs/dbraw/zinc/95/37/93/717953793.db2.gz JSPDOBRDJMNIIZ-CRIYYSNOSA-N 2 1 314.433 1.964 20 30 DDEDMP C=CCC[C@@H](O)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000923344050 714321474 /nfs/dbraw/zinc/32/14/74/714321474.db2.gz ZFILCJIZEXKHLL-CVEARBPZSA-N 2 1 318.465 1.691 20 30 DDEDMP C=CCC[C@@H](O)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000923344050 714321477 /nfs/dbraw/zinc/32/14/77/714321477.db2.gz ZFILCJIZEXKHLL-CVEARBPZSA-N 2 1 318.465 1.691 20 30 DDEDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000923371291 714331627 /nfs/dbraw/zinc/33/16/27/714331627.db2.gz XCVPILVCQSNWJO-GKLJAUDBSA-N 2 1 303.406 1.274 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413853 714348303 /nfs/dbraw/zinc/34/83/03/714348303.db2.gz IHVBTCIYKGSCFQ-BRWVUGGUSA-N 2 1 315.417 1.372 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000923413853 714348307 /nfs/dbraw/zinc/34/83/07/714348307.db2.gz IHVBTCIYKGSCFQ-BRWVUGGUSA-N 2 1 315.417 1.372 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000957552705 715951537 /nfs/dbraw/zinc/95/15/37/715951537.db2.gz XMYMDNWZBLQVDL-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000957644900 715981753 /nfs/dbraw/zinc/98/17/53/715981753.db2.gz NETYWGMIFFNTPS-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960151926 716433116 /nfs/dbraw/zinc/43/31/16/716433116.db2.gz SZEMXRUZAZDNNV-FICVDOATSA-N 2 1 317.458 1.493 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000961261939 716886640 /nfs/dbraw/zinc/88/66/40/716886640.db2.gz NBAZZXQTHUHYIW-IAGOWNOFSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838491 716984499 /nfs/dbraw/zinc/98/44/99/716984499.db2.gz HOGFSBNMPPQPBM-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838491 716984502 /nfs/dbraw/zinc/98/45/02/716984502.db2.gz HOGFSBNMPPQPBM-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838491 716984504 /nfs/dbraw/zinc/98/45/04/716984504.db2.gz HOGFSBNMPPQPBM-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838491 716984506 /nfs/dbraw/zinc/98/45/06/716984506.db2.gz HOGFSBNMPPQPBM-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC=C)CC2(C)C)CC1 ZINC000941237894 717136927 /nfs/dbraw/zinc/13/69/27/717136927.db2.gz SJEVBBYLLRDSPM-KRWDZBQOSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517751 717713968 /nfs/dbraw/zinc/71/39/68/717713968.db2.gz FUKUBNJUYSZYSM-RHSMWYFYSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581875 717761551 /nfs/dbraw/zinc/76/15/51/717761551.db2.gz OENPJOUKTMKBQW-GDBMZVCRSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@]34CC[N@@H+](C3)CCC4)C2)C1 ZINC000965885653 717797733 /nfs/dbraw/zinc/79/77/33/717797733.db2.gz DZFPDNSWFDVRMC-CSQARDAQSA-N 2 1 301.434 1.123 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779955 718906780 /nfs/dbraw/zinc/90/67/80/718906780.db2.gz WQIBFJKXNRWKJS-NCOADZHNSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779955 718906781 /nfs/dbraw/zinc/90/67/81/718906781.db2.gz WQIBFJKXNRWKJS-NCOADZHNSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779955 718906784 /nfs/dbraw/zinc/90/67/84/718906784.db2.gz WQIBFJKXNRWKJS-NCOADZHNSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC000947318777 719117896 /nfs/dbraw/zinc/11/78/96/719117896.db2.gz LKDHMTOWSAYJCH-HUUCEWRRSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947940875 719313364 /nfs/dbraw/zinc/31/33/64/719313364.db2.gz UPBZFDUXIIKEOK-CABCVRRESA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947940875 719313366 /nfs/dbraw/zinc/31/33/66/719313366.db2.gz UPBZFDUXIIKEOK-CABCVRRESA-N 2 1 314.433 1.754 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948270420 719425647 /nfs/dbraw/zinc/42/56/47/719425647.db2.gz ZMMRSKFWULCSFI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948270420 719425649 /nfs/dbraw/zinc/42/56/49/719425649.db2.gz ZMMRSKFWULCSFI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948270420 719425651 /nfs/dbraw/zinc/42/56/51/719425651.db2.gz ZMMRSKFWULCSFI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948270420 719425653 /nfs/dbraw/zinc/42/56/53/719425653.db2.gz ZMMRSKFWULCSFI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC000968925504 719875786 /nfs/dbraw/zinc/87/57/86/719875786.db2.gz FPWDPPLHBXCLGM-JKSUJKDBSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000969156418 719981609 /nfs/dbraw/zinc/98/16/09/719981609.db2.gz SEPCMKFQJRMNSX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156418 719981613 /nfs/dbraw/zinc/98/16/13/719981613.db2.gz SEPCMKFQJRMNSX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000969156418 719981615 /nfs/dbraw/zinc/98/16/15/719981615.db2.gz SEPCMKFQJRMNSX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCCN1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC000952444014 721450390 /nfs/dbraw/zinc/45/03/90/721450390.db2.gz GSGPIIIPMWOLQT-WBVHZDCISA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[NH+]1CCN(c2nc(Cl)cc(C3CC[NH2+]CC3)n2)CC1 ZINC001165031482 721865576 /nfs/dbraw/zinc/86/55/76/721865576.db2.gz LKAPQSZGKOEROO-UHFFFAOYSA-N 2 1 321.856 1.905 20 30 DDEDMP C=CC[NH+]1CCN(c2ccc(OCC3CC[NH2+]CC3)cn2)CC1 ZINC001165034914 721873541 /nfs/dbraw/zinc/87/35/41/721873541.db2.gz QBDFRPXUSNIAPA-UHFFFAOYSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707396 735408837 /nfs/dbraw/zinc/40/88/37/735408837.db2.gz QAOWMIUZOVZVNV-HNNXBMFYSA-N 2 1 314.433 1.613 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707396 735408839 /nfs/dbraw/zinc/40/88/39/735408839.db2.gz QAOWMIUZOVZVNV-HNNXBMFYSA-N 2 1 314.433 1.613 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCCF)C1 ZINC001023423697 735224294 /nfs/dbraw/zinc/22/42/94/735224294.db2.gz DEQPKAZWBDJAKA-CVEARBPZSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCCF)C1 ZINC001023423697 735224297 /nfs/dbraw/zinc/22/42/97/735224297.db2.gz DEQPKAZWBDJAKA-CVEARBPZSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCF)C1 ZINC001023423697 735224300 /nfs/dbraw/zinc/22/43/00/735224300.db2.gz DEQPKAZWBDJAKA-CVEARBPZSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCF)C1 ZINC001023423697 735224303 /nfs/dbraw/zinc/22/43/03/735224303.db2.gz DEQPKAZWBDJAKA-CVEARBPZSA-N 2 1 309.429 1.272 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001023447857 735243776 /nfs/dbraw/zinc/24/37/76/735243776.db2.gz YUJCFQRQUXZQIN-CABCVRRESA-N 2 1 302.422 1.460 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(CN(C)C)on1 ZINC001024522090 735897778 /nfs/dbraw/zinc/89/77/78/735897778.db2.gz ZOXWKXJMFCKUTG-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC=C)CC1 ZINC001024812443 736108559 /nfs/dbraw/zinc/10/85/59/736108559.db2.gz PEXKPOKNBFHQFE-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239630 736386482 /nfs/dbraw/zinc/38/64/82/736386482.db2.gz HANKBRCZTAWXDY-IRXDYDNUSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001025486153 736719599 /nfs/dbraw/zinc/71/95/99/736719599.db2.gz SESSRYIUTLRTNB-CABCVRRESA-N 2 1 310.401 1.798 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001025818143 736869512 /nfs/dbraw/zinc/86/95/12/736869512.db2.gz ULEJZVNCVVUTCF-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025818143 736869513 /nfs/dbraw/zinc/86/95/13/736869513.db2.gz ULEJZVNCVVUTCF-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818143 736869514 /nfs/dbraw/zinc/86/95/14/736869514.db2.gz ULEJZVNCVVUTCF-ZOFXXKQRSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346551 737085462 /nfs/dbraw/zinc/08/54/62/737085462.db2.gz RLUXVNMVVOEJOR-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038346551 737085467 /nfs/dbraw/zinc/08/54/67/737085467.db2.gz RLUXVNMVVOEJOR-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038346551 737085472 /nfs/dbraw/zinc/08/54/72/737085472.db2.gz RLUXVNMVVOEJOR-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346551 737085477 /nfs/dbraw/zinc/08/54/77/737085477.db2.gz RLUXVNMVVOEJOR-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346551 737085482 /nfs/dbraw/zinc/08/54/82/737085482.db2.gz RLUXVNMVVOEJOR-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001088317116 741379577 /nfs/dbraw/zinc/37/95/77/741379577.db2.gz RVFLAFHKVXWJQM-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027459657 738314210 /nfs/dbraw/zinc/31/42/10/738314210.db2.gz FUUYUAJTXQCRJI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138678 739080562 /nfs/dbraw/zinc/08/05/62/739080562.db2.gz VZTFNGSPHNGRJH-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138678 739080565 /nfs/dbraw/zinc/08/05/65/739080565.db2.gz VZTFNGSPHNGRJH-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001035389817 751460208 /nfs/dbraw/zinc/46/02/08/751460208.db2.gz QVRQQYJINFFFGT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001035389817 751460210 /nfs/dbraw/zinc/46/02/10/751460210.db2.gz QVRQQYJINFFFGT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389817 751460214 /nfs/dbraw/zinc/46/02/14/751460214.db2.gz QVRQQYJINFFFGT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389817 751460217 /nfs/dbraw/zinc/46/02/17/751460217.db2.gz QVRQQYJINFFFGT-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001035389945 751460374 /nfs/dbraw/zinc/46/03/74/751460374.db2.gz SPWFKVVZMRALNE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389945 751460375 /nfs/dbraw/zinc/46/03/75/751460375.db2.gz SPWFKVVZMRALNE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389945 751460377 /nfs/dbraw/zinc/46/03/77/751460377.db2.gz SPWFKVVZMRALNE-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587218 739700279 /nfs/dbraw/zinc/70/02/79/739700279.db2.gz HQRDHKCCSWDMDT-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587218 739700280 /nfs/dbraw/zinc/70/02/80/739700280.db2.gz HQRDHKCCSWDMDT-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587218 739700282 /nfs/dbraw/zinc/70/02/82/739700282.db2.gz HQRDHKCCSWDMDT-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028595305 739764444 /nfs/dbraw/zinc/76/44/44/739764444.db2.gz XGXQHDMUROYTKU-LSDHHAIUSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028595305 739764445 /nfs/dbraw/zinc/76/44/45/739764445.db2.gz XGXQHDMUROYTKU-LSDHHAIUSA-N 2 1 300.406 1.222 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001028766131 740011396 /nfs/dbraw/zinc/01/13/96/740011396.db2.gz MVECIISEMPRVMF-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766131 740011400 /nfs/dbraw/zinc/01/14/00/740011400.db2.gz MVECIISEMPRVMF-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766131 740011402 /nfs/dbraw/zinc/01/14/02/740011402.db2.gz MVECIISEMPRVMF-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028804912 740062733 /nfs/dbraw/zinc/06/27/33/740062733.db2.gz HDRYLCPRZGJOOI-AWEZNQCLSA-N 2 1 318.421 1.508 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001028804912 740062739 /nfs/dbraw/zinc/06/27/39/740062739.db2.gz HDRYLCPRZGJOOI-AWEZNQCLSA-N 2 1 318.421 1.508 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921618 740175669 /nfs/dbraw/zinc/17/56/69/740175669.db2.gz VRERXAOVYUKRJH-QGZVFWFLSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001029004437 740249868 /nfs/dbraw/zinc/24/98/68/740249868.db2.gz XLHUZPDCOYPJAX-QGZVFWFLSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998111918 751527565 /nfs/dbraw/zinc/52/75/65/751527565.db2.gz QYKRTTDCDPVYJD-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573881 740660136 /nfs/dbraw/zinc/66/01/36/740660136.db2.gz IMMVGHPMLXDXAG-YESZJQIVSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671768 740702709 /nfs/dbraw/zinc/70/27/09/740702709.db2.gz OSZMSKBCBLUYMZ-RCCFBDPRSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726182 740722889 /nfs/dbraw/zinc/72/28/89/740722889.db2.gz UTGGTBLBKKJNHO-HYVNUMGLSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726182 740722890 /nfs/dbraw/zinc/72/28/90/740722890.db2.gz UTGGTBLBKKJNHO-HYVNUMGLSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001087988508 740931274 /nfs/dbraw/zinc/93/12/74/740931274.db2.gz LLDBHSMUXDXQSE-CABCVRRESA-N 2 1 302.422 1.699 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cnc[nH]3)C[C@@H]2C1 ZINC001087988508 740931277 /nfs/dbraw/zinc/93/12/77/740931277.db2.gz LLDBHSMUXDXQSE-CABCVRRESA-N 2 1 302.422 1.699 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@@H]2C1 ZINC001088183820 741098040 /nfs/dbraw/zinc/09/80/40/741098040.db2.gz YBEJEUBLPCCHAB-CABCVRRESA-N 2 1 302.422 1.617 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2C1 ZINC001088187450 741100771 /nfs/dbraw/zinc/10/07/71/741100771.db2.gz YSNDBRILXWXXDM-CVEARBPZSA-N 2 1 314.433 1.156 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199885 741103485 /nfs/dbraw/zinc/10/34/85/741103485.db2.gz HBOLKKZWXHRWRX-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199885 741103486 /nfs/dbraw/zinc/10/34/86/741103486.db2.gz HBOLKKZWXHRWRX-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199885 741103487 /nfs/dbraw/zinc/10/34/87/741103487.db2.gz HBOLKKZWXHRWRX-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075906551 741887965 /nfs/dbraw/zinc/88/79/65/741887965.db2.gz PSWFLTCEFDNXNA-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075906551 741887968 /nfs/dbraw/zinc/88/79/68/741887968.db2.gz PSWFLTCEFDNXNA-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075906551 741887971 /nfs/dbraw/zinc/88/79/71/741887971.db2.gz PSWFLTCEFDNXNA-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001180899520 742976584 /nfs/dbraw/zinc/97/65/84/742976584.db2.gz OAJLYTPJDFVZTA-XNRPHZJLSA-N 2 1 313.873 1.907 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC#Cc2ccccc2Cl)C1 ZINC001151049025 743268614 /nfs/dbraw/zinc/26/86/14/743268614.db2.gz HOXIGIBGSNXTEF-HNNXBMFYSA-N 2 1 319.836 1.349 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001181823062 743354217 /nfs/dbraw/zinc/35/42/17/743354217.db2.gz XVNVUGRROPPNTE-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181823062 743354226 /nfs/dbraw/zinc/35/42/26/743354226.db2.gz XVNVUGRROPPNTE-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040396513 743498787 /nfs/dbraw/zinc/49/87/87/743498787.db2.gz UTEYSMHJOKEQHE-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396513 743498790 /nfs/dbraw/zinc/49/87/90/743498790.db2.gz UTEYSMHJOKEQHE-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040396513 743498797 /nfs/dbraw/zinc/49/87/97/743498797.db2.gz UTEYSMHJOKEQHE-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182369642 743594551 /nfs/dbraw/zinc/59/45/51/743594551.db2.gz UVFMUSJMMRZURE-VUHPKUFZSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577346 743916260 /nfs/dbraw/zinc/91/62/60/743916260.db2.gz PNPAEOFONMMMPG-HZPDHXFCSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030438503 744159044 /nfs/dbraw/zinc/15/90/44/744159044.db2.gz CGNCHCOIPRJIET-QGZVFWFLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030438503 744159046 /nfs/dbraw/zinc/15/90/46/744159046.db2.gz CGNCHCOIPRJIET-QGZVFWFLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185198887 744178258 /nfs/dbraw/zinc/17/82/58/744178258.db2.gz FHOMDCNONMMFDZ-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001185216926 744182125 /nfs/dbraw/zinc/18/21/25/744182125.db2.gz RUYZYPAAASGBLD-JKSUJKDBSA-N 2 1 316.449 1.714 20 30 DDEDMP CCCCCCC[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168424916 744468481 /nfs/dbraw/zinc/46/84/81/744468481.db2.gz KSHNSAWGTQUNIC-UHFFFAOYSA-N 2 1 313.486 1.775 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001110386459 744471159 /nfs/dbraw/zinc/47/11/59/744471159.db2.gz PWRCWAJCFBKHOT-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386459 744471161 /nfs/dbraw/zinc/47/11/61/744471161.db2.gz PWRCWAJCFBKHOT-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001110386459 744471163 /nfs/dbraw/zinc/47/11/63/744471163.db2.gz PWRCWAJCFBKHOT-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC000992703472 745127850 /nfs/dbraw/zinc/12/78/50/745127850.db2.gz BDYRPKGQLXJYQR-BHYGNILZSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000992919484 745292350 /nfs/dbraw/zinc/29/23/50/745292350.db2.gz OIBFRSSOGPJECP-ARFHVFGLSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001190725466 745307843 /nfs/dbraw/zinc/30/78/43/745307843.db2.gz QNJWVNGKQBEKJV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCCCC)C1 ZINC001190725466 745307847 /nfs/dbraw/zinc/30/78/47/745307847.db2.gz QNJWVNGKQBEKJV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001190725466 745307850 /nfs/dbraw/zinc/30/78/50/745307850.db2.gz QNJWVNGKQBEKJV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCC)C1 ZINC001190725466 745307855 /nfs/dbraw/zinc/30/78/55/745307855.db2.gz QNJWVNGKQBEKJV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCCCC)C1 ZINC001190725466 745307859 /nfs/dbraw/zinc/30/78/59/745307859.db2.gz QNJWVNGKQBEKJV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192355307 745765562 /nfs/dbraw/zinc/76/55/62/745765562.db2.gz QPWWQBOKFQBXLS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355307 745765565 /nfs/dbraw/zinc/76/55/65/745765565.db2.gz QPWWQBOKFQBXLS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355307 745765572 /nfs/dbraw/zinc/76/55/72/745765572.db2.gz QPWWQBOKFQBXLS-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106804335 746123766 /nfs/dbraw/zinc/12/37/66/746123766.db2.gz NADHSFJVWOMKMN-HUUCEWRRSA-N 2 1 323.400 1.198 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360680 752109511 /nfs/dbraw/zinc/10/95/11/752109511.db2.gz SVPIKXCWGPFQJV-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC(C)(C)C1 ZINC001089392736 746777355 /nfs/dbraw/zinc/77/73/55/746777355.db2.gz XBZIIKGEKJGQHW-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003010795 746904408 /nfs/dbraw/zinc/90/44/08/746904408.db2.gz LHXBVQYRURLQAR-KRWDZBQOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229827 747064741 /nfs/dbraw/zinc/06/47/41/747064741.db2.gz JHPUDXWOVALRJO-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001197157925 747088989 /nfs/dbraw/zinc/08/89/89/747088989.db2.gz ACIXVNJUICNROX-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001197157925 747088994 /nfs/dbraw/zinc/08/89/94/747088994.db2.gz ACIXVNJUICNROX-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001197157925 747088998 /nfs/dbraw/zinc/08/89/98/747088998.db2.gz ACIXVNJUICNROX-INIZCTEOSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492737 747102885 /nfs/dbraw/zinc/10/28/85/747102885.db2.gz NJXLWOACQOLDLE-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492737 747102887 /nfs/dbraw/zinc/10/28/87/747102887.db2.gz NJXLWOACQOLDLE-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)CC(C)(C)C1 ZINC001089492737 747102890 /nfs/dbraw/zinc/10/28/90/747102890.db2.gz NJXLWOACQOLDLE-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001031741313 747628888 /nfs/dbraw/zinc/62/88/88/747628888.db2.gz WEGPJLBJBWVKMZ-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCCC2)C1 ZINC001031741313 747628894 /nfs/dbraw/zinc/62/88/94/747628894.db2.gz WEGPJLBJBWVKMZ-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089851001 748066388 /nfs/dbraw/zinc/06/63/88/748066388.db2.gz SAQIJJSIQPFNAE-FJIDUMEYSA-N 2 1 317.477 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089871388 748510060 /nfs/dbraw/zinc/51/00/60/748510060.db2.gz YNXBLWJKAWTJCI-UKMLZYKCSA-N 2 1 300.406 1.307 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201808880 748607008 /nfs/dbraw/zinc/60/70/08/748607008.db2.gz IMOLKTMCUFNHAQ-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554168 748681377 /nfs/dbraw/zinc/68/13/77/748681377.db2.gz YBRZMTUPSZUYOH-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554168 748681382 /nfs/dbraw/zinc/68/13/82/748681382.db2.gz YBRZMTUPSZUYOH-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554168 748681390 /nfs/dbraw/zinc/68/13/90/748681390.db2.gz YBRZMTUPSZUYOH-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001202197131 748710042 /nfs/dbraw/zinc/71/00/42/748710042.db2.gz NPHLOEHDJMQAGV-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032182164 748775441 /nfs/dbraw/zinc/77/54/41/748775441.db2.gz FYDRQCHAJGLEFC-KRWDZBQOSA-N 2 1 312.417 1.058 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001032182164 748775449 /nfs/dbraw/zinc/77/54/49/748775449.db2.gz FYDRQCHAJGLEFC-KRWDZBQOSA-N 2 1 312.417 1.058 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033201333 748909945 /nfs/dbraw/zinc/90/99/45/748909945.db2.gz ANBXBCQMGMOJTP-RDJZCZTQSA-N 2 1 316.449 1.944 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039289804 761913786 /nfs/dbraw/zinc/91/37/86/761913786.db2.gz QWBCFLNDEWHLNX-MQVJKMGUSA-N 2 1 302.422 1.879 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033414788 749311787 /nfs/dbraw/zinc/31/17/87/749311787.db2.gz FBVBNSIGVOBBTO-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033414788 749311794 /nfs/dbraw/zinc/31/17/94/749311794.db2.gz FBVBNSIGVOBBTO-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033414788 749311801 /nfs/dbraw/zinc/31/18/01/749311801.db2.gz FBVBNSIGVOBBTO-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnccc2N(C)C)C1 ZINC001033584999 749590343 /nfs/dbraw/zinc/59/03/43/749590343.db2.gz DGNXREKTQWQPFA-CQSZACIVSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033584999 749590353 /nfs/dbraw/zinc/59/03/53/749590353.db2.gz DGNXREKTQWQPFA-CQSZACIVSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000996611826 749771073 /nfs/dbraw/zinc/77/10/73/749771073.db2.gz MLBNNKINGHTAKL-AWEZNQCLSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388312 761987926 /nfs/dbraw/zinc/98/79/26/761987926.db2.gz KYFOFUGBNRBONJ-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388312 761987929 /nfs/dbraw/zinc/98/79/29/761987929.db2.gz KYFOFUGBNRBONJ-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388312 761987934 /nfs/dbraw/zinc/98/79/34/761987934.db2.gz KYFOFUGBNRBONJ-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001128774942 750064876 /nfs/dbraw/zinc/06/48/76/750064876.db2.gz ZQSMHTISEITZGP-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960164 750171515 /nfs/dbraw/zinc/17/15/15/750171515.db2.gz ZMFKOLVCZXIKKM-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033960164 750171521 /nfs/dbraw/zinc/17/15/21/750171521.db2.gz ZMFKOLVCZXIKKM-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614424 750244475 /nfs/dbraw/zinc/24/44/75/750244475.db2.gz ARSYOZQLMJNAHF-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614424 750244478 /nfs/dbraw/zinc/24/44/78/750244478.db2.gz ARSYOZQLMJNAHF-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614424 750244480 /nfs/dbraw/zinc/24/44/80/750244480.db2.gz ARSYOZQLMJNAHF-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005639224 750733380 /nfs/dbraw/zinc/73/33/80/750733380.db2.gz GWKHSHAYYKCBLR-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001040431067 750980676 /nfs/dbraw/zinc/98/06/76/750980676.db2.gz FKPHOOHWSILQJG-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2nccn2C1 ZINC001032484876 750998255 /nfs/dbraw/zinc/99/82/55/750998255.db2.gz QLEOXBASGDFSHV-PMPSAXMXSA-N 2 1 314.433 1.697 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000998902671 752352524 /nfs/dbraw/zinc/35/25/24/752352524.db2.gz WXWMWLSMKQDPCU-YMAMQOFZSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990638 752486595 /nfs/dbraw/zinc/48/65/95/752486595.db2.gz OUAIPZVZUUUYQC-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007990638 752486602 /nfs/dbraw/zinc/48/66/02/752486602.db2.gz OUAIPZVZUUUYQC-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007990638 752486608 /nfs/dbraw/zinc/48/66/08/752486608.db2.gz OUAIPZVZUUUYQC-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008338637 752681657 /nfs/dbraw/zinc/68/16/57/752681657.db2.gz DXNYUPKAHUROGT-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008338637 752681662 /nfs/dbraw/zinc/68/16/62/752681662.db2.gz DXNYUPKAHUROGT-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784714 753656319 /nfs/dbraw/zinc/65/63/19/753656319.db2.gz GPOLPDZNBOXKRB-ULQDDVLXSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001032784714 753656323 /nfs/dbraw/zinc/65/63/23/753656323.db2.gz GPOLPDZNBOXKRB-ULQDDVLXSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001040106673 762387211 /nfs/dbraw/zinc/38/72/11/762387211.db2.gz CJNUEEXPVRYIMR-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040106673 762387212 /nfs/dbraw/zinc/38/72/12/762387212.db2.gz CJNUEEXPVRYIMR-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001040106673 762387215 /nfs/dbraw/zinc/38/72/15/762387215.db2.gz CJNUEEXPVRYIMR-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080700169 756059031 /nfs/dbraw/zinc/05/90/31/756059031.db2.gz PEEONFOWMTXQSA-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040244243 762455917 /nfs/dbraw/zinc/45/59/17/762455917.db2.gz HYENBAIHYVEANP-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244243 762455918 /nfs/dbraw/zinc/45/59/18/762455918.db2.gz HYENBAIHYVEANP-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040244243 762455919 /nfs/dbraw/zinc/45/59/19/762455919.db2.gz HYENBAIHYVEANP-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263957 762467243 /nfs/dbraw/zinc/46/72/43/762467243.db2.gz KDZOJKZFXSMVET-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263957 762467247 /nfs/dbraw/zinc/46/72/47/762467247.db2.gz KDZOJKZFXSMVET-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001040263957 762467249 /nfs/dbraw/zinc/46/72/49/762467249.db2.gz KDZOJKZFXSMVET-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040396544 762523832 /nfs/dbraw/zinc/52/38/32/762523832.db2.gz VHKMTZJYIKDBHD-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040396544 762523834 /nfs/dbraw/zinc/52/38/34/762523834.db2.gz VHKMTZJYIKDBHD-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001040396544 762523841 /nfs/dbraw/zinc/52/38/41/762523841.db2.gz VHKMTZJYIKDBHD-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016664918 757248421 /nfs/dbraw/zinc/24/84/21/757248421.db2.gz ZVBBIDBMGFPGRN-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001084405988 757563937 /nfs/dbraw/zinc/56/39/37/757563937.db2.gz BPLJPYWGUPXDJW-ZACQAIPSSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860919 757617901 /nfs/dbraw/zinc/61/79/01/757617901.db2.gz VCPCINOBIAYPDC-OAGGEKHMSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860919 757617907 /nfs/dbraw/zinc/61/79/07/757617907.db2.gz VCPCINOBIAYPDC-OAGGEKHMSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001097860919 757617911 /nfs/dbraw/zinc/61/79/11/757617911.db2.gz VCPCINOBIAYPDC-OAGGEKHMSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001097860919 757617916 /nfs/dbraw/zinc/61/79/16/757617916.db2.gz VCPCINOBIAYPDC-OAGGEKHMSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545593 757655322 /nfs/dbraw/zinc/65/53/22/757655322.db2.gz PZNANAFVLGOYCL-KURKYZTESA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084612914 757710299 /nfs/dbraw/zinc/71/02/99/757710299.db2.gz TWFNQPCKJYRIHP-BFYDXBDKSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084612914 757710304 /nfs/dbraw/zinc/71/03/04/757710304.db2.gz TWFNQPCKJYRIHP-BFYDXBDKSA-N 2 1 314.433 1.473 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3CC)[C@@H]2C1 ZINC001084852481 757982536 /nfs/dbraw/zinc/98/25/36/757982536.db2.gz BDSKEOFTWVZQTQ-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852481 757982540 /nfs/dbraw/zinc/98/25/40/757982540.db2.gz BDSKEOFTWVZQTQ-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852481 757982548 /nfs/dbraw/zinc/98/25/48/757982548.db2.gz BDSKEOFTWVZQTQ-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852481 757982555 /nfs/dbraw/zinc/98/25/55/757982555.db2.gz BDSKEOFTWVZQTQ-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017572079 758040788 /nfs/dbraw/zinc/04/07/88/758040788.db2.gz UBIUDDXXHFISIF-VVLHAWIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017572079 758040793 /nfs/dbraw/zinc/04/07/93/758040793.db2.gz UBIUDDXXHFISIF-VVLHAWIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001017572079 758040799 /nfs/dbraw/zinc/04/07/99/758040799.db2.gz UBIUDDXXHFISIF-VVLHAWIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085096918 758235283 /nfs/dbraw/zinc/23/52/83/758235283.db2.gz ZEEDOTAOXMZTGU-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085096918 758235289 /nfs/dbraw/zinc/23/52/89/758235289.db2.gz ZEEDOTAOXMZTGU-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096918 758235299 /nfs/dbraw/zinc/23/52/99/758235299.db2.gz ZEEDOTAOXMZTGU-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096918 758235309 /nfs/dbraw/zinc/23/53/09/758235309.db2.gz ZEEDOTAOXMZTGU-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054061396 759115061 /nfs/dbraw/zinc/11/50/61/759115061.db2.gz YUPVABPSKWQLGQ-QZTJIDSGSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054061396 759115068 /nfs/dbraw/zinc/11/50/68/759115068.db2.gz YUPVABPSKWQLGQ-QZTJIDSGSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061396 759115074 /nfs/dbraw/zinc/11/50/74/759115074.db2.gz YUPVABPSKWQLGQ-QZTJIDSGSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061396 759115079 /nfs/dbraw/zinc/11/50/79/759115079.db2.gz YUPVABPSKWQLGQ-QZTJIDSGSA-N 2 1 313.445 1.667 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192516 759276392 /nfs/dbraw/zinc/27/63/92/759276392.db2.gz ZLIVDXJIJMKPIQ-MJGOQNOKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054198058 759284392 /nfs/dbraw/zinc/28/43/92/759284392.db2.gz OMVHAFQRGRUDOC-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198058 759284395 /nfs/dbraw/zinc/28/43/95/759284395.db2.gz OMVHAFQRGRUDOC-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054198058 759284401 /nfs/dbraw/zinc/28/44/01/759284401.db2.gz OMVHAFQRGRUDOC-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241611 759332954 /nfs/dbraw/zinc/33/29/54/759332954.db2.gz VNLNPXUZVVPWKY-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241611 759332964 /nfs/dbraw/zinc/33/29/64/759332964.db2.gz VNLNPXUZVVPWKY-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001018878643 759361493 /nfs/dbraw/zinc/36/14/93/759361493.db2.gz OKQTUNSSLBYFKQ-BBRMVZONSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001018878643 759361504 /nfs/dbraw/zinc/36/15/04/759361504.db2.gz OKQTUNSSLBYFKQ-BBRMVZONSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108214130 760391073 /nfs/dbraw/zinc/39/10/73/760391073.db2.gz ZSWNVRRGCIEVTA-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108214130 760391082 /nfs/dbraw/zinc/39/10/82/760391082.db2.gz ZSWNVRRGCIEVTA-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108214130 760391091 /nfs/dbraw/zinc/39/10/91/760391091.db2.gz ZSWNVRRGCIEVTA-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001085876195 760432895 /nfs/dbraw/zinc/43/28/95/760432895.db2.gz UOHABOXCZPSMNK-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@H](C)CC)CC1 ZINC001085986849 760656942 /nfs/dbraw/zinc/65/69/42/760656942.db2.gz OFRMKTPZTPIAQJ-SJLPKXTDSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108259779 761300545 /nfs/dbraw/zinc/30/05/45/761300545.db2.gz FASNLLPYGQCEJQ-GOSISDBHSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108259779 761300554 /nfs/dbraw/zinc/30/05/54/761300554.db2.gz FASNLLPYGQCEJQ-GOSISDBHSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082441 761596506 /nfs/dbraw/zinc/59/65/06/761596506.db2.gz BRKYPJMMYZOJCS-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082441 761596512 /nfs/dbraw/zinc/59/65/12/761596512.db2.gz BRKYPJMMYZOJCS-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100082441 761596518 /nfs/dbraw/zinc/59/65/18/761596518.db2.gz BRKYPJMMYZOJCS-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001039014934 761649822 /nfs/dbraw/zinc/64/98/22/761649822.db2.gz GVLPYZRTWAQEEB-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001039014934 761649826 /nfs/dbraw/zinc/64/98/26/761649826.db2.gz GVLPYZRTWAQEEB-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001039014934 761649830 /nfs/dbraw/zinc/64/98/30/761649830.db2.gz GVLPYZRTWAQEEB-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001039014934 761649832 /nfs/dbraw/zinc/64/98/32/761649832.db2.gz GVLPYZRTWAQEEB-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001000363506 761669005 /nfs/dbraw/zinc/66/90/05/761669005.db2.gz JGMXHEAZWIUTAV-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001001372342 762799263 /nfs/dbraw/zinc/79/92/63/762799263.db2.gz UNAQVFHGGBAJNO-IAGOWNOFSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041342616 762967812 /nfs/dbraw/zinc/96/78/12/762967812.db2.gz FJXYSLVPGKUXHM-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342616 762967813 /nfs/dbraw/zinc/96/78/13/762967813.db2.gz FJXYSLVPGKUXHM-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342616 762967816 /nfs/dbraw/zinc/96/78/16/762967816.db2.gz FJXYSLVPGKUXHM-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041844657 763401822 /nfs/dbraw/zinc/40/18/22/763401822.db2.gz CCYHWFHBUUCWRH-MJGOQNOKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001050546972 763740026 /nfs/dbraw/zinc/74/00/26/763740026.db2.gz VQHCWDCGAHYBEX-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001046968750 768159332 /nfs/dbraw/zinc/15/93/32/768159332.db2.gz NWGNKIQUUHEPBR-CQSZACIVSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001050662485 763884244 /nfs/dbraw/zinc/88/42/44/763884244.db2.gz IOSGBKIAWBDWGL-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001050664953 763890252 /nfs/dbraw/zinc/89/02/52/763890252.db2.gz TXLBDMMVKJZSEC-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046992773 768176544 /nfs/dbraw/zinc/17/65/44/768176544.db2.gz CINOLRVYEQALPB-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992773 768176547 /nfs/dbraw/zinc/17/65/47/768176547.db2.gz CINOLRVYEQALPB-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046992773 768176550 /nfs/dbraw/zinc/17/65/50/768176550.db2.gz CINOLRVYEQALPB-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050727962 763967539 /nfs/dbraw/zinc/96/75/39/763967539.db2.gz NZTMKXSLRFOVAW-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001111552607 764290324 /nfs/dbraw/zinc/29/03/24/764290324.db2.gz IYEINVIRLFMQPG-MRXNPFEDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042718020 764383747 /nfs/dbraw/zinc/38/37/47/764383747.db2.gz DTSDUERSQXNJPZ-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051097602 764502431 /nfs/dbraw/zinc/50/24/31/764502431.db2.gz BZNCLWNESDGVEM-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051097602 764502433 /nfs/dbraw/zinc/50/24/33/764502433.db2.gz BZNCLWNESDGVEM-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307379 764728636 /nfs/dbraw/zinc/72/86/36/764728636.db2.gz YAPNSFLQNWIONR-QGZVFWFLSA-N 2 1 311.429 1.246 20 30 DDEDMP C#CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307379 764728639 /nfs/dbraw/zinc/72/86/39/764728639.db2.gz YAPNSFLQNWIONR-QGZVFWFLSA-N 2 1 311.429 1.246 20 30 DDEDMP C#CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307379 764728644 /nfs/dbraw/zinc/72/86/44/764728644.db2.gz YAPNSFLQNWIONR-QGZVFWFLSA-N 2 1 311.429 1.246 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444568 766310982 /nfs/dbraw/zinc/31/09/82/766310982.db2.gz PKCSLMAGPYREIM-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001045945763 766729309 /nfs/dbraw/zinc/72/93/09/766729309.db2.gz ZEKNPTPXEDMQKW-PKOBYXMFSA-N 2 1 319.493 1.910 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1)C1CCC1 ZINC001129526438 766914970 /nfs/dbraw/zinc/91/49/70/766914970.db2.gz HHALNARPFOKKTQ-UHFFFAOYSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)sc1C ZINC001129790856 766995839 /nfs/dbraw/zinc/99/58/39/766995839.db2.gz KWAWGPFSCPVIIT-INIZCTEOSA-N 2 1 319.474 1.668 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)sc1C ZINC001129790856 766995846 /nfs/dbraw/zinc/99/58/46/766995846.db2.gz KWAWGPFSCPVIIT-INIZCTEOSA-N 2 1 319.474 1.668 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001129771491 767000003 /nfs/dbraw/zinc/00/00/03/767000003.db2.gz YNHGGHGJCLYOFF-ZDUSSCGKSA-N 2 1 319.371 1.522 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCCC(F)(F)F ZINC001129771491 767000011 /nfs/dbraw/zinc/00/00/11/767000011.db2.gz YNHGGHGJCLYOFF-ZDUSSCGKSA-N 2 1 319.371 1.522 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001046331006 767430137 /nfs/dbraw/zinc/43/01/37/767430137.db2.gz ZJCCQDMTJAUVNL-RDJZCZTQSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCN1CC[C@](C)(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001046331006 767430139 /nfs/dbraw/zinc/43/01/39/767430139.db2.gz ZJCCQDMTJAUVNL-RDJZCZTQSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398850 767510309 /nfs/dbraw/zinc/51/03/09/767510309.db2.gz GWGHAZBWLVLFQM-DZGCQCFKSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569804 767698173 /nfs/dbraw/zinc/69/81/73/767698173.db2.gz OEFJPSFBHJREDW-RHSMWYFYSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569804 767698175 /nfs/dbraw/zinc/69/81/75/767698175.db2.gz OEFJPSFBHJREDW-RHSMWYFYSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046617066 767742910 /nfs/dbraw/zinc/74/29/10/767742910.db2.gz AJRWPHUJLCNALA-QAPCUYQASA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046617066 767742913 /nfs/dbraw/zinc/74/29/13/767742913.db2.gz AJRWPHUJLCNALA-QAPCUYQASA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377537 768795396 /nfs/dbraw/zinc/79/53/96/768795396.db2.gz YFHXKQJJURQRMN-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@H](C)O2 ZINC001071241550 769182768 /nfs/dbraw/zinc/18/27/68/769182768.db2.gz WRUNDXNOXNQEAF-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132938328 769336122 /nfs/dbraw/zinc/33/61/22/769336122.db2.gz TZHAEDGQJLQWTG-JKSUJKDBSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829815 769955900 /nfs/dbraw/zinc/95/59/00/769955900.db2.gz YXWTYVJKKONXPW-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829815 769955910 /nfs/dbraw/zinc/95/59/10/769955910.db2.gz YXWTYVJKKONXPW-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@H]2C1 ZINC001048829815 769955913 /nfs/dbraw/zinc/95/59/13/769955913.db2.gz YXWTYVJKKONXPW-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)C[C@H]2C1 ZINC001048931197 770127410 /nfs/dbraw/zinc/12/74/10/770127410.db2.gz CGRDIEOICNFYLC-GASCZTMLSA-N 2 1 323.400 1.457 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@H]1C ZINC001071873100 770206110 /nfs/dbraw/zinc/20/61/10/770206110.db2.gz RIWKZLIJMRNROK-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001133842494 770346315 /nfs/dbraw/zinc/34/63/15/770346315.db2.gz SHDHOGDNIZQVCO-ZDUSSCGKSA-N 2 1 318.396 1.245 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001133846083 770354543 /nfs/dbraw/zinc/35/45/43/770354543.db2.gz SUJAAYPEKRRECX-CQSZACIVSA-N 2 1 300.406 1.106 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001133867207 770388242 /nfs/dbraw/zinc/38/82/42/770388242.db2.gz ROVTWGRIXRLBSU-RHSMWYFYSA-N 2 1 317.408 1.081 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175258 770500591 /nfs/dbraw/zinc/50/05/91/770500591.db2.gz QIQBDMZFPMHTIS-GASCZTMLSA-N 2 1 314.433 1.728 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175258 770500598 /nfs/dbraw/zinc/50/05/98/770500598.db2.gz QIQBDMZFPMHTIS-GASCZTMLSA-N 2 1 314.433 1.728 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049526223 770978991 /nfs/dbraw/zinc/97/89/91/770978991.db2.gz URGJUGWNESEPFO-BZUAXINKSA-N 2 1 312.417 1.459 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001049526223 770978998 /nfs/dbraw/zinc/97/89/98/770978998.db2.gz URGJUGWNESEPFO-BZUAXINKSA-N 2 1 312.417 1.459 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688159 771087923 /nfs/dbraw/zinc/08/79/23/771087923.db2.gz RTRJKSHSHQJFEW-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134805627 771185354 /nfs/dbraw/zinc/18/53/54/771185354.db2.gz XLRULORUBLFCFU-STQMWFEESA-N 2 1 308.426 1.799 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020663 771281559 /nfs/dbraw/zinc/28/15/59/771281559.db2.gz ITZXYADIATUASP-GJZGRUSLSA-N 2 1 316.449 1.658 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585089 771587959 /nfs/dbraw/zinc/58/79/59/771587959.db2.gz PVCRJZVBSTZKTO-GJZGRUSLSA-N 2 1 304.438 1.903 20 30 DDEDMP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001171183120 772529360 /nfs/dbraw/zinc/52/93/60/772529360.db2.gz BOFWMCJMRIPBMV-MRXNPFEDSA-N 2 1 300.450 1.716 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001171248249 772709686 /nfs/dbraw/zinc/70/96/86/772709686.db2.gz RDZBEJRWPDISIM-HZPDHXFCSA-N 2 1 321.469 1.264 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149400341 772778340 /nfs/dbraw/zinc/77/83/40/772778340.db2.gz WUCPJKNVDAVECW-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400341 772778343 /nfs/dbraw/zinc/77/83/43/772778343.db2.gz WUCPJKNVDAVECW-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400341 772778344 /nfs/dbraw/zinc/77/83/44/772778344.db2.gz WUCPJKNVDAVECW-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCC)CCCO1 ZINC001073639687 773254768 /nfs/dbraw/zinc/25/47/68/773254768.db2.gz JMFMTDDYNPAUEH-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCC)CCCO1 ZINC001073639687 773254773 /nfs/dbraw/zinc/25/47/73/773254773.db2.gz JMFMTDDYNPAUEH-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCC)CCCO1 ZINC001073639687 773254778 /nfs/dbraw/zinc/25/47/78/773254778.db2.gz JMFMTDDYNPAUEH-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCC)CCCO1 ZINC001073639687 773254781 /nfs/dbraw/zinc/25/47/81/773254781.db2.gz JMFMTDDYNPAUEH-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001091735818 773533929 /nfs/dbraw/zinc/53/39/29/773533929.db2.gz YKTBGTXSLNQBSO-WBVHZDCISA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819082 773828356 /nfs/dbraw/zinc/82/83/56/773828356.db2.gz PFPJGUARLZFUDP-AEFFLSMTSA-N 2 1 315.461 1.418 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013296 773920454 /nfs/dbraw/zinc/92/04/54/773920454.db2.gz MNNZQRYQIVYGCJ-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013296 773920448 /nfs/dbraw/zinc/92/04/48/773920448.db2.gz MNNZQRYQIVYGCJ-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013296 773920450 /nfs/dbraw/zinc/92/04/50/773920450.db2.gz MNNZQRYQIVYGCJ-JZXOWHBKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203089 774005087 /nfs/dbraw/zinc/00/50/87/774005087.db2.gz CHSFYCJNUXYLTN-WBVHZDCISA-N 2 1 303.450 1.439 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001074686203 774066951 /nfs/dbraw/zinc/06/69/51/774066951.db2.gz YVJRVBDBZLDULQ-SOUVJXGZSA-N 2 1 302.422 1.916 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001092690077 774233023 /nfs/dbraw/zinc/23/30/23/774233023.db2.gz ZVZZIIHPNSLBPE-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001092690077 774233026 /nfs/dbraw/zinc/23/30/26/774233026.db2.gz ZVZZIIHPNSLBPE-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCF)C[C@H]1C ZINC001092690077 774233031 /nfs/dbraw/zinc/23/30/31/774233031.db2.gz ZVZZIIHPNSLBPE-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCF)C[C@H]1C ZINC001092690077 774233032 /nfs/dbraw/zinc/23/30/32/774233032.db2.gz ZVZZIIHPNSLBPE-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092763103 774253817 /nfs/dbraw/zinc/25/38/17/774253817.db2.gz OXEQAWHVXJXDRV-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092763103 774253821 /nfs/dbraw/zinc/25/38/21/774253821.db2.gz OXEQAWHVXJXDRV-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001092763103 774253826 /nfs/dbraw/zinc/25/38/26/774253826.db2.gz OXEQAWHVXJXDRV-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](C)C1 ZINC001093120974 774410201 /nfs/dbraw/zinc/41/02/01/774410201.db2.gz RTGPJIKPSJMWEI-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120974 774410202 /nfs/dbraw/zinc/41/02/02/774410202.db2.gz RTGPJIKPSJMWEI-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](C)C1 ZINC001093120974 774410204 /nfs/dbraw/zinc/41/02/04/774410204.db2.gz RTGPJIKPSJMWEI-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099123224 774850518 /nfs/dbraw/zinc/85/05/18/774850518.db2.gz YSEKJYFWVQAXFP-YJBOKZPZSA-N 2 1 303.450 1.629 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001099311144 774942120 /nfs/dbraw/zinc/94/21/20/774942120.db2.gz YJWBBYXWHPMHLK-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099311144 774942122 /nfs/dbraw/zinc/94/21/22/774942122.db2.gz YJWBBYXWHPMHLK-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001099311144 774942124 /nfs/dbraw/zinc/94/21/24/774942124.db2.gz YJWBBYXWHPMHLK-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099538711 775021224 /nfs/dbraw/zinc/02/12/24/775021224.db2.gz XIDULPFIDJBEER-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001100024160 775588102 /nfs/dbraw/zinc/58/81/02/775588102.db2.gz FHQSYSUFHCASCM-LSDHHAIUSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001100024160 775588109 /nfs/dbraw/zinc/58/81/09/775588109.db2.gz FHQSYSUFHCASCM-LSDHHAIUSA-N 2 1 320.437 1.134 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001100677372 776429296 /nfs/dbraw/zinc/42/92/96/776429296.db2.gz KGRUXUUMPGIVHB-PCKAHOCUSA-N 2 1 314.433 1.262 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171829 776964883 /nfs/dbraw/zinc/96/48/83/776964883.db2.gz MTXMZXBYKIEILH-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171829 776964892 /nfs/dbraw/zinc/96/48/92/776964892.db2.gz MTXMZXBYKIEILH-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171829 776964901 /nfs/dbraw/zinc/96/49/01/776964901.db2.gz MTXMZXBYKIEILH-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341449 777083907 /nfs/dbraw/zinc/08/39/07/777083907.db2.gz JHSAFBMPJDIWQZ-WBVHZDCISA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001150323972 777408519 /nfs/dbraw/zinc/40/85/19/777408519.db2.gz FIBBWXYVFDTLSL-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150323972 777408520 /nfs/dbraw/zinc/40/85/20/777408520.db2.gz FIBBWXYVFDTLSL-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001150323972 777408523 /nfs/dbraw/zinc/40/85/23/777408523.db2.gz FIBBWXYVFDTLSL-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927335 777635277 /nfs/dbraw/zinc/63/52/77/777635277.db2.gz COCAXDZDAIIVMO-ZBFHGGJFSA-N 2 1 316.449 1.652 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048621 777834108 /nfs/dbraw/zinc/83/41/08/777834108.db2.gz IUHUSIYYPOCPNZ-DJIMGWMZSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703721 777889868 /nfs/dbraw/zinc/88/98/68/777889868.db2.gz KCXHNTJYKZIYAC-OAHLLOKOSA-N 2 1 304.438 1.870 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472118 778157545 /nfs/dbraw/zinc/15/75/45/778157545.db2.gz IUMDLLNWMBMXAW-BRWVUGGUSA-N 2 1 307.482 1.670 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001177139634 778459305 /nfs/dbraw/zinc/45/93/05/778459305.db2.gz SLDBQUIYWKFWBQ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001177139634 778459308 /nfs/dbraw/zinc/45/93/08/778459308.db2.gz SLDBQUIYWKFWBQ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177139634 778459310 /nfs/dbraw/zinc/45/93/10/778459310.db2.gz SLDBQUIYWKFWBQ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177139634 778459313 /nfs/dbraw/zinc/45/93/13/778459313.db2.gz SLDBQUIYWKFWBQ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103435857 778865529 /nfs/dbraw/zinc/86/55/29/778865529.db2.gz BVBQNTGXWPSRRB-GVDBMIGSSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435857 778865539 /nfs/dbraw/zinc/86/55/39/778865539.db2.gz BVBQNTGXWPSRRB-GVDBMIGSSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435857 778865551 /nfs/dbraw/zinc/86/55/51/778865551.db2.gz BVBQNTGXWPSRRB-GVDBMIGSSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103642912 778976981 /nfs/dbraw/zinc/97/69/81/778976981.db2.gz ASALPYJNDMGPNG-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103642912 778976987 /nfs/dbraw/zinc/97/69/87/778976987.db2.gz ASALPYJNDMGPNG-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103642912 778976992 /nfs/dbraw/zinc/97/69/92/778976992.db2.gz ASALPYJNDMGPNG-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740580 779024229 /nfs/dbraw/zinc/02/42/29/779024229.db2.gz NDDLUSKUKAGQRY-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740580 779024236 /nfs/dbraw/zinc/02/42/36/779024236.db2.gz NDDLUSKUKAGQRY-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740580 779024242 /nfs/dbraw/zinc/02/42/42/779024242.db2.gz NDDLUSKUKAGQRY-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740580 779024249 /nfs/dbraw/zinc/02/42/49/779024249.db2.gz NDDLUSKUKAGQRY-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001103751689 779029421 /nfs/dbraw/zinc/02/94/21/779029421.db2.gz MJTTWBMOFJOTFO-SJLPKXTDSA-N 2 1 315.461 1.039 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111767237 779471647 /nfs/dbraw/zinc/47/16/47/779471647.db2.gz VIPWWAGTVPWUFM-UXLLHSPISA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782644 779479340 /nfs/dbraw/zinc/47/93/40/779479340.db2.gz ROXGSRZGJMQFNG-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782644 779479342 /nfs/dbraw/zinc/47/93/42/779479342.db2.gz ROXGSRZGJMQFNG-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782644 779479348 /nfs/dbraw/zinc/47/93/48/779479348.db2.gz ROXGSRZGJMQFNG-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001119596175 781530695 /nfs/dbraw/zinc/53/06/95/781530695.db2.gz KPNGGABMBGPUGH-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001119596175 781530699 /nfs/dbraw/zinc/53/06/99/781530699.db2.gz KPNGGABMBGPUGH-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001271778099 844104343 /nfs/dbraw/zinc/10/43/43/844104343.db2.gz CUPNSOPIXULDJQ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001271778099 844104349 /nfs/dbraw/zinc/10/43/49/844104349.db2.gz CUPNSOPIXULDJQ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001271778099 844104352 /nfs/dbraw/zinc/10/43/52/844104352.db2.gz CUPNSOPIXULDJQ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001266600523 836519626 /nfs/dbraw/zinc/51/96/26/836519626.db2.gz XYBGXIHTOLPSRI-UHFFFAOYSA-N 2 1 309.373 1.095 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267046916 837246917 /nfs/dbraw/zinc/24/69/17/837246917.db2.gz FUTKIJJBFFOVTF-CQSZACIVSA-N 2 1 320.437 1.754 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC#CCOC)C1 ZINC001267593273 838387985 /nfs/dbraw/zinc/38/79/85/838387985.db2.gz HBPJWJNYRMZVMJ-QGZVFWFLSA-N 2 1 323.481 1.148 20 30 DDEDMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC#CCOC)C1 ZINC001267593273 838387990 /nfs/dbraw/zinc/38/79/90/838387990.db2.gz HBPJWJNYRMZVMJ-QGZVFWFLSA-N 2 1 323.481 1.148 20 30 DDEDMP CCC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC#CCOC)C1 ZINC001267593273 838387997 /nfs/dbraw/zinc/38/79/97/838387997.db2.gz HBPJWJNYRMZVMJ-QGZVFWFLSA-N 2 1 323.481 1.148 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001272033316 844372663 /nfs/dbraw/zinc/37/26/63/844372663.db2.gz KPPLXQXKCJMHFA-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001272033316 844372669 /nfs/dbraw/zinc/37/26/69/844372669.db2.gz KPPLXQXKCJMHFA-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001272033316 844372677 /nfs/dbraw/zinc/37/26/77/844372677.db2.gz KPPLXQXKCJMHFA-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001267961547 839274942 /nfs/dbraw/zinc/27/49/42/839274942.db2.gz DYVROCIIJWRDLR-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP N#Cc1ccccc1C[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001268612820 840576825 /nfs/dbraw/zinc/57/68/25/840576825.db2.gz JBAVZHHQEBPATG-ARJAWSKDSA-N 2 1 324.428 1.416 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268630309 840604593 /nfs/dbraw/zinc/60/45/93/840604593.db2.gz IRGOHJJUDMHNCD-VOTSOKGWSA-N 2 1 314.433 1.660 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1C#N ZINC001268630309 840604599 /nfs/dbraw/zinc/60/45/99/840604599.db2.gz IRGOHJJUDMHNCD-VOTSOKGWSA-N 2 1 314.433 1.660 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001270675230 842808709 /nfs/dbraw/zinc/80/87/09/842808709.db2.gz YWZCARXSVFKMQL-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001326436010 861367616 /nfs/dbraw/zinc/36/76/16/861367616.db2.gz AVRZPLPWTKFDIH-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001326436010 861367628 /nfs/dbraw/zinc/36/76/28/861367628.db2.gz AVRZPLPWTKFDIH-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C[C@](C)(O)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC001143139687 861387894 /nfs/dbraw/zinc/38/78/94/861387894.db2.gz AGWCVINFIUXXKS-RDJZCZTQSA-N 2 1 311.470 1.188 20 30 DDEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC001326489576 861403116 /nfs/dbraw/zinc/40/31/16/861403116.db2.gz JGGYSJLUQLCFAA-DOTOQJQBSA-N 2 1 313.445 1.928 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001326557609 861446252 /nfs/dbraw/zinc/44/62/52/861446252.db2.gz CQHBJFICAVUBPW-XLAORIBOSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001271726448 843811787 /nfs/dbraw/zinc/81/17/87/843811787.db2.gz DSXQCRNPFBLNGE-ZBFHGGJFSA-N 2 1 302.422 1.432 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001409462839 845135628 /nfs/dbraw/zinc/13/56/28/845135628.db2.gz IMYGHGRMPUQSRY-NEPJUHHUSA-N 2 1 320.275 1.718 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001409738138 845647843 /nfs/dbraw/zinc/64/78/43/845647843.db2.gz CLNJTTQYRIVNGE-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001409738138 845647848 /nfs/dbraw/zinc/64/78/48/845647848.db2.gz CLNJTTQYRIVNGE-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001409738138 845647851 /nfs/dbraw/zinc/64/78/51/845647851.db2.gz CLNJTTQYRIVNGE-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC001273277647 849324626 /nfs/dbraw/zinc/32/46/26/849324626.db2.gz WOWNXEDSTZOTCU-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273487797 851019663 /nfs/dbraw/zinc/01/96/63/851019663.db2.gz QXQWLPZNKHJGQL-QGZVFWFLSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CCCC[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273541474 851075469 /nfs/dbraw/zinc/07/54/69/851075469.db2.gz BSICMBARUCPERI-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150587770 862331533 /nfs/dbraw/zinc/33/15/33/862331533.db2.gz KBXXEBFCYSKFNQ-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150587770 862331548 /nfs/dbraw/zinc/33/15/48/862331548.db2.gz KBXXEBFCYSKFNQ-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150587770 862331563 /nfs/dbraw/zinc/33/15/63/862331563.db2.gz KBXXEBFCYSKFNQ-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150760856 862454383 /nfs/dbraw/zinc/45/43/83/862454383.db2.gz CSKHMVYWPMQVQK-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCCCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001276035801 854196862 /nfs/dbraw/zinc/19/68/62/854196862.db2.gz KVFXXQZFLBJIRP-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001276300171 855221821 /nfs/dbraw/zinc/22/18/21/855221821.db2.gz PNHTZCBOCDUNMN-CVEARBPZSA-N 2 1 311.445 1.660 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732684 857650832 /nfs/dbraw/zinc/65/08/32/857650832.db2.gz UHHBMWOVHGXZPI-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732684 857650836 /nfs/dbraw/zinc/65/08/36/857650836.db2.gz UHHBMWOVHGXZPI-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732684 857650840 /nfs/dbraw/zinc/65/08/40/857650840.db2.gz UHHBMWOVHGXZPI-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907403 857871480 /nfs/dbraw/zinc/87/14/80/857871480.db2.gz HYFYMJHFWVMASP-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907403 857871483 /nfs/dbraw/zinc/87/14/83/857871483.db2.gz HYFYMJHFWVMASP-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907403 857871487 /nfs/dbraw/zinc/87/14/87/857871487.db2.gz HYFYMJHFWVMASP-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+](C)Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141573025 860889970 /nfs/dbraw/zinc/88/99/70/860889970.db2.gz JTWFADGIKIBLRR-UHFFFAOYSA-N 2 1 318.465 1.768 20 30 DDEDMP C#CC[N@H+](C)Cc1[nH]c(C)c(C(=O)NCC[NH+](CC)CC)c1C ZINC001141573025 860889980 /nfs/dbraw/zinc/88/99/80/860889980.db2.gz JTWFADGIKIBLRR-UHFFFAOYSA-N 2 1 318.465 1.768 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001328808120 863244059 /nfs/dbraw/zinc/24/40/59/863244059.db2.gz NMEGJKNZGXNMGJ-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[NH2+]CC1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001328879221 863305535 /nfs/dbraw/zinc/30/55/35/863305535.db2.gz BPKKNCFEPXLASD-UHFFFAOYSA-N 2 1 305.466 1.757 20 30 DDEDMP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329146158 863501304 /nfs/dbraw/zinc/50/13/04/863501304.db2.gz KMGOXHGGITUHCI-CABCVRRESA-N 2 1 320.437 1.104 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001157109727 863585686 /nfs/dbraw/zinc/58/56/86/863585686.db2.gz SQVDJDNBUOGLMU-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001330657541 864514283 /nfs/dbraw/zinc/51/42/83/864514283.db2.gz YUVIJYVTIONQBQ-MPGHIAIKSA-N 2 1 323.456 1.707 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001158857240 864941865 /nfs/dbraw/zinc/94/18/65/864941865.db2.gz YEJLYOZTEHXUFO-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001158857240 864941875 /nfs/dbraw/zinc/94/18/75/864941875.db2.gz YEJLYOZTEHXUFO-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001158857240 864941884 /nfs/dbraw/zinc/94/18/84/864941884.db2.gz YEJLYOZTEHXUFO-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC001331261963 864974746 /nfs/dbraw/zinc/97/47/46/864974746.db2.gz XSTGPVQYLQJUCO-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC001331261963 864974750 /nfs/dbraw/zinc/97/47/50/864974750.db2.gz XSTGPVQYLQJUCO-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001225442227 881836128 /nfs/dbraw/zinc/83/61/28/881836128.db2.gz IFOYLTCXGMCBGQ-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001332000204 865493394 /nfs/dbraw/zinc/49/33/94/865493394.db2.gz YMXBZIMNTSGJKZ-GJZGRUSLSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001160197830 865722730 /nfs/dbraw/zinc/72/27/30/865722730.db2.gz ITHVYGVSJOQUMC-SFHVURJKSA-N 2 1 324.428 1.252 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001160197830 865722735 /nfs/dbraw/zinc/72/27/35/865722735.db2.gz ITHVYGVSJOQUMC-SFHVURJKSA-N 2 1 324.428 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCCCO1 ZINC001160197969 865722775 /nfs/dbraw/zinc/72/27/75/865722775.db2.gz QCEXFHLLAARDHS-SJORKVTESA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC[C@H]1CCCCO1 ZINC001160197969 865722782 /nfs/dbraw/zinc/72/27/82/865722782.db2.gz QCEXFHLLAARDHS-SJORKVTESA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001160467243 865864667 /nfs/dbraw/zinc/86/46/67/865864667.db2.gz PFVUCDDTDASYTC-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001160467243 865864681 /nfs/dbraw/zinc/86/46/81/865864681.db2.gz PFVUCDDTDASYTC-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160467243 865864694 /nfs/dbraw/zinc/86/46/94/865864694.db2.gz PFVUCDDTDASYTC-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001160467243 865864708 /nfs/dbraw/zinc/86/47/08/865864708.db2.gz PFVUCDDTDASYTC-NVXWUHKLSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870552 866158828 /nfs/dbraw/zinc/15/88/28/866158828.db2.gz YZRZLLMVYQNJFE-CVEARBPZSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001323047466 866293564 /nfs/dbraw/zinc/29/35/64/866293564.db2.gz OPHDHHXIZCZXQT-DLBZAZTESA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161554831 866765933 /nfs/dbraw/zinc/76/59/33/866765933.db2.gz TZYSTMXOPMZUGF-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001161698757 866904255 /nfs/dbraw/zinc/90/42/55/866904255.db2.gz CWFFUHOKADLWGM-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001324797352 867530106 /nfs/dbraw/zinc/53/01/06/867530106.db2.gz GZPKCVTWGJXWLA-GOSISDBHSA-N 2 1 316.449 1.858 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001325140445 867813527 /nfs/dbraw/zinc/81/35/27/867813527.db2.gz HHIWSUIPTHLPQK-QGZVFWFLSA-N 2 1 320.437 1.101 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001325140445 867813540 /nfs/dbraw/zinc/81/35/40/867813540.db2.gz HHIWSUIPTHLPQK-QGZVFWFLSA-N 2 1 320.437 1.101 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)C#N ZINC001361717877 882222213 /nfs/dbraw/zinc/22/22/13/882222213.db2.gz NUDHEWVTKLYXHP-HNNXBMFYSA-N 2 1 308.470 1.801 20 30 DDEDMP Cc1[nH+]c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)ccc1CC#N ZINC001165346300 869532963 /nfs/dbraw/zinc/53/29/63/869532963.db2.gz PHXCGHNSSWQTST-KRWDZBQOSA-N 2 1 316.405 1.041 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC=C)CC1 ZINC001165545122 869636562 /nfs/dbraw/zinc/63/65/62/869636562.db2.gz COVWWKFGCPWQJU-KRWDZBQOSA-N 2 1 317.477 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCCC=C)CC1 ZINC001165545122 869636569 /nfs/dbraw/zinc/63/65/69/869636569.db2.gz COVWWKFGCPWQJU-KRWDZBQOSA-N 2 1 317.477 1.926 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001165568519 869641116 /nfs/dbraw/zinc/64/11/16/869641116.db2.gz JIUKPTRZLHHIGC-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCF)C1 ZINC001317045362 870160504 /nfs/dbraw/zinc/16/05/04/870160504.db2.gz QOWAQNHORQNNFZ-CVEARBPZSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCF)C1 ZINC001317045362 870160514 /nfs/dbraw/zinc/16/05/14/870160514.db2.gz QOWAQNHORQNNFZ-CVEARBPZSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCF)C1 ZINC001317045362 870160520 /nfs/dbraw/zinc/16/05/20/870160520.db2.gz QOWAQNHORQNNFZ-CVEARBPZSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCF)C1 ZINC001317045362 870160530 /nfs/dbraw/zinc/16/05/30/870160530.db2.gz QOWAQNHORQNNFZ-CVEARBPZSA-N 2 1 309.429 1.224 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317154022 870375492 /nfs/dbraw/zinc/37/54/92/870375492.db2.gz MOQUSTTVNPBMQM-INIZCTEOSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317355543 870695538 /nfs/dbraw/zinc/69/55/38/870695538.db2.gz CZEOXDWGOPARCJ-SJORKVTESA-N 2 1 321.465 1.139 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001317531187 871008123 /nfs/dbraw/zinc/00/81/23/871008123.db2.gz SBYWOMOSZWKLEI-SFHVURJKSA-N 2 1 313.445 1.428 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001340790484 871354230 /nfs/dbraw/zinc/35/42/30/871354230.db2.gz LGZMUNXIFRFNOD-MRXNPFEDSA-N 2 1 315.417 1.171 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001205479738 871575099 /nfs/dbraw/zinc/57/50/99/871575099.db2.gz VQJYPHFJIRDRPB-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(C)C)CC1 ZINC001205479738 871575108 /nfs/dbraw/zinc/57/51/08/871575108.db2.gz VQJYPHFJIRDRPB-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703442 871718959 /nfs/dbraw/zinc/71/89/59/871718959.db2.gz FKSVJYHKPKGRNP-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001318128735 871768340 /nfs/dbraw/zinc/76/83/40/871768340.db2.gz UFKQTXGQSBAXHT-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCCCF)C1 ZINC001318128735 871768356 /nfs/dbraw/zinc/76/83/56/871768356.db2.gz UFKQTXGQSBAXHT-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](CC#CCOC)C1 ZINC001318485109 872106616 /nfs/dbraw/zinc/10/66/16/872106616.db2.gz OMSBYTXOPRCSEN-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001206275513 872177261 /nfs/dbraw/zinc/17/72/61/872177261.db2.gz UYERHHPKYAGVCB-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001319534535 872677394 /nfs/dbraw/zinc/67/73/94/872677394.db2.gz PXIIRNSAAJRBLN-ZFWWWQNUSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001206980224 872878448 /nfs/dbraw/zinc/87/84/48/872878448.db2.gz LZMLMAWNOUNYMY-DJIMGWMZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210147055 875246165 /nfs/dbraw/zinc/24/61/65/875246165.db2.gz YZLHYEDMIDYETA-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214852607 876482084 /nfs/dbraw/zinc/48/20/84/876482084.db2.gz FFMDPPQABIAYDP-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024497 876543174 /nfs/dbraw/zinc/54/31/74/876543174.db2.gz MIYQZDACKOSXHP-IUODEOHRSA-N 2 1 306.410 1.362 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379553371 877377501 /nfs/dbraw/zinc/37/75/01/877377501.db2.gz QCPBHXZTZUGZBB-GJZGRUSLSA-N 2 1 314.433 1.494 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219902794 878578245 /nfs/dbraw/zinc/57/82/45/878578245.db2.gz JVRCXJCMWOETDN-KFWWJZLASA-N 2 1 311.470 1.233 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219902794 878578255 /nfs/dbraw/zinc/57/82/55/878578255.db2.gz JVRCXJCMWOETDN-KFWWJZLASA-N 2 1 311.470 1.233 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238354 878841149 /nfs/dbraw/zinc/84/11/49/878841149.db2.gz RXRKHKGMLPRVQG-CVEARBPZSA-N 2 1 313.486 1.460 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)CC[NH+](CC)CC)C1 ZINC001357836947 880218320 /nfs/dbraw/zinc/21/83/20/880218320.db2.gz KHLKGHYIMNMTQS-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CC[NH+](CC)CC)C1 ZINC001357836947 880218332 /nfs/dbraw/zinc/21/83/32/880218332.db2.gz KHLKGHYIMNMTQS-HOTGVXAUSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CC[NH+](CC)CC)C1 ZINC001357836949 880218823 /nfs/dbraw/zinc/21/88/23/880218823.db2.gz KHLKGHYIMNMTQS-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)CC[NH+](CC)CC)C1 ZINC001357836949 880218837 /nfs/dbraw/zinc/21/88/37/880218837.db2.gz KHLKGHYIMNMTQS-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001276841033 880711410 /nfs/dbraw/zinc/71/14/10/880711410.db2.gz UJSSNNHSPCMSOY-OKZBNKHCSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001276841033 880711417 /nfs/dbraw/zinc/71/14/17/880711417.db2.gz UJSSNNHSPCMSOY-OKZBNKHCSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001276841033 880711426 /nfs/dbraw/zinc/71/14/26/880711426.db2.gz UJSSNNHSPCMSOY-OKZBNKHCSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001276931028 881145986 /nfs/dbraw/zinc/14/59/86/881145986.db2.gz JRQORDPSUJJDOE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001276931028 881145992 /nfs/dbraw/zinc/14/59/92/881145992.db2.gz JRQORDPSUJJDOE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP N#CC1(C[C@@H](O)C[NH+]2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC001363839849 887360357 /nfs/dbraw/zinc/36/03/57/887360357.db2.gz VCHDUNGOPPBKIO-MRXNPFEDSA-N 2 1 307.438 1.274 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001365856174 891729655 /nfs/dbraw/zinc/72/96/55/891729655.db2.gz BBCUZFUJZKXQCG-AEGPPILISA-N 2 1 313.873 1.955 20 30 DDEDMP C=CCCCCCC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246019810 892345225 /nfs/dbraw/zinc/34/52/25/892345225.db2.gz AMBMMHOEGISLGQ-SQNIBIBYSA-N 2 1 309.498 1.900 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246156341 892450615 /nfs/dbraw/zinc/45/06/15/892450615.db2.gz JMXGTJFXHZROKS-FVQBIDKESA-N 2 1 301.434 1.622 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366272767 892978431 /nfs/dbraw/zinc/97/84/31/892978431.db2.gz UAOGPKUGCCSPKA-CZUORRHYSA-N 2 1 300.406 1.247 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001252483357 895202583 /nfs/dbraw/zinc/20/25/83/895202583.db2.gz TXZVJZJTKLPAAN-ZWKOTPCHSA-N 2 1 304.434 1.662 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001253182098 895691606 /nfs/dbraw/zinc/69/16/06/895691606.db2.gz LONSFRLUJFISSE-WMZOPIPTSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001278821116 896644599 /nfs/dbraw/zinc/64/45/99/896644599.db2.gz IKMHYTQOGLOERC-PBHICJAKSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001278821116 896644606 /nfs/dbraw/zinc/64/46/06/896644606.db2.gz IKMHYTQOGLOERC-PBHICJAKSA-N 2 1 320.437 1.099 20 30 DDEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256963749 897647451 /nfs/dbraw/zinc/64/74/51/897647451.db2.gz NUTOWSMIOMVDED-CVSAEHQPSA-N 2 1 322.453 1.995 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001264165320 900989992 /nfs/dbraw/zinc/98/99/92/900989992.db2.gz HJGAOLBPNFYNGR-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001264380806 901068858 /nfs/dbraw/zinc/06/88/58/901068858.db2.gz REKZBYCLIQCFHQ-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001391625180 902176508 /nfs/dbraw/zinc/17/65/08/902176508.db2.gz UXPPQWAKVLLOBA-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001265628451 902221530 /nfs/dbraw/zinc/22/15/30/902221530.db2.gz XHDJEGNDCCEKDT-QGZVFWFLSA-N 2 1 323.481 1.503 20 30 DDEDMP C=C(C)C[N@H+](C)CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001265923391 902600745 /nfs/dbraw/zinc/60/07/45/902600745.db2.gz PXGZDJDUQIKRLQ-UHFFFAOYSA-N 2 1 320.437 1.898 20 30 DDEDMP C=C(C)C[N@@H+](C)CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001265923391 902600749 /nfs/dbraw/zinc/60/07/49/902600749.db2.gz PXGZDJDUQIKRLQ-UHFFFAOYSA-N 2 1 320.437 1.898 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001266102661 902946134 /nfs/dbraw/zinc/94/61/34/902946134.db2.gz LZLDWQIAZVRWOB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266102661 902946149 /nfs/dbraw/zinc/94/61/49/902946149.db2.gz LZLDWQIAZVRWOB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001266102661 902946158 /nfs/dbraw/zinc/94/61/58/902946158.db2.gz LZLDWQIAZVRWOB-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[NH+]1C ZINC001392679541 904868062 /nfs/dbraw/zinc/86/80/62/904868062.db2.gz WMTHEGGPXXXUJN-SWLSCSKDSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[NH+]1C ZINC001392679541 904868075 /nfs/dbraw/zinc/86/80/75/904868075.db2.gz WMTHEGGPXXXUJN-SWLSCSKDSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392679541 904868088 /nfs/dbraw/zinc/86/80/88/904868088.db2.gz WMTHEGGPXXXUJN-SWLSCSKDSA-N 2 1 320.462 1.650 20 30 DDEDMP C[C@@H](C[NH+](C)Cc1ccc(C#N)s1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392679541 904868100 /nfs/dbraw/zinc/86/81/00/904868100.db2.gz WMTHEGGPXXXUJN-SWLSCSKDSA-N 2 1 320.462 1.650 20 30 DDEDMP CC#CCN1CC[C@H]1CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001316611474 904940862 /nfs/dbraw/zinc/94/08/62/904940862.db2.gz RXFGBOBVJURGBP-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001281672687 905148917 /nfs/dbraw/zinc/14/89/17/905148917.db2.gz BHAQGPVGJGFYEE-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001371545876 905181888 /nfs/dbraw/zinc/18/18/88/905181888.db2.gz RICITAHSDGJENQ-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001282463665 905801373 /nfs/dbraw/zinc/80/13/73/905801373.db2.gz AXHJVSHVSUCKJI-AWEZNQCLSA-N 2 1 307.442 1.071 20 30 DDEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)CCO3)CCC[C@H]12 ZINC001284045142 908377594 /nfs/dbraw/zinc/37/75/94/908377594.db2.gz MVAURLXAFNLDLX-SOLBZPMBSA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001284223226 908680473 /nfs/dbraw/zinc/68/04/73/908680473.db2.gz DPVWSRAMYNYTQR-DLBZAZTESA-N 2 1 316.449 1.870 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001394745671 910450580 /nfs/dbraw/zinc/45/05/80/910450580.db2.gz PKZPWBWCXSEAAH-ZIAGYGMSSA-N 2 1 317.861 1.022 20 30 DDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000329450497 539304619 /nfs/dbraw/zinc/30/46/19/539304619.db2.gz LUIJKQNXFRFCBE-GOEBONIOSA-N 2 1 324.469 1.084 20 30 DDEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000329450497 539304621 /nfs/dbraw/zinc/30/46/21/539304621.db2.gz LUIJKQNXFRFCBE-GOEBONIOSA-N 2 1 324.469 1.084 20 30 DDEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000329450497 539304622 /nfs/dbraw/zinc/30/46/22/539304622.db2.gz LUIJKQNXFRFCBE-GOEBONIOSA-N 2 1 324.469 1.084 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)C[C@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000341912138 529823046 /nfs/dbraw/zinc/82/30/46/529823046.db2.gz VQLARQDPQBZZPB-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@H]1O ZINC000341912138 529823049 /nfs/dbraw/zinc/82/30/49/529823049.db2.gz VQLARQDPQBZZPB-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@H]1O ZINC000341912138 529823050 /nfs/dbraw/zinc/82/30/50/529823050.db2.gz VQLARQDPQBZZPB-USTZCAOPSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072857871 353222174 /nfs/dbraw/zinc/22/21/74/353222174.db2.gz ZTMNHBHJBJLHAJ-IRXDYDNUSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072857871 353222176 /nfs/dbraw/zinc/22/21/76/353222176.db2.gz ZTMNHBHJBJLHAJ-IRXDYDNUSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072857871 353222177 /nfs/dbraw/zinc/22/21/77/353222177.db2.gz ZTMNHBHJBJLHAJ-IRXDYDNUSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000072857871 353222180 /nfs/dbraw/zinc/22/21/80/353222180.db2.gz ZTMNHBHJBJLHAJ-IRXDYDNUSA-N 2 1 317.433 1.572 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000108575861 353954614 /nfs/dbraw/zinc/95/46/14/353954614.db2.gz YSEWVJCSVIBAMX-HNNXBMFYSA-N 2 1 308.470 1.668 20 30 DDEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437734 356214174 /nfs/dbraw/zinc/21/41/74/356214174.db2.gz DVKMWXRQHJIBGV-HOTGVXAUSA-N 2 1 306.454 1.588 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900553 356697493 /nfs/dbraw/zinc/69/74/93/356697493.db2.gz GMRJBDGCCIWOKX-ZFWWWQNUSA-N 2 1 322.453 1.098 20 30 DDEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598588878 357642372 /nfs/dbraw/zinc/64/23/72/357642372.db2.gz PEMPSJSQVQDASC-IAGOWNOFSA-N 2 1 322.497 1.389 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598588878 357642378 /nfs/dbraw/zinc/64/23/78/357642378.db2.gz PEMPSJSQVQDASC-IAGOWNOFSA-N 2 1 322.497 1.389 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C2)CC1 ZINC000598594696 357645873 /nfs/dbraw/zinc/64/58/73/357645873.db2.gz HXKMMKYTYBNDEV-IAGOWNOFSA-N 2 1 322.497 1.387 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000600769846 358311617 /nfs/dbraw/zinc/31/16/17/358311617.db2.gz SSVXRQKCNDYRAB-CZUORRHYSA-N 2 1 316.405 1.231 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844310 359232284 /nfs/dbraw/zinc/23/22/84/359232284.db2.gz ADZUBAWZNKTFQU-UHFFFAOYSA-N 2 1 315.421 1.356 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844310 359232289 /nfs/dbraw/zinc/23/22/89/359232289.db2.gz ADZUBAWZNKTFQU-UHFFFAOYSA-N 2 1 315.421 1.356 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccnc(C#N)c1 ZINC000603126674 359420139 /nfs/dbraw/zinc/42/01/39/359420139.db2.gz OUJAKDWDNMQHQZ-ZDUSSCGKSA-N 2 1 318.425 1.347 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccnc(C#N)c1 ZINC000603126674 359420145 /nfs/dbraw/zinc/42/01/45/359420145.db2.gz OUJAKDWDNMQHQZ-ZDUSSCGKSA-N 2 1 318.425 1.347 20 30 DDEDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)c(F)c1 ZINC000271909407 209315203 /nfs/dbraw/zinc/31/52/03/209315203.db2.gz ADLPUJMMHNWTLJ-ZDUSSCGKSA-N 2 1 318.396 1.512 20 30 DDEDMP [O-]C(NCC1CC[NH+](C2CC2)CC1)=[NH+][C@@H]1CCn2ccnc2C1 ZINC000330236957 223092698 /nfs/dbraw/zinc/09/26/98/223092698.db2.gz HLMCYMXOMJDOJI-CQSZACIVSA-N 2 1 317.437 1.576 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424142694 286060911 /nfs/dbraw/zinc/06/09/11/286060911.db2.gz ISZSQAZOCQYPGN-PMPSAXMXSA-N 2 1 324.469 1.261 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000154169555 407988614 /nfs/dbraw/zinc/98/86/14/407988614.db2.gz IRCUVJLNHXCEMH-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000328802778 409981759 /nfs/dbraw/zinc/98/17/59/409981759.db2.gz GVQGYHFWTMYYIH-MRXNPFEDSA-N 2 1 319.453 1.769 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000350262479 409936701 /nfs/dbraw/zinc/93/67/01/409936701.db2.gz ZTGIWIOSFRZGEW-HZPDHXFCSA-N 2 1 324.469 1.180 20 30 DDEDMP C[NH+]1CCC2(CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330283138 410610746 /nfs/dbraw/zinc/61/07/46/410610746.db2.gz VYWOJQZPCHSNDK-CQSZACIVSA-N 2 1 317.437 1.672 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCSC(C)(C)C1 ZINC000261656385 222252815 /nfs/dbraw/zinc/25/28/15/222252815.db2.gz BJBADROLXIWBPW-CYBMUJFWSA-N 2 1 310.511 1.874 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)N(C)Cc1ccon1 ZINC000261860430 222260134 /nfs/dbraw/zinc/26/01/34/222260134.db2.gz ZFTKSMMUDOTDJQ-KGLIPLIRSA-N 2 1 307.442 1.945 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262740794 222291233 /nfs/dbraw/zinc/29/12/33/222291233.db2.gz DQEOLSIVRWODQR-AWEZNQCLSA-N 3 1 307.486 1.263 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262740794 222291234 /nfs/dbraw/zinc/29/12/34/222291234.db2.gz DQEOLSIVRWODQR-AWEZNQCLSA-N 3 1 307.486 1.263 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262740796 222291462 /nfs/dbraw/zinc/29/14/62/222291462.db2.gz DQEOLSIVRWODQR-CQSZACIVSA-N 3 1 307.486 1.263 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262740796 222291465 /nfs/dbraw/zinc/29/14/65/222291465.db2.gz DQEOLSIVRWODQR-CQSZACIVSA-N 3 1 307.486 1.263 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000262862782 222297836 /nfs/dbraw/zinc/29/78/36/222297836.db2.gz ZRYKPKYEPHFFML-JKSUJKDBSA-N 2 1 308.470 1.867 20 30 DDEDMP Cc1ccc(NC(=[NH2+])NCCN2CCC[N@H+](C)CC2)cc1C ZINC000264081509 222314236 /nfs/dbraw/zinc/31/42/36/222314236.db2.gz HNAXBFHLJGPLJO-UHFFFAOYSA-N 2 1 303.454 1.668 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)Nc1ccccc1 ZINC000264104432 222317895 /nfs/dbraw/zinc/31/78/95/222317895.db2.gz PCELJWSADNVVFR-AWEZNQCLSA-N 2 1 303.410 1.014 20 30 DDEDMP C=CCNC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000267419029 222384176 /nfs/dbraw/zinc/38/41/76/222384176.db2.gz JXGVMIHYOPVRJE-UHFFFAOYSA-N 2 1 305.426 1.594 20 30 DDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000368845776 418725741 /nfs/dbraw/zinc/72/57/41/418725741.db2.gz NSMWUNJRPXGMOK-CZUORRHYSA-N 2 1 323.400 1.995 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424133186 228232733 /nfs/dbraw/zinc/23/27/33/228232733.db2.gz JDZKFROXPSBMLS-HOTGVXAUSA-N 2 1 300.406 1.398 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424133180 228232923 /nfs/dbraw/zinc/23/29/23/228232923.db2.gz JDZKFROXPSBMLS-CVEARBPZSA-N 2 1 300.406 1.398 20 30 DDEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430927018 420209711 /nfs/dbraw/zinc/20/97/11/420209711.db2.gz HMDISMHYBVJULY-ZIAGYGMSSA-N 2 1 307.463 1.932 20 30 DDEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430927018 420209717 /nfs/dbraw/zinc/20/97/17/420209717.db2.gz HMDISMHYBVJULY-ZIAGYGMSSA-N 2 1 307.463 1.932 20 30 DDEDMP C=C(C)COCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634708529 422573040 /nfs/dbraw/zinc/57/30/40/422573040.db2.gz WHJCJQVQBSZEOZ-GOSISDBHSA-N 2 1 304.434 1.806 20 30 DDEDMP C=C(C)COCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708529 422573048 /nfs/dbraw/zinc/57/30/48/422573048.db2.gz WHJCJQVQBSZEOZ-GOSISDBHSA-N 2 1 304.434 1.806 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715957 422582062 /nfs/dbraw/zinc/58/20/62/422582062.db2.gz MNSHUCXHGPDTDF-FGTMMUONSA-N 2 1 302.418 1.557 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715957 422582069 /nfs/dbraw/zinc/58/20/69/422582069.db2.gz MNSHUCXHGPDTDF-FGTMMUONSA-N 2 1 302.418 1.557 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000361572643 266115587 /nfs/dbraw/zinc/11/55/87/266115587.db2.gz UZBFEWWKERRPEO-KRWDZBQOSA-N 2 1 304.438 1.829 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000349037194 266146227 /nfs/dbraw/zinc/14/62/27/266146227.db2.gz RQRYMIZAQOWSSQ-OAHLLOKOSA-N 2 1 304.438 1.999 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424147544 533933581 /nfs/dbraw/zinc/93/35/81/533933581.db2.gz ROHYPPJWYMACEO-HYVNUMGLSA-N 2 1 314.433 1.787 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980216842 696710177 /nfs/dbraw/zinc/71/01/77/696710177.db2.gz RQUTUUYIPOPWMS-ULQDDVLXSA-N 2 1 315.461 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000746212023 700011308 /nfs/dbraw/zinc/01/13/08/700011308.db2.gz JBSYOBZDLQTSCK-SZMVWBNQSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000746212023 700011310 /nfs/dbraw/zinc/01/13/10/700011310.db2.gz JBSYOBZDLQTSCK-SZMVWBNQSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746212023 700011313 /nfs/dbraw/zinc/01/13/13/700011313.db2.gz JBSYOBZDLQTSCK-SZMVWBNQSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746212023 700011315 /nfs/dbraw/zinc/01/13/15/700011315.db2.gz JBSYOBZDLQTSCK-SZMVWBNQSA-N 2 1 315.461 1.559 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974901173 695756794 /nfs/dbraw/zinc/75/67/94/695756794.db2.gz QIIGRHGVBGYOCH-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000974901173 695756796 /nfs/dbraw/zinc/75/67/96/695756796.db2.gz QIIGRHGVBGYOCH-OAHLLOKOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975099589 695794574 /nfs/dbraw/zinc/79/45/74/695794574.db2.gz GUIUTVSGUQEXMS-HNNXBMFYSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000975099589 695794577 /nfs/dbraw/zinc/79/45/77/695794577.db2.gz GUIUTVSGUQEXMS-HNNXBMFYSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC000978285010 696358231 /nfs/dbraw/zinc/35/82/31/696358231.db2.gz URYSWYMMSFXQPW-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC000978285010 696358234 /nfs/dbraw/zinc/35/82/34/696358234.db2.gz URYSWYMMSFXQPW-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC(C)C)C[C@H]21 ZINC000978285010 696358235 /nfs/dbraw/zinc/35/82/35/696358235.db2.gz URYSWYMMSFXQPW-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC(C)C)C[C@H]21 ZINC000978285010 696358238 /nfs/dbraw/zinc/35/82/38/696358238.db2.gz URYSWYMMSFXQPW-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000126013873 696758251 /nfs/dbraw/zinc/75/82/51/696758251.db2.gz PVZYEQWECFHTOH-INIZCTEOSA-N 2 1 309.502 1.451 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308233 697089928 /nfs/dbraw/zinc/08/99/28/697089928.db2.gz UGLOPJLHWSMFFA-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308233 697089930 /nfs/dbraw/zinc/08/99/30/697089930.db2.gz UGLOPJLHWSMFFA-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308233 697089933 /nfs/dbraw/zinc/08/99/33/697089933.db2.gz UGLOPJLHWSMFFA-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982821860 697182133 /nfs/dbraw/zinc/18/21/33/697182133.db2.gz VFZLANFDHBSZBE-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982821860 697182134 /nfs/dbraw/zinc/18/21/34/697182134.db2.gz VFZLANFDHBSZBE-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982821860 697182135 /nfs/dbraw/zinc/18/21/35/697182135.db2.gz VFZLANFDHBSZBE-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982821860 697182136 /nfs/dbraw/zinc/18/21/36/697182136.db2.gz VFZLANFDHBSZBE-RYQLBKOJSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000985435493 697510921 /nfs/dbraw/zinc/51/09/21/697510921.db2.gz MOVQHNXRXOOYMO-UHFFFAOYSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000991071645 699221776 /nfs/dbraw/zinc/22/17/76/699221776.db2.gz ZCWKWZURRNUAHB-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991071645 699221779 /nfs/dbraw/zinc/22/17/79/699221779.db2.gz ZCWKWZURRNUAHB-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000991071645 699221781 /nfs/dbraw/zinc/22/17/81/699221781.db2.gz ZCWKWZURRNUAHB-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355457 699305006 /nfs/dbraw/zinc/30/50/06/699305006.db2.gz BKKXFNZHHQJQOR-KONPQCLYSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355457 699305009 /nfs/dbraw/zinc/30/50/09/699305009.db2.gz BKKXFNZHHQJQOR-KONPQCLYSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355457 699305015 /nfs/dbraw/zinc/30/50/15/699305015.db2.gz BKKXFNZHHQJQOR-KONPQCLYSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991355457 699305017 /nfs/dbraw/zinc/30/50/17/699305017.db2.gz BKKXFNZHHQJQOR-KONPQCLYSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000868653327 702247679 /nfs/dbraw/zinc/24/76/79/702247679.db2.gz RWULUAUKLHYWOM-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C#N)c(F)c1 ZINC000849037985 703613788 /nfs/dbraw/zinc/61/37/88/703613788.db2.gz DTZQYCPXRRWGNP-CQSZACIVSA-N 2 1 303.385 1.796 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000852359762 704023747 /nfs/dbraw/zinc/02/37/47/704023747.db2.gz MMGHCGNWZJPIAU-INIZCTEOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000852359762 704023751 /nfs/dbraw/zinc/02/37/51/704023751.db2.gz MMGHCGNWZJPIAU-INIZCTEOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000852359762 704023756 /nfs/dbraw/zinc/02/37/56/704023756.db2.gz MMGHCGNWZJPIAU-INIZCTEOSA-N 2 1 320.481 1.648 20 30 DDEDMP C=CC[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000853536067 704262495 /nfs/dbraw/zinc/26/24/95/704262495.db2.gz KMXBGYYNDDBHMI-CQSZACIVSA-N 2 1 320.437 1.248 20 30 DDEDMP C[NH+](C)CCCNC(=S)N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834957836 707152865 /nfs/dbraw/zinc/15/28/65/707152865.db2.gz TZPNPEFWTNMCII-UHFFFAOYSA-N 2 1 319.478 1.725 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H](C)C[N@@H+](C)CCCC)C1 ZINC000884358078 708261379 /nfs/dbraw/zinc/26/13/79/708261379.db2.gz LBUADUDESMWFCA-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H](C)C[N@H+](C)CCCC)C1 ZINC000884358078 708261382 /nfs/dbraw/zinc/26/13/82/708261382.db2.gz LBUADUDESMWFCA-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+](C)CCCC)C1 ZINC000884358078 708261383 /nfs/dbraw/zinc/26/13/83/708261383.db2.gz LBUADUDESMWFCA-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+](C)CCCC)C1 ZINC000884358078 708261385 /nfs/dbraw/zinc/26/13/85/708261385.db2.gz LBUADUDESMWFCA-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP CC(C)C[N@@H+](C)CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884380711 708271560 /nfs/dbraw/zinc/27/15/60/708271560.db2.gz KTEQRUTVWQSJQE-ISXOHVOVSA-N 2 1 306.454 1.220 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000890368877 709842076 /nfs/dbraw/zinc/84/20/76/709842076.db2.gz NUBFMKOMFJNLGD-ULQDDVLXSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000890368877 709842082 /nfs/dbraw/zinc/84/20/82/709842082.db2.gz NUBFMKOMFJNLGD-ULQDDVLXSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000890368877 709842087 /nfs/dbraw/zinc/84/20/87/709842087.db2.gz NUBFMKOMFJNLGD-ULQDDVLXSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000890368877 709842092 /nfs/dbraw/zinc/84/20/92/709842092.db2.gz NUBFMKOMFJNLGD-ULQDDVLXSA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000890371458 709843672 /nfs/dbraw/zinc/84/36/72/709843672.db2.gz VVAQXMKVDWVPCC-IRXDYDNUSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000890371458 709843676 /nfs/dbraw/zinc/84/36/76/709843676.db2.gz VVAQXMKVDWVPCC-IRXDYDNUSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000890371458 709843679 /nfs/dbraw/zinc/84/36/79/709843679.db2.gz VVAQXMKVDWVPCC-IRXDYDNUSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000890371458 709843683 /nfs/dbraw/zinc/84/36/83/709843683.db2.gz VVAQXMKVDWVPCC-IRXDYDNUSA-N 2 1 320.481 1.600 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000892852210 710512971 /nfs/dbraw/zinc/51/29/71/710512971.db2.gz XLODYFKYKFXDOM-HOCLYGCPSA-N 2 1 306.454 1.372 20 30 DDEDMP C=C(C)C[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905455578 712042437 /nfs/dbraw/zinc/04/24/37/712042437.db2.gz ZLWZXEIRDZDRPF-QZTJIDSGSA-N 2 1 304.434 1.540 20 30 DDEDMP C=C(C)C[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905455578 712042439 /nfs/dbraw/zinc/04/24/39/712042439.db2.gz ZLWZXEIRDZDRPF-QZTJIDSGSA-N 2 1 304.434 1.540 20 30 DDEDMP C#CCN1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000905461270 712043759 /nfs/dbraw/zinc/04/37/59/712043759.db2.gz PNTYFEIOVZFFBI-MOPGFXCFSA-N 2 1 315.461 1.167 20 30 DDEDMP C#CCN1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000905461270 712043762 /nfs/dbraw/zinc/04/37/62/712043762.db2.gz PNTYFEIOVZFFBI-MOPGFXCFSA-N 2 1 315.461 1.167 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)C[C@H]1CC[NH3+] ZINC000923430289 714353682 /nfs/dbraw/zinc/35/36/82/714353682.db2.gz DPELBDCFVJTWBZ-BMFZPTHFSA-N 2 1 303.406 1.215 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000957527795 715941760 /nfs/dbraw/zinc/94/17/60/715941760.db2.gz YWFFQZICIWXGFV-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000957527795 715941765 /nfs/dbraw/zinc/94/17/65/715941765.db2.gz YWFFQZICIWXGFV-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000959852029 716319780 /nfs/dbraw/zinc/31/97/80/716319780.db2.gz UUVRIXASXAKOSZ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959852029 716319785 /nfs/dbraw/zinc/31/97/85/716319785.db2.gz UUVRIXASXAKOSZ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959852029 716319788 /nfs/dbraw/zinc/31/97/88/716319788.db2.gz UUVRIXASXAKOSZ-TWMKSMIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842439 716986479 /nfs/dbraw/zinc/98/64/79/716986479.db2.gz GUZBVRFGZNBKNT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842439 716986481 /nfs/dbraw/zinc/98/64/81/716986481.db2.gz GUZBVRFGZNBKNT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842439 716986483 /nfs/dbraw/zinc/98/64/83/716986483.db2.gz GUZBVRFGZNBKNT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000940857672 716996583 /nfs/dbraw/zinc/99/65/83/716996583.db2.gz ASKHUYIRRLXYPD-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857672 716996588 /nfs/dbraw/zinc/99/65/88/716996588.db2.gz ASKHUYIRRLXYPD-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857672 716996593 /nfs/dbraw/zinc/99/65/93/716996593.db2.gz ASKHUYIRRLXYPD-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167134 717120272 /nfs/dbraw/zinc/12/02/72/717120272.db2.gz RTRORFNJAYVXNE-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961954175 717259831 /nfs/dbraw/zinc/25/98/31/717259831.db2.gz DJRGQIGTBFCDBP-NCOADZHNSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC=C)C[C@H]2C)CC1 ZINC000945178754 718415297 /nfs/dbraw/zinc/41/52/97/718415297.db2.gz GVZKILAFQRFZTQ-AEFFLSMTSA-N 2 1 317.477 1.734 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946517523 718814381 /nfs/dbraw/zinc/81/43/81/718814381.db2.gz ICYKGBDJMPCDOS-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517523 718814388 /nfs/dbraw/zinc/81/43/88/718814388.db2.gz ICYKGBDJMPCDOS-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517523 718814394 /nfs/dbraw/zinc/81/43/94/718814394.db2.gz ICYKGBDJMPCDOS-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758983 718900231 /nfs/dbraw/zinc/90/02/31/718900231.db2.gz ZLKWPWJPDRZVEK-HDICACEKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947939469 719312896 /nfs/dbraw/zinc/31/28/96/719312896.db2.gz IHYLCJSAIXLKCP-ZIAGYGMSSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673572 719636161 /nfs/dbraw/zinc/63/61/61/719636161.db2.gz CFNIZGGLLUSAJZ-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498683 736365478 /nfs/dbraw/zinc/36/54/78/736365478.db2.gz LOAHRFARQYDZDE-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007498683 736365483 /nfs/dbraw/zinc/36/54/83/736365483.db2.gz LOAHRFARQYDZDE-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007498683 736365486 /nfs/dbraw/zinc/36/54/86/736365486.db2.gz LOAHRFARQYDZDE-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007498683 736365488 /nfs/dbraw/zinc/36/54/88/736365488.db2.gz LOAHRFARQYDZDE-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577677 738425814 /nfs/dbraw/zinc/42/58/14/738425814.db2.gz QMMKJGHFKYPCSO-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577677 738425816 /nfs/dbraw/zinc/42/58/16/738425816.db2.gz QMMKJGHFKYPCSO-HOTGVXAUSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021663278 733416435 /nfs/dbraw/zinc/41/64/35/733416435.db2.gz BKFVECDWDGKNHA-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718411 733481862 /nfs/dbraw/zinc/48/18/62/733481862.db2.gz XGZLMOJJPVVHCZ-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718302 733482292 /nfs/dbraw/zinc/48/22/92/733482292.db2.gz WPMAXRBBANVPJT-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930884 738827241 /nfs/dbraw/zinc/82/72/41/738827241.db2.gz WCPPSZSACMPNGS-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027930884 738827246 /nfs/dbraw/zinc/82/72/46/738827246.db2.gz WCPPSZSACMPNGS-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001039460461 734534072 /nfs/dbraw/zinc/53/40/72/734534072.db2.gz QYCBNJKUAIPHGB-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460461 734534076 /nfs/dbraw/zinc/53/40/76/734534076.db2.gz QYCBNJKUAIPHGB-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001039460461 734534079 /nfs/dbraw/zinc/53/40/79/734534079.db2.gz QYCBNJKUAIPHGB-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001027930535 738828490 /nfs/dbraw/zinc/82/84/90/738828490.db2.gz RAXYMIVJSNQJOX-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027930535 738828492 /nfs/dbraw/zinc/82/84/92/738828492.db2.gz RAXYMIVJSNQJOX-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027930535 738828496 /nfs/dbraw/zinc/82/84/96/738828496.db2.gz RAXYMIVJSNQJOX-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121254791 782426810 /nfs/dbraw/zinc/42/68/10/782426810.db2.gz BKUWCGSTTFPWIE-HVEGKCCWSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001121261103 782429216 /nfs/dbraw/zinc/42/92/16/782429216.db2.gz ORVABZJQLBHPMM-RFSHTEQGSA-N 2 1 317.477 1.901 20 30 DDEDMP N#Cc1ccccc1CNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001167632939 734861966 /nfs/dbraw/zinc/86/19/66/734861966.db2.gz FWBYBRIYSRGHGJ-UHFFFAOYSA-N 2 1 308.389 1.888 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436627 735816799 /nfs/dbraw/zinc/81/67/99/735816799.db2.gz GBOMEXPMWNCDTC-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436627 735816803 /nfs/dbraw/zinc/81/68/03/735816803.db2.gz GBOMEXPMWNCDTC-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436627 735816806 /nfs/dbraw/zinc/81/68/06/735816806.db2.gz GBOMEXPMWNCDTC-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436627 735816810 /nfs/dbraw/zinc/81/68/10/735816810.db2.gz GBOMEXPMWNCDTC-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024619870 735987717 /nfs/dbraw/zinc/98/77/17/735987717.db2.gz GLSWLNXFOPKBGI-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619870 735987719 /nfs/dbraw/zinc/98/77/19/735987719.db2.gz GLSWLNXFOPKBGI-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619870 735987722 /nfs/dbraw/zinc/98/77/22/735987722.db2.gz GLSWLNXFOPKBGI-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001024691745 736024738 /nfs/dbraw/zinc/02/47/38/736024738.db2.gz BHUMCOQBKIAHEH-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001024691745 736024741 /nfs/dbraw/zinc/02/47/41/736024741.db2.gz BHUMCOQBKIAHEH-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691745 736024744 /nfs/dbraw/zinc/02/47/44/736024744.db2.gz BHUMCOQBKIAHEH-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001024691745 736024747 /nfs/dbraw/zinc/02/47/47/736024747.db2.gz BHUMCOQBKIAHEH-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001024701732 736031999 /nfs/dbraw/zinc/03/19/99/736031999.db2.gz JFNZQPIGMPCURF-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@H]21 ZINC001087312753 736048801 /nfs/dbraw/zinc/04/88/01/736048801.db2.gz JTVGUMWCFRVGCN-PMPSAXMXSA-N 2 1 317.477 1.873 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001007622023 736511646 /nfs/dbraw/zinc/51/16/46/736511646.db2.gz BGTGOTGIUMSRNY-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001007622023 736511648 /nfs/dbraw/zinc/51/16/48/736511648.db2.gz BGTGOTGIUMSRNY-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007622023 736511649 /nfs/dbraw/zinc/51/16/49/736511649.db2.gz BGTGOTGIUMSRNY-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001007622023 736511651 /nfs/dbraw/zinc/51/16/51/736511651.db2.gz BGTGOTGIUMSRNY-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008054265 737368057 /nfs/dbraw/zinc/36/80/57/737368057.db2.gz XZULGIOIAFFNCP-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008054265 737368060 /nfs/dbraw/zinc/36/80/60/737368060.db2.gz XZULGIOIAFFNCP-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001026368054 737429220 /nfs/dbraw/zinc/42/92/20/737429220.db2.gz MSPFPIPEBMACGH-ARFHVFGLSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541618 738389140 /nfs/dbraw/zinc/38/91/40/738389140.db2.gz WDMKPGIDLLIVNS-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541618 738389143 /nfs/dbraw/zinc/38/91/43/738389143.db2.gz WDMKPGIDLLIVNS-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541618 738389150 /nfs/dbraw/zinc/38/91/50/738389150.db2.gz WDMKPGIDLLIVNS-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137074 739081380 /nfs/dbraw/zinc/08/13/80/739081380.db2.gz DEIHHLDPOTZCCH-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137074 739081383 /nfs/dbraw/zinc/08/13/83/739081383.db2.gz DEIHHLDPOTZCCH-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(=C)C)C1 ZINC001028602206 739779913 /nfs/dbraw/zinc/77/99/13/739779913.db2.gz ZTGMYTBLXJSTHM-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001028602206 739779914 /nfs/dbraw/zinc/77/99/14/739779914.db2.gz ZTGMYTBLXJSTHM-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCC(=C)C)C1 ZINC001028602206 739779915 /nfs/dbraw/zinc/77/99/15/739779915.db2.gz ZTGMYTBLXJSTHM-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(=C)C)C1 ZINC001028602206 739779916 /nfs/dbraw/zinc/77/99/16/739779916.db2.gz ZTGMYTBLXJSTHM-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCC(=C)C)C1 ZINC001028602206 739779917 /nfs/dbraw/zinc/77/99/17/739779917.db2.gz ZTGMYTBLXJSTHM-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845106 740104882 /nfs/dbraw/zinc/10/48/82/740104882.db2.gz GFLKCFHRAGZXBR-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845106 740104883 /nfs/dbraw/zinc/10/48/83/740104883.db2.gz GFLKCFHRAGZXBR-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845106 740104884 /nfs/dbraw/zinc/10/48/84/740104884.db2.gz GFLKCFHRAGZXBR-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798695 740551113 /nfs/dbraw/zinc/55/11/13/740551113.db2.gz KYSAZSJDYMXDSO-YESZJQIVSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105396854 740683002 /nfs/dbraw/zinc/68/30/02/740683002.db2.gz XRBYFZWOCQHMEY-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630289 740683925 /nfs/dbraw/zinc/68/39/25/740683925.db2.gz CBEONYLQKSYDEW-HRCADAONSA-N 2 1 314.433 1.438 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082139 741008193 /nfs/dbraw/zinc/00/81/93/741008193.db2.gz XUPMTDHNHYUPPJ-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082139 741008198 /nfs/dbraw/zinc/00/81/98/741008198.db2.gz XUPMTDHNHYUPPJ-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082139 741008202 /nfs/dbraw/zinc/00/82/02/741008202.db2.gz XUPMTDHNHYUPPJ-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106492 741034885 /nfs/dbraw/zinc/03/48/85/741034885.db2.gz DCSIXQNMGLGCAR-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106492 741034890 /nfs/dbraw/zinc/03/48/90/741034890.db2.gz DCSIXQNMGLGCAR-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001088106492 741034893 /nfs/dbraw/zinc/03/48/93/741034893.db2.gz DCSIXQNMGLGCAR-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2C1 ZINC001088187458 741100470 /nfs/dbraw/zinc/10/04/70/741100470.db2.gz ZCKAFQRMMOMQSD-CVEARBPZSA-N 2 1 316.449 1.709 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001088428841 741488173 /nfs/dbraw/zinc/48/81/73/741488173.db2.gz DBPXHEZDEZIIQB-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001088428841 741488174 /nfs/dbraw/zinc/48/81/74/741488174.db2.gz DBPXHEZDEZIIQB-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001088430080 741488676 /nfs/dbraw/zinc/48/86/76/741488676.db2.gz HGWMYSHHKGZZTN-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168240482 741837664 /nfs/dbraw/zinc/83/76/64/741837664.db2.gz LSTCFNRTYBYHPG-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168240482 741837667 /nfs/dbraw/zinc/83/76/67/741837667.db2.gz LSTCFNRTYBYHPG-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088824113 742464847 /nfs/dbraw/zinc/46/48/47/742464847.db2.gz QKXYKWKKJGAKQU-UNEWFSDZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088824113 742464849 /nfs/dbraw/zinc/46/48/49/742464849.db2.gz QKXYKWKKJGAKQU-UNEWFSDZSA-N 2 1 316.449 1.909 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001002804502 743443817 /nfs/dbraw/zinc/44/38/17/743443817.db2.gz CRLQZGYUWGUJOP-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623364 743674214 /nfs/dbraw/zinc/67/42/14/743674214.db2.gz KRNNTWMDJKAKHV-CRAIPNDOSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)CCC=C)C1 ZINC001183353904 743821709 /nfs/dbraw/zinc/82/17/09/743821709.db2.gz GOGBVOWKPPRDNZ-ZACQAIPSSA-N 2 1 303.450 1.629 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)CCC=C)C1 ZINC001183353904 743821714 /nfs/dbraw/zinc/82/17/14/743821714.db2.gz GOGBVOWKPPRDNZ-ZACQAIPSSA-N 2 1 303.450 1.629 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C12CCC2 ZINC001203577340 743916455 /nfs/dbraw/zinc/91/64/55/743916455.db2.gz PNPAEOFONMMMPG-CVEARBPZSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035797176 751885619 /nfs/dbraw/zinc/88/56/19/751885619.db2.gz FBSPTBAPIJAFNH-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185548181 744245110 /nfs/dbraw/zinc/24/51/10/744245110.db2.gz KQKLFPGMIQHSLV-IRXDYDNUSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](CC#C)CC3)CCC[C@@H]12 ZINC000992503033 744923627 /nfs/dbraw/zinc/92/36/27/744923627.db2.gz CSFLAXGKBUOGBL-IEBWSBKVSA-N 2 1 313.445 1.078 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190167701 745136839 /nfs/dbraw/zinc/13/68/39/745136839.db2.gz HTEJVWCBXBSXPK-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC000992862240 745249505 /nfs/dbraw/zinc/24/95/05/745249505.db2.gz RZFIFZBYWUVEMD-IXDOHACOSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190656521 745286667 /nfs/dbraw/zinc/28/66/67/745286667.db2.gz UNVJVNRTDSKHKY-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190656521 745286669 /nfs/dbraw/zinc/28/66/69/745286669.db2.gz UNVJVNRTDSKHKY-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCF)[C@H](C)C1 ZINC001106266591 745493986 /nfs/dbraw/zinc/49/39/86/745493986.db2.gz SBAGQZMRHAQDCG-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCF)[C@H](C)C1 ZINC001106266591 745493989 /nfs/dbraw/zinc/49/39/89/745493989.db2.gz SBAGQZMRHAQDCG-OAGGEKHMSA-N 2 1 309.429 1.128 20 30 DDEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191950928 745655279 /nfs/dbraw/zinc/65/52/79/745655279.db2.gz WDWDOZLOKMJKPB-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191950928 745655280 /nfs/dbraw/zinc/65/52/80/745655280.db2.gz WDWDOZLOKMJKPB-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950928 745655282 /nfs/dbraw/zinc/65/52/82/745655282.db2.gz WDWDOZLOKMJKPB-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950928 745655288 /nfs/dbraw/zinc/65/52/88/745655288.db2.gz WDWDOZLOKMJKPB-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192354411 745764250 /nfs/dbraw/zinc/76/42/50/745764250.db2.gz LISZGLFALWBWAM-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192354411 745764257 /nfs/dbraw/zinc/76/42/57/745764257.db2.gz LISZGLFALWBWAM-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192354411 745764260 /nfs/dbraw/zinc/76/42/60/745764260.db2.gz LISZGLFALWBWAM-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192406853 745787401 /nfs/dbraw/zinc/78/74/01/745787401.db2.gz NTGMGNBAQCHRLN-SFHVURJKSA-N 2 1 315.461 1.880 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406853 745787404 /nfs/dbraw/zinc/78/74/04/745787404.db2.gz NTGMGNBAQCHRLN-SFHVURJKSA-N 2 1 315.461 1.880 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406853 745787407 /nfs/dbraw/zinc/78/74/07/745787407.db2.gz NTGMGNBAQCHRLN-SFHVURJKSA-N 2 1 315.461 1.880 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352897 746100215 /nfs/dbraw/zinc/10/02/15/746100215.db2.gz WQZPSGBLPPHHBQ-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352897 746100217 /nfs/dbraw/zinc/10/02/17/746100217.db2.gz WQZPSGBLPPHHBQ-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352897 746100219 /nfs/dbraw/zinc/10/02/19/746100219.db2.gz WQZPSGBLPPHHBQ-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352897 746100220 /nfs/dbraw/zinc/10/02/20/746100220.db2.gz WQZPSGBLPPHHBQ-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC000993525582 746196793 /nfs/dbraw/zinc/19/67/93/746196793.db2.gz FIIWJNNGZFYZFI-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194028282 746256880 /nfs/dbraw/zinc/25/68/80/746256880.db2.gz XAAHNKMADRLZBO-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001195214842 746550930 /nfs/dbraw/zinc/55/09/30/746550930.db2.gz NRHMOBOJTNTAML-BZUAXINKSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106881792 746559386 /nfs/dbraw/zinc/55/93/86/746559386.db2.gz KBLITAHBFCRPSK-VHDGCEQUSA-N 2 1 313.873 1.765 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994273906 746559969 /nfs/dbraw/zinc/55/99/69/746559969.db2.gz ZWNGLQGTZLUTGE-HOCLYGCPSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994273906 746559972 /nfs/dbraw/zinc/55/99/72/746559972.db2.gz ZWNGLQGTZLUTGE-HOCLYGCPSA-N 2 1 314.433 1.754 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001196163612 746790886 /nfs/dbraw/zinc/79/08/86/746790886.db2.gz PWADSKUBQICRII-INIZCTEOSA-N 2 1 309.454 1.064 20 30 DDEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853572 746917236 /nfs/dbraw/zinc/91/72/36/746917236.db2.gz STJIXNIKZOQTQN-IYBDPMFKSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(C)C)CC1 ZINC001003056743 746946248 /nfs/dbraw/zinc/94/62/48/746946248.db2.gz RLQWDQXFTJLKEJ-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC(C)C)CC1 ZINC001003056743 746946252 /nfs/dbraw/zinc/94/62/52/746946252.db2.gz RLQWDQXFTJLKEJ-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089538733 747178208 /nfs/dbraw/zinc/17/82/08/747178208.db2.gz DQZKKRNPPFIZPZ-MRXNPFEDSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001036099488 752195808 /nfs/dbraw/zinc/19/58/08/752195808.db2.gz ZBQMQDSFCACJRZ-OCCSQVGLSA-N 2 1 306.410 1.362 20 30 DDEDMP C=CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031730735 747588563 /nfs/dbraw/zinc/58/85/63/747588563.db2.gz WUPRBWDFGBIQHM-QGZVFWFLSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198886056 747645615 /nfs/dbraw/zinc/64/56/15/747645615.db2.gz XYXGBJMGIZPFAI-OAHLLOKOSA-N 2 1 303.406 1.027 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720897 748327987 /nfs/dbraw/zinc/32/79/87/748327987.db2.gz DYLUVKUMQDOUFD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001201400612 748498376 /nfs/dbraw/zinc/49/83/76/748498376.db2.gz SRDNXNRJANPQPG-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144972 748559953 /nfs/dbraw/zinc/55/99/53/748559953.db2.gz DBYQGNGOXIGUSV-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033144972 748559959 /nfs/dbraw/zinc/55/99/59/748559959.db2.gz DBYQGNGOXIGUSV-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033144972 748559963 /nfs/dbraw/zinc/55/99/63/748559963.db2.gz DBYQGNGOXIGUSV-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033144972 748559972 /nfs/dbraw/zinc/55/99/72/748559972.db2.gz DBYQGNGOXIGUSV-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001036219547 752296559 /nfs/dbraw/zinc/29/65/59/752296559.db2.gz QVUZGOYKUFQFLZ-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001114368354 749116258 /nfs/dbraw/zinc/11/62/58/749116258.db2.gz KJMSTKKCSREUNY-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114368354 749116261 /nfs/dbraw/zinc/11/62/61/749116261.db2.gz KJMSTKKCSREUNY-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001114368354 749116264 /nfs/dbraw/zinc/11/62/64/749116264.db2.gz KJMSTKKCSREUNY-VVLHAWIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366140 749255298 /nfs/dbraw/zinc/25/52/98/749255298.db2.gz NSPFYYZPQNHTQX-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366140 749255301 /nfs/dbraw/zinc/25/53/01/749255301.db2.gz NSPFYYZPQNHTQX-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191164 749410504 /nfs/dbraw/zinc/41/05/04/749410504.db2.gz UXIHOWASXIMBEN-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191164 749410510 /nfs/dbraw/zinc/41/05/10/749410510.db2.gz UXIHOWASXIMBEN-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996302132 749497958 /nfs/dbraw/zinc/49/79/58/749497958.db2.gz WDNGBRXJLJGLPS-OCCSQVGLSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108343363 761958360 /nfs/dbraw/zinc/95/83/60/761958360.db2.gz POAYAEQOLUQOFR-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343363 761958366 /nfs/dbraw/zinc/95/83/66/761958366.db2.gz POAYAEQOLUQOFR-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343363 761958371 /nfs/dbraw/zinc/95/83/71/761958371.db2.gz POAYAEQOLUQOFR-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571193 749568505 /nfs/dbraw/zinc/56/85/05/749568505.db2.gz LTOUHVJCYTWEHH-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039377086 761977560 /nfs/dbraw/zinc/97/75/60/761977560.db2.gz CTAINZGAKYAGRO-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377086 761977562 /nfs/dbraw/zinc/97/75/62/761977562.db2.gz CTAINZGAKYAGRO-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377086 761977565 /nfs/dbraw/zinc/97/75/65/761977565.db2.gz CTAINZGAKYAGRO-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001039386553 761986826 /nfs/dbraw/zinc/98/68/26/761986826.db2.gz SJTNGDHYAAMHFO-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424093 749885535 /nfs/dbraw/zinc/88/55/35/749885535.db2.gz FMVNKSVNJUQWQV-NCOADZHNSA-N 2 1 303.450 1.626 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397616 761997045 /nfs/dbraw/zinc/99/70/45/761997045.db2.gz QLDLLOVDPPOIBS-WBVHZDCISA-N 2 1 322.412 1.955 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1C ZINC001039397616 761997048 /nfs/dbraw/zinc/99/70/48/761997048.db2.gz QLDLLOVDPPOIBS-WBVHZDCISA-N 2 1 322.412 1.955 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856678 749995507 /nfs/dbraw/zinc/99/55/07/749995507.db2.gz VEFDROCLDTYYIB-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856678 749995515 /nfs/dbraw/zinc/99/55/15/749995515.db2.gz VEFDROCLDTYYIB-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856678 749995523 /nfs/dbraw/zinc/99/55/23/749995523.db2.gz VEFDROCLDTYYIB-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033869730 750028765 /nfs/dbraw/zinc/02/87/65/750028765.db2.gz VLKZLHUDNNVHBA-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033869730 750028772 /nfs/dbraw/zinc/02/87/72/750028772.db2.gz VLKZLHUDNNVHBA-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033869730 750028783 /nfs/dbraw/zinc/02/87/83/750028783.db2.gz VLKZLHUDNNVHBA-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033869730 750028790 /nfs/dbraw/zinc/02/87/90/750028790.db2.gz VLKZLHUDNNVHBA-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2[nH]cnc2C)C1 ZINC001089896422 750158569 /nfs/dbraw/zinc/15/85/69/750158569.db2.gz MOZKPNLDGXWMAC-JKQORVJESA-N 2 1 314.433 1.615 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC#CC)C2)CC1 ZINC001034045511 750312569 /nfs/dbraw/zinc/31/25/69/750312569.db2.gz KCCQYEAGSLWJPJ-SFHVURJKSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001034712401 750747914 /nfs/dbraw/zinc/74/79/14/750747914.db2.gz WIOYUKIEIXITHP-ULQDDVLXSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(CC)CC ZINC001032454023 750881157 /nfs/dbraw/zinc/88/11/57/750881157.db2.gz ZXAZTWYBPFHUQZ-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001032454023 750881166 /nfs/dbraw/zinc/88/11/66/750881166.db2.gz ZXAZTWYBPFHUQZ-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(CC)CC ZINC001032454023 750881176 /nfs/dbraw/zinc/88/11/76/750881176.db2.gz ZXAZTWYBPFHUQZ-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC(CC)CC ZINC001032454023 750881185 /nfs/dbraw/zinc/88/11/85/750881185.db2.gz ZXAZTWYBPFHUQZ-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032488498 751035905 /nfs/dbraw/zinc/03/59/05/751035905.db2.gz JFFIZROCJRJKLX-IRXDYDNUSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997614647 751156905 /nfs/dbraw/zinc/15/69/05/751156905.db2.gz UYZUOKXOQXDJIS-WMZOPIPTSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001035198043 751280711 /nfs/dbraw/zinc/28/07/11/751280711.db2.gz AZRMRSVPAWUOIO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198043 751280716 /nfs/dbraw/zinc/28/07/16/751280716.db2.gz AZRMRSVPAWUOIO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001035198043 751280722 /nfs/dbraw/zinc/28/07/22/751280722.db2.gz AZRMRSVPAWUOIO-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108417692 762112135 /nfs/dbraw/zinc/11/21/35/762112135.db2.gz FOWLZNONVZASIG-SFHVURJKSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108417692 762112136 /nfs/dbraw/zinc/11/21/36/762112136.db2.gz FOWLZNONVZASIG-SFHVURJKSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008054500 752523139 /nfs/dbraw/zinc/52/31/39/752523139.db2.gz ZPWXMTZXQLUKPN-QGZVFWFLSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001008054500 752523146 /nfs/dbraw/zinc/52/31/46/752523146.db2.gz ZPWXMTZXQLUKPN-QGZVFWFLSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090263220 753248321 /nfs/dbraw/zinc/24/83/21/753248321.db2.gz VRUPUUFJEURBJA-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(=C)C)C2)CC1 ZINC001009629733 753288317 /nfs/dbraw/zinc/28/83/17/753288317.db2.gz VCBOGLOSRBLAAB-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001108007218 753494280 /nfs/dbraw/zinc/49/42/80/753494280.db2.gz PJXKGJIMVLEBGS-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007218 753494284 /nfs/dbraw/zinc/49/42/84/753494284.db2.gz PJXKGJIMVLEBGS-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001108007218 753494289 /nfs/dbraw/zinc/49/42/89/753494289.db2.gz PJXKGJIMVLEBGS-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023068 753568550 /nfs/dbraw/zinc/56/85/50/753568550.db2.gz RTZAXZOHKQQZNO-NVXWUHKLSA-N 2 1 311.470 1.500 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001010368752 753820084 /nfs/dbraw/zinc/82/00/84/753820084.db2.gz GYBNPYYBVMBDEC-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001010368752 753820092 /nfs/dbraw/zinc/82/00/92/753820092.db2.gz GYBNPYYBVMBDEC-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001010368752 753820099 /nfs/dbraw/zinc/82/00/99/753820099.db2.gz GYBNPYYBVMBDEC-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001010368752 753820104 /nfs/dbraw/zinc/82/01/04/753820104.db2.gz GYBNPYYBVMBDEC-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032800050 754050907 /nfs/dbraw/zinc/05/09/07/754050907.db2.gz RZHRLQMKQWGNBK-ROUUACIJSA-N 2 1 311.429 1.670 20 30 DDEDMP Cc1ccc(C(=NO)Nc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)nc1 ZINC001169408053 762401178 /nfs/dbraw/zinc/40/11/78/762401178.db2.gz DOBNQENRHNMMIJ-UHFFFAOYSA-N 2 1 322.372 1.972 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711927 755902284 /nfs/dbraw/zinc/90/22/84/755902284.db2.gz QCAMWAXLOVAIOK-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711927 755902290 /nfs/dbraw/zinc/90/22/90/755902290.db2.gz QCAMWAXLOVAIOK-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711927 755902294 /nfs/dbraw/zinc/90/22/94/755902294.db2.gz QCAMWAXLOVAIOK-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080449425 755910123 /nfs/dbraw/zinc/91/01/23/755910123.db2.gz KFCRMLHRZVLBQN-CPUCHLNUSA-N 2 1 311.445 1.821 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080449425 755910125 /nfs/dbraw/zinc/91/01/25/755910125.db2.gz KFCRMLHRZVLBQN-CPUCHLNUSA-N 2 1 311.445 1.821 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080449425 755910127 /nfs/dbraw/zinc/91/01/27/755910127.db2.gz KFCRMLHRZVLBQN-CPUCHLNUSA-N 2 1 311.445 1.821 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659301 756415026 /nfs/dbraw/zinc/41/50/26/756415026.db2.gz VIURBEPMFGBUGQ-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081659301 756415031 /nfs/dbraw/zinc/41/50/31/756415031.db2.gz VIURBEPMFGBUGQ-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081659301 756415032 /nfs/dbraw/zinc/41/50/32/756415032.db2.gz VIURBEPMFGBUGQ-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742674 756909638 /nfs/dbraw/zinc/90/96/38/756909638.db2.gz OIADVCUDSDTBEX-CKEIUWERSA-N 2 1 309.429 1.269 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001016336532 756934510 /nfs/dbraw/zinc/93/45/10/756934510.db2.gz MEXSCALECTVNSZ-JKSUJKDBSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001016336532 756934513 /nfs/dbraw/zinc/93/45/13/756934513.db2.gz MEXSCALECTVNSZ-JKSUJKDBSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097220258 756988114 /nfs/dbraw/zinc/98/81/14/756988114.db2.gz VDKAANCTPOKXGO-LVQVYYBASA-N 2 1 312.417 1.505 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001097220258 756988121 /nfs/dbraw/zinc/98/81/21/756988121.db2.gz VDKAANCTPOKXGO-LVQVYYBASA-N 2 1 312.417 1.505 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016632488 757221852 /nfs/dbraw/zinc/22/18/52/757221852.db2.gz QICNMDAZORSWHB-OAGGEKHMSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001097694942 757376734 /nfs/dbraw/zinc/37/67/34/757376734.db2.gz LOGYUKWZHBPGBA-MLHJIOFPSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694942 757376744 /nfs/dbraw/zinc/37/67/44/757376744.db2.gz LOGYUKWZHBPGBA-MLHJIOFPSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001097694942 757376755 /nfs/dbraw/zinc/37/67/55/757376755.db2.gz LOGYUKWZHBPGBA-MLHJIOFPSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016931717 757486787 /nfs/dbraw/zinc/48/67/87/757486787.db2.gz VQCFAMXPVYEUPC-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001016969760 757518574 /nfs/dbraw/zinc/51/85/74/757518574.db2.gz OJPDVJYCYGEOCL-UONOGXRCSA-N 2 1 311.857 1.661 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052704137 757668429 /nfs/dbraw/zinc/66/84/29/757668429.db2.gz ZVYRJCMHFJAYIT-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704137 757668437 /nfs/dbraw/zinc/66/84/37/757668437.db2.gz ZVYRJCMHFJAYIT-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704137 757668444 /nfs/dbraw/zinc/66/84/44/757668444.db2.gz ZVYRJCMHFJAYIT-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661342 757747519 /nfs/dbraw/zinc/74/75/19/757747519.db2.gz PULLBTLVAFOGDI-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661342 757747522 /nfs/dbraw/zinc/74/75/22/757747522.db2.gz PULLBTLVAFOGDI-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001084661342 757747529 /nfs/dbraw/zinc/74/75/29/757747529.db2.gz PULLBTLVAFOGDI-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052872275 757909403 /nfs/dbraw/zinc/90/94/03/757909403.db2.gz ZYPWFBGFYWPGJK-CQSZACIVSA-N 2 1 300.406 1.365 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953300 758092184 /nfs/dbraw/zinc/09/21/84/758092184.db2.gz AOJIRVMDLGZPPX-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953300 758092193 /nfs/dbraw/zinc/09/21/93/758092193.db2.gz AOJIRVMDLGZPPX-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953300 758092203 /nfs/dbraw/zinc/09/22/03/758092203.db2.gz AOJIRVMDLGZPPX-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958009 758098131 /nfs/dbraw/zinc/09/81/31/758098131.db2.gz IJOOJYJYVXALPN-PMPSAXMXSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958009 758098145 /nfs/dbraw/zinc/09/81/45/758098145.db2.gz IJOOJYJYVXALPN-PMPSAXMXSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108508 758158014 /nfs/dbraw/zinc/15/80/14/758158014.db2.gz VJOXYDHRXIOVKK-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017766395 758216538 /nfs/dbraw/zinc/21/65/38/758216538.db2.gz WYUQVZKAONBKPT-KSZLIROESA-N 2 1 315.461 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001017766395 758216544 /nfs/dbraw/zinc/21/65/44/758216544.db2.gz WYUQVZKAONBKPT-KSZLIROESA-N 2 1 315.461 1.559 20 30 DDEDMP C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092700 758230302 /nfs/dbraw/zinc/23/03/02/758230302.db2.gz MPALXYWNOUCOEF-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092700 758230309 /nfs/dbraw/zinc/23/03/09/758230309.db2.gz MPALXYWNOUCOEF-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092700 758230315 /nfs/dbraw/zinc/23/03/15/758230315.db2.gz MPALXYWNOUCOEF-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092700 758230325 /nfs/dbraw/zinc/23/03/25/758230325.db2.gz MPALXYWNOUCOEF-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092700 758230332 /nfs/dbraw/zinc/23/03/32/758230332.db2.gz MPALXYWNOUCOEF-ILXRZTDVSA-N 2 1 311.857 1.613 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101212 758239354 /nfs/dbraw/zinc/23/93/54/758239354.db2.gz JZZKFMGVFILFDZ-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101212 758239360 /nfs/dbraw/zinc/23/93/60/758239360.db2.gz JZZKFMGVFILFDZ-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101212 758239366 /nfs/dbraw/zinc/23/93/66/758239366.db2.gz JZZKFMGVFILFDZ-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001040730548 762664497 /nfs/dbraw/zinc/66/44/97/762664497.db2.gz VWKUEKABICKHGF-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001085253760 759203218 /nfs/dbraw/zinc/20/32/18/759203218.db2.gz DUQZIZSORKWQSH-BRWVUGGUSA-N 2 1 305.466 1.757 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054149043 759229199 /nfs/dbraw/zinc/22/91/99/759229199.db2.gz ZLIVDXJIJMKPIQ-PKOBYXMFSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001040848463 762703652 /nfs/dbraw/zinc/70/36/52/762703652.db2.gz JMBOIQNEROMBOU-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085330963 759269856 /nfs/dbraw/zinc/26/98/56/759269856.db2.gz LPABBZSZPWDOCU-DJIMGWMZSA-N 2 1 314.433 1.404 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198369 759285721 /nfs/dbraw/zinc/28/57/21/759285721.db2.gz WSDGRAWVYNRSCA-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054198369 759285724 /nfs/dbraw/zinc/28/57/24/759285724.db2.gz WSDGRAWVYNRSCA-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054198369 759285726 /nfs/dbraw/zinc/28/57/26/759285726.db2.gz WSDGRAWVYNRSCA-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290298 759397855 /nfs/dbraw/zinc/39/78/55/759397855.db2.gz KWWBQPABLCUZQN-UHFFFAOYSA-N 2 1 323.440 1.738 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001018963178 759455593 /nfs/dbraw/zinc/45/55/93/759455593.db2.gz CDHSJKLACHMHGI-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008018 760536916 /nfs/dbraw/zinc/53/69/16/760536916.db2.gz BVXSVOAHQMVYCT-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008018 760536922 /nfs/dbraw/zinc/53/69/22/760536922.db2.gz BVXSVOAHQMVYCT-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001100008018 760536924 /nfs/dbraw/zinc/53/69/24/760536924.db2.gz BVXSVOAHQMVYCT-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038357415 761042795 /nfs/dbraw/zinc/04/27/95/761042795.db2.gz OTMIJTJBFYCAAI-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038357415 761042802 /nfs/dbraw/zinc/04/28/02/761042802.db2.gz OTMIJTJBFYCAAI-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040913896 762732434 /nfs/dbraw/zinc/73/24/34/762732434.db2.gz IVVINLSPEXUOSQ-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001001479464 762902390 /nfs/dbraw/zinc/90/23/90/762902390.db2.gz PRMPDTUVKUJEFM-INIZCTEOSA-N 2 1 314.433 1.612 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041358800 762979261 /nfs/dbraw/zinc/97/92/61/762979261.db2.gz QWZOBXMTBXSRDR-SJLPKXTDSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138074 763198369 /nfs/dbraw/zinc/19/83/69/763198369.db2.gz OGMDMIHIMCCFDN-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138074 763198373 /nfs/dbraw/zinc/19/83/73/763198373.db2.gz OGMDMIHIMCCFDN-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138074 763198377 /nfs/dbraw/zinc/19/83/77/763198377.db2.gz OGMDMIHIMCCFDN-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041676090 763216308 /nfs/dbraw/zinc/21/63/08/763216308.db2.gz URXZHOUKLMMZPL-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041676090 763216315 /nfs/dbraw/zinc/21/63/15/763216315.db2.gz URXZHOUKLMMZPL-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041676090 763216321 /nfs/dbraw/zinc/21/63/21/763216321.db2.gz URXZHOUKLMMZPL-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845710 763401735 /nfs/dbraw/zinc/40/17/35/763401735.db2.gz OGXPRNKFRGJNNK-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845710 763401738 /nfs/dbraw/zinc/40/17/38/763401738.db2.gz OGXPRNKFRGJNNK-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845710 763401740 /nfs/dbraw/zinc/40/17/40/763401740.db2.gz OGXPRNKFRGJNNK-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042095008 763642761 /nfs/dbraw/zinc/64/27/61/763642761.db2.gz FHFOQGAJAIVRRI-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042095008 763642762 /nfs/dbraw/zinc/64/27/62/763642762.db2.gz FHFOQGAJAIVRRI-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001042095008 763642764 /nfs/dbraw/zinc/64/27/64/763642764.db2.gz FHFOQGAJAIVRRI-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109418781 763678514 /nfs/dbraw/zinc/67/85/14/763678514.db2.gz BSXONLVCDXBMOF-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109418781 763678522 /nfs/dbraw/zinc/67/85/22/763678522.db2.gz BSXONLVCDXBMOF-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109418781 763678528 /nfs/dbraw/zinc/67/85/28/763678528.db2.gz BSXONLVCDXBMOF-YVSFHVDLSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109467214 763734688 /nfs/dbraw/zinc/73/46/88/763734688.db2.gz OCMRRJBVXIJDGA-IKGGRYGDSA-N 2 1 314.433 1.815 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050550418 763743764 /nfs/dbraw/zinc/74/37/64/763743764.db2.gz JZYOWVYQCDGGTN-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042188881 763755294 /nfs/dbraw/zinc/75/52/94/763755294.db2.gz XDFIURBUZATKED-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001044866844 765860557 /nfs/dbraw/zinc/86/05/57/765860557.db2.gz XVBPKDBGWNSSFH-GXTWGEPZSA-N 2 1 310.829 1.913 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045476188 766333033 /nfs/dbraw/zinc/33/30/33/766333033.db2.gz BQNVYJFBZVFCRF-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045476188 766333043 /nfs/dbraw/zinc/33/30/43/766333043.db2.gz BQNVYJFBZVFCRF-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045947697 766731201 /nfs/dbraw/zinc/73/12/01/766731201.db2.gz HUGDEYDJJLWYKT-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045947697 766731204 /nfs/dbraw/zinc/73/12/04/766731204.db2.gz HUGDEYDJJLWYKT-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045947697 766731206 /nfs/dbraw/zinc/73/12/06/766731206.db2.gz HUGDEYDJJLWYKT-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001045965413 766744614 /nfs/dbraw/zinc/74/46/14/766744614.db2.gz HAHUUOKHTRTNQV-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045965413 766744621 /nfs/dbraw/zinc/74/46/21/766744621.db2.gz HAHUUOKHTRTNQV-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001045965413 766744628 /nfs/dbraw/zinc/74/46/28/766744628.db2.gz HAHUUOKHTRTNQV-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045984407 766761031 /nfs/dbraw/zinc/76/10/31/766761031.db2.gz ZFQRBHLKAZQYRG-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CC)cc1 ZINC001129770553 766998629 /nfs/dbraw/zinc/99/86/29/766998629.db2.gz INYAYQFKZHBAIM-SFHVURJKSA-N 2 1 313.445 1.552 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(CC)cc1 ZINC001129770553 766998636 /nfs/dbraw/zinc/99/86/36/766998636.db2.gz INYAYQFKZHBAIM-SFHVURJKSA-N 2 1 313.445 1.552 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137405 769464001 /nfs/dbraw/zinc/46/40/01/769464001.db2.gz DGJINGXPQUYVGE-KURKYZTESA-N 2 1 317.477 1.852 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048824215 769948018 /nfs/dbraw/zinc/94/80/18/769948018.db2.gz VLHLLWUEHNSRQW-IXDOHACOSA-N 2 1 303.450 1.295 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849818 769984092 /nfs/dbraw/zinc/98/40/92/769984092.db2.gz TVIVVEAHYCVIAH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849818 769984094 /nfs/dbraw/zinc/98/40/94/769984094.db2.gz TVIVVEAHYCVIAH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849818 769984097 /nfs/dbraw/zinc/98/40/97/769984097.db2.gz TVIVVEAHYCVIAH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)C[C@H]2C1 ZINC001048862506 770005071 /nfs/dbraw/zinc/00/50/71/770005071.db2.gz WVHQNJXTJWOXDO-JZXOWHBKSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862506 770005085 /nfs/dbraw/zinc/00/50/85/770005085.db2.gz WVHQNJXTJWOXDO-JZXOWHBKSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C[C@H]2C1 ZINC001048862506 770005098 /nfs/dbraw/zinc/00/50/98/770005098.db2.gz WVHQNJXTJWOXDO-JZXOWHBKSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048861907 770006946 /nfs/dbraw/zinc/00/69/46/770006946.db2.gz OPIZFRKRJUOABI-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861907 770006957 /nfs/dbraw/zinc/00/69/57/770006957.db2.gz OPIZFRKRJUOABI-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861907 770006967 /nfs/dbraw/zinc/00/69/67/770006967.db2.gz OPIZFRKRJUOABI-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048884608 770044406 /nfs/dbraw/zinc/04/44/06/770044406.db2.gz FHSRRYMQGBSKOS-IYBDPMFKSA-N 2 1 303.450 1.439 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC001048919046 770109113 /nfs/dbraw/zinc/10/91/13/770109113.db2.gz NJENTXHXVXSRHY-IYBDPMFKSA-N 2 1 310.401 1.914 20 30 DDEDMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133865743 770384154 /nfs/dbraw/zinc/38/41/54/770384154.db2.gz FZCXIIZOQSGQBG-MLGOLLRUSA-N 2 1 318.396 1.101 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133865743 770384163 /nfs/dbraw/zinc/38/41/63/770384163.db2.gz FZCXIIZOQSGQBG-MLGOLLRUSA-N 2 1 318.396 1.101 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049232799 770578886 /nfs/dbraw/zinc/57/88/86/770578886.db2.gz BCPFCLKMJOBQBA-CALCHBBNSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001049526503 770977192 /nfs/dbraw/zinc/97/71/92/770977192.db2.gz VFLDTQBYFOCKNU-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526503 770977198 /nfs/dbraw/zinc/97/71/98/770977198.db2.gz VFLDTQBYFOCKNU-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001049526503 770977201 /nfs/dbraw/zinc/97/72/01/770977201.db2.gz VFLDTQBYFOCKNU-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049719805 771112378 /nfs/dbraw/zinc/11/23/78/771112378.db2.gz NWUBRNXYKSHDTG-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049719805 771112379 /nfs/dbraw/zinc/11/23/79/771112379.db2.gz NWUBRNXYKSHDTG-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001049719805 771112380 /nfs/dbraw/zinc/11/23/80/771112380.db2.gz NWUBRNXYKSHDTG-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049764083 771142833 /nfs/dbraw/zinc/14/28/33/771142833.db2.gz BRQLUBRVIYRNIB-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c[nH+]ccc1N(C)C ZINC001049846249 771203337 /nfs/dbraw/zinc/20/33/37/771203337.db2.gz GUNTUHALCYATGX-IAGOWNOFSA-N 2 1 312.417 1.460 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086787118 771729078 /nfs/dbraw/zinc/72/90/78/771729078.db2.gz FBLWRPBIFKIINR-ARFHVFGLSA-N 2 1 316.449 1.814 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073611031 773213320 /nfs/dbraw/zinc/21/33/20/773213320.db2.gz LXZUNXOVDJHZOZ-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611031 773213323 /nfs/dbraw/zinc/21/33/23/773213323.db2.gz LXZUNXOVDJHZOZ-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073611031 773213327 /nfs/dbraw/zinc/21/33/27/773213327.db2.gz LXZUNXOVDJHZOZ-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147829958 773258976 /nfs/dbraw/zinc/25/89/76/773258976.db2.gz NPOHPVAPNCVQHW-UHFFFAOYSA-N 2 1 314.433 1.628 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683368 773379174 /nfs/dbraw/zinc/37/91/74/773379174.db2.gz NOVFRYRSYJJMBZ-KONPQCLYSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683368 773379180 /nfs/dbraw/zinc/37/91/80/773379180.db2.gz NOVFRYRSYJJMBZ-KONPQCLYSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683368 773379186 /nfs/dbraw/zinc/37/91/86/773379186.db2.gz NOVFRYRSYJJMBZ-KONPQCLYSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001148292671 773434697 /nfs/dbraw/zinc/43/46/97/773434697.db2.gz PGJWJRRGUOZKJJ-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292671 773434701 /nfs/dbraw/zinc/43/47/01/773434701.db2.gz PGJWJRRGUOZKJJ-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001148292671 773434705 /nfs/dbraw/zinc/43/47/05/773434705.db2.gz PGJWJRRGUOZKJJ-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273889 774039431 /nfs/dbraw/zinc/03/94/31/774039431.db2.gz VOILPUWLILURNR-LZWOXQAQSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273889 774039438 /nfs/dbraw/zinc/03/94/38/774039438.db2.gz VOILPUWLILURNR-LZWOXQAQSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273889 774039443 /nfs/dbraw/zinc/03/94/43/774039443.db2.gz VOILPUWLILURNR-LZWOXQAQSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273889 774039449 /nfs/dbraw/zinc/03/94/49/774039449.db2.gz VOILPUWLILURNR-LZWOXQAQSA-N 2 1 311.857 1.471 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036736494 774430401 /nfs/dbraw/zinc/43/04/01/774430401.db2.gz AKUTUQGNJXURQQ-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736494 774430405 /nfs/dbraw/zinc/43/04/05/774430405.db2.gz AKUTUQGNJXURQQ-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736494 774430409 /nfs/dbraw/zinc/43/04/09/774430409.db2.gz AKUTUQGNJXURQQ-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036749009 774471467 /nfs/dbraw/zinc/47/14/67/774471467.db2.gz PDQIHEMEAHTBJP-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036756816 774483537 /nfs/dbraw/zinc/48/35/37/774483537.db2.gz SMUNZROLBXSHQP-CJNGLKHVSA-N 2 1 318.421 1.459 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@@H]21 ZINC001036756816 774483540 /nfs/dbraw/zinc/48/35/40/774483540.db2.gz SMUNZROLBXSHQP-CJNGLKHVSA-N 2 1 318.421 1.459 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098834977 774689477 /nfs/dbraw/zinc/68/94/77/774689477.db2.gz FKTGEIGEDAAHNH-JZXOWHBKSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098834977 774689482 /nfs/dbraw/zinc/68/94/82/774689482.db2.gz FKTGEIGEDAAHNH-JZXOWHBKSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098834977 774689485 /nfs/dbraw/zinc/68/94/85/774689485.db2.gz FKTGEIGEDAAHNH-JZXOWHBKSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099121613 774850770 /nfs/dbraw/zinc/85/07/70/774850770.db2.gz DUXUTXOUUQIDAH-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001099121613 774850781 /nfs/dbraw/zinc/85/07/81/774850781.db2.gz DUXUTXOUUQIDAH-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001099121613 774850790 /nfs/dbraw/zinc/85/07/90/774850790.db2.gz DUXUTXOUUQIDAH-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099529561 775018682 /nfs/dbraw/zinc/01/86/82/775018682.db2.gz SGCLMKFCLXRWAC-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556781 775030214 /nfs/dbraw/zinc/03/02/14/775030214.db2.gz QOTCPNYFNZNIMQ-HZMVEIRTSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556781 775030222 /nfs/dbraw/zinc/03/02/22/775030222.db2.gz QOTCPNYFNZNIMQ-HZMVEIRTSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556781 775030228 /nfs/dbraw/zinc/03/02/28/775030228.db2.gz QOTCPNYFNZNIMQ-HZMVEIRTSA-N 2 1 305.466 1.681 20 30 DDEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212006 775829268 /nfs/dbraw/zinc/82/92/68/775829268.db2.gz KBQBZIPSXOTQQV-JCYILVPMSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212006 775829272 /nfs/dbraw/zinc/82/92/72/775829272.db2.gz KBQBZIPSXOTQQV-JCYILVPMSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406001 776109544 /nfs/dbraw/zinc/10/95/44/776109544.db2.gz WXIUSAWIOLHHNE-JCYILVPMSA-N 2 1 305.466 1.757 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513613 776260244 /nfs/dbraw/zinc/26/02/44/776260244.db2.gz CMIKDCKICDIRBN-UHFFFAOYSA-N 2 1 316.449 1.822 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758924 776507239 /nfs/dbraw/zinc/50/72/39/776507239.db2.gz VPXOLLUBSNEYJB-UHFFFAOYSA-N 2 1 309.454 1.159 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCOCC1)C2 ZINC001095016557 776989346 /nfs/dbraw/zinc/98/93/46/776989346.db2.gz NDEBKXIHFNUIIN-BBWFWOEESA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101396833 777115737 /nfs/dbraw/zinc/11/57/37/777115737.db2.gz NJAWEGROJNFWCG-LMMKCTJWSA-N 2 1 319.493 1.766 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101418436 777129036 /nfs/dbraw/zinc/12/90/36/777129036.db2.gz QZMRKPGIOOIKLH-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418436 777129042 /nfs/dbraw/zinc/12/90/42/777129042.db2.gz QZMRKPGIOOIKLH-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101418436 777129046 /nfs/dbraw/zinc/12/90/46/777129046.db2.gz QZMRKPGIOOIKLH-AEFFLSMTSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001150323965 777408411 /nfs/dbraw/zinc/40/84/11/777408411.db2.gz FIBBWXYVFDTLSL-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150323965 777408412 /nfs/dbraw/zinc/40/84/12/777408412.db2.gz FIBBWXYVFDTLSL-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150323965 777408415 /nfs/dbraw/zinc/40/84/15/777408415.db2.gz FIBBWXYVFDTLSL-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061732 777844936 /nfs/dbraw/zinc/84/49/36/777844936.db2.gz BVZAJBGFCRTKES-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102061732 777844946 /nfs/dbraw/zinc/84/49/46/777844946.db2.gz BVZAJBGFCRTKES-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102061732 777844954 /nfs/dbraw/zinc/84/49/54/777844954.db2.gz BVZAJBGFCRTKES-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001176072403 778012628 /nfs/dbraw/zinc/01/26/28/778012628.db2.gz SEADFKCZPGSGQD-CQSZACIVSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993952 778540077 /nfs/dbraw/zinc/54/00/77/778540077.db2.gz MEVUUHSBZZRCQE-DJIMGWMZSA-N 2 1 305.466 1.588 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328141 778541521 /nfs/dbraw/zinc/54/15/21/778541521.db2.gz ANSIPSBYHZFOJQ-SJLPKXTDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150706994 778590124 /nfs/dbraw/zinc/59/01/24/778590124.db2.gz RFKMFFVJJUCVDW-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150706994 778590127 /nfs/dbraw/zinc/59/01/27/778590127.db2.gz RFKMFFVJJUCVDW-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150706994 778590131 /nfs/dbraw/zinc/59/01/31/778590131.db2.gz RFKMFFVJJUCVDW-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103148316 778666995 /nfs/dbraw/zinc/66/69/95/778666995.db2.gz WQAUIXAMHVAGPM-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103148316 778667000 /nfs/dbraw/zinc/66/70/00/778667000.db2.gz WQAUIXAMHVAGPM-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103148316 778667004 /nfs/dbraw/zinc/66/70/04/778667004.db2.gz WQAUIXAMHVAGPM-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751808 779029450 /nfs/dbraw/zinc/02/94/50/779029450.db2.gz STACAKBECNPIKU-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001178722274 779137853 /nfs/dbraw/zinc/13/78/53/779137853.db2.gz FWPFFECCZVAMCX-KRWDZBQOSA-N 2 1 303.450 1.374 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001178722274 779137858 /nfs/dbraw/zinc/13/78/58/779137858.db2.gz FWPFFECCZVAMCX-KRWDZBQOSA-N 2 1 303.450 1.374 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC001179653096 779436074 /nfs/dbraw/zinc/43/60/74/779436074.db2.gz XYQDCINGHWFMEX-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCCCCC[NH2+]CC#CCOC ZINC001179989269 779570282 /nfs/dbraw/zinc/57/02/82/779570282.db2.gz XCKFBNQVJJEGHL-UHFFFAOYSA-N 2 1 311.470 1.244 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111986694 779590522 /nfs/dbraw/zinc/59/05/22/779590522.db2.gz VLRXBOSQFBRBMN-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111986694 779590526 /nfs/dbraw/zinc/59/05/26/779590526.db2.gz VLRXBOSQFBRBMN-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112432205 779776916 /nfs/dbraw/zinc/77/69/16/779776916.db2.gz YOVAURPQINITEJ-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001115298649 780015294 /nfs/dbraw/zinc/01/52/94/780015294.db2.gz VDEGSWRAQGZIEP-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729648 780380746 /nfs/dbraw/zinc/38/07/46/780380746.db2.gz OAKQHIDQLUZXGT-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001271883839 844178936 /nfs/dbraw/zinc/17/89/36/844178936.db2.gz DVHYFAWHOZKJLW-GDBMZVCRSA-N 2 1 302.422 1.118 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC001271904312 844196739 /nfs/dbraw/zinc/19/67/39/844196739.db2.gz ZVINPSZIMHVXQC-YOEHRIQHSA-N 2 1 311.445 1.563 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267112168 837369983 /nfs/dbraw/zinc/36/99/83/837369983.db2.gz PLHWCSXVICLYTC-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267112168 837369992 /nfs/dbraw/zinc/36/99/92/837369992.db2.gz PLHWCSXVICLYTC-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C[C@@H](C)CC)C2CC2)CC1 ZINC001267338137 837855716 /nfs/dbraw/zinc/85/57/16/837855716.db2.gz QXAUQBHXJIJAQN-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(CN(C)C)on2)C1 ZINC001025460712 838464726 /nfs/dbraw/zinc/46/47/26/838464726.db2.gz LJQRDOXERBTPHC-KGLIPLIRSA-N 2 1 318.421 1.200 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267709316 838691648 /nfs/dbraw/zinc/69/16/48/838691648.db2.gz VVUIEPMAIGQHJA-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267709316 838691652 /nfs/dbraw/zinc/69/16/52/838691652.db2.gz VVUIEPMAIGQHJA-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267970314 839294394 /nfs/dbraw/zinc/29/43/94/839294394.db2.gz RZCFCGDBBXHAEG-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCCC1 ZINC001268040673 839532117 /nfs/dbraw/zinc/53/21/17/839532117.db2.gz TWYDXQBWYLNSFG-UHFFFAOYSA-N 2 1 323.481 1.694 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1 ZINC001268374763 840079404 /nfs/dbraw/zinc/07/94/04/840079404.db2.gz QZVMNKTTXBFNJL-ZFWWWQNUSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cncs1 ZINC001268374763 840079411 /nfs/dbraw/zinc/07/94/11/840079411.db2.gz QZVMNKTTXBFNJL-ZFWWWQNUSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(C)(C)C ZINC001268552496 840435012 /nfs/dbraw/zinc/43/50/12/840435012.db2.gz NCQGNIZREPWSJB-MOEXGYKKSA-N 2 1 305.466 1.782 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(C)(C)C ZINC001268552496 840435016 /nfs/dbraw/zinc/43/50/16/840435016.db2.gz NCQGNIZREPWSJB-MOEXGYKKSA-N 2 1 305.466 1.782 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268704610 840692869 /nfs/dbraw/zinc/69/28/69/840692869.db2.gz KGUITUKDSNUNSS-AWEZNQCLSA-N 2 1 320.437 1.945 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269798014 842057484 /nfs/dbraw/zinc/05/74/84/842057484.db2.gz FWKXJRXXYHUSMK-HUUCEWRRSA-N 2 1 313.873 1.909 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1 ZINC001270427861 842569376 /nfs/dbraw/zinc/56/93/76/842569376.db2.gz RZFQIMGRNZZYBU-RDJZCZTQSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1 ZINC001270427861 842569380 /nfs/dbraw/zinc/56/93/80/842569380.db2.gz RZFQIMGRNZZYBU-RDJZCZTQSA-N 2 1 305.466 1.616 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001326436007 861368111 /nfs/dbraw/zinc/36/81/11/861368111.db2.gz AVRZPLPWTKFDIH-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001326436007 861368124 /nfs/dbraw/zinc/36/81/24/861368124.db2.gz AVRZPLPWTKFDIH-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCN1CCOC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001326655683 861513507 /nfs/dbraw/zinc/51/35/07/861513507.db2.gz PEBOVJIZIOWCAO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999738 861635135 /nfs/dbraw/zinc/63/51/35/861635135.db2.gz MJUJQNBDLGMGDT-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CCC1 ZINC001326875647 861678783 /nfs/dbraw/zinc/67/87/83/861678783.db2.gz QLCBCMDNLBXVQU-OAHLLOKOSA-N 2 1 314.433 1.406 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997094746 847340945 /nfs/dbraw/zinc/34/09/45/847340945.db2.gz YKRZBWFCRYRSMB-BPQIPLTHSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCCCCCN1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001272901394 847612244 /nfs/dbraw/zinc/61/22/44/847612244.db2.gz IASCGUARQVGLCQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272901394 847612253 /nfs/dbraw/zinc/61/22/53/847612253.db2.gz IASCGUARQVGLCQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001272901394 847612260 /nfs/dbraw/zinc/61/22/60/847612260.db2.gz IASCGUARQVGLCQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001272901394 847612271 /nfs/dbraw/zinc/61/22/71/847612271.db2.gz IASCGUARQVGLCQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001272901394 847612277 /nfs/dbraw/zinc/61/22/77/847612277.db2.gz IASCGUARQVGLCQ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148706 848036255 /nfs/dbraw/zinc/03/62/55/848036255.db2.gz NVIWFBOXTMNRAJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148706 848036242 /nfs/dbraw/zinc/03/62/42/848036242.db2.gz NVIWFBOXTMNRAJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148706 848036247 /nfs/dbraw/zinc/03/62/47/848036247.db2.gz NVIWFBOXTMNRAJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148706 848036259 /nfs/dbraw/zinc/03/62/59/848036259.db2.gz NVIWFBOXTMNRAJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001005518458 848069791 /nfs/dbraw/zinc/06/97/91/848069791.db2.gz LDKWFEDAHQAXCL-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001005518458 848069796 /nfs/dbraw/zinc/06/97/96/848069796.db2.gz LDKWFEDAHQAXCL-WBVHZDCISA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034248457 848155053 /nfs/dbraw/zinc/15/50/53/848155053.db2.gz CRTYPGPITIJTDH-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034248457 848155057 /nfs/dbraw/zinc/15/50/57/848155057.db2.gz CRTYPGPITIJTDH-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258600 848182983 /nfs/dbraw/zinc/18/29/83/848182983.db2.gz ZHVPRNAWFMVIKI-KRWDZBQOSA-N 2 1 317.477 1.856 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150299785 862174977 /nfs/dbraw/zinc/17/49/77/862174977.db2.gz SWZYOAUGHCYKQP-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001273894759 851479256 /nfs/dbraw/zinc/47/92/56/851479256.db2.gz WFMBQYITCLSIDZ-FUHWJXTLSA-N 2 1 323.481 1.236 20 30 DDEDMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](CCCCC#N)C2)C1=O ZINC001274042408 851883394 /nfs/dbraw/zinc/88/33/94/851883394.db2.gz FMMNVOYFEMZDPD-KRWDZBQOSA-N 2 1 320.437 1.083 20 30 DDEDMP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001327590856 862299844 /nfs/dbraw/zinc/29/98/44/862299844.db2.gz IMXKIJCXVVNTHS-WMZOPIPTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2)C1=O ZINC001274654444 852488829 /nfs/dbraw/zinc/48/88/29/852488829.db2.gz DWUWLAGLVJFWOQ-FUHWJXTLSA-N 2 1 323.481 1.190 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC001275327412 852984334 /nfs/dbraw/zinc/98/43/34/852984334.db2.gz RITFYELBFGETIV-ROUUACIJSA-N 2 1 316.424 1.908 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001328285501 862865671 /nfs/dbraw/zinc/86/56/71/862865671.db2.gz RNUINBUFYVDDIJ-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC001072870332 857823712 /nfs/dbraw/zinc/82/37/12/857823712.db2.gz FPIRVMVYZPATPD-OAHLLOKOSA-N 2 1 312.417 1.003 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001072898391 857861244 /nfs/dbraw/zinc/86/12/44/857861244.db2.gz XFELSPFQWDRPAF-UHFFFAOYSA-N 2 1 308.385 1.506 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125738 858121553 /nfs/dbraw/zinc/12/15/53/858121553.db2.gz ICMGTBSTRULRRQ-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457546 858354189 /nfs/dbraw/zinc/35/41/89/858354189.db2.gz VHTKGROKDBGMFE-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073462132 858357758 /nfs/dbraw/zinc/35/77/58/858357758.db2.gz MSMHBWZYHUMLIG-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599542 858473100 /nfs/dbraw/zinc/47/31/00/858473100.db2.gz HEEJBSGREYAKOF-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599542 858473104 /nfs/dbraw/zinc/47/31/04/858473104.db2.gz HEEJBSGREYAKOF-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599542 858473107 /nfs/dbraw/zinc/47/31/07/858473107.db2.gz HEEJBSGREYAKOF-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605128 858478594 /nfs/dbraw/zinc/47/85/94/858478594.db2.gz BGBGXHOPPFVTCG-SJORKVTESA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N1CCC([NH+](C)C)CC1 ZINC001276979749 881438071 /nfs/dbraw/zinc/43/80/71/881438071.db2.gz MEZQOGSYPQWRJP-MAUKXSAKSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001224854564 881559296 /nfs/dbraw/zinc/55/92/96/881559296.db2.gz CZQCKODRRHVKAI-UHFFFAOYSA-N 2 1 316.449 1.823 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001325779840 860827067 /nfs/dbraw/zinc/82/70/67/860827067.db2.gz VQVAYACKXKMUOG-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001325846944 860881047 /nfs/dbraw/zinc/88/10/47/860881047.db2.gz JQTPMGRIGNTGQS-XYJFISCASA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001325846944 860881048 /nfs/dbraw/zinc/88/10/48/860881048.db2.gz JQTPMGRIGNTGQS-XYJFISCASA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001325846944 860881053 /nfs/dbraw/zinc/88/10/53/860881053.db2.gz JQTPMGRIGNTGQS-XYJFISCASA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001328787470 863226170 /nfs/dbraw/zinc/22/61/70/863226170.db2.gz WLOGGZWZSFOUIR-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001328787470 863226182 /nfs/dbraw/zinc/22/61/82/863226182.db2.gz WLOGGZWZSFOUIR-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001328787470 863226193 /nfs/dbraw/zinc/22/61/93/863226193.db2.gz WLOGGZWZSFOUIR-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001328810963 863244680 /nfs/dbraw/zinc/24/46/80/863244680.db2.gz ZWHMXMQNWBGZJW-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001328810963 863244690 /nfs/dbraw/zinc/24/46/90/863244690.db2.gz ZWHMXMQNWBGZJW-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001328810963 863244692 /nfs/dbraw/zinc/24/46/92/863244692.db2.gz ZWHMXMQNWBGZJW-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001153819449 864130917 /nfs/dbraw/zinc/13/09/17/864130917.db2.gz ZUQVKEUPKYMUBY-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001153819449 864130921 /nfs/dbraw/zinc/13/09/21/864130921.db2.gz ZUQVKEUPKYMUBY-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001153819449 864130923 /nfs/dbraw/zinc/13/09/23/864130923.db2.gz ZUQVKEUPKYMUBY-NVXWUHKLSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001330340584 864253435 /nfs/dbraw/zinc/25/34/35/864253435.db2.gz TZNMMHFQHUSCPR-XLAORIBOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001331058122 864810381 /nfs/dbraw/zinc/81/03/81/864810381.db2.gz BSSXTSRAICONPB-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001331058122 864810400 /nfs/dbraw/zinc/81/04/00/864810400.db2.gz BSSXTSRAICONPB-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC001331286537 864989357 /nfs/dbraw/zinc/98/93/57/864989357.db2.gz ZFAGWJRZMALADI-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CC)([NH+](C)C)CC2)C1 ZINC001331286537 864989363 /nfs/dbraw/zinc/98/93/63/864989363.db2.gz ZFAGWJRZMALADI-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001331303132 865000210 /nfs/dbraw/zinc/00/02/10/865000210.db2.gz LPKOAOMSISWZLZ-MRXNPFEDSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001160196669 865722697 /nfs/dbraw/zinc/72/26/97/865722697.db2.gz XGJJPLYRXHFCFF-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001160196669 865722704 /nfs/dbraw/zinc/72/27/04/865722704.db2.gz XGJJPLYRXHFCFF-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001160196669 865722711 /nfs/dbraw/zinc/72/27/11/865722711.db2.gz XGJJPLYRXHFCFF-DLBZAZTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225583005 881919666 /nfs/dbraw/zinc/91/96/66/881919666.db2.gz YCEUQVHPVYOSTP-UHFFFAOYSA-N 2 1 311.470 1.357 20 30 DDEDMP C[C@@H](C#N)N(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001161143544 866405918 /nfs/dbraw/zinc/40/59/18/866405918.db2.gz ADIFEHPRFGBBKS-HOCLYGCPSA-N 2 1 312.417 1.078 20 30 DDEDMP C[C@@H](C#N)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001161143544 866405925 /nfs/dbraw/zinc/40/59/25/866405925.db2.gz ADIFEHPRFGBBKS-HOCLYGCPSA-N 2 1 312.417 1.078 20 30 DDEDMP C#CC[NH+](CC1CC1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001323733592 866802846 /nfs/dbraw/zinc/80/28/46/866802846.db2.gz KOTCNJAQKAHLHJ-UHFFFAOYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001323733592 866802855 /nfs/dbraw/zinc/80/28/55/866802855.db2.gz KOTCNJAQKAHLHJ-UHFFFAOYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001323733592 866802873 /nfs/dbraw/zinc/80/28/73/866802873.db2.gz KOTCNJAQKAHLHJ-UHFFFAOYSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001323834617 866878787 /nfs/dbraw/zinc/87/87/87/866878787.db2.gz AZLVXYFMWDYHRE-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161705358 866914273 /nfs/dbraw/zinc/91/42/73/866914273.db2.gz RFSHEACNNPLWQW-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161705358 866914301 /nfs/dbraw/zinc/91/43/01/866914301.db2.gz RFSHEACNNPLWQW-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001161705358 866914320 /nfs/dbraw/zinc/91/43/20/866914320.db2.gz RFSHEACNNPLWQW-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC001324087854 867061674 /nfs/dbraw/zinc/06/16/74/867061674.db2.gz JPYVOAGYUFGRLG-HOCLYGCPSA-N 2 1 302.422 1.574 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001324818067 867548081 /nfs/dbraw/zinc/54/80/81/867548081.db2.gz RMOKHUOFVKQURN-MSOLQXFVSA-N 2 1 303.450 1.324 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC001162860074 867883068 /nfs/dbraw/zinc/88/30/68/867883068.db2.gz SXADHXRMCKFTHI-UHFFFAOYSA-N 2 1 324.428 1.486 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)C[C@H](F)CC)CC1 ZINC001322308738 868108607 /nfs/dbraw/zinc/10/86/07/868108607.db2.gz ZKPRGQVBSSYADS-GOEBONIOSA-N 2 1 311.445 1.516 20 30 DDEDMP CC(C)[N@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C[C@H]1C ZINC001165198779 869422457 /nfs/dbraw/zinc/42/24/57/869422457.db2.gz HZZUSPHDTABWAP-CQSZACIVSA-N 2 1 313.449 1.908 20 30 DDEDMP Cc1ccc(CC#N)c(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)[nH+]1 ZINC001165313732 869512363 /nfs/dbraw/zinc/51/23/63/869512363.db2.gz NWQYNBUQWBVSHU-UHFFFAOYSA-N 2 1 323.404 1.147 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001165546034 869636358 /nfs/dbraw/zinc/63/63/58/869636358.db2.gz WEMQMVICEZOFLJ-NOKKCYSASA-N 2 1 323.868 1.713 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C/C=C\Cl)CC1 ZINC001165546034 869636360 /nfs/dbraw/zinc/63/63/60/869636360.db2.gz WEMQMVICEZOFLJ-NOKKCYSASA-N 2 1 323.868 1.713 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165911910 869762604 /nfs/dbraw/zinc/76/26/04/869762604.db2.gz GLGAGRHVIMBGTC-UHFFFAOYSA-N 2 1 320.437 1.802 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001166202690 869899989 /nfs/dbraw/zinc/89/99/89/869899989.db2.gz WMSOZNCNTPQLRI-UHFFFAOYSA-N 2 1 310.829 1.820 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203506623 870604493 /nfs/dbraw/zinc/60/44/93/870604493.db2.gz KKBSTHXHKGKARQ-HZPDHXFCSA-N 2 1 321.465 1.302 20 30 DDEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001317708455 871431825 /nfs/dbraw/zinc/43/18/25/871431825.db2.gz BENIYWJKWGQAGU-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001317708455 871431835 /nfs/dbraw/zinc/43/18/35/871431835.db2.gz BENIYWJKWGQAGU-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001317708455 871431846 /nfs/dbraw/zinc/43/18/46/871431846.db2.gz BENIYWJKWGQAGU-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001317708455 871431855 /nfs/dbraw/zinc/43/18/55/871431855.db2.gz BENIYWJKWGQAGU-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC001341768270 871816627 /nfs/dbraw/zinc/81/66/27/871816627.db2.gz REPNGKKCUPCBNX-HZPDHXFCSA-N 2 1 305.397 1.982 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001316920066 871842781 /nfs/dbraw/zinc/84/27/81/871842781.db2.gz JCFGPKSSASCKNT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001316920066 871842797 /nfs/dbraw/zinc/84/27/97/871842797.db2.gz JCFGPKSSASCKNT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001316920066 871842820 /nfs/dbraw/zinc/84/28/20/871842820.db2.gz JCFGPKSSASCKNT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001206274880 872176548 /nfs/dbraw/zinc/17/65/48/872176548.db2.gz MOKIAUCYCRAEQO-ZDUSSCGKSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208341334 874034990 /nfs/dbraw/zinc/03/49/90/874034990.db2.gz ZAGNXFDLUBAGKC-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209643709 875033662 /nfs/dbraw/zinc/03/36/62/875033662.db2.gz VSGBEGHLCRAKEH-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210145446 875246034 /nfs/dbraw/zinc/24/60/34/875246034.db2.gz HEHVTQQHOWWNMY-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931172 876105357 /nfs/dbraw/zinc/10/53/57/876105357.db2.gz DVQLMHYCZVVKPI-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931172 876105359 /nfs/dbraw/zinc/10/53/59/876105359.db2.gz DVQLMHYCZVVKPI-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001214879016 876489826 /nfs/dbraw/zinc/48/98/26/876489826.db2.gz MDLUGNRGQNGDIU-ZACQAIPSSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001214879016 876489833 /nfs/dbraw/zinc/48/98/33/876489833.db2.gz MDLUGNRGQNGDIU-ZACQAIPSSA-N 2 1 303.450 1.487 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410120 876702567 /nfs/dbraw/zinc/70/25/67/876702567.db2.gz NBSCPBNIHVPTAU-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220362474 878947883 /nfs/dbraw/zinc/94/78/83/878947883.db2.gz XWESHWUICVCVHL-XHSDSOJGSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220362474 878947896 /nfs/dbraw/zinc/94/78/96/878947896.db2.gz XWESHWUICVCVHL-XHSDSOJGSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001220362474 878947907 /nfs/dbraw/zinc/94/79/07/878947907.db2.gz XWESHWUICVCVHL-XHSDSOJGSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@](C)([NH3+])Cc1ccc(F)cc1 ZINC001220868221 879330060 /nfs/dbraw/zinc/33/00/60/879330060.db2.gz FBSLBSFCLQAYRH-WMZOPIPTSA-N 2 1 319.424 1.852 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588008 879961783 /nfs/dbraw/zinc/96/17/83/879961783.db2.gz PWALGMLBKNNEJM-OWCLPIDISA-N 2 1 311.445 1.775 20 30 DDEDMP N#Cc1ccc(F)c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1F ZINC001222095452 880245333 /nfs/dbraw/zinc/24/53/33/880245333.db2.gz SYQYEGWVTKEDMK-UHFFFAOYSA-N 2 1 306.360 1.364 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277284264 883399364 /nfs/dbraw/zinc/39/93/64/883399364.db2.gz JKJZMCZMWLTESF-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001228593309 883566209 /nfs/dbraw/zinc/56/62/09/883566209.db2.gz ALAFBSMPTUCBOW-GVDBMIGSSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142314 883843536 /nfs/dbraw/zinc/84/35/36/883843536.db2.gz QOUSLWMABMFDBX-IAGOWNOFSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001277847235 887870551 /nfs/dbraw/zinc/87/05/51/887870551.db2.gz YHUYEOJUYHABRN-STQMWFEESA-N 2 1 319.371 1.473 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001277847235 887870558 /nfs/dbraw/zinc/87/05/58/887870558.db2.gz YHUYEOJUYHABRN-STQMWFEESA-N 2 1 319.371 1.473 20 30 DDEDMP N#CCCC[N@@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001277945112 888639882 /nfs/dbraw/zinc/63/98/82/888639882.db2.gz MUXODPUDNPCDFM-KRWDZBQOSA-N 2 1 301.438 1.975 20 30 DDEDMP N#CCCC[N@H+]1CCC[C@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001277945112 888639892 /nfs/dbraw/zinc/63/98/92/888639892.db2.gz MUXODPUDNPCDFM-KRWDZBQOSA-N 2 1 301.438 1.975 20 30 DDEDMP N#CCCC[NH+]1CCC[C@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001277945112 888639904 /nfs/dbraw/zinc/63/99/04/888639904.db2.gz MUXODPUDNPCDFM-KRWDZBQOSA-N 2 1 301.438 1.975 20 30 DDEDMP N#CCCC[NH+]1CCC[C@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277945112 888639913 /nfs/dbraw/zinc/63/99/13/888639913.db2.gz MUXODPUDNPCDFM-KRWDZBQOSA-N 2 1 301.438 1.975 20 30 DDEDMP CC1(C)NC[C@@H](C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)O1 ZINC001235868073 888986943 /nfs/dbraw/zinc/98/69/43/888986943.db2.gz RGNFFQHTUBIHAC-HNNXBMFYSA-N 2 1 315.421 1.190 20 30 DDEDMP CC1(C)NC[C@@H](C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)O1 ZINC001235868073 888986957 /nfs/dbraw/zinc/98/69/57/888986957.db2.gz RGNFFQHTUBIHAC-HNNXBMFYSA-N 2 1 315.421 1.190 20 30 DDEDMP C#CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001278627505 894623961 /nfs/dbraw/zinc/62/39/61/894623961.db2.gz SUCPCULGRWTRLK-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1cccc(C#N)c1 ZINC001367542104 897109174 /nfs/dbraw/zinc/10/91/74/897109174.db2.gz JSDSXIHKXNWKRD-UHFFFAOYSA-N 2 1 316.449 1.790 20 30 DDEDMP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC001367542104 897109179 /nfs/dbraw/zinc/10/91/79/897109179.db2.gz JSDSXIHKXNWKRD-UHFFFAOYSA-N 2 1 316.449 1.790 20 30 DDEDMP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001367542104 897109186 /nfs/dbraw/zinc/10/91/86/897109186.db2.gz JSDSXIHKXNWKRD-UHFFFAOYSA-N 2 1 316.449 1.790 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001367705457 897525272 /nfs/dbraw/zinc/52/52/72/897525272.db2.gz DZYBMNPWZOODSQ-CQSZACIVSA-N 2 1 302.422 1.494 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374873753 914197835 /nfs/dbraw/zinc/19/78/35/914197835.db2.gz SHFKALBNPXPCPM-BBRMVZONSA-N 2 1 300.406 1.247 20 30 DDEDMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367814638 897892340 /nfs/dbraw/zinc/89/23/40/897892340.db2.gz QKWNIZAURHCZQF-WMLDXEAASA-N 2 1 316.449 1.835 20 30 DDEDMP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001367847469 898012285 /nfs/dbraw/zinc/01/22/85/898012285.db2.gz VMFNURZXGPHZHD-CYBMUJFWSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)Cc1ccc(C#N)s1 ZINC001367847469 898012292 /nfs/dbraw/zinc/01/22/92/898012292.db2.gz VMFNURZXGPHZHD-CYBMUJFWSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC001367847469 898012302 /nfs/dbraw/zinc/01/23/02/898012302.db2.gz VMFNURZXGPHZHD-CYBMUJFWSA-N 2 1 322.478 1.898 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C#N)s1 ZINC001367847469 898012311 /nfs/dbraw/zinc/01/23/11/898012311.db2.gz VMFNURZXGPHZHD-CYBMUJFWSA-N 2 1 322.478 1.898 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001390512778 899578880 /nfs/dbraw/zinc/57/88/80/899578880.db2.gz XNYIENFTPJANEF-AWEZNQCLSA-N 2 1 302.422 1.494 20 30 DDEDMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)s1 ZINC001390719851 900012331 /nfs/dbraw/zinc/01/23/31/900012331.db2.gz QUEAEEMSGYFFAU-CHWSQXEVSA-N 2 1 320.462 1.556 20 30 DDEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001264479988 901143729 /nfs/dbraw/zinc/14/37/29/901143729.db2.gz ILRGPLCXFHOKRN-JKSUJKDBSA-N 2 1 316.449 1.904 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001265233698 901756623 /nfs/dbraw/zinc/75/66/23/901756623.db2.gz ZGDRPOQVGWWXTI-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265395276 901965385 /nfs/dbraw/zinc/96/53/85/901965385.db2.gz SHWJRVMULWENLX-IAGOWNOFSA-N 2 1 307.482 1.766 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265486596 902064779 /nfs/dbraw/zinc/06/47/79/902064779.db2.gz SDZOPIJDODQWDP-SHTZXODSSA-N 2 1 305.466 1.900 20 30 DDEDMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001391661772 902277920 /nfs/dbraw/zinc/27/79/20/902277920.db2.gz KBXNMWNNPKGDJN-IRXDYDNUSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266015796 902759409 /nfs/dbraw/zinc/75/94/09/902759409.db2.gz LJDCFVWFIWYCKP-WMLDXEAASA-N 2 1 309.429 1.270 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001391965465 902999268 /nfs/dbraw/zinc/99/92/68/902999268.db2.gz QONFMEMEYJLAQN-OAHLLOKOSA-N 2 1 316.449 1.740 20 30 DDEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001266197491 903089041 /nfs/dbraw/zinc/08/90/41/903089041.db2.gz JYDBLWGLCYYKIO-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001266197491 903089054 /nfs/dbraw/zinc/08/90/54/903089054.db2.gz JYDBLWGLCYYKIO-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001392056731 903189185 /nfs/dbraw/zinc/18/91/85/903189185.db2.gz AXGWFCDXQVKUCI-HZSPNIEDSA-N 2 1 301.862 1.906 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001316609185 904614646 /nfs/dbraw/zinc/61/46/46/904614646.db2.gz KHPCVQFZAXZREP-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nccs1 ZINC001281721606 905177445 /nfs/dbraw/zinc/17/74/45/905177445.db2.gz BWXZKDLYPDIPAO-KBPBESRZSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nccs1 ZINC001281721606 905177457 /nfs/dbraw/zinc/17/74/57/905177457.db2.gz BWXZKDLYPDIPAO-KBPBESRZSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001281940156 905331399 /nfs/dbraw/zinc/33/13/99/905331399.db2.gz PNDCCJRULKNCNU-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001281940156 905331417 /nfs/dbraw/zinc/33/14/17/905331417.db2.gz PNDCCJRULKNCNU-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001281940156 905331434 /nfs/dbraw/zinc/33/14/34/905331434.db2.gz PNDCCJRULKNCNU-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP COCC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001282663864 905932221 /nfs/dbraw/zinc/93/22/21/905932221.db2.gz YEKFGXIMRCVUDW-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001282663864 905932236 /nfs/dbraw/zinc/93/22/36/905932236.db2.gz YEKFGXIMRCVUDW-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001282663864 905932251 /nfs/dbraw/zinc/93/22/51/905932251.db2.gz YEKFGXIMRCVUDW-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1nocc1C ZINC001283616902 907683961 /nfs/dbraw/zinc/68/39/61/907683961.db2.gz BYPSFILAJYINRU-ZBFHGGJFSA-N 2 1 318.421 1.017 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)NCc1nocc1C ZINC001283616902 907683974 /nfs/dbraw/zinc/68/39/74/907683974.db2.gz BYPSFILAJYINRU-ZBFHGGJFSA-N 2 1 318.421 1.017 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284155409 908562174 /nfs/dbraw/zinc/56/21/74/908562174.db2.gz UPWYBOLPGHRRAO-ZBFHGGJFSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001284155409 908562192 /nfs/dbraw/zinc/56/21/92/908562192.db2.gz UPWYBOLPGHRRAO-ZBFHGGJFSA-N 2 1 320.437 1.363 20 30 DDEDMP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001284553478 909175816 /nfs/dbraw/zinc/17/58/16/909175816.db2.gz MXEZXIVPIZMSBH-IAGOWNOFSA-N 2 1 307.482 1.909 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001376165533 917857084 /nfs/dbraw/zinc/85/70/84/917857084.db2.gz WVLJJHMDHCPMRQ-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001376165533 917857101 /nfs/dbraw/zinc/85/71/01/917857101.db2.gz WVLJJHMDHCPMRQ-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001376165533 917857114 /nfs/dbraw/zinc/85/71/14/917857114.db2.gz WVLJJHMDHCPMRQ-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000066922157 353024908 /nfs/dbraw/zinc/02/49/08/353024908.db2.gz UMWBLYIHXRDMJD-UHFFFAOYSA-N 2 1 313.445 1.580 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066922383 353025090 /nfs/dbraw/zinc/02/50/90/353025090.db2.gz ITENLENHXHFGHP-IXDOHACOSA-N 2 1 319.493 1.814 20 30 DDEDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594447531 356219770 /nfs/dbraw/zinc/21/97/70/356219770.db2.gz YDSNZVCQSVGPQO-OAHLLOKOSA-N 2 1 324.469 1.214 20 30 DDEDMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594447530 356219939 /nfs/dbraw/zinc/21/99/39/356219939.db2.gz YDSNZVCQSVGPQO-HNNXBMFYSA-N 2 1 324.469 1.214 20 30 DDEDMP C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000599300476 357883163 /nfs/dbraw/zinc/88/31/63/357883163.db2.gz ZUVKNFCXADBAHG-DOTOQJQBSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@@H](O)COc1ccccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000599300476 357883166 /nfs/dbraw/zinc/88/31/66/357883166.db2.gz ZUVKNFCXADBAHG-DOTOQJQBSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@@H](O)COc1ccccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000599300476 357883168 /nfs/dbraw/zinc/88/31/68/357883168.db2.gz ZUVKNFCXADBAHG-DOTOQJQBSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353506263 411038866 /nfs/dbraw/zinc/03/88/66/411038866.db2.gz XNLLYOWMGATLFL-QGZVFWFLSA-N 2 1 302.422 1.039 20 30 DDEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000366340098 418460935 /nfs/dbraw/zinc/46/09/35/418460935.db2.gz OGMIAGGTDBWWKC-AWEZNQCLSA-N 2 1 302.426 1.661 20 30 DDEDMP C=CCC[C@H](O)C[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188265283 222010598 /nfs/dbraw/zinc/01/05/98/222010598.db2.gz CSELCKJJVFYQDD-RBUKOAKNSA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188265283 222010602 /nfs/dbraw/zinc/01/06/02/222010602.db2.gz CSELCKJJVFYQDD-RBUKOAKNSA-N 2 1 318.461 1.882 20 30 DDEDMP C=CCC[C@H](O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188265283 222010604 /nfs/dbraw/zinc/01/06/04/222010604.db2.gz CSELCKJJVFYQDD-RBUKOAKNSA-N 2 1 318.461 1.882 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261944840 222261664 /nfs/dbraw/zinc/26/16/64/222261664.db2.gz FMDGRJZXKDUEKR-QLFBSQMISA-N 2 1 306.458 1.292 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)c1ccccc1 ZINC000264143648 222325120 /nfs/dbraw/zinc/32/51/20/222325120.db2.gz XGPRNAUANHKQAA-MRXNPFEDSA-N 2 1 303.454 1.511 20 30 DDEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC3CC3)CC2)cs1 ZINC000262297178 222275464 /nfs/dbraw/zinc/27/54/64/222275464.db2.gz JIWQLFVMHWXMRZ-UHFFFAOYSA-N 2 1 307.467 1.730 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000263206100 222306481 /nfs/dbraw/zinc/30/64/81/222306481.db2.gz YFWJIONFFPVBQY-CQSZACIVSA-N 2 1 300.410 1.223 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2cncn2c1 ZINC000263206100 222306485 /nfs/dbraw/zinc/30/64/85/222306485.db2.gz YFWJIONFFPVBQY-CQSZACIVSA-N 2 1 300.410 1.223 20 30 DDEDMP CCCCNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264081436 222313779 /nfs/dbraw/zinc/31/37/79/222313779.db2.gz HLGBTYTXBVTEIF-MRXNPFEDSA-N 2 1 304.438 1.110 20 30 DDEDMP C[N@H+]1CCCN(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000264101286 222318305 /nfs/dbraw/zinc/31/83/05/222318305.db2.gz NZRFRJSQYTXICO-UHFFFAOYSA-N 2 1 315.465 1.539 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)Nc1ccc2c(c1)CCC2 ZINC000264112015 222320061 /nfs/dbraw/zinc/32/00/61/222320061.db2.gz OYXZHMLJMCVIBV-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000264122875 222320797 /nfs/dbraw/zinc/32/07/97/222320797.db2.gz VLTMTSOPDXGVIK-UHFFFAOYSA-N 2 1 303.454 1.248 20 30 DDEDMP N#Cc1ccc(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000377552908 418712077 /nfs/dbraw/zinc/71/20/77/418712077.db2.gz KLCLLNMJWIXDLU-KRWDZBQOSA-N 2 1 312.417 1.472 20 30 DDEDMP N#Cc1ccc(C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000377552908 418712080 /nfs/dbraw/zinc/71/20/80/418712080.db2.gz KLCLLNMJWIXDLU-KRWDZBQOSA-N 2 1 312.417 1.472 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976020 423151709 /nfs/dbraw/zinc/15/17/09/423151709.db2.gz IVLFDGXAYMCAEL-SJORKVTESA-N 2 1 305.466 1.899 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000491219149 421195771 /nfs/dbraw/zinc/19/57/71/421195771.db2.gz CPTDTHONXWNBPJ-INIZCTEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000491665245 421201361 /nfs/dbraw/zinc/20/13/61/421201361.db2.gz KHUXLLJNIWHGMM-CVEARBPZSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000491665245 421201363 /nfs/dbraw/zinc/20/13/63/421201363.db2.gz KHUXLLJNIWHGMM-CVEARBPZSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000491665245 421201365 /nfs/dbraw/zinc/20/13/65/421201365.db2.gz KHUXLLJNIWHGMM-CVEARBPZSA-N 2 1 308.470 1.361 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccccc2C#N)CC[N@@H+]1C ZINC000528397756 421485234 /nfs/dbraw/zinc/48/52/34/421485234.db2.gz RTIQEKCIHNMAQG-OIISXLGYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccccc2C#N)CC[N@H+]1C ZINC000528397756 421485238 /nfs/dbraw/zinc/48/52/38/421485238.db2.gz RTIQEKCIHNMAQG-OIISXLGYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C#N)CC[NH+]1C ZINC000528397756 421485240 /nfs/dbraw/zinc/48/52/40/421485240.db2.gz RTIQEKCIHNMAQG-OIISXLGYSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC[NH+]1C ZINC000528397756 421485243 /nfs/dbraw/zinc/48/52/43/421485243.db2.gz RTIQEKCIHNMAQG-OIISXLGYSA-N 2 1 317.433 1.712 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660704233 424750760 /nfs/dbraw/zinc/75/07/60/424750760.db2.gz AOFLZZHMQDVKDU-OAHLLOKOSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC001120589624 782041481 /nfs/dbraw/zinc/04/14/81/782041481.db2.gz DPQHSWIOSFTFNK-QGZVFWFLSA-N 2 1 320.408 1.643 20 30 DDEDMP CCN(CC)C(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272872477 276088894 /nfs/dbraw/zinc/08/88/94/276088894.db2.gz GTNQEMGZVJXWGP-MRXNPFEDSA-N 2 1 304.438 1.410 20 30 DDEDMP C[C@@H]1[C@H](CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412092604 289033583 /nfs/dbraw/zinc/03/35/83/289033583.db2.gz RINKVUROXUQFAT-BDXSIMOUSA-N 2 1 308.466 1.175 20 30 DDEDMP CC(C)(C[NH2+]Cc1cnc2c(C#N)cnn2c1)C[NH+]1CCCC1 ZINC000564985192 308015864 /nfs/dbraw/zinc/01/58/64/308015864.db2.gz FECKQLSAOSXUJE-UHFFFAOYSA-N 2 1 312.421 1.813 20 30 DDEDMP C=CCCO[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000520655535 336002268 /nfs/dbraw/zinc/00/22/68/336002268.db2.gz MTBIFDPQXCNYJS-CQSZACIVSA-N 2 1 318.421 1.753 20 30 DDEDMP N#CCNC(=O)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825343 336260161 /nfs/dbraw/zinc/26/01/61/336260161.db2.gz PHTPWBVDQCSOJB-SFHVURJKSA-N 2 1 312.417 1.224 20 30 DDEDMP C[C@@]1(O)CCC[N@@H+](CC#CC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000375359646 337009239 /nfs/dbraw/zinc/00/92/39/337009239.db2.gz DYUXPPUABUICOC-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP C[C@@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000375359646 337009240 /nfs/dbraw/zinc/00/92/40/337009240.db2.gz DYUXPPUABUICOC-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP C[C@@]1(O)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000375359646 337009241 /nfs/dbraw/zinc/00/92/41/337009241.db2.gz DYUXPPUABUICOC-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000347205621 526897628 /nfs/dbraw/zinc/89/76/28/526897628.db2.gz MASSHJPHMQIPED-MRXNPFEDSA-N 2 1 317.433 1.538 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000491337571 526925903 /nfs/dbraw/zinc/92/59/03/526925903.db2.gz BDYORADWSGRQFH-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972007309 695138290 /nfs/dbraw/zinc/13/82/90/695138290.db2.gz ZAUPEGXXKCBVRX-KRWDZBQOSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601197 695694111 /nfs/dbraw/zinc/69/41/11/695694111.db2.gz UMISHOBAHZIQSY-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601197 695694112 /nfs/dbraw/zinc/69/41/12/695694112.db2.gz UMISHOBAHZIQSY-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601197 695694113 /nfs/dbraw/zinc/69/41/13/695694113.db2.gz UMISHOBAHZIQSY-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974755412 695727674 /nfs/dbraw/zinc/72/76/74/695727674.db2.gz AKMWMWCJSVPROG-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974755412 695727671 /nfs/dbraw/zinc/72/76/71/695727671.db2.gz AKMWMWCJSVPROG-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974755412 695727672 /nfs/dbraw/zinc/72/76/72/695727672.db2.gz AKMWMWCJSVPROG-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974755412 695727673 /nfs/dbraw/zinc/72/76/73/695727673.db2.gz AKMWMWCJSVPROG-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877841 695751893 /nfs/dbraw/zinc/75/18/93/695751893.db2.gz UMADZKDIGIPEOR-CVEARBPZSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000974877841 695751894 /nfs/dbraw/zinc/75/18/94/695751894.db2.gz UMADZKDIGIPEOR-CVEARBPZSA-N 2 1 303.450 1.321 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N[C@@H]1CCC(=O)N(C)C1 ZINC000086907554 696566991 /nfs/dbraw/zinc/56/69/91/696566991.db2.gz HTAKPLSARPKVKJ-CABCVRRESA-N 2 1 323.485 1.037 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981838396 696938710 /nfs/dbraw/zinc/93/87/10/696938710.db2.gz UEFMZRUVFQABMR-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981838396 696938711 /nfs/dbraw/zinc/93/87/11/696938711.db2.gz UEFMZRUVFQABMR-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982797546 697180318 /nfs/dbraw/zinc/18/03/18/697180318.db2.gz FQZQJIQDQIEJEZ-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982797546 697180319 /nfs/dbraw/zinc/18/03/19/697180319.db2.gz FQZQJIQDQIEJEZ-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982797546 697180320 /nfs/dbraw/zinc/18/03/20/697180320.db2.gz FQZQJIQDQIEJEZ-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000986961004 697960303 /nfs/dbraw/zinc/96/03/03/697960303.db2.gz PYEJHJHOYQMRIJ-HIFRSBDPSA-N 2 1 316.405 1.096 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CCCO1 ZINC000262862779 698482134 /nfs/dbraw/zinc/48/21/34/698482134.db2.gz ZRYKPKYEPHFFML-CVEARBPZSA-N 2 1 308.470 1.867 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCC[C@@H]1C ZINC000303770221 698605834 /nfs/dbraw/zinc/60/58/34/698605834.db2.gz BQZGDSGZSWHUSG-HOTGVXAUSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCC[C@@H]1C ZINC000303770221 698605836 /nfs/dbraw/zinc/60/58/36/698605836.db2.gz BQZGDSGZSWHUSG-HOTGVXAUSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCCC[C@@H]1C ZINC000303770221 698605838 /nfs/dbraw/zinc/60/58/38/698605838.db2.gz BQZGDSGZSWHUSG-HOTGVXAUSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303873615 698608541 /nfs/dbraw/zinc/60/85/41/698608541.db2.gz CPPGCFYNOMXECI-UHFFFAOYSA-N 2 1 309.502 1.641 20 30 DDEDMP [NH2+]=C(NCCCCC1CCCC1)NCCC[NH+]1CCOCC1 ZINC000304463553 698621405 /nfs/dbraw/zinc/62/14/05/698621405.db2.gz ANGHRKWSUUESJP-UHFFFAOYSA-N 2 1 310.486 1.974 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](C[C@H](F)CC)CC2)CC1 ZINC000989734912 698745526 /nfs/dbraw/zinc/74/55/26/698745526.db2.gz KBDJWQBNBGOGFO-QGZVFWFLSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@H](F)CC)CC2)CC1 ZINC000989734912 698745527 /nfs/dbraw/zinc/74/55/27/698745527.db2.gz KBDJWQBNBGOGFO-QGZVFWFLSA-N 2 1 323.456 1.614 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792865 699160627 /nfs/dbraw/zinc/16/06/27/699160627.db2.gz WCRDLSCKQQWXSA-YFHUEUNASA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792865 699160629 /nfs/dbraw/zinc/16/06/29/699160629.db2.gz WCRDLSCKQQWXSA-YFHUEUNASA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792865 699160631 /nfs/dbraw/zinc/16/06/31/699160631.db2.gz WCRDLSCKQQWXSA-YFHUEUNASA-N 2 1 303.450 1.463 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000852854136 704148892 /nfs/dbraw/zinc/14/88/92/704148892.db2.gz CXTONYZZBZKVHY-GOSISDBHSA-N 2 1 311.429 1.380 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000884075173 708128193 /nfs/dbraw/zinc/12/81/93/708128193.db2.gz OJBLBXNBZMBHHZ-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000884075173 708128195 /nfs/dbraw/zinc/12/81/95/708128195.db2.gz OJBLBXNBZMBHHZ-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000884075173 708128197 /nfs/dbraw/zinc/12/81/97/708128197.db2.gz OJBLBXNBZMBHHZ-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000884075173 708128199 /nfs/dbraw/zinc/12/81/99/708128199.db2.gz OJBLBXNBZMBHHZ-JKSUJKDBSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000884206576 708189733 /nfs/dbraw/zinc/18/97/33/708189733.db2.gz YOGJCNNFQHKXBC-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000884206576 708189736 /nfs/dbraw/zinc/18/97/36/708189736.db2.gz YOGJCNNFQHKXBC-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884398617 708280662 /nfs/dbraw/zinc/28/06/62/708280662.db2.gz JBMFCKXKIRYDAM-CWVKQELPSA-N 2 1 304.438 1.115 20 30 DDEDMP Cc1[nH]c(C2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)CC2)[nH+]c1C ZINC000886670491 708810050 /nfs/dbraw/zinc/81/00/50/708810050.db2.gz QKQVSSHLLIYJPK-AWEZNQCLSA-N 2 1 317.437 1.967 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000890372864 709844353 /nfs/dbraw/zinc/84/43/53/709844353.db2.gz NGXIYYALAYNEDA-CVEARBPZSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000890372864 709844357 /nfs/dbraw/zinc/84/43/57/709844357.db2.gz NGXIYYALAYNEDA-CVEARBPZSA-N 2 1 306.454 1.256 20 30 DDEDMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902789641 710901273 /nfs/dbraw/zinc/90/12/73/710901273.db2.gz ISQFQOKLNFVQLN-KRWDZBQOSA-N 2 1 314.433 1.763 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928828651 713487538 /nfs/dbraw/zinc/48/75/38/713487538.db2.gz BTDIMDRAFXSDMT-IRXDYDNUSA-N 2 1 314.433 1.288 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928828651 713487540 /nfs/dbraw/zinc/48/75/40/713487540.db2.gz BTDIMDRAFXSDMT-IRXDYDNUSA-N 2 1 314.433 1.288 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000963823520 717917726 /nfs/dbraw/zinc/91/77/26/717917726.db2.gz PAJWPPSCWRSGCZ-WENYZVDWSA-N 2 1 305.466 1.920 20 30 DDEDMP CCN1CCC([N@H+]2CCCN(C[C@@H](C#N)CCC#N)CC2)CC1 ZINC000930752078 713911284 /nfs/dbraw/zinc/91/12/84/713911284.db2.gz RQFYSJUCLMOBMZ-QGZVFWFLSA-N 2 1 317.481 1.922 20 30 DDEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](O)CC#N)C2)ccn1 ZINC000931093860 713999599 /nfs/dbraw/zinc/99/95/99/713999599.db2.gz LVVNOKHBBYXBQI-NVXWUHKLSA-N 2 1 318.421 1.261 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963946394 717953101 /nfs/dbraw/zinc/95/31/01/717953101.db2.gz ADGGCHXGDKAWBV-RFSHTEQGSA-N 2 1 317.477 1.900 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000923344058 714321451 /nfs/dbraw/zinc/32/14/51/714321451.db2.gz ZFILCJIZEXKHLL-JKSUJKDBSA-N 2 1 318.465 1.691 20 30 DDEDMP C=CCC[C@H](O)C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000923344058 714321454 /nfs/dbraw/zinc/32/14/54/714321454.db2.gz ZFILCJIZEXKHLL-JKSUJKDBSA-N 2 1 318.465 1.691 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000923356783 714325709 /nfs/dbraw/zinc/32/57/09/714325709.db2.gz UOZZNLGDJQYCLO-AEFFLSMTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000923356783 714325711 /nfs/dbraw/zinc/32/57/11/714325711.db2.gz UOZZNLGDJQYCLO-AEFFLSMTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000923372816 714331985 /nfs/dbraw/zinc/33/19/85/714331985.db2.gz JXQTUMOHVXCVLU-SJORKVTESA-N 2 1 317.433 1.795 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000926142629 715013416 /nfs/dbraw/zinc/01/34/16/715013416.db2.gz SQBZXFJDMURJIF-KONPQCLYSA-N 2 1 323.481 1.090 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000959848005 716317141 /nfs/dbraw/zinc/31/71/41/716317141.db2.gz IYLHOPNEHUNYMJ-BARDWOONSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000959848005 716317144 /nfs/dbraw/zinc/31/71/44/716317144.db2.gz IYLHOPNEHUNYMJ-BARDWOONSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959848005 716317149 /nfs/dbraw/zinc/31/71/49/716317149.db2.gz IYLHOPNEHUNYMJ-BARDWOONSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC000959848005 716317153 /nfs/dbraw/zinc/31/71/53/716317153.db2.gz IYLHOPNEHUNYMJ-BARDWOONSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960178747 716442369 /nfs/dbraw/zinc/44/23/69/716442369.db2.gz ZAURPDYLZYMJPA-BARDWOONSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000960178747 716442375 /nfs/dbraw/zinc/44/23/75/716442375.db2.gz ZAURPDYLZYMJPA-BARDWOONSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000960178747 716442377 /nfs/dbraw/zinc/44/23/77/716442377.db2.gz ZAURPDYLZYMJPA-BARDWOONSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC000960178747 716442385 /nfs/dbraw/zinc/44/23/85/716442385.db2.gz ZAURPDYLZYMJPA-BARDWOONSA-N 2 1 311.857 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC1 ZINC000960678322 716654335 /nfs/dbraw/zinc/65/43/35/716654335.db2.gz ZGAKGNUQBCMGSC-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960678322 716654338 /nfs/dbraw/zinc/65/43/38/716654338.db2.gz ZGAKGNUQBCMGSC-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCC1 ZINC000960678322 716654340 /nfs/dbraw/zinc/65/43/40/716654340.db2.gz ZGAKGNUQBCMGSC-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CCC1 ZINC000960678322 716654342 /nfs/dbraw/zinc/65/43/42/716654342.db2.gz ZGAKGNUQBCMGSC-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC000961267108 716888446 /nfs/dbraw/zinc/88/84/46/716888446.db2.gz XLHGGUMUVYELPH-LSDHHAIUSA-N 2 1 300.406 1.146 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961342299 716917609 /nfs/dbraw/zinc/91/76/09/716917609.db2.gz LLKDJISMSKLSDE-LTIDMASMSA-N 2 1 303.450 1.483 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743449 716940114 /nfs/dbraw/zinc/94/01/14/716940114.db2.gz ACNJSGBLSIJERC-JKSUJKDBSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753950 716945880 /nfs/dbraw/zinc/94/58/80/716945880.db2.gz RIJASEXXBGYIIA-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753950 716945881 /nfs/dbraw/zinc/94/58/81/716945881.db2.gz RIJASEXXBGYIIA-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753950 716945882 /nfs/dbraw/zinc/94/58/82/716945882.db2.gz RIJASEXXBGYIIA-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000961443212 716948856 /nfs/dbraw/zinc/94/88/56/716948856.db2.gz UTAINZDRGSLUHK-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443212 716948860 /nfs/dbraw/zinc/94/88/60/716948860.db2.gz UTAINZDRGSLUHK-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000961443212 716948863 /nfs/dbraw/zinc/94/88/63/716948863.db2.gz UTAINZDRGSLUHK-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961962465 717262051 /nfs/dbraw/zinc/26/20/51/717262051.db2.gz SRNBGQLNIOOPIP-NCOADZHNSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)CC)C[C@H]32)CC1 ZINC000962775438 717584096 /nfs/dbraw/zinc/58/40/96/717584096.db2.gz NAGNMYYZVKBOBN-BGTYHANMSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000963319161 717740355 /nfs/dbraw/zinc/74/03/55/717740355.db2.gz IWWJTATYLUTSQM-OFLPRAFFSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963416988 717782134 /nfs/dbraw/zinc/78/21/34/717782134.db2.gz NAKPJBDYZSAFEA-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623372 718856512 /nfs/dbraw/zinc/85/65/12/718856512.db2.gz JOJRKAOHBFMDQX-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623372 718856516 /nfs/dbraw/zinc/85/65/16/718856516.db2.gz JOJRKAOHBFMDQX-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623372 718856520 /nfs/dbraw/zinc/85/65/20/718856520.db2.gz JOJRKAOHBFMDQX-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856640 718928078 /nfs/dbraw/zinc/92/80/78/718928078.db2.gz LLTHDHPGRVSTNV-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856640 718928080 /nfs/dbraw/zinc/92/80/80/718928080.db2.gz LLTHDHPGRVSTNV-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856640 718928083 /nfs/dbraw/zinc/92/80/83/718928083.db2.gz LLTHDHPGRVSTNV-OKZBNKHCSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919804 719868689 /nfs/dbraw/zinc/86/86/89/719868689.db2.gz LBFWQTBTGVTWSU-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919804 719868694 /nfs/dbraw/zinc/86/86/94/719868694.db2.gz LBFWQTBTGVTWSU-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919804 719868701 /nfs/dbraw/zinc/86/87/01/719868701.db2.gz LBFWQTBTGVTWSU-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919804 719868711 /nfs/dbraw/zinc/86/87/11/719868711.db2.gz LBFWQTBTGVTWSU-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000968998030 719917798 /nfs/dbraw/zinc/91/77/98/719917798.db2.gz JHMAYASIYSVUGD-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC000949189098 719949040 /nfs/dbraw/zinc/94/90/40/719949040.db2.gz HKJIDOQHJMOECA-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528436 720798319 /nfs/dbraw/zinc/79/83/19/720798319.db2.gz FPHRKRIXTIZSFH-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000970712803 720903072 /nfs/dbraw/zinc/90/30/72/720903072.db2.gz SVXBQLSJCWNOKR-CHWSQXEVSA-N 2 1 318.446 1.262 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719857 720907981 /nfs/dbraw/zinc/90/79/81/720907981.db2.gz WGMDZIDDLFCICN-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719857 720907983 /nfs/dbraw/zinc/90/79/83/720907983.db2.gz WGMDZIDDLFCICN-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971553832 721353069 /nfs/dbraw/zinc/35/30/69/721353069.db2.gz VJERYULFRVTASX-LSDHHAIUSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000971553832 721353072 /nfs/dbraw/zinc/35/30/72/721353072.db2.gz VJERYULFRVTASX-LSDHHAIUSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552799 735307488 /nfs/dbraw/zinc/30/74/88/735307488.db2.gz NTSIGHUAWRWNDN-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552799 735307492 /nfs/dbraw/zinc/30/74/92/735307492.db2.gz NTSIGHUAWRWNDN-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552799 735307493 /nfs/dbraw/zinc/30/74/93/735307493.db2.gz NTSIGHUAWRWNDN-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001027602234 738453792 /nfs/dbraw/zinc/45/37/92/738453792.db2.gz OEQDTQGWRYAVNC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602234 738453793 /nfs/dbraw/zinc/45/37/93/738453793.db2.gz OEQDTQGWRYAVNC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001027602234 738453794 /nfs/dbraw/zinc/45/37/94/738453794.db2.gz OEQDTQGWRYAVNC-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001021285910 733108080 /nfs/dbraw/zinc/10/80/80/733108080.db2.gz WZDBFFLFNQUEAL-HMQMGEFJSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001021285910 733108084 /nfs/dbraw/zinc/10/80/84/733108084.db2.gz WZDBFFLFNQUEAL-HMQMGEFJSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001021285910 733108086 /nfs/dbraw/zinc/10/80/86/733108086.db2.gz WZDBFFLFNQUEAL-HMQMGEFJSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC ZINC001021285910 733108091 /nfs/dbraw/zinc/10/80/91/733108091.db2.gz WZDBFFLFNQUEAL-HMQMGEFJSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021717021 733480820 /nfs/dbraw/zinc/48/08/20/733480820.db2.gz NQCMYIOSKAKFOM-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832452 733512407 /nfs/dbraw/zinc/51/24/07/733512407.db2.gz YXJQPYNUBHUZOW-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884518 738771831 /nfs/dbraw/zinc/77/18/31/738771831.db2.gz AMKXCCBKSYFUFY-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001027897426 738785383 /nfs/dbraw/zinc/78/53/83/738785383.db2.gz NGMSMMCUFBWEOU-CJNGLKHVSA-N 2 1 317.437 1.557 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027930793 738826699 /nfs/dbraw/zinc/82/66/99/738826699.db2.gz VJFWGJRNGWLKFS-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027930793 738826703 /nfs/dbraw/zinc/82/67/03/738826703.db2.gz VJFWGJRNGWLKFS-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001023366940 735202842 /nfs/dbraw/zinc/20/28/42/735202842.db2.gz UANQSFLHUHGGQH-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023366940 735202843 /nfs/dbraw/zinc/20/28/43/735202843.db2.gz UANQSFLHUHGGQH-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001023366940 735202844 /nfs/dbraw/zinc/20/28/44/735202844.db2.gz UANQSFLHUHGGQH-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001025450695 736677051 /nfs/dbraw/zinc/67/70/51/736677051.db2.gz LMQVYFISHLSKGR-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC001025624066 736793179 /nfs/dbraw/zinc/79/31/79/736793179.db2.gz AYGPTMZNLVQIAG-FUHWJXTLSA-N 2 1 315.461 1.182 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026140045 737139860 /nfs/dbraw/zinc/13/98/60/737139860.db2.gz BQIOJZNNYGFRKT-ALYAQQCSSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001167737376 737360840 /nfs/dbraw/zinc/36/08/40/737360840.db2.gz QXMSTXDMIBKKHN-MRXNPFEDSA-N 2 1 323.481 1.407 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]12 ZINC001026361096 737419800 /nfs/dbraw/zinc/41/98/00/737419800.db2.gz OGVYQTXBZZPERD-OWCLPIDISA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001026550814 737655352 /nfs/dbraw/zinc/65/53/52/737655352.db2.gz WWTSOTUVPYXSHX-FHERZECASA-N 2 1 314.433 1.404 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027444246 738298277 /nfs/dbraw/zinc/29/82/77/738298277.db2.gz QIRYLEUDSJGOES-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027444246 738298278 /nfs/dbraw/zinc/29/82/78/738298278.db2.gz QIRYLEUDSJGOES-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001027444246 738298279 /nfs/dbraw/zinc/29/82/79/738298279.db2.gz QIRYLEUDSJGOES-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027979758 738901274 /nfs/dbraw/zinc/90/12/74/738901274.db2.gz ABXOOSRZXWZUSU-CABCVRRESA-N 2 1 302.422 1.602 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137822 739079531 /nfs/dbraw/zinc/07/95/31/739079531.db2.gz NFBVGFYNHYPUQF-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137822 739079534 /nfs/dbraw/zinc/07/95/34/739079534.db2.gz NFBVGFYNHYPUQF-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028595304 739764358 /nfs/dbraw/zinc/76/43/58/739764358.db2.gz XGXQHDMUROYTKU-HUUCEWRRSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001028595304 739764360 /nfs/dbraw/zinc/76/43/60/739764360.db2.gz XGXQHDMUROYTKU-HUUCEWRRSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1CC ZINC001087602508 740672889 /nfs/dbraw/zinc/67/28/89/740672889.db2.gz SIVHVRFGHXXSKD-KSZLIROESA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1CC ZINC001087602508 740672892 /nfs/dbraw/zinc/67/28/92/740672892.db2.gz SIVHVRFGHXXSKD-KSZLIROESA-N 2 1 317.477 1.996 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3nccn32)[C@H]1CC ZINC001087602163 740673038 /nfs/dbraw/zinc/67/30/38/740673038.db2.gz BMSUDVCNZKHJET-ZNMIVQPWSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087602163 740673042 /nfs/dbraw/zinc/67/30/42/740673042.db2.gz BMSUDVCNZKHJET-ZNMIVQPWSA-N 2 1 302.422 1.916 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630256 740683504 /nfs/dbraw/zinc/68/35/04/740683504.db2.gz AQRUDILJJZNJJJ-OWCLPIDISA-N 2 1 314.433 1.438 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998178123 751570496 /nfs/dbraw/zinc/57/04/96/751570496.db2.gz ZJJDJFFUWQKYAL-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087798757 740754105 /nfs/dbraw/zinc/75/41/05/740754105.db2.gz JVHLBIROHCHCHP-LSDHHAIUSA-N 2 1 300.406 1.364 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@H]2C1 ZINC001087920589 740855067 /nfs/dbraw/zinc/85/50/67/740855067.db2.gz UTJUYQMXNZMMIA-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@H]2C1 ZINC001087920589 740855069 /nfs/dbraw/zinc/85/50/69/740855069.db2.gz UTJUYQMXNZMMIA-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920589 740855073 /nfs/dbraw/zinc/85/50/73/740855073.db2.gz UTJUYQMXNZMMIA-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@H]2C1 ZINC001087920589 740855075 /nfs/dbraw/zinc/85/50/75/740855075.db2.gz UTJUYQMXNZMMIA-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075875892 741444124 /nfs/dbraw/zinc/44/41/24/741444124.db2.gz IMVZTEHABSOVQT-RCCFBDPRSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577461 742124543 /nfs/dbraw/zinc/12/45/43/742124543.db2.gz VAFJEZJMXBAFDZ-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC001088737083 742265822 /nfs/dbraw/zinc/26/58/22/742265822.db2.gz AJNGIBODWDNIAT-HIFRSBDPSA-N 2 1 311.389 1.646 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904051 743386951 /nfs/dbraw/zinc/38/69/51/743386951.db2.gz PPPVZEBOFRWLLD-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001151147804 743581442 /nfs/dbraw/zinc/58/14/42/743581442.db2.gz XLJGWFWWZJYCRB-UHFFFAOYSA-N 2 1 303.391 1.031 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001182368942 743593678 /nfs/dbraw/zinc/59/36/78/743593678.db2.gz NBJPTVLCZKTBOG-MUQADHOPSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001182623167 743674093 /nfs/dbraw/zinc/67/40/93/743674093.db2.gz FMDNZMCDVULGBX-VQIMIIECSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183255702 743810716 /nfs/dbraw/zinc/81/07/16/743810716.db2.gz NKEJQVMXNZMIEL-HUUCEWRRSA-N 2 1 318.421 1.154 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184434153 744043523 /nfs/dbraw/zinc/04/35/23/744043523.db2.gz RYBVQKXXXVLNRG-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184434154 744043548 /nfs/dbraw/zinc/04/35/48/744043548.db2.gz RYBVQKXXXVLNRG-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188674010 744754226 /nfs/dbraw/zinc/75/42/26/744754226.db2.gz WZQBKXNTJLQUAD-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992405657 744858581 /nfs/dbraw/zinc/85/85/81/744858581.db2.gz HAVRCGZWUYFVDA-CRAIPNDOSA-N 2 1 303.450 1.772 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992414293 744864443 /nfs/dbraw/zinc/86/44/43/744864443.db2.gz WYYMYAHCJUUQAJ-CRAIPNDOSA-N 2 1 303.450 1.772 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3C)[C@@H]2C1 ZINC001189432528 744895484 /nfs/dbraw/zinc/89/54/84/744895484.db2.gz DKWJYNCBFBMANT-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189432528 744895488 /nfs/dbraw/zinc/89/54/88/744895488.db2.gz DKWJYNCBFBMANT-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189432528 744895492 /nfs/dbraw/zinc/89/54/92/744895492.db2.gz DKWJYNCBFBMANT-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189907104 745023877 /nfs/dbraw/zinc/02/38/77/745023877.db2.gz UXCHFGSUHRBLLX-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000992924710 745294852 /nfs/dbraw/zinc/29/48/52/745294852.db2.gz XUWWQTQTBUSBNB-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001190724942 745306511 /nfs/dbraw/zinc/30/65/11/745306511.db2.gz NXCSYDSFLNXLGO-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCC(=C)C)C1 ZINC001190724942 745306517 /nfs/dbraw/zinc/30/65/17/745306517.db2.gz NXCSYDSFLNXLGO-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001190724942 745306522 /nfs/dbraw/zinc/30/65/22/745306522.db2.gz NXCSYDSFLNXLGO-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(=C)C)C1 ZINC001190724942 745306527 /nfs/dbraw/zinc/30/65/27/745306527.db2.gz NXCSYDSFLNXLGO-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCC(=C)C)C1 ZINC001190724942 745306535 /nfs/dbraw/zinc/30/65/35/745306535.db2.gz NXCSYDSFLNXLGO-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001192141156 745709474 /nfs/dbraw/zinc/70/94/74/745709474.db2.gz BVURKBREXABUQS-GOSISDBHSA-N 2 1 313.445 1.523 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192604416 745839832 /nfs/dbraw/zinc/83/98/32/745839832.db2.gz LWCRZQMOVTWDCF-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192604416 745839836 /nfs/dbraw/zinc/83/98/36/745839836.db2.gz LWCRZQMOVTWDCF-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193204771 746012073 /nfs/dbraw/zinc/01/20/73/746012073.db2.gz JXKFWFWKUYLUBV-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462187 746110274 /nfs/dbraw/zinc/11/02/74/746110274.db2.gz LUEMHCBLAYJEMZ-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193462187 746110276 /nfs/dbraw/zinc/11/02/76/746110276.db2.gz LUEMHCBLAYJEMZ-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193462187 746110280 /nfs/dbraw/zinc/11/02/80/746110280.db2.gz LUEMHCBLAYJEMZ-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001194430808 746384393 /nfs/dbraw/zinc/38/43/93/746384393.db2.gz OXHRQOOWZCZTRI-HZPDHXFCSA-N 2 1 314.389 1.075 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001195548483 746642226 /nfs/dbraw/zinc/64/22/26/746642226.db2.gz AIIZDIWGUDNWGN-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001195548483 746642232 /nfs/dbraw/zinc/64/22/32/746642232.db2.gz AIIZDIWGUDNWGN-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001195548483 746642234 /nfs/dbraw/zinc/64/22/34/746642234.db2.gz AIIZDIWGUDNWGN-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003775113 747485026 /nfs/dbraw/zinc/48/50/26/747485026.db2.gz NMIUISSOMLSHGP-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820112 747969832 /nfs/dbraw/zinc/96/98/32/747969832.db2.gz KRMVYQJKXAXMNT-YVSFHVDLSA-N 2 1 317.477 1.826 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033082965 748219466 /nfs/dbraw/zinc/21/94/66/748219466.db2.gz VZVSYYXMQQYZLL-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001033082965 748219471 /nfs/dbraw/zinc/21/94/71/748219471.db2.gz VZVSYYXMQQYZLL-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001033082965 748219476 /nfs/dbraw/zinc/21/94/76/748219476.db2.gz VZVSYYXMQQYZLL-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976294 748384524 /nfs/dbraw/zinc/38/45/24/748384524.db2.gz PYPNASXTBAURGR-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOC(C)C)CC1 ZINC001201094370 748409300 /nfs/dbraw/zinc/40/93/00/748409300.db2.gz RKMAWLUZPAUHPQ-KRWDZBQOSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOC(C)C)CC1 ZINC001201094370 748409302 /nfs/dbraw/zinc/40/93/02/748409302.db2.gz RKMAWLUZPAUHPQ-KRWDZBQOSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201402340 748498388 /nfs/dbraw/zinc/49/83/88/748498388.db2.gz COLVMJBPGUAWBM-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCCO1 ZINC001201411489 748506712 /nfs/dbraw/zinc/50/67/12/748506712.db2.gz RQNUZWCAFAAMFS-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCCO1 ZINC001201925349 748628311 /nfs/dbraw/zinc/62/83/11/748628311.db2.gz ZHOQOGIVFIZKRG-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060452 748672721 /nfs/dbraw/zinc/67/27/21/748672721.db2.gz YGBZZPZBUFJLBU-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007722767 752294210 /nfs/dbraw/zinc/29/42/10/752294210.db2.gz KMYPMIGCLGGJTK-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007722767 752294211 /nfs/dbraw/zinc/29/42/11/752294211.db2.gz KMYPMIGCLGGJTK-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202164493 748701878 /nfs/dbraw/zinc/70/18/78/748701878.db2.gz PTORIWNHFVOLDI-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202164493 748701879 /nfs/dbraw/zinc/70/18/79/748701879.db2.gz PTORIWNHFVOLDI-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039012 748801500 /nfs/dbraw/zinc/80/15/00/748801500.db2.gz LIBQNOIXGUMSIX-NXHRZFHOSA-N 2 1 313.445 1.607 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416686 749314291 /nfs/dbraw/zinc/31/42/91/749314291.db2.gz QPQQPQCRYYAHNC-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416686 749314294 /nfs/dbraw/zinc/31/42/94/749314294.db2.gz QPQQPQCRYYAHNC-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1(C)C ZINC000996042253 749350356 /nfs/dbraw/zinc/35/03/56/749350356.db2.gz LHELYDSWUHUKLB-MRXNPFEDSA-N 2 1 314.433 1.222 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349795 761968883 /nfs/dbraw/zinc/96/88/83/761968883.db2.gz ORCIMHOVDXUCKV-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108349795 761968890 /nfs/dbraw/zinc/96/88/90/761968890.db2.gz ORCIMHOVDXUCKV-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856203 749995293 /nfs/dbraw/zinc/99/52/93/749995293.db2.gz SAKNJFVPRHHJGI-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033856203 749995295 /nfs/dbraw/zinc/99/52/95/749995295.db2.gz SAKNJFVPRHHJGI-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546956 750117128 /nfs/dbraw/zinc/11/71/28/750117128.db2.gz UWPJNFJIMAHLTP-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546956 750117132 /nfs/dbraw/zinc/11/71/32/750117132.db2.gz UWPJNFJIMAHLTP-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546956 750117135 /nfs/dbraw/zinc/11/71/35/750117135.db2.gz UWPJNFJIMAHLTP-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099585430 750529761 /nfs/dbraw/zinc/52/97/61/750529761.db2.gz UCKKAWBCCAKNRM-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942436 750752420 /nfs/dbraw/zinc/75/24/20/750752420.db2.gz SGGNHLFEXMMDRP-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942436 750752426 /nfs/dbraw/zinc/75/24/26/750752426.db2.gz SGGNHLFEXMMDRP-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942436 750752432 /nfs/dbraw/zinc/75/24/32/750752432.db2.gz SGGNHLFEXMMDRP-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107953382 750850808 /nfs/dbraw/zinc/85/08/08/750850808.db2.gz ZODBHWPSPPOSJE-LZLYRXPVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953382 750850814 /nfs/dbraw/zinc/85/08/14/750850814.db2.gz ZODBHWPSPPOSJE-LZLYRXPVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107953382 750850822 /nfs/dbraw/zinc/85/08/22/750850822.db2.gz ZODBHWPSPPOSJE-LZLYRXPVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001032493255 751050938 /nfs/dbraw/zinc/05/09/38/751050938.db2.gz QOQGTXANHSNSSK-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001032493255 751050945 /nfs/dbraw/zinc/05/09/45/751050945.db2.gz QOQGTXANHSNSSK-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493255 751050950 /nfs/dbraw/zinc/05/09/50/751050950.db2.gz QOQGTXANHSNSSK-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032493255 751050956 /nfs/dbraw/zinc/05/09/56/751050956.db2.gz QOQGTXANHSNSSK-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC=C)C2)CC1 ZINC001009624842 753285873 /nfs/dbraw/zinc/28/58/73/753285873.db2.gz ADFZOIQEZJTXBO-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001005986095 753461828 /nfs/dbraw/zinc/46/18/28/753461828.db2.gz JAYZVUWVWICPCZ-HNNXBMFYSA-N 2 1 314.433 1.310 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078682072 754299275 /nfs/dbraw/zinc/29/92/75/754299275.db2.gz DILRFEJFPPTKNK-UONOGXRCSA-N 2 1 322.840 1.961 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001079846609 755607770 /nfs/dbraw/zinc/60/77/70/755607770.db2.gz VHOHXIZHSOKZDL-RBSFLKMASA-N 2 1 302.422 1.773 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001079846609 755607772 /nfs/dbraw/zinc/60/77/72/755607772.db2.gz VHOHXIZHSOKZDL-RBSFLKMASA-N 2 1 302.422 1.773 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188480 755756067 /nfs/dbraw/zinc/75/60/67/755756067.db2.gz IJTIXLJKRFGDMJ-OIISXLGYSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080447026 755923071 /nfs/dbraw/zinc/92/30/71/755923071.db2.gz UWEYCGYMKBZSPC-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080447026 755923072 /nfs/dbraw/zinc/92/30/72/755923072.db2.gz UWEYCGYMKBZSPC-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC001080992466 756178930 /nfs/dbraw/zinc/17/89/30/756178930.db2.gz LMHGXPNODSVVFB-SJLPKXTDSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040265273 762468533 /nfs/dbraw/zinc/46/85/33/762468533.db2.gz XPXHICIUYKNIQZ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040265273 762468535 /nfs/dbraw/zinc/46/85/35/762468535.db2.gz XPXHICIUYKNIQZ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040265273 762468538 /nfs/dbraw/zinc/46/85/38/762468538.db2.gz XPXHICIUYKNIQZ-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H](OC)C1 ZINC001082053054 756607663 /nfs/dbraw/zinc/60/76/63/756607663.db2.gz VVRPBTKNJNLRMQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082053054 756607667 /nfs/dbraw/zinc/60/76/67/756607667.db2.gz VVRPBTKNJNLRMQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053054 756607670 /nfs/dbraw/zinc/60/76/70/756607670.db2.gz VVRPBTKNJNLRMQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082053054 756607673 /nfs/dbraw/zinc/60/76/73/756607673.db2.gz VVRPBTKNJNLRMQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097218972 756988430 /nfs/dbraw/zinc/98/84/30/756988430.db2.gz OAGLYIYVHNJYBW-TVFCKZIOSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097218972 756988435 /nfs/dbraw/zinc/98/84/35/756988435.db2.gz OAGLYIYVHNJYBW-TVFCKZIOSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097218972 756988440 /nfs/dbraw/zinc/98/84/40/756988440.db2.gz OAGLYIYVHNJYBW-TVFCKZIOSA-N 2 1 317.477 1.994 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393783 757022291 /nfs/dbraw/zinc/02/22/91/757022291.db2.gz QAZXYTNWJTXXPV-JKSUJKDBSA-N 2 1 321.465 1.132 20 30 DDEDMP C=CCCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822091 758850938 /nfs/dbraw/zinc/85/09/38/758850938.db2.gz GALBCIICKDKVGU-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822091 758850956 /nfs/dbraw/zinc/85/09/56/758850956.db2.gz GALBCIICKDKVGU-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053927215 758963974 /nfs/dbraw/zinc/96/39/74/758963974.db2.gz VWXNZVHCIJAFEJ-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053927215 758963980 /nfs/dbraw/zinc/96/39/80/758963980.db2.gz VWXNZVHCIJAFEJ-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145884 759223664 /nfs/dbraw/zinc/22/36/64/759223664.db2.gz ZGFPUJRMYCSCSY-AEFFLSMTSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085308950 759252203 /nfs/dbraw/zinc/25/22/03/759252203.db2.gz QQUHMGXODWYEKZ-OAGGEKHMSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085308950 759252206 /nfs/dbraw/zinc/25/22/06/759252206.db2.gz QQUHMGXODWYEKZ-OAGGEKHMSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848192 762703805 /nfs/dbraw/zinc/70/38/05/762703805.db2.gz FUIMRWCWKVRYAB-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054240717 759330606 /nfs/dbraw/zinc/33/06/06/759330606.db2.gz ZTNBOJUYSUBVEB-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240717 759330617 /nfs/dbraw/zinc/33/06/17/759330617.db2.gz ZTNBOJUYSUBVEB-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240717 759330622 /nfs/dbraw/zinc/33/06/22/759330622.db2.gz ZTNBOJUYSUBVEB-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598419 759811735 /nfs/dbraw/zinc/81/17/35/759811735.db2.gz SNZHTIMBMFHKKW-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001085598419 759811745 /nfs/dbraw/zinc/81/17/45/759811745.db2.gz SNZHTIMBMFHKKW-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001085598419 759811756 /nfs/dbraw/zinc/81/17/56/759811756.db2.gz SNZHTIMBMFHKKW-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001085598419 759811763 /nfs/dbraw/zinc/81/17/63/759811763.db2.gz SNZHTIMBMFHKKW-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001000333342 761649229 /nfs/dbraw/zinc/64/92/29/761649229.db2.gz NNWWINKQXVCFBG-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCN1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001108280662 761690227 /nfs/dbraw/zinc/69/02/27/761690227.db2.gz WXCISRJAPCNJJU-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001086516231 761798348 /nfs/dbraw/zinc/79/83/48/761798348.db2.gz CYVKPCJDHUFUDM-CTYIDZIISA-N 2 1 311.389 1.551 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041679848 763217846 /nfs/dbraw/zinc/21/78/46/763217846.db2.gz PEMNTHJEDCAXEW-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679848 763217854 /nfs/dbraw/zinc/21/78/54/763217854.db2.gz PEMNTHJEDCAXEW-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679848 763217862 /nfs/dbraw/zinc/21/78/62/763217862.db2.gz PEMNTHJEDCAXEW-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183470 763280115 /nfs/dbraw/zinc/28/01/15/763280115.db2.gz BQRPVBGXZSKICD-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183470 763280121 /nfs/dbraw/zinc/28/01/21/763280121.db2.gz BQRPVBGXZSKICD-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183470 763280127 /nfs/dbraw/zinc/28/01/27/763280127.db2.gz BQRPVBGXZSKICD-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](CC)C[C@H]32)CC1 ZINC001050208181 763324030 /nfs/dbraw/zinc/32/40/30/763324030.db2.gz FKDKZESBAWFSCY-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001050546656 763738599 /nfs/dbraw/zinc/73/85/99/763738599.db2.gz PZPSWWIRLTZOHI-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042187786 763755625 /nfs/dbraw/zinc/75/56/25/763755625.db2.gz OKNCLUOITKTLOI-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256967 763828561 /nfs/dbraw/zinc/82/85/61/763828561.db2.gz BPZYLNQRXGWGRK-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042718021 764383251 /nfs/dbraw/zinc/38/32/51/764383251.db2.gz DTSDUERSQXNJPZ-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CCC[N@@H+]3C)cccc2C1 ZINC001051284043 764709771 /nfs/dbraw/zinc/70/97/71/764709771.db2.gz XDZQLMJLUKNYHG-SFHVURJKSA-N 2 1 313.445 1.941 20 30 DDEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051284043 764709778 /nfs/dbraw/zinc/70/97/78/764709778.db2.gz XDZQLMJLUKNYHG-SFHVURJKSA-N 2 1 313.445 1.941 20 30 DDEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CCC[NH+]3C)cccc2C1 ZINC001051284043 764709788 /nfs/dbraw/zinc/70/97/88/764709788.db2.gz XDZQLMJLUKNYHG-SFHVURJKSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043627 766700043 /nfs/dbraw/zinc/70/00/43/766700043.db2.gz OCMRXDHNDYNILQ-KURKYZTESA-N 2 1 311.429 1.717 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001098043627 766700045 /nfs/dbraw/zinc/70/00/45/766700045.db2.gz OCMRXDHNDYNILQ-KURKYZTESA-N 2 1 311.429 1.717 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001045964120 766744257 /nfs/dbraw/zinc/74/42/57/766744257.db2.gz ZEKNPTPXEDMQKW-IEBWSBKVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001046331007 767430251 /nfs/dbraw/zinc/43/02/51/767430251.db2.gz ZJCCQDMTJAUVNL-WBVHZDCISA-N 2 1 317.437 1.557 20 30 DDEDMP C=CCN1CC[C@](C)(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001046331007 767430255 /nfs/dbraw/zinc/43/02/55/767430255.db2.gz ZJCCQDMTJAUVNL-WBVHZDCISA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1C ZINC001132127757 768639813 /nfs/dbraw/zinc/63/98/13/768639813.db2.gz CPZCSAIVRCGENF-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132153462 768650034 /nfs/dbraw/zinc/65/00/34/768650034.db2.gz QTVIAMSNGJDMPO-HZPDHXFCSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132153462 768650041 /nfs/dbraw/zinc/65/00/41/768650041.db2.gz QTVIAMSNGJDMPO-HZPDHXFCSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132153462 768650048 /nfs/dbraw/zinc/65/00/48/768650048.db2.gz QTVIAMSNGJDMPO-HZPDHXFCSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132153462 768650052 /nfs/dbraw/zinc/65/00/52/768650052.db2.gz QTVIAMSNGJDMPO-HZPDHXFCSA-N 2 1 323.481 1.336 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCc2nccn2C)CC[C@H]1C ZINC001132194698 768664865 /nfs/dbraw/zinc/66/48/65/768664865.db2.gz DBSOHYGFVWTIFC-CABCVRRESA-N 2 1 302.422 1.345 20 30 DDEDMP CC#CCN1C[C@@H](NC(=O)CCc2nccn2C)CC[C@H]1C ZINC001132194698 768664868 /nfs/dbraw/zinc/66/48/68/768664868.db2.gz DBSOHYGFVWTIFC-CABCVRRESA-N 2 1 302.422 1.345 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132360530 768785736 /nfs/dbraw/zinc/78/57/36/768785736.db2.gz UFMSQFXREYXXLN-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132360530 768785740 /nfs/dbraw/zinc/78/57/40/768785740.db2.gz UFMSQFXREYXXLN-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132937694 769334618 /nfs/dbraw/zinc/33/46/18/769334618.db2.gz NNTZAPDKZBMMHY-HOTGVXAUSA-N 2 1 307.482 1.814 20 30 DDEDMP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001133853955 770340509 /nfs/dbraw/zinc/34/05/09/770340509.db2.gz UYMAPPHLIHUEAH-CYBMUJFWSA-N 2 1 318.396 1.245 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001133853955 770340521 /nfs/dbraw/zinc/34/05/21/770340521.db2.gz UYMAPPHLIHUEAH-CYBMUJFWSA-N 2 1 318.396 1.245 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001133869648 770390599 /nfs/dbraw/zinc/39/05/99/770390599.db2.gz IDPXNEXACHTZFN-IUODEOHRSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049636394 771039380 /nfs/dbraw/zinc/03/93/80/771039380.db2.gz BYDMJZYOTBPECD-CVEARBPZSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671909 771071509 /nfs/dbraw/zinc/07/15/09/771071509.db2.gz OEBXQEDCXCXDJE-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671909 771071513 /nfs/dbraw/zinc/07/15/13/771071513.db2.gz OEBXQEDCXCXDJE-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899975 771244451 /nfs/dbraw/zinc/24/44/51/771244451.db2.gz HUUAEDKNMSOJRW-HOTGVXAUSA-N 2 1 300.406 1.280 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899975 771244452 /nfs/dbraw/zinc/24/44/52/771244452.db2.gz HUUAEDKNMSOJRW-HOTGVXAUSA-N 2 1 300.406 1.280 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049904771 771248706 /nfs/dbraw/zinc/24/87/06/771248706.db2.gz RIPDGQVJUXHQHT-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049904771 771248708 /nfs/dbraw/zinc/24/87/08/771248708.db2.gz RIPDGQVJUXHQHT-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904771 771248709 /nfs/dbraw/zinc/24/87/09/771248709.db2.gz RIPDGQVJUXHQHT-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904771 771248711 /nfs/dbraw/zinc/24/87/11/771248711.db2.gz RIPDGQVJUXHQHT-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914037 771254304 /nfs/dbraw/zinc/25/43/04/771254304.db2.gz LNGCQMYNVINEBS-ZWKOTPCHSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914034 771254842 /nfs/dbraw/zinc/25/48/42/771254842.db2.gz LNGCQMYNVINEBS-MSOLQXFVSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](CC#C)CC1 ZINC001049921256 771262893 /nfs/dbraw/zinc/26/28/93/771262893.db2.gz WBFYHSGVVNTXHJ-ROUUACIJSA-N 2 1 313.445 1.030 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(N(C)C)cc(C)[nH+]1 ZINC001171067777 772222195 /nfs/dbraw/zinc/22/21/95/772222195.db2.gz PFQIORLPOVVUHT-ZDUSSCGKSA-N 2 1 321.425 1.490 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001091232425 772630693 /nfs/dbraw/zinc/63/06/93/772630693.db2.gz OQJIEHQHCVEEJK-PCKAHOCUSA-N 2 1 316.449 1.814 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001073605659 773206969 /nfs/dbraw/zinc/20/69/69/773206969.db2.gz QGMYNZLQQUYWMN-IRXDYDNUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627497 773237745 /nfs/dbraw/zinc/23/77/45/773237745.db2.gz XEWFIHFACMOATR-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627497 773237748 /nfs/dbraw/zinc/23/77/48/773237748.db2.gz XEWFIHFACMOATR-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627497 773237754 /nfs/dbraw/zinc/23/77/54/773237754.db2.gz XEWFIHFACMOATR-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001147878284 773284411 /nfs/dbraw/zinc/28/44/11/773284411.db2.gz XILBUGZDWFXWMP-ZDUSSCGKSA-N 2 1 318.396 1.245 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001147878284 773284413 /nfs/dbraw/zinc/28/44/13/773284413.db2.gz XILBUGZDWFXWMP-ZDUSSCGKSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001073672793 773288538 /nfs/dbraw/zinc/28/85/38/773288538.db2.gz PMJJJNJHIFNTFR-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001073672793 773288544 /nfs/dbraw/zinc/28/85/44/773288544.db2.gz PMJJJNJHIFNTFR-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001073672793 773288548 /nfs/dbraw/zinc/28/85/48/773288548.db2.gz PMJJJNJHIFNTFR-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001073697556 773320880 /nfs/dbraw/zinc/32/08/80/773320880.db2.gz MUHQHJZOCSYVKC-INIZCTEOSA-N 2 1 314.389 1.341 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010890 773919389 /nfs/dbraw/zinc/91/93/89/773919389.db2.gz MYTFMFKNNXATLK-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010890 773919391 /nfs/dbraw/zinc/91/93/91/773919391.db2.gz MYTFMFKNNXATLK-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010890 773919399 /nfs/dbraw/zinc/91/93/99/773919399.db2.gz MYTFMFKNNXATLK-JZXOWHBKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092060646 773931726 /nfs/dbraw/zinc/93/17/26/773931726.db2.gz BMPZROPNTAXCJH-QAPCUYQASA-N 2 1 316.449 1.973 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@]2(C)C1 ZINC001092060646 773931731 /nfs/dbraw/zinc/93/17/31/773931731.db2.gz BMPZROPNTAXCJH-QAPCUYQASA-N 2 1 316.449 1.973 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001099316545 774944628 /nfs/dbraw/zinc/94/46/28/774944628.db2.gz UWSIJBAAUHXUDK-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099316545 774944632 /nfs/dbraw/zinc/94/46/32/774944632.db2.gz UWSIJBAAUHXUDK-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001099316545 774944637 /nfs/dbraw/zinc/94/46/37/774944637.db2.gz UWSIJBAAUHXUDK-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036871271 775008902 /nfs/dbraw/zinc/00/89/02/775008902.db2.gz JHDPPGYFGLGNPG-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CCC)C1 ZINC001099547176 775024538 /nfs/dbraw/zinc/02/45/38/775024538.db2.gz AOUHROGNWBRLOB-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099547176 775024546 /nfs/dbraw/zinc/02/45/46/775024546.db2.gz AOUHROGNWBRLOB-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CCC)C1 ZINC001099547176 775024552 /nfs/dbraw/zinc/02/45/52/775024552.db2.gz AOUHROGNWBRLOB-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)C(C)C ZINC001099556954 775029984 /nfs/dbraw/zinc/02/99/84/775029984.db2.gz UJXFKLHYBMUDMM-NXOAAHMSSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556954 775029989 /nfs/dbraw/zinc/02/99/89/775029989.db2.gz UJXFKLHYBMUDMM-NXOAAHMSSA-N 2 1 303.450 1.129 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)C(C)C ZINC001099556954 775029997 /nfs/dbraw/zinc/02/99/97/775029997.db2.gz UJXFKLHYBMUDMM-NXOAAHMSSA-N 2 1 303.450 1.129 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938113 775446414 /nfs/dbraw/zinc/44/64/14/775446414.db2.gz QVVQTYTZHVAHBM-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001171821283 776464333 /nfs/dbraw/zinc/46/43/33/776464333.db2.gz KZHGPDMRNCPVJL-HNNXBMFYSA-N 2 1 322.453 1.659 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101474040 777159169 /nfs/dbraw/zinc/15/91/69/777159169.db2.gz CVKQZAFQOANMRS-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150496578 777716685 /nfs/dbraw/zinc/71/66/85/777716685.db2.gz DLNJRHPQTUGTBN-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001175264360 777738519 /nfs/dbraw/zinc/73/85/19/777738519.db2.gz UBBSNZHPQJDGBF-GOEBONIOSA-N 2 1 316.449 1.652 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529616 777826558 /nfs/dbraw/zinc/82/65/58/777826558.db2.gz ZVPXTOMNGCPOMO-HNNXBMFYSA-N 2 1 304.438 1.904 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176685598 778211095 /nfs/dbraw/zinc/21/10/95/778211095.db2.gz GEBLFEBFBAPHHR-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176685598 778211097 /nfs/dbraw/zinc/21/10/97/778211097.db2.gz GEBLFEBFBAPHHR-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177120147 778433925 /nfs/dbraw/zinc/43/39/25/778433925.db2.gz UGJAEDAYBIWFLD-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177120147 778433928 /nfs/dbraw/zinc/43/39/28/778433928.db2.gz UGJAEDAYBIWFLD-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177088891 778440980 /nfs/dbraw/zinc/44/09/80/778440980.db2.gz OOILBEYYLVFTAQ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001177088891 778440983 /nfs/dbraw/zinc/44/09/83/778440983.db2.gz OOILBEYYLVFTAQ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993903 778538678 /nfs/dbraw/zinc/53/86/78/778538678.db2.gz IHFJXGYYMMZZQL-OIISXLGYSA-N 2 1 303.450 1.036 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103591 778640069 /nfs/dbraw/zinc/64/00/69/778640069.db2.gz OTOSGVKQBQHWFM-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103591 778640073 /nfs/dbraw/zinc/64/00/73/778640073.db2.gz OTOSGVKQBQHWFM-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103591 778640075 /nfs/dbraw/zinc/64/00/75/778640075.db2.gz OTOSGVKQBQHWFM-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103535 778640456 /nfs/dbraw/zinc/64/04/56/778640456.db2.gz MXMBKRSXSVDNMS-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103535 778640461 /nfs/dbraw/zinc/64/04/61/778640461.db2.gz MXMBKRSXSVDNMS-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103535 778640465 /nfs/dbraw/zinc/64/04/65/778640465.db2.gz MXMBKRSXSVDNMS-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178106571 778874463 /nfs/dbraw/zinc/87/44/63/778874463.db2.gz DOQZEYBCHFZITF-CQSZACIVSA-N 2 1 317.861 1.336 20 30 DDEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178106571 778874467 /nfs/dbraw/zinc/87/44/67/778874467.db2.gz DOQZEYBCHFZITF-CQSZACIVSA-N 2 1 317.861 1.336 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570921 778949955 /nfs/dbraw/zinc/94/99/55/778949955.db2.gz LRONKADANGZAAV-QZTJIDSGSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178535025 779082499 /nfs/dbraw/zinc/08/24/99/779082499.db2.gz FNZQDPOEJLRBKK-SJORKVTESA-N 2 1 321.465 1.139 20 30 DDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103999983 779234546 /nfs/dbraw/zinc/23/45/46/779234546.db2.gz QSPUMPUCLJBGKW-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185689 779358878 /nfs/dbraw/zinc/35/88/78/779358878.db2.gz KEOZSPYGONYXOX-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111767338 779471835 /nfs/dbraw/zinc/47/18/35/779471835.db2.gz ZSVODAPXKTXREK-BQFCYCMXSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291460 779693954 /nfs/dbraw/zinc/69/39/54/779693954.db2.gz LKSOXQOAPZTVRL-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291460 779693959 /nfs/dbraw/zinc/69/39/59/779693959.db2.gz LKSOXQOAPZTVRL-BQFCYCMXSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123165 779889358 /nfs/dbraw/zinc/88/93/58/779889358.db2.gz KXKNNYAEKVHHDH-FVQHAEBGSA-N 2 1 317.477 1.875 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115461829 780153081 /nfs/dbraw/zinc/15/30/81/780153081.db2.gz FTSKDWAJJQRMAY-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115461829 780153086 /nfs/dbraw/zinc/15/30/86/780153086.db2.gz FTSKDWAJJQRMAY-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1cccc(F)c1 ZINC001266284381 836045996 /nfs/dbraw/zinc/04/59/96/836045996.db2.gz CQPBSSNXVAQKIQ-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1cccc(F)c1 ZINC001266284381 836046009 /nfs/dbraw/zinc/04/60/09/836046009.db2.gz CQPBSSNXVAQKIQ-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(F)c1 ZINC001266284381 836046019 /nfs/dbraw/zinc/04/60/19/836046019.db2.gz CQPBSSNXVAQKIQ-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1cccc(F)c1 ZINC001266284381 836046031 /nfs/dbraw/zinc/04/60/31/836046031.db2.gz CQPBSSNXVAQKIQ-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(CC)CC)CC1 ZINC001266362772 836174673 /nfs/dbraw/zinc/17/46/73/836174673.db2.gz UJZKDFQGTCDRAL-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP COCC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001266430844 836245022 /nfs/dbraw/zinc/24/50/22/836245022.db2.gz DBCAYKXUBJKRPY-MRXNPFEDSA-N 2 1 323.481 1.099 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001266662405 836613146 /nfs/dbraw/zinc/61/31/46/836613146.db2.gz FQPFIKSNXFOGIC-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC=C(Cl)Cl ZINC001266729065 836739148 /nfs/dbraw/zinc/73/91/48/836739148.db2.gz XBRFJXSLNCFMCQ-LBPRGKRZSA-N 2 1 318.248 1.451 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC=C(Cl)Cl ZINC001266729065 836739151 /nfs/dbraw/zinc/73/91/51/836739151.db2.gz XBRFJXSLNCFMCQ-LBPRGKRZSA-N 2 1 318.248 1.451 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=C)C)C1 ZINC001266792890 836843279 /nfs/dbraw/zinc/84/32/79/836843279.db2.gz FGFDETBQECCDMR-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=C)C)C1 ZINC001266792890 836843283 /nfs/dbraw/zinc/84/32/83/836843283.db2.gz FGFDETBQECCDMR-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001266898231 837021608 /nfs/dbraw/zinc/02/16/08/837021608.db2.gz UATBITNATRRZHB-IRXDYDNUSA-N 2 1 323.481 1.195 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266898231 837021616 /nfs/dbraw/zinc/02/16/16/837021616.db2.gz UATBITNATRRZHB-IRXDYDNUSA-N 2 1 323.481 1.195 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001266898231 837021625 /nfs/dbraw/zinc/02/16/25/837021625.db2.gz UATBITNATRRZHB-IRXDYDNUSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001266972553 837132318 /nfs/dbraw/zinc/13/23/18/837132318.db2.gz IUCSITGSWDFOBQ-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001267519258 838236334 /nfs/dbraw/zinc/23/63/34/838236334.db2.gz CPNMZEFAYLVXMW-KRWDZBQOSA-N 2 1 310.401 1.662 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001267571927 838331900 /nfs/dbraw/zinc/33/19/00/838331900.db2.gz UVGCYQBEUJJYCB-MRXNPFEDSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272043435 844423665 /nfs/dbraw/zinc/42/36/65/844423665.db2.gz MLRXMESFLLCBJO-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001268222331 839855090 /nfs/dbraw/zinc/85/50/90/839855090.db2.gz YIGDRJUJKCIDQO-IAGOWNOFSA-N 2 1 307.482 1.862 20 30 DDEDMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268659175 840642427 /nfs/dbraw/zinc/64/24/27/840642427.db2.gz UXNRXLURKFUSOV-UKRRQHHQSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001268911344 840983057 /nfs/dbraw/zinc/98/30/57/840983057.db2.gz LQSLCVOHKZIXTN-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001271099169 843211974 /nfs/dbraw/zinc/21/19/74/843211974.db2.gz BDMSWQAEDXYULL-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001271099169 843211980 /nfs/dbraw/zinc/21/19/80/843211980.db2.gz BDMSWQAEDXYULL-AWEZNQCLSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[NH+]1CCc2c(CNC(=O)C[N@H+](C)C(C)C)cccc2C1 ZINC001326676602 861534259 /nfs/dbraw/zinc/53/42/59/861534259.db2.gz WQZOVNXRSFPGOB-UHFFFAOYSA-N 2 1 313.445 1.634 20 30 DDEDMP C#CC[N@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001326676602 861534269 /nfs/dbraw/zinc/53/42/69/861534269.db2.gz WQZOVNXRSFPGOB-UHFFFAOYSA-N 2 1 313.445 1.634 20 30 DDEDMP C#CC[N@@H+]1CCc2c(CNC(=O)C[NH+](C)C(C)C)cccc2C1 ZINC001326676602 861534284 /nfs/dbraw/zinc/53/42/84/861534284.db2.gz WQZOVNXRSFPGOB-UHFFFAOYSA-N 2 1 313.445 1.634 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000997003926 847110994 /nfs/dbraw/zinc/11/09/94/847110994.db2.gz AWGQMFNFLFAHRZ-UHFFFAOYSA-N 2 1 316.405 1.098 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001273039364 847824645 /nfs/dbraw/zinc/82/46/45/847824645.db2.gz PKGVJQSWANHIJD-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244699 861889421 /nfs/dbraw/zinc/88/94/21/861889421.db2.gz YYXYKZPPAIJJOV-HIFRSBDPSA-N 2 1 302.422 1.214 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244699 861889435 /nfs/dbraw/zinc/88/94/35/861889435.db2.gz YYXYKZPPAIJJOV-HIFRSBDPSA-N 2 1 302.422 1.214 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329644 848336068 /nfs/dbraw/zinc/33/60/68/848336068.db2.gz ILFPSYDGJDGGRE-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329644 848336075 /nfs/dbraw/zinc/33/60/75/848336075.db2.gz ILFPSYDGJDGGRE-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244700 861893165 /nfs/dbraw/zinc/89/31/65/861893165.db2.gz YYXYKZPPAIJJOV-UKRRQHHQSA-N 2 1 302.422 1.214 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244700 861893175 /nfs/dbraw/zinc/89/31/75/861893175.db2.gz YYXYKZPPAIJJOV-UKRRQHHQSA-N 2 1 302.422 1.214 20 30 DDEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001327251227 861998230 /nfs/dbraw/zinc/99/82/30/861998230.db2.gz INTDZYQQRUZYNJ-INIZCTEOSA-N 2 1 316.449 1.558 20 30 DDEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001327251227 861998236 /nfs/dbraw/zinc/99/82/36/861998236.db2.gz INTDZYQQRUZYNJ-INIZCTEOSA-N 2 1 316.449 1.558 20 30 DDEDMP C=CCOc1cc(C)nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155375980 862011532 /nfs/dbraw/zinc/01/15/32/862011532.db2.gz JVHFQMCXBLNSSS-HNNXBMFYSA-N 2 1 317.437 1.209 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001273458888 850845490 /nfs/dbraw/zinc/84/54/90/850845490.db2.gz XYSFGXWYBPKVAS-QGZVFWFLSA-N 2 1 316.449 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001273458888 850845492 /nfs/dbraw/zinc/84/54/92/850845492.db2.gz XYSFGXWYBPKVAS-QGZVFWFLSA-N 2 1 316.449 1.966 20 30 DDEDMP N#CCCCC[N@@H+]1CCC[C@@]12CCN(CCn1ccnc1)C2=O ZINC001274041962 851882727 /nfs/dbraw/zinc/88/27/27/851882727.db2.gz AEHGPFJVTBYUTK-KRWDZBQOSA-N 2 1 315.421 1.644 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)CCC ZINC001275081676 852792168 /nfs/dbraw/zinc/79/21/68/852792168.db2.gz ZAJLAGXWKVPBST-SJLPKXTDSA-N 2 1 301.434 1.886 20 30 DDEDMP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001275099194 852808859 /nfs/dbraw/zinc/80/88/59/852808859.db2.gz ROLCWYQETUMPPL-YOEHRIQHSA-N 2 1 317.408 1.366 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150778327 862465192 /nfs/dbraw/zinc/46/51/92/862465192.db2.gz KTAVEDBEUCYMCO-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCCC[NH+]1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001275975353 854055703 /nfs/dbraw/zinc/05/57/03/854055703.db2.gz SPRSQURHXQBDDW-MRXNPFEDSA-N 2 1 301.434 1.171 20 30 DDEDMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001276290706 855092620 /nfs/dbraw/zinc/09/26/20/855092620.db2.gz SICOACZILDZHCK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001276290706 855092628 /nfs/dbraw/zinc/09/26/28/855092628.db2.gz SICOACZILDZHCK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276290706 855092638 /nfs/dbraw/zinc/09/26/38/855092638.db2.gz SICOACZILDZHCK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001276290706 855092643 /nfs/dbraw/zinc/09/26/43/855092643.db2.gz SICOACZILDZHCK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001151408573 862758896 /nfs/dbraw/zinc/75/88/96/862758896.db2.gz LTXHGBVIBZDBGC-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049567736 856987630 /nfs/dbraw/zinc/98/76/30/856987630.db2.gz OCDBZRKGNUPPHX-HZPDHXFCSA-N 2 1 301.434 1.313 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001072815403 857746127 /nfs/dbraw/zinc/74/61/27/857746127.db2.gz XSKHPUQSOKTBOR-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072825785 857762763 /nfs/dbraw/zinc/76/27/63/857762763.db2.gz CTALJINTPMDVIY-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072825785 857762769 /nfs/dbraw/zinc/76/27/69/857762769.db2.gz CTALJINTPMDVIY-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072825785 857762779 /nfs/dbraw/zinc/76/27/79/857762779.db2.gz CTALJINTPMDVIY-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983335 857966994 /nfs/dbraw/zinc/96/69/94/857966994.db2.gz SAAIPRGOHCQTJM-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072983335 857966996 /nfs/dbraw/zinc/96/69/96/857966996.db2.gz SAAIPRGOHCQTJM-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072983335 857966999 /nfs/dbraw/zinc/96/69/99/857966999.db2.gz SAAIPRGOHCQTJM-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050416 858047946 /nfs/dbraw/zinc/04/79/46/858047946.db2.gz YXPPFZNJYCOSDM-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050416 858047951 /nfs/dbraw/zinc/04/79/51/858047951.db2.gz YXPPFZNJYCOSDM-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050416 858047958 /nfs/dbraw/zinc/04/79/58/858047958.db2.gz YXPPFZNJYCOSDM-CVEARBPZSA-N 2 1 303.450 1.724 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599617 858474175 /nfs/dbraw/zinc/47/41/75/858474175.db2.gz JKSYAQZBUSMLPW-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599617 858474176 /nfs/dbraw/zinc/47/41/76/858474176.db2.gz JKSYAQZBUSMLPW-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599617 858474179 /nfs/dbraw/zinc/47/41/79/858474179.db2.gz JKSYAQZBUSMLPW-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001224560531 881450180 /nfs/dbraw/zinc/45/01/80/881450180.db2.gz VTMZPIJDLUICSL-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001329515127 863707440 /nfs/dbraw/zinc/70/74/40/863707440.db2.gz KUOUHQJTASMBTP-UKRRQHHQSA-N 2 1 302.422 1.214 20 30 DDEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001329515127 863707447 /nfs/dbraw/zinc/70/74/47/863707447.db2.gz KUOUHQJTASMBTP-UKRRQHHQSA-N 2 1 302.422 1.214 20 30 DDEDMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001329763923 863838064 /nfs/dbraw/zinc/83/80/64/863838064.db2.gz BJBMDOPAEUEDKY-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCOC)CC1 ZINC001331030664 864788637 /nfs/dbraw/zinc/78/86/37/864788637.db2.gz XFDYLNKYLOIQOF-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCCOC)CC1 ZINC001331030664 864788644 /nfs/dbraw/zinc/78/86/44/864788644.db2.gz XFDYLNKYLOIQOF-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCCOC)CC1 ZINC001331030664 864788651 /nfs/dbraw/zinc/78/86/51/864788651.db2.gz XFDYLNKYLOIQOF-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCOC)CC1 ZINC001331030664 864788657 /nfs/dbraw/zinc/78/86/57/864788657.db2.gz XFDYLNKYLOIQOF-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCCOC)CC1 ZINC001331030664 864788663 /nfs/dbraw/zinc/78/86/63/864788663.db2.gz XFDYLNKYLOIQOF-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001332024044 865511730 /nfs/dbraw/zinc/51/17/30/865511730.db2.gz BORISYXHGIRSNW-JKSUJKDBSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(N(C)C)cc[nH+]1 ZINC001159925184 865600896 /nfs/dbraw/zinc/60/08/96/865600896.db2.gz COECYFINCOEMDW-AWEZNQCLSA-N 2 1 306.410 1.786 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001161058268 866334128 /nfs/dbraw/zinc/33/41/28/866334128.db2.gz QVJTZBURGHUIHB-SFHVURJKSA-N 2 1 317.408 1.599 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001381503393 881970077 /nfs/dbraw/zinc/97/00/77/881970077.db2.gz RGCAHQZUCOPLGD-YOEHRIQHSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001381503393 881970090 /nfs/dbraw/zinc/97/00/90/881970090.db2.gz RGCAHQZUCOPLGD-YOEHRIQHSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001381503393 881970110 /nfs/dbraw/zinc/97/01/10/881970110.db2.gz RGCAHQZUCOPLGD-YOEHRIQHSA-N 2 1 314.433 1.589 20 30 DDEDMP C#C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(C)C ZINC001335571795 868392841 /nfs/dbraw/zinc/39/28/41/868392841.db2.gz KSBOBQLGNRLLHP-BBWFWOEESA-N 2 1 318.465 1.254 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001322843772 868420892 /nfs/dbraw/zinc/42/08/92/868420892.db2.gz JAESKMYLUJAPMV-UHFFFAOYSA-N 2 1 316.449 1.837 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001166633857 870116359 /nfs/dbraw/zinc/11/63/59/870116359.db2.gz LKCWJAMEZZQNPK-HNNXBMFYSA-N 2 1 314.433 1.638 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccccc2C#N)C1 ZINC001166668301 870141858 /nfs/dbraw/zinc/14/18/58/870141858.db2.gz YKHKQRQUSGYJGN-HNNXBMFYSA-N 2 1 314.433 1.496 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001317134768 870332462 /nfs/dbraw/zinc/33/24/62/870332462.db2.gz CIDRNNGBQUULHN-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2cnc[nH]2)C12CCC2 ZINC001203442147 870562336 /nfs/dbraw/zinc/56/23/36/870562336.db2.gz JROXJECXOGAIJH-CABCVRRESA-N 2 1 302.422 1.935 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC001341699932 871782749 /nfs/dbraw/zinc/78/27/49/871782749.db2.gz HZRBMNSUASABEF-OAHLLOKOSA-N 2 1 318.421 1.809 20 30 DDEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001316699303 871806668 /nfs/dbraw/zinc/80/66/68/871806668.db2.gz QNQVEKBHWLAEOR-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC001341768267 871817318 /nfs/dbraw/zinc/81/73/18/871817318.db2.gz REPNGKKCUPCBNX-HOTGVXAUSA-N 2 1 305.397 1.982 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001206281949 872183944 /nfs/dbraw/zinc/18/39/44/872183944.db2.gz PJGRAYMOBVJRIK-DOTOQJQBSA-N 2 1 323.481 1.215 20 30 DDEDMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001318887652 872328979 /nfs/dbraw/zinc/32/89/79/872328979.db2.gz XHXIJWOMUNHNAU-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001318979928 872377670 /nfs/dbraw/zinc/37/76/70/872377670.db2.gz XOQKLDUAIIDWOQ-ULQDDVLXSA-N 2 1 323.481 1.548 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001319361619 872595667 /nfs/dbraw/zinc/59/56/67/872595667.db2.gz JFQXWJAEWCNTPT-KRWDZBQOSA-N 2 1 317.477 1.903 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001319361619 872595677 /nfs/dbraw/zinc/59/56/77/872595677.db2.gz JFQXWJAEWCNTPT-KRWDZBQOSA-N 2 1 317.477 1.903 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001344778066 873111240 /nfs/dbraw/zinc/11/12/40/873111240.db2.gz OOSFTHLOJPRWQD-MJBXVCDLSA-N 2 1 310.467 1.094 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001344778066 873111249 /nfs/dbraw/zinc/11/12/49/873111249.db2.gz OOSFTHLOJPRWQD-MJBXVCDLSA-N 2 1 310.467 1.094 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276586078 874449905 /nfs/dbraw/zinc/44/99/05/874449905.db2.gz BKNJWLKCNZWLAK-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001209505851 874927606 /nfs/dbraw/zinc/92/76/06/874927606.db2.gz ACPPRTSBBPXUTP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209505851 874927616 /nfs/dbraw/zinc/92/76/16/874927616.db2.gz ACPPRTSBBPXUTP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209505851 874927628 /nfs/dbraw/zinc/92/76/28/874927628.db2.gz ACPPRTSBBPXUTP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330434 875332037 /nfs/dbraw/zinc/33/20/37/875332037.db2.gz XZABGKQHWHMMAV-BZUAXINKSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210347213 875341719 /nfs/dbraw/zinc/34/17/19/875341719.db2.gz BCMWITAGQSWUJX-MRXNPFEDSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC001350112198 875540978 /nfs/dbraw/zinc/54/09/78/875540978.db2.gz BFMWIKMHQHCAQM-ULQDDVLXSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC001350112198 875540983 /nfs/dbraw/zinc/54/09/83/875540983.db2.gz BFMWIKMHQHCAQM-ULQDDVLXSA-N 2 1 318.465 1.352 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2[nH]cnc2C)[C@H](OC)C1 ZINC001213781623 876054399 /nfs/dbraw/zinc/05/43/99/876054399.db2.gz SZYYAWGBEZWMQX-APHBMKBZSA-N 2 1 320.437 1.431 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868505 876085891 /nfs/dbraw/zinc/08/58/91/876085891.db2.gz YGVWELHKHVCBHU-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213868505 876085897 /nfs/dbraw/zinc/08/58/97/876085897.db2.gz YGVWELHKHVCBHU-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213925852 876103108 /nfs/dbraw/zinc/10/31/08/876103108.db2.gz SRSWEUWILLYXND-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213925852 876103112 /nfs/dbraw/zinc/10/31/12/876103112.db2.gz SRSWEUWILLYXND-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001215036327 876546838 /nfs/dbraw/zinc/54/68/38/876546838.db2.gz XKIYIANVMIFIRV-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934035 876824444 /nfs/dbraw/zinc/82/44/44/876824444.db2.gz CYIOOUKVIKHRKC-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001379386737 876970856 /nfs/dbraw/zinc/97/08/56/876970856.db2.gz LPMMIUQITDXICL-CYBMUJFWSA-N 2 1 311.389 1.358 20 30 DDEDMP C#CC[N@@H+](CCC[C@@H](C)O)C1CC[NH+](CCC[C@H](C)O)CC1 ZINC001352935562 877023637 /nfs/dbraw/zinc/02/36/37/877023637.db2.gz QPSJAYXAJQWWPI-DLBZAZTESA-N 2 1 310.482 1.708 20 30 DDEDMP C#CC[N@H+](CCC[C@@H](C)O)C1CC[NH+](CCC[C@H](C)O)CC1 ZINC001352935562 877023651 /nfs/dbraw/zinc/02/36/51/877023651.db2.gz QPSJAYXAJQWWPI-DLBZAZTESA-N 2 1 310.482 1.708 20 30 DDEDMP C#CC[NH2+]CC(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001353842462 877604678 /nfs/dbraw/zinc/60/46/78/877604678.db2.gz CKDQIACZCGCXEE-QGZVFWFLSA-N 2 1 315.417 1.171 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001218861719 877773856 /nfs/dbraw/zinc/77/38/56/877773856.db2.gz NMGYCSAZBQKHOA-KRWDZBQOSA-N 2 1 301.390 1.450 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219065368 877898723 /nfs/dbraw/zinc/89/87/23/877898723.db2.gz AVXHYDPORULHLW-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCCC3)[C@H]2C1 ZINC001219065368 877898742 /nfs/dbraw/zinc/89/87/42/877898742.db2.gz AVXHYDPORULHLW-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001380494793 879780257 /nfs/dbraw/zinc/78/02/57/879780257.db2.gz GZBAJMCDEUIMFD-GOEBONIOSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001380494793 879780271 /nfs/dbraw/zinc/78/02/71/879780271.db2.gz GZBAJMCDEUIMFD-GOEBONIOSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380494793 879780283 /nfs/dbraw/zinc/78/02/83/879780283.db2.gz GZBAJMCDEUIMFD-GOEBONIOSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001380494793 879780288 /nfs/dbraw/zinc/78/02/88/879780288.db2.gz GZBAJMCDEUIMFD-GOEBONIOSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221950187 880161283 /nfs/dbraw/zinc/16/12/83/880161283.db2.gz WZRGNLMJSZGWSF-GVDBMIGSSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001223393013 880944502 /nfs/dbraw/zinc/94/45/02/880944502.db2.gz HWHZKABZNAEHBU-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001223831739 881115807 /nfs/dbraw/zinc/11/58/07/881115807.db2.gz KPVUECRIGAHKQH-UHFFFAOYSA-N 2 1 314.433 1.223 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001277779908 886856869 /nfs/dbraw/zinc/85/68/69/886856869.db2.gz WAULASACGOASSY-INIZCTEOSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001235516471 888703658 /nfs/dbraw/zinc/70/36/58/888703658.db2.gz WTOQGUXAWYVRNQ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001235516471 888703679 /nfs/dbraw/zinc/70/36/79/888703679.db2.gz WTOQGUXAWYVRNQ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001235516471 888703689 /nfs/dbraw/zinc/70/36/89/888703689.db2.gz WTOQGUXAWYVRNQ-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCN1C(=O)CC[C@@]12CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235575847 888768181 /nfs/dbraw/zinc/76/81/81/888768181.db2.gz QKQJBBHUBKNTCC-MAUKXSAKSA-N 2 1 321.465 1.744 20 30 DDEDMP C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235575847 888768189 /nfs/dbraw/zinc/76/81/89/888768189.db2.gz QKQJBBHUBKNTCC-MAUKXSAKSA-N 2 1 321.465 1.744 20 30 DDEDMP Cn1cc(CN2CC(N3CCN(C)CC3)C2)c2cc(C#N)ccc21 ZINC001237473052 889653698 /nfs/dbraw/zinc/65/36/98/889653698.db2.gz QZHZTLLWGIECAH-UHFFFAOYSA-N 2 1 323.444 1.482 20 30 DDEDMP CCCCCCC[C@@H](C)[NH2+]CCS(=O)(=O)N1CC[NH2+]CC1 ZINC001246100274 892414944 /nfs/dbraw/zinc/41/49/44/892414944.db2.gz MFCNBFFMGSGMJO-OAHLLOKOSA-N 2 1 319.515 1.560 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001366177328 892660329 /nfs/dbraw/zinc/66/03/29/892660329.db2.gz GVRMVHRTXSCQMH-DZGCQCFKSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001366177328 892660339 /nfs/dbraw/zinc/66/03/39/892660339.db2.gz GVRMVHRTXSCQMH-DZGCQCFKSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001366177328 892660345 /nfs/dbraw/zinc/66/03/45/892660345.db2.gz GVRMVHRTXSCQMH-DZGCQCFKSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001366177328 892660352 /nfs/dbraw/zinc/66/03/52/892660352.db2.gz GVRMVHRTXSCQMH-DZGCQCFKSA-N 2 1 313.873 1.909 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246583058 892713802 /nfs/dbraw/zinc/71/38/02/892713802.db2.gz IZWCPTQLZDFZOX-SJSXWMTQSA-N 2 1 317.408 1.781 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001278521112 894058293 /nfs/dbraw/zinc/05/82/93/894058293.db2.gz LPEWZYGCGYRXSW-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001278521112 894058303 /nfs/dbraw/zinc/05/83/03/894058303.db2.gz LPEWZYGCGYRXSW-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001251907225 894882023 /nfs/dbraw/zinc/88/20/23/894882023.db2.gz WQRWNACAGXRFDI-QRQLOZEOSA-N 2 1 316.445 1.497 20 30 DDEDMP C=CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001252451652 895157960 /nfs/dbraw/zinc/15/79/60/895157960.db2.gz UEIUDFYCOKTUFM-SFHVURJKSA-N 2 1 304.434 1.804 20 30 DDEDMP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001367825469 897930160 /nfs/dbraw/zinc/93/01/60/897930160.db2.gz FTSKXMAHSAYIHV-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CCC[NH+](C)C ZINC001367825469 897930165 /nfs/dbraw/zinc/93/01/65/897930165.db2.gz FTSKXMAHSAYIHV-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264022343 900874402 /nfs/dbraw/zinc/87/44/02/900874402.db2.gz BDLYNELBINRMDN-FGTMMUONSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001264101006 900930118 /nfs/dbraw/zinc/93/01/18/900930118.db2.gz QAWZBNFEAWUKAP-MSOLQXFVSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001265572407 902142203 /nfs/dbraw/zinc/14/22/03/902142203.db2.gz GDDLQDKTBBLYPV-CALCHBBNSA-N 2 1 301.434 1.931 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001265572407 902142210 /nfs/dbraw/zinc/14/22/10/902142210.db2.gz GDDLQDKTBBLYPV-CALCHBBNSA-N 2 1 301.434 1.931 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001391715491 902429004 /nfs/dbraw/zinc/42/90/04/902429004.db2.gz DOUCCOPQKOLTTN-UONOGXRCSA-N 2 1 324.856 1.991 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266009130 902746957 /nfs/dbraw/zinc/74/69/57/902746957.db2.gz NQKNXZJJZGPKQT-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266072532 902884635 /nfs/dbraw/zinc/88/46/35/902884635.db2.gz WTBIFYRGBYFJQP-SJORKVTESA-N 2 1 323.481 1.692 20 30 DDEDMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266112324 902965043 /nfs/dbraw/zinc/96/50/43/902965043.db2.gz LKBZEZARTMJESL-QGZVFWFLSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001280855935 904120347 /nfs/dbraw/zinc/12/03/47/904120347.db2.gz DSMGWCLRJGWQDU-OAHLLOKOSA-N 2 1 302.422 1.167 20 30 DDEDMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001280855935 904120354 /nfs/dbraw/zinc/12/03/54/904120354.db2.gz DSMGWCLRJGWQDU-OAHLLOKOSA-N 2 1 302.422 1.167 20 30 DDEDMP C=CCC[NH2+]CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCOCC1 ZINC001281283196 904652297 /nfs/dbraw/zinc/65/22/97/904652297.db2.gz NPVFBLNSMPYBPY-KRWDZBQOSA-N 2 1 321.465 1.303 20 30 DDEDMP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001282702331 905964120 /nfs/dbraw/zinc/96/41/20/905964120.db2.gz ZNLMCWOWFXTLJM-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001282702331 905964136 /nfs/dbraw/zinc/96/41/36/905964136.db2.gz ZNLMCWOWFXTLJM-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001282744500 906012478 /nfs/dbraw/zinc/01/24/78/906012478.db2.gz OOQVJUCYUWQAPZ-INIZCTEOSA-N 2 1 315.461 1.783 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001282888879 906163737 /nfs/dbraw/zinc/16/37/37/906163737.db2.gz MXPVEIPETAPWSD-OSYLJGHBSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284011802 908312746 /nfs/dbraw/zinc/31/27/46/908312746.db2.gz AMCSCSMVXGEPBN-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000068084321 353087169 /nfs/dbraw/zinc/08/71/69/353087169.db2.gz DJKBTHTUQQHTAQ-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330183210 223083889 /nfs/dbraw/zinc/08/38/89/223083889.db2.gz HUHHVUJJXZWOAW-ZBFHGGJFSA-N 2 1 317.437 1.807 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330183210 223083892 /nfs/dbraw/zinc/08/38/92/223083892.db2.gz HUHHVUJJXZWOAW-ZBFHGGJFSA-N 2 1 317.437 1.807 20 30 DDEDMP C[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000329796658 533097307 /nfs/dbraw/zinc/09/73/07/533097307.db2.gz XAJHZGIGZMKZBL-ZDUSSCGKSA-N 2 1 315.483 1.227 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(OC)c1 ZINC000104162656 407348220 /nfs/dbraw/zinc/34/82/20/407348220.db2.gz UJCZCQKJWMKWTM-HNNXBMFYSA-N 2 1 304.438 1.626 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC[C@@](C)(O)c1cc(C)oc1C ZINC000262373521 407817391 /nfs/dbraw/zinc/81/73/91/407817391.db2.gz KGMUXAIPPAAYIG-RHSMWYFYSA-N 2 1 322.453 1.221 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C)cc1OC ZINC000268100288 407889990 /nfs/dbraw/zinc/88/99/90/407889990.db2.gz BOVBCGWATVYFBF-HNNXBMFYSA-N 2 1 304.438 1.892 20 30 DDEDMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000176282383 408331223 /nfs/dbraw/zinc/33/12/23/408331223.db2.gz JNKRVIMZBBVRSR-HOTGVXAUSA-N 2 1 308.470 1.658 20 30 DDEDMP C#CCNC(=O)[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274815790 408543542 /nfs/dbraw/zinc/54/35/42/408543542.db2.gz IRNIUAJODCLNFP-BQFCYCMXSA-N 2 1 313.445 1.625 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274815790 408543548 /nfs/dbraw/zinc/54/35/48/408543548.db2.gz IRNIUAJODCLNFP-BQFCYCMXSA-N 2 1 313.445 1.625 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289348234 409252057 /nfs/dbraw/zinc/25/20/57/409252057.db2.gz FUXCKHZDSSMQIZ-QGZVFWFLSA-N 2 1 324.513 1.391 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000304806723 409643853 /nfs/dbraw/zinc/64/38/53/409643853.db2.gz SKPLPGVAXIZKMC-HOTGVXAUSA-N 2 1 308.470 1.582 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000296815226 409646593 /nfs/dbraw/zinc/64/65/93/409646593.db2.gz IWTGBSQAJFDYRU-KRWDZBQOSA-N 2 1 316.449 1.544 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000328053109 409930661 /nfs/dbraw/zinc/93/06/61/409930661.db2.gz ZSFIRVYIAOJFRD-KRWDZBQOSA-N 2 1 304.434 1.588 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000328053109 409930666 /nfs/dbraw/zinc/93/06/66/409930666.db2.gz ZSFIRVYIAOJFRD-KRWDZBQOSA-N 2 1 304.434 1.588 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261599750 222251879 /nfs/dbraw/zinc/25/18/79/222251879.db2.gz AXAXECOTJVXJLL-QXSJWSMHSA-N 2 1 320.481 1.723 20 30 DDEDMP C[NH+]=C(NC1C(C)(C)C1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261715425 222256081 /nfs/dbraw/zinc/25/60/81/222256081.db2.gz KJGJKFSEQBPMLY-CQSZACIVSA-N 2 1 322.497 1.651 20 30 DDEDMP C=C(Cl)CNC(=[NH+]CC)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261867678 222260170 /nfs/dbraw/zinc/26/01/70/222260170.db2.gz ZFVQPVDLPBWIIY-CQSZACIVSA-N 2 1 314.861 1.359 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000264277000 222330229 /nfs/dbraw/zinc/33/02/29/222330229.db2.gz MXWCMZQRMHUXFV-LBPRGKRZSA-N 2 1 320.437 1.591 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCOc2ccccc21 ZINC000262521632 222284025 /nfs/dbraw/zinc/28/40/25/222284025.db2.gz IOWQWAUDCDFUSD-CABCVRRESA-N 2 1 316.449 1.941 20 30 DDEDMP COc1ccc(CCNC(=[NH2+])NCCn2cc[nH+]c2C)cc1 ZINC000264095881 222317233 /nfs/dbraw/zinc/31/72/33/222317233.db2.gz MNHNHBXKCVJOAV-UHFFFAOYSA-N 2 1 301.394 1.347 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OC)c1OC ZINC000264118378 222320460 /nfs/dbraw/zinc/32/04/60/222320460.db2.gz QJKDCTPVZJBHMJ-CQSZACIVSA-N 2 1 320.437 1.592 20 30 DDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCSCC#N)C2)CC1 ZINC000363466939 418766040 /nfs/dbraw/zinc/76/60/40/418766040.db2.gz HSBMKASKGFPIOV-INIZCTEOSA-N 2 1 310.511 1.593 20 30 DDEDMP CC#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525824 420602714 /nfs/dbraw/zinc/60/27/14/420602714.db2.gz GYKABKQIKUJLHJ-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CCC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525824 420602717 /nfs/dbraw/zinc/60/27/17/420602717.db2.gz GYKABKQIKUJLHJ-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525824 420602721 /nfs/dbraw/zinc/60/27/21/420602721.db2.gz GYKABKQIKUJLHJ-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CCC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525824 420602724 /nfs/dbraw/zinc/60/27/24/420602724.db2.gz GYKABKQIKUJLHJ-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC(C)N(CCC#N)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000536645339 421722775 /nfs/dbraw/zinc/72/27/75/421722775.db2.gz OEOCXUSBXIIMBA-UHFFFAOYSA-N 2 1 302.426 1.352 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000574020779 422047622 /nfs/dbraw/zinc/04/76/22/422047622.db2.gz HJZWQHFCYMSAAX-BBWFWOEESA-N 2 1 310.486 1.150 20 30 DDEDMP C=C(CC)CNC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000656251552 484047508 /nfs/dbraw/zinc/04/75/08/484047508.db2.gz QKZOGOOFSLRCST-MRXNPFEDSA-N 2 1 308.470 1.763 20 30 DDEDMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424142191 534131840 /nfs/dbraw/zinc/13/18/40/534131840.db2.gz DLFJLRXCJMWAAV-HYVNUMGLSA-N 2 1 314.433 1.959 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000341663904 526594693 /nfs/dbraw/zinc/59/46/93/526594693.db2.gz IORRMIXQJCUWII-RHSMWYFYSA-N 2 1 320.481 1.809 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000491419794 526802904 /nfs/dbraw/zinc/80/29/04/526802904.db2.gz WBUFJAIOPDDTLQ-UHFFFAOYSA-N 2 1 318.421 1.273 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000491705727 526808292 /nfs/dbraw/zinc/80/82/92/526808292.db2.gz JKFMANMZNFRNRS-UHFFFAOYSA-N 2 1 316.449 1.502 20 30 DDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000343541919 529151239 /nfs/dbraw/zinc/15/12/39/529151239.db2.gz VLNLTLBEBHVZPK-LJQANCHMSA-N 2 1 312.461 1.964 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000971673984 695059103 /nfs/dbraw/zinc/05/91/03/695059103.db2.gz LZLIFLNZKKRMCX-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000971673984 695059106 /nfs/dbraw/zinc/05/91/06/695059106.db2.gz LZLIFLNZKKRMCX-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000971673984 695059109 /nfs/dbraw/zinc/05/91/09/695059109.db2.gz LZLIFLNZKKRMCX-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974580292 695689543 /nfs/dbraw/zinc/68/95/43/695689543.db2.gz SBZLFSXCZVZZTJ-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974580292 695689544 /nfs/dbraw/zinc/68/95/44/695689544.db2.gz SBZLFSXCZVZZTJ-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974580292 695689546 /nfs/dbraw/zinc/68/95/46/695689546.db2.gz SBZLFSXCZVZZTJ-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974580292 695689548 /nfs/dbraw/zinc/68/95/48/695689548.db2.gz SBZLFSXCZVZZTJ-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978368619 696371798 /nfs/dbraw/zinc/37/17/98/696371798.db2.gz NZYVKMHUTFGSDI-APIJFGDWSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978368619 696371799 /nfs/dbraw/zinc/37/17/99/696371799.db2.gz NZYVKMHUTFGSDI-APIJFGDWSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978368619 696371802 /nfs/dbraw/zinc/37/18/02/696371802.db2.gz NZYVKMHUTFGSDI-APIJFGDWSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978957517 696479930 /nfs/dbraw/zinc/47/99/30/696479930.db2.gz GXXWZJITXNZBBJ-ZSOGYDGISA-N 2 1 309.841 1.129 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979075838 696492549 /nfs/dbraw/zinc/49/25/49/696492549.db2.gz GFZRHSZBYCRYER-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979075838 696492551 /nfs/dbraw/zinc/49/25/51/696492551.db2.gz GFZRHSZBYCRYER-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979075838 696492552 /nfs/dbraw/zinc/49/25/52/696492552.db2.gz GFZRHSZBYCRYER-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000104169582 696619063 /nfs/dbraw/zinc/61/90/63/696619063.db2.gz HKKSKTRWFKSZEC-QGZVFWFLSA-N 3 1 323.529 1.887 20 30 DDEDMP CC(=NN1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000748131241 700101393 /nfs/dbraw/zinc/10/13/93/700101393.db2.gz IMERPGVDEWUVCF-UHFFFAOYSA-N 2 1 304.438 1.598 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009489 697001497 /nfs/dbraw/zinc/00/14/97/697001497.db2.gz STRUZEJOWMJPIC-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009489 697001500 /nfs/dbraw/zinc/00/15/00/697001500.db2.gz STRUZEJOWMJPIC-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009489 697001503 /nfs/dbraw/zinc/00/15/03/697001503.db2.gz STRUZEJOWMJPIC-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC(C)Oc1ccc(NC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000303709854 698605826 /nfs/dbraw/zinc/60/58/26/698605826.db2.gz OFDDTLQJPILLLQ-UHFFFAOYSA-N 2 1 320.437 1.923 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000303890308 698609925 /nfs/dbraw/zinc/60/99/25/698609925.db2.gz MNTSCVKAXHIELX-LBPRGKRZSA-N 2 1 318.421 1.915 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000750887427 700254465 /nfs/dbraw/zinc/25/44/65/700254465.db2.gz RADIPLTXFGFEKI-CQSZACIVSA-N 2 1 309.479 1.028 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000730279988 699506219 /nfs/dbraw/zinc/50/62/19/699506219.db2.gz WCYGWSAAYMHEBX-RYRKJORJSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000730279988 699506222 /nfs/dbraw/zinc/50/62/22/699506222.db2.gz WCYGWSAAYMHEBX-RYRKJORJSA-N 2 1 305.466 1.711 20 30 DDEDMP CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NNC2=[NH+]CCN2)c1C ZINC000841660322 702522742 /nfs/dbraw/zinc/52/27/42/702522742.db2.gz XDESXFQYHBGPCG-INIZCTEOSA-N 2 1 316.453 1.472 20 30 DDEDMP C[NH+]=C(NCCC[N@H+]1CCCO[C@H](C)C1)NCc1ccco1 ZINC000849022575 703611875 /nfs/dbraw/zinc/61/18/75/703611875.db2.gz KCIRMKGODAYWKO-CQSZACIVSA-N 2 1 308.426 1.446 20 30 DDEDMP C=CCNC(=O)NC(=O)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702673 706764940 /nfs/dbraw/zinc/76/49/40/706764940.db2.gz UOLBGHYRTUSZNP-UHFFFAOYSA-N 2 1 324.469 1.298 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000855159951 704471610 /nfs/dbraw/zinc/47/16/10/704471610.db2.gz KIFLHJSTPPLBRE-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+](CCOC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000827823246 706072117 /nfs/dbraw/zinc/07/21/17/706072117.db2.gz MGFQTCREVPQQNJ-UHFFFAOYSA-N 2 1 315.461 1.910 20 30 DDEDMP C=CCN(CC=C)C(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785746 707205069 /nfs/dbraw/zinc/20/50/69/707205069.db2.gz VCPTYSPXEWWPGT-GOOCMWNKSA-N 2 1 320.437 1.558 20 30 DDEDMP C=CCN(CC=C)C(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785746 707205073 /nfs/dbraw/zinc/20/50/73/707205073.db2.gz VCPTYSPXEWWPGT-GOOCMWNKSA-N 2 1 320.437 1.558 20 30 DDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]Cc3ccccc31)C2 ZINC000884026280 708107253 /nfs/dbraw/zinc/10/72/53/708107253.db2.gz YWLAQAFMLDLBHS-CSLYMUCUSA-N 2 1 310.401 1.262 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000884210443 708191746 /nfs/dbraw/zinc/19/17/46/708191746.db2.gz ZUGSOIMYNQZGBR-QLFBSQMISA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000884210443 708191747 /nfs/dbraw/zinc/19/17/47/708191747.db2.gz ZUGSOIMYNQZGBR-QLFBSQMISA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000884210443 708191749 /nfs/dbraw/zinc/19/17/49/708191749.db2.gz ZUGSOIMYNQZGBR-QLFBSQMISA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000884210443 708191750 /nfs/dbraw/zinc/19/17/50/708191750.db2.gz ZUGSOIMYNQZGBR-QLFBSQMISA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000884210443 708191751 /nfs/dbraw/zinc/19/17/51/708191751.db2.gz ZUGSOIMYNQZGBR-QLFBSQMISA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000884376098 708269227 /nfs/dbraw/zinc/26/92/27/708269227.db2.gz WYRAFFSNEWHLNH-KRWDZBQOSA-N 2 1 320.481 1.649 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000884376098 708269229 /nfs/dbraw/zinc/26/92/29/708269229.db2.gz WYRAFFSNEWHLNH-KRWDZBQOSA-N 2 1 320.481 1.649 20 30 DDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000884393913 708278159 /nfs/dbraw/zinc/27/81/59/708278159.db2.gz PHRQWOKCBLVRGH-OWQJAQGESA-N 2 1 316.449 1.259 20 30 DDEDMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884398620 708280678 /nfs/dbraw/zinc/28/06/78/708280678.db2.gz JBMFCKXKIRYDAM-YXXKGXSTSA-N 2 1 304.438 1.115 20 30 DDEDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C#N)ccn1 ZINC000902794490 710903321 /nfs/dbraw/zinc/90/33/21/710903321.db2.gz WNSULUSAGFGQBO-OAHLLOKOSA-N 2 1 301.438 1.631 20 30 DDEDMP CC(C)C[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000912507877 711358034 /nfs/dbraw/zinc/35/80/34/711358034.db2.gz HADZBBJIFFRWGD-LSDHHAIUSA-N 2 1 310.486 1.839 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000960289936 716481056 /nfs/dbraw/zinc/48/10/56/716481056.db2.gz NQOMWGQURQKQKN-VVLHAWIVSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000960289936 716481057 /nfs/dbraw/zinc/48/10/57/716481057.db2.gz NQOMWGQURQKQKN-VVLHAWIVSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000960289936 716481062 /nfs/dbraw/zinc/48/10/62/716481062.db2.gz NQOMWGQURQKQKN-VVLHAWIVSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940864303 717001774 /nfs/dbraw/zinc/00/17/74/717001774.db2.gz JTSNYNNSPWBBFB-INIZCTEOSA-N 2 1 310.401 1.798 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962256374 717375365 /nfs/dbraw/zinc/37/53/65/717375365.db2.gz RBUWHLVZYVYECD-PIIMJCKOSA-N 2 1 317.477 1.731 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942057779 717455169 /nfs/dbraw/zinc/45/51/69/717455169.db2.gz PFBKRXJQTCFUEP-GJZGRUSLSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962730773 717568374 /nfs/dbraw/zinc/56/83/74/717568374.db2.gz PGVOYEWKOQALHB-PIIMJCKOSA-N 2 1 311.429 1.432 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942517753 717714170 /nfs/dbraw/zinc/71/41/70/717714170.db2.gz FUKUBNJUYSZYSM-YOEHRIQHSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963336806 717747756 /nfs/dbraw/zinc/74/77/56/717747756.db2.gz HEDMBAFNZQASNN-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963336806 717747760 /nfs/dbraw/zinc/74/77/60/717747760.db2.gz HEDMBAFNZQASNN-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708228 718975396 /nfs/dbraw/zinc/97/53/96/718975396.db2.gz QISCFEZLMYAJGU-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)[C@@H](C)C2)CC1 ZINC000948069751 719349461 /nfs/dbraw/zinc/34/94/61/719349461.db2.gz KAZZEOMZMPYOQD-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948541627 719538385 /nfs/dbraw/zinc/53/83/85/719538385.db2.gz GXNOOJMETKNCLC-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948541627 719538391 /nfs/dbraw/zinc/53/83/91/719538391.db2.gz GXNOOJMETKNCLC-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541627 719538396 /nfs/dbraw/zinc/53/83/96/719538396.db2.gz GXNOOJMETKNCLC-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541627 719538399 /nfs/dbraw/zinc/53/83/99/719538399.db2.gz GXNOOJMETKNCLC-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583200 719562308 /nfs/dbraw/zinc/56/23/08/719562308.db2.gz KQXIKXMXKIRNCA-QGZVFWFLSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620660 719593505 /nfs/dbraw/zinc/59/35/05/719593505.db2.gz HCGYTUGSIPNDMS-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620660 719593508 /nfs/dbraw/zinc/59/35/08/719593508.db2.gz HCGYTUGSIPNDMS-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@H]2C)CC1 ZINC000968681248 719733683 /nfs/dbraw/zinc/73/36/83/719733683.db2.gz HZAVDZSQIYXLJV-ZBFHGGJFSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCF)CC[C@H]2C)CC1 ZINC000968681248 719733685 /nfs/dbraw/zinc/73/36/85/719733685.db2.gz HZAVDZSQIYXLJV-ZBFHGGJFSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000969692322 720251809 /nfs/dbraw/zinc/25/18/09/720251809.db2.gz HTOIWJWFYMCRQD-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833128 720525386 /nfs/dbraw/zinc/52/53/86/720525386.db2.gz LYVJNPURNHBCKR-RHSMWYFYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833128 720525389 /nfs/dbraw/zinc/52/53/89/720525389.db2.gz LYVJNPURNHBCKR-RHSMWYFYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833128 720525390 /nfs/dbraw/zinc/52/53/90/720525390.db2.gz LYVJNPURNHBCKR-RHSMWYFYSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969835097 720526375 /nfs/dbraw/zinc/52/63/75/720526375.db2.gz CXRXZXQCAYSFJZ-CRAIPNDOSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969835100 720526566 /nfs/dbraw/zinc/52/65/66/720526566.db2.gz CXRXZXQCAYSFJZ-YJBOKZPZSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000970026550 720602987 /nfs/dbraw/zinc/60/29/87/720602987.db2.gz GHWBHCRTVGFDQI-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970316053 720705553 /nfs/dbraw/zinc/70/55/53/720705553.db2.gz BAQUIMUZZRCJLW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000970752347 720922556 /nfs/dbraw/zinc/92/25/56/720922556.db2.gz SBLXKUZBSYBUOO-ZDUSSCGKSA-N 2 1 302.422 1.774 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000970955157 721008926 /nfs/dbraw/zinc/00/89/26/721008926.db2.gz SRUUQZNKTYEMAZ-CQSZACIVSA-N 2 1 317.433 1.805 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001027685512 738549787 /nfs/dbraw/zinc/54/97/87/738549787.db2.gz NQDROJOWPOUQND-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+](CCC(=O)OCC)CC1 ZINC001209037796 732573360 /nfs/dbraw/zinc/57/33/60/732573360.db2.gz AQHQTTKPOFHQOZ-UHFFFAOYSA-N 2 1 309.454 1.231 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001100420498 732661974 /nfs/dbraw/zinc/66/19/74/732661974.db2.gz KKWIJRAOYAJPQZ-OFLPRAFFSA-N 2 1 323.481 1.548 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529678 738654556 /nfs/dbraw/zinc/65/45/56/738654556.db2.gz JZVAOIXEXYVGCG-LNLFQRSKSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001121102294 782355997 /nfs/dbraw/zinc/35/59/97/782355997.db2.gz DEGZTTOEEOSQMF-RFSHTEQGSA-N 2 1 317.477 1.900 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C12CCC2 ZINC001203420263 738739307 /nfs/dbraw/zinc/73/93/07/738739307.db2.gz RRUODWLVNXKWTM-GJZGRUSLSA-N 2 1 305.466 1.615 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888226 738776203 /nfs/dbraw/zinc/77/62/03/738776203.db2.gz JJFABAWCAHRCCP-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929333 738824467 /nfs/dbraw/zinc/82/44/67/738824467.db2.gz DYLXFHQEFOEFQZ-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027929333 738824468 /nfs/dbraw/zinc/82/44/68/738824468.db2.gz DYLXFHQEFOEFQZ-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409644 735214380 /nfs/dbraw/zinc/21/43/80/735214380.db2.gz AYLCSDVLWIMYNT-MSOLQXFVSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409644 735214384 /nfs/dbraw/zinc/21/43/84/735214384.db2.gz AYLCSDVLWIMYNT-MSOLQXFVSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023409644 735214387 /nfs/dbraw/zinc/21/43/87/735214387.db2.gz AYLCSDVLWIMYNT-MSOLQXFVSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001023414468 735220466 /nfs/dbraw/zinc/22/04/66/735220466.db2.gz SYMJZSBDVIQWOI-GJZGRUSLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414468 735220471 /nfs/dbraw/zinc/22/04/71/735220471.db2.gz SYMJZSBDVIQWOI-GJZGRUSLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001023414468 735220476 /nfs/dbraw/zinc/22/04/76/735220476.db2.gz SYMJZSBDVIQWOI-GJZGRUSLSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023451101 735244054 /nfs/dbraw/zinc/24/40/54/735244054.db2.gz FQQNANYUCSLUOY-JKSUJKDBSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442623 735831128 /nfs/dbraw/zinc/83/11/28/735831128.db2.gz SYHLIPYNANRMOV-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024502161 735882022 /nfs/dbraw/zinc/88/20/22/735882022.db2.gz KKHXBMCHLQWLCA-QGZVFWFLSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001024811764 736107876 /nfs/dbraw/zinc/10/78/76/736107876.db2.gz YLVSWKGOHFXUFB-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598734 736778611 /nfs/dbraw/zinc/77/86/11/736778611.db2.gz BMQRKBFESLLEGK-HOTGVXAUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)CC)C[C@H]21 ZINC001025814086 736870696 /nfs/dbraw/zinc/87/06/96/736870696.db2.gz PCKUROGHGPRMKL-NRKLIOEPSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001025814086 736870699 /nfs/dbraw/zinc/87/06/99/736870699.db2.gz PCKUROGHGPRMKL-NRKLIOEPSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)CC)C[C@H]21 ZINC001025814086 736870701 /nfs/dbraw/zinc/87/07/01/736870701.db2.gz PCKUROGHGPRMKL-NRKLIOEPSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](C)CC)C[C@H]21 ZINC001025814086 736870705 /nfs/dbraw/zinc/87/07/05/736870705.db2.gz PCKUROGHGPRMKL-NRKLIOEPSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001008829838 738049899 /nfs/dbraw/zinc/04/98/99/738049899.db2.gz ULEMEAYLGUZURO-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997949393 751415485 /nfs/dbraw/zinc/41/54/85/751415485.db2.gz MMPHQZHUMAIOQX-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997949393 751415486 /nfs/dbraw/zinc/41/54/86/751415486.db2.gz MMPHQZHUMAIOQX-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997949393 751415487 /nfs/dbraw/zinc/41/54/87/751415487.db2.gz MMPHQZHUMAIOQX-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000997976822 751436042 /nfs/dbraw/zinc/43/60/42/751436042.db2.gz OGMLHIRSMZRDQM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001028333970 739369537 /nfs/dbraw/zinc/36/95/37/739369537.db2.gz UBJXDOVVPHPTEE-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001032590844 751463070 /nfs/dbraw/zinc/46/30/70/751463070.db2.gz AUBLVDNNTAHXGX-PVAVHDDUSA-N 2 1 314.433 1.615 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001032590844 751463072 /nfs/dbraw/zinc/46/30/72/751463072.db2.gz AUBLVDNNTAHXGX-PVAVHDDUSA-N 2 1 314.433 1.615 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035395558 751465915 /nfs/dbraw/zinc/46/59/15/751465915.db2.gz XSSRVEBGNDESJP-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035395558 751465918 /nfs/dbraw/zinc/46/59/18/751465918.db2.gz XSSRVEBGNDESJP-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395558 751465921 /nfs/dbraw/zinc/46/59/21/751465921.db2.gz XSSRVEBGNDESJP-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395558 751465925 /nfs/dbraw/zinc/46/59/25/751465925.db2.gz XSSRVEBGNDESJP-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758158 739999756 /nfs/dbraw/zinc/99/97/56/739999756.db2.gz OSHKGAKSMMMIQW-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758158 739999757 /nfs/dbraw/zinc/99/97/57/739999757.db2.gz OSHKGAKSMMMIQW-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758158 739999759 /nfs/dbraw/zinc/99/97/59/739999759.db2.gz OSHKGAKSMMMIQW-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028765209 740009417 /nfs/dbraw/zinc/00/94/17/740009417.db2.gz SWBQTSAJFLRAPI-AWEZNQCLSA-N 2 1 305.422 1.969 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CC3([NH+](C)C)CCCC3)C[C@]2(C)C1 ZINC001101312593 740536565 /nfs/dbraw/zinc/53/65/65/740536565.db2.gz AUJFRFYTBXZKBA-AEFFLSMTSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622624 740681403 /nfs/dbraw/zinc/68/14/03/740681403.db2.gz XPQUXTCBRZFAIG-QKPAOTATSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622624 740681404 /nfs/dbraw/zinc/68/14/04/740681404.db2.gz XPQUXTCBRZFAIG-QKPAOTATSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622624 740681405 /nfs/dbraw/zinc/68/14/05/740681405.db2.gz XPQUXTCBRZFAIG-QKPAOTATSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622624 740681406 /nfs/dbraw/zinc/68/14/06/740681406.db2.gz XPQUXTCBRZFAIG-QKPAOTATSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nc(C)[nH]c3C2)[C@H]1CC ZINC001087631395 740684334 /nfs/dbraw/zinc/68/43/34/740684334.db2.gz YGHBAZGZSYOBEC-JLJPHGGASA-N 2 1 316.449 1.978 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001087636551 740687052 /nfs/dbraw/zinc/68/70/52/740687052.db2.gz WPZSHIOZKWGIAB-GVDBMIGSSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1CC ZINC001087636551 740687054 /nfs/dbraw/zinc/68/70/54/740687054.db2.gz WPZSHIOZKWGIAB-GVDBMIGSSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701868 740713531 /nfs/dbraw/zinc/71/35/31/740713531.db2.gz RFXNZTAIPMHIQT-LUKYLMHMSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701868 740713532 /nfs/dbraw/zinc/71/35/32/740713532.db2.gz RFXNZTAIPMHIQT-LUKYLMHMSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087701868 740713534 /nfs/dbraw/zinc/71/35/34/740713534.db2.gz RFXNZTAIPMHIQT-LUKYLMHMSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001037939524 751577508 /nfs/dbraw/zinc/57/75/08/751577508.db2.gz GYWNQZLKOJHARQ-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998191274 751583446 /nfs/dbraw/zinc/58/34/46/751583446.db2.gz UGCZXCNDESFXQG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998191274 751583448 /nfs/dbraw/zinc/58/34/48/751583448.db2.gz UGCZXCNDESFXQG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998191274 751583451 /nfs/dbraw/zinc/58/34/51/751583451.db2.gz UGCZXCNDESFXQG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998191274 751583453 /nfs/dbraw/zinc/58/34/53/751583453.db2.gz UGCZXCNDESFXQG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088026423 740957191 /nfs/dbraw/zinc/95/71/91/740957191.db2.gz JWVOJLHMVMMFGY-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088053057 740971852 /nfs/dbraw/zinc/97/18/52/740971852.db2.gz SGWCACUUEDXWFL-FGTMMUONSA-N 2 1 315.461 1.274 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199884 741103357 /nfs/dbraw/zinc/10/33/57/741103357.db2.gz HBOLKKZWXHRWRX-IKGGRYGDSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199884 741103362 /nfs/dbraw/zinc/10/33/62/741103362.db2.gz HBOLKKZWXHRWRX-IKGGRYGDSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199884 741103364 /nfs/dbraw/zinc/10/33/64/741103364.db2.gz HBOLKKZWXHRWRX-IKGGRYGDSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088329526 741393091 /nfs/dbraw/zinc/39/30/91/741393091.db2.gz ZZPNQSZPCQFDJK-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001088329526 741393093 /nfs/dbraw/zinc/39/30/93/741393093.db2.gz ZZPNQSZPCQFDJK-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001076444624 742740843 /nfs/dbraw/zinc/74/08/43/742740843.db2.gz KGFIHUMJFAKUTF-ZWKOTPCHSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@@H]3CCCC[N@H+]3C1)CC2 ZINC001035706672 751792437 /nfs/dbraw/zinc/79/24/37/751792437.db2.gz NFUADAVUWBZRMT-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035720560 751808945 /nfs/dbraw/zinc/80/89/45/751808945.db2.gz KGTXHHGUBQGIQK-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001016335521 743481648 /nfs/dbraw/zinc/48/16/48/743481648.db2.gz DJSGWLYVKMLFRE-HOCLYGCPSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549284 743755284 /nfs/dbraw/zinc/75/52/84/743755284.db2.gz YTCDYAMDTDFZLE-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184809706 744105301 /nfs/dbraw/zinc/10/53/01/744105301.db2.gz HJHPCOHUQVLSJO-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120431187 744205491 /nfs/dbraw/zinc/20/54/91/744205491.db2.gz QQBDFHJGTVTKRZ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001185547438 744252858 /nfs/dbraw/zinc/25/28/58/744252858.db2.gz GRVCHWUVDAZJSB-SJORKVTESA-N 2 1 323.481 1.052 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035851740 751922390 /nfs/dbraw/zinc/92/23/90/751922390.db2.gz KYWLFNNFKUJSJC-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992139594 744628888 /nfs/dbraw/zinc/62/88/88/744628888.db2.gz UNVGUZPOWJAIJH-IMBTUZDBSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992139594 744628891 /nfs/dbraw/zinc/62/88/91/744628891.db2.gz UNVGUZPOWJAIJH-IMBTUZDBSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC000992139594 744628893 /nfs/dbraw/zinc/62/88/93/744628893.db2.gz UNVGUZPOWJAIJH-IMBTUZDBSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992480618 744907224 /nfs/dbraw/zinc/90/72/24/744907224.db2.gz UISPJMABQQWXEN-SQWLQELKSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992480618 744907226 /nfs/dbraw/zinc/90/72/26/744907226.db2.gz UISPJMABQQWXEN-SQWLQELKSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992480618 744907229 /nfs/dbraw/zinc/90/72/29/744907229.db2.gz UISPJMABQQWXEN-SQWLQELKSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992480618 744907230 /nfs/dbraw/zinc/90/72/30/744907230.db2.gz UISPJMABQQWXEN-SQWLQELKSA-N 2 1 311.857 1.804 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084425 745106284 /nfs/dbraw/zinc/10/62/84/745106284.db2.gz MXENKJSHMAQXCP-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084425 745106288 /nfs/dbraw/zinc/10/62/88/745106288.db2.gz MXENKJSHMAQXCP-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084425 745106289 /nfs/dbraw/zinc/10/62/89/745106289.db2.gz MXENKJSHMAQXCP-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213106 745154726 /nfs/dbraw/zinc/15/47/26/745154726.db2.gz WUJYHAURAIHYPG-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190653889 745285715 /nfs/dbraw/zinc/28/57/15/745285715.db2.gz HSZGYAYPTAKRBJ-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190653889 745285717 /nfs/dbraw/zinc/28/57/17/745285717.db2.gz HSZGYAYPTAKRBJ-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190653889 745285719 /nfs/dbraw/zinc/28/57/19/745285719.db2.gz HSZGYAYPTAKRBJ-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC001191071036 745418251 /nfs/dbraw/zinc/41/82/51/745418251.db2.gz WDWYYTWDVWQUFV-CQSZACIVSA-N 2 1 320.437 1.849 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191071036 745418255 /nfs/dbraw/zinc/41/82/55/745418255.db2.gz WDWYYTWDVWQUFV-CQSZACIVSA-N 2 1 320.437 1.849 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001191071036 745418258 /nfs/dbraw/zinc/41/82/58/745418258.db2.gz WDWYYTWDVWQUFV-CQSZACIVSA-N 2 1 320.437 1.849 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080679 745419563 /nfs/dbraw/zinc/41/95/63/745419563.db2.gz KWISNKNMUDIVBD-MRXNPFEDSA-N 2 1 310.401 1.812 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001106248785 745458685 /nfs/dbraw/zinc/45/86/85/745458685.db2.gz YVIGWMSYLGPIEN-FGTMMUONSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923119 745646648 /nfs/dbraw/zinc/64/66/48/745646648.db2.gz QWWDFOCCFKASPQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923119 745646651 /nfs/dbraw/zinc/64/66/51/745646651.db2.gz QWWDFOCCFKASPQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923119 745646655 /nfs/dbraw/zinc/64/66/55/745646655.db2.gz QWWDFOCCFKASPQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355244 745765652 /nfs/dbraw/zinc/76/56/52/745765652.db2.gz QEWWNUAALBCJFM-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355244 745765656 /nfs/dbraw/zinc/76/56/56/745765656.db2.gz QEWWNUAALBCJFM-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866980 745908747 /nfs/dbraw/zinc/90/87/47/745908747.db2.gz PDZJWRDYJAXZOA-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192866980 745908749 /nfs/dbraw/zinc/90/87/49/745908749.db2.gz PDZJWRDYJAXZOA-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106839262 746424099 /nfs/dbraw/zinc/42/40/99/746424099.db2.gz BQLWAARKTFNSFR-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194962148 746498107 /nfs/dbraw/zinc/49/81/07/746498107.db2.gz VMTZIOAAMQFYJH-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001003147172 747013485 /nfs/dbraw/zinc/01/34/85/747013485.db2.gz VVMNJWFQQPWQIC-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562519 747231322 /nfs/dbraw/zinc/23/13/22/747231322.db2.gz GMUVNEFQTUKTIF-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562518 747231491 /nfs/dbraw/zinc/23/14/91/747231491.db2.gz GMUVNEFQTUKTIF-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497918 752175279 /nfs/dbraw/zinc/17/52/79/752175279.db2.gz HLXRUFGWEHAOFM-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497918 752175282 /nfs/dbraw/zinc/17/52/82/752175282.db2.gz HLXRUFGWEHAOFM-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497918 752175286 /nfs/dbraw/zinc/17/52/86/752175286.db2.gz HLXRUFGWEHAOFM-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001198259480 747432536 /nfs/dbraw/zinc/43/25/36/747432536.db2.gz MGJRTDWCDAIJOO-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198259480 747432537 /nfs/dbraw/zinc/43/25/37/747432537.db2.gz MGJRTDWCDAIJOO-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001198259480 747432539 /nfs/dbraw/zinc/43/25/39/747432539.db2.gz MGJRTDWCDAIJOO-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642092 747539703 /nfs/dbraw/zinc/53/97/03/747539703.db2.gz AXSHOKMBZCUDLP-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642092 747539697 /nfs/dbraw/zinc/53/96/97/747539697.db2.gz AXSHOKMBZCUDLP-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642092 747539700 /nfs/dbraw/zinc/53/97/00/747539700.db2.gz AXSHOKMBZCUDLP-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001004186572 748103494 /nfs/dbraw/zinc/10/34/94/748103494.db2.gz WCDDLXANTSIXCF-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001004186572 748103501 /nfs/dbraw/zinc/10/35/01/748103501.db2.gz WCDDLXANTSIXCF-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004366289 748366717 /nfs/dbraw/zinc/36/67/17/748366717.db2.gz BJEKMSNNRVKHSA-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004366289 748366725 /nfs/dbraw/zinc/36/67/25/748366725.db2.gz BJEKMSNNRVKHSA-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004366289 748366733 /nfs/dbraw/zinc/36/67/33/748366733.db2.gz BJEKMSNNRVKHSA-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201404464 748500399 /nfs/dbraw/zinc/50/03/99/748500399.db2.gz VIYNRXRSHIVWBL-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143885 748536448 /nfs/dbraw/zinc/53/64/48/748536448.db2.gz NEVROIIHDMWEEK-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143885 748536457 /nfs/dbraw/zinc/53/64/57/748536457.db2.gz NEVROIIHDMWEEK-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143885 748536463 /nfs/dbraw/zinc/53/64/63/748536463.db2.gz NEVROIIHDMWEEK-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995919210 749289357 /nfs/dbraw/zinc/28/93/57/749289357.db2.gz OYKGMAYOBCYJRL-UONOGXRCSA-N 2 1 302.422 1.773 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415418 749313382 /nfs/dbraw/zinc/31/33/82/749313382.db2.gz IHEKXLZBWQXEQI-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033415418 749313384 /nfs/dbraw/zinc/31/33/84/749313384.db2.gz IHEKXLZBWQXEQI-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033415418 749313386 /nfs/dbraw/zinc/31/33/86/749313386.db2.gz IHEKXLZBWQXEQI-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033415418 749313387 /nfs/dbraw/zinc/31/33/87/749313387.db2.gz IHEKXLZBWQXEQI-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996375233 749543384 /nfs/dbraw/zinc/54/33/84/749543384.db2.gz URLPQEZKMKZYRJ-OAHLLOKOSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=C)Cl)CC1 ZINC000996685189 749907110 /nfs/dbraw/zinc/90/71/10/749907110.db2.gz NFLLAJDWULHASL-HNNXBMFYSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=C)Cl)CC1 ZINC000996685189 749907117 /nfs/dbraw/zinc/90/71/17/749907117.db2.gz NFLLAJDWULHASL-HNNXBMFYSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001039393641 761993413 /nfs/dbraw/zinc/99/34/13/761993413.db2.gz DUKWZVGVEYXEGU-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039393641 761993420 /nfs/dbraw/zinc/99/34/20/761993420.db2.gz DUKWZVGVEYXEGU-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C ZINC001039393641 761993429 /nfs/dbraw/zinc/99/34/29/761993429.db2.gz DUKWZVGVEYXEGU-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005392127 749961128 /nfs/dbraw/zinc/96/11/28/749961128.db2.gz WVVNNTADOXSZHX-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3nccn31)C2 ZINC001095533890 750019940 /nfs/dbraw/zinc/01/99/40/750019940.db2.gz RTAWFIBZNGDCOZ-QPSCCSFWSA-N 2 1 300.406 1.668 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095533890 750019949 /nfs/dbraw/zinc/01/99/49/750019949.db2.gz RTAWFIBZNGDCOZ-QPSCCSFWSA-N 2 1 300.406 1.668 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001128774941 750064978 /nfs/dbraw/zinc/06/49/78/750064978.db2.gz ZQSMHTISEITZGP-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034492124 750480185 /nfs/dbraw/zinc/48/01/85/750480185.db2.gz YKNROLORIDYURT-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034492124 750480187 /nfs/dbraw/zinc/48/01/87/750480187.db2.gz YKNROLORIDYURT-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411265 750628152 /nfs/dbraw/zinc/62/81/52/750628152.db2.gz KQXKELQGISACSH-HZMVEIRTSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001039470878 762060157 /nfs/dbraw/zinc/06/01/57/762060157.db2.gz XGWNFULSRMFYIJ-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001039470878 762060166 /nfs/dbraw/zinc/06/01/66/762060166.db2.gz XGWNFULSRMFYIJ-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089905153 750701889 /nfs/dbraw/zinc/70/18/89/750701889.db2.gz HCBFRJLJYRHLTN-MHORFTMASA-N 2 1 315.461 1.274 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001034719080 750766230 /nfs/dbraw/zinc/76/62/30/750766230.db2.gz PYDLFSBPAFVNGV-JYJNAYRXSA-N 2 1 316.449 1.957 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001035257916 751335637 /nfs/dbraw/zinc/33/56/37/751335637.db2.gz ATHADPVEQKNLEP-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035257916 751335643 /nfs/dbraw/zinc/33/56/43/751335643.db2.gz ATHADPVEQKNLEP-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001035257916 751335650 /nfs/dbraw/zinc/33/56/50/751335650.db2.gz ATHADPVEQKNLEP-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007951500 752459460 /nfs/dbraw/zinc/45/94/60/752459460.db2.gz JLNPKFODOJCZTJ-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007951500 752459464 /nfs/dbraw/zinc/45/94/64/752459464.db2.gz JLNPKFODOJCZTJ-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533492 752786259 /nfs/dbraw/zinc/78/62/59/752786259.db2.gz MDBYUFCUKKDRBJ-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533492 752786263 /nfs/dbraw/zinc/78/62/63/752786263.db2.gz MDBYUFCUKKDRBJ-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999554733 752991821 /nfs/dbraw/zinc/99/18/21/752991821.db2.gz BYVXPTAPXRHTFP-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757791 754496039 /nfs/dbraw/zinc/49/60/39/754496039.db2.gz XPNQROIUPFTXIL-KRWDZBQOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001080208706 755764961 /nfs/dbraw/zinc/76/49/61/755764961.db2.gz SNFLJYJUCBJKEY-RHSMWYFYSA-N 2 1 308.385 1.556 20 30 DDEDMP C#CCN1C[C@@H](C)[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001080208706 755764963 /nfs/dbraw/zinc/76/49/63/755764963.db2.gz SNFLJYJUCBJKEY-RHSMWYFYSA-N 2 1 308.385 1.556 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795565 756109548 /nfs/dbraw/zinc/10/95/48/756109548.db2.gz WRSWFWPLSGXQQZ-UKRRQHHQSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795565 756109554 /nfs/dbraw/zinc/10/95/54/756109554.db2.gz WRSWFWPLSGXQQZ-UKRRQHHQSA-N 2 1 302.422 1.774 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619938 756418552 /nfs/dbraw/zinc/41/85/52/756418552.db2.gz FYMCQQMGANTEAW-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619938 756418556 /nfs/dbraw/zinc/41/85/56/756418556.db2.gz FYMCQQMGANTEAW-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799088 756484473 /nfs/dbraw/zinc/48/44/73/756484473.db2.gz BSVRQWZKLSPPGM-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799088 756484475 /nfs/dbraw/zinc/48/44/75/756484475.db2.gz BSVRQWZKLSPPGM-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799088 756484478 /nfs/dbraw/zinc/48/44/78/756484478.db2.gz BSVRQWZKLSPPGM-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001082198532 756673163 /nfs/dbraw/zinc/67/31/63/756673163.db2.gz ASCFYJCCCMRPDI-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082198532 756673168 /nfs/dbraw/zinc/67/31/68/756673168.db2.gz ASCFYJCCCMRPDI-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082198532 756673173 /nfs/dbraw/zinc/67/31/73/756673173.db2.gz ASCFYJCCCMRPDI-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001082198532 756673179 /nfs/dbraw/zinc/67/31/79/756673179.db2.gz ASCFYJCCCMRPDI-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164538869 756767918 /nfs/dbraw/zinc/76/79/18/756767918.db2.gz ODGKPZROIAZAAW-CVEARBPZSA-N 2 1 311.470 1.546 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083080330 757124645 /nfs/dbraw/zinc/12/46/45/757124645.db2.gz NEBZFNAWBVVPMW-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083080330 757124656 /nfs/dbraw/zinc/12/46/56/757124656.db2.gz NEBZFNAWBVVPMW-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080330 757124660 /nfs/dbraw/zinc/12/46/60/757124660.db2.gz NEBZFNAWBVVPMW-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083080330 757124668 /nfs/dbraw/zinc/12/46/68/757124668.db2.gz NEBZFNAWBVVPMW-YESZJQIVSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016687371 757268003 /nfs/dbraw/zinc/26/80/03/757268003.db2.gz IFVAXMNYKTUUTC-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084702260 757794288 /nfs/dbraw/zinc/79/42/88/757794288.db2.gz OZHWHEPKPXWNPX-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722523 757815617 /nfs/dbraw/zinc/81/56/17/757815617.db2.gz SQHJSFXCZQEITI-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722523 757815626 /nfs/dbraw/zinc/81/56/26/757815626.db2.gz SQHJSFXCZQEITI-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001052857860 757887088 /nfs/dbraw/zinc/88/70/88/757887088.db2.gz WENXSBUSVVCCQM-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001052955428 758005875 /nfs/dbraw/zinc/00/58/75/758005875.db2.gz FSQHUKKYJBWSNR-KRWDZBQOSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017558019 758028027 /nfs/dbraw/zinc/02/80/27/758028027.db2.gz WHOQHTAGLHKXFY-BBWFWOEESA-N 2 1 303.450 1.580 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084905756 758044628 /nfs/dbraw/zinc/04/46/28/758044628.db2.gz LVIRPFWTOYPJEY-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084905756 758044640 /nfs/dbraw/zinc/04/46/40/758044640.db2.gz LVIRPFWTOYPJEY-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084905756 758044654 /nfs/dbraw/zinc/04/46/54/758044654.db2.gz LVIRPFWTOYPJEY-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@@H]21 ZINC001084997844 758132027 /nfs/dbraw/zinc/13/20/27/758132027.db2.gz CDABDJDQKTWWEC-BPQIPLTHSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018024917 758485427 /nfs/dbraw/zinc/48/54/27/758485427.db2.gz CUVUOTYQPUSCED-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001018024917 758485430 /nfs/dbraw/zinc/48/54/30/758485430.db2.gz CUVUOTYQPUSCED-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001053924732 758960096 /nfs/dbraw/zinc/96/00/96/758960096.db2.gz BPFMLOBWVVOIFH-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001053924732 758960099 /nfs/dbraw/zinc/96/00/99/758960099.db2.gz BPFMLOBWVVOIFH-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018629016 759048435 /nfs/dbraw/zinc/04/84/35/759048435.db2.gz XKGDDXCDNADJKQ-SWLSCSKDSA-N 2 1 318.446 1.404 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145330 759221735 /nfs/dbraw/zinc/22/17/35/759221735.db2.gz NMXRLPQJYNWKAP-MJGOQNOKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153808 759235878 /nfs/dbraw/zinc/23/58/78/759235878.db2.gz ZZDILIFGUMHPAQ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153808 759235880 /nfs/dbraw/zinc/23/58/80/759235880.db2.gz ZZDILIFGUMHPAQ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153808 759235886 /nfs/dbraw/zinc/23/58/86/759235886.db2.gz ZZDILIFGUMHPAQ-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054198558 759285767 /nfs/dbraw/zinc/28/57/67/759285767.db2.gz ZRCBZPVVQMIMDM-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198558 759285770 /nfs/dbraw/zinc/28/57/70/759285770.db2.gz ZRCBZPVVQMIMDM-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054198558 759285775 /nfs/dbraw/zinc/28/57/75/759285775.db2.gz ZRCBZPVVQMIMDM-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229184 759319385 /nfs/dbraw/zinc/31/93/85/759319385.db2.gz MEIYSRCGESQJCR-GOSISDBHSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001085647029 759923066 /nfs/dbraw/zinc/92/30/66/759923066.db2.gz ZZXVCVCIGHFFRV-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001085647029 759923070 /nfs/dbraw/zinc/92/30/70/759923070.db2.gz ZZXVCVCIGHFFRV-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)C ZINC001085647029 759923074 /nfs/dbraw/zinc/92/30/74/759923074.db2.gz ZZXVCVCIGHFFRV-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC(C)C ZINC001085647029 759923078 /nfs/dbraw/zinc/92/30/78/759923078.db2.gz ZZXVCVCIGHFFRV-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001038247816 760944911 /nfs/dbraw/zinc/94/49/11/760944911.db2.gz JZXBNBBBYHPEMD-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001038247816 760944916 /nfs/dbraw/zinc/94/49/16/760944916.db2.gz JZXBNBBBYHPEMD-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001038247816 760944919 /nfs/dbraw/zinc/94/49/19/760944919.db2.gz JZXBNBBBYHPEMD-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001108260020 761316921 /nfs/dbraw/zinc/31/69/21/761316921.db2.gz HOASHWDRESEGDE-GOSISDBHSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCCC2)CC1 ZINC001039041259 761682123 /nfs/dbraw/zinc/68/21/23/761682123.db2.gz BBLUXXVVSYUDNQ-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173002 761797297 /nfs/dbraw/zinc/79/72/97/761797297.db2.gz KWENTWZACZFEAL-KRWDZBQOSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173002 761797302 /nfs/dbraw/zinc/79/73/02/761797302.db2.gz KWENTWZACZFEAL-KRWDZBQOSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848272 762704242 /nfs/dbraw/zinc/70/42/42/762704242.db2.gz HHDQHYFYZCJSKS-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041286328 762933951 /nfs/dbraw/zinc/93/39/51/762933951.db2.gz JUJMEXYOFBEUNI-PKOBYXMFSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001041349308 762973361 /nfs/dbraw/zinc/97/33/61/762973361.db2.gz MVEJWMWVHZLKLX-MJGOQNOKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349308 762973367 /nfs/dbraw/zinc/97/33/67/762973367.db2.gz MVEJWMWVHZLKLX-MJGOQNOKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001041349308 762973376 /nfs/dbraw/zinc/97/33/76/762973376.db2.gz MVEJWMWVHZLKLX-MJGOQNOKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050121863 763169603 /nfs/dbraw/zinc/16/96/03/763169603.db2.gz GHVPCSIJGFSSIC-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121863 763169608 /nfs/dbraw/zinc/16/96/08/763169608.db2.gz GHVPCSIJGFSSIC-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121863 763169613 /nfs/dbraw/zinc/16/96/13/763169613.db2.gz GHVPCSIJGFSSIC-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139437 763201955 /nfs/dbraw/zinc/20/19/55/763201955.db2.gz BGZSDYHRQHMQFQ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139437 763201961 /nfs/dbraw/zinc/20/19/61/763201961.db2.gz BGZSDYHRQHMQFQ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001050139437 763201969 /nfs/dbraw/zinc/20/19/69/763201969.db2.gz BGZSDYHRQHMQFQ-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001050208932 763326287 /nfs/dbraw/zinc/32/62/87/763326287.db2.gz WQJICWWOMQUIMZ-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001050550249 763743166 /nfs/dbraw/zinc/74/31/66/763743166.db2.gz IWPGJWVDDPQHPZ-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)CC2 ZINC001050550249 763743171 /nfs/dbraw/zinc/74/31/71/763743171.db2.gz IWPGJWVDDPQHPZ-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564534 763759089 /nfs/dbraw/zinc/75/90/89/763759089.db2.gz QPYKPEGTRIWTAW-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001050564534 763759092 /nfs/dbraw/zinc/75/90/92/763759092.db2.gz QPYKPEGTRIWTAW-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042271038 763845995 /nfs/dbraw/zinc/84/59/95/763845995.db2.gz VUZHVNCIPPVBNB-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042271038 763846003 /nfs/dbraw/zinc/84/60/03/763846003.db2.gz VUZHVNCIPPVBNB-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316391 763907206 /nfs/dbraw/zinc/90/72/06/763907206.db2.gz LNHHNEZWCAQPTI-RHSMWYFYSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]21 ZINC001042316391 763907211 /nfs/dbraw/zinc/90/72/11/763907211.db2.gz LNHHNEZWCAQPTI-RHSMWYFYSA-N 2 1 314.433 1.870 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050729890 763969894 /nfs/dbraw/zinc/96/98/94/763969894.db2.gz DOEHWGHQJGRNKG-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131692187 768275382 /nfs/dbraw/zinc/27/53/82/768275382.db2.gz FLPPVGCDJWVLRR-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052444860 765836026 /nfs/dbraw/zinc/83/60/26/765836026.db2.gz IIYXPOWTEUBGMX-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052444860 765836035 /nfs/dbraw/zinc/83/60/35/765836035.db2.gz IIYXPOWTEUBGMX-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052444860 765836045 /nfs/dbraw/zinc/83/60/45/765836045.db2.gz IIYXPOWTEUBGMX-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC001052458164 765846970 /nfs/dbraw/zinc/84/69/70/765846970.db2.gz ZCRVHXBEKDOPKM-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCF)CC1 ZINC001052458164 765846978 /nfs/dbraw/zinc/84/69/78/765846978.db2.gz ZCRVHXBEKDOPKM-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCF)CC1 ZINC001052458164 765846987 /nfs/dbraw/zinc/84/69/87/765846987.db2.gz ZCRVHXBEKDOPKM-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCF)CC1 ZINC001052458164 765846996 /nfs/dbraw/zinc/84/69/96/765846996.db2.gz ZCRVHXBEKDOPKM-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052529409 765925070 /nfs/dbraw/zinc/92/50/70/765925070.db2.gz QQSPOZODWFZGPJ-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001045947698 766731338 /nfs/dbraw/zinc/73/13/38/766731338.db2.gz HUGDEYDJJLWYKT-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045947698 766731344 /nfs/dbraw/zinc/73/13/44/766731344.db2.gz HUGDEYDJJLWYKT-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001045947698 766731347 /nfs/dbraw/zinc/73/13/47/766731347.db2.gz HUGDEYDJJLWYKT-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001045980123 766757544 /nfs/dbraw/zinc/75/75/44/766757544.db2.gz RREQTWQAKGZFPH-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980123 766757546 /nfs/dbraw/zinc/75/75/46/766757546.db2.gz RREQTWQAKGZFPH-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001045980123 766757547 /nfs/dbraw/zinc/75/75/47/766757547.db2.gz RREQTWQAKGZFPH-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045979511 766757989 /nfs/dbraw/zinc/75/79/89/766757989.db2.gz GPSZXFJZURPKFN-SFHVURJKSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1cccs1 ZINC001129770353 766997876 /nfs/dbraw/zinc/99/78/76/766997876.db2.gz DQNKGWVZFJJWJJ-HNNXBMFYSA-N 2 1 305.447 1.094 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1cccs1 ZINC001129770353 766997879 /nfs/dbraw/zinc/99/78/79/766997879.db2.gz DQNKGWVZFJJWJJ-HNNXBMFYSA-N 2 1 305.447 1.094 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001129770211 766997950 /nfs/dbraw/zinc/99/79/50/766997950.db2.gz CUPGBUWKFQAOPK-KRWDZBQOSA-N 2 1 317.408 1.438 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(F)c1 ZINC001129770211 766997954 /nfs/dbraw/zinc/99/79/54/766997954.db2.gz CUPGBUWKFQAOPK-KRWDZBQOSA-N 2 1 317.408 1.438 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157950875 767507215 /nfs/dbraw/zinc/50/72/15/767507215.db2.gz IMISHOKAJXXVAZ-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157950875 767507220 /nfs/dbraw/zinc/50/72/20/767507220.db2.gz IMISHOKAJXXVAZ-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001157950875 767507224 /nfs/dbraw/zinc/50/72/24/767507224.db2.gz IMISHOKAJXXVAZ-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104877 767643890 /nfs/dbraw/zinc/64/38/90/767643890.db2.gz REANEBRXFVHQOD-VSZNYVQBSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104877 767643893 /nfs/dbraw/zinc/64/38/93/767643893.db2.gz REANEBRXFVHQOD-VSZNYVQBSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096104877 767643896 /nfs/dbraw/zinc/64/38/96/767643896.db2.gz REANEBRXFVHQOD-VSZNYVQBSA-N 2 1 317.477 1.994 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096104877 767643897 /nfs/dbraw/zinc/64/38/97/767643897.db2.gz REANEBRXFVHQOD-VSZNYVQBSA-N 2 1 317.477 1.994 20 30 DDEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001070400193 768443771 /nfs/dbraw/zinc/44/37/71/768443771.db2.gz TZGWQRVKDYOXMK-ZFWWWQNUSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400193 768443777 /nfs/dbraw/zinc/44/37/77/768443777.db2.gz TZGWQRVKDYOXMK-ZFWWWQNUSA-N 2 1 317.437 1.095 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070400193 768443784 /nfs/dbraw/zinc/44/37/84/768443784.db2.gz TZGWQRVKDYOXMK-ZFWWWQNUSA-N 2 1 317.437 1.095 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107501 768632189 /nfs/dbraw/zinc/63/21/89/768632189.db2.gz ZNOFIPWOALYJCA-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132107501 768632191 /nfs/dbraw/zinc/63/21/91/768632191.db2.gz ZNOFIPWOALYJCA-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132107501 768632193 /nfs/dbraw/zinc/63/21/93/768632193.db2.gz ZNOFIPWOALYJCA-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132107501 768632194 /nfs/dbraw/zinc/63/21/94/768632194.db2.gz ZNOFIPWOALYJCA-HZPDHXFCSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133315831 769704693 /nfs/dbraw/zinc/70/46/93/769704693.db2.gz XMGCZQVQUUUDHC-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001133347088 769728832 /nfs/dbraw/zinc/72/88/32/769728832.db2.gz SESHTTMKSXFRBA-SJORKVTESA-N 2 1 323.481 1.051 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001048870139 770020932 /nfs/dbraw/zinc/02/09/32/770020932.db2.gz PXEDROGPKYJUTP-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001048870139 770020945 /nfs/dbraw/zinc/02/09/45/770020945.db2.gz PXEDROGPKYJUTP-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001048870139 770020953 /nfs/dbraw/zinc/02/09/53/770020953.db2.gz PXEDROGPKYJUTP-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(C)C)C[C@@H]2C1 ZINC001048870139 770020965 /nfs/dbraw/zinc/02/09/65/770020965.db2.gz PXEDROGPKYJUTP-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@H]2C1 ZINC001049190800 770523011 /nfs/dbraw/zinc/52/30/11/770523011.db2.gz HEARQJQOSXDCBW-BETUJISGSA-N 2 1 308.813 1.403 20 30 DDEDMP C=C(Cl)CN1C[C@@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@@H]2C1 ZINC001049190800 770523015 /nfs/dbraw/zinc/52/30/15/770523015.db2.gz HEARQJQOSXDCBW-BETUJISGSA-N 2 1 308.813 1.403 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478310 770905104 /nfs/dbraw/zinc/90/51/04/770905104.db2.gz MQUXCVGMMNWTIR-KZNAEPCWSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049840073 771198811 /nfs/dbraw/zinc/19/88/11/771198811.db2.gz MDJOHKIQLMNPLZ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049840073 771198812 /nfs/dbraw/zinc/19/88/12/771198812.db2.gz MDJOHKIQLMNPLZ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049840073 771198815 /nfs/dbraw/zinc/19/88/15/771198815.db2.gz MDJOHKIQLMNPLZ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899986 771244052 /nfs/dbraw/zinc/24/40/52/771244052.db2.gz HYPJICAMKOIPRD-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899986 771244058 /nfs/dbraw/zinc/24/40/58/771244058.db2.gz HYPJICAMKOIPRD-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001049914909 771254702 /nfs/dbraw/zinc/25/47/02/771254702.db2.gz SFFVGSUDHSZHRF-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001135678760 771646084 /nfs/dbraw/zinc/64/60/84/771646084.db2.gz HZNJGCDTSZFBRM-CABCVRRESA-N 2 1 304.438 1.868 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086787119 771729278 /nfs/dbraw/zinc/72/92/78/771729278.db2.gz FBLWRPBIFKIINR-HRCADAONSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001086819999 771896309 /nfs/dbraw/zinc/89/63/09/771896309.db2.gz LEFIHTDURCKIBK-BBWFWOEESA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146334711 772842437 /nfs/dbraw/zinc/84/24/37/772842437.db2.gz ZRUPXWCHYPAYGH-ZIAGYGMSSA-N 2 1 308.426 1.267 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091819445 773828302 /nfs/dbraw/zinc/82/83/02/773828302.db2.gz ZKKAELBOIAKVCQ-AEFFLSMTSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203705 774004779 /nfs/dbraw/zinc/00/47/79/774004779.db2.gz VCSRSXGCTJLERS-AEFFLSMTSA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036736491 774430132 /nfs/dbraw/zinc/43/01/32/774430132.db2.gz AKUTUQGNJXURQQ-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036736491 774430134 /nfs/dbraw/zinc/43/01/34/774430134.db2.gz AKUTUQGNJXURQQ-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036736491 774430136 /nfs/dbraw/zinc/43/01/36/774430136.db2.gz AKUTUQGNJXURQQ-DOTOQJQBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773473 774567015 /nfs/dbraw/zinc/56/70/15/774567015.db2.gz ODIRYLLPIDAGTF-QAPCUYQASA-N 2 1 322.412 1.894 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036793566 774642498 /nfs/dbraw/zinc/64/24/98/774642498.db2.gz HFIRTLMOTITKSJ-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794568 774643076 /nfs/dbraw/zinc/64/30/76/774643076.db2.gz XRCJQADRJBVXNR-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111459692 774674383 /nfs/dbraw/zinc/67/43/83/774674383.db2.gz FUYWZEPFSCNLBG-ZACQAIPSSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841937 774894244 /nfs/dbraw/zinc/89/42/44/774894244.db2.gz HTQAFGPLDNWSRX-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]21 ZINC001036841937 774894252 /nfs/dbraw/zinc/89/42/52/774894252.db2.gz HTQAFGPLDNWSRX-IRXDYDNUSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001093597300 774902054 /nfs/dbraw/zinc/90/20/54/774902054.db2.gz ZARIZBGRQKHLGC-OAHLLOKOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001093597300 774902058 /nfs/dbraw/zinc/90/20/58/774902058.db2.gz ZARIZBGRQKHLGC-OAHLLOKOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC2(CCOCC2)C1 ZINC001099595064 775054177 /nfs/dbraw/zinc/05/41/77/775054177.db2.gz RXBKKTSREJNHSV-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001094583031 776056253 /nfs/dbraw/zinc/05/62/53/776056253.db2.gz MIZSINDSKZMURV-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001094583031 776056258 /nfs/dbraw/zinc/05/62/58/776056258.db2.gz MIZSINDSKZMURV-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094583031 776056267 /nfs/dbraw/zinc/05/62/67/776056267.db2.gz MIZSINDSKZMURV-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001094583031 776056276 /nfs/dbraw/zinc/05/62/76/776056276.db2.gz MIZSINDSKZMURV-LZLYRXPVSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102013366 777795228 /nfs/dbraw/zinc/79/52/28/777795228.db2.gz WMRNXZULWXVDCT-BZUAXINKSA-N 2 1 311.445 1.374 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547392 778035757 /nfs/dbraw/zinc/03/57/57/778035757.db2.gz RNYVBVLPJXYGGL-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547392 778035768 /nfs/dbraw/zinc/03/57/68/778035768.db2.gz RNYVBVLPJXYGGL-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547392 778035779 /nfs/dbraw/zinc/03/57/79/778035779.db2.gz RNYVBVLPJXYGGL-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165431 778075976 /nfs/dbraw/zinc/07/59/76/778075976.db2.gz LJTKIXYBEQSHMK-IAGOWNOFSA-N 2 1 323.481 1.243 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC#CC)C[C@H]1C ZINC001103099692 778639077 /nfs/dbraw/zinc/63/90/77/778639077.db2.gz TXYOFWVEYLXKGW-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC#CC)C[C@H]1C ZINC001103099692 778639083 /nfs/dbraw/zinc/63/90/83/778639083.db2.gz TXYOFWVEYLXKGW-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC#CC)C[C@H]1C ZINC001103099692 778639087 /nfs/dbraw/zinc/63/90/87/778639087.db2.gz TXYOFWVEYLXKGW-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC#CC)C[C@H]1C ZINC001103099692 778639090 /nfs/dbraw/zinc/63/90/90/778639090.db2.gz TXYOFWVEYLXKGW-KURKYZTESA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185284 779358680 /nfs/dbraw/zinc/35/86/80/779358680.db2.gz BPJOWJQTHKYFKL-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001180332113 779732803 /nfs/dbraw/zinc/73/28/03/779732803.db2.gz UDEVBMKVDQRVJZ-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001180332113 779732809 /nfs/dbraw/zinc/73/28/09/779732809.db2.gz UDEVBMKVDQRVJZ-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401415 779759345 /nfs/dbraw/zinc/75/93/45/779759345.db2.gz CFYURDOSELMQCU-LPHOPBHVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001115461830 780152699 /nfs/dbraw/zinc/15/26/99/780152699.db2.gz FTSKDWAJJQRMAY-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001115461830 780152705 /nfs/dbraw/zinc/15/27/05/780152705.db2.gz FTSKDWAJJQRMAY-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[NH2+][C@H](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001267144840 837413400 /nfs/dbraw/zinc/41/34/00/837413400.db2.gz HJXYVVWYAAOCRH-CQSZACIVSA-N 2 1 318.421 1.392 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266965912 837124643 /nfs/dbraw/zinc/12/46/43/837124643.db2.gz XUZZULWHUCPIBE-UKRRQHHQSA-N 2 1 304.438 1.814 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001267004902 837173936 /nfs/dbraw/zinc/17/39/36/837173936.db2.gz LUXNSXDUDUHDEB-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267086281 837316082 /nfs/dbraw/zinc/31/60/82/837316082.db2.gz UFFCTJGMDBZYCQ-ZIAGYGMSSA-N 2 1 320.437 1.943 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(CN(C)C)on2)C1 ZINC001025460711 838464897 /nfs/dbraw/zinc/46/48/97/838464897.db2.gz LJQRDOXERBTPHC-KBPBESRZSA-N 2 1 318.421 1.200 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CN(C)CCc2ccccc2)C1 ZINC001267749941 838846445 /nfs/dbraw/zinc/84/64/45/838846445.db2.gz WPGZINYUNRZCHZ-GOSISDBHSA-N 2 1 315.461 1.928 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001267749941 838846468 /nfs/dbraw/zinc/84/64/68/838846468.db2.gz WPGZINYUNRZCHZ-GOSISDBHSA-N 2 1 315.461 1.928 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001267749941 838846478 /nfs/dbraw/zinc/84/64/78/838846478.db2.gz WPGZINYUNRZCHZ-GOSISDBHSA-N 2 1 315.461 1.928 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001267749941 838846490 /nfs/dbraw/zinc/84/64/90/838846490.db2.gz WPGZINYUNRZCHZ-GOSISDBHSA-N 2 1 315.461 1.928 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH+](C)CC#CCOC)CC1 ZINC001267758875 838877217 /nfs/dbraw/zinc/87/72/17/838877217.db2.gz RLZNGDDXWJPQCB-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP CCC[NH+](C)CC(=O)N1CCC(C[N@H+](C)CC#CCOC)CC1 ZINC001267758875 838877226 /nfs/dbraw/zinc/87/72/26/838877226.db2.gz RLZNGDDXWJPQCB-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP CCC[NH+](C)CC(=O)N1CCC(C[N@@H+](C)CC#CCOC)CC1 ZINC001267758875 838877233 /nfs/dbraw/zinc/87/72/33/838877233.db2.gz RLZNGDDXWJPQCB-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267999129 839350125 /nfs/dbraw/zinc/35/01/25/839350125.db2.gz SJVWHECVANJIAV-HIFRSBDPSA-N 2 1 304.438 1.672 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)CCN(C)CC#Cc1ccccc1 ZINC001268254863 839901919 /nfs/dbraw/zinc/90/19/19/839901919.db2.gz FSGWFTCBJBNMFQ-UHFFFAOYSA-N 2 1 315.461 1.770 20 30 DDEDMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)CC#Cc1ccccc1 ZINC001268254863 839901925 /nfs/dbraw/zinc/90/19/25/839901925.db2.gz FSGWFTCBJBNMFQ-UHFFFAOYSA-N 2 1 315.461 1.770 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)CC#Cc1ccccc1 ZINC001268254863 839901938 /nfs/dbraw/zinc/90/19/38/839901938.db2.gz FSGWFTCBJBNMFQ-UHFFFAOYSA-N 2 1 315.461 1.770 20 30 DDEDMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1 ZINC001268254863 839901957 /nfs/dbraw/zinc/90/19/57/839901957.db2.gz FSGWFTCBJBNMFQ-UHFFFAOYSA-N 2 1 315.461 1.770 20 30 DDEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268793335 840819729 /nfs/dbraw/zinc/81/97/29/840819729.db2.gz OJNGFSKCTTZOPI-UONOGXRCSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001269241398 841408053 /nfs/dbraw/zinc/40/80/53/841408053.db2.gz ULAKZOQWHPGGRJ-BZUAXINKSA-N 2 1 309.454 1.062 20 30 DDEDMP C#CCC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001270157788 842340489 /nfs/dbraw/zinc/34/04/89/842340489.db2.gz JPQBTHNMFDIZAX-UHFFFAOYSA-N 2 1 302.422 1.433 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001270624453 842744021 /nfs/dbraw/zinc/74/40/21/842744021.db2.gz QCCODJJMYWAUFM-ROUUACIJSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001270624453 842744030 /nfs/dbraw/zinc/74/40/30/842744030.db2.gz QCCODJJMYWAUFM-ROUUACIJSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001270624453 842744038 /nfs/dbraw/zinc/74/40/38/842744038.db2.gz QCCODJJMYWAUFM-ROUUACIJSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001270624453 842744042 /nfs/dbraw/zinc/74/40/42/842744042.db2.gz QCCODJJMYWAUFM-ROUUACIJSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001270825328 842936229 /nfs/dbraw/zinc/93/62/29/842936229.db2.gz AAPCTBDDXUOPCH-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001270825328 842936234 /nfs/dbraw/zinc/93/62/34/842936234.db2.gz AAPCTBDDXUOPCH-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001271678754 843777727 /nfs/dbraw/zinc/77/77/27/843777727.db2.gz STAKEPQXASTQTH-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023563 861656626 /nfs/dbraw/zinc/65/66/26/861656626.db2.gz JPYHQJHSTPCSRV-CYBMUJFWSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023563 861656639 /nfs/dbraw/zinc/65/66/39/861656639.db2.gz JPYHQJHSTPCSRV-CYBMUJFWSA-N 2 1 301.862 1.907 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001272533722 846282791 /nfs/dbraw/zinc/28/27/91/846282791.db2.gz IUSOLSJJEBCRLD-ROUUACIJSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273030930 847813311 /nfs/dbraw/zinc/81/33/11/847813311.db2.gz RHQPWERBGXJGNB-SFHVURJKSA-N 2 1 303.450 1.324 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001034148705 848036300 /nfs/dbraw/zinc/03/63/00/848036300.db2.gz NVIWFBOXTMNRAJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001034148705 848036307 /nfs/dbraw/zinc/03/63/07/848036307.db2.gz NVIWFBOXTMNRAJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148705 848036315 /nfs/dbraw/zinc/03/63/15/848036315.db2.gz NVIWFBOXTMNRAJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001034148705 848036321 /nfs/dbraw/zinc/03/63/21/848036321.db2.gz NVIWFBOXTMNRAJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249958 848157211 /nfs/dbraw/zinc/15/72/11/848157211.db2.gz NNDVYWYDLALEJT-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034249958 848157216 /nfs/dbraw/zinc/15/72/16/848157216.db2.gz NNDVYWYDLALEJT-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244086 861891767 /nfs/dbraw/zinc/89/17/67/861891767.db2.gz DQESOKKRWRVNIT-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244086 861891790 /nfs/dbraw/zinc/89/17/90/861891790.db2.gz DQESOKKRWRVNIT-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329585 848334725 /nfs/dbraw/zinc/33/47/25/848334725.db2.gz ICFCSGNDNPSLKW-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329642 848335783 /nfs/dbraw/zinc/33/57/83/848335783.db2.gz ILFPSYDGJDGGRE-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329642 848335790 /nfs/dbraw/zinc/33/57/90/848335790.db2.gz ILFPSYDGJDGGRE-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001273144248 848564956 /nfs/dbraw/zinc/56/49/56/848564956.db2.gz OLUDVZCKYDZFCS-SJLPKXTDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001273144248 848564964 /nfs/dbraw/zinc/56/49/64/848564964.db2.gz OLUDVZCKYDZFCS-SJLPKXTDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001273144248 848564969 /nfs/dbraw/zinc/56/49/69/848564969.db2.gz OLUDVZCKYDZFCS-SJLPKXTDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001273144248 848564974 /nfs/dbraw/zinc/56/49/74/848564974.db2.gz OLUDVZCKYDZFCS-SJLPKXTDSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCC1 ZINC001273173230 848631157 /nfs/dbraw/zinc/63/11/57/848631157.db2.gz HRGGWIVLDNTIAA-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855146 861945377 /nfs/dbraw/zinc/94/53/77/861945377.db2.gz WATMNECSZGDALN-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855146 861945389 /nfs/dbraw/zinc/94/53/89/861945389.db2.gz WATMNECSZGDALN-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855146 861945392 /nfs/dbraw/zinc/94/53/92/861945392.db2.gz WATMNECSZGDALN-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001149890496 861964426 /nfs/dbraw/zinc/96/44/26/861964426.db2.gz RIVDZMWHJUIULY-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001149890496 861964432 /nfs/dbraw/zinc/96/44/32/861964432.db2.gz RIVDZMWHJUIULY-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001149890496 861964437 /nfs/dbraw/zinc/96/44/37/861964437.db2.gz RIVDZMWHJUIULY-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001273795810 851353655 /nfs/dbraw/zinc/35/36/55/851353655.db2.gz PHQPVLMSSZPRHB-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C[NH+]1CCC([N@@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001273826997 851393474 /nfs/dbraw/zinc/39/34/74/851393474.db2.gz KPPUKDMJOCREHB-QGZVFWFLSA-N 2 1 304.438 1.309 20 30 DDEDMP C[NH+]1CCC([N@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001273826997 851393477 /nfs/dbraw/zinc/39/34/77/851393477.db2.gz KPPUKDMJOCREHB-QGZVFWFLSA-N 2 1 304.438 1.309 20 30 DDEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001274398309 852230308 /nfs/dbraw/zinc/23/03/08/852230308.db2.gz JHPGQUZNMKJBRD-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001274398309 852230317 /nfs/dbraw/zinc/23/03/17/852230317.db2.gz JHPGQUZNMKJBRD-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001275526321 853281957 /nfs/dbraw/zinc/28/19/57/853281957.db2.gz DYKPALOSKJAYHH-ZIAGYGMSSA-N 2 1 311.389 1.387 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001275649598 853490276 /nfs/dbraw/zinc/49/02/76/853490276.db2.gz WUAMLVCOBNYJAT-OAHLLOKOSA-N 2 1 311.470 1.051 20 30 DDEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001275649598 853490280 /nfs/dbraw/zinc/49/02/80/853490280.db2.gz WUAMLVCOBNYJAT-OAHLLOKOSA-N 2 1 311.470 1.051 20 30 DDEDMP COCC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275649598 853490282 /nfs/dbraw/zinc/49/02/82/853490282.db2.gz WUAMLVCOBNYJAT-OAHLLOKOSA-N 2 1 311.470 1.051 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276129054 854805185 /nfs/dbraw/zinc/80/51/85/854805185.db2.gz WYVVCFITWIVPTK-UHFFFAOYSA-N 2 1 324.428 1.681 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328283917 862867577 /nfs/dbraw/zinc/86/75/77/862867577.db2.gz NDYQAZNKQDLKRL-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732792 857651044 /nfs/dbraw/zinc/65/10/44/857651044.db2.gz YEDSYYIYXLQYHP-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732792 857651048 /nfs/dbraw/zinc/65/10/48/857651048.db2.gz YEDSYYIYXLQYHP-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732792 857651050 /nfs/dbraw/zinc/65/10/50/857651050.db2.gz YEDSYYIYXLQYHP-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001072754774 857671717 /nfs/dbraw/zinc/67/17/17/857671717.db2.gz BVHBDBWTEWBPMT-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072754774 857671719 /nfs/dbraw/zinc/67/17/19/857671719.db2.gz BVHBDBWTEWBPMT-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001072754774 857671722 /nfs/dbraw/zinc/67/17/22/857671722.db2.gz BVHBDBWTEWBPMT-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847526 857793802 /nfs/dbraw/zinc/79/38/02/857793802.db2.gz NRUWAHPFQRXPLO-UHFFFAOYSA-N 2 1 317.477 1.973 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072981499 857963223 /nfs/dbraw/zinc/96/32/23/857963223.db2.gz JGLNFFWRUWRIBJ-CYBMUJFWSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001072981499 857963228 /nfs/dbraw/zinc/96/32/28/857963228.db2.gz JGLNFFWRUWRIBJ-CYBMUJFWSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072981499 857963233 /nfs/dbraw/zinc/96/32/33/857963233.db2.gz JGLNFFWRUWRIBJ-CYBMUJFWSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001072981499 857963239 /nfs/dbraw/zinc/96/32/39/857963239.db2.gz JGLNFFWRUWRIBJ-CYBMUJFWSA-N 2 1 311.857 1.615 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001121928772 858637709 /nfs/dbraw/zinc/63/77/09/858637709.db2.gz UCJCFNNFBPWVMM-CQSZACIVSA-N 3 1 317.437 1.456 20 30 DDEDMP C=CCCC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001325818721 860851729 /nfs/dbraw/zinc/85/17/29/860851729.db2.gz QVZMHXDCDPQLFS-INIZCTEOSA-N 2 1 322.497 1.075 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001329202909 863535386 /nfs/dbraw/zinc/53/53/86/863535386.db2.gz OVUCOGJAPGGHFE-JKSUJKDBSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329202909 863535394 /nfs/dbraw/zinc/53/53/94/863535394.db2.gz OVUCOGJAPGGHFE-JKSUJKDBSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)N(C)C ZINC001157153272 863615172 /nfs/dbraw/zinc/61/51/72/863615172.db2.gz GNWPAUUXLSHZHI-GDBMZVCRSA-N 2 1 302.422 1.144 20 30 DDEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001329765655 863837693 /nfs/dbraw/zinc/83/76/93/863837693.db2.gz PTWUPXLHKFFGKX-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001329765655 863837709 /nfs/dbraw/zinc/83/77/09/863837709.db2.gz PTWUPXLHKFFGKX-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001329765653 863838154 /nfs/dbraw/zinc/83/81/54/863838154.db2.gz PTWUPXLHKFFGKX-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001329765653 863838167 /nfs/dbraw/zinc/83/81/67/863838167.db2.gz PTWUPXLHKFFGKX-DLBZAZTESA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001225168353 881712269 /nfs/dbraw/zinc/71/22/69/881712269.db2.gz UWOZYRJCEDOMTP-HNNXBMFYSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225168353 881712280 /nfs/dbraw/zinc/71/22/80/881712280.db2.gz UWOZYRJCEDOMTP-HNNXBMFYSA-N 2 1 313.873 1.909 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001153802945 864117926 /nfs/dbraw/zinc/11/79/26/864117926.db2.gz OAICOJPFJOCLDZ-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001153802945 864117932 /nfs/dbraw/zinc/11/79/32/864117932.db2.gz OAICOJPFJOCLDZ-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001153802945 864117936 /nfs/dbraw/zinc/11/79/36/864117936.db2.gz OAICOJPFJOCLDZ-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001330610318 864486224 /nfs/dbraw/zinc/48/62/24/864486224.db2.gz NVOMCHFQFIAHQJ-KBUPBQIOSA-N 2 1 302.422 1.964 20 30 DDEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001330657538 864513961 /nfs/dbraw/zinc/51/39/61/864513961.db2.gz YUVIJYVTIONQBQ-IIDMSEBBSA-N 2 1 323.456 1.707 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001331374336 865042961 /nfs/dbraw/zinc/04/29/61/865042961.db2.gz JROFCANJPGTFPJ-DLBZAZTESA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001331374336 865042968 /nfs/dbraw/zinc/04/29/68/865042968.db2.gz JROFCANJPGTFPJ-DLBZAZTESA-N 2 1 318.465 1.354 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159725206 865484409 /nfs/dbraw/zinc/48/44/09/865484409.db2.gz DQUMVZZDDNNRNN-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725206 865484414 /nfs/dbraw/zinc/48/44/14/865484414.db2.gz DQUMVZZDDNNRNN-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725206 865484423 /nfs/dbraw/zinc/48/44/23/865484423.db2.gz DQUMVZZDDNNRNN-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725206 865484431 /nfs/dbraw/zinc/48/44/31/865484431.db2.gz DQUMVZZDDNNRNN-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C[N@H+]1[C@@H]2C[C@@H](Oc3ccc(CC(=[NH2+])NO)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225545779 881898339 /nfs/dbraw/zinc/89/83/39/881898339.db2.gz ILSJWGRVOYQHLY-NQPNPBMCSA-N 2 1 303.362 1.176 20 30 DDEDMP C[N@@H+]1[C@@H]2C[C@@H](Oc3ccc(CC(=[NH2+])NO)cc3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225545779 881898353 /nfs/dbraw/zinc/89/83/53/881898353.db2.gz ILSJWGRVOYQHLY-NQPNPBMCSA-N 2 1 303.362 1.176 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001160209319 865729994 /nfs/dbraw/zinc/72/99/94/865729994.db2.gz HQHHPVUOILHNLN-SJORKVTESA-N 2 1 307.482 1.862 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C[C@H](C)CC(C)C ZINC001160209319 865729996 /nfs/dbraw/zinc/72/99/96/865729996.db2.gz HQHHPVUOILHNLN-SJORKVTESA-N 2 1 307.482 1.862 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001161445470 866671705 /nfs/dbraw/zinc/67/17/05/866671705.db2.gz SHZPIFZAPRBLJK-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001161445470 866671713 /nfs/dbraw/zinc/67/17/13/866671713.db2.gz SHZPIFZAPRBLJK-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001161445470 866671723 /nfs/dbraw/zinc/67/17/23/866671723.db2.gz SHZPIFZAPRBLJK-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)Cn2c[nH+]cc2C)c(F)c1 ZINC001333474069 866778498 /nfs/dbraw/zinc/77/84/98/866778498.db2.gz WUPCHOZIAHRMAT-UHFFFAOYSA-N 2 1 314.364 1.370 20 30 DDEDMP C#CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CCF)CC1 ZINC001324441484 867280645 /nfs/dbraw/zinc/28/06/45/867280645.db2.gz OPFZFNQIPQYHON-HZPDHXFCSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[N@@H+](C)C2CCC2)(COC)CC1 ZINC001162300407 867425189 /nfs/dbraw/zinc/42/51/89/867425189.db2.gz IKQBZWAOVOCDOV-UHFFFAOYSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)(COC)CC1 ZINC001162482446 867568024 /nfs/dbraw/zinc/56/80/24/867568024.db2.gz PEDUPLTUVRNHDX-HZPDHXFCSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162576292 867656518 /nfs/dbraw/zinc/65/65/18/867656518.db2.gz CCMBZSQPPINOLX-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001325054345 867725835 /nfs/dbraw/zinc/72/58/35/867725835.db2.gz NESOYECTAHCSAH-KBPBESRZSA-N 2 1 315.408 1.423 20 30 DDEDMP CC[NH+](CC)CCNC(=[NH2+])Nc1nc(C#N)c(C#N)nc1Cl ZINC001163126890 868131633 /nfs/dbraw/zinc/13/16/33/868131633.db2.gz VLHCHSDPBYEAEO-UHFFFAOYSA-N 2 1 320.788 1.151 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001166633873 870115239 /nfs/dbraw/zinc/11/52/39/870115239.db2.gz MCGQEXXUEOQHJU-OAHLLOKOSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=C)Cl)C1 ZINC001317326741 870647854 /nfs/dbraw/zinc/64/78/54/870647854.db2.gz RGQRBAQIEQQKTO-GJZGRUSLSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=C)Cl)C1 ZINC001317326741 870647873 /nfs/dbraw/zinc/64/78/73/870647873.db2.gz RGQRBAQIEQQKTO-GJZGRUSLSA-N 2 1 309.841 1.275 20 30 DDEDMP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317382601 870744609 /nfs/dbraw/zinc/74/46/09/870744609.db2.gz SXFGAMMHGQBTIP-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317382601 870744613 /nfs/dbraw/zinc/74/46/13/870744613.db2.gz SXFGAMMHGQBTIP-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccsc1 ZINC001317479100 870895254 /nfs/dbraw/zinc/89/52/54/870895254.db2.gz AWSVALWCTGBSGH-INIZCTEOSA-N 2 1 319.474 1.784 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccsc1 ZINC001317479100 870895259 /nfs/dbraw/zinc/89/52/59/870895259.db2.gz AWSVALWCTGBSGH-INIZCTEOSA-N 2 1 319.474 1.784 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccsc1 ZINC001317479100 870895265 /nfs/dbraw/zinc/89/52/65/870895265.db2.gz AWSVALWCTGBSGH-INIZCTEOSA-N 2 1 319.474 1.784 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccsc1 ZINC001317479100 870895271 /nfs/dbraw/zinc/89/52/71/870895271.db2.gz AWSVALWCTGBSGH-INIZCTEOSA-N 2 1 319.474 1.784 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001317679134 871391934 /nfs/dbraw/zinc/39/19/34/871391934.db2.gz WRKHBAQQIVWVHJ-BQFCYCMXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001317685918 871407910 /nfs/dbraw/zinc/40/79/10/871407910.db2.gz MKBICWAXQVAUQR-HUUCEWRRSA-N 2 1 316.449 1.828 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001205464781 871567870 /nfs/dbraw/zinc/56/78/70/871567870.db2.gz WXLXGSIAQOXVMN-SFHVURJKSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](F)CC)CC1 ZINC001205479307 871574294 /nfs/dbraw/zinc/57/42/94/871574294.db2.gz FYTDWJCQGNQPTG-SJORKVTESA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](F)CC)CC1 ZINC001205479307 871574315 /nfs/dbraw/zinc/57/43/15/871574315.db2.gz FYTDWJCQGNQPTG-SJORKVTESA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001205479745 871574969 /nfs/dbraw/zinc/57/49/69/871574969.db2.gz WAJCGGARNZJKRK-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC=C(C)C)CC1 ZINC001205479745 871574981 /nfs/dbraw/zinc/57/49/81/871574981.db2.gz WAJCGGARNZJKRK-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001205483805 871577927 /nfs/dbraw/zinc/57/79/27/871577927.db2.gz SEXXLHQBGWOUII-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC001341382874 871631466 /nfs/dbraw/zinc/63/14/66/871631466.db2.gz KLCPQMBFGVUAOW-IRXDYDNUSA-N 2 1 322.497 1.297 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001341382874 871631486 /nfs/dbraw/zinc/63/14/86/871631486.db2.gz KLCPQMBFGVUAOW-IRXDYDNUSA-N 2 1 322.497 1.297 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001318532044 872134758 /nfs/dbraw/zinc/13/47/58/872134758.db2.gz XLOGZKYPBLDNFF-NVXWUHKLSA-N 2 1 305.466 1.901 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC#CCOC ZINC001316876037 872189924 /nfs/dbraw/zinc/18/99/24/872189924.db2.gz BDCMIWGGPLCBLV-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001319516701 872672557 /nfs/dbraw/zinc/67/25/57/872672557.db2.gz ZQVLSRWLZAAWEF-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001206872404 872676988 /nfs/dbraw/zinc/67/69/88/872676988.db2.gz CBCASWURJHBWTM-OAHLLOKOSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705500 873491858 /nfs/dbraw/zinc/49/18/58/873491858.db2.gz BDDYRZAZQDUYCV-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCOc1ccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001276663337 875047889 /nfs/dbraw/zinc/04/78/89/875047889.db2.gz AVIAAYOMMWIQPT-UHFFFAOYSA-N 2 1 313.445 1.378 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001209892438 875158965 /nfs/dbraw/zinc/15/89/65/875158965.db2.gz SNWVQAQORVRCLN-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[NH+]1CCC(OC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001349770333 875358432 /nfs/dbraw/zinc/35/84/32/875358432.db2.gz MEANDEJSSXJCJF-QGZVFWFLSA-N 2 1 310.413 1.840 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001381912853 882949243 /nfs/dbraw/zinc/94/92/43/882949243.db2.gz IPPMZYQRPBTTSU-ZSOGYDGISA-N 2 1 311.857 1.375 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218813721 877743012 /nfs/dbraw/zinc/74/30/12/877743012.db2.gz DPCVXQJRVXIQCI-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](O)C1 ZINC001220574597 879105115 /nfs/dbraw/zinc/10/51/15/879105115.db2.gz GHKOSSZLNCWURY-OWCLPIDISA-N 2 1 311.470 1.090 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806389 879278025 /nfs/dbraw/zinc/27/80/25/879278025.db2.gz ARPKREBTFILALV-XHSDSOJGSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)[C@@H]2C1 ZINC001221616350 879973186 /nfs/dbraw/zinc/97/31/86/879973186.db2.gz LAMQYMHFVBGCBZ-ZACQAIPSSA-N 2 1 321.465 1.062 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222789169 880699256 /nfs/dbraw/zinc/69/92/56/880699256.db2.gz FZJVXDMYNWMCCK-IKGGRYGDSA-N 2 1 323.456 1.612 20 30 DDEDMP N#CC1(C[C@H](O)C[NH+]2CCC([NH2+]C3CCOCC3)CC2)CCC1 ZINC001414030351 881110614 /nfs/dbraw/zinc/11/06/14/881110614.db2.gz ARJYLZBXLFZZQP-KRWDZBQOSA-N 2 1 321.465 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955811 881163327 /nfs/dbraw/zinc/16/33/27/881163327.db2.gz RNSLKVQLCWMOKF-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP N#CCCC[N@@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001277945113 888640604 /nfs/dbraw/zinc/64/06/04/888640604.db2.gz MUXODPUDNPCDFM-QGZVFWFLSA-N 2 1 301.438 1.975 20 30 DDEDMP N#CCCC[N@H+]1CCC[C@@]2(CC[NH+](CCn3ccnc3)C2)C1 ZINC001277945113 888640610 /nfs/dbraw/zinc/64/06/10/888640610.db2.gz MUXODPUDNPCDFM-QGZVFWFLSA-N 2 1 301.438 1.975 20 30 DDEDMP N#CCCC[NH+]1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001277945113 888640614 /nfs/dbraw/zinc/64/06/14/888640614.db2.gz MUXODPUDNPCDFM-QGZVFWFLSA-N 2 1 301.438 1.975 20 30 DDEDMP N#CCCC[NH+]1CCC[C@@]2(CC[N@@H+](CCn3ccnc3)C2)C1 ZINC001277945113 888640617 /nfs/dbraw/zinc/64/06/17/888640617.db2.gz MUXODPUDNPCDFM-QGZVFWFLSA-N 2 1 301.438 1.975 20 30 DDEDMP Cn1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N3CC[NH+]2CCCC2)cc1C#N ZINC001278059399 889520915 /nfs/dbraw/zinc/52/09/15/889520915.db2.gz CUAASTLADTVWPF-HDICACEKSA-N 2 1 313.449 1.251 20 30 DDEDMP Cn1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N3CC[NH+]2CCCC2)cc1C#N ZINC001278059399 889520932 /nfs/dbraw/zinc/52/09/32/889520932.db2.gz CUAASTLADTVWPF-HDICACEKSA-N 2 1 313.449 1.251 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001365993286 892155235 /nfs/dbraw/zinc/15/52/35/892155235.db2.gz IIYPUPCJPOEUFZ-SJORKVTESA-N 2 1 314.433 1.589 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001365993286 892155240 /nfs/dbraw/zinc/15/52/40/892155240.db2.gz IIYPUPCJPOEUFZ-SJORKVTESA-N 2 1 314.433 1.589 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246305413 892530263 /nfs/dbraw/zinc/53/02/63/892530263.db2.gz RDWPOOFJWLXSTQ-PMPSAXMXSA-N 3 1 311.470 1.579 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246307255 892530496 /nfs/dbraw/zinc/53/04/96/892530496.db2.gz LRMLMTUYDLOHJP-CVEARBPZSA-N 3 1 323.481 1.725 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001278450013 892649759 /nfs/dbraw/zinc/64/97/59/892649759.db2.gz LEIQZKGQHAVLJI-GOSISDBHSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001278450013 892649776 /nfs/dbraw/zinc/64/97/76/892649776.db2.gz LEIQZKGQHAVLJI-GOSISDBHSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001278450013 892649786 /nfs/dbraw/zinc/64/97/86/892649786.db2.gz LEIQZKGQHAVLJI-GOSISDBHSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001278450013 892649789 /nfs/dbraw/zinc/64/97/89/892649789.db2.gz LEIQZKGQHAVLJI-GOSISDBHSA-N 2 1 301.434 1.885 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1 ZINC001278663500 895115434 /nfs/dbraw/zinc/11/54/34/895115434.db2.gz MAGJXYXHIJATHF-WMZOPIPTSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001278663500 895115438 /nfs/dbraw/zinc/11/54/38/895115438.db2.gz MAGJXYXHIJATHF-WMZOPIPTSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](C(C)C)C1 ZINC001278663500 895115441 /nfs/dbraw/zinc/11/54/41/895115441.db2.gz MAGJXYXHIJATHF-WMZOPIPTSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](C(C)C)C1 ZINC001278663500 895115442 /nfs/dbraw/zinc/11/54/42/895115442.db2.gz MAGJXYXHIJATHF-WMZOPIPTSA-N 2 1 305.466 1.711 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001367039925 895648651 /nfs/dbraw/zinc/64/86/51/895648651.db2.gz RCTVSPIBQJUGEE-DOMZBBRYSA-N 2 1 320.462 1.650 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001367039925 895648659 /nfs/dbraw/zinc/64/86/59/895648659.db2.gz RCTVSPIBQJUGEE-DOMZBBRYSA-N 2 1 320.462 1.650 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001278747320 896157572 /nfs/dbraw/zinc/15/75/72/896157572.db2.gz KQJSQZOFKZKSOT-CYBMUJFWSA-N 2 1 303.397 1.588 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001279044341 897945259 /nfs/dbraw/zinc/94/52/59/897945259.db2.gz HOHBYLCEZRVKSN-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCOC ZINC001279044341 897945267 /nfs/dbraw/zinc/94/52/67/897945267.db2.gz HOHBYLCEZRVKSN-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)CCOC ZINC001279044341 897945277 /nfs/dbraw/zinc/94/52/77/897945277.db2.gz HOHBYLCEZRVKSN-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)CCOC ZINC001279044341 897945280 /nfs/dbraw/zinc/94/52/80/897945280.db2.gz HOHBYLCEZRVKSN-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001263805299 900716175 /nfs/dbraw/zinc/71/61/75/900716175.db2.gz NRZAFTLYKIGDNE-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001263805299 900716181 /nfs/dbraw/zinc/71/61/81/900716181.db2.gz NRZAFTLYKIGDNE-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@H+](C)CCOCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001264664725 901259381 /nfs/dbraw/zinc/25/93/81/901259381.db2.gz FWDNBEUFUGFQRH-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001264987806 901399887 /nfs/dbraw/zinc/39/98/87/901399887.db2.gz MBSYVWJFBULTPE-UONOGXRCSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001264987806 901399900 /nfs/dbraw/zinc/39/99/00/901399900.db2.gz MBSYVWJFBULTPE-UONOGXRCSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001264987806 901399916 /nfs/dbraw/zinc/39/99/16/901399916.db2.gz MBSYVWJFBULTPE-UONOGXRCSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001264987806 901399927 /nfs/dbraw/zinc/39/99/27/901399927.db2.gz MBSYVWJFBULTPE-UONOGXRCSA-N 2 1 301.862 1.907 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265319646 901880828 /nfs/dbraw/zinc/88/08/28/901880828.db2.gz OZIPJGPWWUTKCX-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265319646 901880837 /nfs/dbraw/zinc/88/08/37/901880837.db2.gz OZIPJGPWWUTKCX-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001265647545 902246887 /nfs/dbraw/zinc/24/68/87/902246887.db2.gz QBWPDEYZUQPVPG-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265647545 902246898 /nfs/dbraw/zinc/24/68/98/902246898.db2.gz QBWPDEYZUQPVPG-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001265647545 902246918 /nfs/dbraw/zinc/24/69/18/902246918.db2.gz QBWPDEYZUQPVPG-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001265676017 902289072 /nfs/dbraw/zinc/28/90/72/902289072.db2.gz ULTHOMKVVZMJPK-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001280408680 903643473 /nfs/dbraw/zinc/64/34/73/903643473.db2.gz HBMZXJFJPVYZFP-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001280408680 903643482 /nfs/dbraw/zinc/64/34/82/903643482.db2.gz HBMZXJFJPVYZFP-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001280408680 903643491 /nfs/dbraw/zinc/64/34/91/903643491.db2.gz HBMZXJFJPVYZFP-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001280408680 903643501 /nfs/dbraw/zinc/64/35/01/903643501.db2.gz HBMZXJFJPVYZFP-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001280873781 904139721 /nfs/dbraw/zinc/13/97/21/904139721.db2.gz PDIOGLAMHIABNH-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001282944708 906302810 /nfs/dbraw/zinc/30/28/10/906302810.db2.gz AYAKWHNKMIPCMC-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH+](C)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001284558110 909181013 /nfs/dbraw/zinc/18/10/13/909181013.db2.gz IGOCANRCZRJJPH-MRXNPFEDSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(C)C[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001284558110 909181019 /nfs/dbraw/zinc/18/10/19/909181019.db2.gz IGOCANRCZRJJPH-MRXNPFEDSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(C)C[N@@H+](C)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001284558110 909181029 /nfs/dbraw/zinc/18/10/29/909181029.db2.gz IGOCANRCZRJJPH-MRXNPFEDSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001284558110 909181033 /nfs/dbraw/zinc/18/10/33/909181033.db2.gz IGOCANRCZRJJPH-MRXNPFEDSA-N 2 1 311.470 1.452 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001373304828 909462705 /nfs/dbraw/zinc/46/27/05/909462705.db2.gz SGVKDEOWHKGNFX-KBPBESRZSA-N 2 1 301.862 1.859 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001316636635 909926456 /nfs/dbraw/zinc/92/64/56/909926456.db2.gz PQHDFCDQXWNAHI-BZUAXINKSA-N 2 1 316.449 1.814 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001374026515 911673876 /nfs/dbraw/zinc/67/38/76/911673876.db2.gz XMOKCAYPBYZOGW-KWCYVHTRSA-N 2 1 301.862 1.811 20 30 DDEDMP C[C@H](C[N@H+](C)Cc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001375094865 914935097 /nfs/dbraw/zinc/93/50/97/914935097.db2.gz ANCOTNCMJUGITP-CQSZACIVSA-N 2 1 302.422 1.446 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccccc1C#N)NC(=O)CC[NH+](C)C ZINC001375094865 914935107 /nfs/dbraw/zinc/93/51/07/914935107.db2.gz ANCOTNCMJUGITP-CQSZACIVSA-N 2 1 302.422 1.446 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCC[C@H]1O ZINC000342117297 529822801 /nfs/dbraw/zinc/82/28/01/529822801.db2.gz ASKMUQWZBQSYOK-TVFCKZIOSA-N 2 1 308.466 1.460 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@@H]1O ZINC000342117297 529822802 /nfs/dbraw/zinc/82/28/02/529822802.db2.gz ASKMUQWZBQSYOK-TVFCKZIOSA-N 2 1 308.466 1.460 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@@H]1O ZINC000342117297 529822803 /nfs/dbraw/zinc/82/28/03/529822803.db2.gz ASKMUQWZBQSYOK-TVFCKZIOSA-N 2 1 308.466 1.460 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@H]([NH3+])CCCC#N)Cc1ccccc1 ZINC000424144315 529891253 /nfs/dbraw/zinc/89/12/53/529891253.db2.gz XEHVLKCUBBEVRL-MRXNPFEDSA-N 2 1 302.422 1.646 20 30 DDEDMP C[NH+]1CCN(C(=O)C2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000348919280 530066673 /nfs/dbraw/zinc/06/66/73/530066673.db2.gz FHBUEQQAVIIHBR-UHFFFAOYSA-N 2 1 320.481 1.802 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602875966 359260242 /nfs/dbraw/zinc/26/02/42/359260242.db2.gz CMQTYQFDXQBHNQ-NVXWUHKLSA-N 2 1 320.481 1.847 20 30 DDEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NC1(C#N)CCC1 ZINC000603111519 359409503 /nfs/dbraw/zinc/40/95/03/359409503.db2.gz RGADDYWNFAFIBD-UHFFFAOYSA-N 2 1 306.454 1.747 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354675553 223447612 /nfs/dbraw/zinc/44/76/12/223447612.db2.gz QVPWPZIDLULODV-INIZCTEOSA-N 2 1 308.470 1.945 20 30 DDEDMP C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000424142925 533244804 /nfs/dbraw/zinc/24/48/04/533244804.db2.gz IZWHTDYQVIMCEQ-CABCVRRESA-N 2 1 322.453 1.157 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000125169056 407380966 /nfs/dbraw/zinc/38/09/66/407380966.db2.gz ZEGHZSALBMDYQQ-GOEBONIOSA-N 2 1 320.481 1.951 20 30 DDEDMP CCCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272985767 408022014 /nfs/dbraw/zinc/02/20/14/408022014.db2.gz RZCJCGJTQNVWPA-INIZCTEOSA-N 2 1 304.438 1.458 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156518715 408261597 /nfs/dbraw/zinc/26/15/97/408261597.db2.gz KEJHWUIERQGXDY-ZOBUZTSGSA-N 2 1 317.437 1.820 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183139546 408335191 /nfs/dbraw/zinc/33/51/91/408335191.db2.gz DMMJXWXSUITOEH-ZIAGYGMSSA-N 2 1 310.401 1.969 20 30 DDEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000191337976 408407879 /nfs/dbraw/zinc/40/78/79/408407879.db2.gz YLPZQNYDDADKNA-CQSZACIVSA-N 2 1 304.438 1.421 20 30 DDEDMP CN(C(=O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C1(C#N)CCCCC1 ZINC000193629283 408735082 /nfs/dbraw/zinc/73/50/82/408735082.db2.gz HYPMQXZZFRGOIU-GASCZTMLSA-N 2 1 304.438 1.165 20 30 DDEDMP C(#CC[N@@H+]1CC[C@@H](n2cccn2)C1)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000292001039 408961133 /nfs/dbraw/zinc/96/11/33/408961133.db2.gz XIJUFJARIQXDCE-QZTJIDSGSA-N 2 1 324.432 1.277 20 30 DDEDMP C(#CC[N@H+]1CC[C@@H](n2cccn2)C1)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000292001039 408961134 /nfs/dbraw/zinc/96/11/34/408961134.db2.gz XIJUFJARIQXDCE-QZTJIDSGSA-N 2 1 324.432 1.277 20 30 DDEDMP Cc1ccc(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)cc1C ZINC000288709438 409173390 /nfs/dbraw/zinc/17/33/90/409173390.db2.gz KTVIFMJQWNQWMI-UHFFFAOYSA-N 2 1 305.470 1.914 20 30 DDEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CCn2ccnc2C1 ZINC000330188823 410578720 /nfs/dbraw/zinc/57/87/20/410578720.db2.gz LKSKELVJAAQHJP-MGPQQGTHSA-N 2 1 303.410 1.328 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCn4ccnc4C3)CC[C@H]21 ZINC000330308616 410623978 /nfs/dbraw/zinc/62/39/78/410623978.db2.gz SXSFVSYDCMALAK-RBSFLKMASA-N 2 1 317.437 1.528 20 30 DDEDMP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC[C@H]21 ZINC000330308616 410623992 /nfs/dbraw/zinc/62/39/92/410623992.db2.gz SXSFVSYDCMALAK-RBSFLKMASA-N 2 1 317.437 1.528 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC[C@H]21 ZINC000330308616 410623996 /nfs/dbraw/zinc/62/39/96/410623996.db2.gz SXSFVSYDCMALAK-RBSFLKMASA-N 2 1 317.437 1.528 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374076149 418486801 /nfs/dbraw/zinc/48/68/01/418486801.db2.gz ZSJIICDTBGUNMJ-CQSZACIVSA-N 2 1 322.453 1.195 20 30 DDEDMP C[NH+]=C(NCc1c(C)noc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261947075 222263815 /nfs/dbraw/zinc/26/38/15/222263815.db2.gz GGVLFHSJQGQTPK-ZUZCIYMTSA-N 2 1 305.426 1.439 20 30 DDEDMP CC[NH+](CC)[C@H](CNC1=[NH+]CCN1C)c1cccc(OC)c1 ZINC000262475887 222283199 /nfs/dbraw/zinc/28/31/99/222283199.db2.gz BYZDOAOTYWXCHQ-MRXNPFEDSA-N 2 1 304.438 1.969 20 30 DDEDMP COc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+]2CCCC2)cc1 ZINC000262681943 222289904 /nfs/dbraw/zinc/28/99/04/222289904.db2.gz WOSAYSMFWOSSRO-MRXNPFEDSA-N 2 1 302.422 1.723 20 30 DDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1ccc[nH]1 ZINC000262818439 222296673 /nfs/dbraw/zinc/29/66/73/222296673.db2.gz WGRAQQDOUOIKLY-HNNXBMFYSA-N 2 1 309.483 1.459 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000267436248 222386110 /nfs/dbraw/zinc/38/61/10/222386110.db2.gz NXTDYFJJEIPRDT-IAGOWNOFSA-N 2 1 316.449 1.244 20 30 DDEDMP CCNC(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)=[NH+]CC ZINC000362752649 418759471 /nfs/dbraw/zinc/75/94/71/418759471.db2.gz IDWLYOXAOHFUPB-INIZCTEOSA-N 2 1 303.454 1.869 20 30 DDEDMP C(#CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000568862713 421623034 /nfs/dbraw/zinc/62/30/34/421623034.db2.gz UJOCXRFMSUOWNN-BDXSIMOUSA-N 2 1 304.434 1.211 20 30 DDEDMP C=CC[C@]1(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662671322 424729900 /nfs/dbraw/zinc/72/99/00/424729900.db2.gz NEFLGMJEWNNYEH-RVKKMQEKSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CC[C@]1(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662671322 424729901 /nfs/dbraw/zinc/72/99/01/424729901.db2.gz NEFLGMJEWNNYEH-RVKKMQEKSA-N 2 1 323.481 1.689 20 30 DDEDMP CNC(NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1)=[NH+]C ZINC000264135417 277220903 /nfs/dbraw/zinc/22/09/03/277220903.db2.gz ZMXOTVDNAMUNFS-MRXNPFEDSA-N 2 1 303.454 1.160 20 30 DDEDMP CNC(NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)=[NH+]C ZINC000264135417 277220904 /nfs/dbraw/zinc/22/09/04/277220904.db2.gz ZMXOTVDNAMUNFS-MRXNPFEDSA-N 2 1 303.454 1.160 20 30 DDEDMP CNC(NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)=[NH+]C ZINC000264135417 277220905 /nfs/dbraw/zinc/22/09/05/277220905.db2.gz ZMXOTVDNAMUNFS-MRXNPFEDSA-N 2 1 303.454 1.160 20 30 DDEDMP C[C@H]1C[N@@H+](CCCSCC#N)CCN1C1CC[NH+](C)CC1 ZINC000378372603 300256464 /nfs/dbraw/zinc/25/64/64/300256464.db2.gz WGBAWWCQWFZHHW-HNNXBMFYSA-N 2 1 310.511 1.734 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)CC1 ZINC000458334067 526427097 /nfs/dbraw/zinc/42/70/97/526427097.db2.gz MKPDBVJTRSBUFL-INIZCTEOSA-N 2 1 308.470 1.763 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000337198285 526482328 /nfs/dbraw/zinc/48/23/28/526482328.db2.gz YBJTYHDYHXCSKT-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000337198283 526512169 /nfs/dbraw/zinc/51/21/69/526512169.db2.gz YBJTYHDYHXCSKT-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001120834951 782172283 /nfs/dbraw/zinc/17/22/83/782172283.db2.gz REXCJELFZWYOGR-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972465073 695257571 /nfs/dbraw/zinc/25/75/71/695257571.db2.gz GNQOSMUUDUYDHS-KRWDZBQOSA-N 2 1 318.421 1.071 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972465073 695257572 /nfs/dbraw/zinc/25/75/72/695257572.db2.gz GNQOSMUUDUYDHS-KRWDZBQOSA-N 2 1 318.421 1.071 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537835 695276055 /nfs/dbraw/zinc/27/60/55/695276055.db2.gz KWCKTYMGAYRHKV-AEFFLSMTSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974674696 695709715 /nfs/dbraw/zinc/70/97/15/695709715.db2.gz ROZYNZVYALSMRQ-HUUCEWRRSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974674696 695709716 /nfs/dbraw/zinc/70/97/16/695709716.db2.gz ROZYNZVYALSMRQ-HUUCEWRRSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974946311 695764294 /nfs/dbraw/zinc/76/42/94/695764294.db2.gz MEYSYWLIZQVXIA-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946311 695764296 /nfs/dbraw/zinc/76/42/96/695764296.db2.gz MEYSYWLIZQVXIA-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946311 695764298 /nfs/dbraw/zinc/76/42/98/695764298.db2.gz MEYSYWLIZQVXIA-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974973897 695771125 /nfs/dbraw/zinc/77/11/25/695771125.db2.gz QOXQHDZBHFZMBZ-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974973897 695771126 /nfs/dbraw/zinc/77/11/26/695771126.db2.gz QOXQHDZBHFZMBZ-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974973897 695771127 /nfs/dbraw/zinc/77/11/27/695771127.db2.gz QOXQHDZBHFZMBZ-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975040063 695782537 /nfs/dbraw/zinc/78/25/37/695782537.db2.gz PBWUNFVJHVECSA-GDBMZVCRSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C(C)(C)C1 ZINC000975040063 695782540 /nfs/dbraw/zinc/78/25/40/695782540.db2.gz PBWUNFVJHVECSA-GDBMZVCRSA-N 2 1 316.449 1.767 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978252402 696351307 /nfs/dbraw/zinc/35/13/07/696351307.db2.gz TXMJLIZFWPXDBD-XLAORIBOSA-N 2 1 317.477 1.282 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978252402 696351309 /nfs/dbraw/zinc/35/13/09/696351309.db2.gz TXMJLIZFWPXDBD-XLAORIBOSA-N 2 1 317.477 1.282 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978252402 696351311 /nfs/dbraw/zinc/35/13/11/696351311.db2.gz TXMJLIZFWPXDBD-XLAORIBOSA-N 2 1 317.477 1.282 20 30 DDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083096612 696550448 /nfs/dbraw/zinc/55/04/48/696550448.db2.gz HTEHLXITAQPYDZ-CYBMUJFWSA-N 2 1 316.405 1.317 20 30 DDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083096612 696550449 /nfs/dbraw/zinc/55/04/49/696550449.db2.gz HTEHLXITAQPYDZ-CYBMUJFWSA-N 2 1 316.405 1.317 20 30 DDEDMP C[NH+]=C(NCc1ccc(C[NH+]2CCOCC2)cc1)NC1CC1 ZINC000103337647 696613778 /nfs/dbraw/zinc/61/37/78/696613778.db2.gz BWFHIUMDXOYEIO-UHFFFAOYSA-N 2 1 302.422 1.346 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC000980477990 696782990 /nfs/dbraw/zinc/78/29/90/696782990.db2.gz LRBYWMCPCBKAGB-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848353 696941047 /nfs/dbraw/zinc/94/10/47/696941047.db2.gz LBMOSRKVNWSDMS-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981848353 696941051 /nfs/dbraw/zinc/94/10/51/696941051.db2.gz LBMOSRKVNWSDMS-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000981848353 696941054 /nfs/dbraw/zinc/94/10/54/696941054.db2.gz LBMOSRKVNWSDMS-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982054446 697016374 /nfs/dbraw/zinc/01/63/74/697016374.db2.gz FELMHVPTUZBGGX-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982160689 697045698 /nfs/dbraw/zinc/04/56/98/697045698.db2.gz BLMRLLZBWKPTET-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982160689 697045700 /nfs/dbraw/zinc/04/57/00/697045700.db2.gz BLMRLLZBWKPTET-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982160689 697045701 /nfs/dbraw/zinc/04/57/01/697045701.db2.gz BLMRLLZBWKPTET-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@]2(C)C1 ZINC000982276286 697081707 /nfs/dbraw/zinc/08/17/07/697081707.db2.gz QQDUYMHGDNANTQ-YTQUADARSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276286 697081708 /nfs/dbraw/zinc/08/17/08/697081708.db2.gz QQDUYMHGDNANTQ-YTQUADARSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC000982276286 697081710 /nfs/dbraw/zinc/08/17/10/697081710.db2.gz QQDUYMHGDNANTQ-YTQUADARSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297888 697086938 /nfs/dbraw/zinc/08/69/38/697086938.db2.gz RMRUTUYMLWVGLI-HDICACEKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297888 697086939 /nfs/dbraw/zinc/08/69/39/697086939.db2.gz RMRUTUYMLWVGLI-HDICACEKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982297888 697086941 /nfs/dbraw/zinc/08/69/41/697086941.db2.gz RMRUTUYMLWVGLI-HDICACEKSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1 ZINC000983900774 697312920 /nfs/dbraw/zinc/31/29/20/697312920.db2.gz KCOKCLPZGIDXGL-BZSNNMDCSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1 ZINC000983900774 697312922 /nfs/dbraw/zinc/31/29/22/697312922.db2.gz KCOKCLPZGIDXGL-BZSNNMDCSA-N 2 1 317.477 1.759 20 30 DDEDMP C=C(Br)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178648085 697426807 /nfs/dbraw/zinc/42/68/07/697426807.db2.gz MJPIFNITHNIEDE-UHFFFAOYSA-N 2 1 318.259 1.285 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989452270 698627564 /nfs/dbraw/zinc/62/75/64/698627564.db2.gz XSNIQQRFYMPJRT-UONOGXRCSA-N 2 1 318.421 1.649 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483346 698639568 /nfs/dbraw/zinc/63/95/68/698639568.db2.gz SUMKINCVUBMYRK-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000989483346 698639572 /nfs/dbraw/zinc/63/95/72/698639572.db2.gz SUMKINCVUBMYRK-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991862021 699426280 /nfs/dbraw/zinc/42/62/80/699426280.db2.gz OFQYGQKGBCVVEZ-NVXWUHKLSA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991862021 699426282 /nfs/dbraw/zinc/42/62/82/699426282.db2.gz OFQYGQKGBCVVEZ-NVXWUHKLSA-N 2 1 302.422 1.881 20 30 DDEDMP C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NN1CC[NH+](C)CC1 ZINC000734361632 699648478 /nfs/dbraw/zinc/64/84/78/699648478.db2.gz GQFYXEYGYOYXBT-HNNXBMFYSA-N 2 1 301.438 1.527 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NN1CC[NH+](C)CC1 ZINC000734361632 699648481 /nfs/dbraw/zinc/64/84/81/699648481.db2.gz GQFYXEYGYOYXBT-HNNXBMFYSA-N 2 1 301.438 1.527 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000867959144 701854485 /nfs/dbraw/zinc/85/44/85/701854485.db2.gz PNWDWZDHAAFGFW-NUJGCVRESA-N 2 1 324.428 1.488 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868653625 702248410 /nfs/dbraw/zinc/24/84/10/702248410.db2.gz YQIWXFDLVCITKW-UHFFFAOYSA-N 2 1 308.470 1.504 20 30 DDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000819264660 704097056 /nfs/dbraw/zinc/09/70/56/704097056.db2.gz AOFYOIOSMRUXFG-QAPCUYQASA-N 2 1 317.433 1.682 20 30 DDEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862184 704152179 /nfs/dbraw/zinc/15/21/79/704152179.db2.gz VQWWVVMYRITVRI-XHSDSOJGSA-N 2 1 305.466 1.472 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000876707804 705829601 /nfs/dbraw/zinc/82/96/01/705829601.db2.gz ASHKIMUGCDQBKK-VIFPVBQESA-N 2 1 314.842 1.930 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000876707804 705829604 /nfs/dbraw/zinc/82/96/04/705829604.db2.gz ASHKIMUGCDQBKK-VIFPVBQESA-N 2 1 314.842 1.930 20 30 DDEDMP C#CC1(F)CN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)C1 ZINC000881940072 707434687 /nfs/dbraw/zinc/43/46/87/707434687.db2.gz TVLVBJOYWHNEJR-UHFFFAOYSA-N 2 1 321.440 1.366 20 30 DDEDMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1Cc2ccccc2O1 ZINC000883216809 707955920 /nfs/dbraw/zinc/95/59/20/707955920.db2.gz WVJYQVYDVVEOHX-QXAKKESOSA-N 2 1 316.445 1.981 20 30 DDEDMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1Cc2ccccc2O1 ZINC000883216809 707955922 /nfs/dbraw/zinc/95/59/22/707955922.db2.gz WVJYQVYDVVEOHX-QXAKKESOSA-N 2 1 316.445 1.981 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000884153945 708162993 /nfs/dbraw/zinc/16/29/93/708162993.db2.gz VWOBBRMXWXNUOE-CVEARBPZSA-N 2 1 322.497 1.750 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000884153945 708162995 /nfs/dbraw/zinc/16/29/95/708162995.db2.gz VWOBBRMXWXNUOE-CVEARBPZSA-N 2 1 322.497 1.750 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000890370524 709841671 /nfs/dbraw/zinc/84/16/71/709841671.db2.gz AKIPEZCWSAMKEC-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000890370524 709841674 /nfs/dbraw/zinc/84/16/74/709841674.db2.gz AKIPEZCWSAMKEC-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000890370524 709841677 /nfs/dbraw/zinc/84/16/77/709841677.db2.gz AKIPEZCWSAMKEC-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000890370524 709841680 /nfs/dbraw/zinc/84/16/80/709841680.db2.gz AKIPEZCWSAMKEC-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)CC1 ZINC000913290294 713192770 /nfs/dbraw/zinc/19/27/70/713192770.db2.gz OOORFVZVZCJECN-HDICACEKSA-N 2 1 303.450 1.132 20 30 DDEDMP Cc1cc(NC[C@@H]2CC[N@@H+]2C)c(C#N)c(NC[C@H]2CC[NH+]2C)n1 ZINC000895769944 711601236 /nfs/dbraw/zinc/60/12/36/711601236.db2.gz WNOMWGKSCYMXQP-UONOGXRCSA-N 2 1 314.437 1.494 20 30 DDEDMP Cc1cc(NC[C@@H]2CC[NH+]2C)c(C#N)c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895769944 711601241 /nfs/dbraw/zinc/60/12/41/711601241.db2.gz WNOMWGKSCYMXQP-UONOGXRCSA-N 2 1 314.437 1.494 20 30 DDEDMP Cc1cc(NC[C@@H]2CC[NH+]2C)c(C#N)c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895769944 711601242 /nfs/dbraw/zinc/60/12/42/711601242.db2.gz WNOMWGKSCYMXQP-UONOGXRCSA-N 2 1 314.437 1.494 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000921427181 713767202 /nfs/dbraw/zinc/76/72/02/713767202.db2.gz ZMZYOQSBOFDAHD-MRXNPFEDSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000932388474 714321630 /nfs/dbraw/zinc/32/16/30/714321630.db2.gz LIRASMVXWCRFMP-KRWDZBQOSA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000932388474 714321631 /nfs/dbraw/zinc/32/16/31/714321631.db2.gz LIRASMVXWCRFMP-KRWDZBQOSA-N 2 1 301.434 1.749 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000923372813 714332162 /nfs/dbraw/zinc/33/21/62/714332162.db2.gz JXQTUMOHVXCVLU-DLBZAZTESA-N 2 1 317.433 1.795 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000923414792 714348585 /nfs/dbraw/zinc/34/85/85/714348585.db2.gz PBOAQPUAUBHNIS-JZXOWHBKSA-N 2 1 315.417 1.372 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000923563630 714406193 /nfs/dbraw/zinc/40/61/93/714406193.db2.gz IMLYCDTYUTVYNH-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000923563630 714406194 /nfs/dbraw/zinc/40/61/94/714406194.db2.gz IMLYCDTYUTVYNH-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000923563630 714406195 /nfs/dbraw/zinc/40/61/95/714406195.db2.gz IMLYCDTYUTVYNH-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000923563630 714406196 /nfs/dbraw/zinc/40/61/96/714406196.db2.gz IMLYCDTYUTVYNH-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)C2C[NH+](CC[C@H](C)F)C2)CC1 ZINC000957422323 715896118 /nfs/dbraw/zinc/89/61/18/715896118.db2.gz TZBMEGWFPLTAHG-HNNXBMFYSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940807173 716969378 /nfs/dbraw/zinc/96/93/78/716969378.db2.gz JBUOQLICKPDRSE-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940807173 716969381 /nfs/dbraw/zinc/96/93/81/716969381.db2.gz JBUOQLICKPDRSE-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC1(C)C ZINC000940807173 716969383 /nfs/dbraw/zinc/96/93/83/716969383.db2.gz JBUOQLICKPDRSE-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)CC1(C)C ZINC000940807173 716969387 /nfs/dbraw/zinc/96/93/87/716969387.db2.gz JBUOQLICKPDRSE-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831346 716980354 /nfs/dbraw/zinc/98/03/54/716980354.db2.gz KUEVPVATPKQHIC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831346 716980357 /nfs/dbraw/zinc/98/03/57/716980357.db2.gz KUEVPVATPKQHIC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831346 716980359 /nfs/dbraw/zinc/98/03/59/716980359.db2.gz KUEVPVATPKQHIC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831346 716980360 /nfs/dbraw/zinc/98/03/60/716980360.db2.gz KUEVPVATPKQHIC-BZUAXINKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000940892289 717012281 /nfs/dbraw/zinc/01/22/81/717012281.db2.gz BOTRMIXPMMOFNW-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892289 717012287 /nfs/dbraw/zinc/01/22/87/717012287.db2.gz BOTRMIXPMMOFNW-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892289 717012292 /nfs/dbraw/zinc/01/22/92/717012292.db2.gz BOTRMIXPMMOFNW-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961609612 717027889 /nfs/dbraw/zinc/02/78/89/717027889.db2.gz SKTOGIMPSKOIKH-SIXLDLHFSA-N 2 1 314.433 1.376 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961609612 717027891 /nfs/dbraw/zinc/02/78/91/717027891.db2.gz SKTOGIMPSKOIKH-SIXLDLHFSA-N 2 1 314.433 1.376 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000961942695 717256740 /nfs/dbraw/zinc/25/67/40/717256740.db2.gz DFNIUNZSHWKUPL-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961942695 717256747 /nfs/dbraw/zinc/25/67/47/717256747.db2.gz DFNIUNZSHWKUPL-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961942695 717256753 /nfs/dbraw/zinc/25/67/53/717256753.db2.gz DFNIUNZSHWKUPL-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000964645096 717346578 /nfs/dbraw/zinc/34/65/78/717346578.db2.gz VGMDNYFTVZYLPU-FIXVGMIGSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942208794 717549264 /nfs/dbraw/zinc/54/92/64/717549264.db2.gz RTQGDONXGQGZFW-ZFWWWQNUSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942208794 717549268 /nfs/dbraw/zinc/54/92/68/717549268.db2.gz RTQGDONXGQGZFW-ZFWWWQNUSA-N 2 1 318.421 1.200 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942209095 717550207 /nfs/dbraw/zinc/55/02/07/717550207.db2.gz UBDBMFOLRZOUTP-ZFWWWQNUSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942209095 717550211 /nfs/dbraw/zinc/55/02/11/717550211.db2.gz UBDBMFOLRZOUTP-ZFWWWQNUSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000962768219 717580423 /nfs/dbraw/zinc/58/04/23/717580423.db2.gz XDCGIWVBPUMNSV-BARDWOONSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000962768219 717580428 /nfs/dbraw/zinc/58/04/28/717580428.db2.gz XDCGIWVBPUMNSV-BARDWOONSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962768219 717580434 /nfs/dbraw/zinc/58/04/34/717580434.db2.gz XDCGIWVBPUMNSV-BARDWOONSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962768219 717580437 /nfs/dbraw/zinc/58/04/37/717580437.db2.gz XDCGIWVBPUMNSV-BARDWOONSA-N 2 1 311.857 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]C(C)C)CC1 ZINC000963471720 717802288 /nfs/dbraw/zinc/80/22/88/717802288.db2.gz NUHCEVGRWSKMEK-JCYILVPMSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]C(C)C)CC1 ZINC000963471720 717802290 /nfs/dbraw/zinc/80/22/90/717802290.db2.gz NUHCEVGRWSKMEK-JCYILVPMSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCF)C[C@@H]2C)CC1 ZINC000945176985 718414695 /nfs/dbraw/zinc/41/46/95/718414695.db2.gz AFQDDUKCXMZGDW-RDJZCZTQSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710005 718887089 /nfs/dbraw/zinc/88/70/89/718887089.db2.gz FRICFOIUXLJAJC-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000947310246 719113044 /nfs/dbraw/zinc/11/30/44/719113044.db2.gz OADPCRNOPCYPRL-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCCC)CC[C@H]2C)CC1 ZINC000968680758 719733151 /nfs/dbraw/zinc/73/31/51/719733151.db2.gz DFMVKULNISPAON-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#CC)CC[C@H]2C)CC1 ZINC000968681210 719733733 /nfs/dbraw/zinc/73/37/33/719733733.db2.gz HUUHQDXHZGKQAA-SJLPKXTDSA-N 2 1 315.461 1.182 20 30 DDEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970712283 720902937 /nfs/dbraw/zinc/90/29/37/720902937.db2.gz LVEKKIIQFCDBPU-NWDGAFQWSA-N 2 1 316.243 1.037 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000971538572 721347352 /nfs/dbraw/zinc/34/73/52/721347352.db2.gz FBTRILVESAXFME-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000971538572 721347355 /nfs/dbraw/zinc/34/73/55/721347355.db2.gz FBTRILVESAXFME-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000971538572 721347356 /nfs/dbraw/zinc/34/73/56/721347356.db2.gz FBTRILVESAXFME-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588221 735326951 /nfs/dbraw/zinc/32/69/51/735326951.db2.gz TXGVFFKMQFFTCP-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588221 735326954 /nfs/dbraw/zinc/32/69/54/735326954.db2.gz TXGVFFKMQFFTCP-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696629 738556103 /nfs/dbraw/zinc/55/61/03/738556103.db2.gz PUVWNZMAZNCTFM-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001027696629 738556107 /nfs/dbraw/zinc/55/61/07/738556107.db2.gz PUVWNZMAZNCTFM-QZTJIDSGSA-N 2 1 313.445 1.845 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529580 738650548 /nfs/dbraw/zinc/65/05/48/738650548.db2.gz GSWXOYJXLIFOGL-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236256 732851806 /nfs/dbraw/zinc/85/18/06/732851806.db2.gz ISVCSCZRVHJVQK-OCCSQVGLSA-N 2 1 313.873 1.813 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039180717 733118061 /nfs/dbraw/zinc/11/80/61/733118061.db2.gz VKMNKSYOAPUJQA-QGZVFWFLSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001021470286 733224161 /nfs/dbraw/zinc/22/41/61/733224161.db2.gz YVXMRNZMWXUYAZ-AYHJJNSGSA-N 2 1 313.445 1.076 20 30 DDEDMP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021604074 733362089 /nfs/dbraw/zinc/36/20/89/733362089.db2.gz ASNXGVPJOQOKMH-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604074 733362090 /nfs/dbraw/zinc/36/20/90/733362090.db2.gz ASNXGVPJOQOKMH-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021604074 733362094 /nfs/dbraw/zinc/36/20/94/733362094.db2.gz ASNXGVPJOQOKMH-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104306076 733420581 /nfs/dbraw/zinc/42/05/81/733420581.db2.gz JJEBMBWFAWNMCM-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(C)C)C1 ZINC001104306076 733420583 /nfs/dbraw/zinc/42/05/83/733420583.db2.gz JJEBMBWFAWNMCM-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700044 733462492 /nfs/dbraw/zinc/46/24/92/733462492.db2.gz MQINZVAFFHOJAB-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167437516 733500908 /nfs/dbraw/zinc/50/09/08/733500908.db2.gz ATRLEGHLJROOFK-CVEARBPZSA-N 2 1 303.450 1.513 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378370 734917009 /nfs/dbraw/zinc/91/70/09/734917009.db2.gz NXDNRWZBOWBBOW-HZPDHXFCSA-N 2 1 313.486 1.724 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001023451941 735247061 /nfs/dbraw/zinc/24/70/61/735247061.db2.gz ORNQAUCWDNVIDU-CABCVRRESA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001024617611 735985243 /nfs/dbraw/zinc/98/52/43/735985243.db2.gz KOJQJUSRRWNXKX-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024617611 735985245 /nfs/dbraw/zinc/98/52/45/735985245.db2.gz KOJQJUSRRWNXKX-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024617611 735985246 /nfs/dbraw/zinc/98/52/46/735985246.db2.gz KOJQJUSRRWNXKX-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470286 736707842 /nfs/dbraw/zinc/70/78/42/736707842.db2.gz VSPJFHQSIAMXFA-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001008750670 738009760 /nfs/dbraw/zinc/00/97/60/738009760.db2.gz XKRAKOWTLZRLNP-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444083 738298107 /nfs/dbraw/zinc/29/81/07/738298107.db2.gz QFRVPNQQOSAOIB-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444083 738298108 /nfs/dbraw/zinc/29/81/08/738298108.db2.gz QFRVPNQQOSAOIB-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137345 739078840 /nfs/dbraw/zinc/07/88/40/739078840.db2.gz GWWYWTPLSIBFIU-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028137345 739078843 /nfs/dbraw/zinc/07/88/43/739078843.db2.gz GWWYWTPLSIBFIU-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001035389946 751460434 /nfs/dbraw/zinc/46/04/34/751460434.db2.gz SPWFKVVZMRALNE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389946 751460436 /nfs/dbraw/zinc/46/04/36/751460436.db2.gz SPWFKVVZMRALNE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001035389946 751460439 /nfs/dbraw/zinc/46/04/39/751460439.db2.gz SPWFKVVZMRALNE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001028551249 739647956 /nfs/dbraw/zinc/64/79/56/739647956.db2.gz KMJRUUMBGNSEQA-SOUVJXGZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001028551249 739647958 /nfs/dbraw/zinc/64/79/58/739647958.db2.gz KMJRUUMBGNSEQA-SOUVJXGZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028551249 739647961 /nfs/dbraw/zinc/64/79/61/739647961.db2.gz KMJRUUMBGNSEQA-SOUVJXGZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001028551249 739647964 /nfs/dbraw/zinc/64/79/64/739647964.db2.gz KMJRUUMBGNSEQA-SOUVJXGZSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000853 740245300 /nfs/dbraw/zinc/24/53/00/740245300.db2.gz KWRORVLAYRDOGT-KRWDZBQOSA-N 2 1 313.445 1.823 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001029004717 740249316 /nfs/dbraw/zinc/24/93/16/740249316.db2.gz GLVKAUAOQJIRJX-HNNXBMFYSA-N 2 1 301.434 1.986 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622317 740680887 /nfs/dbraw/zinc/68/08/87/740680887.db2.gz FOIHAWHYWRIGCL-QKPAOTATSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622317 740680886 /nfs/dbraw/zinc/68/08/86/740680886.db2.gz FOIHAWHYWRIGCL-QKPAOTATSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622317 740680888 /nfs/dbraw/zinc/68/08/88/740680888.db2.gz FOIHAWHYWRIGCL-QKPAOTATSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1CC ZINC001087622317 740680889 /nfs/dbraw/zinc/68/08/89/740680889.db2.gz FOIHAWHYWRIGCL-QKPAOTATSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106315 741032563 /nfs/dbraw/zinc/03/25/63/741032563.db2.gz VMHFONKXDUOOAL-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106315 741032567 /nfs/dbraw/zinc/03/25/67/741032567.db2.gz VMHFONKXDUOOAL-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106315 741032570 /nfs/dbraw/zinc/03/25/70/741032570.db2.gz VMHFONKXDUOOAL-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nccn3C2)[C@H]1C ZINC001088678263 742070513 /nfs/dbraw/zinc/07/05/13/742070513.db2.gz MVAHJMFOWDMMSY-ILXRZTDVSA-N 2 1 302.422 1.601 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821871 742460051 /nfs/dbraw/zinc/46/00/51/742460051.db2.gz QYYPGFCZGIBLCF-UNEWFSDZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088821871 742460052 /nfs/dbraw/zinc/46/00/52/742460052.db2.gz QYYPGFCZGIBLCF-UNEWFSDZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002137473 742889549 /nfs/dbraw/zinc/88/95/49/742889549.db2.gz ASWCDDWSSLMNIQ-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002137473 742889556 /nfs/dbraw/zinc/88/95/56/742889556.db2.gz ASWCDDWSSLMNIQ-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001002156063 742901601 /nfs/dbraw/zinc/90/16/01/742901601.db2.gz GAGVHNSCYJAOBC-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035717365 751804548 /nfs/dbraw/zinc/80/45/48/751804548.db2.gz JAHAGRHKXAIXFR-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001181652133 743287222 /nfs/dbraw/zinc/28/72/22/743287222.db2.gz JSMNIVYVMZQNED-QZTJIDSGSA-N 2 1 311.429 1.323 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001182718145 743696228 /nfs/dbraw/zinc/69/62/28/743696228.db2.gz CGJGYLKWASSFIN-CZUORRHYSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001182718145 743696231 /nfs/dbraw/zinc/69/62/31/743696231.db2.gz CGJGYLKWASSFIN-CZUORRHYSA-N 2 1 315.421 1.004 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1CCC[C@@H]1C)CC2 ZINC001035797252 751885392 /nfs/dbraw/zinc/88/53/92/751885392.db2.gz GUONPUWGMBZQMY-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035772474 751888176 /nfs/dbraw/zinc/88/81/76/751888176.db2.gz CMRSGPRMGLJTEQ-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185679267 744274123 /nfs/dbraw/zinc/27/41/23/744274123.db2.gz BCPDJCOKYLFAQK-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CC12CCOCC2 ZINC001186552558 744420256 /nfs/dbraw/zinc/42/02/56/744420256.db2.gz HIBCDGGDKJHSFB-INIZCTEOSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000992703478 745127837 /nfs/dbraw/zinc/12/78/37/745127837.db2.gz BDYRPKGQLXJYQR-DJIMGWMZSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC001040747991 745172133 /nfs/dbraw/zinc/17/21/33/745172133.db2.gz XYSVLMWAJHHZTL-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC000992924706 745294567 /nfs/dbraw/zinc/29/45/67/745294567.db2.gz XUWWQTQTBUSBNB-BRWVUGGUSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001190725794 745307890 /nfs/dbraw/zinc/30/78/90/745307890.db2.gz RQXHBZFYQYKBBO-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001190725794 745307895 /nfs/dbraw/zinc/30/78/95/745307895.db2.gz RQXHBZFYQYKBBO-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001190725794 745307901 /nfs/dbraw/zinc/30/79/01/745307901.db2.gz RQXHBZFYQYKBBO-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1 ZINC001190725794 745307906 /nfs/dbraw/zinc/30/79/06/745307906.db2.gz RQXHBZFYQYKBBO-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCC(C)C)C1 ZINC001190725794 745307908 /nfs/dbraw/zinc/30/79/08/745307908.db2.gz RQXHBZFYQYKBBO-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082379 745421016 /nfs/dbraw/zinc/42/10/16/745421016.db2.gz XTSKWVXAQJDCBK-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082379 745421018 /nfs/dbraw/zinc/42/10/18/745421018.db2.gz XTSKWVXAQJDCBK-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082379 745421020 /nfs/dbraw/zinc/42/10/20/745421020.db2.gz XTSKWVXAQJDCBK-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001192918013 745928173 /nfs/dbraw/zinc/92/81/73/745928173.db2.gz VHBHSEVXLNPLJV-IAGOWNOFSA-N 2 1 307.482 1.909 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102079 745978574 /nfs/dbraw/zinc/97/85/74/745978574.db2.gz CROVQMNBSWDVGY-RBSFLKMASA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001193102079 745978575 /nfs/dbraw/zinc/97/85/75/745978575.db2.gz CROVQMNBSWDVGY-RBSFLKMASA-N 2 1 320.437 1.134 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449185 746374461 /nfs/dbraw/zinc/37/44/61/746374461.db2.gz QIIGFLBPQQKZHN-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449185 746374467 /nfs/dbraw/zinc/37/44/67/746374467.db2.gz QIIGFLBPQQKZHN-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449185 746374472 /nfs/dbraw/zinc/37/44/72/746374472.db2.gz QIIGFLBPQQKZHN-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449185 746374474 /nfs/dbraw/zinc/37/44/74/746374474.db2.gz QIIGFLBPQQKZHN-SFHVURJKSA-N 2 1 313.445 1.674 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2ccnc2)C1 ZINC001195149051 746537600 /nfs/dbraw/zinc/53/76/00/746537600.db2.gz IOMURLMNMMLKHQ-HZPDHXFCSA-N 2 1 320.437 1.181 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001195874379 746727211 /nfs/dbraw/zinc/72/72/11/746727211.db2.gz WLHRARYPUYEVTC-QGZVFWFLSA-N 2 1 321.465 1.065 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203175239 746849068 /nfs/dbraw/zinc/84/90/68/746849068.db2.gz BTBGEXKOZAUXEG-LSDHHAIUSA-N 2 1 300.406 1.232 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001197048266 747036430 /nfs/dbraw/zinc/03/64/30/747036430.db2.gz CCPHYJHPVJMWSJ-MRXNPFEDSA-N 2 1 311.470 1.310 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847411 747193743 /nfs/dbraw/zinc/19/37/43/747193743.db2.gz OATMHWQLGDGABP-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199095320 747700512 /nfs/dbraw/zinc/70/05/12/747700512.db2.gz HDPUAQJPOKHNDN-HZPDHXFCSA-N 2 1 313.486 1.458 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199095320 747700518 /nfs/dbraw/zinc/70/05/18/747700518.db2.gz HDPUAQJPOKHNDN-HZPDHXFCSA-N 2 1 313.486 1.458 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199095320 747700521 /nfs/dbraw/zinc/70/05/21/747700521.db2.gz HDPUAQJPOKHNDN-HZPDHXFCSA-N 2 1 313.486 1.458 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CCCO1 ZINC001200687405 748312970 /nfs/dbraw/zinc/31/29/70/748312970.db2.gz APOANYSWQRLARB-LSDHHAIUSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805995 748351356 /nfs/dbraw/zinc/35/13/56/748351356.db2.gz OQUFKUWGKDRJGF-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001201117852 748413594 /nfs/dbraw/zinc/41/35/94/748413594.db2.gz FOUSIDODEKHFOG-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001004455954 748447376 /nfs/dbraw/zinc/44/73/76/748447376.db2.gz CPZJWNCBEXYEGO-QZTJIDSGSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001004472641 748463064 /nfs/dbraw/zinc/46/30/64/748463064.db2.gz GXCDBVKIMRACEQ-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472641 748463065 /nfs/dbraw/zinc/46/30/65/748463065.db2.gz GXCDBVKIMRACEQ-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472641 748463068 /nfs/dbraw/zinc/46/30/68/748463068.db2.gz GXCDBVKIMRACEQ-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP N#Cc1cccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130070 748718908 /nfs/dbraw/zinc/71/89/08/748718908.db2.gz FMEJXEJCXACDCP-UHFFFAOYSA-N 2 1 324.428 1.202 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995915694 749297080 /nfs/dbraw/zinc/29/70/80/749297080.db2.gz GHVOATXIRKNYTF-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000996679140 749901191 /nfs/dbraw/zinc/90/11/91/749901191.db2.gz PZZHAAUYVOIULA-HNNXBMFYSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855161 749992423 /nfs/dbraw/zinc/99/24/23/749992423.db2.gz HRDKQUNJUYBPTJ-HZPDHXFCSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033855161 749992425 /nfs/dbraw/zinc/99/24/25/749992425.db2.gz HRDKQUNJUYBPTJ-HZPDHXFCSA-N 2 1 314.433 1.707 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399556 761998978 /nfs/dbraw/zinc/99/89/78/761998978.db2.gz GRUHVLQFILUBDN-CVEARBPZSA-N 2 1 303.450 1.866 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033897246 750082230 /nfs/dbraw/zinc/08/22/30/750082230.db2.gz IRHLYWRSIXVKFZ-QGZVFWFLSA-N 2 1 310.401 1.894 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001039470879 762060368 /nfs/dbraw/zinc/06/03/68/762060368.db2.gz XGWNFULSRMFYIJ-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001039470879 762060379 /nfs/dbraw/zinc/06/03/79/762060379.db2.gz XGWNFULSRMFYIJ-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997334009 750765485 /nfs/dbraw/zinc/76/54/85/750765485.db2.gz AJYYQAYGABSXGG-CQSZACIVSA-N 2 1 315.845 1.040 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997334009 750765490 /nfs/dbraw/zinc/76/54/90/750765490.db2.gz AJYYQAYGABSXGG-CQSZACIVSA-N 2 1 315.845 1.040 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032492930 751050852 /nfs/dbraw/zinc/05/08/52/751050852.db2.gz DTNKLGHKMLXJML-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001032492930 751050860 /nfs/dbraw/zinc/05/08/60/751050860.db2.gz DTNKLGHKMLXJML-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997618810 751161219 /nfs/dbraw/zinc/16/12/19/751161219.db2.gz URVQWPHWXAVBQA-GOEBONIOSA-N 2 1 314.433 1.610 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001032538009 751223405 /nfs/dbraw/zinc/22/34/05/751223405.db2.gz KQVCDJLYRMFYKT-YESZJQIVSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990629 752486446 /nfs/dbraw/zinc/48/64/46/752486446.db2.gz OUAIPZVZUUUYQC-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007990629 752486449 /nfs/dbraw/zinc/48/64/49/752486449.db2.gz OUAIPZVZUUUYQC-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007990629 752486456 /nfs/dbraw/zinc/48/64/56/752486456.db2.gz OUAIPZVZUUUYQC-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](C[C@H](C)CC)CC1 ZINC001000788062 762202012 /nfs/dbraw/zinc/20/20/12/762202012.db2.gz NHYRJEDRPFOOBM-AEFFLSMTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](C[C@H](C)CC)CC1 ZINC001000788062 762202017 /nfs/dbraw/zinc/20/20/17/762202017.db2.gz NHYRJEDRPFOOBM-AEFFLSMTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)CC)CC1 ZINC001000788062 762202023 /nfs/dbraw/zinc/20/20/23/762202023.db2.gz NHYRJEDRPFOOBM-AEFFLSMTSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)CC)CC1 ZINC001000788062 762202027 /nfs/dbraw/zinc/20/20/27/762202027.db2.gz NHYRJEDRPFOOBM-AEFFLSMTSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107999147 753426266 /nfs/dbraw/zinc/42/62/66/753426266.db2.gz YLOOQBBWMKCGKT-FUHWJXTLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001108025301 753584483 /nfs/dbraw/zinc/58/44/83/753584483.db2.gz YYFWXZDVTJRNKD-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001922810 754582059 /nfs/dbraw/zinc/58/20/59/754582059.db2.gz CBVHTLWFMCCNIM-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000903059 762322813 /nfs/dbraw/zinc/32/28/13/762322813.db2.gz HTIJLPUBVWKWOT-UHFFFAOYSA-N 2 1 301.434 1.386 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040110675 762389674 /nfs/dbraw/zinc/38/96/74/762389674.db2.gz WIGRDJVDKMMMQN-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040110675 762389679 /nfs/dbraw/zinc/38/96/79/762389679.db2.gz WIGRDJVDKMMMQN-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040110675 762389681 /nfs/dbraw/zinc/38/96/81/762389681.db2.gz WIGRDJVDKMMMQN-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014436201 755734482 /nfs/dbraw/zinc/73/44/82/755734482.db2.gz PAVQWSGBUPATGB-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014436201 755734484 /nfs/dbraw/zinc/73/44/84/755734484.db2.gz PAVQWSGBUPATGB-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014436201 755734487 /nfs/dbraw/zinc/73/44/87/755734487.db2.gz PAVQWSGBUPATGB-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014436201 755734490 /nfs/dbraw/zinc/73/44/90/755734490.db2.gz PAVQWSGBUPATGB-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711627 755902580 /nfs/dbraw/zinc/90/25/80/755902580.db2.gz OYENVRKUTCJACF-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711627 755902582 /nfs/dbraw/zinc/90/25/82/755902582.db2.gz OYENVRKUTCJACF-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711627 755902584 /nfs/dbraw/zinc/90/25/84/755902584.db2.gz OYENVRKUTCJACF-RDJZCZTQSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015390514 756278497 /nfs/dbraw/zinc/27/84/97/756278497.db2.gz DDKCCWNBGGVDKJ-KRWDZBQOSA-N 2 1 313.445 1.618 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705204 756480349 /nfs/dbraw/zinc/48/03/49/756480349.db2.gz JAYXTKUFVBWGFL-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705204 756480353 /nfs/dbraw/zinc/48/03/53/756480353.db2.gz JAYXTKUFVBWGFL-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799614 756483878 /nfs/dbraw/zinc/48/38/78/756483878.db2.gz WZPSNZPFMSZMNU-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799614 756483882 /nfs/dbraw/zinc/48/38/82/756483882.db2.gz WZPSNZPFMSZMNU-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799614 756483885 /nfs/dbraw/zinc/48/38/85/756483885.db2.gz WZPSNZPFMSZMNU-BRWVUGGUSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001015713647 756489581 /nfs/dbraw/zinc/48/95/81/756489581.db2.gz QGTDERDBYAMAND-AWEZNQCLSA-N 2 1 316.405 1.098 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015713647 756489584 /nfs/dbraw/zinc/48/95/84/756489584.db2.gz QGTDERDBYAMAND-AWEZNQCLSA-N 2 1 316.405 1.098 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001040295103 762480377 /nfs/dbraw/zinc/48/03/77/762480377.db2.gz BMYZTVZVKACXFQ-IBGZPJMESA-N 2 1 322.412 1.896 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001040354487 762504578 /nfs/dbraw/zinc/50/45/78/762504578.db2.gz QLSTXBLLWILVFD-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354487 762504585 /nfs/dbraw/zinc/50/45/85/762504585.db2.gz QLSTXBLLWILVFD-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001040354487 762504591 /nfs/dbraw/zinc/50/45/91/762504591.db2.gz QLSTXBLLWILVFD-LNLFQRSKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001016541217 757145296 /nfs/dbraw/zinc/14/52/96/757145296.db2.gz XMBQWIOSVPDJKT-UONOGXRCSA-N 2 1 311.857 1.804 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651646 757234492 /nfs/dbraw/zinc/23/44/92/757234492.db2.gz JROHWDRZEBAOJX-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001052783837 757764191 /nfs/dbraw/zinc/76/41/91/757764191.db2.gz KAFHELBKYMMAEG-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001017556213 758024421 /nfs/dbraw/zinc/02/44/21/758024421.db2.gz CMTSCUBDBFVYEB-IXDOHACOSA-N 2 1 301.434 1.027 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017572118 758042074 /nfs/dbraw/zinc/04/20/74/758042074.db2.gz UWWLIKMQYMRIQA-VVLHAWIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049659 758180179 /nfs/dbraw/zinc/18/01/79/758180179.db2.gz QRIGYSNPCRIBOG-KSZLIROESA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001053428733 758454985 /nfs/dbraw/zinc/45/49/85/758454985.db2.gz UPTBICFYRQWPMN-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001053428733 758454994 /nfs/dbraw/zinc/45/49/94/758454994.db2.gz UPTBICFYRQWPMN-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CO2 ZINC001053906191 758938916 /nfs/dbraw/zinc/93/89/16/758938916.db2.gz UNYMOWQNNAXCIJ-JYJNAYRXSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CO2 ZINC001053906191 758938920 /nfs/dbraw/zinc/93/89/20/758938920.db2.gz UNYMOWQNNAXCIJ-JYJNAYRXSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001018985242 759479557 /nfs/dbraw/zinc/47/95/57/759479557.db2.gz NLLKOPPXZISJCR-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCC2)C1 ZINC001018985242 759479563 /nfs/dbraw/zinc/47/95/63/759479563.db2.gz NLLKOPPXZISJCR-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085687421 760016836 /nfs/dbraw/zinc/01/68/36/760016836.db2.gz ORDRQDZUHSDUPJ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687421 760016846 /nfs/dbraw/zinc/01/68/46/760016846.db2.gz ORDRQDZUHSDUPJ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687421 760016854 /nfs/dbraw/zinc/01/68/54/760016854.db2.gz ORDRQDZUHSDUPJ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC(C)C)CC1 ZINC001085984492 760663631 /nfs/dbraw/zinc/66/36/31/760663631.db2.gz FKQKRIPSGPWFPR-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000198016 761569933 /nfs/dbraw/zinc/56/99/33/761569933.db2.gz JWMSYFHJRDVJEU-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCCC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001098450584 761785216 /nfs/dbraw/zinc/78/52/16/761785216.db2.gz BSFMAAVWALNLMG-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098450584 761785220 /nfs/dbraw/zinc/78/52/20/761785220.db2.gz BSFMAAVWALNLMG-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098450584 761785224 /nfs/dbraw/zinc/78/52/24/761785224.db2.gz BSFMAAVWALNLMG-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173003 761796832 /nfs/dbraw/zinc/79/68/32/761796832.db2.gz KWENTWZACZFEAL-QGZVFWFLSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173003 761796837 /nfs/dbraw/zinc/79/68/37/761796837.db2.gz KWENTWZACZFEAL-QGZVFWFLSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001040915482 762731800 /nfs/dbraw/zinc/73/18/00/762731800.db2.gz ZWDWSBWAVCQKME-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108793800 762941398 /nfs/dbraw/zinc/94/13/98/762941398.db2.gz FFBDLAWCRHHVEM-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041344727 762970054 /nfs/dbraw/zinc/97/00/54/762970054.db2.gz WVSLSYBYAYPMHD-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041344727 762970059 /nfs/dbraw/zinc/97/00/59/762970059.db2.gz WVSLSYBYAYPMHD-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041344727 762970064 /nfs/dbraw/zinc/97/00/64/762970064.db2.gz WVSLSYBYAYPMHD-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001050121862 763169356 /nfs/dbraw/zinc/16/93/56/763169356.db2.gz GHVPCSIJGFSSIC-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121862 763169360 /nfs/dbraw/zinc/16/93/60/763169360.db2.gz GHVPCSIJGFSSIC-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001050121862 763169363 /nfs/dbraw/zinc/16/93/63/763169363.db2.gz GHVPCSIJGFSSIC-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041626675 763186239 /nfs/dbraw/zinc/18/62/39/763186239.db2.gz WULMHUKRPNGSRC-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001086530271 763201881 /nfs/dbraw/zinc/20/18/81/763201881.db2.gz PIKSWVAEYLZVDW-ULQDDVLXSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001050203922 763317484 /nfs/dbraw/zinc/31/74/84/763317484.db2.gz MGHNGIAMKTZQCP-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832947 763385241 /nfs/dbraw/zinc/38/52/41/763385241.db2.gz IVAPLCCUHFARNQ-INIZCTEOSA-N 2 1 311.857 1.759 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832947 763385250 /nfs/dbraw/zinc/38/52/50/763385250.db2.gz IVAPLCCUHFARNQ-INIZCTEOSA-N 2 1 311.857 1.759 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001042094473 763642796 /nfs/dbraw/zinc/64/27/96/763642796.db2.gz SNTOPLNPYIUNCP-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001109449356 763716131 /nfs/dbraw/zinc/71/61/31/763716131.db2.gz QHLFNDSEUUDDAQ-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001109449356 763716133 /nfs/dbraw/zinc/71/61/33/763716133.db2.gz QHLFNDSEUUDDAQ-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449356 763716139 /nfs/dbraw/zinc/71/61/39/763716139.db2.gz QHLFNDSEUUDDAQ-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001109449356 763716142 /nfs/dbraw/zinc/71/61/42/763716142.db2.gz QHLFNDSEUUDDAQ-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001109463859 763733013 /nfs/dbraw/zinc/73/30/13/763733013.db2.gz AIWLYTRCADWFHP-PMPSAXMXSA-N 2 1 321.465 1.088 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001109463859 763733019 /nfs/dbraw/zinc/73/30/19/763733019.db2.gz AIWLYTRCADWFHP-PMPSAXMXSA-N 2 1 321.465 1.088 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001109463859 763733024 /nfs/dbraw/zinc/73/30/24/763733024.db2.gz AIWLYTRCADWFHP-PMPSAXMXSA-N 2 1 321.465 1.088 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001109463859 763733028 /nfs/dbraw/zinc/73/30/28/763733028.db2.gz AIWLYTRCADWFHP-PMPSAXMXSA-N 2 1 321.465 1.088 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)CC1 ZINC001050631984 763842599 /nfs/dbraw/zinc/84/25/99/763842599.db2.gz BJFXVGIHKFGKLI-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042371110 763975028 /nfs/dbraw/zinc/97/50/28/763975028.db2.gz LNVZSIIHWPKMCP-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977700 764250393 /nfs/dbraw/zinc/25/03/93/764250393.db2.gz VXVTWUNLWQMZSS-YVSFHVDLSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131608689 768212592 /nfs/dbraw/zinc/21/25/92/768212592.db2.gz LDGHLSSKBGEATA-AEFFLSMTSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC[NH+](C)C)C[C@H](C)O2 ZINC001131697300 768279790 /nfs/dbraw/zinc/27/97/90/768279790.db2.gz JAWZPETYYPZRFZ-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425930 765815716 /nfs/dbraw/zinc/81/57/16/765815716.db2.gz HJGSMEWOSFLWLT-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425930 765815722 /nfs/dbraw/zinc/81/57/22/765815722.db2.gz HJGSMEWOSFLWLT-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425930 765815730 /nfs/dbraw/zinc/81/57/30/765815730.db2.gz HJGSMEWOSFLWLT-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045921221 766702958 /nfs/dbraw/zinc/70/29/58/766702958.db2.gz HZSDTRVFCBNEPK-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921221 766702964 /nfs/dbraw/zinc/70/29/64/766702964.db2.gz HZSDTRVFCBNEPK-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045921221 766702974 /nfs/dbraw/zinc/70/29/74/766702974.db2.gz HZSDTRVFCBNEPK-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001045939143 766723624 /nfs/dbraw/zinc/72/36/24/766723624.db2.gz WLFVNMRAEWRCFQ-ZHALLVOQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048590269 769567239 /nfs/dbraw/zinc/56/72/39/769567239.db2.gz TYQPAINIHCJNHK-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048590269 769567248 /nfs/dbraw/zinc/56/72/48/769567248.db2.gz TYQPAINIHCJNHK-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001048590269 769567254 /nfs/dbraw/zinc/56/72/54/769567254.db2.gz TYQPAINIHCJNHK-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735507 769976312 /nfs/dbraw/zinc/97/63/12/769976312.db2.gz NITOVPYIGDICDY-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735507 769976317 /nfs/dbraw/zinc/97/63/17/769976317.db2.gz NITOVPYIGDICDY-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCN1C[C@@H](NC(=O)c2occc2CN(C)C)CC[C@H]1C ZINC001071775892 770047141 /nfs/dbraw/zinc/04/71/41/770047141.db2.gz JOIDKPAEFNWIOF-HIFRSBDPSA-N 2 1 303.406 1.557 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@H]2C1 ZINC001048896804 770069767 /nfs/dbraw/zinc/06/97/67/770069767.db2.gz HUTRBQLRETVABT-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048896804 770069780 /nfs/dbraw/zinc/06/97/80/770069780.db2.gz HUTRBQLRETVABT-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@H]2C1 ZINC001048896804 770069788 /nfs/dbraw/zinc/06/97/88/770069788.db2.gz HUTRBQLRETVABT-QLFBSQMISA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049108262 770391388 /nfs/dbraw/zinc/39/13/88/770391388.db2.gz UNARZFUNAOWZJM-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049108262 770391395 /nfs/dbraw/zinc/39/13/95/770391395.db2.gz UNARZFUNAOWZJM-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049108262 770391408 /nfs/dbraw/zinc/39/14/08/770391408.db2.gz UNARZFUNAOWZJM-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN(CC)CCO3)C[C@H]2C1 ZINC001049222890 770565672 /nfs/dbraw/zinc/56/56/72/770565672.db2.gz YEDLZPRPGMZMTP-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@H]2C1 ZINC001049222890 770565680 /nfs/dbraw/zinc/56/56/80/770565680.db2.gz YEDLZPRPGMZMTP-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@H]2C1 ZINC001049222890 770565684 /nfs/dbraw/zinc/56/56/84/770565684.db2.gz YEDLZPRPGMZMTP-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222890 770565691 /nfs/dbraw/zinc/56/56/91/770565691.db2.gz YEDLZPRPGMZMTP-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@H]2C1 ZINC001049222890 770565697 /nfs/dbraw/zinc/56/56/97/770565697.db2.gz YEDLZPRPGMZMTP-IXDOHACOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049481001 770910845 /nfs/dbraw/zinc/91/08/45/770910845.db2.gz HGTHISXNGHUSKB-YLFCFFPRSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049481001 770910852 /nfs/dbraw/zinc/91/08/52/770910852.db2.gz HGTHISXNGHUSKB-YLFCFFPRSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049481001 770910859 /nfs/dbraw/zinc/91/08/59/770910859.db2.gz HGTHISXNGHUSKB-YLFCFFPRSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049670753 771069878 /nfs/dbraw/zinc/06/98/78/771069878.db2.gz GPONDJCEPBFSIY-MWDXBVQZSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670753 771069881 /nfs/dbraw/zinc/06/98/81/771069881.db2.gz GPONDJCEPBFSIY-MWDXBVQZSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670753 771069883 /nfs/dbraw/zinc/06/98/83/771069883.db2.gz GPONDJCEPBFSIY-MWDXBVQZSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821013 771186114 /nfs/dbraw/zinc/18/61/14/771186114.db2.gz QTDOQVGHAWWQEI-ROUUACIJSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021354 771282152 /nfs/dbraw/zinc/28/21/52/771282152.db2.gz NGSKARIMRPYPEZ-KBPBESRZSA-N 2 1 302.422 1.268 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)CCn3ccnc3)C2)C1 ZINC001148010726 773315575 /nfs/dbraw/zinc/31/55/75/773315575.db2.gz IDNCIKZIIRFPGG-UHFFFAOYSA-N 2 1 318.421 1.010 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899542 773510260 /nfs/dbraw/zinc/51/02/60/773510260.db2.gz WOMRPKZFQLJDMZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899542 773510264 /nfs/dbraw/zinc/51/02/64/773510264.db2.gz WOMRPKZFQLJDMZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899542 773510268 /nfs/dbraw/zinc/51/02/68/773510268.db2.gz WOMRPKZFQLJDMZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748741 773590756 /nfs/dbraw/zinc/59/07/56/773590756.db2.gz XESQBGWNEDIDCP-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748741 773590758 /nfs/dbraw/zinc/59/07/58/773590758.db2.gz XESQBGWNEDIDCP-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748741 773590762 /nfs/dbraw/zinc/59/07/62/773590762.db2.gz XESQBGWNEDIDCP-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C(C)C)C[C@@]3(C)C2)CC1 ZINC001092299982 774051450 /nfs/dbraw/zinc/05/14/50/774051450.db2.gz MHSBQTPWFLVFOM-MJGOQNOKSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001074880613 774210548 /nfs/dbraw/zinc/21/05/48/774210548.db2.gz MBGCVZVTVMAHCX-ZQIUZPCESA-N 2 1 311.445 1.964 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC=C)CC1 ZINC001098460483 774586945 /nfs/dbraw/zinc/58/69/45/774586945.db2.gz DBEQBIOZSCDXIO-KURKYZTESA-N 2 1 315.461 1.629 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001098875502 774701983 /nfs/dbraw/zinc/70/19/83/774701983.db2.gz QVQNNGCQZNXTCJ-DAYGRLMNSA-N 2 1 312.417 1.364 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001098875502 774701987 /nfs/dbraw/zinc/70/19/87/774701987.db2.gz QVQNNGCQZNXTCJ-DAYGRLMNSA-N 2 1 312.417 1.364 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122624 774850537 /nfs/dbraw/zinc/85/05/37/774850537.db2.gz CWIVBYQXKYHOKD-YJBOKZPZSA-N 2 1 303.450 1.629 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099521791 775015578 /nfs/dbraw/zinc/01/55/78/775015578.db2.gz TXHSODFPEIUZQK-HZMVEIRTSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529539 775018435 /nfs/dbraw/zinc/01/84/35/775018435.db2.gz RTIYXVJCZGOQHT-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001100536241 776282079 /nfs/dbraw/zinc/28/20/79/776282079.db2.gz QOEXJNGNJWVEAC-UHFFFAOYSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001100677487 776431034 /nfs/dbraw/zinc/43/10/34/776431034.db2.gz PQHDFCDQXWNAHI-HWOWSKLDSA-N 2 1 316.449 1.814 20 30 DDEDMP CC(C)(C)OC(=O)N1CC[C@@H](n2c[nH+]cc2CC[NH3+])C[C@H]1C#N ZINC001172965888 776945135 /nfs/dbraw/zinc/94/51/35/776945135.db2.gz KBZNFMHTPLVSNQ-OCCSQVGLSA-N 2 1 319.409 1.848 20 30 DDEDMP C=CCOC1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001173313897 777084033 /nfs/dbraw/zinc/08/40/33/777084033.db2.gz GPGOAKXSGHWJEV-UHFFFAOYSA-N 2 1 309.454 1.254 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265209 777738163 /nfs/dbraw/zinc/73/81/63/777738163.db2.gz XZDIWJFQADHLGR-IAGOWNOFSA-N 2 1 323.481 1.243 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102525367 778184548 /nfs/dbraw/zinc/18/45/48/778184548.db2.gz YVZNVJBBZVUQSZ-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525367 778184552 /nfs/dbraw/zinc/18/45/52/778184552.db2.gz YVZNVJBBZVUQSZ-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525367 778184554 /nfs/dbraw/zinc/18/45/54/778184554.db2.gz YVZNVJBBZVUQSZ-HZPDHXFCSA-N 2 1 311.470 1.215 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102993902 778539271 /nfs/dbraw/zinc/53/92/71/778539271.db2.gz IHFJXGYYMMZZQL-DJIMGWMZSA-N 2 1 303.450 1.036 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103084109 778629579 /nfs/dbraw/zinc/62/95/79/778629579.db2.gz ZBDWZVIBNPWGCW-KURKYZTESA-N 2 1 319.493 1.672 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103084109 778629583 /nfs/dbraw/zinc/62/95/83/778629583.db2.gz ZBDWZVIBNPWGCW-KURKYZTESA-N 2 1 319.493 1.672 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103084109 778629587 /nfs/dbraw/zinc/62/95/87/778629587.db2.gz ZBDWZVIBNPWGCW-KURKYZTESA-N 2 1 319.493 1.672 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001103141560 778663240 /nfs/dbraw/zinc/66/32/40/778663240.db2.gz LKPDFRNNQXOXJX-IAGOWNOFSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170519 778686159 /nfs/dbraw/zinc/68/61/59/778686159.db2.gz AFINPZJIRPAURB-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001103170519 778686162 /nfs/dbraw/zinc/68/61/62/778686162.db2.gz AFINPZJIRPAURB-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103435161 778865246 /nfs/dbraw/zinc/86/52/46/778865246.db2.gz SGCVBDKSKHOWAS-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103435161 778865252 /nfs/dbraw/zinc/86/52/52/778865252.db2.gz SGCVBDKSKHOWAS-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103435161 778865260 /nfs/dbraw/zinc/86/52/60/778865260.db2.gz SGCVBDKSKHOWAS-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178106570 778874151 /nfs/dbraw/zinc/87/41/51/778874151.db2.gz DOQZEYBCHFZITF-AWEZNQCLSA-N 2 1 317.861 1.336 20 30 DDEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001178106570 778874154 /nfs/dbraw/zinc/87/41/54/778874154.db2.gz DOQZEYBCHFZITF-AWEZNQCLSA-N 2 1 317.861 1.336 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655243 778982085 /nfs/dbraw/zinc/98/20/85/778982085.db2.gz WLSRQYSOSTZNLK-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001103757240 779033152 /nfs/dbraw/zinc/03/31/52/779033152.db2.gz SKQSJLWTQLKCOL-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001178688020 779141024 /nfs/dbraw/zinc/14/10/24/779141024.db2.gz CCQWXHOZSPWSIF-QGZVFWFLSA-N 2 1 307.482 1.864 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178815352 779201596 /nfs/dbraw/zinc/20/15/96/779201596.db2.gz AGXXVQZJXCRLLH-IAGOWNOFSA-N 2 1 305.466 1.903 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580729 779431014 /nfs/dbraw/zinc/43/10/14/779431014.db2.gz NSAWQORPKMDJKH-QGZVFWFLSA-N 2 1 323.481 1.387 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111767238 779471535 /nfs/dbraw/zinc/47/15/35/779471535.db2.gz VIPWWAGTVPWUFM-ZOBUZTSGSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001179788017 779487493 /nfs/dbraw/zinc/48/74/93/779487493.db2.gz JEDQKNUORHPNDG-DLBZAZTESA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001115116636 779885383 /nfs/dbraw/zinc/88/53/83/779885383.db2.gz ORFDSNPVYOODGA-VSZNYVQBSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001115116636 779885389 /nfs/dbraw/zinc/88/53/89/779885389.db2.gz ORFDSNPVYOODGA-VSZNYVQBSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001115116636 779885395 /nfs/dbraw/zinc/88/53/95/779885395.db2.gz ORFDSNPVYOODGA-VSZNYVQBSA-N 2 1 311.429 1.359 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115573405 780243721 /nfs/dbraw/zinc/24/37/21/780243721.db2.gz QOBPYDUNWKLJLM-UHFFFAOYSA-N 2 1 305.466 1.903 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267145033 837413265 /nfs/dbraw/zinc/41/32/65/837413265.db2.gz LSRFFORVVJRORW-WMLDXEAASA-N 2 1 311.445 1.707 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001267257109 837678485 /nfs/dbraw/zinc/67/84/85/837678485.db2.gz OKMZAYUHABAGLL-UHFFFAOYSA-N 2 1 301.434 1.823 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001266494284 836346135 /nfs/dbraw/zinc/34/61/35/836346135.db2.gz NRUVOODQKWLQPT-IYBDPMFKSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001266494284 836346147 /nfs/dbraw/zinc/34/61/47/836346147.db2.gz NRUVOODQKWLQPT-IYBDPMFKSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001279222831 836566960 /nfs/dbraw/zinc/56/69/60/836566960.db2.gz WAJQVRKOPHPQBE-ZJPYXAASSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001279222831 836566971 /nfs/dbraw/zinc/56/69/71/836566971.db2.gz WAJQVRKOPHPQBE-ZJPYXAASSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001279222831 836566983 /nfs/dbraw/zinc/56/69/83/836566983.db2.gz WAJQVRKOPHPQBE-ZJPYXAASSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1CCC(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267945011 839237283 /nfs/dbraw/zinc/23/72/83/839237283.db2.gz VBGWLMAOILFGRT-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)Cn2cncc2C)CC1 ZINC001268199860 839831322 /nfs/dbraw/zinc/83/13/22/839831322.db2.gz MTPLWMMUGPIAPU-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CCC[N@@H+](C)CCC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001268199860 839831326 /nfs/dbraw/zinc/83/13/26/839831326.db2.gz MTPLWMMUGPIAPU-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CCC[N@H+](C)CCC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001268199860 839831332 /nfs/dbraw/zinc/83/13/32/839831332.db2.gz MTPLWMMUGPIAPU-UHFFFAOYSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001269080315 841179263 /nfs/dbraw/zinc/17/92/63/841179263.db2.gz ZGRNKTZUXWVWFH-MSOLQXFVSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001269080318 841179544 /nfs/dbraw/zinc/17/95/44/841179544.db2.gz ZGRNKTZUXWVWFH-ZWKOTPCHSA-N 2 1 317.477 1.901 20 30 DDEDMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001270158630 842341696 /nfs/dbraw/zinc/34/16/96/842341696.db2.gz VYASGWPIYRURLM-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001270158630 842341708 /nfs/dbraw/zinc/34/17/08/842341708.db2.gz VYASGWPIYRURLM-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(Cl)CNCCNC(=O)CN1CCc2sccc2C1 ZINC001152186577 863206578 /nfs/dbraw/zinc/20/65/78/863206578.db2.gz QKQOTKFRWVZZCL-UHFFFAOYSA-N 2 1 313.854 1.565 20 30 DDEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001270796631 842907077 /nfs/dbraw/zinc/90/70/77/842907077.db2.gz IAWMNOMZBVFFCE-MSOLQXFVSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001272699424 846653191 /nfs/dbraw/zinc/65/31/91/846653191.db2.gz JESOZJLZDMTGLG-GOSISDBHSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CCN1C(=O)C[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272870107 847572310 /nfs/dbraw/zinc/57/23/10/847572310.db2.gz HUPIFPJATJCRNQ-GOSISDBHSA-N 2 1 319.449 1.049 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001272888156 847591636 /nfs/dbraw/zinc/59/16/36/847591636.db2.gz PROAQCMAHORODK-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001272887286 847594980 /nfs/dbraw/zinc/59/49/80/847594980.db2.gz BKVINBIVYKCJIR-GOSISDBHSA-N 2 1 318.465 1.556 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034238791 848165158 /nfs/dbraw/zinc/16/51/58/848165158.db2.gz FGNNBFSOQPMHNM-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034238791 848165163 /nfs/dbraw/zinc/16/51/63/848165163.db2.gz FGNNBFSOQPMHNM-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034238791 848165167 /nfs/dbraw/zinc/16/51/67/848165167.db2.gz FGNNBFSOQPMHNM-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001327130763 861914659 /nfs/dbraw/zinc/91/46/59/861914659.db2.gz NSBULBRLQZNZTJ-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001327130763 861914670 /nfs/dbraw/zinc/91/46/70/861914670.db2.gz NSBULBRLQZNZTJ-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001327130763 861914681 /nfs/dbraw/zinc/91/46/81/861914681.db2.gz NSBULBRLQZNZTJ-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@@]23CCN(CCCC#N)C3=O)C1 ZINC001273144847 848568331 /nfs/dbraw/zinc/56/83/31/848568331.db2.gz SXAAQMFPMKKMGU-WMZOPIPTSA-N 2 1 318.465 1.699 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@@]23CCN(CCCC#N)C3=O)C1 ZINC001273144847 848568339 /nfs/dbraw/zinc/56/83/39/848568339.db2.gz SXAAQMFPMKKMGU-WMZOPIPTSA-N 2 1 318.465 1.699 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)C1 ZINC001273144847 848568345 /nfs/dbraw/zinc/56/83/45/848568345.db2.gz SXAAQMFPMKKMGU-WMZOPIPTSA-N 2 1 318.465 1.699 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@@]23CCN(CCCC#N)C3=O)C1 ZINC001273144847 848568353 /nfs/dbraw/zinc/56/83/53/848568353.db2.gz SXAAQMFPMKKMGU-WMZOPIPTSA-N 2 1 318.465 1.699 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841913 861937776 /nfs/dbraw/zinc/93/77/76/861937776.db2.gz MLAPGSYOSNVMFW-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001273457372 850843082 /nfs/dbraw/zinc/84/30/82/850843082.db2.gz OYMYPTPZEKTPTM-GJZGRUSLSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001273457372 850843087 /nfs/dbraw/zinc/84/30/87/850843087.db2.gz OYMYPTPZEKTPTM-GJZGRUSLSA-N 2 1 302.422 1.582 20 30 DDEDMP C=CCCCC[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273495269 851029895 /nfs/dbraw/zinc/02/98/95/851029895.db2.gz SAEUTDMNLPIEQD-QGZVFWFLSA-N 2 1 309.454 1.208 20 30 DDEDMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](CCCCC#N)CC2)C1=O ZINC001274043334 851885442 /nfs/dbraw/zinc/88/54/42/851885442.db2.gz QEZGLXDIBGQHLY-GOSISDBHSA-N 2 1 320.481 1.946 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001274375771 852205654 /nfs/dbraw/zinc/20/56/54/852205654.db2.gz ZBHYLSRZGMBEKV-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001274919777 852692046 /nfs/dbraw/zinc/69/20/46/852692046.db2.gz RQYGIYNADDBHFV-IAGOWNOFSA-N 2 1 313.445 1.474 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001275024531 852756870 /nfs/dbraw/zinc/75/68/70/852756870.db2.gz HJFYRLPWJSMMBQ-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC001275034187 852761380 /nfs/dbraw/zinc/76/13/80/852761380.db2.gz GWXNRFFZWDEIAU-UHFFFAOYSA-N 2 1 313.449 1.413 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CN(C)CCO1 ZINC001275100746 852805485 /nfs/dbraw/zinc/80/54/85/852805485.db2.gz QVRUBFJAFLLQPX-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275779519 853732932 /nfs/dbraw/zinc/73/29/32/853732932.db2.gz FQZOVQZLKCMVCP-CVEARBPZSA-N 2 1 302.422 1.479 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001275807237 853796326 /nfs/dbraw/zinc/79/63/26/853796326.db2.gz RGYURPGLPNFMIV-DLBZAZTESA-N 2 1 323.481 1.549 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111274561 855404099 /nfs/dbraw/zinc/40/40/99/855404099.db2.gz HZLUENNKWBGHAI-HZMVEIRTSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274561 855404103 /nfs/dbraw/zinc/40/41/03/855404103.db2.gz HZLUENNKWBGHAI-HZMVEIRTSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111274561 855404109 /nfs/dbraw/zinc/40/41/09/855404109.db2.gz HZLUENNKWBGHAI-HZMVEIRTSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001151307994 862722862 /nfs/dbraw/zinc/72/28/62/862722862.db2.gz ILDGLICWOGKVFS-JKSUJKDBSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549927 856962244 /nfs/dbraw/zinc/96/22/44/856962244.db2.gz UFJUQDBSOKTFEJ-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549927 856962252 /nfs/dbraw/zinc/96/22/52/856962252.db2.gz UFJUQDBSOKTFEJ-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549927 856962253 /nfs/dbraw/zinc/96/22/53/856962253.db2.gz UFJUQDBSOKTFEJ-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549927 856962257 /nfs/dbraw/zinc/96/22/57/856962257.db2.gz UFJUQDBSOKTFEJ-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C[C@@H]1C ZINC001328288360 862869989 /nfs/dbraw/zinc/86/99/89/862869989.db2.gz ZMGQCCJATYTGBV-LSDHHAIUSA-N 2 1 304.438 1.898 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734833 857652314 /nfs/dbraw/zinc/65/23/14/857652314.db2.gz QOXYRAKSVDFQJL-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734833 857652321 /nfs/dbraw/zinc/65/23/21/857652321.db2.gz QOXYRAKSVDFQJL-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734833 857652325 /nfs/dbraw/zinc/65/23/25/857652325.db2.gz QOXYRAKSVDFQJL-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072811919 857738573 /nfs/dbraw/zinc/73/85/73/857738573.db2.gz LJIZFSGVTMBSSC-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811919 857738579 /nfs/dbraw/zinc/73/85/79/857738579.db2.gz LJIZFSGVTMBSSC-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072811919 857738580 /nfs/dbraw/zinc/73/85/80/857738580.db2.gz LJIZFSGVTMBSSC-KRWDZBQOSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813603 857742537 /nfs/dbraw/zinc/74/25/37/857742537.db2.gz YLTGZQGFXCPBRW-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813603 857742544 /nfs/dbraw/zinc/74/25/44/857742544.db2.gz YLTGZQGFXCPBRW-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850298 857798478 /nfs/dbraw/zinc/79/84/78/857798478.db2.gz VMTOQLZJMAVSKQ-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850298 857798488 /nfs/dbraw/zinc/79/84/88/857798488.db2.gz VMTOQLZJMAVSKQ-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850298 857798493 /nfs/dbraw/zinc/79/84/93/857798493.db2.gz VMTOQLZJMAVSKQ-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073461290 858357116 /nfs/dbraw/zinc/35/71/16/858357116.db2.gz BTAAVAYDLMMRNP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073461290 858357119 /nfs/dbraw/zinc/35/71/19/858357119.db2.gz BTAAVAYDLMMRNP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073461290 858357123 /nfs/dbraw/zinc/35/71/23/858357123.db2.gz BTAAVAYDLMMRNP-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001325819418 860854617 /nfs/dbraw/zinc/85/46/17/860854617.db2.gz VPYWMJONWVIGFY-UHFFFAOYSA-N 2 1 310.486 1.073 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001325899795 860938058 /nfs/dbraw/zinc/93/80/58/860938058.db2.gz RGFLYMMQYPUBMX-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001277018778 881675810 /nfs/dbraw/zinc/67/58/10/881675810.db2.gz BUINNPOFQNLMMW-WKILWMFISA-N 2 1 305.466 1.759 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C(C)C)CCO1 ZINC001158385449 864615735 /nfs/dbraw/zinc/61/57/35/864615735.db2.gz IRNLTDBVYAFRJS-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001158385449 864615738 /nfs/dbraw/zinc/61/57/38/864615738.db2.gz IRNLTDBVYAFRJS-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001158385449 864615741 /nfs/dbraw/zinc/61/57/41/864615741.db2.gz IRNLTDBVYAFRJS-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001158385449 864615747 /nfs/dbraw/zinc/61/57/47/864615747.db2.gz IRNLTDBVYAFRJS-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159839358 865554618 /nfs/dbraw/zinc/55/46/18/865554618.db2.gz ZEASVHPJLDTGRL-INIZCTEOSA-N 2 1 311.470 1.263 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001332312172 865750807 /nfs/dbraw/zinc/75/08/07/865750807.db2.gz WSRYUURJAJWHEN-HOTGVXAUSA-N 2 1 316.449 1.904 20 30 DDEDMP CC#CC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001332426470 865833544 /nfs/dbraw/zinc/83/35/44/865833544.db2.gz DMOOLWZLLZPEHZ-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001160492219 865882231 /nfs/dbraw/zinc/88/22/31/865882231.db2.gz OJFIGVGICBBFDJ-UHFFFAOYSA-N 2 1 315.461 1.634 20 30 DDEDMP C=CCOc1cc(C)nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160513058 865897282 /nfs/dbraw/zinc/89/72/82/865897282.db2.gz JLEPLKHFTAEFSN-MRXNPFEDSA-N 2 1 303.410 1.185 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001161250712 866467753 /nfs/dbraw/zinc/46/77/53/866467753.db2.gz CLZPCHDKNNABDY-UHFFFAOYSA-N 2 1 316.449 1.884 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001161749774 866960495 /nfs/dbraw/zinc/96/04/95/866960495.db2.gz LVGTWEGOUBCHPC-UHFFFAOYSA-N 2 1 305.466 1.880 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749774 866960514 /nfs/dbraw/zinc/96/05/14/866960514.db2.gz LVGTWEGOUBCHPC-UHFFFAOYSA-N 2 1 305.466 1.880 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CCC)CC1 ZINC001161749774 866960518 /nfs/dbraw/zinc/96/05/18/866960518.db2.gz LVGTWEGOUBCHPC-UHFFFAOYSA-N 2 1 305.466 1.880 20 30 DDEDMP CC#CC[NH2+]C/C=C\CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001321177238 867376221 /nfs/dbraw/zinc/37/62/21/867376221.db2.gz YCYTWEABMGZTCW-HJWRWDBZSA-N 2 1 305.466 1.926 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(F)cc1 ZINC001321757130 867774966 /nfs/dbraw/zinc/77/49/66/867774966.db2.gz WEWIXQDVGQBSPB-OAHLLOKOSA-N 2 1 319.424 1.612 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872182 867889100 /nfs/dbraw/zinc/88/91/00/867889100.db2.gz JOTGHCHTWATDLQ-VUGNNNGISA-N 2 1 321.465 1.300 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163311094 868337894 /nfs/dbraw/zinc/33/78/94/868337894.db2.gz QLQCMOIJQCFGIP-DYVFJYSZSA-N 2 1 313.405 1.940 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC001335986111 868661347 /nfs/dbraw/zinc/66/13/47/868661347.db2.gz JWIMTSKAZQTNQF-KRWDZBQOSA-N 2 1 308.466 1.510 20 30 DDEDMP COc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc1CC#N ZINC001164211194 869019431 /nfs/dbraw/zinc/01/94/31/869019431.db2.gz NICMIAKZARBWJT-UHFFFAOYSA-N 2 1 317.437 1.594 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531356 869263472 /nfs/dbraw/zinc/26/34/72/869263472.db2.gz FLNVASIAWRQIMU-SJORKVTESA-N 2 1 317.477 1.760 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001164578857 869301079 /nfs/dbraw/zinc/30/10/79/869301079.db2.gz WGNCOYNTFSGMHI-OAHLLOKOSA-N 2 1 316.449 1.906 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001165473102 869612757 /nfs/dbraw/zinc/61/27/57/869612757.db2.gz XBRGPLVCAJBZPD-KRWDZBQOSA-N 2 1 319.493 1.864 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001317039912 870151297 /nfs/dbraw/zinc/15/12/97/870151297.db2.gz NHBRGBHWHKQQKM-KRWDZBQOSA-N 2 1 307.482 1.912 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317062585 870187448 /nfs/dbraw/zinc/18/74/48/870187448.db2.gz HZYTXUJCQLGMIZ-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001317082060 870217763 /nfs/dbraw/zinc/21/77/63/870217763.db2.gz INBAAEDEHFDEHU-ZOBUZTSGSA-N 2 1 303.450 1.654 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001340029683 870848889 /nfs/dbraw/zinc/84/88/89/870848889.db2.gz NJVQVINRGUWPSC-HYVNUMGLSA-N 2 1 320.481 1.666 20 30 DDEDMP CN(C)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(F)c1C#N ZINC001205242585 871453820 /nfs/dbraw/zinc/45/38/20/871453820.db2.gz YINFYIXAWXXOBI-QGZVFWFLSA-N 2 1 320.412 1.439 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205285295 871484904 /nfs/dbraw/zinc/48/49/04/871484904.db2.gz VTWWQZFHXGSZIB-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC001341570316 871719583 /nfs/dbraw/zinc/71/95/83/871719583.db2.gz WOCWRDICKRZZDP-SFHVURJKSA-N 2 1 313.445 1.799 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001316772941 872019688 /nfs/dbraw/zinc/01/96/88/872019688.db2.gz QKPMELSMFLPPMJ-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001316789308 872046224 /nfs/dbraw/zinc/04/62/24/872046224.db2.gz OGFQKPKYEONRJK-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001316789308 872046245 /nfs/dbraw/zinc/04/62/45/872046245.db2.gz OGFQKPKYEONRJK-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001316789308 872046265 /nfs/dbraw/zinc/04/62/65/872046265.db2.gz OGFQKPKYEONRJK-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482813 872107459 /nfs/dbraw/zinc/10/74/59/872107459.db2.gz LXNRTWRKGCYQOU-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318482813 872107468 /nfs/dbraw/zinc/10/74/68/872107468.db2.gz LXNRTWRKGCYQOU-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318482813 872107479 /nfs/dbraw/zinc/10/74/79/872107479.db2.gz LXNRTWRKGCYQOU-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001318887674 872329138 /nfs/dbraw/zinc/32/91/38/872329138.db2.gz XMBGIKJJEGTLGE-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC#CC)CC1 ZINC001319021217 872402465 /nfs/dbraw/zinc/40/24/65/872402465.db2.gz VRDBMZYMNCCHOX-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC#CC)CC1 ZINC001319021217 872402479 /nfs/dbraw/zinc/40/24/79/872402479.db2.gz VRDBMZYMNCCHOX-SFHVURJKSA-N 2 1 315.461 1.326 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549003 872431699 /nfs/dbraw/zinc/43/16/99/872431699.db2.gz SUPSFEOKFFQOOQ-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206929794 872791028 /nfs/dbraw/zinc/79/10/28/872791028.db2.gz CLQKNUHHXDYUPK-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP Cn1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1C#N ZINC001207105425 873022206 /nfs/dbraw/zinc/02/22/06/873022206.db2.gz XCXRJZWYGZDOBX-DLBZAZTESA-N 2 1 301.438 1.107 20 30 DDEDMP CC[N@@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001361996140 882787177 /nfs/dbraw/zinc/78/71/77/882787177.db2.gz QLLJUULEPBEVOG-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP CC[N@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC001361996140 882787185 /nfs/dbraw/zinc/78/71/85/882787185.db2.gz QLLJUULEPBEVOG-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001208355872 874053616 /nfs/dbraw/zinc/05/36/16/874053616.db2.gz IJEHSXWIUMVZBM-QKNOVVFDSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001208355872 874053632 /nfs/dbraw/zinc/05/36/32/874053632.db2.gz IJEHSXWIUMVZBM-QKNOVVFDSA-N 2 1 309.841 1.417 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423727 874130387 /nfs/dbraw/zinc/13/03/87/874130387.db2.gz OARPOXHOJZCJDT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC3(C#N)CC[NH+](C)CC3)C[N@H+]2C1 ZINC001347617677 874213858 /nfs/dbraw/zinc/21/38/58/874213858.db2.gz OUQKHZONUKUBBN-ILXRZTDVSA-N 2 1 304.438 1.211 20 30 DDEDMP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1ccc(C#N)s1 ZINC001378346939 874727951 /nfs/dbraw/zinc/72/79/51/874727951.db2.gz ZTGNRFXASUJEIU-ZDUSSCGKSA-N 2 1 322.478 1.944 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN2CCOCC2)C1 ZINC001209505849 874927003 /nfs/dbraw/zinc/92/70/03/874927003.db2.gz ACPPRTSBBPXUTP-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209505849 874927013 /nfs/dbraw/zinc/92/70/13/874927013.db2.gz ACPPRTSBBPXUTP-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209505849 874927016 /nfs/dbraw/zinc/92/70/16/874927016.db2.gz ACPPRTSBBPXUTP-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209640323 875028579 /nfs/dbraw/zinc/02/85/79/875028579.db2.gz AULXNVKCNSOOAS-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211269949 875734285 /nfs/dbraw/zinc/73/42/85/875734285.db2.gz WBNAVSNPBMPFFX-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215727699 876792333 /nfs/dbraw/zinc/79/23/33/876792333.db2.gz DPIJCTJEFRUWQI-HUUCEWRRSA-N 2 1 302.422 1.466 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001219632637 878403942 /nfs/dbraw/zinc/40/39/42/878403942.db2.gz GDYYJGXSSZZKJO-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)CC[NH+](CC)CC)C1 ZINC001357836948 880219176 /nfs/dbraw/zinc/21/91/76/880219176.db2.gz KHLKGHYIMNMTQS-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)CC[NH+](CC)CC)C1 ZINC001357836948 880219189 /nfs/dbraw/zinc/21/91/89/880219189.db2.gz KHLKGHYIMNMTQS-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224228164 881283917 /nfs/dbraw/zinc/28/39/17/881283917.db2.gz VUHSXVRRUKSBRV-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001277393264 884015641 /nfs/dbraw/zinc/01/56/41/884015641.db2.gz HZJBTZBWXPRGTO-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001277393264 884015653 /nfs/dbraw/zinc/01/56/53/884015653.db2.gz HZJBTZBWXPRGTO-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001277393264 884015664 /nfs/dbraw/zinc/01/56/64/884015664.db2.gz HZJBTZBWXPRGTO-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+](CCOC)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001277413606 884128207 /nfs/dbraw/zinc/12/82/07/884128207.db2.gz WTOXYUQIKIZBGG-UHFFFAOYSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CCC[NH+](CCOC)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001277413606 884128212 /nfs/dbraw/zinc/12/82/12/884128212.db2.gz WTOXYUQIKIZBGG-UHFFFAOYSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CCC[NH+](CCOC)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001277413606 884128218 /nfs/dbraw/zinc/12/82/18/884128218.db2.gz WTOXYUQIKIZBGG-UHFFFAOYSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001277448358 884367870 /nfs/dbraw/zinc/36/78/70/884367870.db2.gz ZQZLHUFNLIYRNQ-HOTGVXAUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215165 884377139 /nfs/dbraw/zinc/37/71/39/884377139.db2.gz IAXWKKZTCFHBCI-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215165 884377152 /nfs/dbraw/zinc/37/71/52/884377152.db2.gz IAXWKKZTCFHBCI-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001277454019 884444787 /nfs/dbraw/zinc/44/47/87/884444787.db2.gz GUDIDGHQLVSZCZ-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001230610409 884651596 /nfs/dbraw/zinc/65/15/96/884651596.db2.gz AIEBGMABFAJPRI-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829922 884934046 /nfs/dbraw/zinc/93/40/46/884934046.db2.gz RGKOIOCNXARTPL-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)CCC[NH+](C)C)Cc1cccnc1 ZINC001230829922 884934067 /nfs/dbraw/zinc/93/40/67/884934067.db2.gz RGKOIOCNXARTPL-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C=CCCCCCCCCN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235868109 888988680 /nfs/dbraw/zinc/98/86/80/888988680.db2.gz AGESEHNJYUKKPU-UHFFFAOYSA-N 2 1 310.530 1.988 20 30 DDEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001365993261 892154750 /nfs/dbraw/zinc/15/47/50/892154750.db2.gz IIYPUPCJPOEUFZ-IRXDYDNUSA-N 2 1 314.433 1.589 20 30 DDEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001365993261 892154762 /nfs/dbraw/zinc/15/47/62/892154762.db2.gz IIYPUPCJPOEUFZ-IRXDYDNUSA-N 2 1 314.433 1.589 20 30 DDEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001278426723 892376860 /nfs/dbraw/zinc/37/68/60/892376860.db2.gz JDWBSMNNYNUIAE-GOSISDBHSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001278426723 892376843 /nfs/dbraw/zinc/37/68/43/892376843.db2.gz JDWBSMNNYNUIAE-GOSISDBHSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001278426723 892376878 /nfs/dbraw/zinc/37/68/78/892376878.db2.gz JDWBSMNNYNUIAE-GOSISDBHSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001246302779 892527523 /nfs/dbraw/zinc/52/75/23/892527523.db2.gz FQWCOGLYRAALBB-RDBSUJKOSA-N 2 1 312.410 1.145 20 30 DDEDMP N#C[C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3F)CC[NH2+]CC2)CCN1 ZINC001246380477 892586902 /nfs/dbraw/zinc/58/69/02/892586902.db2.gz HMYWHMWJFIIQFI-HOTGVXAUSA-N 2 1 316.424 1.724 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001278506349 893639385 /nfs/dbraw/zinc/63/93/85/893639385.db2.gz ZKZPNTNEWYVMPU-DOTOQJQBSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCF)C1 ZINC001278506349 893639391 /nfs/dbraw/zinc/63/93/91/893639391.db2.gz ZKZPNTNEWYVMPU-DOTOQJQBSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001251847619 894839154 /nfs/dbraw/zinc/83/91/54/894839154.db2.gz JFPYEWJICODOAZ-OTWHNJEPSA-N 2 1 314.429 1.061 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001251847619 894839167 /nfs/dbraw/zinc/83/91/67/894839167.db2.gz JFPYEWJICODOAZ-OTWHNJEPSA-N 2 1 314.429 1.061 20 30 DDEDMP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001251847619 894839179 /nfs/dbraw/zinc/83/91/79/894839179.db2.gz JFPYEWJICODOAZ-OTWHNJEPSA-N 2 1 314.429 1.061 20 30 DDEDMP C=CCC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001252614829 895317661 /nfs/dbraw/zinc/31/76/61/895317661.db2.gz PTVDAZYABHAZCJ-LJQANCHMSA-N 2 1 317.477 1.851 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C2 ZINC001254500653 896462574 /nfs/dbraw/zinc/46/25/74/896462574.db2.gz XHHCUXZKSUJBML-IRXDYDNUSA-N 2 1 315.461 1.966 20 30 DDEDMP C=CCN1CC[C@@]2(CCCN([C@@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254517172 896474639 /nfs/dbraw/zinc/47/46/39/896474639.db2.gz FGXDAEQTNAYQQV-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367415443 896713073 /nfs/dbraw/zinc/71/30/73/896713073.db2.gz GUFOGKKONMCNPY-KGLIPLIRSA-N 2 1 301.862 1.954 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367415441 896713743 /nfs/dbraw/zinc/71/37/43/896713743.db2.gz GUFOGKKONMCNPY-KBPBESRZSA-N 2 1 301.862 1.954 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCC)CC[NH+](CC)CC)C1 ZINC001255364919 896865240 /nfs/dbraw/zinc/86/52/40/896865240.db2.gz TXYBTAVCCAHHPE-KRWDZBQOSA-N 2 1 322.497 1.847 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCC)CC[NH+](CC)CC)C1 ZINC001255364919 896865251 /nfs/dbraw/zinc/86/52/51/896865251.db2.gz TXYBTAVCCAHHPE-KRWDZBQOSA-N 2 1 322.497 1.847 20 30 DDEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001280821601 901195587 /nfs/dbraw/zinc/19/55/87/901195587.db2.gz FSAAAXOBSCUYHZ-INIZCTEOSA-N 2 1 311.470 1.003 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001265193751 901685562 /nfs/dbraw/zinc/68/55/62/901685562.db2.gz STZVFFVWSCGFLU-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001370037665 902432706 /nfs/dbraw/zinc/43/27/06/902432706.db2.gz IWASTWSBNFMOEE-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001370037665 902432709 /nfs/dbraw/zinc/43/27/09/902432709.db2.gz IWASTWSBNFMOEE-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001370037665 902432715 /nfs/dbraw/zinc/43/27/15/902432715.db2.gz IWASTWSBNFMOEE-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001370037665 902432720 /nfs/dbraw/zinc/43/27/20/902432720.db2.gz IWASTWSBNFMOEE-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279576445 903336343 /nfs/dbraw/zinc/33/63/43/903336343.db2.gz NKJALDJCQJRIHX-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001279646342 903366737 /nfs/dbraw/zinc/36/67/37/903366737.db2.gz ZTMLBQUNKMOALA-OAHLLOKOSA-N 2 1 300.406 1.606 20 30 DDEDMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@H+](C)CCC)cc1 ZINC001280354543 903604739 /nfs/dbraw/zinc/60/47/39/903604739.db2.gz PXCQQXFSLUUACS-HNNXBMFYSA-N 2 1 301.434 1.928 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001282928087 906260199 /nfs/dbraw/zinc/26/01/99/906260199.db2.gz IWIBEKQLKNIRLD-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001283344635 907182063 /nfs/dbraw/zinc/18/20/63/907182063.db2.gz UOGSCRPQTJKFFZ-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001283471264 907406089 /nfs/dbraw/zinc/40/60/89/907406089.db2.gz KVFMVIUYNHXUPV-IAGOWNOFSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC=C)C(C)(C)C1 ZINC001284292280 908783016 /nfs/dbraw/zinc/78/30/16/908783016.db2.gz QOXQPMGRZHANLH-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC=C)C(C)(C)C1 ZINC001284292280 908783030 /nfs/dbraw/zinc/78/30/30/908783030.db2.gz QOXQPMGRZHANLH-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284492446 909074212 /nfs/dbraw/zinc/07/42/12/909074212.db2.gz KEDIMJDSDWULHT-SJORKVTESA-N 2 1 323.481 1.046 20 30 DDEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330248013 539309979 /nfs/dbraw/zinc/30/99/79/539309979.db2.gz ZCGWYFOKXPWYLG-OAHLLOKOSA-N 2 1 322.453 1.122 20 30 DDEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330248013 539309981 /nfs/dbraw/zinc/30/99/81/539309981.db2.gz ZCGWYFOKXPWYLG-OAHLLOKOSA-N 2 1 322.453 1.122 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000090064928 353788641 /nfs/dbraw/zinc/78/86/41/353788641.db2.gz CAURJYXPCFBCKP-ZBFHGGJFSA-N 2 1 318.421 1.675 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000090064928 353788643 /nfs/dbraw/zinc/78/86/43/353788643.db2.gz CAURJYXPCFBCKP-ZBFHGGJFSA-N 2 1 318.421 1.675 20 30 DDEDMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330286285 283094920 /nfs/dbraw/zinc/09/49/20/283094920.db2.gz ZRSABCKNIGZKLI-RBSFLKMASA-N 2 1 317.437 1.528 20 30 DDEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000330286285 283094922 /nfs/dbraw/zinc/09/49/22/283094922.db2.gz ZRSABCKNIGZKLI-RBSFLKMASA-N 2 1 317.437 1.528 20 30 DDEDMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000597943135 357392900 /nfs/dbraw/zinc/39/29/00/357392900.db2.gz VFLWDBJMRWCWTJ-AWEZNQCLSA-N 2 1 317.437 1.264 20 30 DDEDMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncc1C#N ZINC000597943135 357392903 /nfs/dbraw/zinc/39/29/03/357392903.db2.gz VFLWDBJMRWCWTJ-AWEZNQCLSA-N 2 1 317.437 1.264 20 30 DDEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000598679780 357684365 /nfs/dbraw/zinc/68/43/65/357684365.db2.gz MXVSSLXREREQNC-QGZVFWFLSA-N 2 1 312.417 1.202 20 30 DDEDMP CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846817 359234022 /nfs/dbraw/zinc/23/40/22/359234022.db2.gz HPENRTCFWHJUFS-MRXNPFEDSA-N 2 1 302.422 1.894 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)NC3(C#N)CCCCC3)C2)CC1 ZINC000602876615 359259774 /nfs/dbraw/zinc/25/97/74/359259774.db2.gz HKABRNFNEOQURD-UHFFFAOYSA-N 2 1 318.465 1.747 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994148 360594908 /nfs/dbraw/zinc/59/49/08/360594908.db2.gz UIQPXJBYVQGKQH-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994148 360594913 /nfs/dbraw/zinc/59/49/13/360594913.db2.gz UIQPXJBYVQGKQH-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC001120439164 781943619 /nfs/dbraw/zinc/94/36/19/781943619.db2.gz FAYCEVDUCVTAGN-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003882 407164019 /nfs/dbraw/zinc/16/40/19/407164019.db2.gz UFJRNYRNDQYGAZ-LSDHHAIUSA-N 2 1 317.437 1.435 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003882 407164021 /nfs/dbraw/zinc/16/40/21/407164021.db2.gz UFJRNYRNDQYGAZ-LSDHHAIUSA-N 2 1 317.437 1.435 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000125433024 407388653 /nfs/dbraw/zinc/38/86/53/407388653.db2.gz VVJFBHBXIBWVPZ-MRXNPFEDSA-N 2 1 317.477 1.807 20 30 DDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCOCC2)[C@@H]1c1cccs1 ZINC000178583670 407499644 /nfs/dbraw/zinc/49/96/44/407499644.db2.gz PBIMRWWDCCVGDA-DZGCQCFKSA-N 2 1 322.478 1.778 20 30 DDEDMP C#CC[N@@H+](CC)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267336199 407839857 /nfs/dbraw/zinc/83/98/57/407839857.db2.gz RMEXUQVJXVKBCV-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+](CC)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267336199 407839861 /nfs/dbraw/zinc/83/98/61/407839861.db2.gz RMEXUQVJXVKBCV-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+](CC)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267336199 407839868 /nfs/dbraw/zinc/83/98/68/407839868.db2.gz RMEXUQVJXVKBCV-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+](CC)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000267336199 407839873 /nfs/dbraw/zinc/83/98/73/407839873.db2.gz RMEXUQVJXVKBCV-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000159019150 408378450 /nfs/dbraw/zinc/37/84/50/408378450.db2.gz DXKLQYJSNKMDJS-HNNXBMFYSA-N 2 1 306.454 1.603 20 30 DDEDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000159019150 408378455 /nfs/dbraw/zinc/37/84/55/408378455.db2.gz DXKLQYJSNKMDJS-HNNXBMFYSA-N 2 1 306.454 1.603 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000296590269 409625148 /nfs/dbraw/zinc/62/51/48/409625148.db2.gz IZLCHAUFQNZVQZ-UHFFFAOYSA-N 2 1 306.454 1.281 20 30 DDEDMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CC[N@H+]1C ZINC000316810818 409856190 /nfs/dbraw/zinc/85/61/90/409856190.db2.gz PWBUKOAIBZCQQP-BMFZPTHFSA-N 2 1 303.406 1.370 20 30 DDEDMP Cc1ccc2nc(CNC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cn2c1 ZINC000328961521 410023431 /nfs/dbraw/zinc/02/34/31/410023431.db2.gz QDFMJENCUHZQFY-HNNXBMFYSA-N 2 1 313.405 1.489 20 30 DDEDMP CN1CC[C@@](O)(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000352935824 410689550 /nfs/dbraw/zinc/68/95/50/410689550.db2.gz JFFXMZYKBORIQI-CQSZACIVSA-N 2 1 313.323 1.733 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cc(Cl)cn1C ZINC000261943284 222262521 /nfs/dbraw/zinc/26/25/21/222262521.db2.gz FCIRXSUPOFUTOG-LBPRGKRZSA-N 2 1 311.861 1.637 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCNc1ccccn1 ZINC000264234417 222328650 /nfs/dbraw/zinc/32/86/50/222328650.db2.gz CVAKIYOFVOMYSP-HNNXBMFYSA-N 3 1 318.469 1.662 20 30 DDEDMP CCO[C@@H]1C[C@H](NC(N[C@@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)C12CCC2 ZINC000262350624 222277258 /nfs/dbraw/zinc/27/72/58/222277258.db2.gz FDGQUIGASALYGB-VNQPRFMTSA-N 2 1 320.481 1.736 20 30 DDEDMP CCO[C@@H]1C[C@H](NC(N[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C)C12CCC2 ZINC000262350624 222277260 /nfs/dbraw/zinc/27/72/60/222277260.db2.gz FDGQUIGASALYGB-VNQPRFMTSA-N 2 1 320.481 1.736 20 30 DDEDMP Cn1nccc1[C@H]1[C@H](CNC(=[NH2+])NC(C)(C)C)CCC[N@H+]1C ZINC000262682484 222290270 /nfs/dbraw/zinc/29/02/70/222290270.db2.gz WUTBBXPHTPTSOP-GXTWGEPZSA-N 2 1 306.458 1.506 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccc(F)c1F ZINC000267449786 222386197 /nfs/dbraw/zinc/38/61/97/222386197.db2.gz RDIYXYFGBGGXIO-ZDUSSCGKSA-N 2 1 310.392 1.896 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(C)c(OC)c1 ZINC000267465705 222387348 /nfs/dbraw/zinc/38/73/48/222387348.db2.gz WGJKXOPDXGSQQD-MRXNPFEDSA-N 2 1 318.465 1.935 20 30 DDEDMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N)C[C@@H](C)O1 ZINC000424144387 228235014 /nfs/dbraw/zinc/23/50/14/228235014.db2.gz XKIFCONSNDUZJV-MCIONIFRSA-N 2 1 310.442 1.012 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000564565289 421591258 /nfs/dbraw/zinc/59/12/58/421591258.db2.gz VLYRAFISALZCGE-INIZCTEOSA-N 2 1 308.397 1.805 20 30 DDEDMP Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000536594148 421722148 /nfs/dbraw/zinc/72/21/48/421722148.db2.gz OXZLBULZIXUTGQ-MRXNPFEDSA-N 2 1 323.400 1.397 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(CC)CCC#N ZINC000277045938 276059268 /nfs/dbraw/zinc/05/92/68/276059268.db2.gz CCACSJSBQJXOQB-UHFFFAOYSA-N 2 1 319.453 1.920 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(CC)CCC#N ZINC000277045938 276059269 /nfs/dbraw/zinc/05/92/69/276059269.db2.gz CCACSJSBQJXOQB-UHFFFAOYSA-N 2 1 319.453 1.920 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000303867543 277244414 /nfs/dbraw/zinc/24/44/14/277244414.db2.gz CYHXYDLXJNOETO-WBVHZDCISA-N 2 1 318.465 1.980 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)Cc1ccccc1 ZINC000264114741 279303444 /nfs/dbraw/zinc/30/34/44/279303444.db2.gz SBESXJLPMDEDAQ-QGZVFWFLSA-N 2 1 317.481 1.507 20 30 DDEDMP CCO[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000671241111 484979355 /nfs/dbraw/zinc/97/93/55/484979355.db2.gz SOZVDKYACAUZPB-ROUUACIJSA-N 2 1 308.466 1.992 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000424130685 534020985 /nfs/dbraw/zinc/02/09/85/534020985.db2.gz HNYNZFMFVFVNNH-GXTWGEPZSA-N 2 1 320.462 1.632 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1CCc2sccc2C1 ZINC000424130685 534020994 /nfs/dbraw/zinc/02/09/94/534020994.db2.gz HNYNZFMFVFVNNH-GXTWGEPZSA-N 2 1 320.462 1.632 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000350028886 526584163 /nfs/dbraw/zinc/58/41/63/526584163.db2.gz XLCOZTFRHDNGDX-QGZVFWFLSA-N 2 1 320.481 1.905 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980186781 696703814 /nfs/dbraw/zinc/70/38/14/696703814.db2.gz ORVMMWDANQPTSR-BZSNNMDCSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972168211 695168247 /nfs/dbraw/zinc/16/82/47/695168247.db2.gz LNVPFGUEHZTHSL-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972168211 695168248 /nfs/dbraw/zinc/16/82/48/695168248.db2.gz LNVPFGUEHZTHSL-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972168211 695168249 /nfs/dbraw/zinc/16/82/49/695168249.db2.gz LNVPFGUEHZTHSL-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972168211 695168250 /nfs/dbraw/zinc/16/82/50/695168250.db2.gz LNVPFGUEHZTHSL-JKSUJKDBSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992861 695390033 /nfs/dbraw/zinc/39/00/33/695390033.db2.gz VGOVRJWIWJJNTB-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992861 695390035 /nfs/dbraw/zinc/39/00/35/695390035.db2.gz VGOVRJWIWJJNTB-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992861 695390036 /nfs/dbraw/zinc/39/00/36/695390036.db2.gz VGOVRJWIWJJNTB-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992861 695390038 /nfs/dbraw/zinc/39/00/38/695390038.db2.gz VGOVRJWIWJJNTB-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724673 695718992 /nfs/dbraw/zinc/71/89/92/695718992.db2.gz NSHWGISYTXAIMG-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724673 695718994 /nfs/dbraw/zinc/71/89/94/695718994.db2.gz NSHWGISYTXAIMG-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724673 695718995 /nfs/dbraw/zinc/71/89/95/695718995.db2.gz NSHWGISYTXAIMG-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974724673 695718997 /nfs/dbraw/zinc/71/89/97/695718997.db2.gz NSHWGISYTXAIMG-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974755411 695727444 /nfs/dbraw/zinc/72/74/44/695727444.db2.gz AKMWMWCJSVPROG-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974755411 695727445 /nfs/dbraw/zinc/72/74/45/695727445.db2.gz AKMWMWCJSVPROG-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974755411 695727447 /nfs/dbraw/zinc/72/74/47/695727447.db2.gz AKMWMWCJSVPROG-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974755411 695727450 /nfs/dbraw/zinc/72/74/50/695727450.db2.gz AKMWMWCJSVPROG-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000977595779 696227666 /nfs/dbraw/zinc/22/76/66/696227666.db2.gz PPIGVGPXTONEOQ-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000977595779 696227669 /nfs/dbraw/zinc/22/76/69/696227669.db2.gz PPIGVGPXTONEOQ-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978417455 696379328 /nfs/dbraw/zinc/37/93/28/696379328.db2.gz RUFVVDJEFPROEL-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978417455 696379331 /nfs/dbraw/zinc/37/93/31/696379331.db2.gz RUFVVDJEFPROEL-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978417455 696379334 /nfs/dbraw/zinc/37/93/34/696379334.db2.gz RUFVVDJEFPROEL-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP CC[NH+]=C(NCc1c(C)noc1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083097179 696550464 /nfs/dbraw/zinc/55/04/64/696550464.db2.gz RRXQNADVDCEWOM-ZDUSSCGKSA-N 2 1 305.426 1.583 20 30 DDEDMP CC[NH+]=C(NCc1c(C)noc1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083097179 696550465 /nfs/dbraw/zinc/55/04/65/696550465.db2.gz RRXQNADVDCEWOM-ZDUSSCGKSA-N 2 1 305.426 1.583 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138465 696690166 /nfs/dbraw/zinc/69/01/66/696690166.db2.gz CXXCVIGOPAFUDM-ULQDDVLXSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138465 696690165 /nfs/dbraw/zinc/69/01/65/696690165.db2.gz CXXCVIGOPAFUDM-ULQDDVLXSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981930081 696973254 /nfs/dbraw/zinc/97/32/54/696973254.db2.gz HZPRBVAMLOMLPS-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197793 697031577 /nfs/dbraw/zinc/03/15/77/697031577.db2.gz PCZWPWVJXLHWHN-MRXNPFEDSA-N 2 1 316.449 1.954 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000981197793 697031580 /nfs/dbraw/zinc/03/15/80/697031580.db2.gz PCZWPWVJXLHWHN-MRXNPFEDSA-N 2 1 316.449 1.954 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982235426 697068995 /nfs/dbraw/zinc/06/89/95/697068995.db2.gz QGKQHUAAYZFBHI-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235426 697068996 /nfs/dbraw/zinc/06/89/96/697068996.db2.gz QGKQHUAAYZFBHI-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235426 697068998 /nfs/dbraw/zinc/06/89/98/697068998.db2.gz QGKQHUAAYZFBHI-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982281913 697082696 /nfs/dbraw/zinc/08/26/96/697082696.db2.gz CWAJNWXTHRESJS-RWQQGDIJSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982281913 697082697 /nfs/dbraw/zinc/08/26/97/697082697.db2.gz CWAJNWXTHRESJS-RWQQGDIJSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982281913 697082699 /nfs/dbraw/zinc/08/26/99/697082699.db2.gz CWAJNWXTHRESJS-RWQQGDIJSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981510687 697115049 /nfs/dbraw/zinc/11/50/49/697115049.db2.gz XSWDUYPGKPDREQ-UHFFFAOYSA-N 2 1 310.401 1.814 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000981510687 697115051 /nfs/dbraw/zinc/11/50/51/697115051.db2.gz XSWDUYPGKPDREQ-UHFFFAOYSA-N 2 1 310.401 1.814 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553786 697149380 /nfs/dbraw/zinc/14/93/80/697149380.db2.gz QHPHDMZZHIMSIE-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553786 697149381 /nfs/dbraw/zinc/14/93/81/697149381.db2.gz QHPHDMZZHIMSIE-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982553786 697149382 /nfs/dbraw/zinc/14/93/82/697149382.db2.gz QHPHDMZZHIMSIE-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@]2(C)C1 ZINC000982560865 697150642 /nfs/dbraw/zinc/15/06/42/697150642.db2.gz OPSKOQGACCZGGO-RYQLBKOJSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982806272 697180860 /nfs/dbraw/zinc/18/08/60/697180860.db2.gz ZMBIAGJDZMWLLI-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982806272 697180861 /nfs/dbraw/zinc/18/08/61/697180861.db2.gz ZMBIAGJDZMWLLI-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982806272 697180862 /nfs/dbraw/zinc/18/08/62/697180862.db2.gz ZMBIAGJDZMWLLI-RYQLBKOJSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983047684 697205387 /nfs/dbraw/zinc/20/53/87/697205387.db2.gz QUMASUVFTBTWDI-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985751478 697567988 /nfs/dbraw/zinc/56/79/88/697567988.db2.gz MKBNYZIWRHZRJN-WBVHZDCISA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000985789002 697573576 /nfs/dbraw/zinc/57/35/76/697573576.db2.gz GFSIPECILVBBPK-OAHLLOKOSA-N 2 1 309.454 1.064 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCC[C@H]1C ZINC000303770220 698605853 /nfs/dbraw/zinc/60/58/53/698605853.db2.gz BQZGDSGZSWHUSG-CVEARBPZSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCCC[C@H]1C ZINC000303770220 698605856 /nfs/dbraw/zinc/60/58/56/698605856.db2.gz BQZGDSGZSWHUSG-CVEARBPZSA-N 3 1 309.502 1.640 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCCC[C@H]1C ZINC000303770220 698605859 /nfs/dbraw/zinc/60/58/59/698605859.db2.gz BQZGDSGZSWHUSG-CVEARBPZSA-N 3 1 309.502 1.640 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989513037 698652462 /nfs/dbraw/zinc/65/24/62/698652462.db2.gz BYEBFZNWNFFGJL-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766365718 701048167 /nfs/dbraw/zinc/04/81/67/701048167.db2.gz OBGXUECDGXZPJG-KRWDZBQOSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000766365718 701048168 /nfs/dbraw/zinc/04/81/68/701048168.db2.gz OBGXUECDGXZPJG-KRWDZBQOSA-N 2 1 303.450 1.561 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000843061301 702810760 /nfs/dbraw/zinc/81/07/60/702810760.db2.gz DTKOYQPQNRMSCX-KRWDZBQOSA-N 2 1 303.406 1.028 20 30 DDEDMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660553 706755921 /nfs/dbraw/zinc/75/59/21/706755921.db2.gz JYWUBTAOPJZMSS-MRXNPFEDSA-N 2 1 313.401 1.848 20 30 DDEDMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000866660553 706755925 /nfs/dbraw/zinc/75/59/25/706755925.db2.gz JYWUBTAOPJZMSS-MRXNPFEDSA-N 2 1 313.401 1.848 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000876755241 705858930 /nfs/dbraw/zinc/85/89/30/705858930.db2.gz UDRXZYHZESJYID-WMZOPIPTSA-N 2 1 324.428 1.346 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000876755241 705858932 /nfs/dbraw/zinc/85/89/32/705858932.db2.gz UDRXZYHZESJYID-WMZOPIPTSA-N 2 1 324.428 1.346 20 30 DDEDMP C=CCN1CC[C@H](O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1=O ZINC000871784529 707204504 /nfs/dbraw/zinc/20/45/04/707204504.db2.gz HCQQVFSKOMFQJS-GSPSYOTPSA-N 2 1 306.410 1.145 20 30 DDEDMP C=CCN1CC[C@H](O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1=O ZINC000871784529 707204508 /nfs/dbraw/zinc/20/45/08/707204508.db2.gz HCQQVFSKOMFQJS-GSPSYOTPSA-N 2 1 306.410 1.145 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000914337887 713380947 /nfs/dbraw/zinc/38/09/47/713380947.db2.gz QOKFZIDUJTWZPM-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943289906 718068724 /nfs/dbraw/zinc/06/87/24/718068724.db2.gz SRMDJYKHLFZCSQ-LSDHHAIUSA-N 2 1 302.422 1.466 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943289906 718068727 /nfs/dbraw/zinc/06/87/27/718068727.db2.gz SRMDJYKHLFZCSQ-LSDHHAIUSA-N 2 1 302.422 1.466 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000957527796 715941959 /nfs/dbraw/zinc/94/19/59/715941959.db2.gz YWFFQZICIWXGFV-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000957527796 715941963 /nfs/dbraw/zinc/94/19/63/715941963.db2.gz YWFFQZICIWXGFV-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960262948 716471924 /nfs/dbraw/zinc/47/19/24/716471924.db2.gz AIVQHYKUVTVLJA-KNCOVGOOSA-N 2 1 300.406 1.383 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960262948 716471925 /nfs/dbraw/zinc/47/19/25/716471925.db2.gz AIVQHYKUVTVLJA-KNCOVGOOSA-N 2 1 300.406 1.383 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000961343744 716917513 /nfs/dbraw/zinc/91/75/13/716917513.db2.gz SHCQEJDZGDAVQC-HZMVEIRTSA-N 2 1 303.450 1.483 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941238452 717136631 /nfs/dbraw/zinc/13/66/31/717136631.db2.gz WOYCAOOILIHYQT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941238452 717136632 /nfs/dbraw/zinc/13/66/32/717136632.db2.gz WOYCAOOILIHYQT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941238452 717136633 /nfs/dbraw/zinc/13/66/33/717136633.db2.gz WOYCAOOILIHYQT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962125565 717314337 /nfs/dbraw/zinc/31/43/37/717314337.db2.gz ZPXZYLGYIRBWRE-FOLVSLTJSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)CC1 ZINC000962125565 717314340 /nfs/dbraw/zinc/31/43/40/717314340.db2.gz ZPXZYLGYIRBWRE-FOLVSLTJSA-N 2 1 311.857 1.517 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000962731829 717569215 /nfs/dbraw/zinc/56/92/15/717569215.db2.gz YONGIUCXDCCWEX-PIIMJCKOSA-N 2 1 313.445 1.984 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942555979 717742586 /nfs/dbraw/zinc/74/25/86/717742586.db2.gz SPCXAXOYJWWEKK-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963391115 717773051 /nfs/dbraw/zinc/77/30/51/717773051.db2.gz QQEVSGHRXHXFNE-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943876270 718213226 /nfs/dbraw/zinc/21/32/26/718213226.db2.gz HRUJHNQYLOYSAD-DOTOQJQBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000945177733 718414747 /nfs/dbraw/zinc/41/47/47/718414747.db2.gz CDBDXDUQFZTUIG-DOTOQJQBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH]cn3)CC[C@@H]2C1 ZINC000946859101 718928877 /nfs/dbraw/zinc/92/88/77/718928877.db2.gz KKWIZFZWDMEDFN-GASCZTMLSA-N 2 1 314.433 1.491 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)CC[C@@H]2C1 ZINC000946859202 718928934 /nfs/dbraw/zinc/92/89/34/718928934.db2.gz NRADMVBDMZULPO-IYBDPMFKSA-N 2 1 316.449 1.709 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946895379 718938334 /nfs/dbraw/zinc/93/83/34/718938334.db2.gz WKNWBSUNAKHHLJ-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947852014 719290213 /nfs/dbraw/zinc/29/02/13/719290213.db2.gz DNKZSLIQGYEZNS-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052316 719404135 /nfs/dbraw/zinc/40/41/35/719404135.db2.gz AHQHDCMPWOQBOY-ZBFHGGJFSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC000968052316 719404139 /nfs/dbraw/zinc/40/41/39/719404139.db2.gz AHQHDCMPWOQBOY-ZBFHGGJFSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC#C)CC1 ZINC000948449504 719505579 /nfs/dbraw/zinc/50/55/79/719505579.db2.gz SJMDEQDHDZSLPQ-SJORKVTESA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC#C)CC1 ZINC000948449504 719505580 /nfs/dbraw/zinc/50/55/80/719505580.db2.gz SJMDEQDHDZSLPQ-SJORKVTESA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC#C)CC1 ZINC000948449504 719505581 /nfs/dbraw/zinc/50/55/81/719505581.db2.gz SJMDEQDHDZSLPQ-SJORKVTESA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC#C)CC1 ZINC000948449504 719505582 /nfs/dbraw/zinc/50/55/82/719505582.db2.gz SJMDEQDHDZSLPQ-SJORKVTESA-N 2 1 301.434 1.030 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968330517 719510713 /nfs/dbraw/zinc/51/07/13/719510713.db2.gz ABZSOUBXOZXOGW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000968330517 719510715 /nfs/dbraw/zinc/51/07/15/719510715.db2.gz ABZSOUBXOZXOGW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000968330517 719510718 /nfs/dbraw/zinc/51/07/18/719510718.db2.gz ABZSOUBXOZXOGW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000948832919 719736102 /nfs/dbraw/zinc/73/61/02/719736102.db2.gz DTFPNVHJNQSDOH-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968858686 719827652 /nfs/dbraw/zinc/82/76/52/719827652.db2.gz ITRLIDQXJMOEBD-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968906768 719858608 /nfs/dbraw/zinc/85/86/08/719858608.db2.gz GKVXYUZUWASEON-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968906768 719858615 /nfs/dbraw/zinc/85/86/15/719858615.db2.gz GKVXYUZUWASEON-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968906768 719858622 /nfs/dbraw/zinc/85/86/22/719858622.db2.gz GKVXYUZUWASEON-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968906768 719858632 /nfs/dbraw/zinc/85/86/32/719858632.db2.gz GKVXYUZUWASEON-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000949470861 720109936 /nfs/dbraw/zinc/10/99/36/720109936.db2.gz MQFVXELSJWZLQX-JKSUJKDBSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000949470861 720109939 /nfs/dbraw/zinc/10/99/39/720109939.db2.gz MQFVXELSJWZLQX-JKSUJKDBSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949470861 720109942 /nfs/dbraw/zinc/10/99/42/720109942.db2.gz MQFVXELSJWZLQX-JKSUJKDBSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC2)C1 ZINC000949470861 720109945 /nfs/dbraw/zinc/10/99/45/720109945.db2.gz MQFVXELSJWZLQX-JKSUJKDBSA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970027528 720604001 /nfs/dbraw/zinc/60/40/01/720604001.db2.gz NZXHNBAMZBENFZ-DOTOQJQBSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH+]1CCN(c2cccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001165032105 721869739 /nfs/dbraw/zinc/86/97/39/721869739.db2.gz HTNFOKLKIIAKDT-UHFFFAOYSA-N 2 1 301.438 1.317 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588204 735326812 /nfs/dbraw/zinc/32/68/12/735326812.db2.gz STTSTMCUYQFPCA-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588204 735326816 /nfs/dbraw/zinc/32/68/16/735326816.db2.gz STTSTMCUYQFPCA-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602392 738453823 /nfs/dbraw/zinc/45/38/23/738453823.db2.gz SEUHCANGSSNQSB-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021635376 733390090 /nfs/dbraw/zinc/39/00/90/733390090.db2.gz KBCLRISUAMNAJO-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635376 733390095 /nfs/dbraw/zinc/39/00/95/733390095.db2.gz KBCLRISUAMNAJO-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635376 733390099 /nfs/dbraw/zinc/39/00/99/733390099.db2.gz KBCLRISUAMNAJO-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001022437338 734535758 /nfs/dbraw/zinc/53/57/58/734535758.db2.gz HQMXXMUHYRIJIF-CALCHBBNSA-N 2 1 323.400 1.500 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001098572681 734905820 /nfs/dbraw/zinc/90/58/20/734905820.db2.gz VUUVVFZXVXBHIF-UHFFFAOYSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023450538 735242968 /nfs/dbraw/zinc/24/29/68/735242968.db2.gz HBQFUHUOXWZQBD-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023450538 735242971 /nfs/dbraw/zinc/24/29/71/735242971.db2.gz HBQFUHUOXWZQBD-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023450538 735242973 /nfs/dbraw/zinc/24/29/73/735242973.db2.gz HBQFUHUOXWZQBD-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450538 735242975 /nfs/dbraw/zinc/24/29/75/735242975.db2.gz HBQFUHUOXWZQBD-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023450538 735242977 /nfs/dbraw/zinc/24/29/77/735242977.db2.gz HBQFUHUOXWZQBD-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457633 735248127 /nfs/dbraw/zinc/24/81/27/735248127.db2.gz VQRAVGPYTJQEPF-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3cncn3C)C(C)(C)[C@H]21 ZINC001087312213 736042065 /nfs/dbraw/zinc/04/20/65/736042065.db2.gz AWIGGGWZSYOTFU-PVAVHDDUSA-N 2 1 314.433 1.201 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001024739082 736056838 /nfs/dbraw/zinc/05/68/38/736056838.db2.gz XOEUOWYXZLDMEC-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317856 736078696 /nfs/dbraw/zinc/07/86/96/736078696.db2.gz NXTVUZVEQSASBJ-OIISXLGYSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024807182 736103952 /nfs/dbraw/zinc/10/39/52/736103952.db2.gz ANBDTIPPEFTUOY-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024807182 736103954 /nfs/dbraw/zinc/10/39/54/736103954.db2.gz ANBDTIPPEFTUOY-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807182 736103955 /nfs/dbraw/zinc/10/39/55/736103955.db2.gz ANBDTIPPEFTUOY-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807182 736103957 /nfs/dbraw/zinc/10/39/57/736103957.db2.gz ANBDTIPPEFTUOY-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001017950336 736335349 /nfs/dbraw/zinc/33/53/49/736335349.db2.gz RVSRSVROIHHAKH-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001017950336 736335354 /nfs/dbraw/zinc/33/53/54/736335354.db2.gz RVSRSVROIHHAKH-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001017950336 736335360 /nfs/dbraw/zinc/33/53/60/736335360.db2.gz RVSRSVROIHHAKH-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007490762 736361381 /nfs/dbraw/zinc/36/13/81/736361381.db2.gz FJOVLNSFYRTPNF-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001007490762 736361385 /nfs/dbraw/zinc/36/13/85/736361385.db2.gz FJOVLNSFYRTPNF-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025470285 736707762 /nfs/dbraw/zinc/70/77/62/736707762.db2.gz VSPJFHQSIAMXFA-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001025630973 736797319 /nfs/dbraw/zinc/79/73/19/736797319.db2.gz XSJBAVLMZFGFQO-SJLPKXTDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001026506643 737623391 /nfs/dbraw/zinc/62/33/91/737623391.db2.gz DLBNQVHGFURBDL-JCYILVPMSA-N 2 1 305.466 1.900 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@H+](C)CC2CC2)C1 ZINC001027446882 738301756 /nfs/dbraw/zinc/30/17/56/738301756.db2.gz WFTNFTQFJIIWLZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001027446882 738301759 /nfs/dbraw/zinc/30/17/59/738301759.db2.gz WFTNFTQFJIIWLZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC2)C1 ZINC001027446882 738301761 /nfs/dbraw/zinc/30/17/61/738301761.db2.gz WFTNFTQFJIIWLZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC2CC2)C1 ZINC001027446882 738301764 /nfs/dbraw/zinc/30/17/64/738301764.db2.gz WFTNFTQFJIIWLZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027471903 738325648 /nfs/dbraw/zinc/32/56/48/738325648.db2.gz WRXTXDDALBWMOJ-GJZGRUSLSA-N 2 1 314.433 1.379 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001027546043 738391695 /nfs/dbraw/zinc/39/16/95/738391695.db2.gz IEWKDUVUTMWBOX-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027546043 738391697 /nfs/dbraw/zinc/39/16/97/738391697.db2.gz IEWKDUVUTMWBOX-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027546043 738391701 /nfs/dbraw/zinc/39/17/01/738391701.db2.gz IEWKDUVUTMWBOX-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546043 738391703 /nfs/dbraw/zinc/39/17/03/738391703.db2.gz IEWKDUVUTMWBOX-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546043 738391706 /nfs/dbraw/zinc/39/17/06/738391706.db2.gz IEWKDUVUTMWBOX-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 ZINC001027979616 738900859 /nfs/dbraw/zinc/90/08/59/738900859.db2.gz FNPYEFGYSBMUQI-GJZGRUSLSA-N 2 1 316.449 1.980 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998014960 751469189 /nfs/dbraw/zinc/46/91/89/751469189.db2.gz AVOLCNRLYBAANC-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998014960 751469192 /nfs/dbraw/zinc/46/91/92/751469192.db2.gz AVOLCNRLYBAANC-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998014960 751469193 /nfs/dbraw/zinc/46/91/93/751469193.db2.gz AVOLCNRLYBAANC-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001028766129 740011549 /nfs/dbraw/zinc/01/15/49/740011549.db2.gz MVECIISEMPRVMF-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766129 740011553 /nfs/dbraw/zinc/01/15/53/740011553.db2.gz MVECIISEMPRVMF-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766129 740011555 /nfs/dbraw/zinc/01/15/55/740011555.db2.gz MVECIISEMPRVMF-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799994 740057529 /nfs/dbraw/zinc/05/75/29/740057529.db2.gz MKZVLGYWOMAJKW-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028799994 740057533 /nfs/dbraw/zinc/05/75/33/740057533.db2.gz MKZVLGYWOMAJKW-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028935205 740187669 /nfs/dbraw/zinc/18/76/69/740187669.db2.gz XTFXIJAUMYYTDA-AWEZNQCLSA-N 2 1 300.406 1.223 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028935205 740187673 /nfs/dbraw/zinc/18/76/73/740187673.db2.gz XTFXIJAUMYYTDA-AWEZNQCLSA-N 2 1 300.406 1.223 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798650 740551221 /nfs/dbraw/zinc/55/12/21/740551221.db2.gz JKAZAAODOZAXEL-OKZBNKHCSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001088329641 741393450 /nfs/dbraw/zinc/39/34/50/741393450.db2.gz CTNYSGGOTULIEA-RBSFLKMASA-N 2 1 300.406 1.507 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001088329727 741394153 /nfs/dbraw/zinc/39/41/53/741394153.db2.gz FXVNQWSUVNCMPT-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H]1C ZINC001088619305 741998345 /nfs/dbraw/zinc/99/83/45/741998345.db2.gz HFEZDUTUUJHCJK-HYVNUMGLSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H]1C ZINC001088619305 741998348 /nfs/dbraw/zinc/99/83/48/741998348.db2.gz HFEZDUTUUJHCJK-HYVNUMGLSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H]1C ZINC001088619305 741998352 /nfs/dbraw/zinc/99/83/52/741998352.db2.gz HFEZDUTUUJHCJK-HYVNUMGLSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088824208 742464081 /nfs/dbraw/zinc/46/40/81/742464081.db2.gz UQZNCWUVQFCMJR-UNEWFSDZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088824208 742464084 /nfs/dbraw/zinc/46/40/84/742464084.db2.gz UQZNCWUVQFCMJR-UNEWFSDZSA-N 2 1 314.433 1.356 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076247080 742619450 /nfs/dbraw/zinc/61/94/50/742619450.db2.gz XWFDNQDDYCZFHL-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076247080 742619455 /nfs/dbraw/zinc/61/94/55/742619455.db2.gz XWFDNQDDYCZFHL-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001076247080 742619458 /nfs/dbraw/zinc/61/94/58/742619458.db2.gz XWFDNQDDYCZFHL-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035708809 751795048 /nfs/dbraw/zinc/79/50/48/751795048.db2.gz ZZPKZPUZCKSKLY-INIZCTEOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077131451 743262576 /nfs/dbraw/zinc/26/25/76/743262576.db2.gz BGMVVPCDTXQGLM-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001077131451 743262580 /nfs/dbraw/zinc/26/25/80/743262580.db2.gz BGMVVPCDTXQGLM-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001077131451 743262586 /nfs/dbraw/zinc/26/25/86/743262586.db2.gz BGMVVPCDTXQGLM-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001077131451 743262587 /nfs/dbraw/zinc/26/25/87/743262587.db2.gz BGMVVPCDTXQGLM-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001040392518 743484935 /nfs/dbraw/zinc/48/49/35/743484935.db2.gz UNIJPYHYVDQFSL-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040392518 743484939 /nfs/dbraw/zinc/48/49/39/743484939.db2.gz UNIJPYHYVDQFSL-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001040392518 743484943 /nfs/dbraw/zinc/48/49/43/743484943.db2.gz UNIJPYHYVDQFSL-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001182590684 743672251 /nfs/dbraw/zinc/67/22/51/743672251.db2.gz RUTUJXINCWXUII-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001184711888 744085611 /nfs/dbraw/zinc/08/56/11/744085611.db2.gz HSDXIOKQGYGKHF-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001035772472 751889112 /nfs/dbraw/zinc/88/91/12/751889112.db2.gz CMRSGPRMGLJTEQ-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001185168909 744169855 /nfs/dbraw/zinc/16/98/55/744169855.db2.gz KHZCUMQVEOJAOS-HOTGVXAUSA-N 2 1 307.482 1.672 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185683601 744266504 /nfs/dbraw/zinc/26/65/04/744266504.db2.gz YHDWVMLLNUTLSP-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC12CCOCC2 ZINC001186560939 744414053 /nfs/dbraw/zinc/41/40/53/744414053.db2.gz LPFOLWLUWQZZOL-MRXNPFEDSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001015000446 744563534 /nfs/dbraw/zinc/56/35/34/744563534.db2.gz PSIYJHUAZSIAOB-HUUCEWRRSA-N 2 1 302.422 1.602 20 30 DDEDMP C=C(Cl)CN1CC[C@@]2(NC(=O)CN3CCCC3)CCC[C@H]12 ZINC000992488242 744914059 /nfs/dbraw/zinc/91/40/59/744914059.db2.gz NEOQLASQRBJWAP-HOCLYGCPSA-N 2 1 311.857 1.948 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](C(C)C)CC3)CC1 ZINC000992514413 744931629 /nfs/dbraw/zinc/93/16/29/744931629.db2.gz XPQXJVCAOCZWDL-PKOBYXMFSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001190176643 745141117 /nfs/dbraw/zinc/14/11/17/745141117.db2.gz NXSXPYQAKFOLNS-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190726355 745308714 /nfs/dbraw/zinc/30/87/14/745308714.db2.gz YVGCRDZEEQWFBH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC=C(C)C)C1 ZINC001190726355 745308718 /nfs/dbraw/zinc/30/87/18/745308718.db2.gz YVGCRDZEEQWFBH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190726355 745308719 /nfs/dbraw/zinc/30/87/19/745308719.db2.gz YVGCRDZEEQWFBH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1 ZINC001190726355 745308725 /nfs/dbraw/zinc/30/87/25/745308725.db2.gz YVGCRDZEEQWFBH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC=C(C)C)C1 ZINC001190726355 745308728 /nfs/dbraw/zinc/30/87/28/745308728.db2.gz YVGCRDZEEQWFBH-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211096 745395323 /nfs/dbraw/zinc/39/53/23/745395323.db2.gz QLNBURKDXURYDP-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191081718 745419499 /nfs/dbraw/zinc/41/94/99/745419499.db2.gz SBZDGCQASDBLEQ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191081718 745419502 /nfs/dbraw/zinc/41/95/02/745419502.db2.gz SBZDGCQASDBLEQ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191081718 745419506 /nfs/dbraw/zinc/41/95/06/745419506.db2.gz SBZDGCQASDBLEQ-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249534 745461454 /nfs/dbraw/zinc/46/14/54/745461454.db2.gz JSIBTOYLKKYLNT-NUJGCVRESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383200 745488895 /nfs/dbraw/zinc/48/88/95/745488895.db2.gz RBMCTRKIAQOKEC-OAHLLOKOSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383200 745488896 /nfs/dbraw/zinc/48/88/96/745488896.db2.gz RBMCTRKIAQOKEC-OAHLLOKOSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357570 745625555 /nfs/dbraw/zinc/62/55/55/745625555.db2.gz FCZZXCSJMAFVQM-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247458 761888018 /nfs/dbraw/zinc/88/80/18/761888018.db2.gz WFKRPGMIFNEAHX-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577301 745806946 /nfs/dbraw/zinc/80/69/46/745806946.db2.gz GSMGHJBGCHCZOC-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577301 745806956 /nfs/dbraw/zinc/80/69/56/745806956.db2.gz GSMGHJBGCHCZOC-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001152137317 746452701 /nfs/dbraw/zinc/45/27/01/746452701.db2.gz LFKDSCSANXOBIF-CALCHBBNSA-N 2 1 313.445 1.617 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC=C)[C@H]2C)CC1 ZINC000994496493 746692882 /nfs/dbraw/zinc/69/28/82/746692882.db2.gz HKTVPIYFTWSFKJ-DOTOQJQBSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389366 746774140 /nfs/dbraw/zinc/77/41/40/746774140.db2.gz PSECIALFCPEZKO-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389366 746774145 /nfs/dbraw/zinc/77/41/45/746774145.db2.gz PSECIALFCPEZKO-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389366 746774149 /nfs/dbraw/zinc/77/41/49/746774149.db2.gz PSECIALFCPEZKO-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001197017414 747028992 /nfs/dbraw/zinc/02/89/92/747028992.db2.gz GHKOSSZLNCWURY-OAGGEKHMSA-N 2 1 311.470 1.090 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089488807 747071123 /nfs/dbraw/zinc/07/11/23/747071123.db2.gz YFRBOQOJOXLNIX-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089488807 747071130 /nfs/dbraw/zinc/07/11/30/747071130.db2.gz YFRBOQOJOXLNIX-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089488807 747071138 /nfs/dbraw/zinc/07/11/38/747071138.db2.gz YFRBOQOJOXLNIX-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197187555 747081063 /nfs/dbraw/zinc/08/10/63/747081063.db2.gz IUDMPKOWDFKBNG-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)CC(C)(C)C1 ZINC001089528341 747159379 /nfs/dbraw/zinc/15/93/79/747159379.db2.gz JDHNCRPWVIGFKF-AWEZNQCLSA-N 2 1 302.422 1.582 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001003851831 747617592 /nfs/dbraw/zinc/61/75/92/747617592.db2.gz FRKFFFTYCMTMRM-UHFFFAOYSA-N 2 1 323.400 1.485 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccccc2C#N)CC[N@H+]1C ZINC001127690263 748190419 /nfs/dbraw/zinc/19/04/19/748190419.db2.gz JQHMZVIEGBZQRZ-CZUORRHYSA-N 2 1 300.406 1.104 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C/C=C/Cl)CC1 ZINC001201093619 748408291 /nfs/dbraw/zinc/40/82/91/748408291.db2.gz GHROEQOTJBJAKF-LWUPOJRFSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C/C=C/Cl)CC1 ZINC001201093619 748408295 /nfs/dbraw/zinc/40/82/95/748408295.db2.gz GHROEQOTJBJAKF-LWUPOJRFSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004548099 748539960 /nfs/dbraw/zinc/53/99/60/748539960.db2.gz PVQSQENWUDSDFN-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004548099 748539965 /nfs/dbraw/zinc/53/99/65/748539965.db2.gz PVQSQENWUDSDFN-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151587 748626667 /nfs/dbraw/zinc/62/66/67/748626667.db2.gz KGNFRIZIKLRYFF-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151587 748626671 /nfs/dbraw/zinc/62/66/71/748626671.db2.gz KGNFRIZIKLRYFF-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033151587 748626674 /nfs/dbraw/zinc/62/66/74/748626674.db2.gz KGNFRIZIKLRYFF-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033151587 748626678 /nfs/dbraw/zinc/62/66/78/748626678.db2.gz KGNFRIZIKLRYFF-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033223532 748980478 /nfs/dbraw/zinc/98/04/78/748980478.db2.gz RLOXXQHRMSYFGT-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223532 748980479 /nfs/dbraw/zinc/98/04/79/748980479.db2.gz RLOXXQHRMSYFGT-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033223532 748980485 /nfs/dbraw/zinc/98/04/85/748980485.db2.gz RLOXXQHRMSYFGT-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353706 749226568 /nfs/dbraw/zinc/22/65/68/749226568.db2.gz JXBIZASPOINWMN-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033353706 749226572 /nfs/dbraw/zinc/22/65/72/749226572.db2.gz JXBIZASPOINWMN-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033353706 749226576 /nfs/dbraw/zinc/22/65/76/749226576.db2.gz JXBIZASPOINWMN-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(Cl)CN[C@@H]1CN(C(=O)CCc2nccn2C)CC1(C)C ZINC000996071842 749358670 /nfs/dbraw/zinc/35/86/70/749358670.db2.gz FDVJXPBRJJJYIY-CYBMUJFWSA-N 2 1 324.856 1.932 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095529596 750013148 /nfs/dbraw/zinc/01/31/48/750013148.db2.gz XVBMVTBWPZYYDO-NCOADZHNSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095529596 750013152 /nfs/dbraw/zinc/01/31/52/750013152.db2.gz XVBMVTBWPZYYDO-NCOADZHNSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095529596 750013158 /nfs/dbraw/zinc/01/31/58/750013158.db2.gz XVBMVTBWPZYYDO-NCOADZHNSA-N 2 1 303.450 1.319 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095529596 750013164 /nfs/dbraw/zinc/01/31/64/750013164.db2.gz XVBMVTBWPZYYDO-NCOADZHNSA-N 2 1 303.450 1.319 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127785239 750057621 /nfs/dbraw/zinc/05/76/21/750057621.db2.gz HPQGOKBIQVTRHD-HZPDHXFCSA-N 2 1 311.470 1.526 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC=C)C2)CC1 ZINC001034538268 750540984 /nfs/dbraw/zinc/54/09/84/750540984.db2.gz KJSLAVRERRJQRQ-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001034653580 750632901 /nfs/dbraw/zinc/63/29/01/750632901.db2.gz NMPMUFVGKGKORE-KLHDSHLOSA-N 2 1 307.438 1.053 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111416371 750644901 /nfs/dbraw/zinc/64/49/01/750644901.db2.gz NWFSDPXQANNUGV-KURKYZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107942491 750752623 /nfs/dbraw/zinc/75/26/23/750752623.db2.gz UBGNQKPBAROKCQ-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942491 750752625 /nfs/dbraw/zinc/75/26/25/750752625.db2.gz UBGNQKPBAROKCQ-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107942491 750752629 /nfs/dbraw/zinc/75/26/29/750752629.db2.gz UBGNQKPBAROKCQ-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107942491 750752630 /nfs/dbraw/zinc/75/26/30/750752630.db2.gz UBGNQKPBAROKCQ-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CN1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954017 750865471 /nfs/dbraw/zinc/86/54/71/750865471.db2.gz DNETVTZULVYAEA-INMHGKMJSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001107954017 750865480 /nfs/dbraw/zinc/86/54/80/750865480.db2.gz DNETVTZULVYAEA-INMHGKMJSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001107954017 750865488 /nfs/dbraw/zinc/86/54/88/750865488.db2.gz DNETVTZULVYAEA-INMHGKMJSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954017 750865497 /nfs/dbraw/zinc/86/54/97/750865497.db2.gz DNETVTZULVYAEA-INMHGKMJSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001107954017 750865506 /nfs/dbraw/zinc/86/55/06/750865506.db2.gz DNETVTZULVYAEA-INMHGKMJSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C1CC1)[NH+](C)C)CC2 ZINC001035193564 751293250 /nfs/dbraw/zinc/29/32/50/751293250.db2.gz GPYIURGUJVNJPL-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001000705757 762113744 /nfs/dbraw/zinc/11/37/44/762113744.db2.gz QZKULDWNHQBPAX-DLBZAZTESA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000705757 762113748 /nfs/dbraw/zinc/11/37/48/762113748.db2.gz QZKULDWNHQBPAX-DLBZAZTESA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000705757 762113752 /nfs/dbraw/zinc/11/37/52/762113752.db2.gz QZKULDWNHQBPAX-DLBZAZTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620976 752541855 /nfs/dbraw/zinc/54/18/55/752541855.db2.gz GQAWDXRALZFQOS-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001038620976 752541860 /nfs/dbraw/zinc/54/18/60/752541860.db2.gz GQAWDXRALZFQOS-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001038620976 752541865 /nfs/dbraw/zinc/54/18/65/752541865.db2.gz GQAWDXRALZFQOS-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001038620976 752541868 /nfs/dbraw/zinc/54/18/68/752541868.db2.gz GQAWDXRALZFQOS-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001005986101 753461902 /nfs/dbraw/zinc/46/19/02/753461902.db2.gz JAYZVUWVWICPCZ-OAHLLOKOSA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169162486 762270926 /nfs/dbraw/zinc/27/09/26/762270926.db2.gz TZSACYDULXGIEC-CAOSSQGBSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169162486 762270928 /nfs/dbraw/zinc/27/09/28/762270928.db2.gz TZSACYDULXGIEC-CAOSSQGBSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169162486 762270932 /nfs/dbraw/zinc/27/09/32/762270932.db2.gz TZSACYDULXGIEC-CAOSSQGBSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169162486 762270938 /nfs/dbraw/zinc/27/09/38/762270938.db2.gz TZSACYDULXGIEC-CAOSSQGBSA-N 2 1 307.438 1.988 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001924623 754582559 /nfs/dbraw/zinc/58/25/59/754582559.db2.gz LYEVKIABVNUDJE-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001040138898 762405677 /nfs/dbraw/zinc/40/56/77/762405677.db2.gz WGIXPDOYMAROOS-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001040138898 762405678 /nfs/dbraw/zinc/40/56/78/762405678.db2.gz WGIXPDOYMAROOS-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040138898 762405679 /nfs/dbraw/zinc/40/56/79/762405679.db2.gz WGIXPDOYMAROOS-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001040138898 762405680 /nfs/dbraw/zinc/40/56/80/762405680.db2.gz WGIXPDOYMAROOS-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040208071 762439187 /nfs/dbraw/zinc/43/91/87/762439187.db2.gz IOMPBGQQXYGGAJ-HKUYNNGSSA-N 2 1 315.461 1.276 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081894053 756543137 /nfs/dbraw/zinc/54/31/37/756543137.db2.gz JKMMAYGJYJGMID-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081894053 756543139 /nfs/dbraw/zinc/54/31/39/756543139.db2.gz JKMMAYGJYJGMID-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001016828916 757388983 /nfs/dbraw/zinc/38/89/83/757388983.db2.gz JQTMWQNSWMLFNA-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084347304 757505971 /nfs/dbraw/zinc/50/59/71/757505971.db2.gz MQRCQNBFPHLLIN-BRWVUGGUSA-N 2 1 303.450 1.437 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084599706 757692645 /nfs/dbraw/zinc/69/26/45/757692645.db2.gz SVGCFJRIWAUAAQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599706 757692648 /nfs/dbraw/zinc/69/26/48/757692648.db2.gz SVGCFJRIWAUAAQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599706 757692653 /nfs/dbraw/zinc/69/26/53/757692653.db2.gz SVGCFJRIWAUAAQ-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC001017267548 757774203 /nfs/dbraw/zinc/77/42/03/757774203.db2.gz QLNBRJVRQGZQQQ-INIZCTEOSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001052819012 757822598 /nfs/dbraw/zinc/82/25/98/757822598.db2.gz BRCYKHQYUPGOGP-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052836246 757852537 /nfs/dbraw/zinc/85/25/37/757852537.db2.gz HJSFWMRBQWMMCK-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001017556229 758024114 /nfs/dbraw/zinc/02/41/14/758024114.db2.gz DFSQZSWWIPWLCO-IXDOHACOSA-N 2 1 303.450 1.580 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001017556229 758024121 /nfs/dbraw/zinc/02/41/21/758024121.db2.gz DFSQZSWWIPWLCO-IXDOHACOSA-N 2 1 303.450 1.580 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016918 758153294 /nfs/dbraw/zinc/15/32/94/758153294.db2.gz VWSLGUIQNZKFSE-MHORFTMASA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016918 758153297 /nfs/dbraw/zinc/15/32/97/758153297.db2.gz VWSLGUIQNZKFSE-MHORFTMASA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001085016918 758153300 /nfs/dbraw/zinc/15/33/00/758153300.db2.gz VWSLGUIQNZKFSE-MHORFTMASA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085033310 758167027 /nfs/dbraw/zinc/16/70/27/758167027.db2.gz ZVQREVQYILVDMB-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)O2 ZINC001053603167 758623653 /nfs/dbraw/zinc/62/36/53/758623653.db2.gz OYSURGPQBQWRIL-OWCLPIDISA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227266 759316793 /nfs/dbraw/zinc/31/67/93/759316793.db2.gz GBPNENZXTVVJTI-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227266 759316807 /nfs/dbraw/zinc/31/68/07/759316807.db2.gz GBPNENZXTVVJTI-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054227266 759316814 /nfs/dbraw/zinc/31/68/14/759316814.db2.gz GBPNENZXTVVJTI-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP N#C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)C(N)=O ZINC001170538075 767880565 /nfs/dbraw/zinc/88/05/65/767880565.db2.gz YLYMHWCQISYUPG-JSGCOSHPSA-N 2 1 312.377 1.140 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001085668601 759963859 /nfs/dbraw/zinc/96/38/59/759963859.db2.gz HEMOLEJLIJAZDN-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001054910827 760178488 /nfs/dbraw/zinc/17/84/88/760178488.db2.gz GFLYKJRHDZZBMX-HIFRSBDPSA-N 2 1 302.422 1.384 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108216005 760416657 /nfs/dbraw/zinc/41/66/57/760416657.db2.gz PMFUOOLLADVOIU-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108216005 760416661 /nfs/dbraw/zinc/41/66/61/760416661.db2.gz PMFUOOLLADVOIU-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108216005 760416668 /nfs/dbraw/zinc/41/66/68/760416668.db2.gz PMFUOOLLADVOIU-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086386933 761530135 /nfs/dbraw/zinc/53/01/35/761530135.db2.gz LSZYMTZZSXYLRI-ZOBUZTSGSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H](O)C1 ZINC001100082442 761596868 /nfs/dbraw/zinc/59/68/68/761596868.db2.gz BRKYPJMMYZOJCS-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082442 761596871 /nfs/dbraw/zinc/59/68/71/761596871.db2.gz BRKYPJMMYZOJCS-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H](O)C1 ZINC001100082442 761596878 /nfs/dbraw/zinc/59/68/78/761596878.db2.gz BRKYPJMMYZOJCS-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041338624 762966088 /nfs/dbraw/zinc/96/60/88/762966088.db2.gz IYCYRLQPOOKORG-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041338624 762966090 /nfs/dbraw/zinc/96/60/90/762966090.db2.gz IYCYRLQPOOKORG-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041338624 762966094 /nfs/dbraw/zinc/96/60/94/762966094.db2.gz IYCYRLQPOOKORG-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041359804 762979352 /nfs/dbraw/zinc/97/93/52/762979352.db2.gz VKONVEDQSBPFTH-AEFFLSMTSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041371076 762984887 /nfs/dbraw/zinc/98/48/87/762984887.db2.gz JZQFWWQYIDKIHK-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041371076 762984891 /nfs/dbraw/zinc/98/48/91/762984891.db2.gz JZQFWWQYIDKIHK-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041371076 762984895 /nfs/dbraw/zinc/98/48/95/762984895.db2.gz JZQFWWQYIDKIHK-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001050472511 763639101 /nfs/dbraw/zinc/63/91/01/763639101.db2.gz VGDOMUBOFMGVBG-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001050472511 763639106 /nfs/dbraw/zinc/63/91/06/763639106.db2.gz VGDOMUBOFMGVBG-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042133054 763689254 /nfs/dbraw/zinc/68/92/54/763689254.db2.gz JECNJHKUVCDAOZ-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661295 763883185 /nfs/dbraw/zinc/88/31/85/763883185.db2.gz RXZLMFAXUUODNY-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001050663438 763887582 /nfs/dbraw/zinc/88/75/82/763887582.db2.gz UXMLRYBKLJWNQZ-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001042314665 763904478 /nfs/dbraw/zinc/90/44/78/763904478.db2.gz USBYZDGKEWNEMH-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042354039 763955294 /nfs/dbraw/zinc/95/52/94/763955294.db2.gz CZHRYBVNCVTYNV-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042354039 763955297 /nfs/dbraw/zinc/95/52/97/763955297.db2.gz CZHRYBVNCVTYNV-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046993929 768177798 /nfs/dbraw/zinc/17/77/98/768177798.db2.gz ZUFRVNPZIPCZTI-OLZOCXBDSA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993929 768177801 /nfs/dbraw/zinc/17/78/01/768177801.db2.gz ZUFRVNPZIPCZTI-OLZOCXBDSA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993929 768177806 /nfs/dbraw/zinc/17/78/06/768177806.db2.gz ZUFRVNPZIPCZTI-OLZOCXBDSA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001111553123 764303527 /nfs/dbraw/zinc/30/35/27/764303527.db2.gz VHGKHXGPRATJOK-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578831 764423571 /nfs/dbraw/zinc/42/35/71/764423571.db2.gz JAXGBWWJHCFHHZ-RYRKJORJSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(C)C)CC1 ZINC001052460106 765849872 /nfs/dbraw/zinc/84/98/72/765849872.db2.gz VLUTYQFDZANYCQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC001052460106 765849878 /nfs/dbraw/zinc/84/98/78/765849878.db2.gz VLUTYQFDZANYCQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC001052460106 765849883 /nfs/dbraw/zinc/84/98/83/765849883.db2.gz VLUTYQFDZANYCQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(C)C)CC1 ZINC001052460106 765849890 /nfs/dbraw/zinc/84/98/90/765849890.db2.gz VLUTYQFDZANYCQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001052486992 765877679 /nfs/dbraw/zinc/87/76/79/765877679.db2.gz ROJDZZZEEJHODI-QGZVFWFLSA-N 2 1 317.477 1.856 20 30 DDEDMP N#Cc1ccc(CNc2nc(N3CC[NH2+]CC3)cc[nH+]2)s1 ZINC001170200336 766182930 /nfs/dbraw/zinc/18/29/30/766182930.db2.gz IVMFIBULVSSREA-UHFFFAOYSA-N 2 1 300.391 1.431 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045476117 766333078 /nfs/dbraw/zinc/33/30/78/766333078.db2.gz ZWNFGEKEJMWQMP-IRXDYDNUSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001045534505 766385380 /nfs/dbraw/zinc/38/53/80/766385380.db2.gz LPSQSPHQRUQCGO-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985587 766762503 /nfs/dbraw/zinc/76/25/03/766762503.db2.gz XIWVSECROHQXAL-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985587 766762505 /nfs/dbraw/zinc/76/25/05/766762505.db2.gz XIWVSECROHQXAL-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985587 766762510 /nfs/dbraw/zinc/76/25/10/766762510.db2.gz XIWVSECROHQXAL-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001130298166 767419103 /nfs/dbraw/zinc/41/91/03/767419103.db2.gz XIMGDOOKPDCTFB-CQSZACIVSA-N 2 1 306.435 1.310 20 30 DDEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@H+](C)CCC)C1 ZINC001130445906 767528127 /nfs/dbraw/zinc/52/81/27/767528127.db2.gz DFVQKBYKBHLHJA-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130445906 767528131 /nfs/dbraw/zinc/52/81/31/767528131.db2.gz DFVQKBYKBHLHJA-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)CCC)C1 ZINC001130445906 767528136 /nfs/dbraw/zinc/52/81/36/767528136.db2.gz DFVQKBYKBHLHJA-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC001071241549 769183091 /nfs/dbraw/zinc/18/30/91/769183091.db2.gz WRUNDXNOXNQEAF-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132938326 769336441 /nfs/dbraw/zinc/33/64/41/769336441.db2.gz TZHAEDGQJLQWTG-HOTGVXAUSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071739360 769980213 /nfs/dbraw/zinc/98/02/13/769980213.db2.gz RMVWPONCQBBDRB-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048884589 770044538 /nfs/dbraw/zinc/04/45/38/770044538.db2.gz DZGMNEBGAXMYIX-CALCHBBNSA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049001180 770231501 /nfs/dbraw/zinc/23/15/01/770231501.db2.gz LXEXNGBXLPVESW-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001180 770231504 /nfs/dbraw/zinc/23/15/04/770231504.db2.gz LXEXNGBXLPVESW-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049001180 770231507 /nfs/dbraw/zinc/23/15/07/770231507.db2.gz LXEXNGBXLPVESW-KURKYZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001133833821 770316918 /nfs/dbraw/zinc/31/69/18/770316918.db2.gz GZUXKMBDTOFAKR-AWEZNQCLSA-N 2 1 300.406 1.248 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097898 770370691 /nfs/dbraw/zinc/37/06/91/770370691.db2.gz WRAYMDYSFRMTHP-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097898 770370702 /nfs/dbraw/zinc/37/07/02/770370702.db2.gz WRAYMDYSFRMTHP-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097898 770370714 /nfs/dbraw/zinc/37/07/14/770370714.db2.gz WRAYMDYSFRMTHP-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=C)C)C2)CC1 ZINC001072096295 770537630 /nfs/dbraw/zinc/53/76/30/770537630.db2.gz XFGLDTVQYXECPR-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235641 770583498 /nfs/dbraw/zinc/58/34/98/770583498.db2.gz QEXDUURGKSKMHX-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086720759 770854813 /nfs/dbraw/zinc/85/48/13/770854813.db2.gz MQMCDMYTOWSLRT-KSZLIROESA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001086720759 770854828 /nfs/dbraw/zinc/85/48/28/770854828.db2.gz MQMCDMYTOWSLRT-KSZLIROESA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049465614 770886725 /nfs/dbraw/zinc/88/67/25/770886725.db2.gz SSBSBZYULMORHS-BBWFWOEESA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049465614 770886735 /nfs/dbraw/zinc/88/67/35/770886735.db2.gz SSBSBZYULMORHS-BBWFWOEESA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049465614 770886744 /nfs/dbraw/zinc/88/67/44/770886744.db2.gz SSBSBZYULMORHS-BBWFWOEESA-N 2 1 303.450 1.558 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049516803 770960557 /nfs/dbraw/zinc/96/05/57/770960557.db2.gz GFDUPGRTEOGKSR-CVEARBPZSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688160 771087384 /nfs/dbraw/zinc/08/73/84/771087384.db2.gz RTRJKSHSHQJFEW-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001091032749 772467675 /nfs/dbraw/zinc/46/76/75/772467675.db2.gz FIWLYTHNYBTOAR-PFSRBDOWSA-N 2 1 313.873 1.954 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001148571150 773511939 /nfs/dbraw/zinc/51/19/39/773511939.db2.gz XZUVHFSQPXCXCQ-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001148638422 773562124 /nfs/dbraw/zinc/56/21/24/773562124.db2.gz HHFBICBVDUWVAT-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC)C[C@@]2(C)C1 ZINC001091749238 773599425 /nfs/dbraw/zinc/59/94/25/773599425.db2.gz FWPSUYNFERSJKK-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC)C[C@@]2(C)C1 ZINC001091749238 773599428 /nfs/dbraw/zinc/59/94/28/773599428.db2.gz FWPSUYNFERSJKK-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC)C[C@@]2(C)C1 ZINC001091749238 773599430 /nfs/dbraw/zinc/59/94/30/773599430.db2.gz FWPSUYNFERSJKK-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC)C[C@@]2(C)C1 ZINC001091749238 773599433 /nfs/dbraw/zinc/59/94/33/773599433.db2.gz FWPSUYNFERSJKK-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074326759 773824554 /nfs/dbraw/zinc/82/45/54/773824554.db2.gz JZSQDBIYZLWZCU-SJORKVTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074326759 773824555 /nfs/dbraw/zinc/82/45/55/773824555.db2.gz JZSQDBIYZLWZCU-SJORKVTESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091854325 773839599 /nfs/dbraw/zinc/83/95/99/773839599.db2.gz FRDUWNYSLSHQIS-QAPCUYQASA-N 2 1 308.385 1.361 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302057 774052433 /nfs/dbraw/zinc/05/24/33/774052433.db2.gz REZJGOXSMXSXFH-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302057 774052440 /nfs/dbraw/zinc/05/24/40/774052440.db2.gz REZJGOXSMXSXFH-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302057 774052444 /nfs/dbraw/zinc/05/24/44/774052444.db2.gz REZJGOXSMXSXFH-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001098984935 774755358 /nfs/dbraw/zinc/75/53/58/774755358.db2.gz XGRYYZYQROTJBL-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001098984935 774755362 /nfs/dbraw/zinc/75/53/62/774755362.db2.gz XGRYYZYQROTJBL-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098984935 774755369 /nfs/dbraw/zinc/75/53/69/774755369.db2.gz XGRYYZYQROTJBL-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001098984935 774755375 /nfs/dbraw/zinc/75/53/75/774755375.db2.gz XGRYYZYQROTJBL-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001099029597 774781621 /nfs/dbraw/zinc/78/16/21/774781621.db2.gz GRUDFUZNFVROHP-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029597 774781624 /nfs/dbraw/zinc/78/16/24/774781624.db2.gz GRUDFUZNFVROHP-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029597 774781627 /nfs/dbraw/zinc/78/16/27/774781627.db2.gz GRUDFUZNFVROHP-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCF)C3)CC1 ZINC001099174300 774882986 /nfs/dbraw/zinc/88/29/86/774882986.db2.gz GVMLXGUSBPRSTG-WMZOPIPTSA-N 2 1 321.440 1.272 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001099330642 774950260 /nfs/dbraw/zinc/95/02/60/774950260.db2.gz BMERLQAIJBBVDB-YNEHKIRRSA-N 2 1 319.371 1.493 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001149842716 775316805 /nfs/dbraw/zinc/31/68/05/775316805.db2.gz YMQDNRKCDUIEOU-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904238 776082021 /nfs/dbraw/zinc/08/20/21/776082021.db2.gz ONGNYJZTNQHLEF-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171501744 776321198 /nfs/dbraw/zinc/32/11/98/776321198.db2.gz VWOPREUTPNYHML-BZUAXINKSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171501744 776321205 /nfs/dbraw/zinc/32/12/05/776321205.db2.gz VWOPREUTPNYHML-BZUAXINKSA-N 2 1 311.470 1.546 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001100922386 776706368 /nfs/dbraw/zinc/70/63/68/776706368.db2.gz BGVFBOQPMFDMKF-HTWSVDAQSA-N 2 1 305.466 1.923 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257259 777016340 /nfs/dbraw/zinc/01/63/40/777016340.db2.gz MMPRUXCVNUFHIN-INMHGKMJSA-N 2 1 311.445 1.633 20 30 DDEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101594507 777286308 /nfs/dbraw/zinc/28/63/08/777286308.db2.gz FJZXZBIIUBCLNR-MRXNPFEDSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102046106 777829419 /nfs/dbraw/zinc/82/94/19/777829419.db2.gz NFBPGVVWGJZQPB-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001102104262 777876416 /nfs/dbraw/zinc/87/64/16/777876416.db2.gz NDTPJYGDTWVWHC-HZPDHXFCSA-N 2 1 323.481 1.051 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001102104262 777876424 /nfs/dbraw/zinc/87/64/24/777876424.db2.gz NDTPJYGDTWVWHC-HZPDHXFCSA-N 2 1 323.481 1.051 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001102104262 777876430 /nfs/dbraw/zinc/87/64/30/777876430.db2.gz NDTPJYGDTWVWHC-HZPDHXFCSA-N 2 1 323.481 1.051 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](C)C1 ZINC001102111025 777880816 /nfs/dbraw/zinc/88/08/16/777880816.db2.gz RFPRGGADZVFPMB-HZPDHXFCSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102111025 777880822 /nfs/dbraw/zinc/88/08/22/777880822.db2.gz RFPRGGADZVFPMB-HZPDHXFCSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](C)C1 ZINC001102111025 777880827 /nfs/dbraw/zinc/88/08/27/777880827.db2.gz RFPRGGADZVFPMB-HZPDHXFCSA-N 2 1 319.493 1.957 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001176071224 778012135 /nfs/dbraw/zinc/01/21/35/778012135.db2.gz CZXDBDYHHBGCGW-MRXNPFEDSA-N 2 1 300.406 1.106 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102358152 778094302 /nfs/dbraw/zinc/09/43/02/778094302.db2.gz YHVXIKRFFPYGNB-BRWVUGGUSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001176283968 778101117 /nfs/dbraw/zinc/10/11/17/778101117.db2.gz BZAQUYXEPXEDPY-INIZCTEOSA-N 2 1 313.486 1.795 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430049 778134409 /nfs/dbraw/zinc/13/44/09/778134409.db2.gz BRPQYEWZTMFWSO-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511508 778178147 /nfs/dbraw/zinc/17/81/47/778178147.db2.gz ZUFTYHWHBKPCTG-TZMCWYRMSA-N 2 1 317.861 1.001 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613218 778240494 /nfs/dbraw/zinc/24/04/94/778240494.db2.gz RQEMXRWWPWQWLP-SJLPKXTDSA-N 2 1 313.445 1.436 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613218 778240499 /nfs/dbraw/zinc/24/04/99/778240499.db2.gz RQEMXRWWPWQWLP-SJLPKXTDSA-N 2 1 313.445 1.436 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613218 778240501 /nfs/dbraw/zinc/24/05/01/778240501.db2.gz RQEMXRWWPWQWLP-SJLPKXTDSA-N 2 1 313.445 1.436 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613218 778240504 /nfs/dbraw/zinc/24/05/04/778240504.db2.gz RQEMXRWWPWQWLP-SJLPKXTDSA-N 2 1 313.445 1.436 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177079131 778431446 /nfs/dbraw/zinc/43/14/46/778431446.db2.gz AIYQDMAGDNGBGL-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177079131 778431448 /nfs/dbraw/zinc/43/14/48/778431448.db2.gz AIYQDMAGDNGBGL-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103003195 778549901 /nfs/dbraw/zinc/54/99/01/778549901.db2.gz HGLVJFAYJJXRMZ-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103003195 778549905 /nfs/dbraw/zinc/54/99/05/778549905.db2.gz HGLVJFAYJJXRMZ-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103003195 778549909 /nfs/dbraw/zinc/54/99/09/778549909.db2.gz HGLVJFAYJJXRMZ-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC#CCOC)C[C@H]1C ZINC001103612535 778962940 /nfs/dbraw/zinc/96/29/40/778962940.db2.gz HRTCVHOKLXIJHX-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC#CCOC)C[C@H]1C ZINC001103612535 778962945 /nfs/dbraw/zinc/96/29/45/778962945.db2.gz HRTCVHOKLXIJHX-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP CC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001103612535 778962949 /nfs/dbraw/zinc/96/29/49/778962949.db2.gz HRTCVHOKLXIJHX-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001178815354 779201705 /nfs/dbraw/zinc/20/17/05/779201705.db2.gz AGXXVQZJXCRLLH-SJORKVTESA-N 2 1 305.466 1.903 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001179158361 779297437 /nfs/dbraw/zinc/29/74/37/779297437.db2.gz MWBOTJODWDMBKL-GJZGRUSLSA-N 2 1 314.433 1.364 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001179725365 779468931 /nfs/dbraw/zinc/46/89/31/779468931.db2.gz NKUTYBBODNJYAG-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001179788020 779487788 /nfs/dbraw/zinc/48/77/88/779487788.db2.gz JEDQKNUORHPNDG-SJORKVTESA-N 2 1 305.466 1.903 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115342231 780054017 /nfs/dbraw/zinc/05/40/17/780054017.db2.gz SZCCAEZXQTYVEC-DZFIZOCASA-N 2 1 313.445 1.741 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115342231 780054021 /nfs/dbraw/zinc/05/40/21/780054021.db2.gz SZCCAEZXQTYVEC-DZFIZOCASA-N 2 1 313.445 1.741 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115342231 780054029 /nfs/dbraw/zinc/05/40/29/780054029.db2.gz SZCCAEZXQTYVEC-DZFIZOCASA-N 2 1 313.445 1.741 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115342231 780054034 /nfs/dbraw/zinc/05/40/34/780054034.db2.gz SZCCAEZXQTYVEC-DZFIZOCASA-N 2 1 313.445 1.741 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC)CCCCC1 ZINC001115578023 780246344 /nfs/dbraw/zinc/24/63/44/780246344.db2.gz VBOBPPCBDCWMFH-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC)CCCCC1 ZINC001115578023 780246347 /nfs/dbraw/zinc/24/63/47/780246347.db2.gz VBOBPPCBDCWMFH-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCF)CC1 ZINC001267182194 837485531 /nfs/dbraw/zinc/48/55/31/837485531.db2.gz WPLVZEPJDDJDKE-KRWDZBQOSA-N 2 1 323.456 1.662 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267278798 837730663 /nfs/dbraw/zinc/73/06/63/837730663.db2.gz QSCQRKLBLOESFJ-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[N@H+](C)CC)CC1 ZINC001271782649 844105884 /nfs/dbraw/zinc/10/58/84/844105884.db2.gz CVVOPCTVQJBVCL-QAQDUYKDSA-N 2 1 307.482 1.864 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001266496054 836348291 /nfs/dbraw/zinc/34/82/91/836348291.db2.gz ZRXSCIANKBMNFV-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001266496054 836348302 /nfs/dbraw/zinc/34/83/02/836348302.db2.gz ZRXSCIANKBMNFV-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266614754 836537424 /nfs/dbraw/zinc/53/74/24/836537424.db2.gz PJYHXSUDTLWBBE-RBSFLKMASA-N 2 1 300.406 1.014 20 30 DDEDMP C=CCCC[NH2+][C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001266981841 837146046 /nfs/dbraw/zinc/14/60/46/837146046.db2.gz RQPLNCOPOWAHTE-CQSZACIVSA-N 2 1 313.405 1.941 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267112169 837370766 /nfs/dbraw/zinc/37/07/66/837370766.db2.gz PLHWCSXVICLYTC-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267112169 837370781 /nfs/dbraw/zinc/37/07/81/837370781.db2.gz PLHWCSXVICLYTC-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267545915 838281856 /nfs/dbraw/zinc/28/18/56/838281856.db2.gz YAMCBCZNTBEVGI-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267560585 838308468 /nfs/dbraw/zinc/30/84/68/838308468.db2.gz LCZSWDAGDZNLAM-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001267560585 838308477 /nfs/dbraw/zinc/30/84/77/838308477.db2.gz LCZSWDAGDZNLAM-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001267560585 838308486 /nfs/dbraw/zinc/30/84/86/838308486.db2.gz LCZSWDAGDZNLAM-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267563092 838313890 /nfs/dbraw/zinc/31/38/90/838313890.db2.gz RLJIROUKPGHRIE-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267563092 838313892 /nfs/dbraw/zinc/31/38/92/838313892.db2.gz RLJIROUKPGHRIE-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267600567 838408237 /nfs/dbraw/zinc/40/82/37/838408237.db2.gz QAKZDRUJORMSNC-UHFFFAOYSA-N 2 1 304.438 1.938 20 30 DDEDMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001267600567 838408242 /nfs/dbraw/zinc/40/82/42/838408242.db2.gz QAKZDRUJORMSNC-UHFFFAOYSA-N 2 1 304.438 1.938 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267670775 838615151 /nfs/dbraw/zinc/61/51/51/838615151.db2.gz PIDATRGXNRZZEJ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001267852769 839081217 /nfs/dbraw/zinc/08/12/17/839081217.db2.gz GYFUJKQNGGSFMX-SJLPKXTDSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268110536 839700165 /nfs/dbraw/zinc/70/01/65/839700165.db2.gz GNZUOHRXAQGMBS-HZPDHXFCSA-N 2 1 316.449 1.508 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268157411 839768443 /nfs/dbraw/zinc/76/84/43/839768443.db2.gz YQHAHLIPFAFKKR-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC2CCC2)CC1 ZINC001268260739 839908708 /nfs/dbraw/zinc/90/87/08/839908708.db2.gz YQCNKJOQBCQQPM-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001268689521 840676764 /nfs/dbraw/zinc/67/67/64/840676764.db2.gz ZOONDDPXOBPDDW-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001270083861 842280842 /nfs/dbraw/zinc/28/08/42/842280842.db2.gz SGZKXCJUGMEKIS-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001270188264 842365889 /nfs/dbraw/zinc/36/58/89/842365889.db2.gz ONWOWFXFFINYAQ-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001270718488 842844230 /nfs/dbraw/zinc/84/42/30/842844230.db2.gz OSVFSNWQSJTIBX-FUHWJXTLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001326491836 861405676 /nfs/dbraw/zinc/40/56/76/861405676.db2.gz ICNODNXKIOILNN-QGZVFWFLSA-N 2 1 301.434 1.872 20 30 DDEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001326491836 861405680 /nfs/dbraw/zinc/40/56/80/861405680.db2.gz ICNODNXKIOILNN-QGZVFWFLSA-N 2 1 301.434 1.872 20 30 DDEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001326491836 861405683 /nfs/dbraw/zinc/40/56/83/861405683.db2.gz ICNODNXKIOILNN-QGZVFWFLSA-N 2 1 301.434 1.872 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CC)CC(C)C ZINC001271269698 843459607 /nfs/dbraw/zinc/45/96/07/843459607.db2.gz NOIWXBOARHUTNQ-SJORKVTESA-N 2 1 303.450 1.228 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC#CC)CC(C)C ZINC001271269698 843459610 /nfs/dbraw/zinc/45/96/10/843459610.db2.gz NOIWXBOARHUTNQ-SJORKVTESA-N 2 1 303.450 1.228 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001328787472 863225245 /nfs/dbraw/zinc/22/52/45/863225245.db2.gz WLOGGZWZSFOUIR-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001328787472 863225251 /nfs/dbraw/zinc/22/52/51/863225251.db2.gz WLOGGZWZSFOUIR-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001328787472 863225259 /nfs/dbraw/zinc/22/52/59/863225259.db2.gz WLOGGZWZSFOUIR-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001272533721 846281671 /nfs/dbraw/zinc/28/16/71/846281671.db2.gz IUSOLSJJEBCRLD-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC001149632177 861765993 /nfs/dbraw/zinc/76/59/93/861765993.db2.gz PLGCPQLLXJYKDN-AWEZNQCLSA-N 2 1 306.410 1.126 20 30 DDEDMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001272829797 847518809 /nfs/dbraw/zinc/51/88/09/847518809.db2.gz LZUZLGLVLVSDSA-RDJZCZTQSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001005519055 848050018 /nfs/dbraw/zinc/05/00/18/848050018.db2.gz SBHCDNSMKADKNW-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CCC2)CC1 ZINC001005519055 848050022 /nfs/dbraw/zinc/05/00/22/848050022.db2.gz SBHCDNSMKADKNW-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC2)CC1 ZINC001005517951 848061178 /nfs/dbraw/zinc/06/11/78/848061178.db2.gz IFWLKDOJSCBROS-KRWDZBQOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC2CC2)CC1 ZINC001005517951 848061182 /nfs/dbraw/zinc/06/11/82/848061182.db2.gz IFWLKDOJSCBROS-KRWDZBQOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034260252 848185957 /nfs/dbraw/zinc/18/59/57/848185957.db2.gz HEHYSIAKSUVPLO-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034365253 848420361 /nfs/dbraw/zinc/42/03/61/848420361.db2.gz YZEUEXJBBSKOHS-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034365253 848420364 /nfs/dbraw/zinc/42/03/64/848420364.db2.gz YZEUEXJBBSKOHS-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034365253 848420368 /nfs/dbraw/zinc/42/03/68/848420368.db2.gz YZEUEXJBBSKOHS-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCN1CC2(CCC1=O)CC[NH+](C1CC[NH+](C)CC1)CC2 ZINC001273826873 851391355 /nfs/dbraw/zinc/39/13/55/851391355.db2.gz JHKXFQXMOKLWJT-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001274318963 852154698 /nfs/dbraw/zinc/15/46/98/852154698.db2.gz VXVVSXBTHVNYGB-IYKSTZQJSA-N 2 1 300.406 1.039 20 30 DDEDMP C=CCOc1ccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001275960113 854020508 /nfs/dbraw/zinc/02/05/08/854020508.db2.gz OWYLJJNMOFQZEX-UHFFFAOYSA-N 2 1 315.461 1.931 20 30 DDEDMP COCC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001276258119 855067487 /nfs/dbraw/zinc/06/74/87/855067487.db2.gz GEUZAEWPQNGGDZ-KRWDZBQOSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001006445281 855443686 /nfs/dbraw/zinc/44/36/86/855443686.db2.gz GQTBXNGUXYOXSY-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596160 857034075 /nfs/dbraw/zinc/03/40/75/857034075.db2.gz SEWMCSMTLXXQQJ-HOTGVXAUSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596160 857034077 /nfs/dbraw/zinc/03/40/77/857034077.db2.gz SEWMCSMTLXXQQJ-HOTGVXAUSA-N 2 1 302.422 1.833 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)C2)C1 ZINC001072812241 857741651 /nfs/dbraw/zinc/74/16/51/857741651.db2.gz XULVQUNRHNOPTA-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812241 857741655 /nfs/dbraw/zinc/74/16/55/857741655.db2.gz XULVQUNRHNOPTA-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)C1 ZINC001072812241 857741660 /nfs/dbraw/zinc/74/16/60/857741660.db2.gz XULVQUNRHNOPTA-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813538 857743200 /nfs/dbraw/zinc/74/32/00/857743200.db2.gz VNORCDUOWJYQBJ-OAHLLOKOSA-N 2 1 312.417 1.318 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813538 857743208 /nfs/dbraw/zinc/74/32/08/857743208.db2.gz VNORCDUOWJYQBJ-OAHLLOKOSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001328402405 862951070 /nfs/dbraw/zinc/95/10/70/862951070.db2.gz HZXUTEQNDDDDHT-ZFWWWQNUSA-N 2 1 302.422 1.262 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035345 858028834 /nfs/dbraw/zinc/02/88/34/858028834.db2.gz FBYRIKHSHCJATI-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(Cl)CN1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224560808 881449311 /nfs/dbraw/zinc/44/93/11/881449311.db2.gz XMYIHQDTYOICCQ-CYBMUJFWSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001224560808 881449332 /nfs/dbraw/zinc/44/93/32/881449332.db2.gz XMYIHQDTYOICCQ-CYBMUJFWSA-N 2 1 313.873 1.909 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001328763194 863200445 /nfs/dbraw/zinc/20/04/45/863200445.db2.gz BYJLPJMMJJCALS-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001328763194 863200460 /nfs/dbraw/zinc/20/04/60/863200460.db2.gz BYJLPJMMJJCALS-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001328879785 863306860 /nfs/dbraw/zinc/30/68/60/863306860.db2.gz MAFZVGUQCFUSLO-OFLPRAFFSA-N 2 1 305.466 1.615 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001152439900 863346826 /nfs/dbraw/zinc/34/68/26/863346826.db2.gz UNUQTKBSTXXQIZ-UHFFFAOYSA-N 2 1 306.385 1.243 20 30 DDEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001329244052 863557483 /nfs/dbraw/zinc/55/74/83/863557483.db2.gz QKXUFCNZUGMKBX-JCYILVPMSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329488842 863694485 /nfs/dbraw/zinc/69/44/85/863694485.db2.gz OLJVFONMJBRBFY-CQSZACIVSA-N 2 1 313.405 1.894 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001153387427 863865593 /nfs/dbraw/zinc/86/55/93/863865593.db2.gz ACKPBLWQWUNOKO-WBVHZDCISA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCCC)C[NH2+]CC#CC ZINC001329877226 863915010 /nfs/dbraw/zinc/91/50/10/863915010.db2.gz WDQPFBGQYPQRLG-SJORKVTESA-N 2 1 303.450 1.372 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCCC)C[NH2+]CC#CC ZINC001329877226 863915021 /nfs/dbraw/zinc/91/50/21/863915021.db2.gz WDQPFBGQYPQRLG-SJORKVTESA-N 2 1 303.450 1.372 20 30 DDEDMP C=CCCCCC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158505596 864694511 /nfs/dbraw/zinc/69/45/11/864694511.db2.gz CPOBCVZNYMABSM-IAGOWNOFSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159726476 865486300 /nfs/dbraw/zinc/48/63/00/865486300.db2.gz XUGITFGJFGXYPZ-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159726476 865486309 /nfs/dbraw/zinc/48/63/09/865486309.db2.gz XUGITFGJFGXYPZ-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159726476 865486316 /nfs/dbraw/zinc/48/63/16/865486316.db2.gz XUGITFGJFGXYPZ-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159726476 865486322 /nfs/dbraw/zinc/48/63/22/865486322.db2.gz XUGITFGJFGXYPZ-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001160293740 865767869 /nfs/dbraw/zinc/76/78/69/865767869.db2.gz ZZVZDMWSTHGPIP-QGZVFWFLSA-N 2 1 323.456 1.828 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001332647697 866018151 /nfs/dbraw/zinc/01/81/51/866018151.db2.gz LIBPIVMPWGKRKR-HNNXBMFYSA-N 2 1 311.470 1.188 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160957112 866221005 /nfs/dbraw/zinc/22/10/05/866221005.db2.gz FPQJTUYVVAWONT-LBPRGKRZSA-N 2 1 318.381 1.134 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001319942306 866395106 /nfs/dbraw/zinc/39/51/06/866395106.db2.gz CCTLYMVDEGLUGO-DOTOQJQBSA-N 2 1 316.449 1.508 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001161189703 866432980 /nfs/dbraw/zinc/43/29/80/866432980.db2.gz XYGFRFMPOGPOLT-OAHLLOKOSA-N 2 1 312.417 1.601 20 30 DDEDMP C=C(Cl)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001333223586 866537386 /nfs/dbraw/zinc/53/73/86/866537386.db2.gz QYSLFSSTNHUKSQ-ZIAGYGMSSA-N 2 1 317.861 1.144 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001324632749 867419334 /nfs/dbraw/zinc/41/93/34/867419334.db2.gz MOWLLGCLTWPYLA-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)Cn2c[nH+]cc2C)(COC)CC1 ZINC001162356852 867488359 /nfs/dbraw/zinc/48/83/59/867488359.db2.gz MUUZTIAGHPJTNJ-UHFFFAOYSA-N 2 1 320.437 1.222 20 30 DDEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001324894088 867609835 /nfs/dbraw/zinc/60/98/35/867609835.db2.gz ZSGSNJLHFYFQIV-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001322230752 868065905 /nfs/dbraw/zinc/06/59/05/868065905.db2.gz NIBKIIRERZDAQA-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001322230752 868065920 /nfs/dbraw/zinc/06/59/20/868065920.db2.gz NIBKIIRERZDAQA-HIFRSBDPSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001317049462 870166985 /nfs/dbraw/zinc/16/69/85/870166985.db2.gz RHTAQXVCZDCXKL-XHSDSOJGSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001317049462 870166992 /nfs/dbraw/zinc/16/69/92/870166992.db2.gz RHTAQXVCZDCXKL-XHSDSOJGSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001317270321 870561213 /nfs/dbraw/zinc/56/12/13/870561213.db2.gz VNUWMZMBPINAFF-UKRRQHHQSA-N 2 1 320.437 1.051 20 30 DDEDMP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1 ZINC001205242145 871453389 /nfs/dbraw/zinc/45/33/89/871453389.db2.gz WWGBSHVRYMNROO-SFHVURJKSA-N 2 1 316.449 1.712 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518710 871603191 /nfs/dbraw/zinc/60/31/91/871603191.db2.gz IJSFUNHPOXFXNW-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001316698308 871655445 /nfs/dbraw/zinc/65/54/45/871655445.db2.gz DUAIFGGFJLEDML-LTIDMASMSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316768650 871879311 /nfs/dbraw/zinc/87/93/11/871879311.db2.gz RKXDUWKBBSGPCU-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC ZINC001206165265 872103768 /nfs/dbraw/zinc/10/37/68/872103768.db2.gz NBSDXGRPGOJZIU-HUUCEWRRSA-N 2 1 306.381 1.968 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cc1OC ZINC001206165265 872103775 /nfs/dbraw/zinc/10/37/75/872103775.db2.gz NBSDXGRPGOJZIU-HUUCEWRRSA-N 2 1 306.381 1.968 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1cnc[nH]1 ZINC001226686993 882585292 /nfs/dbraw/zinc/58/52/92/882585292.db2.gz LDQHYZYPYHBFNH-HZPDHXFCSA-N 2 1 318.421 1.009 20 30 DDEDMP C#CCC[NH2+]C[C@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@@H]1C ZINC001318744013 872240786 /nfs/dbraw/zinc/24/07/86/872240786.db2.gz IZCXELZSFIWIKL-MAUKXSAKSA-N 2 1 316.449 1.870 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001206444976 872330546 /nfs/dbraw/zinc/33/05/46/872330546.db2.gz ISSCHHRHXGTQFR-UHFFFAOYSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001318958826 872368722 /nfs/dbraw/zinc/36/87/22/872368722.db2.gz JMRFASGBNAVNEJ-HDJSIYSDSA-N 2 1 320.437 1.943 20 30 DDEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001319548294 872683775 /nfs/dbraw/zinc/68/37/75/872683775.db2.gz DQLMLEXWQPYWCR-HNNXBMFYSA-N 2 1 320.437 1.058 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001207583593 873404043 /nfs/dbraw/zinc/40/40/43/873404043.db2.gz YCRUWRZYIAHNEQ-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001209267626 874765028 /nfs/dbraw/zinc/76/50/28/874765028.db2.gz SHEDRXIHJRGYSR-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001276656194 874997189 /nfs/dbraw/zinc/99/71/89/874997189.db2.gz LOCJAFWVVBVCJM-DOTOQJQBSA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001381928039 882974743 /nfs/dbraw/zinc/97/47/43/882974743.db2.gz JYUSDSSVHNHGAZ-KKUMJFAQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388615 876311896 /nfs/dbraw/zinc/31/18/96/876311896.db2.gz DSRDUAFGRFWZGE-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388615 876311907 /nfs/dbraw/zinc/31/19/07/876311907.db2.gz DSRDUAFGRFWZGE-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001214879236 876492399 /nfs/dbraw/zinc/49/23/99/876492399.db2.gz SUBPCQXSFLDWRS-ZACQAIPSSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001214879236 876492401 /nfs/dbraw/zinc/49/24/01/876492401.db2.gz SUBPCQXSFLDWRS-ZACQAIPSSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216850806 877078945 /nfs/dbraw/zinc/07/89/45/877078945.db2.gz RXGOBHXFFCGEML-KBAYOESNSA-N 2 1 313.445 1.749 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001221945229 880163137 /nfs/dbraw/zinc/16/31/37/880163137.db2.gz JPRNRHZXQFPPPF-BRWVUGGUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945229 880163144 /nfs/dbraw/zinc/16/31/44/880163144.db2.gz JPRNRHZXQFPPPF-BRWVUGGUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001221945229 880163151 /nfs/dbraw/zinc/16/31/51/880163151.db2.gz JPRNRHZXQFPPPF-BRWVUGGUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001276931030 881146262 /nfs/dbraw/zinc/14/62/62/881146262.db2.gz JRQORDPSUJJDOE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001276931030 881146270 /nfs/dbraw/zinc/14/62/70/881146270.db2.gz JRQORDPSUJJDOE-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001280872305 885996263 /nfs/dbraw/zinc/99/62/63/885996263.db2.gz FYACJSAJWAZOSU-DLBZAZTESA-N 2 1 307.482 1.910 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001234215721 887753267 /nfs/dbraw/zinc/75/32/67/887753267.db2.gz OZGYTQMXPQTOAJ-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001234215721 887753278 /nfs/dbraw/zinc/75/32/78/887753278.db2.gz OZGYTQMXPQTOAJ-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234215721 887753287 /nfs/dbraw/zinc/75/32/87/887753287.db2.gz OZGYTQMXPQTOAJ-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001234215721 887753302 /nfs/dbraw/zinc/75/33/02/887753302.db2.gz OZGYTQMXPQTOAJ-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1Cc2ccccc2C1 ZINC001246309619 892531542 /nfs/dbraw/zinc/53/15/42/892531542.db2.gz VQQYRWYQMKNJDG-KRWDZBQOSA-N 2 1 302.418 1.970 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366290532 893042645 /nfs/dbraw/zinc/04/26/45/893042645.db2.gz FLLKDAFIHQGGQM-PBHICJAKSA-N 2 1 314.433 1.637 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001254347029 896379750 /nfs/dbraw/zinc/37/97/50/896379750.db2.gz XAROUDYVJDQIKJ-UHFFFAOYSA-N 2 1 305.397 1.783 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001254347029 896379766 /nfs/dbraw/zinc/37/97/66/896379766.db2.gz XAROUDYVJDQIKJ-UHFFFAOYSA-N 2 1 305.397 1.783 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001263161032 900519861 /nfs/dbraw/zinc/51/98/61/900519861.db2.gz UJSRGXRJNBSJCO-ARFHVFGLSA-N 2 1 321.465 1.430 20 30 DDEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001264110356 900944313 /nfs/dbraw/zinc/94/43/13/900944313.db2.gz VBMCOVWYEXNUES-UHFFFAOYSA-N 2 1 323.481 1.147 20 30 DDEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001264480517 901142726 /nfs/dbraw/zinc/14/27/26/901142726.db2.gz ZMUYQUPSZZQOOI-JKSUJKDBSA-N 2 1 316.449 1.904 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001265675155 902288004 /nfs/dbraw/zinc/28/80/04/902288004.db2.gz BKOZNRNMFBGJCQ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001265987173 902713229 /nfs/dbraw/zinc/71/32/29/902713229.db2.gz UXSBFNVLVFMMNY-OYROCLPXSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001265987173 902713239 /nfs/dbraw/zinc/71/32/39/902713239.db2.gz UXSBFNVLVFMMNY-OYROCLPXSA-N 2 1 309.841 1.275 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266206892 903110141 /nfs/dbraw/zinc/11/01/41/903110141.db2.gz BSCQMVKGVTUNIU-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266206892 903110145 /nfs/dbraw/zinc/11/01/45/903110145.db2.gz BSCQMVKGVTUNIU-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266206892 903110153 /nfs/dbraw/zinc/11/01/53/903110153.db2.gz BSCQMVKGVTUNIU-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266206892 903110164 /nfs/dbraw/zinc/11/01/64/903110164.db2.gz BSCQMVKGVTUNIU-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001392689419 904913298 /nfs/dbraw/zinc/91/32/98/904913298.db2.gz NJQPTCZLNUDXFE-GFCCVEGCSA-N 2 1 308.451 1.508 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)CC[NH+](C)C ZINC001392689419 904913315 /nfs/dbraw/zinc/91/33/15/904913315.db2.gz NJQPTCZLNUDXFE-GFCCVEGCSA-N 2 1 308.451 1.508 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001392925717 905709264 /nfs/dbraw/zinc/70/92/64/905709264.db2.gz QANMDGLXVLKYLF-MRXNPFEDSA-N 2 1 312.417 1.391 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccccc2C#N)CC1 ZINC001392925717 905709269 /nfs/dbraw/zinc/70/92/69/905709269.db2.gz QANMDGLXVLKYLF-MRXNPFEDSA-N 2 1 312.417 1.391 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCC1 ZINC001282402927 905749547 /nfs/dbraw/zinc/74/95/47/905749547.db2.gz RYAILRKBJGMNNI-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCC1 ZINC001282402927 905749551 /nfs/dbraw/zinc/74/95/51/905749551.db2.gz RYAILRKBJGMNNI-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1 ZINC001282402927 905749559 /nfs/dbraw/zinc/74/95/59/905749559.db2.gz RYAILRKBJGMNNI-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001282402927 905749567 /nfs/dbraw/zinc/74/95/67/905749567.db2.gz RYAILRKBJGMNNI-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001283003913 906448761 /nfs/dbraw/zinc/44/87/61/906448761.db2.gz RIZYCQSJESCXOV-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001284087402 908455820 /nfs/dbraw/zinc/45/58/20/908455820.db2.gz OUXJBVUDKQJFEC-RYQLBKOJSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001284154389 908559351 /nfs/dbraw/zinc/55/93/51/908559351.db2.gz OFUAYGPCIBXFEY-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001284154389 908559357 /nfs/dbraw/zinc/55/93/57/908559357.db2.gz OFUAYGPCIBXFEY-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001284618363 909263726 /nfs/dbraw/zinc/26/37/26/909263726.db2.gz LLGTXZSBHHVSJC-HRCADAONSA-N 2 1 307.482 1.861 20 30 DDEDMP OCCC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](CCCO)C2)C1 ZINC000452126986 231312288 /nfs/dbraw/zinc/31/22/88/231312288.db2.gz VIFIFGQOZMUOKL-ROUUACIJSA-N 2 1 308.466 1.179 20 30 DDEDMP CN(CC[C@@H]1CCCC[N@@H+]1C)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330253047 529929217 /nfs/dbraw/zinc/92/92/17/529929217.db2.gz AKIYDCBPPKBFNL-CABCVRRESA-N 2 1 319.453 1.918 20 30 DDEDMP CN(CC[C@@H]1CCCC[N@H+]1C)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330253047 529929218 /nfs/dbraw/zinc/92/92/18/529929218.db2.gz AKIYDCBPPKBFNL-CABCVRRESA-N 2 1 319.453 1.918 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCc2ccccc21 ZINC000088637890 353758055 /nfs/dbraw/zinc/75/80/55/353758055.db2.gz SOWAXCBLAPSBGD-MRXNPFEDSA-N 2 1 315.465 1.260 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185731490 354282251 /nfs/dbraw/zinc/28/22/51/354282251.db2.gz RKAWGKAZPSFRHR-ZIAGYGMSSA-N 2 1 322.453 1.241 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185731490 354282254 /nfs/dbraw/zinc/28/22/54/354282254.db2.gz RKAWGKAZPSFRHR-ZIAGYGMSSA-N 2 1 322.453 1.241 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2CC)CC1 ZINC000581176218 354731255 /nfs/dbraw/zinc/73/12/55/354731255.db2.gz DFLFYYFPZWJALX-INIZCTEOSA-N 2 1 308.470 1.763 20 30 DDEDMP C[C@@H]([NH3+])CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000591361077 355301875 /nfs/dbraw/zinc/30/18/75/355301875.db2.gz ATMIXUJEPHSMHW-CQSZACIVSA-N 2 1 315.421 1.123 20 30 DDEDMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000592185121 355528544 /nfs/dbraw/zinc/52/85/44/355528544.db2.gz SHRAADRBUFDRKF-IRXDYDNUSA-N 2 1 314.433 1.740 20 30 DDEDMP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000596653485 356943428 /nfs/dbraw/zinc/94/34/28/356943428.db2.gz KZVCBSGRNGUOIX-HNNXBMFYSA-N 2 1 309.373 1.680 20 30 DDEDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599385143 357917706 /nfs/dbraw/zinc/91/77/06/357917706.db2.gz HAQPLFDPMDLCNB-HOTGVXAUSA-N 2 1 309.454 1.474 20 30 DDEDMP CC(C)c1[nH+]ccn1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000602082347 358804723 /nfs/dbraw/zinc/80/47/23/358804723.db2.gz KZZBPMLBHNJPLV-UHFFFAOYSA-N 2 1 305.426 1.700 20 30 DDEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000602551496 359041159 /nfs/dbraw/zinc/04/11/59/359041159.db2.gz OROYMFXNPHGYIC-DLBZAZTESA-N 2 1 323.481 1.912 20 30 DDEDMP C[NH+](C)CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000121670951 195326980 /nfs/dbraw/zinc/32/69/80/195326980.db2.gz YYMXGWQZDTUZIC-QGZVFWFLSA-N 2 1 314.433 1.748 20 30 DDEDMP C#CCCOc1ccc(C[N@H+](CCO)C2CCN(C)CC2)cc1 ZINC000269375715 408287371 /nfs/dbraw/zinc/28/73/71/408287371.db2.gz VQOCBPNCXFTKPK-UHFFFAOYSA-N 2 1 316.445 1.977 20 30 DDEDMP C#CCCOc1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1 ZINC000269375715 408287375 /nfs/dbraw/zinc/28/73/75/408287375.db2.gz VQOCBPNCXFTKPK-UHFFFAOYSA-N 2 1 316.445 1.977 20 30 DDEDMP C[NH+](C)CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278589194 409085064 /nfs/dbraw/zinc/08/50/64/409085064.db2.gz GSCAAQDKYLMRBU-UHFFFAOYSA-N 2 1 312.421 1.900 20 30 DDEDMP CN(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329513661 410338529 /nfs/dbraw/zinc/33/85/29/410338529.db2.gz CQHGBWOFDLGQAT-JKXDFHQYSA-N 2 1 317.437 1.669 20 30 DDEDMP CN(C([O-])=[NH+][C@@H]1CCn2ccnc2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329513661 410338536 /nfs/dbraw/zinc/33/85/36/410338536.db2.gz CQHGBWOFDLGQAT-JKXDFHQYSA-N 2 1 317.437 1.669 20 30 DDEDMP CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329513661 410338542 /nfs/dbraw/zinc/33/85/42/410338542.db2.gz CQHGBWOFDLGQAT-JKXDFHQYSA-N 2 1 317.437 1.669 20 30 DDEDMP CN(C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329513661 410338548 /nfs/dbraw/zinc/33/85/48/410338548.db2.gz CQHGBWOFDLGQAT-JKXDFHQYSA-N 2 1 317.437 1.669 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000355395567 410492821 /nfs/dbraw/zinc/49/28/21/410492821.db2.gz DTICAFCJKBCTJM-OAHLLOKOSA-N 2 1 308.470 1.763 20 30 DDEDMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCn3ccnc3C2)C[C@@H]1C ZINC000330194165 410581167 /nfs/dbraw/zinc/58/11/67/410581167.db2.gz OOUSLZNTSNBQRK-MELADBBJSA-N 2 1 305.426 1.526 20 30 DDEDMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CCn3ccnc3C2)C[C@@H]1C ZINC000330194165 410581173 /nfs/dbraw/zinc/58/11/73/410581173.db2.gz OOUSLZNTSNBQRK-MELADBBJSA-N 2 1 305.426 1.526 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374076148 418486614 /nfs/dbraw/zinc/48/66/14/418486614.db2.gz ZSJIICDTBGUNMJ-AWEZNQCLSA-N 2 1 322.453 1.195 20 30 DDEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191471644 222103902 /nfs/dbraw/zinc/10/39/02/222103902.db2.gz NCLPSWBOXJKLMJ-UHFFFAOYSA-N 2 1 321.425 1.169 20 30 DDEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191471644 222103905 /nfs/dbraw/zinc/10/39/05/222103905.db2.gz NCLPSWBOXJKLMJ-UHFFFAOYSA-N 2 1 321.425 1.169 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCS[C@@H](C(C)C)C1 ZINC000261653292 222252538 /nfs/dbraw/zinc/25/25/38/222252538.db2.gz AFRJOWOUHYEBAB-CQSZACIVSA-N 2 1 309.483 1.840 20 30 DDEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCS[C@H](C(C)C)C1 ZINC000261712888 222255846 /nfs/dbraw/zinc/25/58/46/222255846.db2.gz HLNXWJXYSUWNQV-KBPBESRZSA-N 2 1 300.516 1.975 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N(C)C[C@H]1CCOC1 ZINC000261742802 222256732 /nfs/dbraw/zinc/25/67/32/222256732.db2.gz ZXLUELUOUWZCOE-HRCADAONSA-N 2 1 310.486 1.793 20 30 DDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCS[C@@H](CC)C1 ZINC000261764461 222256875 /nfs/dbraw/zinc/25/68/75/222256875.db2.gz DGEYLRFWPOBLDC-AWEZNQCLSA-N 2 1 309.483 1.984 20 30 DDEDMP CC[NH+]=C(NCc1cnc(C)s1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261792682 222257566 /nfs/dbraw/zinc/25/75/66/222257566.db2.gz QOEDZMYVPYENEP-NHYWBVRUSA-N 2 1 321.494 1.989 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N(C)C ZINC000264146027 222325031 /nfs/dbraw/zinc/32/50/31/222325031.db2.gz XWFJWARCJJKDIM-DLBZAZTESA-N 2 1 317.481 1.678 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCC#N)cc1 ZINC000264299456 222330737 /nfs/dbraw/zinc/33/07/37/222330737.db2.gz RNXGLHKCUQHQKT-HNNXBMFYSA-N 2 1 315.421 1.478 20 30 DDEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000262308359 222275615 /nfs/dbraw/zinc/27/56/15/222275615.db2.gz PEFRGKLGTYDTQG-QGZVFWFLSA-N 2 1 302.422 1.359 20 30 DDEDMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)Nc1ccc2c(c1)CCC2 ZINC000263091428 222302704 /nfs/dbraw/zinc/30/27/04/222302704.db2.gz IXCHXQPIMGWSFU-UHFFFAOYSA-N 2 1 302.422 1.359 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000264066147 222312304 /nfs/dbraw/zinc/31/23/04/222312304.db2.gz FBKRPHFMATVMIX-UHFFFAOYSA-N 2 1 304.438 1.579 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)ccc1OC ZINC000264079350 222314709 /nfs/dbraw/zinc/31/47/09/222314709.db2.gz IFCYSUXPPPUFFB-AWEZNQCLSA-N 2 1 320.437 1.592 20 30 DDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264093230 222316789 /nfs/dbraw/zinc/31/67/89/222316789.db2.gz LIKYEIVADDWAOL-OAHLLOKOSA-N 2 1 304.438 1.417 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccsc1 ZINC000267436207 222385539 /nfs/dbraw/zinc/38/55/39/222385539.db2.gz NWRSYKDFPDUANZ-ZFWWWQNUSA-N 2 1 310.467 1.344 20 30 DDEDMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758324 418758564 /nfs/dbraw/zinc/75/85/64/418758564.db2.gz VWHFDVSHEHKZEW-SJLPKXTDSA-N 2 1 315.417 1.326 20 30 DDEDMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758324 418758565 /nfs/dbraw/zinc/75/85/65/418758565.db2.gz VWHFDVSHEHKZEW-SJLPKXTDSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758324 418758567 /nfs/dbraw/zinc/75/85/67/418758567.db2.gz VWHFDVSHEHKZEW-SJLPKXTDSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758324 418758569 /nfs/dbraw/zinc/75/85/69/418758569.db2.gz VWHFDVSHEHKZEW-SJLPKXTDSA-N 2 1 315.417 1.326 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000378525729 418723833 /nfs/dbraw/zinc/72/38/33/418723833.db2.gz HNLWVAHJRCJEJR-GOEBONIOSA-N 2 1 306.454 1.372 20 30 DDEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451569787 420603226 /nfs/dbraw/zinc/60/32/26/420603226.db2.gz OPASCGMYWWJJDL-USTZCAOPSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451569787 420603228 /nfs/dbraw/zinc/60/32/28/420603228.db2.gz OPASCGMYWWJJDL-USTZCAOPSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451569787 420603233 /nfs/dbraw/zinc/60/32/33/420603233.db2.gz OPASCGMYWWJJDL-USTZCAOPSA-N 2 1 308.466 1.703 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000530334787 421594357 /nfs/dbraw/zinc/59/43/57/421594357.db2.gz WQLDPYPYUCUWPO-CABCVRRESA-N 2 1 306.454 1.744 20 30 DDEDMP Cc1[nH+]cc2n1C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2 ZINC000571291329 421704307 /nfs/dbraw/zinc/70/43/07/421704307.db2.gz VSMKPWBUYYDCBS-OAHLLOKOSA-N 2 1 317.437 1.448 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000519644843 421712979 /nfs/dbraw/zinc/71/29/79/421712979.db2.gz ZPPFMNONPVAYJH-KRWDZBQOSA-N 2 1 304.434 1.975 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCCC1(C#N)CCOCC1)CCO2 ZINC000592185267 422331302 /nfs/dbraw/zinc/33/13/02/422331302.db2.gz WMGWGZRXMJNGPG-UHFFFAOYSA-N 2 1 321.465 1.884 20 30 DDEDMP N#CCNC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310033300 333216290 /nfs/dbraw/zinc/21/62/90/333216290.db2.gz YZDPGZPYIFZAKO-DLBZAZTESA-N 2 1 312.417 1.080 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000491661017 526811573 /nfs/dbraw/zinc/81/15/73/526811573.db2.gz AIDONMFWHGQBHQ-SJORKVTESA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000491661017 526811576 /nfs/dbraw/zinc/81/15/76/526811576.db2.gz AIDONMFWHGQBHQ-SJORKVTESA-N 2 1 320.481 1.598 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000491661017 526811580 /nfs/dbraw/zinc/81/15/80/526811580.db2.gz AIDONMFWHGQBHQ-SJORKVTESA-N 2 1 320.481 1.598 20 30 DDEDMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347013350 526865263 /nfs/dbraw/zinc/86/52/63/526865263.db2.gz HYSFOQMZIYNJTG-MRXNPFEDSA-N 2 1 317.433 1.538 20 30 DDEDMP C#CCN(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491416245 526886475 /nfs/dbraw/zinc/88/64/75/526886475.db2.gz JZOPUTQDSQNRNZ-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C#C[C@@H](C)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000491779631 527212842 /nfs/dbraw/zinc/21/28/42/527212842.db2.gz CULTVXIDTATZFZ-MRXNPFEDSA-N 2 1 313.445 1.852 20 30 DDEDMP C#C[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000491779631 527212849 /nfs/dbraw/zinc/21/28/49/527212849.db2.gz CULTVXIDTATZFZ-MRXNPFEDSA-N 2 1 313.445 1.852 20 30 DDEDMP CCOC1CC([NH+](C)CC#CC[N@H+](C)C2CC(OCC)C2)C1 ZINC000347445083 528508873 /nfs/dbraw/zinc/50/88/73/528508873.db2.gz HLVXGMMPXNEWEJ-UHFFFAOYSA-N 2 1 308.466 1.988 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC000972700065 695319009 /nfs/dbraw/zinc/31/90/09/695319009.db2.gz CLPXOYFJKKJGHH-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972700065 695319011 /nfs/dbraw/zinc/31/90/11/695319011.db2.gz CLPXOYFJKKJGHH-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC000972700065 695319013 /nfs/dbraw/zinc/31/90/13/695319013.db2.gz CLPXOYFJKKJGHH-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992865 695390013 /nfs/dbraw/zinc/39/00/13/695390013.db2.gz VGOVRJWIWJJNTB-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992865 695390015 /nfs/dbraw/zinc/39/00/15/695390015.db2.gz VGOVRJWIWJJNTB-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992865 695390016 /nfs/dbraw/zinc/39/00/16/695390016.db2.gz VGOVRJWIWJJNTB-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992865 695390018 /nfs/dbraw/zinc/39/00/18/695390018.db2.gz VGOVRJWIWJJNTB-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC000980080891 696684715 /nfs/dbraw/zinc/68/47/15/696684715.db2.gz CEWNRHVVRKCNGH-BBWFWOEESA-N 2 1 315.461 1.465 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980141039 696690630 /nfs/dbraw/zinc/69/06/30/696690630.db2.gz JTHCILQRMYNCTI-ULQDDVLXSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980141039 696690632 /nfs/dbraw/zinc/69/06/32/696690632.db2.gz JTHCILQRMYNCTI-ULQDDVLXSA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772652 696910282 /nfs/dbraw/zinc/91/02/82/696910282.db2.gz YSKRRPACAQFOPN-KRWDZBQOSA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC000981801236 696921587 /nfs/dbraw/zinc/92/15/87/696921587.db2.gz RGZMWICMRRWCRP-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801236 696921589 /nfs/dbraw/zinc/92/15/89/696921589.db2.gz RGZMWICMRRWCRP-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC000981801236 696921591 /nfs/dbraw/zinc/92/15/91/696921591.db2.gz RGZMWICMRRWCRP-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC000981861218 696945161 /nfs/dbraw/zinc/94/51/61/696945161.db2.gz HLPMZOIESBTYSJ-UHFFFAOYSA-N 2 1 322.412 1.814 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000981894022 696959557 /nfs/dbraw/zinc/95/95/57/696959557.db2.gz XGAYIZNYFMDMET-UHFFFAOYSA-N 2 1 308.385 1.506 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982161923 697046013 /nfs/dbraw/zinc/04/60/13/697046013.db2.gz DLUJNSASPJCMCY-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982161923 697046014 /nfs/dbraw/zinc/04/60/14/697046014.db2.gz DLUJNSASPJCMCY-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982161923 697046016 /nfs/dbraw/zinc/04/60/16/697046016.db2.gz DLUJNSASPJCMCY-IYBDPMFKSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438023 697097377 /nfs/dbraw/zinc/09/73/77/697097377.db2.gz IISIPCLKGMTOSG-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438023 697097381 /nfs/dbraw/zinc/09/73/81/697097381.db2.gz IISIPCLKGMTOSG-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438023 697097383 /nfs/dbraw/zinc/09/73/83/697097383.db2.gz IISIPCLKGMTOSG-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982556519 697149716 /nfs/dbraw/zinc/14/97/16/697149716.db2.gz HBBBAPDLLCFILX-AHCXZYCDSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982556519 697149717 /nfs/dbraw/zinc/14/97/17/697149717.db2.gz HBBBAPDLLCFILX-AHCXZYCDSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982556519 697149719 /nfs/dbraw/zinc/14/97/19/697149719.db2.gz HBBBAPDLLCFILX-AHCXZYCDSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982821856 697182149 /nfs/dbraw/zinc/18/21/49/697182149.db2.gz VFZLANFDHBSZBE-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@]2(C)C1 ZINC000982821856 697182150 /nfs/dbraw/zinc/18/21/50/697182150.db2.gz VFZLANFDHBSZBE-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982821856 697182151 /nfs/dbraw/zinc/18/21/51/697182151.db2.gz VFZLANFDHBSZBE-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@]2(C)C1 ZINC000982821856 697182152 /nfs/dbraw/zinc/18/21/52/697182152.db2.gz VFZLANFDHBSZBE-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C(=NNCCC[NH+]1CCOCC1)c1ccc(N2CCCCC2)o1 ZINC000799487239 700144668 /nfs/dbraw/zinc/14/46/68/700144668.db2.gz HRJQDCOIYRKNCT-UHFFFAOYSA-N 2 1 320.437 1.916 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)cc1 ZINC000170905115 697351974 /nfs/dbraw/zinc/35/19/74/697351974.db2.gz VCRMAYCVIBHEKE-OAHLLOKOSA-N 2 1 318.421 1.362 20 30 DDEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000985514476 697523364 /nfs/dbraw/zinc/52/33/64/697523364.db2.gz LJGZTFYIKDHLMG-UHFFFAOYSA-N 2 1 320.437 1.849 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000985514476 697523367 /nfs/dbraw/zinc/52/33/67/697523367.db2.gz LJGZTFYIKDHLMG-UHFFFAOYSA-N 2 1 320.437 1.849 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[NH+]3CCN(CC#N)CC3)cc2)CC1 ZINC000775674422 698021585 /nfs/dbraw/zinc/02/15/85/698021585.db2.gz AAARDAKMHMVSBG-UHFFFAOYSA-N 2 1 313.449 1.080 20 30 DDEDMP CCNC(NCc1ccc(C[NH+]2CCOCC2)cc1)=[NH+]CC ZINC000303257570 698603837 /nfs/dbraw/zinc/60/38/37/698603837.db2.gz JPFPJVGXKVOBSP-UHFFFAOYSA-N 2 1 304.438 1.594 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CC(C)C ZINC000304763639 698624955 /nfs/dbraw/zinc/62/49/55/698624955.db2.gz XBDZWSWBGJQCEM-AWEZNQCLSA-N 2 1 306.458 1.428 20 30 DDEDMP CCc1nn(C)c(CC)c1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000305303806 698644652 /nfs/dbraw/zinc/64/46/52/698644652.db2.gz IDGYZZLISORXCQ-ZDUSSCGKSA-N 2 1 320.485 1.434 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC000990612216 699107492 /nfs/dbraw/zinc/10/74/92/699107492.db2.gz HAXRUJDDZWQCDT-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@H]12 ZINC000990612216 699107494 /nfs/dbraw/zinc/10/74/94/699107494.db2.gz HAXRUJDDZWQCDT-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@H]12 ZINC000990612216 699107495 /nfs/dbraw/zinc/10/74/95/699107495.db2.gz HAXRUJDDZWQCDT-JENIJYKNSA-N 2 1 317.477 1.996 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000801916109 700352581 /nfs/dbraw/zinc/35/25/81/700352581.db2.gz RNJJAVBNQLOXBC-YESZJQIVSA-N 2 1 308.470 1.405 20 30 DDEDMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCCC3N=NC2=[NH+]CCN2)cc1 ZINC000841662025 702523352 /nfs/dbraw/zinc/52/33/52/702523352.db2.gz VKIIUNLBKHQVIU-CVEARBPZSA-N 2 1 311.433 1.823 20 30 DDEDMP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCCC3N=NC2=[NH+]CCN2)cc1 ZINC000841662025 702523357 /nfs/dbraw/zinc/52/33/57/702523357.db2.gz VKIIUNLBKHQVIU-CVEARBPZSA-N 2 1 311.433 1.823 20 30 DDEDMP C#CCOc1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000843431516 702880435 /nfs/dbraw/zinc/88/04/35/702880435.db2.gz FZXFILHOGMLUAB-UHFFFAOYSA-N 2 1 314.429 1.995 20 30 DDEDMP C#CCOc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000843431516 702880437 /nfs/dbraw/zinc/88/04/37/702880437.db2.gz FZXFILHOGMLUAB-UHFFFAOYSA-N 2 1 314.429 1.995 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000879577006 706724699 /nfs/dbraw/zinc/72/46/99/706724699.db2.gz ZJDDMYGAHLVPST-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000879577006 706724702 /nfs/dbraw/zinc/72/47/02/706724702.db2.gz ZJDDMYGAHLVPST-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000879577006 706724704 /nfs/dbraw/zinc/72/47/04/706724704.db2.gz ZJDDMYGAHLVPST-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000879577006 706724706 /nfs/dbraw/zinc/72/47/06/706724706.db2.gz ZJDDMYGAHLVPST-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[N@@H+](C)C1CC1 ZINC000876750595 705857027 /nfs/dbraw/zinc/85/70/27/705857027.db2.gz IVWDOJDFQBXUCK-SJCJKPOMSA-N 2 1 312.417 1.344 20 30 DDEDMP C[C@@H]1C[C@@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000876764236 705864605 /nfs/dbraw/zinc/86/46/05/705864605.db2.gz MBPNQVQAOYUBDZ-PVUWLOKVSA-N 2 1 312.417 1.344 20 30 DDEDMP C#C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCOCC1 ZINC000827554252 706025762 /nfs/dbraw/zinc/02/57/62/706025762.db2.gz BVQQEQANKCWEKA-MSOLQXFVSA-N 2 1 306.450 1.648 20 30 DDEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000877917325 706240734 /nfs/dbraw/zinc/24/07/34/706240734.db2.gz STEOOYGZCIMKFU-UHFFFAOYSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000877917325 706240738 /nfs/dbraw/zinc/24/07/38/706240738.db2.gz STEOOYGZCIMKFU-UHFFFAOYSA-N 2 1 301.434 1.885 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000884037815 708112574 /nfs/dbraw/zinc/11/25/74/708112574.db2.gz NBGUQXPMGDLXOE-HNNXBMFYSA-N 2 1 304.438 1.010 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000884037815 708112576 /nfs/dbraw/zinc/11/25/76/708112576.db2.gz NBGUQXPMGDLXOE-HNNXBMFYSA-N 2 1 304.438 1.010 20 30 DDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884218967 708195902 /nfs/dbraw/zinc/19/59/02/708195902.db2.gz DIWAGJUXHSLIGC-JBCIKUTRSA-N 2 1 318.465 1.220 20 30 DDEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000886364015 708749861 /nfs/dbraw/zinc/74/98/61/708749861.db2.gz MDORCLCYCVBYNO-SJLPKXTDSA-N 2 1 313.445 1.751 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000900418320 709585866 /nfs/dbraw/zinc/58/58/66/709585866.db2.gz OPFRFHSBNHHCLK-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000890378062 709847585 /nfs/dbraw/zinc/84/75/85/709847585.db2.gz SZQPOOJDNILPJH-MRXNPFEDSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000890378062 709847590 /nfs/dbraw/zinc/84/75/90/709847590.db2.gz SZQPOOJDNILPJH-MRXNPFEDSA-N 2 1 306.454 1.067 20 30 DDEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000903459699 711133172 /nfs/dbraw/zinc/13/31/72/711133172.db2.gz XGKGXIMGEHAGED-ZBCRRDGASA-N 2 1 302.426 1.704 20 30 DDEDMP C=C(C)CNC(NC[C@@H](C)CN1CC[NH+](C)CC1)=[NH+]C(C)(C)C ZINC000912499257 711353637 /nfs/dbraw/zinc/35/36/37/711353637.db2.gz OJHBWBFGWCJWNA-MRXNPFEDSA-N 2 1 323.529 1.780 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000907808143 712629323 /nfs/dbraw/zinc/62/93/23/712629323.db2.gz QLOALOZXQORDAJ-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000914341256 713381512 /nfs/dbraw/zinc/38/15/12/713381512.db2.gz NBWKYRYGCHBXMG-CVEARBPZSA-N 2 1 320.481 1.504 20 30 DDEDMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC000922387918 714036424 /nfs/dbraw/zinc/03/64/24/714036424.db2.gz MOKZIKQWXDFUMS-VQHPVUNQSA-N 2 1 303.406 1.721 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000960303298 716485458 /nfs/dbraw/zinc/48/54/58/716485458.db2.gz GTKRCFLOVBEENV-POZUXBRTSA-N 2 1 311.429 1.476 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838492 716984593 /nfs/dbraw/zinc/98/45/93/716984593.db2.gz HOGFSBNMPPQPBM-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838492 716984596 /nfs/dbraw/zinc/98/45/96/716984596.db2.gz HOGFSBNMPPQPBM-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838492 716984597 /nfs/dbraw/zinc/98/45/97/716984597.db2.gz HOGFSBNMPPQPBM-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940838492 716984599 /nfs/dbraw/zinc/98/45/99/716984599.db2.gz HOGFSBNMPPQPBM-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026464 717078727 /nfs/dbraw/zinc/07/87/27/717078727.db2.gz KMAONTWSRPJBKP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026464 717078728 /nfs/dbraw/zinc/07/87/28/717078728.db2.gz KMAONTWSRPJBKP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941026464 717078732 /nfs/dbraw/zinc/07/87/32/717078732.db2.gz KMAONTWSRPJBKP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941229472 717134521 /nfs/dbraw/zinc/13/45/21/717134521.db2.gz APJGXDAMGWETCU-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941229472 717134524 /nfs/dbraw/zinc/13/45/24/717134524.db2.gz APJGXDAMGWETCU-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941229472 717134525 /nfs/dbraw/zinc/13/45/25/717134525.db2.gz APJGXDAMGWETCU-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229472 717134529 /nfs/dbraw/zinc/13/45/29/717134529.db2.gz APJGXDAMGWETCU-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229472 717134531 /nfs/dbraw/zinc/13/45/31/717134531.db2.gz APJGXDAMGWETCU-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC000961943726 717257054 /nfs/dbraw/zinc/25/70/54/717257054.db2.gz IGYKWMBZBHCRAL-TWMKSMIVSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC000961943726 717257058 /nfs/dbraw/zinc/25/70/58/717257058.db2.gz IGYKWMBZBHCRAL-TWMKSMIVSA-N 2 1 303.450 1.319 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000961943726 717257060 /nfs/dbraw/zinc/25/70/60/717257060.db2.gz IGYKWMBZBHCRAL-TWMKSMIVSA-N 2 1 303.450 1.319 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000962271992 717382663 /nfs/dbraw/zinc/38/26/63/717382663.db2.gz OXKGWCOMHTVJIQ-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962271992 717382668 /nfs/dbraw/zinc/38/26/68/717382668.db2.gz OXKGWCOMHTVJIQ-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962271992 717382670 /nfs/dbraw/zinc/38/26/70/717382670.db2.gz OXKGWCOMHTVJIQ-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558173 717744767 /nfs/dbraw/zinc/74/47/67/717744767.db2.gz SLUFRPYUXDGHNT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000943287921 718067341 /nfs/dbraw/zinc/06/73/41/718067341.db2.gz LKLFIFZPKFUGBY-WBVHZDCISA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000943877090 718213932 /nfs/dbraw/zinc/21/39/32/718213932.db2.gz MBMWSUYCMVSIEQ-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595015 718846501 /nfs/dbraw/zinc/84/65/01/718846501.db2.gz DXQDDORHNXKFRT-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595015 718846503 /nfs/dbraw/zinc/84/65/03/718846503.db2.gz DXQDDORHNXKFRT-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595015 718846505 /nfs/dbraw/zinc/84/65/05/718846505.db2.gz DXQDDORHNXKFRT-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C#N)c2c1CC[NH2+]C2 ZINC001164685865 719604884 /nfs/dbraw/zinc/60/48/84/719604884.db2.gz WXWDPTURFUITHJ-UHFFFAOYSA-N 2 1 310.405 1.625 20 30 DDEDMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C#N)c2c1CC[NH2+]C2 ZINC001164685865 719604887 /nfs/dbraw/zinc/60/48/87/719604887.db2.gz WXWDPTURFUITHJ-UHFFFAOYSA-N 2 1 310.405 1.625 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517638 719637653 /nfs/dbraw/zinc/63/76/53/719637653.db2.gz QBDYJXCUFFXABQ-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517638 719637656 /nfs/dbraw/zinc/63/76/56/719637656.db2.gz QBDYJXCUFFXABQ-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968797434 719792658 /nfs/dbraw/zinc/79/26/58/719792658.db2.gz XDSSAOGLCLMENX-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968797434 719792662 /nfs/dbraw/zinc/79/26/62/719792662.db2.gz XDSSAOGLCLMENX-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797434 719792664 /nfs/dbraw/zinc/79/26/64/719792664.db2.gz XDSSAOGLCLMENX-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968797434 719792668 /nfs/dbraw/zinc/79/26/68/719792668.db2.gz XDSSAOGLCLMENX-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949317012 720013381 /nfs/dbraw/zinc/01/33/81/720013381.db2.gz DOLYDGFOORIMPM-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949317012 720013387 /nfs/dbraw/zinc/01/33/87/720013387.db2.gz DOLYDGFOORIMPM-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949317012 720013390 /nfs/dbraw/zinc/01/33/90/720013390.db2.gz DOLYDGFOORIMPM-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(CC)CC)C1 ZINC000969864839 720540629 /nfs/dbraw/zinc/54/06/29/720540629.db2.gz GPPQTYIRGHCYID-QAPCUYQASA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC(CC)CC)C1 ZINC000969864839 720540631 /nfs/dbraw/zinc/54/06/31/720540631.db2.gz GPPQTYIRGHCYID-QAPCUYQASA-N 2 1 319.493 1.957 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC000970712779 720903252 /nfs/dbraw/zinc/90/32/52/720903252.db2.gz RVBHELYYKAUDEU-DLBZAZTESA-N 2 1 312.417 1.200 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023757721 735442254 /nfs/dbraw/zinc/44/22/54/735442254.db2.gz NHSPREPTXZABPT-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757721 735442259 /nfs/dbraw/zinc/44/22/59/735442259.db2.gz NHSPREPTXZABPT-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757721 735442261 /nfs/dbraw/zinc/44/22/61/735442261.db2.gz NHSPREPTXZABPT-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023757721 735442266 /nfs/dbraw/zinc/44/22/66/735442266.db2.gz NHSPREPTXZABPT-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001027685514 738549732 /nfs/dbraw/zinc/54/97/32/738549732.db2.gz NQDROJOWPOUQND-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001039133198 732842924 /nfs/dbraw/zinc/84/29/24/732842924.db2.gz RAAXXLSXGFMDPU-KBAYOESNSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039133198 732842928 /nfs/dbraw/zinc/84/29/28/732842928.db2.gz RAAXXLSXGFMDPU-KBAYOESNSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001039133198 732842934 /nfs/dbraw/zinc/84/29/34/732842934.db2.gz RAAXXLSXGFMDPU-KBAYOESNSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001104288069 733166413 /nfs/dbraw/zinc/16/64/13/733166413.db2.gz SFJLRDPNQATFRZ-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737063 733497454 /nfs/dbraw/zinc/49/74/54/733497454.db2.gz QOLKGUYQBQXTDL-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021895777 733648504 /nfs/dbraw/zinc/64/85/04/733648504.db2.gz RDTSKPPLYCKQMT-IXDOHACOSA-N 2 1 312.417 1.389 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372086 735203710 /nfs/dbraw/zinc/20/37/10/735203710.db2.gz MLBXEABEKGPGDT-RDJZCZTQSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023410047 735215224 /nfs/dbraw/zinc/21/52/24/735215224.db2.gz MOSQMWRSDLUATF-QZTJIDSGSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410047 735215226 /nfs/dbraw/zinc/21/52/26/735215226.db2.gz MOSQMWRSDLUATF-QZTJIDSGSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023410047 735215231 /nfs/dbraw/zinc/21/52/31/735215231.db2.gz MOSQMWRSDLUATF-QZTJIDSGSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001023423556 735224459 /nfs/dbraw/zinc/22/44/59/735224459.db2.gz ZFKATCLAQQFQRY-TWZSPHTKSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001023423556 735224463 /nfs/dbraw/zinc/22/44/63/735224463.db2.gz ZFKATCLAQQFQRY-TWZSPHTKSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C/C=C/Cl)C1 ZINC001023423556 735224467 /nfs/dbraw/zinc/22/44/67/735224467.db2.gz ZFKATCLAQQFQRY-TWZSPHTKSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C/C=C/Cl)C1 ZINC001023423556 735224472 /nfs/dbraw/zinc/22/44/72/735224472.db2.gz ZFKATCLAQQFQRY-TWZSPHTKSA-N 2 1 323.868 1.665 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985680 738910892 /nfs/dbraw/zinc/91/08/92/738910892.db2.gz MZTSTAJLSXYOJQ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647389 735999982 /nfs/dbraw/zinc/99/99/82/735999982.db2.gz MMWLVLPQIGWCOP-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647389 735999984 /nfs/dbraw/zinc/99/99/84/735999984.db2.gz MMWLVLPQIGWCOP-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001025274610 736402684 /nfs/dbraw/zinc/40/26/84/736402684.db2.gz LBXCZUQNOQPKKF-CVEARBPZSA-N 2 1 302.422 1.984 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001025293164 736410965 /nfs/dbraw/zinc/41/09/65/736410965.db2.gz AYYVMRVIKVJDIZ-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676459 736509381 /nfs/dbraw/zinc/50/93/81/736509381.db2.gz KVVVKCDWSWYUIO-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025599457 736779388 /nfs/dbraw/zinc/77/93/88/736779388.db2.gz GWXIHJAATFXZFO-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001025630086 736796487 /nfs/dbraw/zinc/79/64/87/736796487.db2.gz OUQKOWVUKKMKHH-WMZOPIPTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026140199 737140119 /nfs/dbraw/zinc/14/01/19/737140119.db2.gz WSBGAQPINMTFKD-DMRKSPOLSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001026361092 737419793 /nfs/dbraw/zinc/41/97/93/737419793.db2.gz OGVYQTXBZZPERD-ARFHVFGLSA-N 2 1 303.450 1.178 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042240 737477214 /nfs/dbraw/zinc/47/72/14/737477214.db2.gz SSWJSWBYDOAMAV-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042240 737477217 /nfs/dbraw/zinc/47/72/17/737477217.db2.gz SSWJSWBYDOAMAV-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2cnccc2OC)C1 ZINC001027462448 738317003 /nfs/dbraw/zinc/31/70/03/738317003.db2.gz YGGFBUGACKBKMU-HNNXBMFYSA-N 2 1 303.406 1.742 20 30 DDEDMP C#CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093001 739024694 /nfs/dbraw/zinc/02/46/94/739024694.db2.gz FURWCZDNLXZXRX-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093001 739024697 /nfs/dbraw/zinc/02/46/97/739024697.db2.gz FURWCZDNLXZXRX-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001028093001 739024703 /nfs/dbraw/zinc/02/47/03/739024703.db2.gz FURWCZDNLXZXRX-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001028093001 739024708 /nfs/dbraw/zinc/02/47/08/739024708.db2.gz FURWCZDNLXZXRX-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001028093001 739024714 /nfs/dbraw/zinc/02/47/14/739024714.db2.gz FURWCZDNLXZXRX-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099981 739035351 /nfs/dbraw/zinc/03/53/51/739035351.db2.gz DFKSXVUPNAMOEQ-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099981 739035356 /nfs/dbraw/zinc/03/53/56/739035356.db2.gz DFKSXVUPNAMOEQ-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254105 739239126 /nfs/dbraw/zinc/23/91/26/739239126.db2.gz NPSMJXMQRSKSFY-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001035377253 751473258 /nfs/dbraw/zinc/47/32/58/751473258.db2.gz XKHKECSETXBVLG-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035377253 751473260 /nfs/dbraw/zinc/47/32/60/751473260.db2.gz XKHKECSETXBVLG-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035377253 751473261 /nfs/dbraw/zinc/47/32/61/751473261.db2.gz XKHKECSETXBVLG-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035377253 751473262 /nfs/dbraw/zinc/47/32/62/751473262.db2.gz XKHKECSETXBVLG-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766602 740012668 /nfs/dbraw/zinc/01/26/68/740012668.db2.gz WPSXDCHBXRNOFR-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766602 740012670 /nfs/dbraw/zinc/01/26/70/740012670.db2.gz WPSXDCHBXRNOFR-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001037872472 751523404 /nfs/dbraw/zinc/52/34/04/751523404.db2.gz KVWSVFPVYNAIRG-DZGCQCFKSA-N 2 1 320.437 1.753 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029001126 740245910 /nfs/dbraw/zinc/24/59/10/740245910.db2.gz PMKHEGKSDADRIP-INIZCTEOSA-N 2 1 301.434 1.986 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700177 740712493 /nfs/dbraw/zinc/71/24/93/740712493.db2.gz DSSWKEDBHAGYFA-BBWFWOEESA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700177 740712495 /nfs/dbraw/zinc/71/24/95/740712495.db2.gz DSSWKEDBHAGYFA-BBWFWOEESA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700177 740712499 /nfs/dbraw/zinc/71/24/99/740712499.db2.gz DSSWKEDBHAGYFA-BBWFWOEESA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700177 740712503 /nfs/dbraw/zinc/71/25/03/740712503.db2.gz DSSWKEDBHAGYFA-BBWFWOEESA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087992439 740933428 /nfs/dbraw/zinc/93/34/28/740933428.db2.gz VSOWHFODLWCGAW-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001088329316 741392390 /nfs/dbraw/zinc/39/23/90/741392390.db2.gz SVRVXAKYJBSXLI-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCF)C1 ZINC001088329316 741392393 /nfs/dbraw/zinc/39/23/93/741392393.db2.gz SVRVXAKYJBSXLI-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620857 742017649 /nfs/dbraw/zinc/01/76/49/742017649.db2.gz FJZPAEPMIGEJKN-ILXRZTDVSA-N 2 1 302.422 1.916 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001088620857 742017654 /nfs/dbraw/zinc/01/76/54/742017654.db2.gz FJZPAEPMIGEJKN-ILXRZTDVSA-N 2 1 302.422 1.916 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076160989 742579422 /nfs/dbraw/zinc/57/94/22/742579422.db2.gz ATUXXANIKJWHHQ-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076160989 742579424 /nfs/dbraw/zinc/57/94/24/742579424.db2.gz ATUXXANIKJWHHQ-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076160989 742579427 /nfs/dbraw/zinc/57/94/27/742579427.db2.gz ATUXXANIKJWHHQ-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076324504 742667170 /nfs/dbraw/zinc/66/71/70/742667170.db2.gz VUPDAKRHGNLFMH-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C[C@H]1C ZINC001181764181 743332748 /nfs/dbraw/zinc/33/27/48/743332748.db2.gz NJPCASVAPNIDBF-ZIFCJYIRSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C[C@H]1C ZINC001181764181 743332753 /nfs/dbraw/zinc/33/27/53/743332753.db2.gz NJPCASVAPNIDBF-ZIFCJYIRSA-N 2 1 315.461 1.182 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398795 743831861 /nfs/dbraw/zinc/83/18/61/743831861.db2.gz HYDAWPYAYKZCKZ-RHSMWYFYSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185170510 744170925 /nfs/dbraw/zinc/17/09/25/744170925.db2.gz QDRGNGBYFUOBML-IRXDYDNUSA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nc[nH]c32)[C@H]1C ZINC001088849328 744208719 /nfs/dbraw/zinc/20/87/19/744208719.db2.gz NBIHSLHNBVXDAU-RDBSUJKOSA-N 2 1 302.422 1.985 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185659117 744264869 /nfs/dbraw/zinc/26/48/69/744264869.db2.gz DLBFLCXGSYHNRW-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897522 744351646 /nfs/dbraw/zinc/35/16/46/744351646.db2.gz MKIOLMUBAAYDGV-ZACQAIPSSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897522 744351650 /nfs/dbraw/zinc/35/16/50/744351650.db2.gz MKIOLMUBAAYDGV-ZACQAIPSSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912615 744362234 /nfs/dbraw/zinc/36/22/34/744362234.db2.gz IHZULMZDORGOHV-ZBFHGGJFSA-N 2 1 319.453 1.213 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001110386458 744471231 /nfs/dbraw/zinc/47/12/31/744471231.db2.gz PWRCWAJCFBKHOT-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386458 744471232 /nfs/dbraw/zinc/47/12/32/744471232.db2.gz PWRCWAJCFBKHOT-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001110386458 744471233 /nfs/dbraw/zinc/47/12/33/744471233.db2.gz PWRCWAJCFBKHOT-LVQVYYBASA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516772 744909506 /nfs/dbraw/zinc/90/95/06/744909506.db2.gz LNRNFTBBNKVJOL-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001189516772 744909507 /nfs/dbraw/zinc/90/95/07/744909507.db2.gz LNRNFTBBNKVJOL-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001189516772 744909509 /nfs/dbraw/zinc/90/95/09/744909509.db2.gz LNRNFTBBNKVJOL-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001189516772 744909511 /nfs/dbraw/zinc/90/95/11/744909511.db2.gz LNRNFTBBNKVJOL-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106432504 745691356 /nfs/dbraw/zinc/69/13/56/745691356.db2.gz UZLSBOHSNKPMGS-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001192406851 745787464 /nfs/dbraw/zinc/78/74/64/745787464.db2.gz NTGMGNBAQCHRLN-GOSISDBHSA-N 2 1 315.461 1.880 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406851 745787468 /nfs/dbraw/zinc/78/74/68/745787468.db2.gz NTGMGNBAQCHRLN-GOSISDBHSA-N 2 1 315.461 1.880 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001192406851 745787471 /nfs/dbraw/zinc/78/74/71/745787471.db2.gz NTGMGNBAQCHRLN-GOSISDBHSA-N 2 1 315.461 1.880 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026142 746256279 /nfs/dbraw/zinc/25/62/79/746256279.db2.gz BPGXWFPJEJBIBU-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421875 746844522 /nfs/dbraw/zinc/84/45/22/746844522.db2.gz ZAMOCXJXTPPUEU-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001003482012 747242614 /nfs/dbraw/zinc/24/26/14/747242614.db2.gz QUTFIBXSYGJBMW-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001089731324 747709898 /nfs/dbraw/zinc/70/98/98/747709898.db2.gz CZIIPGKEFBNMHK-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001089731324 747709902 /nfs/dbraw/zinc/70/99/02/747709902.db2.gz CZIIPGKEFBNMHK-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001089731324 747709907 /nfs/dbraw/zinc/70/99/07/747709907.db2.gz CZIIPGKEFBNMHK-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200121949 748140551 /nfs/dbraw/zinc/14/05/51/748140551.db2.gz AGGBRAMXVFDTQF-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148135 748697349 /nfs/dbraw/zinc/69/73/49/748697349.db2.gz QARITJZWZXCIIF-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001036219548 752296868 /nfs/dbraw/zinc/29/68/68/752296868.db2.gz QVUZGOYKUFQFLZ-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296142 749138322 /nfs/dbraw/zinc/13/83/22/749138322.db2.gz PNHVAGLRUQKOQX-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1(C)C ZINC000996203476 749434643 /nfs/dbraw/zinc/43/46/43/749434643.db2.gz HUJNMKJTLDPQFL-ZBFHGGJFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108343517 761958564 /nfs/dbraw/zinc/95/85/64/761958564.db2.gz UIWUJTFVOGXRGK-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343517 761958567 /nfs/dbraw/zinc/95/85/67/761958567.db2.gz UIWUJTFVOGXRGK-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343517 761958569 /nfs/dbraw/zinc/95/85/69/761958569.db2.gz UIWUJTFVOGXRGK-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001108343587 761960084 /nfs/dbraw/zinc/96/00/84/761960084.db2.gz VIVDOJSLTIMGIW-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343587 761960087 /nfs/dbraw/zinc/96/00/87/761960087.db2.gz VIVDOJSLTIMGIW-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001108343587 761960093 /nfs/dbraw/zinc/96/00/93/761960093.db2.gz VIVDOJSLTIMGIW-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3nccn32)C1 ZINC001033854974 749985438 /nfs/dbraw/zinc/98/54/38/749985438.db2.gz FVAYSOBSLWNMLT-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCc3nccn32)C1 ZINC001033854974 749985445 /nfs/dbraw/zinc/98/54/45/749985445.db2.gz FVAYSOBSLWNMLT-GJZGRUSLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531851 750015428 /nfs/dbraw/zinc/01/54/28/750015428.db2.gz VDKAANCTPOKXGO-FXUDXRNXSA-N 2 1 312.417 1.505 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCc3[nH+]ccn31)C2 ZINC001095531851 750015434 /nfs/dbraw/zinc/01/54/34/750015434.db2.gz VDKAANCTPOKXGO-FXUDXRNXSA-N 2 1 312.417 1.505 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001033932803 750154023 /nfs/dbraw/zinc/15/40/23/750154023.db2.gz SOVLLIDEOORPJI-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932803 750154026 /nfs/dbraw/zinc/15/40/26/750154026.db2.gz SOVLLIDEOORPJI-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932803 750154032 /nfs/dbraw/zinc/15/40/32/750154032.db2.gz SOVLLIDEOORPJI-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932803 750154044 /nfs/dbraw/zinc/15/40/44/750154044.db2.gz SOVLLIDEOORPJI-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114563723 750735673 /nfs/dbraw/zinc/73/56/73/750735673.db2.gz YURKUPSSGSACGA-VQFNDLOPSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114563723 750735674 /nfs/dbraw/zinc/73/56/74/750735674.db2.gz YURKUPSSGSACGA-VQFNDLOPSA-N 2 1 316.449 1.984 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997641967 751174242 /nfs/dbraw/zinc/17/42/42/751174242.db2.gz KRSGXNBYVMLKSL-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035167206 751252009 /nfs/dbraw/zinc/25/20/09/751252009.db2.gz MOTJLWHDRXPPOT-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035167206 751252014 /nfs/dbraw/zinc/25/20/14/751252014.db2.gz MOTJLWHDRXPPOT-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001035167206 751252016 /nfs/dbraw/zinc/25/20/16/751252016.db2.gz MOTJLWHDRXPPOT-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035223907 751301512 /nfs/dbraw/zinc/30/15/12/751301512.db2.gz ZREIPCLNVJIBGI-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035245243 751326720 /nfs/dbraw/zinc/32/67/20/751326720.db2.gz BSXAJIKPMVAGJB-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035245243 751326724 /nfs/dbraw/zinc/32/67/24/751326724.db2.gz BSXAJIKPMVAGJB-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035245243 751326729 /nfs/dbraw/zinc/32/67/29/751326729.db2.gz BSXAJIKPMVAGJB-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997871683 751329785 /nfs/dbraw/zinc/32/97/85/751329785.db2.gz PMQAJQBTTJXKNR-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997871683 751329793 /nfs/dbraw/zinc/32/97/93/751329793.db2.gz PMQAJQBTTJXKNR-DOTOQJQBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](OC)C1 ZINC001212412578 752627884 /nfs/dbraw/zinc/62/78/84/752627884.db2.gz WKCUGFPGBOIMOR-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008506557 752772228 /nfs/dbraw/zinc/77/22/28/752772228.db2.gz CROHPEWCPIJDSS-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008506557 752772231 /nfs/dbraw/zinc/77/22/31/752772231.db2.gz CROHPEWCPIJDSS-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008506557 752772232 /nfs/dbraw/zinc/77/22/32/752772232.db2.gz CROHPEWCPIJDSS-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000999369026 752871396 /nfs/dbraw/zinc/87/13/96/752871396.db2.gz IMINYKPOWVQJPI-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999389719 752884172 /nfs/dbraw/zinc/88/41/72/752884172.db2.gz BDFICCRUHWFOSW-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999389719 752884178 /nfs/dbraw/zinc/88/41/78/752884178.db2.gz BDFICCRUHWFOSW-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC001009630577 753289962 /nfs/dbraw/zinc/28/99/62/753289962.db2.gz XIHLKLHDQRFCMA-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001169162490 762270000 /nfs/dbraw/zinc/27/00/00/762270000.db2.gz TZSACYDULXGIEC-WCVJEAGWSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001169162490 762270003 /nfs/dbraw/zinc/27/00/03/762270003.db2.gz TZSACYDULXGIEC-WCVJEAGWSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169162490 762270008 /nfs/dbraw/zinc/27/00/08/762270008.db2.gz TZSACYDULXGIEC-WCVJEAGWSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001169162490 762270013 /nfs/dbraw/zinc/27/00/13/762270013.db2.gz TZSACYDULXGIEC-WCVJEAGWSA-N 2 1 307.438 1.988 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844821 755606528 /nfs/dbraw/zinc/60/65/28/755606528.db2.gz CYGXVQHQUMZYHJ-IXDOHACOSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844821 755606531 /nfs/dbraw/zinc/60/65/31/755606531.db2.gz CYGXVQHQUMZYHJ-IXDOHACOSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844821 755606535 /nfs/dbraw/zinc/60/65/35/755606535.db2.gz CYGXVQHQUMZYHJ-IXDOHACOSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080318263 755849127 /nfs/dbraw/zinc/84/91/27/755849127.db2.gz LYDPWZZUADRNRR-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080318263 755849133 /nfs/dbraw/zinc/84/91/33/755849133.db2.gz LYDPWZZUADRNRR-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318263 755849140 /nfs/dbraw/zinc/84/91/40/755849140.db2.gz LYDPWZZUADRNRR-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318263 755849146 /nfs/dbraw/zinc/84/91/46/755849146.db2.gz LYDPWZZUADRNRR-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621705 756420557 /nfs/dbraw/zinc/42/05/57/756420557.db2.gz JPMVYUUPRBNTTH-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015621705 756420560 /nfs/dbraw/zinc/42/05/60/756420560.db2.gz JPMVYUUPRBNTTH-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](OC)C1 ZINC001082052606 756607877 /nfs/dbraw/zinc/60/78/77/756607877.db2.gz IGEQLWMFBAVADL-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052606 756607882 /nfs/dbraw/zinc/60/78/82/756607882.db2.gz IGEQLWMFBAVADL-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](OC)C1 ZINC001082052606 756607884 /nfs/dbraw/zinc/60/78/84/756607884.db2.gz IGEQLWMFBAVADL-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651990 757236135 /nfs/dbraw/zinc/23/61/35/757236135.db2.gz MWAUQWSPDLFQMN-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016664459 757248291 /nfs/dbraw/zinc/24/82/91/757248291.db2.gz XUJPSYBGXPOZHG-GJZGRUSLSA-N 2 1 312.417 1.364 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC=C)CC2 ZINC001016669139 757250832 /nfs/dbraw/zinc/25/08/32/757250832.db2.gz CNXLTOXYFTZALW-DLBZAZTESA-N 2 1 315.461 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC=C)CC2 ZINC001016669139 757250835 /nfs/dbraw/zinc/25/08/35/757250835.db2.gz CNXLTOXYFTZALW-DLBZAZTESA-N 2 1 315.461 1.631 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001001090792 762543394 /nfs/dbraw/zinc/54/33/94/762543394.db2.gz XXXWUTAVTVYCJA-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001090792 762543396 /nfs/dbraw/zinc/54/33/96/762543396.db2.gz XXXWUTAVTVYCJA-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001001090792 762543398 /nfs/dbraw/zinc/54/33/98/762543398.db2.gz XXXWUTAVTVYCJA-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598673 757691589 /nfs/dbraw/zinc/69/15/89/757691589.db2.gz AIYIIFMSAULOPB-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598673 757691596 /nfs/dbraw/zinc/69/15/96/757691596.db2.gz AIYIIFMSAULOPB-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598673 757691605 /nfs/dbraw/zinc/69/16/05/757691605.db2.gz AIYIIFMSAULOPB-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040528978 762579050 /nfs/dbraw/zinc/57/90/50/762579050.db2.gz MWXDRIIWCDDELY-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040530623 762580858 /nfs/dbraw/zinc/58/08/58/762580858.db2.gz DSFWCJCQYHWLRC-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040530623 762580861 /nfs/dbraw/zinc/58/08/61/762580861.db2.gz DSFWCJCQYHWLRC-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040530623 762580866 /nfs/dbraw/zinc/58/08/66/762580866.db2.gz DSFWCJCQYHWLRC-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543328 762587155 /nfs/dbraw/zinc/58/71/55/762587155.db2.gz OWYQUIKSTYBMTE-IBGZPJMESA-N 2 1 317.477 1.810 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853495 757983782 /nfs/dbraw/zinc/98/37/82/757983782.db2.gz UOMJWPNBEBWLKC-BRWVUGGUSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853495 757983790 /nfs/dbraw/zinc/98/37/90/757983790.db2.gz UOMJWPNBEBWLKC-BRWVUGGUSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032699 758168850 /nfs/dbraw/zinc/16/88/50/758168850.db2.gz VPJDQCGHZINJIC-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032699 758168852 /nfs/dbraw/zinc/16/88/52/758168852.db2.gz VPJDQCGHZINJIC-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032699 758168856 /nfs/dbraw/zinc/16/88/56/758168856.db2.gz VPJDQCGHZINJIC-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085096917 758235684 /nfs/dbraw/zinc/23/56/84/758235684.db2.gz ZEEDOTAOXMZTGU-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085096917 758235690 /nfs/dbraw/zinc/23/56/90/758235690.db2.gz ZEEDOTAOXMZTGU-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096917 758235695 /nfs/dbraw/zinc/23/56/95/758235695.db2.gz ZEEDOTAOXMZTGU-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096917 758235701 /nfs/dbraw/zinc/23/57/01/758235701.db2.gz ZEEDOTAOXMZTGU-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085100921 758239326 /nfs/dbraw/zinc/23/93/26/758239326.db2.gz KVJCALDRALJLRT-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100921 758239327 /nfs/dbraw/zinc/23/93/27/758239327.db2.gz KVJCALDRALJLRT-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085100921 758239333 /nfs/dbraw/zinc/23/93/33/758239333.db2.gz KVJCALDRALJLRT-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001053432323 758458078 /nfs/dbraw/zinc/45/80/78/758458078.db2.gz XLFFHDZFISTAOV-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCF)CC2 ZINC001040731297 762664460 /nfs/dbraw/zinc/66/44/60/762664460.db2.gz IMFWWQXZWOBCIZ-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCF)CC2 ZINC001040731297 762664468 /nfs/dbraw/zinc/66/44/68/762664468.db2.gz IMFWWQXZWOBCIZ-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054166049 759248715 /nfs/dbraw/zinc/24/87/15/759248715.db2.gz UGCLOXKGMYDYIP-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054166049 759248722 /nfs/dbraw/zinc/24/87/22/759248722.db2.gz UGCLOXKGMYDYIP-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085313146 759253551 /nfs/dbraw/zinc/25/35/51/759253551.db2.gz LBEWUEBMFNZGSN-USXIJHARSA-N 2 1 314.433 1.404 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054191105 759275202 /nfs/dbraw/zinc/27/52/02/759275202.db2.gz YOYKMUAWTAQQRG-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001054198620 759285934 /nfs/dbraw/zinc/28/59/34/759285934.db2.gz BNBPITLHHBPIAD-FUHWJXTLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227829 759317847 /nfs/dbraw/zinc/31/78/47/759317847.db2.gz KXCNGBCHULWXMD-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227829 759317859 /nfs/dbraw/zinc/31/78/59/759317859.db2.gz KXCNGBCHULWXMD-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227829 759317869 /nfs/dbraw/zinc/31/78/69/759317869.db2.gz KXCNGBCHULWXMD-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001019297755 759775994 /nfs/dbraw/zinc/77/59/94/759775994.db2.gz JZVJGSMAEBRPTC-KBPBESRZSA-N 2 1 322.840 1.697 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001001465551 762888296 /nfs/dbraw/zinc/88/82/96/762888296.db2.gz CYBQBRFYCGKZLN-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050067760 763084410 /nfs/dbraw/zinc/08/44/10/763084410.db2.gz RIXNEZZHEUCQOW-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067760 763084416 /nfs/dbraw/zinc/08/44/16/763084416.db2.gz RIXNEZZHEUCQOW-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050067760 763084420 /nfs/dbraw/zinc/08/44/20/763084420.db2.gz RIXNEZZHEUCQOW-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124907 763175712 /nfs/dbraw/zinc/17/57/12/763175712.db2.gz OQNDJKOOYQOTHN-XLAORIBOSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124907 763175715 /nfs/dbraw/zinc/17/57/15/763175715.db2.gz OQNDJKOOYQOTHN-XLAORIBOSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124907 763175722 /nfs/dbraw/zinc/17/57/22/763175722.db2.gz OQNDJKOOYQOTHN-XLAORIBOSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046954113 768148957 /nfs/dbraw/zinc/14/89/57/768148957.db2.gz QDWBMIZNKQUEEM-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046954113 768148959 /nfs/dbraw/zinc/14/89/59/768148959.db2.gz QDWBMIZNKQUEEM-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046954113 768148963 /nfs/dbraw/zinc/14/89/63/768148963.db2.gz QDWBMIZNKQUEEM-KGLIPLIRSA-N 2 1 315.408 1.730 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042132029 763688584 /nfs/dbraw/zinc/68/85/84/763688584.db2.gz CBIWGMMBRSQHDG-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042217196 763781793 /nfs/dbraw/zinc/78/17/93/763781793.db2.gz VENVHTDCXQCBCD-RDJZCZTQSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC=C)[C@H]3C2)CC1 ZINC001042368941 763972536 /nfs/dbraw/zinc/97/25/36/763972536.db2.gz TVJQIWKZALGSQQ-AEFFLSMTSA-N 2 1 315.461 1.440 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001090437215 764401064 /nfs/dbraw/zinc/40/10/64/764401064.db2.gz ZQNPCXFRJFHVAE-HOTGVXAUSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001052377095 765771432 /nfs/dbraw/zinc/77/14/32/765771432.db2.gz NCWAFFOFJDRABW-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384228 765779343 /nfs/dbraw/zinc/77/93/43/765779343.db2.gz BCGAVCZHRJZTBF-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001052386318 765780316 /nfs/dbraw/zinc/78/03/16/765780316.db2.gz AIYYDUPNQVYADY-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052447010 765837746 /nfs/dbraw/zinc/83/77/46/765837746.db2.gz VLHNOQHDXQZGEF-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447010 765837754 /nfs/dbraw/zinc/83/77/54/765837754.db2.gz VLHNOQHDXQZGEF-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052447010 765837762 /nfs/dbraw/zinc/83/77/62/765837762.db2.gz VLHNOQHDXQZGEF-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1F ZINC001170211964 766171171 /nfs/dbraw/zinc/17/11/71/766171171.db2.gz UEATVDLPOCEECQ-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045461816 766323532 /nfs/dbraw/zinc/32/35/32/766323532.db2.gz PADDPKNHDCHMTG-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045947699 766730778 /nfs/dbraw/zinc/73/07/78/766730778.db2.gz HUGDEYDJJLWYKT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045947699 766730784 /nfs/dbraw/zinc/73/07/84/766730784.db2.gz HUGDEYDJJLWYKT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045947699 766730787 /nfs/dbraw/zinc/73/07/87/766730787.db2.gz HUGDEYDJJLWYKT-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046038273 766845538 /nfs/dbraw/zinc/84/55/38/766845538.db2.gz JEWVYUPHHMOEDL-IAGOWNOFSA-N 2 1 322.497 1.121 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1F ZINC001129770181 766997830 /nfs/dbraw/zinc/99/78/30/766997830.db2.gz CHPIMDZJOJPUAN-KRWDZBQOSA-N 2 1 317.408 1.438 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)ccc1F ZINC001129770181 766997833 /nfs/dbraw/zinc/99/78/33/766997833.db2.gz CHPIMDZJOJPUAN-KRWDZBQOSA-N 2 1 317.408 1.438 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001129775666 766999352 /nfs/dbraw/zinc/99/93/52/766999352.db2.gz QLGFJKNAEQYECR-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(C)cc(C)c1 ZINC001129775666 766999357 /nfs/dbraw/zinc/99/93/57/766999357.db2.gz QLGFJKNAEQYECR-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096104195 767660584 /nfs/dbraw/zinc/66/05/84/767660584.db2.gz FKTGAXXGKLQWKM-VSZNYVQBSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104195 767660587 /nfs/dbraw/zinc/66/05/87/767660587.db2.gz FKTGAXXGKLQWKM-VSZNYVQBSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001096104195 767660589 /nfs/dbraw/zinc/66/05/89/767660589.db2.gz FKTGAXXGKLQWKM-VSZNYVQBSA-N 2 1 317.477 1.994 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1C ZINC001132265781 768720100 /nfs/dbraw/zinc/72/01/00/768720100.db2.gz SFOLBFPISOCZFW-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310818 768750237 /nfs/dbraw/zinc/75/02/37/768750237.db2.gz ONGBSALWWHZXIB-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310818 768750241 /nfs/dbraw/zinc/75/02/41/768750241.db2.gz ONGBSALWWHZXIB-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310818 768750243 /nfs/dbraw/zinc/75/02/43/768750243.db2.gz ONGBSALWWHZXIB-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132364696 768778992 /nfs/dbraw/zinc/77/89/92/768778992.db2.gz DWVQOCGZRANVLO-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132364696 768778995 /nfs/dbraw/zinc/77/89/95/768778995.db2.gz DWVQOCGZRANVLO-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437391 768861694 /nfs/dbraw/zinc/86/16/94/768861694.db2.gz TUUGWYUQRCLUPA-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437391 768861708 /nfs/dbraw/zinc/86/17/08/768861708.db2.gz TUUGWYUQRCLUPA-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096269052 768866479 /nfs/dbraw/zinc/86/64/79/768866479.db2.gz DGJINGXPQUYVGE-SQNIBIBYSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048526281 769494258 /nfs/dbraw/zinc/49/42/58/769494258.db2.gz PXVFHIVWHDCCEA-RANZSIQMSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@@H]1C ZINC001071646186 769785549 /nfs/dbraw/zinc/78/55/49/769785549.db2.gz SYCXITFBGYFZPZ-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC=C)C[C@@H]2C1 ZINC001048869950 770022134 /nfs/dbraw/zinc/02/21/34/770022134.db2.gz IURUDTDTEVTJEX-BBWFWOEESA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC=C)C[C@@H]2C1 ZINC001048869950 770022146 /nfs/dbraw/zinc/02/21/46/770022146.db2.gz IURUDTDTEVTJEX-BBWFWOEESA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC=C)C[C@@H]2C1 ZINC001048869950 770022158 /nfs/dbraw/zinc/02/21/58/770022158.db2.gz IURUDTDTEVTJEX-BBWFWOEESA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC=C)C[C@@H]2C1 ZINC001048869950 770022168 /nfs/dbraw/zinc/02/21/68/770022168.db2.gz IURUDTDTEVTJEX-BBWFWOEESA-N 2 1 301.434 1.050 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048914137 770102138 /nfs/dbraw/zinc/10/21/38/770102138.db2.gz PAVNDRUGTSMROV-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914137 770102141 /nfs/dbraw/zinc/10/21/41/770102141.db2.gz PAVNDRUGTSMROV-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048914137 770102143 /nfs/dbraw/zinc/10/21/43/770102143.db2.gz PAVNDRUGTSMROV-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058625 770305948 /nfs/dbraw/zinc/30/59/48/770305948.db2.gz HFGRPSWMRCZVJS-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058625 770305961 /nfs/dbraw/zinc/30/59/61/770305961.db2.gz HFGRPSWMRCZVJS-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@H]2C1 ZINC001049058625 770305970 /nfs/dbraw/zinc/30/59/70/770305970.db2.gz HFGRPSWMRCZVJS-YESZJQIVSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097981 770368545 /nfs/dbraw/zinc/36/85/45/770368545.db2.gz ZZGLLKDLHPSTRA-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097981 770368556 /nfs/dbraw/zinc/36/85/56/770368556.db2.gz ZZGLLKDLHPSTRA-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097981 770368566 /nfs/dbraw/zinc/36/85/66/770368566.db2.gz ZZGLLKDLHPSTRA-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107288 770391937 /nfs/dbraw/zinc/39/19/37/770391937.db2.gz DASCSSAHJCQHFQ-TWMKSMIVSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107288 770391945 /nfs/dbraw/zinc/39/19/45/770391945.db2.gz DASCSSAHJCQHFQ-TWMKSMIVSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107288 770391954 /nfs/dbraw/zinc/39/19/54/770391954.db2.gz DASCSSAHJCQHFQ-TWMKSMIVSA-N 2 1 301.434 1.027 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001133869339 770392005 /nfs/dbraw/zinc/39/20/05/770392005.db2.gz DJVLEFJVOWHHHE-IUODEOHRSA-N 2 1 318.396 1.101 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2C1 ZINC001049161226 770481730 /nfs/dbraw/zinc/48/17/30/770481730.db2.gz RGPFWQSTZZBROT-HDICACEKSA-N 2 1 317.477 1.685 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049232610 770577894 /nfs/dbraw/zinc/57/78/94/770577894.db2.gz BIZWBPQGNCOJNV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049232610 770577901 /nfs/dbraw/zinc/57/79/01/770577901.db2.gz BIZWBPQGNCOJNV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049232610 770577908 /nfs/dbraw/zinc/57/79/08/770577908.db2.gz BIZWBPQGNCOJNV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049465617 770885819 /nfs/dbraw/zinc/88/58/19/770885819.db2.gz SSBSBZYULMORHS-ZACQAIPSSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049465617 770885833 /nfs/dbraw/zinc/88/58/33/770885833.db2.gz SSBSBZYULMORHS-ZACQAIPSSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049465617 770885846 /nfs/dbraw/zinc/88/58/46/770885846.db2.gz SSBSBZYULMORHS-ZACQAIPSSA-N 2 1 303.450 1.558 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049480535 770911503 /nfs/dbraw/zinc/91/15/03/770911503.db2.gz FUUXBGDSSMMOPD-NCOADZHNSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049480535 770911510 /nfs/dbraw/zinc/91/15/10/770911510.db2.gz FUUXBGDSSMMOPD-NCOADZHNSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049480535 770911516 /nfs/dbraw/zinc/91/15/16/770911516.db2.gz FUUXBGDSSMMOPD-NCOADZHNSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049535912 770996573 /nfs/dbraw/zinc/99/65/73/770996573.db2.gz KXEKTQUYOMVIQF-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535912 770996575 /nfs/dbraw/zinc/99/65/75/770996575.db2.gz KXEKTQUYOMVIQF-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049535912 770996578 /nfs/dbraw/zinc/99/65/78/770996578.db2.gz KXEKTQUYOMVIQF-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049653947 771055775 /nfs/dbraw/zinc/05/57/75/771055775.db2.gz FDUWPHPNZJKFOA-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049653947 771055779 /nfs/dbraw/zinc/05/57/79/771055779.db2.gz FDUWPHPNZJKFOA-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049653947 771055785 /nfs/dbraw/zinc/05/57/85/771055785.db2.gz FDUWPHPNZJKFOA-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134808612 771186841 /nfs/dbraw/zinc/18/68/41/771186841.db2.gz KGACEZKGWKLSDO-STQMWFEESA-N 2 1 306.410 1.246 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001086739421 771557840 /nfs/dbraw/zinc/55/78/40/771557840.db2.gz YJFYIWLPJQRBSL-UONOGXRCSA-N 2 1 320.437 1.800 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001097075459 771609120 /nfs/dbraw/zinc/60/91/20/771609120.db2.gz VCHKWQLAFJKEGM-ZACQAIPSSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086802844 771772211 /nfs/dbraw/zinc/77/22/11/771772211.db2.gz CZQBGWHDBQHWNM-ARFHVFGLSA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691191 772112854 /nfs/dbraw/zinc/11/28/54/772112854.db2.gz ADTDEQYAESUQKE-IAGOWNOFSA-N 2 1 323.481 1.234 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001146719238 772925834 /nfs/dbraw/zinc/92/58/34/772925834.db2.gz MJAZEVSNHDQLSR-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899283 773509661 /nfs/dbraw/zinc/50/96/61/773509661.db2.gz PMZVANVXBJWDIJ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899283 773509663 /nfs/dbraw/zinc/50/96/63/773509663.db2.gz PMZVANVXBJWDIJ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899283 773509665 /nfs/dbraw/zinc/50/96/65/773509665.db2.gz PMZVANVXBJWDIJ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCCC)C[C@@]2(C)C1 ZINC001091750053 773600271 /nfs/dbraw/zinc/60/02/71/773600271.db2.gz WLCPYERHDPEFOZ-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001091750053 773600274 /nfs/dbraw/zinc/60/02/74/773600274.db2.gz WLCPYERHDPEFOZ-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC)C[C@@]2(C)C1 ZINC001091750053 773600276 /nfs/dbraw/zinc/60/02/76/773600276.db2.gz WLCPYERHDPEFOZ-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCCC)C[C@@]2(C)C1 ZINC001091750053 773600279 /nfs/dbraw/zinc/60/02/79/773600279.db2.gz WLCPYERHDPEFOZ-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001091910114 773856805 /nfs/dbraw/zinc/85/68/05/773856805.db2.gz JBPWHIKTBFCPKI-APWZRJJASA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092302249 774053265 /nfs/dbraw/zinc/05/32/65/774053265.db2.gz VCOYODWYRUFHCQ-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001093117416 774408718 /nfs/dbraw/zinc/40/87/18/774408718.db2.gz MEJYMMUPNVLHAA-CRAIPNDOSA-N 2 1 317.477 1.426 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093224859 774536019 /nfs/dbraw/zinc/53/60/19/774536019.db2.gz FEAFZIHMYDDYPK-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001093224859 774536010 /nfs/dbraw/zinc/53/60/10/774536010.db2.gz FEAFZIHMYDDYPK-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001093224859 774536027 /nfs/dbraw/zinc/53/60/27/774536027.db2.gz FEAFZIHMYDDYPK-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[N@H+](C)CC ZINC001099496044 775008633 /nfs/dbraw/zinc/00/86/33/775008633.db2.gz HXFRRAWBODSGSD-YVSFHVDLSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496044 775008641 /nfs/dbraw/zinc/00/86/41/775008641.db2.gz HXFRRAWBODSGSD-YVSFHVDLSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)(C)[NH+](C)CC ZINC001099496044 775008648 /nfs/dbraw/zinc/00/86/48/775008648.db2.gz HXFRRAWBODSGSD-YVSFHVDLSA-N 2 1 317.477 1.519 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099518576 775014227 /nfs/dbraw/zinc/01/42/27/775014227.db2.gz BABVYHQBEAEAFX-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149842707 775317225 /nfs/dbraw/zinc/31/72/25/775317225.db2.gz YMQDNRKCDUIEOU-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100072576 775646811 /nfs/dbraw/zinc/64/68/11/775646811.db2.gz XROZVPKKCLJOPU-DLBZAZTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](CCC)CCC)[C@H](O)C1 ZINC001100072576 775646817 /nfs/dbraw/zinc/64/68/17/775646817.db2.gz XROZVPKKCLJOPU-DLBZAZTESA-N 2 1 323.481 1.073 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094429923 775853687 /nfs/dbraw/zinc/85/36/87/775853687.db2.gz BEABSHAUASVNNM-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094429923 775853697 /nfs/dbraw/zinc/85/36/97/775853697.db2.gz BEABSHAUASVNNM-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094429923 775853704 /nfs/dbraw/zinc/85/37/04/775853704.db2.gz BEABSHAUASVNNM-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001100677500 776430927 /nfs/dbraw/zinc/43/09/27/776430927.db2.gz QBULBQFTILKPHX-PCKAHOCUSA-N 2 1 314.433 1.262 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001175265212 777738845 /nfs/dbraw/zinc/73/88/45/777738845.db2.gz XZDIWJFQADHLGR-SJORKVTESA-N 2 1 323.481 1.243 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103408878 778849758 /nfs/dbraw/zinc/84/97/58/778849758.db2.gz YTUQQJZNLAGCJT-BRWVUGGUSA-N 2 1 307.482 1.670 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103436072 778865305 /nfs/dbraw/zinc/86/53/05/778865305.db2.gz JKLJRYDMEGNATI-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436072 778865312 /nfs/dbraw/zinc/86/53/12/778865312.db2.gz JKLJRYDMEGNATI-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436072 778865315 /nfs/dbraw/zinc/86/53/15/778865315.db2.gz JKLJRYDMEGNATI-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112439308 779779115 /nfs/dbraw/zinc/77/91/15/779779115.db2.gz SCDVNHQPGSKMBE-YJBOKZPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115303627 780021619 /nfs/dbraw/zinc/02/16/19/780021619.db2.gz HDNBCTWRVNTBAJ-VSZNYVQBSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001115303627 780021630 /nfs/dbraw/zinc/02/16/30/780021630.db2.gz HDNBCTWRVNTBAJ-VSZNYVQBSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC1CCCC1 ZINC001267242916 837592436 /nfs/dbraw/zinc/59/24/36/837592436.db2.gz COKWUIWNXRRFRJ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC1CCCC1 ZINC001267242916 837592441 /nfs/dbraw/zinc/59/24/41/837592441.db2.gz COKWUIWNXRRFRJ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1CCCC1 ZINC001267242916 837592447 /nfs/dbraw/zinc/59/24/47/837592447.db2.gz COKWUIWNXRRFRJ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1CCCC1 ZINC001267242916 837592453 /nfs/dbraw/zinc/59/24/53/837592453.db2.gz COKWUIWNXRRFRJ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266251757 835988122 /nfs/dbraw/zinc/98/81/22/835988122.db2.gz GGRAACZKEIRYLJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266251757 835988099 /nfs/dbraw/zinc/98/80/99/835988099.db2.gz GGRAACZKEIRYLJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266251757 835988112 /nfs/dbraw/zinc/98/81/12/835988112.db2.gz GGRAACZKEIRYLJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001266251757 835988134 /nfs/dbraw/zinc/98/81/34/835988134.db2.gz GGRAACZKEIRYLJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266537472 836433999 /nfs/dbraw/zinc/43/39/99/836433999.db2.gz MHYAJSIXMIUIDG-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266537470 836434088 /nfs/dbraw/zinc/43/40/88/836434088.db2.gz MHYAJSIXMIUIDG-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266539592 836438299 /nfs/dbraw/zinc/43/82/99/836438299.db2.gz FDFPACMBLUVCNE-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267115543 837380431 /nfs/dbraw/zinc/38/04/31/837380431.db2.gz WLBRHWYMAQESNF-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267115543 837380443 /nfs/dbraw/zinc/38/04/43/837380443.db2.gz WLBRHWYMAQESNF-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001267115543 837380456 /nfs/dbraw/zinc/38/04/56/837380456.db2.gz WLBRHWYMAQESNF-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP COCC#CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001267331020 837841745 /nfs/dbraw/zinc/84/17/45/837841745.db2.gz VKFNPLGJABRPPJ-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001267331020 837841758 /nfs/dbraw/zinc/84/17/58/837841758.db2.gz VKFNPLGJABRPPJ-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001271996481 844278387 /nfs/dbraw/zinc/27/83/87/844278387.db2.gz NBPUPVGEHVXEEM-GOSISDBHSA-N 2 1 323.481 1.382 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267559097 838305690 /nfs/dbraw/zinc/30/56/90/838305690.db2.gz NIXFXDKHGQWJSC-NVXWUHKLSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(CN(C)C)on2)C1 ZINC001025460713 838464649 /nfs/dbraw/zinc/46/46/49/838464649.db2.gz LJQRDOXERBTPHC-UONOGXRCSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccns1 ZINC001267806077 839010085 /nfs/dbraw/zinc/01/00/85/839010085.db2.gz KHPUOBLKZKHKEH-ZFWWWQNUSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1ccns1 ZINC001267806077 839010089 /nfs/dbraw/zinc/01/00/89/839010089.db2.gz KHPUOBLKZKHKEH-ZFWWWQNUSA-N 2 1 320.462 1.225 20 30 DDEDMP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284011805 839365486 /nfs/dbraw/zinc/36/54/86/839365486.db2.gz AMCSCSMVXGEPBN-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001272053844 844463256 /nfs/dbraw/zinc/46/32/56/844463256.db2.gz QCZHFHLEJSROPN-ROUUACIJSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001268280605 839938284 /nfs/dbraw/zinc/93/82/84/839938284.db2.gz MZUFMOQFHBFRNQ-ZFWWWQNUSA-N 2 1 318.421 1.248 20 30 DDEDMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001269080316 841179885 /nfs/dbraw/zinc/17/98/85/841179885.db2.gz ZGRNKTZUXWVWFH-QZTJIDSGSA-N 2 1 317.477 1.901 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001269188551 841320085 /nfs/dbraw/zinc/32/00/85/841320085.db2.gz GSFYVCWPWLTSQT-CVEARBPZSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CC[NH2+]CCC1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001269935564 842166429 /nfs/dbraw/zinc/16/64/29/842166429.db2.gz SQUHUWXCZMZUFG-SFHVURJKSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001270358393 842512064 /nfs/dbraw/zinc/51/20/64/842512064.db2.gz HPFPDGRZYFJCLA-INIZCTEOSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CCC[NH+]1CCC(N(CC#C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001270363546 842515927 /nfs/dbraw/zinc/51/59/27/842515927.db2.gz GBWVBGTXYXEURH-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCN1CC2(CCC1=O)CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272808304 847458779 /nfs/dbraw/zinc/45/87/79/847458779.db2.gz OKMCKPKUPZUHCB-UHFFFAOYSA-N 2 1 314.433 1.885 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273100672 847909245 /nfs/dbraw/zinc/90/92/45/847909245.db2.gz BDVWUONRFCFZIR-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001034248637 848154614 /nfs/dbraw/zinc/15/46/14/848154614.db2.gz FGPHAXWPXSVJCI-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248637 848154620 /nfs/dbraw/zinc/15/46/20/848154620.db2.gz FGPHAXWPXSVJCI-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034248637 848154628 /nfs/dbraw/zinc/15/46/28/848154628.db2.gz FGPHAXWPXSVJCI-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258418 848184361 /nfs/dbraw/zinc/18/43/61/848184361.db2.gz WHLYPRVTXILFSK-KRWDZBQOSA-N 2 1 317.477 1.856 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149888982 861963613 /nfs/dbraw/zinc/96/36/13/861963613.db2.gz MWWJTHUZYRPOAZ-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149982318 862006322 /nfs/dbraw/zinc/00/63/22/862006322.db2.gz HUUQZAWMQKRWPI-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149982318 862006336 /nfs/dbraw/zinc/00/63/36/862006336.db2.gz HUUQZAWMQKRWPI-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP N#Cc1cc2c(nc1N1CCC[C@H]([NH+]3CC(C[NH3+])C3)C1)CCC2 ZINC001155382022 862018213 /nfs/dbraw/zinc/01/82/13/862018213.db2.gz KHNPDOWIMSIAME-INIZCTEOSA-N 2 1 311.433 1.301 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(N2CCOCC2)CCCC1 ZINC001155564061 862230811 /nfs/dbraw/zinc/23/08/11/862230811.db2.gz OSEDLVBTGQYARS-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001274516211 852353180 /nfs/dbraw/zinc/35/31/80/852353180.db2.gz OWROFCHEJKRWGN-INIZCTEOSA-N 2 1 323.481 1.378 20 30 DDEDMP C#Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)c1 ZINC001276096155 854760486 /nfs/dbraw/zinc/76/04/86/854760486.db2.gz CLZCTCVVWIKJKB-QZTJIDSGSA-N 2 1 323.440 1.310 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001166668275 870141082 /nfs/dbraw/zinc/14/10/82/870141082.db2.gz XOCWSAMEIVGFDP-NSHDSACASA-N 2 1 318.259 1.333 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001016950606 856269123 /nfs/dbraw/zinc/26/91/23/856269123.db2.gz LQOKZAIIGGRSNC-YJBOKZPZSA-N 2 1 303.450 1.629 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001072850510 857799503 /nfs/dbraw/zinc/79/95/03/857799503.db2.gz ZXAAREYYABHOQS-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850510 857799510 /nfs/dbraw/zinc/79/95/10/857799510.db2.gz ZXAAREYYABHOQS-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC001072850510 857799517 /nfs/dbraw/zinc/79/95/17/857799517.db2.gz ZXAAREYYABHOQS-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072922025 857893887 /nfs/dbraw/zinc/89/38/87/857893887.db2.gz ZKWQZRNFMWMSTE-OAHLLOKOSA-N 2 1 314.433 1.474 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)C2)C1 ZINC001072922025 857893890 /nfs/dbraw/zinc/89/38/90/857893890.db2.gz ZKWQZRNFMWMSTE-OAHLLOKOSA-N 2 1 314.433 1.474 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035904 858027872 /nfs/dbraw/zinc/02/78/72/858027872.db2.gz YLXFOVLIDHSBBL-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073131638 858127319 /nfs/dbraw/zinc/12/73/19/858127319.db2.gz RILZHESLLQHSDK-UHFFFAOYSA-N 2 1 300.406 1.482 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001073131638 858127324 /nfs/dbraw/zinc/12/73/24/858127324.db2.gz RILZHESLLQHSDK-UHFFFAOYSA-N 2 1 300.406 1.482 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC=C)C1 ZINC001276389064 858479085 /nfs/dbraw/zinc/47/90/85/858479085.db2.gz OFEOBHGNBRTBLF-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC=C)C1 ZINC001276389064 858479090 /nfs/dbraw/zinc/47/90/90/858479090.db2.gz OFEOBHGNBRTBLF-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C=CCC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001328559333 863065161 /nfs/dbraw/zinc/06/51/61/863065161.db2.gz UMIODCDCRWBACB-IYBDPMFKSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161208094 860596592 /nfs/dbraw/zinc/59/65/92/860596592.db2.gz ZLTFLUVELVTPDV-RDJZCZTQSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203038174 860637113 /nfs/dbraw/zinc/63/71/13/860637113.db2.gz XHEQZNRAJJHRER-HZPDHXFCSA-N 2 1 303.450 1.511 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(c3ncc4c(c3C#N)CCC[NH2+]C4)C[C@@H]21 ZINC001157259784 863687710 /nfs/dbraw/zinc/68/77/10/863687710.db2.gz FYSXJGZMEHPIOK-DYVFJYSZSA-N 2 1 311.433 1.519 20 30 DDEDMP COCC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001331202521 864940154 /nfs/dbraw/zinc/94/01/54/864940154.db2.gz JSQVXEINFLHACR-SJORKVTESA-N 2 1 323.481 1.241 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C/C(Cl)=C\Cl ZINC001160197607 865722277 /nfs/dbraw/zinc/72/22/77/865722277.db2.gz AJWXJXVVOWZTRN-XSNHNAGMSA-N 2 1 318.248 1.499 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]C/C(Cl)=C\Cl ZINC001160197607 865722283 /nfs/dbraw/zinc/72/22/83/865722283.db2.gz AJWXJXVVOWZTRN-XSNHNAGMSA-N 2 1 318.248 1.499 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001160285588 865764221 /nfs/dbraw/zinc/76/42/21/865764221.db2.gz IOPOZBVZJOLDEB-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285588 865764225 /nfs/dbraw/zinc/76/42/25/865764225.db2.gz IOPOZBVZJOLDEB-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001160285588 865764232 /nfs/dbraw/zinc/76/42/32/865764232.db2.gz IOPOZBVZJOLDEB-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC001322998748 866253558 /nfs/dbraw/zinc/25/35/58/866253558.db2.gz CROHGAQTXVVITI-WMZOPIPTSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001319875905 866362345 /nfs/dbraw/zinc/36/23/45/866362345.db2.gz CXWDSFZOPBYRNY-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001319875905 866362356 /nfs/dbraw/zinc/36/23/56/866362356.db2.gz CXWDSFZOPBYRNY-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001319875905 866362368 /nfs/dbraw/zinc/36/23/68/866362368.db2.gz CXWDSFZOPBYRNY-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C[C@H](C#N)N(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001161143545 866405013 /nfs/dbraw/zinc/40/50/13/866405013.db2.gz ADIFEHPRFGBBKS-ZBFHGGJFSA-N 2 1 312.417 1.078 20 30 DDEDMP C[C@H](C#N)N(C)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001161143545 866405023 /nfs/dbraw/zinc/40/50/23/866405023.db2.gz ADIFEHPRFGBBKS-ZBFHGGJFSA-N 2 1 312.417 1.078 20 30 DDEDMP C#CC[NH+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001323640776 866742335 /nfs/dbraw/zinc/74/23/35/866742335.db2.gz FGKMDVUXNOPFPK-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001323640776 866742342 /nfs/dbraw/zinc/74/23/42/866742342.db2.gz FGKMDVUXNOPFPK-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001324376805 867240606 /nfs/dbraw/zinc/24/06/06/867240606.db2.gz IKIGTJVMVVKZIX-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001325630893 868196554 /nfs/dbraw/zinc/19/65/54/868196554.db2.gz YGRWMAMQOQBWFD-YVSFHVDLSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728341 869693899 /nfs/dbraw/zinc/69/38/99/869693899.db2.gz PZMJHVGTFHZCTQ-HZPDHXFCSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728341 869693906 /nfs/dbraw/zinc/69/39/06/869693906.db2.gz PZMJHVGTFHZCTQ-HZPDHXFCSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338583502 870055963 /nfs/dbraw/zinc/05/59/63/870055963.db2.gz URKAZDKAGCGJSJ-IYBDPMFKSA-N 2 1 304.438 1.010 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]CC#Cc2ccccc2)C1 ZINC001166667382 870139893 /nfs/dbraw/zinc/13/98/93/870139893.db2.gz ABECVNVUDIPVCY-KRWDZBQOSA-N 2 1 313.445 1.476 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001317214233 870482719 /nfs/dbraw/zinc/48/27/19/870482719.db2.gz DNEKDUMHTUPZLI-NDVMQCNYSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317214233 870482725 /nfs/dbraw/zinc/48/27/25/870482725.db2.gz DNEKDUMHTUPZLI-NDVMQCNYSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317214233 870482731 /nfs/dbraw/zinc/48/27/31/870482731.db2.gz DNEKDUMHTUPZLI-NDVMQCNYSA-N 2 1 305.466 1.872 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001317375885 870732063 /nfs/dbraw/zinc/73/20/63/870732063.db2.gz MKJLVADGKISIHB-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+](CCC)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317544509 871034886 /nfs/dbraw/zinc/03/48/86/871034886.db2.gz OMUWVRLBVDLBLM-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317842542 871581023 /nfs/dbraw/zinc/58/10/23/871581023.db2.gz TZPUFECAQFJNAY-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001317038267 871909765 /nfs/dbraw/zinc/90/97/65/871909765.db2.gz HKLHFMZAFJXPHH-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317038267 871909778 /nfs/dbraw/zinc/90/97/78/871909778.db2.gz HKLHFMZAFJXPHH-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317038267 871909791 /nfs/dbraw/zinc/90/97/91/871909791.db2.gz HKLHFMZAFJXPHH-ZWKOTPCHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC001317148925 871966720 /nfs/dbraw/zinc/96/67/20/871966720.db2.gz GCNCLVMROFRISK-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(C)C)C1 ZINC001317148925 871966739 /nfs/dbraw/zinc/96/67/39/871966739.db2.gz GCNCLVMROFRISK-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001316747514 871991447 /nfs/dbraw/zinc/99/14/47/871991447.db2.gz WLCRGJWGYQPQDA-DLBZAZTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001316747514 871991462 /nfs/dbraw/zinc/99/14/62/871991462.db2.gz WLCRGJWGYQPQDA-DLBZAZTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001316747514 871991475 /nfs/dbraw/zinc/99/14/75/871991475.db2.gz WLCRGJWGYQPQDA-DLBZAZTESA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001206980225 872879143 /nfs/dbraw/zinc/87/91/43/872879143.db2.gz LZMLMAWNOUNYMY-HYVNUMGLSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207734103 873514130 /nfs/dbraw/zinc/51/41/30/873514130.db2.gz COSICOIBMCFWPC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207734103 873514139 /nfs/dbraw/zinc/51/41/39/873514139.db2.gz COSICOIBMCFWPC-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001208475206 874172857 /nfs/dbraw/zinc/17/28/57/874172857.db2.gz SJBWGYGIGJXANV-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001378203537 874421371 /nfs/dbraw/zinc/42/13/71/874421371.db2.gz SSSUVAFHPPTEBU-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001378203537 874421373 /nfs/dbraw/zinc/42/13/73/874421373.db2.gz SSSUVAFHPPTEBU-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001378203537 874421377 /nfs/dbraw/zinc/42/13/77/874421377.db2.gz SSSUVAFHPPTEBU-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215543915 876745491 /nfs/dbraw/zinc/74/54/91/876745491.db2.gz DGNSQDYPOPYPJI-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379569938 877416573 /nfs/dbraw/zinc/41/65/73/877416573.db2.gz BDVKAGAHCYZQCT-YOEHRIQHSA-N 2 1 314.433 1.494 20 30 DDEDMP C=C1CC[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(=O)OCC)cc1 ZINC001218211089 877420018 /nfs/dbraw/zinc/42/00/18/877420018.db2.gz QKMNZORCYYYDPF-JKSUJKDBSA-N 2 1 304.390 1.416 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357555 878146469 /nfs/dbraw/zinc/14/64/69/878146469.db2.gz BCKLAKZOGXGQGO-PMPSAXMXSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001219357555 878146471 /nfs/dbraw/zinc/14/64/71/878146471.db2.gz BCKLAKZOGXGQGO-PMPSAXMXSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](O)C1 ZINC001219357555 878146473 /nfs/dbraw/zinc/14/64/73/878146473.db2.gz BCKLAKZOGXGQGO-PMPSAXMXSA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](O)C1 ZINC001219357555 878146476 /nfs/dbraw/zinc/14/64/76/878146476.db2.gz BCKLAKZOGXGQGO-PMPSAXMXSA-N 2 1 311.470 1.212 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095669 879495203 /nfs/dbraw/zinc/49/52/03/879495203.db2.gz HIZSLPMXNGTIEC-IXDOHACOSA-N 2 1 317.433 1.027 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221095669 879495219 /nfs/dbraw/zinc/49/52/19/879495219.db2.gz HIZSLPMXNGTIEC-IXDOHACOSA-N 2 1 317.433 1.027 20 30 DDEDMP C#CCNCC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC001357150864 879819422 /nfs/dbraw/zinc/81/94/22/879819422.db2.gz LNUVFVMGFKHMFY-UHFFFAOYSA-N 2 1 319.836 1.597 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089772 880236028 /nfs/dbraw/zinc/23/60/28/880236028.db2.gz VSSJFIBAFGNULB-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089772 880236039 /nfs/dbraw/zinc/23/60/39/880236039.db2.gz VSSJFIBAFGNULB-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222092927 880242592 /nfs/dbraw/zinc/24/25/92/880242592.db2.gz XNFWUBSMNYGYPP-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222092927 880242604 /nfs/dbraw/zinc/24/26/04/880242604.db2.gz XNFWUBSMNYGYPP-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001276829664 880426490 /nfs/dbraw/zinc/42/64/90/880426490.db2.gz JIKPLNMXHVDMSK-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH2+]CCC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001277330014 883673963 /nfs/dbraw/zinc/67/39/63/883673963.db2.gz WKRSNDCXWUIPCL-CQSZACIVSA-N 2 1 311.389 1.389 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001277345991 883754866 /nfs/dbraw/zinc/75/48/66/883754866.db2.gz PAOXRNUDFLKVQZ-IKGGRYGDSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001277345991 883754882 /nfs/dbraw/zinc/75/48/82/883754882.db2.gz PAOXRNUDFLKVQZ-IKGGRYGDSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001280872307 885996453 /nfs/dbraw/zinc/99/64/53/885996453.db2.gz FYACJSAJWAZOSU-IAGOWNOFSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001277938080 888570586 /nfs/dbraw/zinc/57/05/86/888570586.db2.gz NZEADVWSMKCKSQ-QGZVFWFLSA-N 2 1 315.461 1.621 20 30 DDEDMP N#C[C@@H]1C[C@H]([N@H+]2CC[C@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)CCN1 ZINC001246687318 892786123 /nfs/dbraw/zinc/78/61/23/892786123.db2.gz WGLQCTOWCCWKJM-WCIQWLHISA-N 2 1 324.472 1.884 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366272759 892978811 /nfs/dbraw/zinc/97/88/11/892978811.db2.gz UAOGPKUGCCSPKA-BBRMVZONSA-N 2 1 300.406 1.247 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001252551534 895268599 /nfs/dbraw/zinc/26/85/99/895268599.db2.gz VNBBEKZUWVAJBU-YJBOKZPZSA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001252551534 895268610 /nfs/dbraw/zinc/26/86/10/895268610.db2.gz VNBBEKZUWVAJBU-YJBOKZPZSA-N 2 1 324.465 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC001262041314 899910546 /nfs/dbraw/zinc/91/05/46/899910546.db2.gz UHWLGCLYZYNDIB-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](CC)C2)C1 ZINC001262041314 899910558 /nfs/dbraw/zinc/91/05/58/899910558.db2.gz UHWLGCLYZYNDIB-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](CC)C2)C1 ZINC001262041314 899910565 /nfs/dbraw/zinc/91/05/65/899910565.db2.gz UHWLGCLYZYNDIB-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](CC)C2)C1 ZINC001262041314 899910573 /nfs/dbraw/zinc/91/05/73/899910573.db2.gz UHWLGCLYZYNDIB-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(C)on2)CC1 ZINC001262568309 900250455 /nfs/dbraw/zinc/25/04/55/900250455.db2.gz RIPZOHCWOXYWRI-UHFFFAOYSA-N 2 1 304.394 1.389 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001369270313 900927246 /nfs/dbraw/zinc/92/72/46/900927246.db2.gz GGSAXXZZHOGFLS-GXTWGEPZSA-N 2 1 324.856 1.943 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265454289 902033655 /nfs/dbraw/zinc/03/36/55/902033655.db2.gz KYYWTIIOTVFKCY-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CC#CC)CC1 ZINC001266111892 902963212 /nfs/dbraw/zinc/96/32/12/902963212.db2.gz CMQQUFUEQPYZJP-UHFFFAOYSA-N 2 1 303.450 1.183 20 30 DDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001279164658 903187700 /nfs/dbraw/zinc/18/77/00/903187700.db2.gz VIORUHSUROCDQZ-AWEZNQCLSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001280274129 903576491 /nfs/dbraw/zinc/57/64/91/903576491.db2.gz LPRHXNCOOYZJHQ-AWEZNQCLSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001281137010 904458916 /nfs/dbraw/zinc/45/89/16/904458916.db2.gz IBKAUUPLXUORPK-AEFFLSMTSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001283043366 906523263 /nfs/dbraw/zinc/52/32/63/906523263.db2.gz MMGXBBKYWVPSLD-KKUMJFAQSA-N 2 1 302.422 1.514 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001284154384 908559800 /nfs/dbraw/zinc/55/98/00/908559800.db2.gz OFUAYGPCIBXFEY-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001284154384 908559813 /nfs/dbraw/zinc/55/98/13/908559813.db2.gz OFUAYGPCIBXFEY-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001394322307 909338629 /nfs/dbraw/zinc/33/86/29/909338629.db2.gz CSNNJAGTQGDPLS-UONOGXRCSA-N 2 1 317.861 1.286 20 30 DDEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000089120802 353760034 /nfs/dbraw/zinc/76/00/34/353760034.db2.gz JLETYXPQHXSAKI-UHFFFAOYSA-N 2 1 305.466 1.855 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000594444264 356218112 /nfs/dbraw/zinc/21/81/12/356218112.db2.gz NMKAZSAXBHCYDQ-HOTGVXAUSA-N 2 1 318.396 1.710 20 30 DDEDMP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000330215097 283164755 /nfs/dbraw/zinc/16/47/55/283164755.db2.gz MDRRYTWGPRHPNF-BBRMVZONSA-N 2 1 303.410 1.140 20 30 DDEDMP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000330215097 283164759 /nfs/dbraw/zinc/16/47/59/283164759.db2.gz MDRRYTWGPRHPNF-BBRMVZONSA-N 2 1 303.410 1.140 20 30 DDEDMP CN(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602334402 358935616 /nfs/dbraw/zinc/93/56/16/358935616.db2.gz RFWZNAJCPJDGRT-SJLPKXTDSA-N 2 1 314.433 1.469 20 30 DDEDMP C[N@H+](Cc1cccc(C#N)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602654575 359102295 /nfs/dbraw/zinc/10/22/95/359102295.db2.gz DBHSCSAEVUJADW-GOSISDBHSA-N 2 1 313.449 1.554 20 30 DDEDMP C[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602654575 359102301 /nfs/dbraw/zinc/10/23/01/359102301.db2.gz DBHSCSAEVUJADW-GOSISDBHSA-N 2 1 313.449 1.554 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876057 359259902 /nfs/dbraw/zinc/25/99/02/359259902.db2.gz CMQTYQFDXQBHNQ-RDJZCZTQSA-N 2 1 320.481 1.847 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603111399 359409225 /nfs/dbraw/zinc/40/92/25/359409225.db2.gz QAICAWHTOFTTDC-MRXNPFEDSA-N 2 1 308.470 1.945 20 30 DDEDMP COCC[N@@H+](C)CCCNCc1cnc2ccc(C#N)cn12 ZINC000123282233 407324316 /nfs/dbraw/zinc/32/43/16/407324316.db2.gz POBDEBROFKDCBW-UHFFFAOYSA-N 2 1 301.394 1.264 20 30 DDEDMP COCCN(C)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123282233 407324317 /nfs/dbraw/zinc/32/43/17/407324317.db2.gz POBDEBROFKDCBW-UHFFFAOYSA-N 2 1 301.394 1.264 20 30 DDEDMP C[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000104170636 407348301 /nfs/dbraw/zinc/34/83/01/407348301.db2.gz ZVJJJCXQARNIOW-MRXNPFEDSA-N 2 1 317.481 1.676 20 30 DDEDMP CN(CCC[N@@H+](C)CC#Cc1ccc(F)cc1)CC[NH+](C)C ZINC000289514928 409280705 /nfs/dbraw/zinc/28/07/05/409280705.db2.gz VGOVCVHENLZXKN-UHFFFAOYSA-N 2 1 305.441 1.993 20 30 DDEDMP CCc1ccc([C@@H](O)CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000285184549 409402398 /nfs/dbraw/zinc/40/23/98/409402398.db2.gz UYKQNLLIXVPECF-IRXDYDNUSA-N 2 1 318.465 1.671 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000296303890 409497168 /nfs/dbraw/zinc/49/71/68/409497168.db2.gz FXSYMJKJXBYLQT-UHFFFAOYSA-N 2 1 317.437 1.446 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000296303890 409497171 /nfs/dbraw/zinc/49/71/71/409497171.db2.gz FXSYMJKJXBYLQT-UHFFFAOYSA-N 2 1 317.437 1.446 20 30 DDEDMP Cn1ccnc1N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000328748418 409967677 /nfs/dbraw/zinc/96/76/77/409967677.db2.gz MAXFLLWYHKSSGG-OAHLLOKOSA-N 2 1 317.437 1.972 20 30 DDEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000328748418 409967688 /nfs/dbraw/zinc/96/76/88/409967688.db2.gz MAXFLLWYHKSSGG-OAHLLOKOSA-N 2 1 317.437 1.972 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000297655999 409944109 /nfs/dbraw/zinc/94/41/09/409944109.db2.gz IPNAJHANDSGFRL-CQSZACIVSA-N 2 1 306.410 1.137 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000297655999 409944118 /nfs/dbraw/zinc/94/41/18/409944118.db2.gz IPNAJHANDSGFRL-CQSZACIVSA-N 2 1 306.410 1.137 20 30 DDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](c2nccn2C)C1 ZINC000328862087 409994259 /nfs/dbraw/zinc/99/42/59/409994259.db2.gz LZBKDTBAAOECNN-IPYPFGDCSA-N 2 1 317.437 1.606 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000354883206 410146740 /nfs/dbraw/zinc/14/67/40/410146740.db2.gz JPBVCJAVWBDJJD-UHFFFAOYSA-N 2 1 316.449 1.812 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000354883206 410146745 /nfs/dbraw/zinc/14/67/45/410146745.db2.gz JPBVCJAVWBDJJD-UHFFFAOYSA-N 2 1 316.449 1.812 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)c1cc(C[NH+](C)C)on1 ZINC000359160274 410563861 /nfs/dbraw/zinc/56/38/61/410563861.db2.gz BCRGXXTUVJUUFA-UHFFFAOYSA-N 2 1 307.398 1.044 20 30 DDEDMP [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000330274923 410607579 /nfs/dbraw/zinc/60/75/79/410607579.db2.gz KUOHTVDFLMCGDS-ZIAGYGMSSA-N 2 1 303.410 1.282 20 30 DDEDMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000353670052 411104109 /nfs/dbraw/zinc/10/41/09/411104109.db2.gz GCMRSCHSPIFEBD-SFHVURJKSA-N 2 1 314.433 1.183 20 30 DDEDMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000353670052 411104114 /nfs/dbraw/zinc/10/41/14/411104114.db2.gz GCMRSCHSPIFEBD-SFHVURJKSA-N 2 1 314.433 1.183 20 30 DDEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261656804 222252863 /nfs/dbraw/zinc/25/28/63/222252863.db2.gz AEPPFABDAFACOP-IINYFYTJSA-N 2 1 321.494 1.908 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261770961 222257780 /nfs/dbraw/zinc/25/77/80/222257780.db2.gz NCGGOCCLUFCDCH-NWANDNLSSA-N 2 1 308.470 1.449 20 30 DDEDMP C[NH+]=C(NCc1cccs1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262439703 222281397 /nfs/dbraw/zinc/28/13/97/222281397.db2.gz MZWVOMNNCUSHQC-AWEZNQCLSA-N 2 1 312.508 1.850 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000262465320 222282450 /nfs/dbraw/zinc/28/24/50/222282450.db2.gz XJWIUWWZLULDMV-VDHUWJSZSA-N 2 1 312.461 1.961 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn2ccc(C)cc2n1 ZINC000264101607 222318518 /nfs/dbraw/zinc/31/85/18/222318518.db2.gz OGOISVZXBYJWLN-HNNXBMFYSA-N 2 1 314.437 1.531 20 30 DDEDMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000368845778 418725880 /nfs/dbraw/zinc/72/58/80/418725880.db2.gz NSMWUNJRPXGMOK-XJKSGUPXSA-N 2 1 323.400 1.995 20 30 DDEDMP CN(CCCN1CC[NH+](C)CC1)Cc1cccc(F)c1C#N ZINC000428296666 419843922 /nfs/dbraw/zinc/84/39/22/419843922.db2.gz YFXOJMXILCENOW-UHFFFAOYSA-N 2 1 304.413 1.767 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000530335791 421594439 /nfs/dbraw/zinc/59/44/39/421594439.db2.gz XBJMPYDYBBDGIE-QLFBSQMISA-N 2 1 315.421 1.717 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000530335791 421594442 /nfs/dbraw/zinc/59/44/42/421594442.db2.gz XBJMPYDYBBDGIE-QLFBSQMISA-N 2 1 315.421 1.717 20 30 DDEDMP CC1CC(C#N)(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000531554778 421638131 /nfs/dbraw/zinc/63/81/31/421638131.db2.gz ZABYXTDSWOQIBS-UHFFFAOYSA-N 2 1 306.454 1.411 20 30 DDEDMP CC1CC(C#N)(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000531554778 421638134 /nfs/dbraw/zinc/63/81/34/421638134.db2.gz ZABYXTDSWOQIBS-UHFFFAOYSA-N 2 1 306.454 1.411 20 30 DDEDMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000570624592 421658367 /nfs/dbraw/zinc/65/83/67/421658367.db2.gz JSPNRFODFLBULA-JLAWEPINSA-N 2 1 312.461 1.884 20 30 DDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000580948040 421870380 /nfs/dbraw/zinc/87/03/80/421870380.db2.gz XHPHEHITUYNAHE-IRXDYDNUSA-N 2 1 317.433 1.619 20 30 DDEDMP C=CC[C@H](CO)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720530 422586842 /nfs/dbraw/zinc/58/68/42/422586842.db2.gz LEAJQEDJOZEDDS-ZWKOTPCHSA-N 2 1 304.434 1.398 20 30 DDEDMP C=CC[C@H](CO)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720530 422586847 /nfs/dbraw/zinc/58/68/47/422586847.db2.gz LEAJQEDJOZEDDS-ZWKOTPCHSA-N 2 1 304.434 1.398 20 30 DDEDMP C=CC[C@@]1(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662758928 424758761 /nfs/dbraw/zinc/75/87/61/424758761.db2.gz VISKNUPHWYPSMI-WMZOPIPTSA-N 2 1 322.497 1.075 20 30 DDEDMP C#CCNC(=O)CC[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000491383265 275383224 /nfs/dbraw/zinc/38/32/24/275383224.db2.gz LHMOFUZORFHRJR-INIZCTEOSA-N 2 1 301.434 1.626 20 30 DDEDMP C[C@H](CC[NH2+]Cc1cnc2c(C#N)cnn2c1)[NH+]1CCCCC1 ZINC000582003254 325951752 /nfs/dbraw/zinc/95/17/52/325951752.db2.gz CGHYQQHOHCXUJW-CQSZACIVSA-N 2 1 312.421 1.955 20 30 DDEDMP C=CCCn1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nn1 ZINC000655942792 484045392 /nfs/dbraw/zinc/04/53/92/484045392.db2.gz YXEALXIJNBAEBZ-OIISXLGYSA-N 2 1 319.453 1.715 20 30 DDEDMP C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nn1 ZINC000655942792 484045395 /nfs/dbraw/zinc/04/53/95/484045395.db2.gz YXEALXIJNBAEBZ-OIISXLGYSA-N 2 1 319.453 1.715 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1=O ZINC000337481947 526469511 /nfs/dbraw/zinc/46/95/11/526469511.db2.gz WINTVSIFUBDCFO-QGZVFWFLSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000343764180 526593474 /nfs/dbraw/zinc/59/34/74/526593474.db2.gz WQTQWNFKSWJVNS-GOEBONIOSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000491428988 526815999 /nfs/dbraw/zinc/81/59/99/526815999.db2.gz RQPPNUWYNPYDIO-MRXNPFEDSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000491617939 526827588 /nfs/dbraw/zinc/82/75/88/526827588.db2.gz DAZZIKPCWLPRJC-UHFFFAOYSA-N 2 1 309.360 1.838 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000491617939 526827592 /nfs/dbraw/zinc/82/75/92/526827592.db2.gz DAZZIKPCWLPRJC-UHFFFAOYSA-N 2 1 309.360 1.838 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491352175 526986375 /nfs/dbraw/zinc/98/63/75/526986375.db2.gz YAVTYBAIDCTPEM-FUHWJXTLSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000491352175 526986380 /nfs/dbraw/zinc/98/63/80/526986380.db2.gz YAVTYBAIDCTPEM-FUHWJXTLSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCCC2)C1 ZINC000971703719 695068977 /nfs/dbraw/zinc/06/89/77/695068977.db2.gz MDEOKPSEEGFIQF-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000971703719 695068980 /nfs/dbraw/zinc/06/89/80/695068980.db2.gz MDEOKPSEEGFIQF-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CCCC2)C1 ZINC000971703719 695068983 /nfs/dbraw/zinc/06/89/83/695068983.db2.gz MDEOKPSEEGFIQF-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CCCC2)C1 ZINC000971703719 695068986 /nfs/dbraw/zinc/06/89/86/695068986.db2.gz MDEOKPSEEGFIQF-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577912 695689074 /nfs/dbraw/zinc/68/90/74/695689074.db2.gz OTLNRPSLICDBRA-JKSUJKDBSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974681843 695710654 /nfs/dbraw/zinc/71/06/54/695710654.db2.gz MJHPMYVYGMFTHO-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974681843 695710656 /nfs/dbraw/zinc/71/06/56/695710656.db2.gz MJHPMYVYGMFTHO-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681843 695710658 /nfs/dbraw/zinc/71/06/58/695710658.db2.gz MJHPMYVYGMFTHO-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681843 695710660 /nfs/dbraw/zinc/71/06/60/695710660.db2.gz MJHPMYVYGMFTHO-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974967546 695769184 /nfs/dbraw/zinc/76/91/84/695769184.db2.gz FFTUNQMQYCDTOU-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974967546 695769185 /nfs/dbraw/zinc/76/91/85/695769185.db2.gz FFTUNQMQYCDTOU-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974967546 695769186 /nfs/dbraw/zinc/76/91/86/695769186.db2.gz FFTUNQMQYCDTOU-HRCADAONSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978401885 696376795 /nfs/dbraw/zinc/37/67/95/696376795.db2.gz PQLRFHZBJRYXOF-PHZGNYQRSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980173053 696699492 /nfs/dbraw/zinc/69/94/92/696699492.db2.gz DRBYWDXWNKBJOQ-YESZJQIVSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC000981927177 696971785 /nfs/dbraw/zinc/97/17/85/696971785.db2.gz KARMDXYPFFNKNX-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052528 697015511 /nfs/dbraw/zinc/01/55/11/697015511.db2.gz NWGRFEHJTPLAME-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052528 697015513 /nfs/dbraw/zinc/01/55/13/697015513.db2.gz NWGRFEHJTPLAME-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052528 697015516 /nfs/dbraw/zinc/01/55/16/697015516.db2.gz NWGRFEHJTPLAME-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000981483049 697108069 /nfs/dbraw/zinc/10/80/69/697108069.db2.gz DEISVZPFNDRBGU-OAHLLOKOSA-N 2 1 302.422 1.556 20 30 DDEDMP C=C(C)CN1CCCN(C(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC000981483049 697108071 /nfs/dbraw/zinc/10/80/71/697108071.db2.gz DEISVZPFNDRBGU-OAHLLOKOSA-N 2 1 302.422 1.556 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCc2ccccc21 ZINC000174058280 697383510 /nfs/dbraw/zinc/38/35/10/697383510.db2.gz INEIGIQJMAHOEL-MRXNPFEDSA-N 2 1 316.449 1.343 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000985594574 697538555 /nfs/dbraw/zinc/53/85/55/697538555.db2.gz XEEPBIGZMSKBAZ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000985594574 697538556 /nfs/dbraw/zinc/53/85/56/697538556.db2.gz XEEPBIGZMSKBAZ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000985594574 697538557 /nfs/dbraw/zinc/53/85/57/697538557.db2.gz XEEPBIGZMSKBAZ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]CC[N@@H+]1CCCOCC1 ZINC000187855798 697550565 /nfs/dbraw/zinc/55/05/65/697550565.db2.gz HWKWFIRAKYOOSP-UHFFFAOYSA-N 2 1 304.438 1.416 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]CC[N@H+]1CCCOCC1 ZINC000187855798 697550567 /nfs/dbraw/zinc/55/05/67/697550567.db2.gz HWKWFIRAKYOOSP-UHFFFAOYSA-N 2 1 304.438 1.416 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000985788998 697573779 /nfs/dbraw/zinc/57/37/79/697573779.db2.gz GFSIPECILVBBPK-HNNXBMFYSA-N 2 1 309.454 1.064 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H]1c1ccccc1 ZINC000303780385 698606330 /nfs/dbraw/zinc/60/63/30/698606330.db2.gz LHLSBFJFEANHQC-HOTGVXAUSA-N 2 1 302.422 1.169 20 30 DDEDMP COCC[N@H+]1CCC[C@@H]1C[NH+]=C(NCc1ccccc1)N(C)C ZINC000303976995 698611768 /nfs/dbraw/zinc/61/17/68/698611768.db2.gz KPXFOVZVWWJKFT-QGZVFWFLSA-N 2 1 318.465 1.805 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H](OC)C1(CC)CC ZINC000305061225 698629687 /nfs/dbraw/zinc/62/96/87/698629687.db2.gz GFTJGSAOBDOZIC-ILXRZTDVSA-N 2 1 310.486 1.969 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483344 698639575 /nfs/dbraw/zinc/63/95/75/698639575.db2.gz SUMKINCVUBMYRK-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000989483344 698639577 /nfs/dbraw/zinc/63/95/77/698639577.db2.gz SUMKINCVUBMYRK-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CCc1nn(C)c(CC)c1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000305303804 698644562 /nfs/dbraw/zinc/64/45/62/698644562.db2.gz IDGYZZLISORXCQ-CYBMUJFWSA-N 2 1 320.485 1.434 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989616472 698695758 /nfs/dbraw/zinc/69/57/58/698695758.db2.gz WIKGGQQTPQGFCZ-UKRRQHHQSA-N 2 1 309.373 1.093 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000754398627 700500186 /nfs/dbraw/zinc/50/01/86/700500186.db2.gz JDXQLXVBAWZWDQ-BBWFWOEESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000754398627 700500189 /nfs/dbraw/zinc/50/01/89/700500189.db2.gz JDXQLXVBAWZWDQ-BBWFWOEESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000754398627 700500192 /nfs/dbraw/zinc/50/01/92/700500192.db2.gz JDXQLXVBAWZWDQ-BBWFWOEESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000754398627 700500195 /nfs/dbraw/zinc/50/01/95/700500195.db2.gz JDXQLXVBAWZWDQ-BBWFWOEESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000754398630 700500234 /nfs/dbraw/zinc/50/02/34/700500234.db2.gz JDXQLXVBAWZWDQ-ZACQAIPSSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000754398630 700500237 /nfs/dbraw/zinc/50/02/37/700500237.db2.gz JDXQLXVBAWZWDQ-ZACQAIPSSA-N 2 1 321.465 1.090 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1CC#N ZINC000869237762 702526602 /nfs/dbraw/zinc/52/66/02/702526602.db2.gz VCLGQYZLJJSTIV-ZDUSSCGKSA-N 2 1 322.478 1.816 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1CC#N ZINC000869237762 702526609 /nfs/dbraw/zinc/52/66/09/702526609.db2.gz VCLGQYZLJJSTIV-ZDUSSCGKSA-N 2 1 322.478 1.816 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000844051450 702963049 /nfs/dbraw/zinc/96/30/49/702963049.db2.gz QABMKPHPSHCSEV-SJORKVTESA-N 2 1 301.434 1.566 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702968 706769259 /nfs/dbraw/zinc/76/92/59/706769259.db2.gz FRHRWSASXCIAHF-WBMJQRKESA-N 2 1 310.442 1.084 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866702968 706769262 /nfs/dbraw/zinc/76/92/62/706769262.db2.gz FRHRWSASXCIAHF-WBMJQRKESA-N 2 1 310.442 1.084 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876716460 705835870 /nfs/dbraw/zinc/83/58/70/705835870.db2.gz GFJCGJVFXRCJOU-XQQFMLRXSA-N 2 1 303.834 1.072 20 30 DDEDMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877450862 706110172 /nfs/dbraw/zinc/11/01/72/706110172.db2.gz HCJUNOUSIDXVPQ-KURKYZTESA-N 2 1 324.428 1.440 20 30 DDEDMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877450862 706110174 /nfs/dbraw/zinc/11/01/74/706110174.db2.gz HCJUNOUSIDXVPQ-KURKYZTESA-N 2 1 324.428 1.440 20 30 DDEDMP N#Cc1ccc(NCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)nc1 ZINC000927167518 712948403 /nfs/dbraw/zinc/94/84/03/712948403.db2.gz KUPCREDHPJGACL-INIZCTEOSA-N 2 1 315.421 1.208 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000836347740 707444333 /nfs/dbraw/zinc/44/43/33/707444333.db2.gz IUDQGMDHLCGJRG-YESZJQIVSA-N 2 1 322.497 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000882624164 707721593 /nfs/dbraw/zinc/72/15/93/707721593.db2.gz ABNHXZVYZTXDEA-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000882624164 707721597 /nfs/dbraw/zinc/72/15/97/707721597.db2.gz ABNHXZVYZTXDEA-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C=CCN1CC[C@H]([N@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C1=O ZINC000873209852 707769943 /nfs/dbraw/zinc/76/99/43/707769943.db2.gz UHPQFPKZSSEGEN-AWEZNQCLSA-N 2 1 305.447 1.613 20 30 DDEDMP C=CCN1CC[C@H]([N@@H+](C)Cc2cc3c(s2)CC[NH2+]C3)C1=O ZINC000873209852 707769947 /nfs/dbraw/zinc/76/99/47/707769947.db2.gz UHPQFPKZSSEGEN-AWEZNQCLSA-N 2 1 305.447 1.613 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000884057212 708120572 /nfs/dbraw/zinc/12/05/72/708120572.db2.gz YRBKZEBWSZMYFU-ZACQAIPSSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000884057212 708120575 /nfs/dbraw/zinc/12/05/75/708120575.db2.gz YRBKZEBWSZMYFU-ZACQAIPSSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000884057212 708120577 /nfs/dbraw/zinc/12/05/77/708120577.db2.gz YRBKZEBWSZMYFU-ZACQAIPSSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000884057212 708120580 /nfs/dbraw/zinc/12/05/80/708120580.db2.gz YRBKZEBWSZMYFU-ZACQAIPSSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000884233327 708203154 /nfs/dbraw/zinc/20/31/54/708203154.db2.gz OCNRMHBWONEATP-OFLPRAFFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000884233327 708203156 /nfs/dbraw/zinc/20/31/56/708203156.db2.gz OCNRMHBWONEATP-OFLPRAFFSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000884261363 708214520 /nfs/dbraw/zinc/21/45/20/708214520.db2.gz JYKQHIWOMTUCCP-HOCLYGCPSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000884261363 708214524 /nfs/dbraw/zinc/21/45/24/708214524.db2.gz JYKQHIWOMTUCCP-HOCLYGCPSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C1 ZINC000884261363 708214526 /nfs/dbraw/zinc/21/45/26/708214526.db2.gz JYKQHIWOMTUCCP-HOCLYGCPSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000884261363 708214530 /nfs/dbraw/zinc/21/45/30/708214530.db2.gz JYKQHIWOMTUCCP-HOCLYGCPSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000884261363 708214534 /nfs/dbraw/zinc/21/45/34/708214534.db2.gz JYKQHIWOMTUCCP-HOCLYGCPSA-N 2 1 304.438 1.034 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1 ZINC000886661292 708808718 /nfs/dbraw/zinc/80/87/18/708808718.db2.gz QWXKAAQGZFRDNP-FHWLQOOXSA-N 2 1 321.509 1.811 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000887639903 709088648 /nfs/dbraw/zinc/08/86/48/709088648.db2.gz GXDRONPFNDOKFO-INIZCTEOSA-N 2 1 306.454 1.259 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000887639903 709088653 /nfs/dbraw/zinc/08/86/53/709088653.db2.gz GXDRONPFNDOKFO-INIZCTEOSA-N 2 1 306.454 1.259 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C(C)(C)CC2)C1 ZINC000890361753 709835324 /nfs/dbraw/zinc/83/53/24/709835324.db2.gz ZAFYGVSIXLHSNW-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C(C)(C)CC2)C1 ZINC000890361753 709835329 /nfs/dbraw/zinc/83/53/29/709835329.db2.gz ZAFYGVSIXLHSNW-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000890361753 709835333 /nfs/dbraw/zinc/83/53/33/709835333.db2.gz ZAFYGVSIXLHSNW-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000890361753 709835336 /nfs/dbraw/zinc/83/53/36/709835336.db2.gz ZAFYGVSIXLHSNW-OAHLLOKOSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC000908572838 712810703 /nfs/dbraw/zinc/81/07/03/712810703.db2.gz CWZOMSIPNZKYHN-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000963833244 717920398 /nfs/dbraw/zinc/92/03/98/717920398.db2.gz OETIJYUNTVCLSY-JCYILVPMSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000963833244 717920403 /nfs/dbraw/zinc/92/04/03/717920403.db2.gz OETIJYUNTVCLSY-JCYILVPMSA-N 2 1 321.465 1.088 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC000961942676 717256815 /nfs/dbraw/zinc/25/68/15/717256815.db2.gz CYDZBMIPHXBZKJ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961942676 717256821 /nfs/dbraw/zinc/25/68/21/717256821.db2.gz CYDZBMIPHXBZKJ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC000961942676 717256826 /nfs/dbraw/zinc/25/68/26/717256826.db2.gz CYDZBMIPHXBZKJ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942305619 717608435 /nfs/dbraw/zinc/60/84/35/717608435.db2.gz UNIFTWRKCOCBRK-YOEHRIQHSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000965933235 717821937 /nfs/dbraw/zinc/82/19/37/717821937.db2.gz URZKWYQBBYUGAU-HVEGKCCWSA-N 2 1 303.450 1.511 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944169303 718265121 /nfs/dbraw/zinc/26/51/21/718265121.db2.gz NOYFEMZQEGGOBR-HOCLYGCPSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC[C@@H]2C1 ZINC000946902724 718939909 /nfs/dbraw/zinc/93/99/09/718939909.db2.gz WPKJXMVCLUHBOH-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902724 718939911 /nfs/dbraw/zinc/93/99/11/718939911.db2.gz WPKJXMVCLUHBOH-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC[C@@H]2C1 ZINC000946902724 718939914 /nfs/dbraw/zinc/93/99/14/718939914.db2.gz WPKJXMVCLUHBOH-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551195 719208396 /nfs/dbraw/zinc/20/83/96/719208396.db2.gz GUFMFCODYJYSTH-GDBMZVCRSA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933542 719311234 /nfs/dbraw/zinc/31/12/34/719311234.db2.gz CAFWDZYGFJVPPC-UONOGXRCSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947933542 719311236 /nfs/dbraw/zinc/31/12/36/719311236.db2.gz CAFWDZYGFJVPPC-UONOGXRCSA-N 2 1 311.857 1.804 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@H](C)C2)CC1 ZINC000948070366 719349569 /nfs/dbraw/zinc/34/95/69/719349569.db2.gz ORCHRTXPGUKKSC-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948071579 719350350 /nfs/dbraw/zinc/35/03/50/719350350.db2.gz ZAOUHAZVIQCOBH-RDJZCZTQSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000948553566 719543688 /nfs/dbraw/zinc/54/36/88/719543688.db2.gz IRVHQVGBWGTFLX-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000948553566 719543691 /nfs/dbraw/zinc/54/36/91/719543691.db2.gz IRVHQVGBWGTFLX-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000948553566 719543693 /nfs/dbraw/zinc/54/36/93/719543693.db2.gz IRVHQVGBWGTFLX-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000968881916 719839624 /nfs/dbraw/zinc/83/96/24/719839624.db2.gz BWDVMCLINNHOGA-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968881916 719839630 /nfs/dbraw/zinc/83/96/30/719839630.db2.gz BWDVMCLINNHOGA-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000968881916 719839636 /nfs/dbraw/zinc/83/96/36/719839636.db2.gz BWDVMCLINNHOGA-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153990 719980278 /nfs/dbraw/zinc/98/02/78/719980278.db2.gz URLDDUABKYFWKR-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153990 719980283 /nfs/dbraw/zinc/98/02/83/719980283.db2.gz URLDDUABKYFWKR-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153990 719980286 /nfs/dbraw/zinc/98/02/86/719980286.db2.gz URLDDUABKYFWKR-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153990 719980291 /nfs/dbraw/zinc/98/02/91/719980291.db2.gz URLDDUABKYFWKR-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000970316051 720705339 /nfs/dbraw/zinc/70/53/39/720705339.db2.gz BAQUIMUZZRCJLW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027615624 738470446 /nfs/dbraw/zinc/47/04/46/738470446.db2.gz XBSWBTUZOAONLX-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001020517699 732457017 /nfs/dbraw/zinc/45/70/17/732457017.db2.gz KYUNWXFHPVUYMN-RBSFLKMASA-N 2 1 302.422 1.567 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001020722690 732645482 /nfs/dbraw/zinc/64/54/82/732645482.db2.gz SATSVKRZWZHXRS-KBUPBQIOSA-N 2 1 311.857 1.993 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021644242 733397920 /nfs/dbraw/zinc/39/79/20/733397920.db2.gz FKSCOEZDIQXWFY-JKSUJKDBSA-N 2 1 302.422 1.772 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670551 733426120 /nfs/dbraw/zinc/42/61/20/733426120.db2.gz LTPZAPHCXONRRP-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670551 733426122 /nfs/dbraw/zinc/42/61/22/733426122.db2.gz LTPZAPHCXONRRP-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670551 733426123 /nfs/dbraw/zinc/42/61/23/733426123.db2.gz LTPZAPHCXONRRP-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027883580 738771656 /nfs/dbraw/zinc/77/16/56/738771656.db2.gz PQVVJQSRYSJRRN-INIZCTEOSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CCN1CCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027883580 738771660 /nfs/dbraw/zinc/77/16/60/738771660.db2.gz PQVVJQSRYSJRRN-INIZCTEOSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027924191 738814694 /nfs/dbraw/zinc/81/46/94/738814694.db2.gz DUDYMWWQTOEKQO-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027924191 738814697 /nfs/dbraw/zinc/81/46/97/738814697.db2.gz DUDYMWWQTOEKQO-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027924191 738814704 /nfs/dbraw/zinc/81/47/04/738814704.db2.gz DUDYMWWQTOEKQO-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929071 738824928 /nfs/dbraw/zinc/82/49/28/738824928.db2.gz ATWAIBBFPUUIFK-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929071 738824934 /nfs/dbraw/zinc/82/49/34/738824934.db2.gz ATWAIBBFPUUIFK-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929071 738824938 /nfs/dbraw/zinc/82/49/38/738824938.db2.gz ATWAIBBFPUUIFK-MSOLQXFVSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001022610425 734635787 /nfs/dbraw/zinc/63/57/87/734635787.db2.gz NWAHDHFIQLPFIT-MCIONIFRSA-N 2 1 322.840 1.743 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001098571663 734869351 /nfs/dbraw/zinc/86/93/51/734869351.db2.gz TXFJYXHVYYNVRA-UHFFFAOYSA-N 2 1 323.481 1.334 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479422 735855589 /nfs/dbraw/zinc/85/55/89/735855589.db2.gz HIQBMUCOAUIACI-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001024479422 735855594 /nfs/dbraw/zinc/85/55/94/735855594.db2.gz HIQBMUCOAUIACI-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001024479422 735855601 /nfs/dbraw/zinc/85/56/01/735855601.db2.gz HIQBMUCOAUIACI-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001024479422 735855607 /nfs/dbraw/zinc/85/56/07/735855607.db2.gz HIQBMUCOAUIACI-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001024522871 735898925 /nfs/dbraw/zinc/89/89/25/735898925.db2.gz KJBBJSNBHXETJA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001024522871 735898931 /nfs/dbraw/zinc/89/89/31/735898931.db2.gz KJBBJSNBHXETJA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024522871 735898935 /nfs/dbraw/zinc/89/89/35/735898935.db2.gz KJBBJSNBHXETJA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001024522871 735898941 /nfs/dbraw/zinc/89/89/41/735898941.db2.gz KJBBJSNBHXETJA-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027981325 738903206 /nfs/dbraw/zinc/90/32/06/738903206.db2.gz MAHMULADDXKMCF-LSDHHAIUSA-N 2 1 300.406 1.049 20 30 DDEDMP CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001027981325 738903208 /nfs/dbraw/zinc/90/32/08/738903208.db2.gz MAHMULADDXKMCF-LSDHHAIUSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444685 738298046 /nfs/dbraw/zinc/29/80/46/738298046.db2.gz ULGKKESOPFWKGY-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001027444685 738298048 /nfs/dbraw/zinc/29/80/48/738298048.db2.gz ULGKKESOPFWKGY-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001027444243 738298246 /nfs/dbraw/zinc/29/82/46/738298246.db2.gz QIRYLEUDSJGOES-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027444243 738298247 /nfs/dbraw/zinc/29/82/47/738298247.db2.gz QIRYLEUDSJGOES-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001027444243 738298248 /nfs/dbraw/zinc/29/82/48/738298248.db2.gz QIRYLEUDSJGOES-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027471910 738325458 /nfs/dbraw/zinc/32/54/58/738325458.db2.gz WRXTXDDALBWMOJ-LSDHHAIUSA-N 2 1 314.433 1.379 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138680 739080743 /nfs/dbraw/zinc/08/07/43/739080743.db2.gz VZTFNGSPHNGRJH-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138680 739080745 /nfs/dbraw/zinc/08/07/45/739080745.db2.gz VZTFNGSPHNGRJH-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000997959501 751419547 /nfs/dbraw/zinc/41/95/47/751419547.db2.gz HAEOBTCTGXJWOC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035410816 751492801 /nfs/dbraw/zinc/49/28/01/751492801.db2.gz FXOQZMVIDKFNFD-INIZCTEOSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001035410816 751492804 /nfs/dbraw/zinc/49/28/04/751492804.db2.gz FXOQZMVIDKFNFD-INIZCTEOSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768100 740013255 /nfs/dbraw/zinc/01/32/55/740013255.db2.gz VWUZVVRHKNENPI-HUUCEWRRSA-N 2 1 302.422 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768100 740013259 /nfs/dbraw/zinc/01/32/59/740013259.db2.gz VWUZVVRHKNENPI-HUUCEWRRSA-N 2 1 302.422 1.378 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1CC ZINC001037878092 751527045 /nfs/dbraw/zinc/52/70/45/751527045.db2.gz XAJZANZOCHLQRS-JKSUJKDBSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087621567 740680835 /nfs/dbraw/zinc/68/08/35/740680835.db2.gz ZUSZPRUVVWBXQC-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728310 740723496 /nfs/dbraw/zinc/72/34/96/740723496.db2.gz PVCDMJMNWJGLHP-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728310 740723499 /nfs/dbraw/zinc/72/34/99/740723499.db2.gz PVCDMJMNWJGLHP-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728310 740723503 /nfs/dbraw/zinc/72/35/03/740723503.db2.gz PVCDMJMNWJGLHP-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1CC ZINC001087840511 740780403 /nfs/dbraw/zinc/78/04/03/740780403.db2.gz AHFOAAWGZBAQNI-ZWKOTPCHSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172983 741094147 /nfs/dbraw/zinc/09/41/47/741094147.db2.gz MZBRWNOJKKQCJG-CABCVRRESA-N 2 1 312.417 1.175 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C1 ZINC001088172983 741094149 /nfs/dbraw/zinc/09/41/49/741094149.db2.gz MZBRWNOJKKQCJG-CABCVRRESA-N 2 1 312.417 1.175 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201087 741104088 /nfs/dbraw/zinc/10/40/88/741104088.db2.gz KIIKDLVEISSCST-SJORKVTESA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001035609985 751715135 /nfs/dbraw/zinc/71/51/35/751715135.db2.gz UDFWJVSJYYNHQH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001035609985 751715139 /nfs/dbraw/zinc/71/51/39/751715139.db2.gz UDFWJVSJYYNHQH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035609985 751715144 /nfs/dbraw/zinc/71/51/44/751715144.db2.gz UDFWJVSJYYNHQH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035609985 751715148 /nfs/dbraw/zinc/71/51/48/751715148.db2.gz UDFWJVSJYYNHQH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035733791 751827882 /nfs/dbraw/zinc/82/78/82/751827882.db2.gz ZUNKBGGERICTNE-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035733791 751827888 /nfs/dbraw/zinc/82/78/88/751827888.db2.gz ZUNKBGGERICTNE-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035779923 751865832 /nfs/dbraw/zinc/86/58/32/751865832.db2.gz YFWBCQOAGQYBKA-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001185548177 744245411 /nfs/dbraw/zinc/24/54/11/744245411.db2.gz KQKLFPGMIQHSLV-DLBZAZTESA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001187034650 744496473 /nfs/dbraw/zinc/49/64/73/744496473.db2.gz KYYWTIIOTVFKCY-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992155663 744640537 /nfs/dbraw/zinc/64/05/37/744640537.db2.gz ZCMDTJQOAQRSLG-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@@H]12 ZINC000992155663 744640539 /nfs/dbraw/zinc/64/05/39/744640539.db2.gz ZCMDTJQOAQRSLG-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190222083 745144237 /nfs/dbraw/zinc/14/42/37/745144237.db2.gz ZRAHUABEOMUMAR-DLBZAZTESA-N 2 1 321.465 1.064 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001191082377 745420751 /nfs/dbraw/zinc/42/07/51/745420751.db2.gz XTSKWVXAQJDCBK-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191082377 745420754 /nfs/dbraw/zinc/42/07/54/745420754.db2.gz XTSKWVXAQJDCBK-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001191082377 745420758 /nfs/dbraw/zinc/42/07/58/745420758.db2.gz XTSKWVXAQJDCBK-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001192378099 745771725 /nfs/dbraw/zinc/77/17/25/745771725.db2.gz SBANODLJCLMGPQ-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001192378099 745771730 /nfs/dbraw/zinc/77/17/30/745771730.db2.gz SBANODLJCLMGPQ-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001192378099 745771732 /nfs/dbraw/zinc/77/17/32/745771732.db2.gz SBANODLJCLMGPQ-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671566 745857545 /nfs/dbraw/zinc/85/75/45/745857545.db2.gz NJTHAYZSTRLXGV-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671566 745857549 /nfs/dbraw/zinc/85/75/49/745857549.db2.gz NJTHAYZSTRLXGV-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671566 745857556 /nfs/dbraw/zinc/85/75/56/745857556.db2.gz NJTHAYZSTRLXGV-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001192917761 745928286 /nfs/dbraw/zinc/92/82/86/745928286.db2.gz SRMVGPDALOIDEE-SJORKVTESA-N 2 1 307.482 1.909 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001193206206 746013224 /nfs/dbraw/zinc/01/32/24/746013224.db2.gz XWIYMFXDLYCLHJ-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001193424063 746104080 /nfs/dbraw/zinc/10/40/80/746104080.db2.gz ITVDDBRHCBCNBN-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424063 746104084 /nfs/dbraw/zinc/10/40/84/746104084.db2.gz ITVDDBRHCBCNBN-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001193424063 746104085 /nfs/dbraw/zinc/10/40/85/746104085.db2.gz ITVDDBRHCBCNBN-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993926581 746377271 /nfs/dbraw/zinc/37/72/71/746377271.db2.gz JRTDBMKHDHLGLV-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001003005408 746900185 /nfs/dbraw/zinc/90/01/85/746900185.db2.gz SOOAMKFWUNABSS-OAHLLOKOSA-N 2 1 300.406 1.364 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634609 748298205 /nfs/dbraw/zinc/29/82/05/748298205.db2.gz HDLHHWCBTHDYHR-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CCCO1 ZINC001200851839 748358989 /nfs/dbraw/zinc/35/89/89/748358989.db2.gz RKKNGQHLALAIOI-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001200894705 748362095 /nfs/dbraw/zinc/36/20/95/748362095.db2.gz VNBNLXSPVYJCNH-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617975 748594315 /nfs/dbraw/zinc/59/43/15/748594315.db2.gz VETAHFXOTWPOTP-QGZVFWFLSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617975 748594321 /nfs/dbraw/zinc/59/43/21/748594321.db2.gz VETAHFXOTWPOTP-QGZVFWFLSA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001044679367 748844799 /nfs/dbraw/zinc/84/47/99/748844799.db2.gz ACHSUGPKZBLPGK-TZMCWYRMSA-N 2 1 310.829 1.913 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001000555575 761931372 /nfs/dbraw/zinc/93/13/72/761931372.db2.gz CTUBFBCUNSGODF-OAHLLOKOSA-N 2 1 309.373 1.095 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358969 749266318 /nfs/dbraw/zinc/26/63/18/749266318.db2.gz SBUPSSSBDUPWGI-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358969 749266323 /nfs/dbraw/zinc/26/63/23/749266323.db2.gz SBUPSSSBDUPWGI-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358969 749266328 /nfs/dbraw/zinc/26/63/28/749266328.db2.gz SBUPSSSBDUPWGI-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358969 749266333 /nfs/dbraw/zinc/26/63/33/749266333.db2.gz SBUPSSSBDUPWGI-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001108344047 761959800 /nfs/dbraw/zinc/95/98/00/761959800.db2.gz HHQQXXLLCKLDTD-KRWDZBQOSA-N 2 1 321.465 1.256 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996627797 749805937 /nfs/dbraw/zinc/80/59/37/749805937.db2.gz ZLYPRVVFCWEGNT-CYBMUJFWSA-N 2 1 310.829 1.771 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C2 ZINC001095415318 749874780 /nfs/dbraw/zinc/87/47/80/749874780.db2.gz VCHKWQLAFJKEGM-IKGGRYGDSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001005416684 750018993 /nfs/dbraw/zinc/01/89/93/750018993.db2.gz XOEWIVIXYDLCOX-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546912 750117013 /nfs/dbraw/zinc/11/70/13/750117013.db2.gz SXIPMDRSXWPLIW-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546912 750117017 /nfs/dbraw/zinc/11/70/17/750117017.db2.gz SXIPMDRSXWPLIW-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546912 750117022 /nfs/dbraw/zinc/11/70/22/750117022.db2.gz SXIPMDRSXWPLIW-ZHALLVOQSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956717 750254939 /nfs/dbraw/zinc/25/49/39/750254939.db2.gz WQOKVGWSDSOXGA-OAGGEKHMSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452252 762043805 /nfs/dbraw/zinc/04/38/05/762043805.db2.gz NOILLXOUBXKERZ-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001039452252 762043814 /nfs/dbraw/zinc/04/38/14/762043814.db2.gz NOILLXOUBXKERZ-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC=C)CC1 ZINC000997150121 750587119 /nfs/dbraw/zinc/58/71/19/750587119.db2.gz USPDFXBWNRYJCV-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC=C)CC1 ZINC000997150121 750587123 /nfs/dbraw/zinc/58/71/23/750587123.db2.gz USPDFXBWNRYJCV-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114501438 750664214 /nfs/dbraw/zinc/66/42/14/750664214.db2.gz BJHVZOOCJBWKNI-ZSHCYNCHSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501438 750664217 /nfs/dbraw/zinc/66/42/17/750664217.db2.gz BJHVZOOCJBWKNI-ZSHCYNCHSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001114501438 750664221 /nfs/dbraw/zinc/66/42/21/750664221.db2.gz BJHVZOOCJBWKNI-ZSHCYNCHSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034737209 750793766 /nfs/dbraw/zinc/79/37/66/750793766.db2.gz HLNDEFUADPTADQ-NGFQHRJXSA-N 2 1 313.873 1.954 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107948918 750817736 /nfs/dbraw/zinc/81/77/36/750817736.db2.gz BHARPVXYINFTRR-AEFFLSMTSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089908329 750859017 /nfs/dbraw/zinc/85/90/17/750859017.db2.gz TTXJGJCGRQJRQL-XSLAGTTESA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001000707538 762115765 /nfs/dbraw/zinc/11/57/65/762115765.db2.gz GYMFWUDVGFVKRS-KRWDZBQOSA-N 2 1 301.434 1.100 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008054262 752523527 /nfs/dbraw/zinc/52/35/27/752523527.db2.gz XZULGIOIAFFNCP-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008054262 752523536 /nfs/dbraw/zinc/52/35/36/752523536.db2.gz XZULGIOIAFFNCP-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999728779 753106123 /nfs/dbraw/zinc/10/61/23/753106123.db2.gz UDLKUMPMDGKEEF-CQSZACIVSA-N 2 1 302.422 1.529 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009586950 753260783 /nfs/dbraw/zinc/26/07/83/753260783.db2.gz DROTYCMBCIHTJZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009586950 753260789 /nfs/dbraw/zinc/26/07/89/753260789.db2.gz DROTYCMBCIHTJZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009586950 753260793 /nfs/dbraw/zinc/26/07/93/753260793.db2.gz DROTYCMBCIHTJZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009586950 753260798 /nfs/dbraw/zinc/26/07/98/753260798.db2.gz DROTYCMBCIHTJZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032724848 753360889 /nfs/dbraw/zinc/36/08/89/753360889.db2.gz DPEZDGKNAMGKKT-ROUUACIJSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001107998037 753402296 /nfs/dbraw/zinc/40/22/96/753402296.db2.gz HHCMRBUXGPPJDM-WBVHZDCISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756869 754496138 /nfs/dbraw/zinc/49/61/38/754496138.db2.gz MKJLBKSLSHNMMF-INIZCTEOSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001079981919 755678602 /nfs/dbraw/zinc/67/86/02/755678602.db2.gz HEICJCYVQRXURU-HLLBOEOZSA-N 2 1 316.449 1.848 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188702 755756187 /nfs/dbraw/zinc/75/61/87/755756187.db2.gz QDDRVHHEGAWZDK-OIISXLGYSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080318262 755848832 /nfs/dbraw/zinc/84/88/32/755848832.db2.gz LYDPWZZUADRNRR-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080318262 755848837 /nfs/dbraw/zinc/84/88/37/755848837.db2.gz LYDPWZZUADRNRR-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318262 755848843 /nfs/dbraw/zinc/84/88/43/755848843.db2.gz LYDPWZZUADRNRR-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318262 755848850 /nfs/dbraw/zinc/84/88/50/755848850.db2.gz LYDPWZZUADRNRR-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080449424 755910085 /nfs/dbraw/zinc/91/00/85/755910085.db2.gz KFCRMLHRZVLBQN-CKEIUWERSA-N 2 1 311.445 1.821 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080449424 755910087 /nfs/dbraw/zinc/91/00/87/755910087.db2.gz KFCRMLHRZVLBQN-CKEIUWERSA-N 2 1 311.445 1.821 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080449424 755910088 /nfs/dbraw/zinc/91/00/88/755910088.db2.gz KFCRMLHRZVLBQN-CKEIUWERSA-N 2 1 311.445 1.821 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2C)CC1 ZINC001080997749 756180380 /nfs/dbraw/zinc/18/03/80/756180380.db2.gz KAVOBRRBWPCAFZ-LZLYRXPVSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001040230339 762448131 /nfs/dbraw/zinc/44/81/31/762448131.db2.gz BDILISZQJHMUTJ-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230339 762448134 /nfs/dbraw/zinc/44/81/34/762448134.db2.gz BDILISZQJHMUTJ-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001040230339 762448137 /nfs/dbraw/zinc/44/81/37/762448137.db2.gz BDILISZQJHMUTJ-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081885090 756508203 /nfs/dbraw/zinc/50/82/03/756508203.db2.gz ZMTHFSLICWPBQM-IXDOHACOSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081885090 756508206 /nfs/dbraw/zinc/50/82/06/756508206.db2.gz ZMTHFSLICWPBQM-IXDOHACOSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081885090 756508211 /nfs/dbraw/zinc/50/82/11/756508211.db2.gz ZMTHFSLICWPBQM-IXDOHACOSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082199953 756674026 /nfs/dbraw/zinc/67/40/26/756674026.db2.gz KKEOBRKVJNTCOI-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001016330409 756931959 /nfs/dbraw/zinc/93/19/59/756931959.db2.gz GKBQKCMGRYQVFH-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC)CC2 ZINC001016670758 757253059 /nfs/dbraw/zinc/25/30/59/757253059.db2.gz SFVIUOSJYRLPMH-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCC)CC2 ZINC001016670758 757253064 /nfs/dbraw/zinc/25/30/64/757253064.db2.gz SFVIUOSJYRLPMH-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001084403545 757561380 /nfs/dbraw/zinc/56/13/80/757561380.db2.gz YTTDUWKATADSKX-BRWVUGGUSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403545 757561387 /nfs/dbraw/zinc/56/13/87/757561387.db2.gz YTTDUWKATADSKX-BRWVUGGUSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001084403545 757561394 /nfs/dbraw/zinc/56/13/94/757561394.db2.gz YTTDUWKATADSKX-BRWVUGGUSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097851844 757603611 /nfs/dbraw/zinc/60/36/11/757603611.db2.gz LXPMGFNELFVBJO-ZXFNITATSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097851844 757603613 /nfs/dbraw/zinc/60/36/13/757603613.db2.gz LXPMGFNELFVBJO-ZXFNITATSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097851844 757603619 /nfs/dbraw/zinc/60/36/19/757603619.db2.gz LXPMGFNELFVBJO-ZXFNITATSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097851844 757603624 /nfs/dbraw/zinc/60/36/24/757603624.db2.gz LXPMGFNELFVBJO-ZXFNITATSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001084599147 757692353 /nfs/dbraw/zinc/69/23/53/757692353.db2.gz QYDHQVVVIVDHTR-BRWVUGGUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084599147 757692359 /nfs/dbraw/zinc/69/23/59/757692359.db2.gz QYDHQVVVIVDHTR-BRWVUGGUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599147 757692365 /nfs/dbraw/zinc/69/23/65/757692365.db2.gz QYDHQVVVIVDHTR-BRWVUGGUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599147 757692371 /nfs/dbraw/zinc/69/23/71/757692371.db2.gz QYDHQVVVIVDHTR-BRWVUGGUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2 ZINC001053807534 758835473 /nfs/dbraw/zinc/83/54/73/758835473.db2.gz LJVBUHUXSQGGMR-OWCLPIDISA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CO2 ZINC001053807534 758835480 /nfs/dbraw/zinc/83/54/80/758835480.db2.gz LJVBUHUXSQGGMR-OWCLPIDISA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053927216 758964450 /nfs/dbraw/zinc/96/44/50/758964450.db2.gz VWXNZVHCIJAFEJ-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001053927216 758964456 /nfs/dbraw/zinc/96/44/56/758964456.db2.gz VWXNZVHCIJAFEJ-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018627462 759044441 /nfs/dbraw/zinc/04/44/41/759044441.db2.gz GQKYSFQQEGFYMI-RYUDHWBXSA-N 2 1 316.243 1.180 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054145165 759222980 /nfs/dbraw/zinc/22/29/80/759222980.db2.gz LMYIFKKBBOXCOS-GOSISDBHSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240163 759331528 /nfs/dbraw/zinc/33/15/28/759331528.db2.gz NTAADJAGDSMCNG-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054240163 759331536 /nfs/dbraw/zinc/33/15/36/759331536.db2.gz NTAADJAGDSMCNG-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054240163 759331543 /nfs/dbraw/zinc/33/15/43/759331543.db2.gz NTAADJAGDSMCNG-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207745 760124961 /nfs/dbraw/zinc/12/49/61/760124961.db2.gz QWUPYABWLHOSIF-FUHWJXTLSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001108207745 760124967 /nfs/dbraw/zinc/12/49/67/760124967.db2.gz QWUPYABWLHOSIF-FUHWJXTLSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817358 760298722 /nfs/dbraw/zinc/29/87/22/760298722.db2.gz WEJJCJYYZZWROI-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817358 760298728 /nfs/dbraw/zinc/29/87/28/760298728.db2.gz WEJJCJYYZZWROI-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001046850599 767983244 /nfs/dbraw/zinc/98/32/44/767983244.db2.gz XNOSFGVDXJSEMD-AUNFYEFLSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001046850599 767983249 /nfs/dbraw/zinc/98/32/49/767983249.db2.gz XNOSFGVDXJSEMD-AUNFYEFLSA-N 2 1 323.868 1.665 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001098404995 760930703 /nfs/dbraw/zinc/93/07/03/760930703.db2.gz YEWGYTNZGYJNNZ-MRXNPFEDSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001098406048 760947745 /nfs/dbraw/zinc/94/77/45/760947745.db2.gz CPJMNITZXKHIDJ-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098406048 760947751 /nfs/dbraw/zinc/94/77/51/760947751.db2.gz CPJMNITZXKHIDJ-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001098406048 760947759 /nfs/dbraw/zinc/94/77/59/760947759.db2.gz CPJMNITZXKHIDJ-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039229992 761863968 /nfs/dbraw/zinc/86/39/68/761863968.db2.gz PCWRVZPFWACILV-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039229992 761863979 /nfs/dbraw/zinc/86/39/79/761863979.db2.gz PCWRVZPFWACILV-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001268674 762711446 /nfs/dbraw/zinc/71/14/46/762711446.db2.gz JVMHFNMMKLKACV-UHFFFAOYSA-N 2 1 311.429 1.743 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764593 762923889 /nfs/dbraw/zinc/92/38/89/762923889.db2.gz QBXFGCLPZYYQIK-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041407747 763010082 /nfs/dbraw/zinc/01/00/82/763010082.db2.gz JAYRAPLSVPXHJC-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041407747 763010090 /nfs/dbraw/zinc/01/00/90/763010090.db2.gz JAYRAPLSVPXHJC-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041407747 763010096 /nfs/dbraw/zinc/01/00/96/763010096.db2.gz JAYRAPLSVPXHJC-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001050047416 763060105 /nfs/dbraw/zinc/06/01/05/763060105.db2.gz YXYCYLFNOONNSP-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047416 763060113 /nfs/dbraw/zinc/06/01/13/763060113.db2.gz YXYCYLFNOONNSP-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001050047416 763060118 /nfs/dbraw/zinc/06/01/18/763060118.db2.gz YXYCYLFNOONNSP-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001041604467 763173261 /nfs/dbraw/zinc/17/32/61/763173261.db2.gz DGVPNRHUCMOQAN-GOSISDBHSA-N 2 1 315.417 1.512 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041675296 763214370 /nfs/dbraw/zinc/21/43/70/763214370.db2.gz ORYPRCRSPAMDAK-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041675296 763214378 /nfs/dbraw/zinc/21/43/78/763214378.db2.gz ORYPRCRSPAMDAK-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041675296 763214387 /nfs/dbraw/zinc/21/43/87/763214387.db2.gz ORYPRCRSPAMDAK-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041835573 763389734 /nfs/dbraw/zinc/38/97/34/763389734.db2.gz UUCXWGNAWMFKOV-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041835573 763389744 /nfs/dbraw/zinc/38/97/44/763389744.db2.gz UUCXWGNAWMFKOV-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837376 763394047 /nfs/dbraw/zinc/39/40/47/763394047.db2.gz GHSFFOSDNTVJGF-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837376 763394053 /nfs/dbraw/zinc/39/40/53/763394053.db2.gz GHSFFOSDNTVJGF-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837376 763394061 /nfs/dbraw/zinc/39/40/61/763394061.db2.gz GHSFFOSDNTVJGF-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837376 763394069 /nfs/dbraw/zinc/39/40/69/763394069.db2.gz GHSFFOSDNTVJGF-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109360607 763604424 /nfs/dbraw/zinc/60/44/24/763604424.db2.gz BVHHXXSYCOBSGG-UGUYLWEFSA-N 2 1 309.429 1.411 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109360607 763604431 /nfs/dbraw/zinc/60/44/31/763604431.db2.gz BVHHXXSYCOBSGG-UGUYLWEFSA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001046953196 768147358 /nfs/dbraw/zinc/14/73/58/768147358.db2.gz HBOKKHBTILJBNI-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001046953196 768147360 /nfs/dbraw/zinc/14/73/60/768147360.db2.gz HBOKKHBTILJBNI-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046953196 768147362 /nfs/dbraw/zinc/14/73/62/768147362.db2.gz HBOKKHBTILJBNI-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001046953196 768147366 /nfs/dbraw/zinc/14/73/66/768147366.db2.gz HBOKKHBTILJBNI-UONOGXRCSA-N 2 1 313.392 1.177 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1([NH+](C)C)CCC1)C2 ZINC001109403491 763662489 /nfs/dbraw/zinc/66/24/89/763662489.db2.gz JJNNKJYAKQKZQI-PMPSAXMXSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156637 763720361 /nfs/dbraw/zinc/72/03/61/763720361.db2.gz JRYYJMMMKQOYGT-YJBOKZPZSA-N 2 1 322.412 1.894 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567757 764411355 /nfs/dbraw/zinc/41/13/55/764411355.db2.gz GYPQYNXVEFJNJR-WMZOPIPTSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001042917391 764523390 /nfs/dbraw/zinc/52/33/90/764523390.db2.gz GOIXTIMRDKXECH-KRWDZBQOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001042917391 764523399 /nfs/dbraw/zinc/52/33/99/764523399.db2.gz GOIXTIMRDKXECH-KRWDZBQOSA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131681659 768259096 /nfs/dbraw/zinc/25/90/96/768259096.db2.gz GBXNTDWCYKGVTO-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653648 766039028 /nfs/dbraw/zinc/03/90/28/766039028.db2.gz OLQAJAWDKKICBM-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653648 766039035 /nfs/dbraw/zinc/03/90/35/766039035.db2.gz OLQAJAWDKKICBM-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653648 766039045 /nfs/dbraw/zinc/03/90/45/766039045.db2.gz OLQAJAWDKKICBM-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653648 766039051 /nfs/dbraw/zinc/03/90/51/766039051.db2.gz OLQAJAWDKKICBM-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001129770879 767000054 /nfs/dbraw/zinc/00/00/54/767000054.db2.gz MOFOAJPRCRMMKV-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCC1CCCCC1 ZINC001129770879 767000066 /nfs/dbraw/zinc/00/00/66/767000066.db2.gz MOFOAJPRCRMMKV-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCC)C[C@@H]2C1 ZINC001048870259 770022644 /nfs/dbraw/zinc/02/26/44/770022644.db2.gz VBPTXRWBUYOTBA-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCC)C[C@@H]2C1 ZINC001048870259 770022659 /nfs/dbraw/zinc/02/26/59/770022659.db2.gz VBPTXRWBUYOTBA-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC)C[C@@H]2C1 ZINC001048870259 770022672 /nfs/dbraw/zinc/02/26/72/770022672.db2.gz VBPTXRWBUYOTBA-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC)C[C@@H]2C1 ZINC001048870259 770022681 /nfs/dbraw/zinc/02/26/81/770022681.db2.gz VBPTXRWBUYOTBA-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872689 770025577 /nfs/dbraw/zinc/02/55/77/770025577.db2.gz CTENBAJXAMAHCK-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048872689 770025590 /nfs/dbraw/zinc/02/55/90/770025590.db2.gz CTENBAJXAMAHCK-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@H]2C1 ZINC001048872689 770025602 /nfs/dbraw/zinc/02/56/02/770025602.db2.gz CTENBAJXAMAHCK-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001049039537 770281819 /nfs/dbraw/zinc/28/18/19/770281819.db2.gz SLSOUWIBNZWZMK-QLFBSQMISA-N 2 1 313.873 1.715 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094531 770360469 /nfs/dbraw/zinc/36/04/69/770360469.db2.gz KMMDIRIZBGNJGI-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049108436 770390501 /nfs/dbraw/zinc/39/05/01/770390501.db2.gz UNARZFUNAOWZJM-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049108436 770390508 /nfs/dbraw/zinc/39/05/08/770390508.db2.gz UNARZFUNAOWZJM-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049108436 770390516 /nfs/dbraw/zinc/39/05/16/770390516.db2.gz UNARZFUNAOWZJM-XMTFNYHQSA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107318 770391280 /nfs/dbraw/zinc/39/12/80/770391280.db2.gz DTRRQJMWTLSALO-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107318 770391292 /nfs/dbraw/zinc/39/12/92/770391292.db2.gz DTRRQJMWTLSALO-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107318 770391297 /nfs/dbraw/zinc/39/12/97/770391297.db2.gz DTRRQJMWTLSALO-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049234451 770581817 /nfs/dbraw/zinc/58/18/17/770581817.db2.gz INFGJCZFEGJKKU-BBWFWOEESA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049653948 771055942 /nfs/dbraw/zinc/05/59/42/771055942.db2.gz FDUWPHPNZJKFOA-ULQDDVLXSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049653948 771055946 /nfs/dbraw/zinc/05/59/46/771055946.db2.gz FDUWPHPNZJKFOA-ULQDDVLXSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049653948 771055952 /nfs/dbraw/zinc/05/59/52/771055952.db2.gz FDUWPHPNZJKFOA-ULQDDVLXSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671913 771072297 /nfs/dbraw/zinc/07/22/97/771072297.db2.gz OEBXQEDCXCXDJE-XSLAGTTESA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671913 771072302 /nfs/dbraw/zinc/07/23/02/771072302.db2.gz OEBXQEDCXCXDJE-XSLAGTTESA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090520614 771183959 /nfs/dbraw/zinc/18/39/59/771183959.db2.gz QNCPBYJICFYNSU-CABCVRRESA-N 2 1 321.421 1.082 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049904767 771248629 /nfs/dbraw/zinc/24/86/29/771248629.db2.gz RIPDGQVJUXHQHT-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049904767 771248632 /nfs/dbraw/zinc/24/86/32/771248632.db2.gz RIPDGQVJUXHQHT-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904767 771248635 /nfs/dbraw/zinc/24/86/35/771248635.db2.gz RIPDGQVJUXHQHT-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049904767 771248637 /nfs/dbraw/zinc/24/86/37/771248637.db2.gz RIPDGQVJUXHQHT-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471540 771527795 /nfs/dbraw/zinc/52/77/95/771527795.db2.gz NWPLACWEVLJYFO-ZIAGYGMSSA-N 2 1 320.437 1.943 20 30 DDEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135678794 771646159 /nfs/dbraw/zinc/64/61/59/771646159.db2.gz ININAMLYDVEUCI-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135811771 771733593 /nfs/dbraw/zinc/73/35/93/771733593.db2.gz SSZDAVMJQDBJOA-UONOGXRCSA-N 2 1 313.405 1.940 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001091029724 772465617 /nfs/dbraw/zinc/46/56/17/772465617.db2.gz UIFIBRNJYFKZMS-AQFXKWCLSA-N 2 1 317.477 1.759 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001160952816 772865500 /nfs/dbraw/zinc/86/55/00/772865500.db2.gz CEFSJMGNKARLSJ-NSHDSACASA-N 2 1 307.829 1.838 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC#CC ZINC001171307877 773158376 /nfs/dbraw/zinc/15/83/76/773158376.db2.gz MJAJHHYNNHAHHY-IRXDYDNUSA-N 2 1 303.450 1.372 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC#CC ZINC001171307877 773158379 /nfs/dbraw/zinc/15/83/79/773158379.db2.gz MJAJHHYNNHAHHY-IRXDYDNUSA-N 2 1 303.450 1.372 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773265 773223907 /nfs/dbraw/zinc/22/39/07/773223907.db2.gz GYCUQNYXLUJRMP-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001147773265 773223909 /nfs/dbraw/zinc/22/39/09/773223909.db2.gz GYCUQNYXLUJRMP-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773265 773223910 /nfs/dbraw/zinc/22/39/10/773223910.db2.gz GYCUQNYXLUJRMP-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001147773265 773223911 /nfs/dbraw/zinc/22/39/11/773223911.db2.gz GYCUQNYXLUJRMP-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956282 773744421 /nfs/dbraw/zinc/74/44/21/773744421.db2.gz JKYMXQPYGAXRPS-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074755435 774102347 /nfs/dbraw/zinc/10/23/47/774102347.db2.gz CSGIBACLESEPPU-SWOOZJHCSA-N 2 1 319.449 1.005 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092675833 774214356 /nfs/dbraw/zinc/21/43/56/774214356.db2.gz NZBCFWPKWGRSSJ-BRWVUGGUSA-N 2 1 305.466 1.282 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675833 774214359 /nfs/dbraw/zinc/21/43/59/774214359.db2.gz NZBCFWPKWGRSSJ-BRWVUGGUSA-N 2 1 305.466 1.282 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675833 774214364 /nfs/dbraw/zinc/21/43/64/774214364.db2.gz NZBCFWPKWGRSSJ-BRWVUGGUSA-N 2 1 305.466 1.282 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036809140 774673271 /nfs/dbraw/zinc/67/32/71/774673271.db2.gz FYNGUSRWKFKXCO-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098844845 774692614 /nfs/dbraw/zinc/69/26/14/774692614.db2.gz LIIDMTRGUAFYPJ-HPFXQQBRSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098844845 774692617 /nfs/dbraw/zinc/69/26/17/774692617.db2.gz LIIDMTRGUAFYPJ-HPFXQQBRSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098844845 774692619 /nfs/dbraw/zinc/69/26/19/774692619.db2.gz LIIDMTRGUAFYPJ-HPFXQQBRSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125735 774852525 /nfs/dbraw/zinc/85/25/25/774852525.db2.gz JXNSPUTVLLNVFV-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C(F)(F)F ZINC001099279245 774931251 /nfs/dbraw/zinc/93/12/51/774931251.db2.gz AXSRKKUBZFNANH-VXGBXAGGSA-N 2 1 316.327 1.356 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340605 774953248 /nfs/dbraw/zinc/95/32/48/774953248.db2.gz WHIWFEHSRVQRAC-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340605 774953252 /nfs/dbraw/zinc/95/32/52/774953252.db2.gz WHIWFEHSRVQRAC-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038477 775603705 /nfs/dbraw/zinc/60/37/05/775603705.db2.gz JSTFDWIIRAWQRM-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038477 775603712 /nfs/dbraw/zinc/60/37/12/775603712.db2.gz JSTFDWIIRAWQRM-HOTGVXAUSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#C)CC2 ZINC001094437734 775873427 /nfs/dbraw/zinc/87/34/27/775873427.db2.gz YRNZKXFKEOMJKA-YQVWRLOYSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#C)CC2 ZINC001094437734 775873435 /nfs/dbraw/zinc/87/34/35/775873435.db2.gz YRNZKXFKEOMJKA-YQVWRLOYSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CC#C)CCC[C@@H]12 ZINC001094437734 775873446 /nfs/dbraw/zinc/87/34/46/775873446.db2.gz YRNZKXFKEOMJKA-YQVWRLOYSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3CC#C)CCC[C@@H]12 ZINC001094437734 775873455 /nfs/dbraw/zinc/87/34/55/775873455.db2.gz YRNZKXFKEOMJKA-YQVWRLOYSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001095008678 776978886 /nfs/dbraw/zinc/97/88/86/776978886.db2.gz IIQHRVULTSUYDW-JYJNAYRXSA-N 2 1 314.433 1.609 20 30 DDEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174912905 777632450 /nfs/dbraw/zinc/63/24/50/777632450.db2.gz HGTMRGGCFMQSNZ-IAGOWNOFSA-N 2 1 323.481 1.384 20 30 DDEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174912905 777632456 /nfs/dbraw/zinc/63/24/56/777632456.db2.gz HGTMRGGCFMQSNZ-IAGOWNOFSA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102190218 777922824 /nfs/dbraw/zinc/92/28/24/777922824.db2.gz WXNINHMIUKBIFV-KBAYOESNSA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150588682 778138546 /nfs/dbraw/zinc/13/85/46/778138546.db2.gz QWFCRAOEKYLUHL-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588682 778138551 /nfs/dbraw/zinc/13/85/51/778138551.db2.gz QWFCRAOEKYLUHL-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588682 778138556 /nfs/dbraw/zinc/13/85/56/778138556.db2.gz QWFCRAOEKYLUHL-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466935 778155542 /nfs/dbraw/zinc/15/55/42/778155542.db2.gz ZOQOFVCAMOKWMI-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466935 778155547 /nfs/dbraw/zinc/15/55/47/778155547.db2.gz ZOQOFVCAMOKWMI-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514909 778179781 /nfs/dbraw/zinc/17/97/81/778179781.db2.gz UNCHIVOMGYMZLB-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514909 778179783 /nfs/dbraw/zinc/17/97/83/778179783.db2.gz UNCHIVOMGYMZLB-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514909 778179785 /nfs/dbraw/zinc/17/97/85/778179785.db2.gz UNCHIVOMGYMZLB-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177119907 778433704 /nfs/dbraw/zinc/43/37/04/778433704.db2.gz QNFUKYHJQJUVGV-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177119907 778433706 /nfs/dbraw/zinc/43/37/06/778433706.db2.gz QNFUKYHJQJUVGV-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001177477345 778634990 /nfs/dbraw/zinc/63/49/90/778634990.db2.gz GAZZFHFOLTVCST-SFHVURJKSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740581 779024283 /nfs/dbraw/zinc/02/42/83/779024283.db2.gz NDDLUSKUKAGQRY-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740581 779024291 /nfs/dbraw/zinc/02/42/91/779024291.db2.gz NDDLUSKUKAGQRY-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740581 779024296 /nfs/dbraw/zinc/02/42/96/779024296.db2.gz NDDLUSKUKAGQRY-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740581 779024301 /nfs/dbraw/zinc/02/43/01/779024301.db2.gz NDDLUSKUKAGQRY-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178827034 779189725 /nfs/dbraw/zinc/18/97/25/779189725.db2.gz CPJNHLQVZIWDED-QGZVFWFLSA-N 2 1 323.481 1.387 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782301 779478900 /nfs/dbraw/zinc/47/89/00/779478900.db2.gz CKXOVMKRPBXHFA-LNLFQRSKSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782301 779478906 /nfs/dbraw/zinc/47/89/06/779478906.db2.gz CKXOVMKRPBXHFA-LNLFQRSKSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001111782301 779478909 /nfs/dbraw/zinc/47/89/09/779478909.db2.gz CKXOVMKRPBXHFA-LNLFQRSKSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115241319 779972008 /nfs/dbraw/zinc/97/20/08/779972008.db2.gz GCLFDYUVWRCLMA-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241319 779972014 /nfs/dbraw/zinc/97/20/14/779972014.db2.gz GCLFDYUVWRCLMA-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115241319 779972020 /nfs/dbraw/zinc/97/20/20/779972020.db2.gz GCLFDYUVWRCLMA-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC001115546396 780228162 /nfs/dbraw/zinc/22/81/62/780228162.db2.gz KKAFTMAYICFKJR-CVEARBPZSA-N 2 1 321.465 1.444 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593254 780254683 /nfs/dbraw/zinc/25/46/83/780254683.db2.gz FFNIUGSAWWYCHT-HZPDHXFCSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593254 780254690 /nfs/dbraw/zinc/25/46/90/780254690.db2.gz FFNIUGSAWWYCHT-HZPDHXFCSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCCCC1 ZINC001115609777 780268147 /nfs/dbraw/zinc/26/81/47/780268147.db2.gz HWUWDRIDLWHJJL-UHFFFAOYSA-N 2 1 320.437 1.945 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001119354654 781417224 /nfs/dbraw/zinc/41/72/24/781417224.db2.gz FSWJOXYRBIIIBF-MRXNPFEDSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC001119354654 781417235 /nfs/dbraw/zinc/41/72/35/781417235.db2.gz FSWJOXYRBIIIBF-MRXNPFEDSA-N 2 1 306.454 1.115 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001267296557 837773323 /nfs/dbraw/zinc/77/33/23/837773323.db2.gz PSZZIPJTEXTHDS-JKSUJKDBSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266336338 836136069 /nfs/dbraw/zinc/13/60/69/836136069.db2.gz NNFNZDXFPFWRFU-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001266336338 836136072 /nfs/dbraw/zinc/13/60/72/836136072.db2.gz NNFNZDXFPFWRFU-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001266336338 836136073 /nfs/dbraw/zinc/13/60/73/836136073.db2.gz NNFNZDXFPFWRFU-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP CC(C)[C@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001266350104 836155979 /nfs/dbraw/zinc/15/59/79/836155979.db2.gz GXJDHRBOPZROCR-GOSISDBHSA-N 2 1 315.461 1.672 20 30 DDEDMP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001266350104 836155990 /nfs/dbraw/zinc/15/59/90/836155990.db2.gz GXJDHRBOPZROCR-GOSISDBHSA-N 2 1 315.461 1.672 20 30 DDEDMP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001266813368 836874468 /nfs/dbraw/zinc/87/44/68/836874468.db2.gz PHWGABGUGMRWFS-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266888968 836999268 /nfs/dbraw/zinc/99/92/68/836999268.db2.gz ABSLPEZEQMCDPZ-JKSUJKDBSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001266888968 836999273 /nfs/dbraw/zinc/99/92/73/836999273.db2.gz ABSLPEZEQMCDPZ-JKSUJKDBSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267531743 838259303 /nfs/dbraw/zinc/25/93/03/838259303.db2.gz XZDGBAYMRDYKNY-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267531743 838259311 /nfs/dbraw/zinc/25/93/11/838259311.db2.gz XZDGBAYMRDYKNY-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267531743 838259321 /nfs/dbraw/zinc/25/93/21/838259321.db2.gz XZDGBAYMRDYKNY-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267597427 838397161 /nfs/dbraw/zinc/39/71/61/838397161.db2.gz XINCUPXCNPVHDD-SJORKVTESA-N 2 1 323.481 1.311 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001267606497 838431682 /nfs/dbraw/zinc/43/16/82/838431682.db2.gz VPSVVEWNANJGHN-JYJNAYRXSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001267606497 838431685 /nfs/dbraw/zinc/43/16/85/838431685.db2.gz VPSVVEWNANJGHN-JYJNAYRXSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001267618246 838501824 /nfs/dbraw/zinc/50/18/24/838501824.db2.gz OFKZJNSKTXQYKD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267618246 838501826 /nfs/dbraw/zinc/50/18/26/838501826.db2.gz OFKZJNSKTXQYKD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001267618246 838501833 /nfs/dbraw/zinc/50/18/33/838501833.db2.gz OFKZJNSKTXQYKD-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267653440 838585384 /nfs/dbraw/zinc/58/53/84/838585384.db2.gz RWQRNHNBEHKHGL-HNNXBMFYSA-N 2 1 319.453 1.025 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267779533 838958987 /nfs/dbraw/zinc/95/89/87/838958987.db2.gz RWTGTOXLJRAAMH-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001267931762 839214616 /nfs/dbraw/zinc/21/46/16/839214616.db2.gz CSUDENKLWKJEFQ-ULQDDVLXSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001267989046 839335088 /nfs/dbraw/zinc/33/50/88/839335088.db2.gz DYHTUFIMJIZADN-RDJZCZTQSA-N 2 1 314.433 1.021 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cccnc1 ZINC001267989046 839335102 /nfs/dbraw/zinc/33/51/02/839335102.db2.gz DYHTUFIMJIZADN-RDJZCZTQSA-N 2 1 314.433 1.021 20 30 DDEDMP C=C(C)C[NH2+]CCN(CC)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001268452225 840217773 /nfs/dbraw/zinc/21/77/73/840217773.db2.gz ZPXFUSPBOGVKLG-INIZCTEOSA-N 2 1 319.453 1.804 20 30 DDEDMP C=C(C)C[NH2+]CCN(CC)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001268452225 840217785 /nfs/dbraw/zinc/21/77/85/840217785.db2.gz ZPXFUSPBOGVKLG-INIZCTEOSA-N 2 1 319.453 1.804 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001269297454 841484111 /nfs/dbraw/zinc/48/41/11/841484111.db2.gz YTSBEZCERZABSU-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001326222948 861208648 /nfs/dbraw/zinc/20/86/48/861208648.db2.gz MWKRAKCSNOOGJW-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001326222948 861208667 /nfs/dbraw/zinc/20/86/67/861208667.db2.gz MWKRAKCSNOOGJW-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cncs1 ZINC001270427327 842568841 /nfs/dbraw/zinc/56/88/41/842568841.db2.gz MIOYEOYUSQWQKI-HIFRSBDPSA-N 2 1 320.462 1.083 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cncs1 ZINC001270427327 842568850 /nfs/dbraw/zinc/56/88/50/842568850.db2.gz MIOYEOYUSQWQKI-HIFRSBDPSA-N 2 1 320.462 1.083 20 30 DDEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001270965759 843091893 /nfs/dbraw/zinc/09/18/93/843091893.db2.gz OIHQQJVPYDQGFR-NVXWUHKLSA-N 2 1 311.445 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001271099170 843212312 /nfs/dbraw/zinc/21/23/12/843212312.db2.gz BDMSWQAEDXYULL-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001271099170 843212319 /nfs/dbraw/zinc/21/23/19/843212319.db2.gz BDMSWQAEDXYULL-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001271544349 843688766 /nfs/dbraw/zinc/68/87/66/843688766.db2.gz PWCVURSPFSQQSQ-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(=C)C)CCC1 ZINC001326834341 861644378 /nfs/dbraw/zinc/64/43/78/861644378.db2.gz JMSXFJZBOIGRRU-INIZCTEOSA-N 2 1 303.450 1.679 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(=C)C)CCC1 ZINC001326834341 861644379 /nfs/dbraw/zinc/64/43/79/861644379.db2.gz JMSXFJZBOIGRRU-INIZCTEOSA-N 2 1 303.450 1.679 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC[NH+]1CCCCC1 ZINC001272716919 846706041 /nfs/dbraw/zinc/70/60/41/846706041.db2.gz MNGMNSKUGBLCCO-LJQANCHMSA-N 2 1 317.477 1.953 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC[NH+]1CCCCC1 ZINC001272716919 846706055 /nfs/dbraw/zinc/70/60/55/846706055.db2.gz MNGMNSKUGBLCCO-LJQANCHMSA-N 2 1 317.477 1.953 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC2CC[NH+](C)CC2)C1=O ZINC001272887223 847594748 /nfs/dbraw/zinc/59/47/48/847594748.db2.gz AAMUJKRNLYBICV-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001034207300 848113520 /nfs/dbraw/zinc/11/35/20/848113520.db2.gz PSSAJHWYKFYUQN-INIZCTEOSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CCN1CCCC[C@H](NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001034207300 848113523 /nfs/dbraw/zinc/11/35/23/848113523.db2.gz PSSAJHWYKFYUQN-INIZCTEOSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034240095 848169311 /nfs/dbraw/zinc/16/93/11/848169311.db2.gz OQOQCKBTSPJPFG-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034240095 848169317 /nfs/dbraw/zinc/16/93/17/848169317.db2.gz OQOQCKBTSPJPFG-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034240095 848169319 /nfs/dbraw/zinc/16/93/19/848169319.db2.gz OQOQCKBTSPJPFG-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149847208 861940650 /nfs/dbraw/zinc/94/06/50/861940650.db2.gz CJOMENZNUSKNQY-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149847208 861940658 /nfs/dbraw/zinc/94/06/58/861940658.db2.gz CJOMENZNUSKNQY-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149847208 861940664 /nfs/dbraw/zinc/94/06/64/861940664.db2.gz CJOMENZNUSKNQY-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149888984 861963202 /nfs/dbraw/zinc/96/32/02/861963202.db2.gz MWWJTHUZYRPOAZ-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP N#Cc1ccc2ncnc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)c2c1 ZINC001155372430 862004931 /nfs/dbraw/zinc/00/49/31/862004931.db2.gz HGLFZUSKILUMJA-OAHLLOKOSA-N 2 1 322.416 1.361 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241742 862151721 /nfs/dbraw/zinc/15/17/21/862151721.db2.gz REHSYUFLFIDRGN-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001273840212 851406509 /nfs/dbraw/zinc/40/65/09/851406509.db2.gz IVMDEKANBZGTCK-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155611543 862288121 /nfs/dbraw/zinc/28/81/21/862288121.db2.gz IGQSBFKPTDWMMJ-OAHLLOKOSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC001155611543 862288134 /nfs/dbraw/zinc/28/81/34/862288134.db2.gz IGQSBFKPTDWMMJ-OAHLLOKOSA-N 2 1 304.438 1.856 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001274929886 852695967 /nfs/dbraw/zinc/69/59/67/852695967.db2.gz LVIYCQYUUYFZAE-INIZCTEOSA-N 2 1 323.481 1.238 20 30 DDEDMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)CCC ZINC001275080740 852790408 /nfs/dbraw/zinc/79/04/08/852790408.db2.gz LAFDBEIKBMSMBG-IEBWSBKVSA-N 2 1 313.445 1.723 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001328155487 862734681 /nfs/dbraw/zinc/73/46/81/862734681.db2.gz HSDUFQMBGRERRM-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734810 857652471 /nfs/dbraw/zinc/65/24/71/857652471.db2.gz QOXYRAKSVDFQJL-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734810 857652476 /nfs/dbraw/zinc/65/24/76/857652476.db2.gz QOXYRAKSVDFQJL-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734810 857652480 /nfs/dbraw/zinc/65/24/80/857652480.db2.gz QOXYRAKSVDFQJL-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001072823960 857759945 /nfs/dbraw/zinc/75/99/45/857759945.db2.gz WGWVCVWPYWEFTF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001072823960 857759950 /nfs/dbraw/zinc/75/99/50/857759950.db2.gz WGWVCVWPYWEFTF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)C)C2 ZINC001072823960 857759956 /nfs/dbraw/zinc/75/99/56/857759956.db2.gz WGWVCVWPYWEFTF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC(C)C)C2 ZINC001072823960 857759961 /nfs/dbraw/zinc/75/99/61/857759961.db2.gz WGWVCVWPYWEFTF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850084 857797585 /nfs/dbraw/zinc/79/75/85/857797585.db2.gz QIMYBSHLBJUIQN-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001072850084 857797593 /nfs/dbraw/zinc/79/75/93/857797593.db2.gz QIMYBSHLBJUIQN-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850084 857797602 /nfs/dbraw/zinc/79/76/02/857797602.db2.gz QIMYBSHLBJUIQN-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001072850084 857797607 /nfs/dbraw/zinc/79/76/07/857797607.db2.gz QIMYBSHLBJUIQN-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC001072870353 857824725 /nfs/dbraw/zinc/82/47/25/857824725.db2.gz GGIOFSVCYYLORP-HNNXBMFYSA-N 2 1 312.417 1.003 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072885977 857842243 /nfs/dbraw/zinc/84/22/43/857842243.db2.gz BGDZFZRUWOWQAA-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072885977 857842251 /nfs/dbraw/zinc/84/22/51/857842251.db2.gz BGDZFZRUWOWQAA-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072885977 857842255 /nfs/dbraw/zinc/84/22/55/857842255.db2.gz BGDZFZRUWOWQAA-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433795 858332197 /nfs/dbraw/zinc/33/21/97/858332197.db2.gz NVRWFOGFMIKOLT-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073462112 858356378 /nfs/dbraw/zinc/35/63/78/858356378.db2.gz MFCUFQZFRVBXJU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073462112 858356388 /nfs/dbraw/zinc/35/63/88/858356388.db2.gz MFCUFQZFRVBXJU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001073462112 858356392 /nfs/dbraw/zinc/35/63/92/858356392.db2.gz MFCUFQZFRVBXJU-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#C[C@@H]1CCC[N@H+](Cc2cnc(N3CCN(C)CC3)s2)C1 ZINC001139323806 860364083 /nfs/dbraw/zinc/36/40/83/860364083.db2.gz SSUHZHKYLYDVLE-CQSZACIVSA-N 2 1 304.463 1.740 20 30 DDEDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114868 860576553 /nfs/dbraw/zinc/57/65/53/860576553.db2.gz DKGVWZIFRZKSOW-UHFFFAOYSA-N 2 1 311.433 1.719 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203038172 860637246 /nfs/dbraw/zinc/63/72/46/860637246.db2.gz XHEQZNRAJJHRER-CVEARBPZSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001325954432 860986969 /nfs/dbraw/zinc/98/69/69/860986969.db2.gz BXSCQEQQRCTTDJ-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001157091841 863567903 /nfs/dbraw/zinc/56/79/03/863567903.db2.gz FCVQHRDKPBEUAP-MRXNPFEDSA-N 2 1 303.450 1.182 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC001330891048 864681944 /nfs/dbraw/zinc/68/19/44/864681944.db2.gz FCKFBOOBHGNFRR-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC001330891048 864681949 /nfs/dbraw/zinc/68/19/49/864681949.db2.gz FCKFBOOBHGNFRR-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC001330891048 864681956 /nfs/dbraw/zinc/68/19/56/864681956.db2.gz FCKFBOOBHGNFRR-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC001330891048 864681960 /nfs/dbraw/zinc/68/19/60/864681960.db2.gz FCKFBOOBHGNFRR-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331712475 865266541 /nfs/dbraw/zinc/26/65/41/865266541.db2.gz PMCMIPHQWVMMRW-HZPDHXFCSA-N 2 1 323.481 1.284 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001332000207 865493446 /nfs/dbraw/zinc/49/34/46/865493446.db2.gz YMXBZIMNTSGJKZ-LSDHHAIUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCN3CCOCC3)CCC[C@@H]12 ZINC001332109723 865583938 /nfs/dbraw/zinc/58/39/38/865583938.db2.gz HCNZJLANVMMEQG-AEFFLSMTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001332109723 865583941 /nfs/dbraw/zinc/58/39/41/865583941.db2.gz HCNZJLANVMMEQG-AEFFLSMTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001332109723 865583948 /nfs/dbraw/zinc/58/39/48/865583948.db2.gz HCNZJLANVMMEQG-AEFFLSMTSA-N 2 1 321.465 1.398 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160156660 865704397 /nfs/dbraw/zinc/70/43/97/865704397.db2.gz WDCYPQJHAVUFKQ-SFHVURJKSA-N 2 1 315.461 1.490 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1ccc(N2CC[NH+](C)CC2)nn1 ZINC001160953236 866213574 /nfs/dbraw/zinc/21/35/74/866213574.db2.gz YGBACPCNKGVYFR-HNNXBMFYSA-N 2 1 316.453 1.291 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNc1ccc(OC2CC[NH2+]CC2)nn1 ZINC001160957047 866218775 /nfs/dbraw/zinc/21/87/75/866218775.db2.gz CMFWJYUOVKXQJT-AWEZNQCLSA-N 2 1 317.437 1.670 20 30 DDEDMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001323066762 866310240 /nfs/dbraw/zinc/31/02/40/866310240.db2.gz OQNFCFLIFZCQTQ-ZBFHGGJFSA-N 2 1 302.422 1.424 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465297 866687509 /nfs/dbraw/zinc/68/75/09/866687509.db2.gz HJTVLRHNXUKBSQ-UHFFFAOYSA-N 2 1 314.433 1.743 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001161465297 866687515 /nfs/dbraw/zinc/68/75/15/866687515.db2.gz HJTVLRHNXUKBSQ-UHFFFAOYSA-N 2 1 314.433 1.743 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+]([C@@H](C)COC)CC1 ZINC001324378190 867241939 /nfs/dbraw/zinc/24/19/39/867241939.db2.gz VKYMEUBHXXODRQ-RDJZCZTQSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001277080380 882084253 /nfs/dbraw/zinc/08/42/53/882084253.db2.gz QBVPSNOPUZCIDW-LBPRGKRZSA-N 2 1 317.355 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(F)(F)F)CC1 ZINC001277080380 882084273 /nfs/dbraw/zinc/08/42/73/882084273.db2.gz QBVPSNOPUZCIDW-LBPRGKRZSA-N 2 1 317.355 1.275 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccnc1C ZINC001321543339 867656925 /nfs/dbraw/zinc/65/69/25/867656925.db2.gz LTAOYFHXFLITDB-PBHICJAKSA-N 2 1 314.433 1.082 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccnc1C ZINC001321543339 867656930 /nfs/dbraw/zinc/65/69/30/867656930.db2.gz LTAOYFHXFLITDB-PBHICJAKSA-N 2 1 314.433 1.082 20 30 DDEDMP C=CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001162996932 867980506 /nfs/dbraw/zinc/98/05/06/867980506.db2.gz HFSLDVCUPLOHFH-GOSISDBHSA-N 2 1 315.461 1.785 20 30 DDEDMP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001325450828 868042309 /nfs/dbraw/zinc/04/23/09/868042309.db2.gz SCUZOOBGTUHTNW-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP CN1CCC(=[NH+]NCCC[NH+]2CCOCC2)c2ccccc21 ZINC001322407055 868154776 /nfs/dbraw/zinc/15/47/76/868154776.db2.gz DWYDFQVFOBIZSL-UHFFFAOYSA-N 2 1 302.422 1.543 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001325656002 868220246 /nfs/dbraw/zinc/22/02/46/868220246.db2.gz JKAHFCBYYNDSFT-BRSBDYLESA-N 2 1 319.493 1.862 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC001336779433 869135759 /nfs/dbraw/zinc/13/57/59/869135759.db2.gz KKGGUDKYHUVSRC-INIZCTEOSA-N 2 1 320.408 1.643 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485562 869616154 /nfs/dbraw/zinc/61/61/54/869616154.db2.gz YZTKOHHNKZNSDB-AWEZNQCLSA-N 2 1 300.406 1.270 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001165727887 869692238 /nfs/dbraw/zinc/69/22/38/869692238.db2.gz JXFKAFLISKFNJZ-HOTGVXAUSA-N 2 1 303.450 1.513 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001317193506 870447395 /nfs/dbraw/zinc/44/73/95/870447395.db2.gz FVLFLOVAPWBLTJ-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317337286 870667041 /nfs/dbraw/zinc/66/70/41/870667041.db2.gz KSFPKYCHNFCJIF-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001318215781 871839452 /nfs/dbraw/zinc/83/94/52/871839452.db2.gz ITFIARISYDSYOV-JYJNAYRXSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001316764575 871844073 /nfs/dbraw/zinc/84/40/73/871844073.db2.gz DJQXYJRYQIQPDW-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001316750298 871992732 /nfs/dbraw/zinc/99/27/32/871992732.db2.gz UQAHXLLZKJVRLQ-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001316750298 871992738 /nfs/dbraw/zinc/99/27/38/871992738.db2.gz UQAHXLLZKJVRLQ-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001316750298 871992752 /nfs/dbraw/zinc/99/27/52/871992752.db2.gz UQAHXLLZKJVRLQ-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316880282 872194727 /nfs/dbraw/zinc/19/47/27/872194727.db2.gz LOZKKLGVCFZMQP-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319608937 872715770 /nfs/dbraw/zinc/71/57/70/872715770.db2.gz LFCMGHHLCHWLEK-IXDOHACOSA-N 2 1 323.481 1.097 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC001276593985 874487917 /nfs/dbraw/zinc/48/79/17/874487917.db2.gz SENYBHGCHUMNBY-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001276593985 874487934 /nfs/dbraw/zinc/48/79/34/874487934.db2.gz SENYBHGCHUMNBY-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593985 874487944 /nfs/dbraw/zinc/48/79/44/874487944.db2.gz SENYBHGCHUMNBY-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593985 874487954 /nfs/dbraw/zinc/48/79/54/874487954.db2.gz SENYBHGCHUMNBY-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210145454 875246851 /nfs/dbraw/zinc/24/68/51/875246851.db2.gz HEHVTQQHOWWNMY-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001276711581 876343842 /nfs/dbraw/zinc/34/38/42/876343842.db2.gz KSURZECPYMBDMX-IAGOWNOFSA-N 2 1 301.434 1.960 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624622 877619069 /nfs/dbraw/zinc/61/90/69/877619069.db2.gz UZPWNGBDNLLLIY-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001379696802 877765639 /nfs/dbraw/zinc/76/56/39/877765639.db2.gz QXTYUZMQHVBEPH-ZIAGYGMSSA-N 2 1 310.829 1.819 20 30 DDEDMP C#CCCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219634387 878406315 /nfs/dbraw/zinc/40/63/15/878406315.db2.gz WFTANQDQCOVLBS-QGZVFWFLSA-N 2 1 311.429 1.238 20 30 DDEDMP C#CCCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001219634387 878406324 /nfs/dbraw/zinc/40/63/24/878406324.db2.gz WFTANQDQCOVLBS-QGZVFWFLSA-N 2 1 311.429 1.238 20 30 DDEDMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001219980540 878629856 /nfs/dbraw/zinc/62/98/56/878629856.db2.gz KSYIRVUQOCRHJP-YOEHRIQHSA-N 2 1 314.433 1.276 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220377726 878962173 /nfs/dbraw/zinc/96/21/73/878962173.db2.gz LLKJGUPUJSMLOG-PMPSAXMXSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CN2CCC(C)CC2)[C@@H](O)C1 ZINC001220600001 879130574 /nfs/dbraw/zinc/13/05/74/879130574.db2.gz WUIYAXXXRUIPMF-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220600001 879130582 /nfs/dbraw/zinc/13/05/82/879130582.db2.gz WUIYAXXXRUIPMF-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001220600001 879130589 /nfs/dbraw/zinc/13/05/89/879130589.db2.gz WUIYAXXXRUIPMF-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221154288 879537568 /nfs/dbraw/zinc/53/75/68/879537568.db2.gz KGNIYNFTTVBFQJ-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221646782 879987094 /nfs/dbraw/zinc/98/70/94/879987094.db2.gz LFLUJYFHKUOTTD-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221646782 879987099 /nfs/dbraw/zinc/98/70/99/879987099.db2.gz LFLUJYFHKUOTTD-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221646782 879987113 /nfs/dbraw/zinc/98/71/13/879987113.db2.gz LFLUJYFHKUOTTD-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823017 880107998 /nfs/dbraw/zinc/10/79/98/880107998.db2.gz BSPUAHDOXQBBFL-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001222682056 880649424 /nfs/dbraw/zinc/64/94/24/880649424.db2.gz ANGVTPAKYDDDMP-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682056 880649433 /nfs/dbraw/zinc/64/94/33/880649433.db2.gz ANGVTPAKYDDDMP-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223489536 880981119 /nfs/dbraw/zinc/98/11/19/880981119.db2.gz RCOCFEGYSWGEGN-IKGGRYGDSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230849862 884961255 /nfs/dbraw/zinc/96/12/55/884961255.db2.gz ZNTDNDCXJQGWMV-KRWDZBQOSA-N 2 1 318.465 1.916 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001234215723 887755473 /nfs/dbraw/zinc/75/54/73/887755473.db2.gz OZGYTQMXPQTOAJ-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001234215723 887755488 /nfs/dbraw/zinc/75/54/88/887755488.db2.gz OZGYTQMXPQTOAJ-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234215723 887755501 /nfs/dbraw/zinc/75/55/01/887755501.db2.gz OZGYTQMXPQTOAJ-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001234215723 887755507 /nfs/dbraw/zinc/75/55/07/887755507.db2.gz OZGYTQMXPQTOAJ-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235322721 888552554 /nfs/dbraw/zinc/55/25/54/888552554.db2.gz YNBZNOKHRVHGMV-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001235322721 888552560 /nfs/dbraw/zinc/55/25/60/888552560.db2.gz YNBZNOKHRVHGMV-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001278425579 892325268 /nfs/dbraw/zinc/32/52/68/892325268.db2.gz BFFMJQNUPXGVQG-AEFFLSMTSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001278425579 892325284 /nfs/dbraw/zinc/32/52/84/892325284.db2.gz BFFMJQNUPXGVQG-AEFFLSMTSA-N 2 1 305.466 1.855 20 30 DDEDMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001366505605 893771695 /nfs/dbraw/zinc/77/16/95/893771695.db2.gz GGPBTOZTBUGXRL-YOEHRIQHSA-N 2 1 314.433 1.494 20 30 DDEDMP N#Cc1cc(F)cc(-c2noc([C@H]([NH3+])C3CC[NH2+]CC3)n2)c1 ZINC001249328444 893936100 /nfs/dbraw/zinc/93/61/00/893936100.db2.gz SKBWXYRTRCKVOO-CYBMUJFWSA-N 2 1 301.325 1.747 20 30 DDEDMP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001366562402 894047439 /nfs/dbraw/zinc/04/74/39/894047439.db2.gz ZRMRKXKBFRIBSP-CQSZACIVSA-N 2 1 306.435 1.262 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccc(C#N)s1 ZINC001366562402 894047457 /nfs/dbraw/zinc/04/74/57/894047457.db2.gz ZRMRKXKBFRIBSP-CQSZACIVSA-N 2 1 306.435 1.262 20 30 DDEDMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)s1 ZINC001366562402 894047468 /nfs/dbraw/zinc/04/74/68/894047468.db2.gz ZRMRKXKBFRIBSP-CQSZACIVSA-N 2 1 306.435 1.262 20 30 DDEDMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC001366562402 894047484 /nfs/dbraw/zinc/04/74/84/894047484.db2.gz ZRMRKXKBFRIBSP-CQSZACIVSA-N 2 1 306.435 1.262 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001253576515 895904166 /nfs/dbraw/zinc/90/41/66/895904166.db2.gz FOWKLWSDAQNVNG-HZPDHXFCSA-N 2 1 320.433 1.882 20 30 DDEDMP C=CC[N@H+]1CC[C@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278782198 896424963 /nfs/dbraw/zinc/42/49/63/896424963.db2.gz SPXQCYWFOARFCG-YOEHRIQHSA-N 2 1 320.437 1.136 20 30 DDEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278782198 896424970 /nfs/dbraw/zinc/42/49/70/896424970.db2.gz SPXQCYWFOARFCG-YOEHRIQHSA-N 2 1 320.437 1.136 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367692580 897481459 /nfs/dbraw/zinc/48/14/59/897481459.db2.gz PDNFVJJEFSWMBQ-PBHICJAKSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC001256630343 897513930 /nfs/dbraw/zinc/51/39/30/897513930.db2.gz TZSACYDULXGIEC-JZWPEALZSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC001256630343 897513941 /nfs/dbraw/zinc/51/39/41/897513941.db2.gz TZSACYDULXGIEC-JZWPEALZSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256630343 897513946 /nfs/dbraw/zinc/51/39/46/897513946.db2.gz TZSACYDULXGIEC-JZWPEALZSA-N 2 1 307.438 1.988 20 30 DDEDMP C=CCOC(=O)N[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC001256630343 897513957 /nfs/dbraw/zinc/51/39/57/897513957.db2.gz TZSACYDULXGIEC-JZWPEALZSA-N 2 1 307.438 1.988 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC001262041312 899910942 /nfs/dbraw/zinc/91/09/42/899910942.db2.gz UHWLGCLYZYNDIB-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](CC)C2)C1 ZINC001262041312 899910949 /nfs/dbraw/zinc/91/09/49/899910949.db2.gz UHWLGCLYZYNDIB-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](CC)C2)C1 ZINC001262041312 899910956 /nfs/dbraw/zinc/91/09/56/899910956.db2.gz UHWLGCLYZYNDIB-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](CC)C2)C1 ZINC001262041312 899910966 /nfs/dbraw/zinc/91/09/66/899910966.db2.gz UHWLGCLYZYNDIB-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC ZINC001264062481 900900585 /nfs/dbraw/zinc/90/05/85/900900585.db2.gz HLEOKCAJJFIDOA-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC ZINC001264062481 900900594 /nfs/dbraw/zinc/90/05/94/900900594.db2.gz HLEOKCAJJFIDOA-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC ZINC001264062481 900900607 /nfs/dbraw/zinc/90/06/07/900900607.db2.gz HLEOKCAJJFIDOA-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264678011 901277378 /nfs/dbraw/zinc/27/73/78/901277378.db2.gz NPJAYRAXEUAMPJ-SJORKVTESA-N 2 1 323.456 1.804 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264678011 901277391 /nfs/dbraw/zinc/27/73/91/901277391.db2.gz NPJAYRAXEUAMPJ-SJORKVTESA-N 2 1 323.456 1.804 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001265390269 901956193 /nfs/dbraw/zinc/95/61/93/901956193.db2.gz AUZYXGXPHLZGIS-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001265390269 901956203 /nfs/dbraw/zinc/95/62/03/901956203.db2.gz AUZYXGXPHLZGIS-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC(C)C)C1 ZINC001265390269 901956213 /nfs/dbraw/zinc/95/62/13/901956213.db2.gz AUZYXGXPHLZGIS-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC(C)C)C1 ZINC001265390269 901956226 /nfs/dbraw/zinc/95/62/26/901956226.db2.gz AUZYXGXPHLZGIS-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001391715488 902428438 /nfs/dbraw/zinc/42/84/38/902428438.db2.gz DOUCCOPQKOLTTN-KGLIPLIRSA-N 2 1 324.856 1.991 20 30 DDEDMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001281529853 904979777 /nfs/dbraw/zinc/97/97/77/904979777.db2.gz BICJOIOSQUTVNU-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001281529853 904979786 /nfs/dbraw/zinc/97/97/86/904979786.db2.gz BICJOIOSQUTVNU-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC(C)C ZINC001281942225 905336799 /nfs/dbraw/zinc/33/67/99/905336799.db2.gz ORUMTMYFMWKXBW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC(C)C ZINC001281942225 905336813 /nfs/dbraw/zinc/33/68/13/905336813.db2.gz ORUMTMYFMWKXBW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC(C)C ZINC001281942225 905336834 /nfs/dbraw/zinc/33/68/34/905336834.db2.gz ORUMTMYFMWKXBW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC(C)C ZINC001281942225 905336848 /nfs/dbraw/zinc/33/68/48/905336848.db2.gz ORUMTMYFMWKXBW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001282660957 905926221 /nfs/dbraw/zinc/92/62/21/905926221.db2.gz FUOFXIFETOKWBR-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282660957 905926226 /nfs/dbraw/zinc/92/62/26/905926226.db2.gz FUOFXIFETOKWBR-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001282660957 905926234 /nfs/dbraw/zinc/92/62/34/905926234.db2.gz FUOFXIFETOKWBR-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001282780664 906032140 /nfs/dbraw/zinc/03/21/40/906032140.db2.gz CXYNKYPIPPYCRU-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001282780664 906032159 /nfs/dbraw/zinc/03/21/59/906032159.db2.gz CXYNKYPIPPYCRU-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001282780664 906032174 /nfs/dbraw/zinc/03/21/74/906032174.db2.gz CXYNKYPIPPYCRU-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001283230845 906948513 /nfs/dbraw/zinc/94/85/13/906948513.db2.gz WFYZSVJPVDHWQH-ZBFHGGJFSA-N 2 1 316.449 1.652 20 30 DDEDMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2)[NH+](C)C ZINC001284067104 908419635 /nfs/dbraw/zinc/41/96/35/908419635.db2.gz KGVHXWLYIAGESC-JZXOWHBKSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001284291372 908780239 /nfs/dbraw/zinc/78/02/39/908780239.db2.gz CUWIMUYGCGVGIW-MRXNPFEDSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(F)c1 ZINC001285004372 909926025 /nfs/dbraw/zinc/92/60/25/909926025.db2.gz JNPUKLKIAULRRF-CZUORRHYSA-N 2 1 317.408 1.505 20 30 DDEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c(F)c1 ZINC001285014192 909939094 /nfs/dbraw/zinc/93/90/94/909939094.db2.gz AEVUESJWTYBZCE-OAHLLOKOSA-N 2 1 305.397 1.669 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001316638696 910392279 /nfs/dbraw/zinc/39/22/79/910392279.db2.gz ZCWZDSCKJRNZBG-QBPKDAKJSA-N 2 1 303.450 1.511 20 30 DDEDMP COC[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1COC ZINC000452038191 231277292 /nfs/dbraw/zinc/27/72/92/231277292.db2.gz LXSKEEBOUSQQRV-ROUUACIJSA-N 2 1 308.466 1.992 20 30 DDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000329450493 539304672 /nfs/dbraw/zinc/30/46/72/539304672.db2.gz LUIJKQNXFRFCBE-GDBMZVCRSA-N 2 1 324.469 1.084 20 30 DDEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000329450493 539304674 /nfs/dbraw/zinc/30/46/74/539304674.db2.gz LUIJKQNXFRFCBE-GDBMZVCRSA-N 2 1 324.469 1.084 20 30 DDEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000329450493 539304676 /nfs/dbraw/zinc/30/46/76/539304676.db2.gz LUIJKQNXFRFCBE-GDBMZVCRSA-N 2 1 324.469 1.084 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)C[C@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000341912137 529823373 /nfs/dbraw/zinc/82/33/73/529823373.db2.gz VQLARQDPQBZZPB-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@@H]1O ZINC000341912137 529823374 /nfs/dbraw/zinc/82/33/74/529823374.db2.gz VQLARQDPQBZZPB-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@H]1CCC[C@@H]1O ZINC000341912137 529823375 /nfs/dbraw/zinc/82/33/75/529823375.db2.gz VQLARQDPQBZZPB-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000181686892 199338320 /nfs/dbraw/zinc/33/83/20/199338320.db2.gz GSCOUYUDAJEBTO-CQSZACIVSA-N 2 1 300.406 1.373 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000066922059 353025169 /nfs/dbraw/zinc/02/51/69/353025169.db2.gz DOQJDBYQFRBYEL-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000068084322 353087035 /nfs/dbraw/zinc/08/70/35/353087035.db2.gz DJKBTHTUQQHTAQ-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)[N@@H+](C)C1CC1 ZINC000083052353 353704931 /nfs/dbraw/zinc/70/49/31/353704931.db2.gz WBLVYVYPOLWDKE-DOMZBBRYSA-N 2 1 302.422 1.897 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C#N)n2)CC1 ZINC000589614839 355005013 /nfs/dbraw/zinc/00/50/13/355005013.db2.gz MQVKCCBUUFWBJG-UHFFFAOYSA-N 2 1 322.372 1.352 20 30 DDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)CC1 ZINC000595315186 356446852 /nfs/dbraw/zinc/44/68/52/356446852.db2.gz XZGCTUTVYWAYSU-LJQANCHMSA-N 2 1 312.461 1.813 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(C#N)n1 ZINC000602654438 359102319 /nfs/dbraw/zinc/10/23/19/359102319.db2.gz BOQZSPBGSAPDPZ-GOSISDBHSA-N 2 1 315.465 1.801 20 30 DDEDMP Cc1ccc(Cn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)cc1C#N ZINC000603223657 359495392 /nfs/dbraw/zinc/49/53/92/359495392.db2.gz LZEHHTHIEIQNIM-UHFFFAOYSA-N 2 1 324.432 1.472 20 30 DDEDMP C[C@@H](c1ccc(C#N)cc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603226274 359497464 /nfs/dbraw/zinc/49/74/64/359497464.db2.gz DLWVNYXWWMCWCF-AWEZNQCLSA-N 2 1 324.432 1.725 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@](C)(O)c1cccs1 ZINC000261758200 407604307 /nfs/dbraw/zinc/60/43/07/407604307.db2.gz OATCQFLRPUNZBZ-WFASDCNBSA-N 2 1 310.467 1.072 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N(C)C ZINC000264060912 408357027 /nfs/dbraw/zinc/35/70/27/408357027.db2.gz CUQVOXJGIUNJIL-ZIAGYGMSSA-N 2 1 323.510 1.739 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000264101787 408367308 /nfs/dbraw/zinc/36/73/08/408367308.db2.gz OGYUQRFXPVCFNB-KGLIPLIRSA-N 2 1 304.438 1.372 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000264101787 408367312 /nfs/dbraw/zinc/36/73/12/408367312.db2.gz OGYUQRFXPVCFNB-KGLIPLIRSA-N 2 1 304.438 1.372 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247936493 408517566 /nfs/dbraw/zinc/51/75/66/408517566.db2.gz CNHQJIILXJIPQJ-ULQDDVLXSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247936493 408517568 /nfs/dbraw/zinc/51/75/68/408517568.db2.gz CNHQJIILXJIPQJ-ULQDDVLXSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247936493 408517574 /nfs/dbraw/zinc/51/75/74/408517574.db2.gz CNHQJIILXJIPQJ-ULQDDVLXSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247936493 408517578 /nfs/dbraw/zinc/51/75/78/408517578.db2.gz CNHQJIILXJIPQJ-ULQDDVLXSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247936493 408517582 /nfs/dbraw/zinc/51/75/82/408517582.db2.gz CNHQJIILXJIPQJ-ULQDDVLXSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000177785232 408711683 /nfs/dbraw/zinc/71/16/83/408711683.db2.gz ONSDIQFTPPIRMB-DZGCQCFKSA-N 2 1 306.454 1.561 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(CCC#N)CCC#N)C[C@H]1C ZINC000354227156 409736236 /nfs/dbraw/zinc/73/62/36/409736236.db2.gz ZLEGWPXUIXSGKS-CVEARBPZSA-N 2 1 319.453 1.447 20 30 DDEDMP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000330215098 410588714 /nfs/dbraw/zinc/58/87/14/410588714.db2.gz MDRRYTWGPRHPNF-CJNGLKHVSA-N 2 1 303.410 1.140 20 30 DDEDMP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000330215098 410588720 /nfs/dbraw/zinc/58/87/20/410588720.db2.gz MDRRYTWGPRHPNF-CJNGLKHVSA-N 2 1 303.410 1.140 20 30 DDEDMP C#CC[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000192234154 222123591 /nfs/dbraw/zinc/12/35/91/222123591.db2.gz AKPMOMXOIOWCAM-MRXNPFEDSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000192234154 222123595 /nfs/dbraw/zinc/12/35/95/222123595.db2.gz AKPMOMXOIOWCAM-MRXNPFEDSA-N 2 1 313.445 1.721 20 30 DDEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@H](C(C)C)C2)C1 ZINC000261685164 222254583 /nfs/dbraw/zinc/25/45/83/222254583.db2.gz DNOLLAMBFSTFCD-CABCVRRESA-N 2 1 312.527 1.977 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCC(OCC2CC2)CC1 ZINC000261863281 222260362 /nfs/dbraw/zinc/26/03/62/222260362.db2.gz ZPNMYGIXQGXRPX-OAHLLOKOSA-N 2 1 308.470 1.405 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261851691 222260528 /nfs/dbraw/zinc/26/05/28/222260528.db2.gz XJWNHEDBSTXDPN-CABCVRRESA-N 2 1 308.470 1.262 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccccc1F ZINC000264143521 222325066 /nfs/dbraw/zinc/32/50/66/222325066.db2.gz XDOFHULNHPVNRZ-ZDUSSCGKSA-N 2 1 308.401 1.593 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc2O1 ZINC000262002061 222269156 /nfs/dbraw/zinc/26/91/56/222269156.db2.gz QAFPQQJJDJKCLK-GJZGRUSLSA-N 2 1 302.422 1.379 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COC2(CCCC2)O1 ZINC000262447507 222281379 /nfs/dbraw/zinc/28/13/79/222281379.db2.gz VLQOIGYSCYVALN-KBPBESRZSA-N 2 1 310.442 1.061 20 30 DDEDMP COc1cccc(NC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000262457781 222282006 /nfs/dbraw/zinc/28/20/06/222282006.db2.gz LPQSDPBPMNBRFU-OAHLLOKOSA-N 2 1 308.451 1.859 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(Cl)cc1 ZINC000264065730 222313049 /nfs/dbraw/zinc/31/30/49/222313049.db2.gz BDMLZLWEFVXPQT-LSDHHAIUSA-N 2 1 324.856 1.762 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccc(Cl)cc1 ZINC000264065723 222313231 /nfs/dbraw/zinc/31/32/31/222313231.db2.gz BDMLZLWEFVXPQT-GJZGRUSLSA-N 2 1 324.856 1.762 20 30 DDEDMP Cc1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000264081440 222314101 /nfs/dbraw/zinc/31/41/01/222314101.db2.gz HLPRWJGOEPBTKO-AWEZNQCLSA-N 2 1 317.481 1.914 20 30 DDEDMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000267439647 222385490 /nfs/dbraw/zinc/38/54/90/222385490.db2.gz OQZKJWWCNDMDOD-MRXNPFEDSA-N 2 1 303.454 1.782 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000424125470 228231086 /nfs/dbraw/zinc/23/10/86/228231086.db2.gz AAVIRTAZVRCTOL-INIZCTEOSA-N 2 1 300.406 1.182 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000424125470 228231089 /nfs/dbraw/zinc/23/10/89/228231089.db2.gz AAVIRTAZVRCTOL-INIZCTEOSA-N 2 1 300.406 1.182 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000519161812 421684214 /nfs/dbraw/zinc/68/42/14/421684214.db2.gz OQUQCEOHHKMVGT-INIZCTEOSA-N 2 1 300.406 1.378 20 30 DDEDMP OC[C@H]1CCCCC[N@H+]1CC#CC[NH+]1CCCCC[C@H]1CO ZINC000653784254 423607575 /nfs/dbraw/zinc/60/75/75/423607575.db2.gz KXDZCRYUWMPUGN-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP OC[C@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@H]1CO ZINC000653784254 423607578 /nfs/dbraw/zinc/60/75/78/423607578.db2.gz KXDZCRYUWMPUGN-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP OC[C@H]1CCCCC[NH+]1CC#CC[N@H+]1CCCCC[C@H]1CO ZINC000653784254 423607582 /nfs/dbraw/zinc/60/75/82/423607582.db2.gz KXDZCRYUWMPUGN-HDICACEKSA-N 2 1 308.466 1.464 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000344275633 268072784 /nfs/dbraw/zinc/07/27/84/268072784.db2.gz QBNDSZYLHQQJSE-LBPRGKRZSA-N 2 1 306.435 1.297 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000344275633 268072785 /nfs/dbraw/zinc/07/27/85/268072785.db2.gz QBNDSZYLHQQJSE-LBPRGKRZSA-N 2 1 306.435 1.297 20 30 DDEDMP CC(C)[NH+]1CCC(N2CC[NH+](CCOCCC#N)CC2)CC1 ZINC000339040257 277582969 /nfs/dbraw/zinc/58/29/69/277582969.db2.gz FBBKVUWNTJKYKR-UHFFFAOYSA-N 2 1 308.470 1.407 20 30 DDEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000569722984 308148664 /nfs/dbraw/zinc/14/86/64/308148664.db2.gz GYQISGYAHHVMRN-MRXNPFEDSA-N 2 1 324.432 1.765 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921025 336377122 /nfs/dbraw/zinc/37/71/22/336377122.db2.gz DRAWLASSAUAHSW-KJFZJZGVSA-N 2 1 306.454 1.598 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000390881807 483981302 /nfs/dbraw/zinc/98/13/02/483981302.db2.gz FWXWSGFIHHOHAQ-DOTOQJQBSA-N 2 1 315.417 1.372 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000345715162 526430699 /nfs/dbraw/zinc/43/06/99/526430699.db2.gz MABGHFYNENGMCQ-CABCVRRESA-N 2 1 308.470 1.761 20 30 DDEDMP C#CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491818878 526976961 /nfs/dbraw/zinc/97/69/61/526976961.db2.gz RHAFJAKEAQTHKV-QGZVFWFLSA-N 2 1 305.466 1.714 20 30 DDEDMP CC[NH+](CC#CC[N@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000341884997 527879241 /nfs/dbraw/zinc/87/92/41/527879241.db2.gz RXGJHZDWWITWIV-ROUUACIJSA-N 2 1 308.466 1.992 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980242904 696716799 /nfs/dbraw/zinc/71/67/99/696716799.db2.gz UZDZDUGRSNNEII-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980242904 696716801 /nfs/dbraw/zinc/71/68/01/696716801.db2.gz UZDZDUGRSNNEII-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000974591942 695692506 /nfs/dbraw/zinc/69/25/06/695692506.db2.gz FYJLPFGSXHPLBF-HNNXBMFYSA-N 2 1 319.453 1.071 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722126 695718667 /nfs/dbraw/zinc/71/86/67/695718667.db2.gz CVARVHLLVNZAJC-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722126 695718670 /nfs/dbraw/zinc/71/86/70/695718670.db2.gz CVARVHLLVNZAJC-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722126 695718673 /nfs/dbraw/zinc/71/86/73/695718673.db2.gz CVARVHLLVNZAJC-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974722126 695718674 /nfs/dbraw/zinc/71/86/74/695718674.db2.gz CVARVHLLVNZAJC-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)C)CC2(C)C)CC1 ZINC000977635414 696241372 /nfs/dbraw/zinc/24/13/72/696241372.db2.gz ANDHMBKPKIXIBL-QGZVFWFLSA-N 2 1 317.477 1.734 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+](CCC3)C4)[C@@H]2C1 ZINC000978316742 696363376 /nfs/dbraw/zinc/36/33/76/696363376.db2.gz BYMBMUYHTWDRFM-PHZGNYQRSA-N 2 1 303.450 1.342 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(F)cc1 ZINC000104182134 696619319 /nfs/dbraw/zinc/61/93/19/696619319.db2.gz SUHDDMMLSXOFEJ-OAHLLOKOSA-N 2 1 322.428 1.983 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC000980167873 696698062 /nfs/dbraw/zinc/69/80/62/696698062.db2.gz GEARITBZFZOHKV-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000981168813 697024739 /nfs/dbraw/zinc/02/47/39/697024739.db2.gz JZMVXXCLWTWSKB-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000981168813 697024742 /nfs/dbraw/zinc/02/47/42/697024742.db2.gz JZMVXXCLWTWSKB-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981168813 697024745 /nfs/dbraw/zinc/02/47/45/697024745.db2.gz JZMVXXCLWTWSKB-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000981168813 697024748 /nfs/dbraw/zinc/02/47/48/697024748.db2.gz JZMVXXCLWTWSKB-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982151521 697043990 /nfs/dbraw/zinc/04/39/90/697043990.db2.gz FECWYJCTOPVZEC-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982151521 697043991 /nfs/dbraw/zinc/04/39/91/697043991.db2.gz FECWYJCTOPVZEC-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982151521 697043992 /nfs/dbraw/zinc/04/39/92/697043992.db2.gz FECWYJCTOPVZEC-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552616 697149114 /nfs/dbraw/zinc/14/91/14/697149114.db2.gz AJMMEARMULHTAP-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552616 697149116 /nfs/dbraw/zinc/14/91/16/697149116.db2.gz AJMMEARMULHTAP-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982552616 697149118 /nfs/dbraw/zinc/14/91/18/697149118.db2.gz AJMMEARMULHTAP-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@@H]1C ZINC000986961008 697960262 /nfs/dbraw/zinc/96/02/62/697960262.db2.gz PYEJHJHOYQMRIJ-UKRRQHHQSA-N 2 1 316.405 1.096 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1c(C)noc1C ZINC000269694840 698524533 /nfs/dbraw/zinc/52/45/33/698524533.db2.gz KPWVHTVEJNZKLD-FZMZJTMJSA-N 2 1 307.442 1.784 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000303875244 698608120 /nfs/dbraw/zinc/60/81/20/698608120.db2.gz HNFKGQDBDKVBRG-HOTGVXAUSA-N 2 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303875244 698608125 /nfs/dbraw/zinc/60/81/25/698608125.db2.gz HNFKGQDBDKVBRG-HOTGVXAUSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000303875244 698608128 /nfs/dbraw/zinc/60/81/28/698608128.db2.gz HNFKGQDBDKVBRG-HOTGVXAUSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(C)C)nc1 ZINC000303907963 698611282 /nfs/dbraw/zinc/61/12/82/698611282.db2.gz XGXSNMMWJXDRBP-HNNXBMFYSA-N 2 1 319.453 1.757 20 30 DDEDMP C[C@@H]1CCC[C@H](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304507725 698621994 /nfs/dbraw/zinc/62/19/94/698621994.db2.gz STYYFKACOGKPLX-HZPDHXFCSA-N 2 1 310.486 1.829 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711421629 699257968 /nfs/dbraw/zinc/25/79/68/699257968.db2.gz XIEFSHYRTUXSSO-GASCZTMLSA-N 2 1 309.454 1.834 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711421629 699257969 /nfs/dbraw/zinc/25/79/69/699257969.db2.gz XIEFSHYRTUXSSO-GASCZTMLSA-N 2 1 309.454 1.834 20 30 DDEDMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877450864 706110109 /nfs/dbraw/zinc/11/01/09/706110109.db2.gz HCJUNOUSIDXVPQ-KZNAEPCWSA-N 2 1 324.428 1.440 20 30 DDEDMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877450864 706110110 /nfs/dbraw/zinc/11/01/10/706110110.db2.gz HCJUNOUSIDXVPQ-KZNAEPCWSA-N 2 1 324.428 1.440 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000834488218 707067845 /nfs/dbraw/zinc/06/78/45/707067845.db2.gz ALQGERDTNIDTFX-ZACQAIPSSA-N 2 1 312.417 1.269 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000884140577 708157383 /nfs/dbraw/zinc/15/73/83/708157383.db2.gz XVEOSBFWOYPOJH-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000884140577 708157386 /nfs/dbraw/zinc/15/73/86/708157386.db2.gz XVEOSBFWOYPOJH-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000884140577 708157389 /nfs/dbraw/zinc/15/73/89/708157389.db2.gz XVEOSBFWOYPOJH-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000884140577 708157392 /nfs/dbraw/zinc/15/73/92/708157392.db2.gz XVEOSBFWOYPOJH-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000884393915 708278276 /nfs/dbraw/zinc/27/82/76/708278276.db2.gz PHRQWOKCBLVRGH-YLADIXGZSA-N 2 1 316.449 1.259 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000888794968 709382562 /nfs/dbraw/zinc/38/25/62/709382562.db2.gz BSLNGVVXSPSDEQ-SJORKVTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000888794968 709382564 /nfs/dbraw/zinc/38/25/64/709382564.db2.gz BSLNGVVXSPSDEQ-SJORKVTESA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000890364481 709837373 /nfs/dbraw/zinc/83/73/73/709837373.db2.gz ASQIWPCPKSJXDA-SJLPKXTDSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000890364481 709837377 /nfs/dbraw/zinc/83/73/77/709837377.db2.gz ASQIWPCPKSJXDA-SJLPKXTDSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000890364481 709837382 /nfs/dbraw/zinc/83/73/82/709837382.db2.gz ASQIWPCPKSJXDA-SJLPKXTDSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000890364481 709837387 /nfs/dbraw/zinc/83/73/87/709837387.db2.gz ASQIWPCPKSJXDA-SJLPKXTDSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000890376952 709846349 /nfs/dbraw/zinc/84/63/49/709846349.db2.gz DODFKAVOZGKXJQ-KRWDZBQOSA-N 2 1 314.433 1.967 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000890376952 709846354 /nfs/dbraw/zinc/84/63/54/709846354.db2.gz DODFKAVOZGKXJQ-KRWDZBQOSA-N 2 1 314.433 1.967 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000890377545 709847561 /nfs/dbraw/zinc/84/75/61/709847561.db2.gz NFGYZHUFVMAZHG-MRXNPFEDSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)CC(C)C)C1 ZINC000890377545 709847564 /nfs/dbraw/zinc/84/75/64/709847564.db2.gz NFGYZHUFVMAZHG-MRXNPFEDSA-N 2 1 308.470 1.313 20 30 DDEDMP N#CC1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1 ZINC000903449869 711131080 /nfs/dbraw/zinc/13/10/80/711131080.db2.gz JULJCAWVHAYNRS-UYSNPLJNSA-N 2 1 306.454 1.636 20 30 DDEDMP N#CC1(CCCC[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)CCC1 ZINC000903745474 711266011 /nfs/dbraw/zinc/26/60/11/711266011.db2.gz ILTBIUFLGSQHDE-INIZCTEOSA-N 2 1 318.465 1.747 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000921384309 713751542 /nfs/dbraw/zinc/75/15/42/713751542.db2.gz MNGNBIBKIZZASA-HUUCEWRRSA-N 2 1 318.465 1.351 20 30 DDEDMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)CC#N ZINC000930449372 713837718 /nfs/dbraw/zinc/83/77/18/713837718.db2.gz APVMQRRKONGROR-GOSISDBHSA-N 2 1 316.449 1.011 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429332 714093894 /nfs/dbraw/zinc/09/38/94/714093894.db2.gz DYVFPVFFIRXHTL-HRCADAONSA-N 2 1 318.465 1.601 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429332 714093897 /nfs/dbraw/zinc/09/38/97/714093897.db2.gz DYVFPVFFIRXHTL-HRCADAONSA-N 2 1 318.465 1.601 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429332 714093900 /nfs/dbraw/zinc/09/39/00/714093900.db2.gz DYVFPVFFIRXHTL-HRCADAONSA-N 2 1 318.465 1.601 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429332 714093904 /nfs/dbraw/zinc/09/39/04/714093904.db2.gz DYVFPVFFIRXHTL-HRCADAONSA-N 2 1 318.465 1.601 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)Nc2ccnc(C[NH+](C)C)c2)CC1 ZINC000932175300 714279082 /nfs/dbraw/zinc/27/90/82/714279082.db2.gz XDAXLOBWHFHBTQ-UHFFFAOYSA-N 2 1 315.421 1.362 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CSCC[NH+](CC)CC)C1 ZINC000923576851 714413582 /nfs/dbraw/zinc/41/35/82/714413582.db2.gz MJFWMBJFMCCBMI-OAHLLOKOSA-N 2 1 311.495 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CSCC[NH+](CC)CC)C1 ZINC000923576851 714413584 /nfs/dbraw/zinc/41/35/84/714413584.db2.gz MJFWMBJFMCCBMI-OAHLLOKOSA-N 2 1 311.495 1.275 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000959914171 716351735 /nfs/dbraw/zinc/35/17/35/716351735.db2.gz OUMRPVNOCHFRHZ-DZJNRPSUSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000959914171 716351740 /nfs/dbraw/zinc/35/17/40/716351740.db2.gz OUMRPVNOCHFRHZ-DZJNRPSUSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000959914171 716351746 /nfs/dbraw/zinc/35/17/46/716351746.db2.gz OUMRPVNOCHFRHZ-DZJNRPSUSA-N 2 1 315.461 1.321 20 30 DDEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961350521 716920060 /nfs/dbraw/zinc/92/00/60/716920060.db2.gz XQHSTQXCLADGSW-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961607487 717026882 /nfs/dbraw/zinc/02/68/82/717026882.db2.gz OBRXZDXJEQQXMC-SIXLDLHFSA-N 2 1 314.433 1.376 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000961607487 717026886 /nfs/dbraw/zinc/02/68/86/717026886.db2.gz OBRXZDXJEQQXMC-SIXLDLHFSA-N 2 1 314.433 1.376 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940978321 717058619 /nfs/dbraw/zinc/05/86/19/717058619.db2.gz AGXPNBLDICLTNR-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940978321 717058622 /nfs/dbraw/zinc/05/86/22/717058622.db2.gz AGXPNBLDICLTNR-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940978321 717058625 /nfs/dbraw/zinc/05/86/25/717058625.db2.gz AGXPNBLDICLTNR-ULQDDVLXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313937 717738394 /nfs/dbraw/zinc/73/83/94/717738394.db2.gz IVVJQLKSSYMPOC-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755347 718184184 /nfs/dbraw/zinc/18/41/84/718184184.db2.gz CEUPTLWCXCZTKU-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947617117 719228032 /nfs/dbraw/zinc/22/80/32/719228032.db2.gz VFOHDTPFVCAUBA-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CC)[C@H](C)C2)CC1 ZINC000948069749 719349337 /nfs/dbraw/zinc/34/93/37/719349337.db2.gz KAZZEOMZMPYOQD-SJLPKXTDSA-N 2 1 315.461 1.324 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968493720 719622493 /nfs/dbraw/zinc/62/24/93/719622493.db2.gz WNCREZMHKDGTAI-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948775720 719700959 /nfs/dbraw/zinc/70/09/59/719700959.db2.gz PIAFRWLNFDUCMK-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775720 719700960 /nfs/dbraw/zinc/70/09/60/719700960.db2.gz PIAFRWLNFDUCMK-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948775720 719700962 /nfs/dbraw/zinc/70/09/62/719700962.db2.gz PIAFRWLNFDUCMK-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)CC[C@H]2C)CC1 ZINC000968682401 719733715 /nfs/dbraw/zinc/73/37/15/719733715.db2.gz RAXNRTJRNPOAGD-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000968888284 719845139 /nfs/dbraw/zinc/84/51/39/719845139.db2.gz SIIIDGIOTBZAFN-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888284 719845147 /nfs/dbraw/zinc/84/51/47/719845147.db2.gz SIIIDGIOTBZAFN-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000968888284 719845155 /nfs/dbraw/zinc/84/51/55/719845155.db2.gz SIIIDGIOTBZAFN-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968906597 719858916 /nfs/dbraw/zinc/85/89/16/719858916.db2.gz AMXJUELEVGEJTH-BRWVUGGUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968906597 719858922 /nfs/dbraw/zinc/85/89/22/719858922.db2.gz AMXJUELEVGEJTH-BRWVUGGUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968906597 719858928 /nfs/dbraw/zinc/85/89/28/719858928.db2.gz AMXJUELEVGEJTH-BRWVUGGUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968906597 719858933 /nfs/dbraw/zinc/85/89/33/719858933.db2.gz AMXJUELEVGEJTH-BRWVUGGUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153566 719978948 /nfs/dbraw/zinc/97/89/48/719978948.db2.gz KAMSVRWEISGEQV-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153566 719978950 /nfs/dbraw/zinc/97/89/50/719978950.db2.gz KAMSVRWEISGEQV-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153566 719978952 /nfs/dbraw/zinc/97/89/52/719978952.db2.gz KAMSVRWEISGEQV-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153566 719978954 /nfs/dbraw/zinc/97/89/54/719978954.db2.gz KAMSVRWEISGEQV-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCN1CCN(C(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000949820945 720363651 /nfs/dbraw/zinc/36/36/51/720363651.db2.gz FHSAZFHGBJTPCK-QGZVFWFLSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833127 720525559 /nfs/dbraw/zinc/52/55/59/720525559.db2.gz LYVJNPURNHBCKR-PBHICJAKSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000969833127 720525561 /nfs/dbraw/zinc/52/55/61/720525561.db2.gz LYVJNPURNHBCKR-PBHICJAKSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969833127 720525564 /nfs/dbraw/zinc/52/55/64/720525564.db2.gz LYVJNPURNHBCKR-PBHICJAKSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554973 735309754 /nfs/dbraw/zinc/30/97/54/735309754.db2.gz RXGOZHNEEKCNPB-ULQDDVLXSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001027687522 738548290 /nfs/dbraw/zinc/54/82/90/738548290.db2.gz PHPUVOOQNSHHDT-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001027687522 738548291 /nfs/dbraw/zinc/54/82/91/738548291.db2.gz PHPUVOOQNSHHDT-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001027687522 738548292 /nfs/dbraw/zinc/54/82/92/738548292.db2.gz PHPUVOOQNSHHDT-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027687522 738548293 /nfs/dbraw/zinc/54/82/93/738548293.db2.gz PHPUVOOQNSHHDT-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001027687522 738548294 /nfs/dbraw/zinc/54/82/94/738548294.db2.gz PHPUVOOQNSHHDT-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001027694808 738558609 /nfs/dbraw/zinc/55/86/09/738558609.db2.gz JCSHGBYYKPJWLC-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001167240132 732856164 /nfs/dbraw/zinc/85/61/64/732856164.db2.gz BOSLVZHMYZDITO-UHFFFAOYSA-N 2 1 305.466 1.618 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447585 735236474 /nfs/dbraw/zinc/23/64/74/735236474.db2.gz QHJUJSVEDQPDOL-HZPDHXFCSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001023447860 735243588 /nfs/dbraw/zinc/24/35/88/735243588.db2.gz YUJCFQRQUXZQIN-LSDHHAIUSA-N 2 1 302.422 1.460 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024377016 735794352 /nfs/dbraw/zinc/79/43/52/735794352.db2.gz HQPVRDBAYWNJFM-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024377016 735794355 /nfs/dbraw/zinc/79/43/55/735794355.db2.gz HQPVRDBAYWNJFM-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024377016 735794359 /nfs/dbraw/zinc/79/43/59/735794359.db2.gz HQPVRDBAYWNJFM-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001024377016 735794363 /nfs/dbraw/zinc/79/43/63/735794363.db2.gz HQPVRDBAYWNJFM-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436626 735816661 /nfs/dbraw/zinc/81/66/61/735816661.db2.gz GBOMEXPMWNCDTC-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001024436626 735816664 /nfs/dbraw/zinc/81/66/64/735816664.db2.gz GBOMEXPMWNCDTC-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001024436626 735816666 /nfs/dbraw/zinc/81/66/66/735816666.db2.gz GBOMEXPMWNCDTC-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436626 735816672 /nfs/dbraw/zinc/81/66/72/735816672.db2.gz GBOMEXPMWNCDTC-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024438301 735827804 /nfs/dbraw/zinc/82/78/04/735827804.db2.gz LBUXBUGNVSKKGD-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534099 735909508 /nfs/dbraw/zinc/90/95/08/735909508.db2.gz FCCAMHKWWXMIAS-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317099 736079862 /nfs/dbraw/zinc/07/98/62/736079862.db2.gz CQCRYXCRQZNVBQ-NJAFHUGGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468044 736704070 /nfs/dbraw/zinc/70/40/70/736704070.db2.gz HIXMSIOYQWGVKI-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(Cl)CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025818644 736870279 /nfs/dbraw/zinc/87/02/79/736870279.db2.gz XRCVBBOUUZXXQL-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001025818644 736870282 /nfs/dbraw/zinc/87/02/82/736870282.db2.gz XRCVBBOUUZXXQL-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001025818644 736870287 /nfs/dbraw/zinc/87/02/87/736870287.db2.gz XRCVBBOUUZXXQL-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025818644 736870291 /nfs/dbraw/zinc/87/02/91/736870291.db2.gz XRCVBBOUUZXXQL-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025818644 736870295 /nfs/dbraw/zinc/87/02/95/736870295.db2.gz XRCVBBOUUZXXQL-AALSBFMBSA-N 2 1 323.868 1.802 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001027414254 738272880 /nfs/dbraw/zinc/27/28/80/738272880.db2.gz KXUDMWVAHNYDKN-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001027486535 738342228 /nfs/dbraw/zinc/34/22/28/738342228.db2.gz GLOZQBXYZUMMSI-INIZCTEOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027546519 738392317 /nfs/dbraw/zinc/39/23/17/738392317.db2.gz PYIPDXQGLJOPCE-OAHLLOKOSA-N 2 1 303.406 1.511 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041359816 739069897 /nfs/dbraw/zinc/06/98/97/739069897.db2.gz VKONVEDQSBPFTH-FUHWJXTLSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768098 740013496 /nfs/dbraw/zinc/01/34/96/740013496.db2.gz VWUZVVRHKNENPI-CABCVRRESA-N 2 1 302.422 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768098 740013499 /nfs/dbraw/zinc/01/34/99/740013499.db2.gz VWUZVVRHKNENPI-CABCVRRESA-N 2 1 302.422 1.378 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001028805308 740063326 /nfs/dbraw/zinc/06/33/26/740063326.db2.gz MYTMLDRACRRPII-KRWDZBQOSA-N 2 1 313.445 1.476 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845108 740104745 /nfs/dbraw/zinc/10/47/45/740104745.db2.gz GFLKCFHRAGZXBR-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845108 740104749 /nfs/dbraw/zinc/10/47/49/740104749.db2.gz GFLKCFHRAGZXBR-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845108 740104751 /nfs/dbraw/zinc/10/47/51/740104751.db2.gz GFLKCFHRAGZXBR-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799924 740554586 /nfs/dbraw/zinc/55/45/86/740554586.db2.gz OFOZKQLFBMVFCM-HRCADAONSA-N 2 1 323.868 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075799924 740554587 /nfs/dbraw/zinc/55/45/87/740554587.db2.gz OFOZKQLFBMVFCM-HRCADAONSA-N 2 1 323.868 1.613 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998177292 751568747 /nfs/dbraw/zinc/56/87/47/751568747.db2.gz RZMOTZVLJNKWEH-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665495 740700210 /nfs/dbraw/zinc/70/02/10/740700210.db2.gz SCRGHBDKDOLSDR-HNCZQISISA-N 2 1 319.449 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665495 740700215 /nfs/dbraw/zinc/70/02/15/740700215.db2.gz SCRGHBDKDOLSDR-HNCZQISISA-N 2 1 319.449 1.005 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665495 740700218 /nfs/dbraw/zinc/70/02/18/740700218.db2.gz SCRGHBDKDOLSDR-HNCZQISISA-N 2 1 319.449 1.005 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908934 740846895 /nfs/dbraw/zinc/84/68/95/740846895.db2.gz SSUJYTRFEQRYSR-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908934 740846900 /nfs/dbraw/zinc/84/69/00/740846900.db2.gz SSUJYTRFEQRYSR-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908934 740846904 /nfs/dbraw/zinc/84/69/04/740846904.db2.gz SSUJYTRFEQRYSR-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105827 741034037 /nfs/dbraw/zinc/03/40/37/741034037.db2.gz DMYLSYFYBKDVHU-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105827 741034039 /nfs/dbraw/zinc/03/40/39/741034039.db2.gz DMYLSYFYBKDVHU-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088105827 741034042 /nfs/dbraw/zinc/03/40/42/741034042.db2.gz DMYLSYFYBKDVHU-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107982060 751641741 /nfs/dbraw/zinc/64/17/41/751641741.db2.gz OFYUTJPWLZHKKN-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982060 751641743 /nfs/dbraw/zinc/64/17/43/751641743.db2.gz OFYUTJPWLZHKKN-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241468 741838732 /nfs/dbraw/zinc/83/87/32/741838732.db2.gz YAKFDHSCYOAXPN-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241468 741838735 /nfs/dbraw/zinc/83/87/35/741838735.db2.gz YAKFDHSCYOAXPN-MRXNPFEDSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181517607 743246545 /nfs/dbraw/zinc/24/65/45/743246545.db2.gz KICPBTBDEFSNPH-KYHPRHEASA-N 2 1 305.466 1.424 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC#Cc2cccc(Cl)c2)C1 ZINC001151049397 743269245 /nfs/dbraw/zinc/26/92/45/743269245.db2.gz NLMHGGFBSHQFAV-HNNXBMFYSA-N 2 1 319.836 1.349 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181793263 743345489 /nfs/dbraw/zinc/34/54/89/743345489.db2.gz OUPDMLGITBDNLF-ZHALLVOQSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCOC(C)C)C1 ZINC001183361165 743823259 /nfs/dbraw/zinc/82/32/59/743823259.db2.gz JFSSNGWKSCTHQC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCOC(C)C)C1 ZINC001183361165 743823263 /nfs/dbraw/zinc/82/32/63/743823263.db2.gz JFSSNGWKSCTHQC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001183509497 743849721 /nfs/dbraw/zinc/84/97/21/743849721.db2.gz JGGTZFVHABUXQD-SJLPKXTDSA-N 2 1 323.481 1.051 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035794955 751882088 /nfs/dbraw/zinc/88/20/88/751882088.db2.gz NTDZVBUMEIWQKR-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001120430158 744203303 /nfs/dbraw/zinc/20/33/03/744203303.db2.gz IUGAHEKWNVQOFZ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860740 744245533 /nfs/dbraw/zinc/24/55/33/744245533.db2.gz ZOTLCLNZZMVEEL-VKJFTORMSA-N 2 1 323.456 1.801 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860740 744245535 /nfs/dbraw/zinc/24/55/35/744245535.db2.gz ZOTLCLNZZMVEEL-VKJFTORMSA-N 2 1 323.456 1.801 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860740 744245536 /nfs/dbraw/zinc/24/55/36/744245536.db2.gz ZOTLCLNZZMVEEL-VKJFTORMSA-N 2 1 323.456 1.801 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001185658917 744264878 /nfs/dbraw/zinc/26/48/78/744264878.db2.gz AEUJWNLDYJUTJZ-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186604441 744426447 /nfs/dbraw/zinc/42/64/47/744426447.db2.gz DGSJHDMNZZOOEA-KRWDZBQOSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C12CCC2 ZINC001203651708 744484382 /nfs/dbraw/zinc/48/43/82/744484382.db2.gz PEBDSQJRYYKPNY-JKSUJKDBSA-N 2 1 323.481 1.548 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001187843252 744617416 /nfs/dbraw/zinc/61/74/16/744617416.db2.gz ZLKMWZGIXZVFOO-GOSISDBHSA-N 2 1 322.412 1.434 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001187945421 744637936 /nfs/dbraw/zinc/63/79/36/744637936.db2.gz YZVITHMCSFNRGC-RCCFBDPRSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@H]12 ZINC000992365624 744826009 /nfs/dbraw/zinc/82/60/09/744826009.db2.gz CUYTYIPBURBSDO-HKUYNNGSSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992432325 744872845 /nfs/dbraw/zinc/87/28/45/744872845.db2.gz QDTCPSPEFDBUDP-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992432325 744872848 /nfs/dbraw/zinc/87/28/48/744872848.db2.gz QDTCPSPEFDBUDP-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@H]12 ZINC000992432325 744872851 /nfs/dbraw/zinc/87/28/51/744872851.db2.gz QDTCPSPEFDBUDP-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC=C)CC1 ZINC001205479464 745075819 /nfs/dbraw/zinc/07/58/19/745075819.db2.gz NPBSTPDHRTZKGM-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCCC=C)CC1 ZINC001205479464 745075826 /nfs/dbraw/zinc/07/58/26/745075826.db2.gz NPBSTPDHRTZKGM-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106150684 745128472 /nfs/dbraw/zinc/12/84/72/745128472.db2.gz APABJKFUCLVPSP-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001168463113 745282720 /nfs/dbraw/zinc/28/27/20/745282720.db2.gz NEBMYCLKRWYQEM-UHFFFAOYSA-N 2 1 313.445 1.628 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001168463113 745282724 /nfs/dbraw/zinc/28/27/24/745282724.db2.gz NEBMYCLKRWYQEM-UHFFFAOYSA-N 2 1 313.445 1.628 20 30 DDEDMP C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192845834 745914902 /nfs/dbraw/zinc/91/49/02/745914902.db2.gz JQBYBRJEVLIAOA-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192845834 745914905 /nfs/dbraw/zinc/91/49/05/745914905.db2.gz JQBYBRJEVLIAOA-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001106729806 745979062 /nfs/dbraw/zinc/97/90/62/745979062.db2.gz ZXGVLVQKGQLGKP-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993337503 746009682 /nfs/dbraw/zinc/00/96/82/746009682.db2.gz ZQVGGZGQZZGORF-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993337503 746009686 /nfs/dbraw/zinc/00/96/86/746009686.db2.gz ZQVGGZGQZZGORF-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993494730 746175997 /nfs/dbraw/zinc/17/59/97/746175997.db2.gz QVLQMIXWOSBEPS-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC000993494730 746176002 /nfs/dbraw/zinc/17/60/02/746176002.db2.gz QVLQMIXWOSBEPS-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994273912 746559863 /nfs/dbraw/zinc/55/98/63/746559863.db2.gz ZWNGLQGTZLUTGE-ZBFHGGJFSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994273912 746559866 /nfs/dbraw/zinc/55/98/66/746559866.db2.gz ZWNGLQGTZLUTGE-ZBFHGGJFSA-N 2 1 314.433 1.754 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677156 746669542 /nfs/dbraw/zinc/66/95/42/746669542.db2.gz NRDHNCNIQFQNIJ-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCF)[C@H]2C)CC1 ZINC000994501333 746697505 /nfs/dbraw/zinc/69/75/05/746697505.db2.gz SVBCVSLMEXQIEN-HOCLYGCPSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCF)[C@H]2C)CC1 ZINC000994501333 746697507 /nfs/dbraw/zinc/69/75/07/746697507.db2.gz SVBCVSLMEXQIEN-HOCLYGCPSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC=C)CC(C)(C)C1 ZINC001089408874 746821004 /nfs/dbraw/zinc/82/10/04/746821004.db2.gz ISCFUPWRQUSIGI-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC=C)CC(C)(C)C1 ZINC001089408874 746821012 /nfs/dbraw/zinc/82/10/12/746821012.db2.gz ISCFUPWRQUSIGI-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C)CC(C)(C)C1 ZINC001089408874 746821018 /nfs/dbraw/zinc/82/10/18/746821018.db2.gz ISCFUPWRQUSIGI-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C)CC(C)(C)C1 ZINC001089408874 746821024 /nfs/dbraw/zinc/82/10/24/746821024.db2.gz ISCFUPWRQUSIGI-IRXDYDNUSA-N 2 1 317.477 1.877 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491786 747094307 /nfs/dbraw/zinc/09/43/07/747094307.db2.gz VCFLYDXETQZONL-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491786 747094312 /nfs/dbraw/zinc/09/43/12/747094312.db2.gz VCFLYDXETQZONL-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC(C)(C)C1 ZINC001089491786 747094315 /nfs/dbraw/zinc/09/43/15/747094315.db2.gz VCFLYDXETQZONL-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197454640 747178276 /nfs/dbraw/zinc/17/82/76/747178276.db2.gz STGFUJGMVVBKGQ-UHFFFAOYSA-N 2 1 302.422 1.529 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001197454640 747178285 /nfs/dbraw/zinc/17/82/85/747178285.db2.gz STGFUJGMVVBKGQ-UHFFFAOYSA-N 2 1 302.422 1.529 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673605 747364322 /nfs/dbraw/zinc/36/43/22/747364322.db2.gz PTYIBQWXJYEJOX-INIZCTEOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673605 747364327 /nfs/dbraw/zinc/36/43/27/747364327.db2.gz PTYIBQWXJYEJOX-INIZCTEOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001036099484 752195968 /nfs/dbraw/zinc/19/59/68/752195968.db2.gz ZBQMQDSFCACJRZ-GXTWGEPZSA-N 2 1 306.410 1.362 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200124097 748141877 /nfs/dbraw/zinc/14/18/77/748141877.db2.gz XWCAFHYSOHBOMI-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200553796 748268191 /nfs/dbraw/zinc/26/81/91/748268191.db2.gz AGFWKKKVBHBGBV-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004366291 748366546 /nfs/dbraw/zinc/36/65/46/748366546.db2.gz BJEKMSNNRVKHSA-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004366291 748366552 /nfs/dbraw/zinc/36/65/52/748366552.db2.gz BJEKMSNNRVKHSA-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001004366291 748366555 /nfs/dbraw/zinc/36/65/55/748366555.db2.gz BJEKMSNNRVKHSA-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033162962 748690599 /nfs/dbraw/zinc/69/05/99/748690599.db2.gz VUJADKSULAALKJ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033162962 748690602 /nfs/dbraw/zinc/69/06/02/748690602.db2.gz VUJADKSULAALKJ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033162962 748690604 /nfs/dbraw/zinc/69/06/04/748690604.db2.gz VUJADKSULAALKJ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033162962 748690606 /nfs/dbraw/zinc/69/06/06/748690606.db2.gz VUJADKSULAALKJ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC2CC2)C1 ZINC001033162962 748690608 /nfs/dbraw/zinc/69/06/08/748690608.db2.gz VUJADKSULAALKJ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001033201334 748909764 /nfs/dbraw/zinc/90/97/64/748909764.db2.gz ANBXBCQMGMOJTP-WBVHZDCISA-N 2 1 316.449 1.944 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=C)C)C(C)(C)C1 ZINC000995913874 749296305 /nfs/dbraw/zinc/29/63/05/749296305.db2.gz BBZJCCLNYZFUKA-HOTGVXAUSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=C)C)C(C)(C)C1 ZINC000995913874 749296310 /nfs/dbraw/zinc/29/63/10/749296310.db2.gz BBZJCCLNYZFUKA-HOTGVXAUSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996374574 749543218 /nfs/dbraw/zinc/54/32/18/749543218.db2.gz KGGRPILPGAEWMU-AWEZNQCLSA-N 2 1 302.422 1.466 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039377454 761978418 /nfs/dbraw/zinc/97/84/18/761978418.db2.gz YVNYZKJBQKAIIK-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377454 761978423 /nfs/dbraw/zinc/97/84/23/761978423.db2.gz YVNYZKJBQKAIIK-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377454 761978428 /nfs/dbraw/zinc/97/84/28/761978428.db2.gz YVNYZKJBQKAIIK-WCXIOVBPSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033831483 749953030 /nfs/dbraw/zinc/95/30/30/749953030.db2.gz WWUDEGJYTMUSBH-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033836114 749959830 /nfs/dbraw/zinc/95/98/30/749959830.db2.gz LLDMURMNWLUSQW-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001034046657 750314072 /nfs/dbraw/zinc/31/40/72/750314072.db2.gz TXCSHVBQAXWKFQ-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489365 750496338 /nfs/dbraw/zinc/49/63/38/750496338.db2.gz BSOQJKYYKZLEIV-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489365 750496340 /nfs/dbraw/zinc/49/63/40/750496340.db2.gz BSOQJKYYKZLEIV-CQSZACIVSA-N 2 1 302.422 1.918 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001034642210 750624707 /nfs/dbraw/zinc/62/47/07/750624707.db2.gz BYKOMPSQUHNBBD-QBPKDAKJSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=C)Cl)CC1 ZINC001034664552 750636350 /nfs/dbraw/zinc/63/63/50/750636350.db2.gz HCBJMFMSWGUWGE-JYJNAYRXSA-N 2 1 323.868 1.854 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=C)Cl)CC1 ZINC001034664552 750636353 /nfs/dbraw/zinc/63/63/53/750636353.db2.gz HCBJMFMSWGUWGE-JYJNAYRXSA-N 2 1 323.868 1.854 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000997162325 750641248 /nfs/dbraw/zinc/64/12/48/750641248.db2.gz ITELHGFIAZNRRC-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001034749107 750796665 /nfs/dbraw/zinc/79/66/65/750796665.db2.gz GWRUQVZHMDHNRI-ULQDDVLXSA-N 2 1 305.466 1.900 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163424 750917275 /nfs/dbraw/zinc/91/72/75/750917275.db2.gz IJTCZPAHFDEWDE-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108163424 750917279 /nfs/dbraw/zinc/91/72/79/750917279.db2.gz IJTCZPAHFDEWDE-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001114774323 751071910 /nfs/dbraw/zinc/07/19/10/751071910.db2.gz LTEWWVRCBPXCKY-VQFNDLOPSA-N 2 1 312.417 1.056 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001114774323 751071917 /nfs/dbraw/zinc/07/19/17/751071917.db2.gz LTEWWVRCBPXCKY-VQFNDLOPSA-N 2 1 312.417 1.056 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001108421099 762114780 /nfs/dbraw/zinc/11/47/80/762114780.db2.gz HIFWDXBSCUYSKU-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421099 762114783 /nfs/dbraw/zinc/11/47/83/762114783.db2.gz HIFWDXBSCUYSKU-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001108421099 762114787 /nfs/dbraw/zinc/11/47/87/762114787.db2.gz HIFWDXBSCUYSKU-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001009172523 753097538 /nfs/dbraw/zinc/09/75/38/753097538.db2.gz ZXIOOSDDEIJCHE-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001009172523 753097540 /nfs/dbraw/zinc/09/75/40/753097540.db2.gz ZXIOOSDDEIJCHE-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009172523 753097543 /nfs/dbraw/zinc/09/75/43/753097543.db2.gz ZXIOOSDDEIJCHE-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001009172523 753097547 /nfs/dbraw/zinc/09/75/47/753097547.db2.gz ZXIOOSDDEIJCHE-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005869547 753283080 /nfs/dbraw/zinc/28/30/80/753283080.db2.gz MLHNWQRRNASBPA-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005869547 753283085 /nfs/dbraw/zinc/28/30/85/753283085.db2.gz MLHNWQRRNASBPA-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001108023015 753568800 /nfs/dbraw/zinc/56/88/00/753568800.db2.gz QODPVHMWWKYNDS-WBVHZDCISA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCc1nn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2c1C[NH2+]C2 ZINC001169133630 762249697 /nfs/dbraw/zinc/24/96/97/762249697.db2.gz IRIMYQASMAKBJC-BTTYYORXSA-N 2 1 302.422 1.987 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001000843279 762256481 /nfs/dbraw/zinc/25/64/81/762256481.db2.gz VCUBNGNCCHXVQA-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001000843279 762256488 /nfs/dbraw/zinc/25/64/88/762256488.db2.gz VCUBNGNCCHXVQA-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001000843279 762256493 /nfs/dbraw/zinc/25/64/93/762256493.db2.gz VCUBNGNCCHXVQA-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001924630 754582630 /nfs/dbraw/zinc/58/26/30/754582630.db2.gz LYEVKIABVNUDJE-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000908976 762331584 /nfs/dbraw/zinc/33/15/84/762331584.db2.gz LEPAFZOSBSXCCD-UHFFFAOYSA-N 2 1 308.385 1.720 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850658 755621683 /nfs/dbraw/zinc/62/16/83/755621683.db2.gz QGFZCUTYKTVTSC-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850658 755621689 /nfs/dbraw/zinc/62/16/89/755621689.db2.gz QGFZCUTYKTVTSC-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850658 755621695 /nfs/dbraw/zinc/62/16/95/755621695.db2.gz QGFZCUTYKTVTSC-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850658 755621699 /nfs/dbraw/zinc/62/16/99/755621699.db2.gz QGFZCUTYKTVTSC-KBAYOESNSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015694879 756471254 /nfs/dbraw/zinc/47/12/54/756471254.db2.gz CNQACMFDICGPNJ-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015694879 756471257 /nfs/dbraw/zinc/47/12/57/756471257.db2.gz CNQACMFDICGPNJ-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015694879 756471260 /nfs/dbraw/zinc/47/12/60/756471260.db2.gz CNQACMFDICGPNJ-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001016333840 756933464 /nfs/dbraw/zinc/93/34/64/756933464.db2.gz ZHWOMPFUPFGVNL-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393575 762523231 /nfs/dbraw/zinc/52/32/31/762523231.db2.gz CAIOGZQDECBIIL-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393575 762523239 /nfs/dbraw/zinc/52/32/39/762523239.db2.gz CAIOGZQDECBIIL-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393575 762523246 /nfs/dbraw/zinc/52/32/46/762523246.db2.gz CAIOGZQDECBIIL-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097846204 757600698 /nfs/dbraw/zinc/60/06/98/757600698.db2.gz XSSZLYIYVZQMNK-ABFRBSLYSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001097846204 757600702 /nfs/dbraw/zinc/60/07/02/757600702.db2.gz XSSZLYIYVZQMNK-ABFRBSLYSA-N 2 1 314.433 1.661 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001052704142 757667924 /nfs/dbraw/zinc/66/79/24/757667924.db2.gz ZVYRJCMHFJAYIT-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704142 757667931 /nfs/dbraw/zinc/66/79/31/757667931.db2.gz ZVYRJCMHFJAYIT-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC001052704142 757667938 /nfs/dbraw/zinc/66/79/38/757667938.db2.gz ZVYRJCMHFJAYIT-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084739132 757852337 /nfs/dbraw/zinc/85/23/37/757852337.db2.gz UPYCPCKLXDDKLP-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040530621 762580598 /nfs/dbraw/zinc/58/05/98/762580598.db2.gz DSFWCJCQYHWLRC-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040530621 762580604 /nfs/dbraw/zinc/58/06/04/762580604.db2.gz DSFWCJCQYHWLRC-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040530621 762580609 /nfs/dbraw/zinc/58/06/09/762580609.db2.gz DSFWCJCQYHWLRC-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C[C@@H]21 ZINC001084911258 758054059 /nfs/dbraw/zinc/05/40/59/758054059.db2.gz TYHVCELVFSEEQZ-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C[C@@H]21 ZINC001084911258 758054067 /nfs/dbraw/zinc/05/40/67/758054067.db2.gz TYHVCELVFSEEQZ-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911258 758054077 /nfs/dbraw/zinc/05/40/77/758054077.db2.gz TYHVCELVFSEEQZ-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)C[C@@H]21 ZINC001084911258 758054087 /nfs/dbraw/zinc/05/40/87/758054087.db2.gz TYHVCELVFSEEQZ-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017617196 758084781 /nfs/dbraw/zinc/08/47/81/758084781.db2.gz IQXUVTFULJQYQG-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017617196 758084790 /nfs/dbraw/zinc/08/47/90/758084790.db2.gz IQXUVTFULJQYQG-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017617196 758084798 /nfs/dbraw/zinc/08/47/98/758084798.db2.gz IQXUVTFULJQYQG-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001017848620 758295816 /nfs/dbraw/zinc/29/58/16/758295816.db2.gz DIRGIAOIAGTHMP-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001017848620 758295825 /nfs/dbraw/zinc/29/58/25/758295825.db2.gz DIRGIAOIAGTHMP-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017848620 758295830 /nfs/dbraw/zinc/29/58/30/758295830.db2.gz DIRGIAOIAGTHMP-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001017848620 758295841 /nfs/dbraw/zinc/29/58/41/758295841.db2.gz DIRGIAOIAGTHMP-LUKYLMHMSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C)CC2 ZINC001040731492 762664306 /nfs/dbraw/zinc/66/43/06/762664306.db2.gz KEEFQJWZFNCQLZ-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CC=C)CC2 ZINC001040731492 762664310 /nfs/dbraw/zinc/66/43/10/762664310.db2.gz KEEFQJWZFNCQLZ-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001040774594 762676934 /nfs/dbraw/zinc/67/69/34/762676934.db2.gz NWGDYPPAUXXSAW-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134487 759209360 /nfs/dbraw/zinc/20/93/60/759209360.db2.gz FMGGGKUBCFRGLV-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001054134487 759209363 /nfs/dbraw/zinc/20/93/63/759209363.db2.gz FMGGGKUBCFRGLV-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134487 759209367 /nfs/dbraw/zinc/20/93/67/759209367.db2.gz FMGGGKUBCFRGLV-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054145386 759222849 /nfs/dbraw/zinc/22/28/49/759222849.db2.gz OPJFFHAICXBZLN-SJLPKXTDSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CC)C3)C2)CC1 ZINC001054245688 759336934 /nfs/dbraw/zinc/33/69/34/759336934.db2.gz YVBOBKXMRUBEKA-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001018966113 759459104 /nfs/dbraw/zinc/45/91/04/759459104.db2.gz CIELZKWCNNQVBM-STQMWFEESA-N 2 1 308.813 1.704 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686234 760013227 /nfs/dbraw/zinc/01/32/27/760013227.db2.gz MZUQNFVXOFBKIM-MRXNPFEDSA-N 2 1 310.401 1.812 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086106494 760991788 /nfs/dbraw/zinc/99/17/88/760991788.db2.gz LSZYMTZZSXYLRI-HLLBOEOZSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538829 761185771 /nfs/dbraw/zinc/18/57/71/761185771.db2.gz YDLBRGINMGWVKS-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038538829 761185774 /nfs/dbraw/zinc/18/57/74/761185774.db2.gz YDLBRGINMGWVKS-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001038538829 761185776 /nfs/dbraw/zinc/18/57/76/761185776.db2.gz YDLBRGINMGWVKS-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162416 761547279 /nfs/dbraw/zinc/54/72/79/761547279.db2.gz WGPCIEANFIGSEL-GDBMZVCRSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1F ZINC001001520392 762933335 /nfs/dbraw/zinc/93/33/35/762933335.db2.gz UYUXQCAMAJXXTQ-KRWDZBQOSA-N 2 1 317.408 1.649 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1F ZINC001001520392 762933337 /nfs/dbraw/zinc/93/33/37/762933337.db2.gz UYUXQCAMAJXXTQ-KRWDZBQOSA-N 2 1 317.408 1.649 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432888 763027852 /nfs/dbraw/zinc/02/78/52/763027852.db2.gz UHCVXOIOKJXZLE-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432888 763027860 /nfs/dbraw/zinc/02/78/60/763027860.db2.gz UHCVXOIOKJXZLE-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432888 763027863 /nfs/dbraw/zinc/02/78/63/763027863.db2.gz UHCVXOIOKJXZLE-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001042096513 763646897 /nfs/dbraw/zinc/64/68/97/763646897.db2.gz ZUFUFCDWXACQCS-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042096513 763646898 /nfs/dbraw/zinc/64/68/98/763646898.db2.gz ZUFUFCDWXACQCS-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001042096513 763646899 /nfs/dbraw/zinc/64/68/99/763646899.db2.gz ZUFUFCDWXACQCS-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216668 763780208 /nfs/dbraw/zinc/78/02/08/763780208.db2.gz QJLLNLZSYANERX-RDJZCZTQSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235229 763797472 /nfs/dbraw/zinc/79/74/72/763797472.db2.gz TXMHBQGBDBPLQW-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235229 763797480 /nfs/dbraw/zinc/79/74/80/763797480.db2.gz TXMHBQGBDBPLQW-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235229 763797485 /nfs/dbraw/zinc/79/74/85/763797485.db2.gz TXMHBQGBDBPLQW-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001050662622 763886616 /nfs/dbraw/zinc/88/66/16/763886616.db2.gz ACDDEQNOFVGGQJ-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042354372 763955360 /nfs/dbraw/zinc/95/53/60/763955360.db2.gz FRNBQVRELKJHLC-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042354372 763955368 /nfs/dbraw/zinc/95/53/68/763955368.db2.gz FRNBQVRELKJHLC-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001109718853 763971781 /nfs/dbraw/zinc/97/17/81/763971781.db2.gz MKYGPBPLAYFGRC-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718853 763971786 /nfs/dbraw/zinc/97/17/86/763971786.db2.gz MKYGPBPLAYFGRC-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001109718853 763971790 /nfs/dbraw/zinc/97/17/90/763971790.db2.gz MKYGPBPLAYFGRC-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001050755763 764004751 /nfs/dbraw/zinc/00/47/51/764004751.db2.gz MPECTNNPVZVDJZ-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC001050756417 764006350 /nfs/dbraw/zinc/00/63/50/764006350.db2.gz XQJNXPSBZQHCQV-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001131597089 768208329 /nfs/dbraw/zinc/20/83/29/768208329.db2.gz KRONFIXETWKQQG-AEFFLSMTSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001112563073 764405081 /nfs/dbraw/zinc/40/50/81/764405081.db2.gz DQGPAAXVFKAWBH-LNLFQRSKSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567404 764410332 /nfs/dbraw/zinc/41/03/32/764410332.db2.gz MWGWZLJATGMFKD-HKUYNNGSSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC001044765164 765797055 /nfs/dbraw/zinc/79/70/55/765797055.db2.gz GNWWFCCMWTZVIT-HOTGVXAUSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052619342 766004367 /nfs/dbraw/zinc/00/43/67/766004367.db2.gz FUFPXHKNUDSQBW-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663692 766052115 /nfs/dbraw/zinc/05/21/15/766052115.db2.gz WSSKILHRAXBLBD-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052663692 766052119 /nfs/dbraw/zinc/05/21/19/766052119.db2.gz WSSKILHRAXBLBD-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001129770812 766998018 /nfs/dbraw/zinc/99/80/18/766998018.db2.gz LHNZJZGDVMBDRJ-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)cc1C ZINC001129770812 766998024 /nfs/dbraw/zinc/99/80/24/766998024.db2.gz LHNZJZGDVMBDRJ-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001129770530 766998058 /nfs/dbraw/zinc/99/80/58/766998058.db2.gz HIOBQCVZXYRVPO-ROUUACIJSA-N 2 1 311.429 1.477 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCc2ccccc21 ZINC001129770530 766998063 /nfs/dbraw/zinc/99/80/63/766998063.db2.gz HIOBQCVZXYRVPO-ROUUACIJSA-N 2 1 311.429 1.477 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001129774679 767000196 /nfs/dbraw/zinc/00/01/96/767000196.db2.gz DOOBSNNWFGOULO-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)cccc1C ZINC001129774679 767000208 /nfs/dbraw/zinc/00/02/08/767000208.db2.gz DOOBSNNWFGOULO-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001111678483 767673673 /nfs/dbraw/zinc/67/36/73/767673673.db2.gz GVRSTXSNLAQODW-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@H]1C ZINC001132937695 769334521 /nfs/dbraw/zinc/33/45/21/769334521.db2.gz NNTZAPDKZBMMHY-HZPDHXFCSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821113 770123505 /nfs/dbraw/zinc/12/35/05/770123505.db2.gz JMCWKWKFNGFAIJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821113 770123509 /nfs/dbraw/zinc/12/35/09/770123509.db2.gz JMCWKWKFNGFAIJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821113 770123517 /nfs/dbraw/zinc/12/35/17/770123517.db2.gz JMCWKWKFNGFAIJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821113 770123526 /nfs/dbraw/zinc/12/35/26/770123526.db2.gz JMCWKWKFNGFAIJ-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049024831 770262252 /nfs/dbraw/zinc/26/22/52/770262252.db2.gz DWKLQCKVRYBIFT-GASCZTMLSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846053 771202968 /nfs/dbraw/zinc/20/29/68/771202968.db2.gz FGOQJGIQKRJKNN-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049902649 771246117 /nfs/dbraw/zinc/24/61/17/771246117.db2.gz UQLNGHQUJVCBOE-HZPDHXFCSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049902649 771246124 /nfs/dbraw/zinc/24/61/24/771246124.db2.gz UQLNGHQUJVCBOE-HZPDHXFCSA-N 2 1 302.422 1.833 20 30 DDEDMP C[C@H](Cc1cnc[nH]1)C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001135071920 771307363 /nfs/dbraw/zinc/30/73/63/771307363.db2.gz MMSWBEXSGOJFLU-CYBMUJFWSA-N 2 1 311.389 1.366 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001091233481 772639483 /nfs/dbraw/zinc/63/94/83/772639483.db2.gz JAYXTPBVJWJNBC-UHFFFAOYSA-N 2 1 316.405 1.002 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683476 773380151 /nfs/dbraw/zinc/38/01/51/773380151.db2.gz SHYXDXNWVRSUES-KONPQCLYSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683476 773380159 /nfs/dbraw/zinc/38/01/59/773380159.db2.gz SHYXDXNWVRSUES-KONPQCLYSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@]2(C)C1 ZINC001091683476 773380168 /nfs/dbraw/zinc/38/01/68/773380168.db2.gz SHYXDXNWVRSUES-KONPQCLYSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001148292543 773434457 /nfs/dbraw/zinc/43/44/57/773434457.db2.gz KQRIIQJHCMDNQV-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292543 773434460 /nfs/dbraw/zinc/43/44/60/773434460.db2.gz KQRIIQJHCMDNQV-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001148292543 773434462 /nfs/dbraw/zinc/43/44/62/773434462.db2.gz KQRIIQJHCMDNQV-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC=C)C[C@@]2(C)C1 ZINC001091749258 773599157 /nfs/dbraw/zinc/59/91/57/773599157.db2.gz GTMDKANSCMUNKN-AOIWGVFYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC=C)C[C@@]2(C)C1 ZINC001091749258 773599161 /nfs/dbraw/zinc/59/91/61/773599161.db2.gz GTMDKANSCMUNKN-AOIWGVFYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC=C)C[C@@]2(C)C1 ZINC001091749258 773599165 /nfs/dbraw/zinc/59/91/65/773599165.db2.gz GTMDKANSCMUNKN-AOIWGVFYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC=C)C[C@@]2(C)C1 ZINC001091749258 773599168 /nfs/dbraw/zinc/59/91/68/773599168.db2.gz GTMDKANSCMUNKN-AOIWGVFYSA-N 2 1 315.461 1.440 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001148839926 773613884 /nfs/dbraw/zinc/61/38/84/773613884.db2.gz VEJLZQDBPNLSBQ-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907901 773709222 /nfs/dbraw/zinc/70/92/22/773709222.db2.gz GVRLWXCTSJRIHX-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@]2(C)C1 ZINC001091808166 773813317 /nfs/dbraw/zinc/81/33/17/773813317.db2.gz ZZHJYLLBDSNNLO-BEFAXECRSA-N 2 1 322.412 1.670 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611012 774188707 /nfs/dbraw/zinc/18/87/07/774188707.db2.gz DQLGKTUMKFSCKT-OIISXLGYSA-N 2 1 305.466 1.588 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092658045 774208614 /nfs/dbraw/zinc/20/86/14/774208614.db2.gz DKCQGNRVABHODW-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658045 774208621 /nfs/dbraw/zinc/20/86/21/774208621.db2.gz DKCQGNRVABHODW-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658045 774208623 /nfs/dbraw/zinc/20/86/23/774208623.db2.gz DKCQGNRVABHODW-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794508 774643033 /nfs/dbraw/zinc/64/30/33/774643033.db2.gz WHXLHSUXQNOZMA-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099145142 774863759 /nfs/dbraw/zinc/86/37/59/774863759.db2.gz RNLLKPIFRYWHGQ-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001099145142 774863765 /nfs/dbraw/zinc/86/37/65/774863765.db2.gz RNLLKPIFRYWHGQ-INIZCTEOSA-N 2 1 316.449 1.822 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527997 775018080 /nfs/dbraw/zinc/01/80/80/775018080.db2.gz FQOAHUAMQSVJHE-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544194 775022773 /nfs/dbraw/zinc/02/27/73/775022773.db2.gz MNPNALRJJIPNCT-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544194 775022780 /nfs/dbraw/zinc/02/27/80/775022780.db2.gz MNPNALRJJIPNCT-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544194 775022787 /nfs/dbraw/zinc/02/27/87/775022787.db2.gz MNPNALRJJIPNCT-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171628969 776353807 /nfs/dbraw/zinc/35/38/07/776353807.db2.gz DFWCLAXGVCPYIT-CYBMUJFWSA-N 2 1 306.410 1.248 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001100729370 776478704 /nfs/dbraw/zinc/47/87/04/776478704.db2.gz CMBGEXCAWHYIGI-OFLPRAFFSA-N 2 1 305.466 1.757 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001101035860 776843797 /nfs/dbraw/zinc/84/37/97/776843797.db2.gz CDRMQZITOGWQSZ-VJFUWPCTSA-N 2 1 313.445 1.797 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377138 778106977 /nfs/dbraw/zinc/10/69/77/778106977.db2.gz PXTHODZUJUFXBE-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377138 778106982 /nfs/dbraw/zinc/10/69/82/778106982.db2.gz PXTHODZUJUFXBE-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377138 778106989 /nfs/dbraw/zinc/10/69/89/778106989.db2.gz PXTHODZUJUFXBE-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176971602 778356823 /nfs/dbraw/zinc/35/68/23/778356823.db2.gz FFEWAPRFBFDTIC-UHFFFAOYSA-N 2 1 302.422 1.494 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001176980870 778364475 /nfs/dbraw/zinc/36/44/75/778364475.db2.gz UMIVFPQMBGRQHS-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177017165 778394091 /nfs/dbraw/zinc/39/40/91/778394091.db2.gz ZGQVRTLITGFMGR-KRWDZBQOSA-N 2 1 319.449 1.588 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111670 778645722 /nfs/dbraw/zinc/64/57/22/778645722.db2.gz HOXKREPPYJVJRG-ZACQAIPSSA-N 2 1 307.482 1.670 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001103495552 778901631 /nfs/dbraw/zinc/90/16/31/778901631.db2.gz HVXZVXXNVYFINA-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495552 778901640 /nfs/dbraw/zinc/90/16/40/778901640.db2.gz HVXZVXXNVYFINA-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001103495552 778901647 /nfs/dbraw/zinc/90/16/47/778901647.db2.gz HVXZVXXNVYFINA-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001103495581 778902004 /nfs/dbraw/zinc/90/20/04/778902004.db2.gz JKTVNQBGOGEIDY-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103656019 778982783 /nfs/dbraw/zinc/98/27/83/778982783.db2.gz OHLQOYNKMJZXLY-IAGOWNOFSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCC)C[C@H]2C)CC1 ZINC001103752650 779030487 /nfs/dbraw/zinc/03/04/87/779030487.db2.gz RWGNJBBRRSLRIE-SJLPKXTDSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001103773709 779038883 /nfs/dbraw/zinc/03/88/83/779038883.db2.gz NDZHVQDHKQRCKQ-QZTJIDSGSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179337247 779353826 /nfs/dbraw/zinc/35/38/26/779353826.db2.gz KUVBUDYHMPYJPT-JYJNAYRXSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1 ZINC001112404287 779761301 /nfs/dbraw/zinc/76/13/01/779761301.db2.gz RSHOKGNGZGRDPE-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCC)C1 ZINC001112404287 779761308 /nfs/dbraw/zinc/76/13/08/779761308.db2.gz RSHOKGNGZGRDPE-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112428824 779775085 /nfs/dbraw/zinc/77/50/85/779775085.db2.gz NLXQTDHUCVPEEO-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266321649 836117619 /nfs/dbraw/zinc/11/76/19/836117619.db2.gz SWPATSKMSUZRMH-LSDHHAIUSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266321649 836117623 /nfs/dbraw/zinc/11/76/23/836117623.db2.gz SWPATSKMSUZRMH-LSDHHAIUSA-N 2 1 302.422 1.610 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001266336337 836136153 /nfs/dbraw/zinc/13/61/53/836136153.db2.gz NNFNZDXFPFWRFU-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001266336337 836136160 /nfs/dbraw/zinc/13/61/60/836136160.db2.gz NNFNZDXFPFWRFU-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001266336337 836136165 /nfs/dbraw/zinc/13/61/65/836136165.db2.gz NNFNZDXFPFWRFU-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001266459360 836291172 /nfs/dbraw/zinc/29/11/72/836291172.db2.gz OSUKHIAZZQFZRJ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001266459360 836291175 /nfs/dbraw/zinc/29/11/75/836291175.db2.gz OSUKHIAZZQFZRJ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266459360 836291185 /nfs/dbraw/zinc/29/11/85/836291185.db2.gz OSUKHIAZZQFZRJ-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCC)C1 ZINC001266531914 836424814 /nfs/dbraw/zinc/42/48/14/836424814.db2.gz MQYBEEMJVKJRGN-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCC)C1 ZINC001266531914 836424820 /nfs/dbraw/zinc/42/48/20/836424820.db2.gz MQYBEEMJVKJRGN-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267531415 838259865 /nfs/dbraw/zinc/25/98/65/838259865.db2.gz RNAFBUBAEJBBNM-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267531415 838259870 /nfs/dbraw/zinc/25/98/70/838259870.db2.gz RNAFBUBAEJBBNM-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267531415 838259877 /nfs/dbraw/zinc/25/98/77/838259877.db2.gz RNAFBUBAEJBBNM-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267548696 838288139 /nfs/dbraw/zinc/28/81/39/838288139.db2.gz LGSKVJNJALAZMQ-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267548696 838288148 /nfs/dbraw/zinc/28/81/48/838288148.db2.gz LGSKVJNJALAZMQ-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267560584 838308733 /nfs/dbraw/zinc/30/87/33/838308733.db2.gz LCZSWDAGDZNLAM-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001267560584 838308742 /nfs/dbraw/zinc/30/87/42/838308742.db2.gz LCZSWDAGDZNLAM-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001267560584 838308748 /nfs/dbraw/zinc/30/87/48/838308748.db2.gz LCZSWDAGDZNLAM-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267585365 838368241 /nfs/dbraw/zinc/36/82/41/838368241.db2.gz UIJGLGJAKMWCKM-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267780106 838962947 /nfs/dbraw/zinc/96/29/47/838962947.db2.gz ZDEUCVPPFIBPBX-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC=C)CC1 ZINC001267909697 839179965 /nfs/dbraw/zinc/17/99/65/839179965.db2.gz ZBKGIIXESRKAEC-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC=C)CC1 ZINC001267909697 839179974 /nfs/dbraw/zinc/17/99/74/839179974.db2.gz ZBKGIIXESRKAEC-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccnc1 ZINC001267989047 839334906 /nfs/dbraw/zinc/33/49/06/839334906.db2.gz DYHTUFIMJIZADN-WBVHZDCISA-N 2 1 314.433 1.021 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cccnc1 ZINC001267989047 839334922 /nfs/dbraw/zinc/33/49/22/839334922.db2.gz DYHTUFIMJIZADN-WBVHZDCISA-N 2 1 314.433 1.021 20 30 DDEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001270959135 843090744 /nfs/dbraw/zinc/09/07/44/843090744.db2.gz SRWAUZDZMKMZMV-IEBWSBKVSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001272227492 844781980 /nfs/dbraw/zinc/78/19/80/844781980.db2.gz VPCZBTHOMNMEMP-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154903793 861552808 /nfs/dbraw/zinc/55/28/08/861552808.db2.gz DOAVKFRVQVSARG-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154903793 861552821 /nfs/dbraw/zinc/55/28/21/861552821.db2.gz DOAVKFRVQVSARG-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001272435016 846135810 /nfs/dbraw/zinc/13/58/10/846135810.db2.gz NEIAOCMVYLVTOS-JKSUJKDBSA-N 2 1 309.454 1.036 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272673566 846567077 /nfs/dbraw/zinc/56/70/77/846567077.db2.gz OIRIFBHQXSOQGV-IAGOWNOFSA-N 2 1 308.385 1.761 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH]c2cc[nH+]cc12 ZINC001272673566 846567086 /nfs/dbraw/zinc/56/70/86/846567086.db2.gz OIRIFBHQXSOQGV-IAGOWNOFSA-N 2 1 308.385 1.761 20 30 DDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)C1 ZINC001272976751 847730281 /nfs/dbraw/zinc/73/02/81/847730281.db2.gz HOVVNTDYIGDTIV-IAGOWNOFSA-N 2 1 323.481 1.243 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034212627 848119337 /nfs/dbraw/zinc/11/93/37/848119337.db2.gz ZGOZTBALWPGYID-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034212627 848119341 /nfs/dbraw/zinc/11/93/41/848119341.db2.gz ZGOZTBALWPGYID-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238685 848165882 /nfs/dbraw/zinc/16/58/82/848165882.db2.gz KZRVRTXEFWCMPD-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238685 848165886 /nfs/dbraw/zinc/16/58/86/848165886.db2.gz KZRVRTXEFWCMPD-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238685 848165890 /nfs/dbraw/zinc/16/58/90/848165890.db2.gz KZRVRTXEFWCMPD-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309585 848302781 /nfs/dbraw/zinc/30/27/81/848302781.db2.gz MWUVVXMUNJOKDG-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034367624 848393825 /nfs/dbraw/zinc/39/38/25/848393825.db2.gz NIEPBUJBMSGQRR-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001034367624 848393830 /nfs/dbraw/zinc/39/38/30/848393830.db2.gz NIEPBUJBMSGQRR-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001034394944 848457659 /nfs/dbraw/zinc/45/76/59/848457659.db2.gz SGONFTSOKCVTEO-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394944 848457663 /nfs/dbraw/zinc/45/76/63/848457663.db2.gz SGONFTSOKCVTEO-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150332083 862185871 /nfs/dbraw/zinc/18/58/71/862185871.db2.gz GHTBJHCYCQTEQH-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150332083 862185875 /nfs/dbraw/zinc/18/58/75/862185875.db2.gz GHTBJHCYCQTEQH-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001150332083 862185880 /nfs/dbraw/zinc/18/58/80/862185880.db2.gz GHTBJHCYCQTEQH-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH]cn2)CCO1 ZINC001280658897 851908237 /nfs/dbraw/zinc/90/82/37/851908237.db2.gz GKLLSPGVHXXSKD-ZDUSSCGKSA-N 2 1 306.410 1.080 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001275121941 852822997 /nfs/dbraw/zinc/82/29/97/852822997.db2.gz SVQOADYFQRWDAC-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275121941 852823006 /nfs/dbraw/zinc/82/30/06/852823006.db2.gz SVQOADYFQRWDAC-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001275121941 852823013 /nfs/dbraw/zinc/82/30/13/852823013.db2.gz SVQOADYFQRWDAC-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)cc(C#N)c1)C2 ZINC001275412938 853090528 /nfs/dbraw/zinc/09/05/28/853090528.db2.gz FKRUJFUWDWZMHE-AEFFLSMTSA-N 2 1 316.424 1.765 20 30 DDEDMP C#CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001275975074 854059003 /nfs/dbraw/zinc/05/90/03/854059003.db2.gz JMMDEDLTTMFBJT-FGTMMUONSA-N 2 1 315.461 1.559 20 30 DDEDMP C=CCC[NH2+]CCCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001276010810 854153707 /nfs/dbraw/zinc/15/37/07/854153707.db2.gz AEACNOQLAKGWMT-INIZCTEOSA-N 2 1 319.453 1.804 20 30 DDEDMP C=CCC[NH2+]CCCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001276010810 854153712 /nfs/dbraw/zinc/15/37/12/854153712.db2.gz AEACNOQLAKGWMT-INIZCTEOSA-N 2 1 319.453 1.804 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138238 862644129 /nfs/dbraw/zinc/64/41/29/862644129.db2.gz WBFYJIHBXUXOOP-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111233988 855203647 /nfs/dbraw/zinc/20/36/47/855203647.db2.gz ZERZCDMXVWTLQG-OAGGEKHMSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111233988 855203635 /nfs/dbraw/zinc/20/36/35/855203635.db2.gz ZERZCDMXVWTLQG-OAGGEKHMSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111233988 855203642 /nfs/dbraw/zinc/20/36/42/855203642.db2.gz ZERZCDMXVWTLQG-OAGGEKHMSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812154 857739287 /nfs/dbraw/zinc/73/92/87/857739287.db2.gz UOBWFEHLBMSUPP-INIZCTEOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC[C@H](C)F)C2 ZINC001072822539 857758883 /nfs/dbraw/zinc/75/88/83/857758883.db2.gz MHBUDKPUWDSHFQ-HOTGVXAUSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC[C@H](C)F)C2 ZINC001072822539 857758885 /nfs/dbraw/zinc/75/88/85/857758885.db2.gz MHBUDKPUWDSHFQ-HOTGVXAUSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC[C@H](C)F)C2 ZINC001072822539 857758889 /nfs/dbraw/zinc/75/88/89/857758889.db2.gz MHBUDKPUWDSHFQ-HOTGVXAUSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC[C@H](C)F)C2 ZINC001072822539 857758891 /nfs/dbraw/zinc/75/88/91/857758891.db2.gz MHBUDKPUWDSHFQ-HOTGVXAUSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001072827564 857764748 /nfs/dbraw/zinc/76/47/48/857764748.db2.gz OQHLBVPEEZAWOP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072827564 857764759 /nfs/dbraw/zinc/76/47/59/857764759.db2.gz OQHLBVPEEZAWOP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001072827564 857764764 /nfs/dbraw/zinc/76/47/64/857764764.db2.gz OQHLBVPEEZAWOP-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC=C)C3)CC1 ZINC001073459252 858355643 /nfs/dbraw/zinc/35/56/43/858355643.db2.gz UTGNFXBOMJWUQG-UHFFFAOYSA-N 2 1 301.434 1.052 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)C2)C1 ZINC001073461525 858357541 /nfs/dbraw/zinc/35/75/41/858357541.db2.gz DNVFGLMVGNVAAQ-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599620 858473315 /nfs/dbraw/zinc/47/33/15/858473315.db2.gz JKSYAQZBUSMLPW-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599620 858473317 /nfs/dbraw/zinc/47/33/17/858473317.db2.gz JKSYAQZBUSMLPW-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001073599620 858473318 /nfs/dbraw/zinc/47/33/18/858473318.db2.gz JKSYAQZBUSMLPW-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158036280 864375444 /nfs/dbraw/zinc/37/54/44/864375444.db2.gz BHYXUZZLIJMRBS-JKSUJKDBSA-N 2 1 309.454 1.159 20 30 DDEDMP CC#CC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331291519 864992100 /nfs/dbraw/zinc/99/21/00/864992100.db2.gz ZUHKCZNUULBHRX-MRXNPFEDSA-N 2 1 319.424 1.441 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCCn3ccnc3C)CCC[C@H]12 ZINC001332109718 865582845 /nfs/dbraw/zinc/58/28/45/865582845.db2.gz HBAWQUCFBBEPGL-WMZOPIPTSA-N 2 1 314.433 1.718 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@H]12 ZINC001332109718 865582866 /nfs/dbraw/zinc/58/28/66/865582866.db2.gz HBAWQUCFBBEPGL-WMZOPIPTSA-N 2 1 314.433 1.718 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001160131793 865689173 /nfs/dbraw/zinc/68/91/73/865689173.db2.gz VTEPIVHDSOURFV-ZWKOTPCHSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131793 865689177 /nfs/dbraw/zinc/68/91/77/865689177.db2.gz VTEPIVHDSOURFV-ZWKOTPCHSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001160131793 865689181 /nfs/dbraw/zinc/68/91/81/865689181.db2.gz VTEPIVHDSOURFV-ZWKOTPCHSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC(=C)C)CC1 ZINC001160385929 865807759 /nfs/dbraw/zinc/80/77/59/865807759.db2.gz CNHSGLKHSMAUJC-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160385929 865807764 /nfs/dbraw/zinc/80/77/64/865807764.db2.gz CNHSGLKHSMAUJC-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(=C)C)CC1 ZINC001160385929 865807769 /nfs/dbraw/zinc/80/77/69/865807769.db2.gz CNHSGLKHSMAUJC-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC(=C)C)CC1 ZINC001160385929 865807776 /nfs/dbraw/zinc/80/77/76/865807776.db2.gz CNHSGLKHSMAUJC-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CCN(C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001332710910 866086479 /nfs/dbraw/zinc/08/64/79/866086479.db2.gz MWCOLOUPVRIFNX-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001332710910 866086496 /nfs/dbraw/zinc/08/64/96/866086496.db2.gz MWCOLOUPVRIFNX-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001332710910 866086512 /nfs/dbraw/zinc/08/65/12/866086512.db2.gz MWCOLOUPVRIFNX-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)C ZINC001332710910 866086528 /nfs/dbraw/zinc/08/65/28/866086528.db2.gz MWCOLOUPVRIFNX-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C(C)C ZINC001332710910 866086544 /nfs/dbraw/zinc/08/65/44/866086544.db2.gz MWCOLOUPVRIFNX-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001324463263 867291776 /nfs/dbraw/zinc/29/17/76/867291776.db2.gz BUXSUPVXKIGCHY-JKSUJKDBSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001324463263 867291794 /nfs/dbraw/zinc/29/17/94/867291794.db2.gz BUXSUPVXKIGCHY-JKSUJKDBSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCOCC[NH2+]C[C@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001324757347 867503394 /nfs/dbraw/zinc/50/33/94/867503394.db2.gz IWHNSJYYORBLFP-KRWDZBQOSA-N 2 1 320.437 1.222 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001321392264 867555226 /nfs/dbraw/zinc/55/52/26/867555226.db2.gz MARRCWDEZYGVQS-KYVUIXNKSA-N 2 1 312.417 1.272 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001325055755 867726812 /nfs/dbraw/zinc/72/68/12/867726812.db2.gz VFSSGZPVNVBFHO-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001325055755 867726822 /nfs/dbraw/zinc/72/68/22/867726822.db2.gz VFSSGZPVNVBFHO-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001325055755 867726829 /nfs/dbraw/zinc/72/68/29/867726829.db2.gz VFSSGZPVNVBFHO-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001322182383 868031329 /nfs/dbraw/zinc/03/13/29/868031329.db2.gz FLFMCLSAPFSPDJ-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C[C@H]1CC[N@@H+](CCNCCC(=O)Nc2cccc(C#N)c2)C1 ZINC001335445560 868303689 /nfs/dbraw/zinc/30/36/89/868303689.db2.gz TVABCKPHMGNQRJ-AWEZNQCLSA-N 2 1 300.406 1.818 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001322694305 868330508 /nfs/dbraw/zinc/33/05/08/868330508.db2.gz PCXILTKUBWAMML-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1c1ccc(N(C)S(=O)(=O)CC[NH3+])cc1 ZINC001164300130 869100672 /nfs/dbraw/zinc/10/06/72/869100672.db2.gz HSSPRDOHHPJWAR-INIZCTEOSA-N 2 1 323.462 1.734 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270151 869481939 /nfs/dbraw/zinc/48/19/39/869481939.db2.gz CXRHYMTWBJXTSI-ZDUSSCGKSA-N 2 1 310.829 1.602 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC2)CC1 ZINC001165545260 869636815 /nfs/dbraw/zinc/63/68/15/869636815.db2.gz JBQHYSOTKUENOM-INIZCTEOSA-N 2 1 303.450 1.370 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CC2)CC1 ZINC001165545260 869636823 /nfs/dbraw/zinc/63/68/23/869636823.db2.gz JBQHYSOTKUENOM-INIZCTEOSA-N 2 1 303.450 1.370 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166708398 870180978 /nfs/dbraw/zinc/18/09/78/870180978.db2.gz PUVOUYWGEHWBBK-CMPLNLGQSA-N 2 1 318.259 1.189 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001317123795 870297304 /nfs/dbraw/zinc/29/73/04/870297304.db2.gz WFLLNAXXWKLOMM-GASCZTMLSA-N 2 1 311.389 1.694 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317190708 870443855 /nfs/dbraw/zinc/44/38/55/870443855.db2.gz QPQUHWHHZAYNSY-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001317321918 870637925 /nfs/dbraw/zinc/63/79/25/870637925.db2.gz KUMMFKULUDSGPI-HZPDHXFCSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316669600 870953943 /nfs/dbraw/zinc/95/39/43/870953943.db2.gz OWKOZZDFVCYZOD-INIZCTEOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001317810894 871537339 /nfs/dbraw/zinc/53/73/39/871537339.db2.gz GXRPTUGJOYXXOZ-QGZVFWFLSA-N 2 1 305.466 1.714 20 30 DDEDMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317841483 871581132 /nfs/dbraw/zinc/58/11/32/871581132.db2.gz CZCQJQURUBDFNM-AWEZNQCLSA-N 2 1 320.437 1.706 20 30 DDEDMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317841483 871581143 /nfs/dbraw/zinc/58/11/43/871581143.db2.gz CZCQJQURUBDFNM-AWEZNQCLSA-N 2 1 320.437 1.706 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594373 871648662 /nfs/dbraw/zinc/64/86/62/871648662.db2.gz QMVWHNJCWQKSSH-QGZVFWFLSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001318260570 871890495 /nfs/dbraw/zinc/89/04/95/871890495.db2.gz LHNQMHSPZJPBHZ-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001318260570 871890512 /nfs/dbraw/zinc/89/05/12/871890512.db2.gz LHNQMHSPZJPBHZ-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001318260570 871890529 /nfs/dbraw/zinc/89/05/29/871890529.db2.gz LHNQMHSPZJPBHZ-HNNXBMFYSA-N 2 1 305.466 1.853 20 30 DDEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001318282110 871904965 /nfs/dbraw/zinc/90/49/65/871904965.db2.gz RQTNPHMYHINFRA-ROUUACIJSA-N 2 1 313.445 1.569 20 30 DDEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001318282110 871904975 /nfs/dbraw/zinc/90/49/75/871904975.db2.gz RQTNPHMYHINFRA-ROUUACIJSA-N 2 1 313.445 1.569 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC001343353520 872593112 /nfs/dbraw/zinc/59/31/12/872593112.db2.gz FWMCPDDNTYUYHA-KRWDZBQOSA-N 2 1 315.417 1.171 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC/C=C\CC ZINC001319471497 872649915 /nfs/dbraw/zinc/64/99/15/872649915.db2.gz CWYVRNQEZGHDQZ-ZMJQMOPZSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC/C=C\CC ZINC001319471497 872649923 /nfs/dbraw/zinc/64/99/23/872649923.db2.gz CWYVRNQEZGHDQZ-ZMJQMOPZSA-N 2 1 305.466 1.877 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206872403 872676432 /nfs/dbraw/zinc/67/64/32/872676432.db2.gz CBCASWURJHBWTM-HNNXBMFYSA-N 2 1 313.873 1.909 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001206953592 872839112 /nfs/dbraw/zinc/83/91/12/872839112.db2.gz UVVNSCRKVRHZSA-SFHVURJKSA-N 2 1 313.445 1.751 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001208279243 873955420 /nfs/dbraw/zinc/95/54/20/873955420.db2.gz LIFWCIFUPKBUFW-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001208356552 874053657 /nfs/dbraw/zinc/05/36/57/874053657.db2.gz UMXMGVVANIHACS-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001208356552 874053672 /nfs/dbraw/zinc/05/36/72/874053672.db2.gz UMXMGVVANIHACS-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209277968 874773936 /nfs/dbraw/zinc/77/39/36/874773936.db2.gz MIUHIXPFBXDJHF-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209643707 875033443 /nfs/dbraw/zinc/03/34/43/875033443.db2.gz VSGBEGHLCRAKEH-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213974096 876117520 /nfs/dbraw/zinc/11/75/20/876117520.db2.gz ICBWKSWQAQZTGE-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001214852630 876482655 /nfs/dbraw/zinc/48/26/55/876482655.db2.gz FFMDPPQABIAYDP-IXDOHACOSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001215973013 876831969 /nfs/dbraw/zinc/83/19/69/876831969.db2.gz LBAUKIIFKVCNMZ-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001353517422 877394183 /nfs/dbraw/zinc/39/41/83/877394183.db2.gz GHKJDVBBAUESOY-YVSFHVDLSA-N 2 1 323.481 1.770 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001353517422 877394197 /nfs/dbraw/zinc/39/41/97/877394197.db2.gz GHKJDVBBAUESOY-YVSFHVDLSA-N 2 1 323.481 1.770 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624657 877618172 /nfs/dbraw/zinc/61/81/72/877618172.db2.gz VUVGILDGPMLBOQ-YESZJQIVSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624657 877618179 /nfs/dbraw/zinc/61/81/79/877618179.db2.gz VUVGILDGPMLBOQ-YESZJQIVSA-N 2 1 321.465 1.042 20 30 DDEDMP Cc1[nH+]c(N)ccc1CNC(=O)[C@@H]([NH3+])Cc1cccc(C#N)c1 ZINC001220069679 878688054 /nfs/dbraw/zinc/68/80/54/878688054.db2.gz IJQNKVFAICKBGS-HNNXBMFYSA-N 2 1 309.373 1.030 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095661 879493700 /nfs/dbraw/zinc/49/37/00/879493700.db2.gz HHNKUISDPNZOJI-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787294 880081316 /nfs/dbraw/zinc/08/13/16/880081316.db2.gz NVZYGEGLQFRXGC-IAGOWNOFSA-N 2 1 321.465 1.064 20 30 DDEDMP N#Cc1c(Cl)cccc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222091317 880237881 /nfs/dbraw/zinc/23/78/81/880237881.db2.gz QDYWTANLZSNPOT-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP COc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)ccc1C#N ZINC001222511213 880527215 /nfs/dbraw/zinc/52/72/15/880527215.db2.gz UCWGCPKBTLGIRC-HOTGVXAUSA-N 2 1 300.406 1.093 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799898 880703625 /nfs/dbraw/zinc/70/36/25/880703625.db2.gz RDADODRGHUVTQJ-PMPSAXMXSA-N 2 1 309.429 1.222 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001276887201 880947514 /nfs/dbraw/zinc/94/75/14/880947514.db2.gz YKYFLWPBDWFZNJ-UHFFFAOYSA-N 2 1 317.477 1.810 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001276933075 881158115 /nfs/dbraw/zinc/15/81/15/881158115.db2.gz VIWFXVQJZHXARY-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001276933075 881158116 /nfs/dbraw/zinc/15/81/16/881158116.db2.gz VIWFXVQJZHXARY-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001276933075 881158121 /nfs/dbraw/zinc/15/81/21/881158121.db2.gz VIWFXVQJZHXARY-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001276933075 881158124 /nfs/dbraw/zinc/15/81/24/881158124.db2.gz VIWFXVQJZHXARY-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229523241 884028976 /nfs/dbraw/zinc/02/89/76/884028976.db2.gz DVPSQFRZEXJTMY-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001277448360 884366024 /nfs/dbraw/zinc/36/60/24/884366024.db2.gz ZQZLHUFNLIYRNQ-HZPDHXFCSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592245 884628380 /nfs/dbraw/zinc/62/83/80/884628380.db2.gz VXYCUHWWLDRITF-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001230598138 884635725 /nfs/dbraw/zinc/63/57/25/884635725.db2.gz GGVURCXHAIVGJS-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001277502051 885449872 /nfs/dbraw/zinc/44/98/72/885449872.db2.gz ZLOFHHZHBMEDBU-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001277502051 885449885 /nfs/dbraw/zinc/44/98/85/885449885.db2.gz ZLOFHHZHBMEDBU-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001277502051 885449894 /nfs/dbraw/zinc/44/98/94/885449894.db2.gz ZLOFHHZHBMEDBU-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C[N@H+]1CCC[C@H](CN2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146730 889848873 /nfs/dbraw/zinc/84/88/73/889848873.db2.gz GVMLYSOJJLOVRP-LSDHHAIUSA-N 2 1 316.449 1.213 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146730 889848889 /nfs/dbraw/zinc/84/88/89/889848889.db2.gz GVMLYSOJJLOVRP-LSDHHAIUSA-N 2 1 316.449 1.213 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)C1 ZINC001278146730 889848905 /nfs/dbraw/zinc/84/89/05/889848905.db2.gz GVMLYSOJJLOVRP-LSDHHAIUSA-N 2 1 316.449 1.213 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C2 ZINC001246156340 892451524 /nfs/dbraw/zinc/45/15/24/892451524.db2.gz JMXGTJFXHZROKS-BMFZPTHFSA-N 2 1 301.434 1.622 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)CC2)cc1 ZINC001246855049 892939118 /nfs/dbraw/zinc/93/91/18/892939118.db2.gz SEWXYYCQILJNNG-LPHOPBHVSA-N 2 1 324.428 1.586 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278572379 894299170 /nfs/dbraw/zinc/29/91/70/894299170.db2.gz QIHYSOFZPMOKHK-KBPBESRZSA-N 2 1 318.421 1.248 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC001278650713 895035854 /nfs/dbraw/zinc/03/58/54/895035854.db2.gz HYMNNUJNPUNMPM-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001278681914 895442080 /nfs/dbraw/zinc/44/20/80/895442080.db2.gz NXOIKCOXMLDGBU-KRWDZBQOSA-N 2 1 320.437 1.373 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001278681914 895442087 /nfs/dbraw/zinc/44/20/87/895442087.db2.gz NXOIKCOXMLDGBU-KRWDZBQOSA-N 2 1 320.437 1.373 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001278800317 896541318 /nfs/dbraw/zinc/54/13/18/896541318.db2.gz MGUMETYLPLFSLH-XYJFISCASA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278800317 896541334 /nfs/dbraw/zinc/54/13/34/896541334.db2.gz MGUMETYLPLFSLH-XYJFISCASA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001278800317 896541348 /nfs/dbraw/zinc/54/13/48/896541348.db2.gz MGUMETYLPLFSLH-XYJFISCASA-N 2 1 323.481 1.236 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001374872137 914193333 /nfs/dbraw/zinc/19/33/33/914193333.db2.gz FRBJJNMOKFMCSI-LRDDRELGSA-N 2 1 318.396 1.386 20 30 DDEDMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001264043675 900889345 /nfs/dbraw/zinc/88/93/45/900889345.db2.gz XQXQZBODAGSJQX-IRXDYDNUSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001264492647 901146956 /nfs/dbraw/zinc/14/69/56/901146956.db2.gz YMSFAXUMXNEKQF-BBWFWOEESA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265319645 901881297 /nfs/dbraw/zinc/88/12/97/901881297.db2.gz OZIPJGPWWUTKCX-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265319645 901881306 /nfs/dbraw/zinc/88/13/06/901881306.db2.gz OZIPJGPWWUTKCX-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266119797 902977921 /nfs/dbraw/zinc/97/79/21/902977921.db2.gz MSJMCRXBOWBPDV-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001284100135 908473510 /nfs/dbraw/zinc/47/35/10/908473510.db2.gz DIHKMANJLGTZTO-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001284725691 909401489 /nfs/dbraw/zinc/40/14/89/909401489.db2.gz CAMJQMHWLLNOLT-CABCVRRESA-N 2 1 316.449 1.828 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001373304836 909466902 /nfs/dbraw/zinc/46/69/02/909466902.db2.gz SGVKDEOWHKGNFX-ZIAGYGMSSA-N 2 1 301.862 1.859 20 30 DDEDMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001394551558 909972517 /nfs/dbraw/zinc/97/25/17/909972517.db2.gz GPPJECQTNXQODG-YOEHRIQHSA-N 2 1 314.433 1.446 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@H]1O ZINC000341912139 529823128 /nfs/dbraw/zinc/82/31/28/529823128.db2.gz VQLARQDPQBZZPB-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000341912139 529823129 /nfs/dbraw/zinc/82/31/29/529823129.db2.gz VQLARQDPQBZZPB-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP C[NH+](CC#CC[N@@H+](C)C[C@@H]1CCC[C@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000341912139 529823131 /nfs/dbraw/zinc/82/31/31/529823131.db2.gz VQLARQDPQBZZPB-XLAORIBOSA-N 2 1 308.466 1.175 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000367508679 282396418 /nfs/dbraw/zinc/39/64/18/282396418.db2.gz BAWDHUQLWXMAKQ-OAGGEKHMSA-N 2 1 304.438 1.165 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367508679 282396419 /nfs/dbraw/zinc/39/64/19/282396419.db2.gz BAWDHUQLWXMAKQ-OAGGEKHMSA-N 2 1 304.438 1.165 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000367508679 282396420 /nfs/dbraw/zinc/39/64/20/282396420.db2.gz BAWDHUQLWXMAKQ-OAGGEKHMSA-N 2 1 304.438 1.165 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1CCOc2ccccc21 ZINC000073806571 353272416 /nfs/dbraw/zinc/27/24/16/353272416.db2.gz JGJRLJNWKCFCAL-HNNXBMFYSA-N 2 1 318.421 1.137 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)N(C)C)CC2)CC1 ZINC000181775981 354270311 /nfs/dbraw/zinc/27/03/11/354270311.db2.gz BBTHSPTXODNSHL-UHFFFAOYSA-N 2 1 308.470 1.763 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000594438577 356214719 /nfs/dbraw/zinc/21/47/19/356214719.db2.gz OLRSHHLORAPPTL-INIZCTEOSA-N 2 1 306.454 1.875 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000594444263 356218285 /nfs/dbraw/zinc/21/82/85/356218285.db2.gz NMKAZSAXBHCYDQ-CVEARBPZSA-N 2 1 318.396 1.710 20 30 DDEDMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598609577 357652058 /nfs/dbraw/zinc/65/20/58/357652058.db2.gz AOKNZVXUUUCPSD-CQSZACIVSA-N 2 1 318.421 1.513 20 30 DDEDMP C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000599416162 357927124 /nfs/dbraw/zinc/92/71/24/357927124.db2.gz DIQQBNYWCOUWBG-FCLJQHQZSA-N 2 1 321.465 1.615 20 30 DDEDMP C[NH+](C[C@H](O)CC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000599416162 357927126 /nfs/dbraw/zinc/92/71/26/357927126.db2.gz DIQQBNYWCOUWBG-FCLJQHQZSA-N 2 1 321.465 1.615 20 30 DDEDMP C[NH+](C[C@H](O)CC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000599416162 357927128 /nfs/dbraw/zinc/92/71/28/357927128.db2.gz DIQQBNYWCOUWBG-FCLJQHQZSA-N 2 1 321.465 1.615 20 30 DDEDMP N#C[C@@H](c1ccccc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000603221915 359494417 /nfs/dbraw/zinc/49/44/17/359494417.db2.gz PQBHXIYVXXDYFG-KRWDZBQOSA-N 2 1 310.405 1.357 20 30 DDEDMP COCCN(C)C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727983 422823865 /nfs/dbraw/zinc/82/38/65/422823865.db2.gz DFOYIZDTRBHHJC-SFHVURJKSA-N 2 1 317.433 1.462 20 30 DDEDMP COCCN(C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727983 422823862 /nfs/dbraw/zinc/82/38/62/422823862.db2.gz DFOYIZDTRBHHJC-SFHVURJKSA-N 2 1 317.433 1.462 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000116396708 407751733 /nfs/dbraw/zinc/75/17/33/407751733.db2.gz WNQPEUZUOKGRDO-QWHCGFSZSA-N 2 1 312.458 1.343 20 30 DDEDMP C[NH+]=C(NC[C@H]1CCC[N@@H+]1CCOC)N1CCc2ccccc21 ZINC000263275337 408084905 /nfs/dbraw/zinc/08/49/05/408084905.db2.gz YEQRIHUGWSJMGZ-MRXNPFEDSA-N 2 1 316.449 1.735 20 30 DDEDMP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285184771 409402798 /nfs/dbraw/zinc/40/27/98/409402798.db2.gz UZTUYFPAIWDLDZ-VNHYZAJKSA-N 2 1 306.458 1.506 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000305857852 409768922 /nfs/dbraw/zinc/76/89/22/409768922.db2.gz XAUPIQHHRRNLCH-WFFDWFOESA-N 2 1 307.482 1.556 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC000350918674 410013259 /nfs/dbraw/zinc/01/32/59/410013259.db2.gz MZUNMGFROQDLMH-IAGOWNOFSA-N 2 1 323.481 1.522 20 30 DDEDMP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C(N)=O ZINC000329025027 410057654 /nfs/dbraw/zinc/05/76/54/410057654.db2.gz JGNVPERGORMTSW-BXUZGUMPSA-N 2 1 308.426 1.673 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075673 418486809 /nfs/dbraw/zinc/48/68/09/418486809.db2.gz VXGCYLMGIQBFDV-HNNXBMFYSA-N 2 1 306.454 1.555 20 30 DDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1cccc(F)c1 ZINC000262786368 222294845 /nfs/dbraw/zinc/29/48/45/222294845.db2.gz MPFXZLIWFSYJTF-INIZCTEOSA-N 2 1 321.444 1.079 20 30 DDEDMP C[N@@H+]1CC=C(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000263156831 222305289 /nfs/dbraw/zinc/30/52/89/222305289.db2.gz NISLVKQBIGUCBL-OAHLLOKOSA-N 2 1 300.406 1.676 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000264073599 222314201 /nfs/dbraw/zinc/31/42/01/222314201.db2.gz DWYYFWHZMHTUSW-LBPRGKRZSA-N 2 1 318.421 1.915 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)cc1OC ZINC000264088771 222315439 /nfs/dbraw/zinc/31/54/39/222315439.db2.gz KLGQGGZXJDRPDP-AWEZNQCLSA-N 2 1 320.437 1.592 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)cc1OC ZINC000264088782 222316017 /nfs/dbraw/zinc/31/60/17/222316017.db2.gz KLGQGGZXJDRPDP-CQSZACIVSA-N 2 1 320.437 1.592 20 30 DDEDMP CCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264108534 222319244 /nfs/dbraw/zinc/31/92/44/222319244.db2.gz QDGHBSXVYQPASP-AWEZNQCLSA-N 2 1 304.438 1.722 20 30 DDEDMP CCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264108534 222319247 /nfs/dbraw/zinc/31/92/47/222319247.db2.gz QDGHBSXVYQPASP-AWEZNQCLSA-N 2 1 304.438 1.722 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1 ZINC000267467575 222386904 /nfs/dbraw/zinc/38/69/04/222386904.db2.gz WVGLAKJJLJZVQQ-HUUCEWRRSA-N 2 1 304.438 1.843 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000369027961 418728430 /nfs/dbraw/zinc/72/84/30/418728430.db2.gz SCSXHNAOYUKIOR-QGZVFWFLSA-N 2 1 315.465 1.665 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000362026714 418740890 /nfs/dbraw/zinc/74/08/90/418740890.db2.gz XAJWFQAUCZJCRW-NVXWUHKLSA-N 2 1 320.481 1.763 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000372626528 418888878 /nfs/dbraw/zinc/88/88/78/418888878.db2.gz JMRLUPOEARXXNB-MSOLQXFVSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000491119714 421194898 /nfs/dbraw/zinc/19/48/98/421194898.db2.gz JLHVJTQCZIDRSB-CABCVRRESA-N 2 1 309.454 1.977 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000491119714 421194900 /nfs/dbraw/zinc/19/49/00/421194900.db2.gz JLHVJTQCZIDRSB-CABCVRRESA-N 2 1 309.454 1.977 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccccc2C#N)CC[N@@H+]1C ZINC000528397762 421485996 /nfs/dbraw/zinc/48/59/96/421485996.db2.gz RTIQEKCIHNMAQG-PVAVHDDUSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccccc2C#N)CC[N@H+]1C ZINC000528397762 421485998 /nfs/dbraw/zinc/48/59/98/421485998.db2.gz RTIQEKCIHNMAQG-PVAVHDDUSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2C#N)CC[NH+]1C ZINC000528397762 421486001 /nfs/dbraw/zinc/48/60/01/421486001.db2.gz RTIQEKCIHNMAQG-PVAVHDDUSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2C#N)CC[NH+]1C ZINC000528397762 421486006 /nfs/dbraw/zinc/48/60/06/421486006.db2.gz RTIQEKCIHNMAQG-PVAVHDDUSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262021411 297356420 /nfs/dbraw/zinc/35/64/20/297356420.db2.gz YWDXRZDNUFAERK-QLFBSQMISA-N 2 1 310.486 1.826 20 30 DDEDMP C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000521032484 333327648 /nfs/dbraw/zinc/32/76/48/333327648.db2.gz RGLKPSBDYUEMSY-BQFCYCMXSA-N 2 1 322.497 1.435 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000130587499 341029418 /nfs/dbraw/zinc/02/94/18/341029418.db2.gz UHOLCLIWXFRUKU-UHFFFAOYSA-N 2 1 302.422 1.385 20 30 DDEDMP C=CC[C@H]1CCC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C1 ZINC000656478118 484158242 /nfs/dbraw/zinc/15/82/42/484158242.db2.gz NSFWIUATLQNMKZ-GJZGRUSLSA-N 2 1 307.438 1.354 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000491524818 526922486 /nfs/dbraw/zinc/92/24/86/526922486.db2.gz OAHNCPBHIBRLQV-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP CCOC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000341882296 529029111 /nfs/dbraw/zinc/02/91/11/529029111.db2.gz KQJWSHYOTLWRCA-ROUUACIJSA-N 2 1 308.466 1.707 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972552257 695280192 /nfs/dbraw/zinc/28/01/92/695280192.db2.gz MDVVZIHIMLYDNI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972552257 695280195 /nfs/dbraw/zinc/28/01/95/695280195.db2.gz MDVVZIHIMLYDNI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972552257 695280197 /nfs/dbraw/zinc/28/01/97/695280197.db2.gz MDVVZIHIMLYDNI-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553107 695280681 /nfs/dbraw/zinc/28/06/81/695280681.db2.gz ZCOVOLHHEORCKJ-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC000972553107 695280683 /nfs/dbraw/zinc/28/06/83/695280683.db2.gz ZCOVOLHHEORCKJ-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553107 695280685 /nfs/dbraw/zinc/28/06/85/695280685.db2.gz ZCOVOLHHEORCKJ-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC000972553107 695280686 /nfs/dbraw/zinc/28/06/86/695280686.db2.gz ZCOVOLHHEORCKJ-FUHWJXTLSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974942155 695763342 /nfs/dbraw/zinc/76/33/42/695763342.db2.gz CFIJULXIBVXFOR-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974942155 695763345 /nfs/dbraw/zinc/76/33/45/695763345.db2.gz CFIJULXIBVXFOR-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974942155 695763346 /nfs/dbraw/zinc/76/33/46/695763346.db2.gz CFIJULXIBVXFOR-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981811897 696926362 /nfs/dbraw/zinc/92/63/62/696926362.db2.gz AKNIGIWYLVSKLR-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)COC3CC[NH+](C)CC3)C2)C1 ZINC000982090584 697027281 /nfs/dbraw/zinc/02/72/81/697027281.db2.gz CAIXBKGTNOCWIY-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000981421806 697093171 /nfs/dbraw/zinc/09/31/71/697093171.db2.gz MRLZSOFDIAZUSM-JKSUJKDBSA-N 2 1 323.400 1.531 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179109002 697433996 /nfs/dbraw/zinc/43/39/96/697433996.db2.gz PZYYPPFODGDAKG-UONOGXRCSA-N 2 1 324.469 1.177 20 30 DDEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000985701327 697558746 /nfs/dbraw/zinc/55/87/46/697558746.db2.gz JRKAYJDCRDTLOZ-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000985701327 697558747 /nfs/dbraw/zinc/55/87/47/697558747.db2.gz JRKAYJDCRDTLOZ-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989192963 698553495 /nfs/dbraw/zinc/55/34/95/698553495.db2.gz HLTJXJBORKOZSN-HUUCEWRRSA-N 2 1 316.449 1.917 20 30 DDEDMP C[C@@H](CNC(=[NH2+])NCCc1cccs1)CN1CC[NH+](C)CC1 ZINC000303878164 698608364 /nfs/dbraw/zinc/60/83/64/698608364.db2.gz JAUSTRAKNJJCJE-AWEZNQCLSA-N 2 1 323.510 1.078 20 30 DDEDMP CC[C@@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303899960 698610503 /nfs/dbraw/zinc/61/05/03/698610503.db2.gz RXFSKCJCGRPYRU-KRWDZBQOSA-N 2 1 316.449 1.470 20 30 DDEDMP CC[C@@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000303899960 698610505 /nfs/dbraw/zinc/61/05/05/698610505.db2.gz RXFSKCJCGRPYRU-KRWDZBQOSA-N 2 1 316.449 1.470 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000303902426 698610538 /nfs/dbraw/zinc/61/05/38/698610538.db2.gz TZJSGVRLMLVZMP-SJORKVTESA-N 3 1 323.529 1.886 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C1CCCCC1)N(C)C ZINC000303902426 698610539 /nfs/dbraw/zinc/61/05/39/698610539.db2.gz TZJSGVRLMLVZMP-SJORKVTESA-N 2 1 323.529 1.886 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C1CCCCC1)N(C)C ZINC000303902426 698610540 /nfs/dbraw/zinc/61/05/40/698610540.db2.gz TZJSGVRLMLVZMP-SJORKVTESA-N 2 1 323.529 1.886 20 30 DDEDMP CC[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303908570 698611144 /nfs/dbraw/zinc/61/11/44/698611144.db2.gz XQCOXORQBQVKKM-CYBMUJFWSA-N 2 1 318.421 1.916 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(F)c1 ZINC000304805905 698625854 /nfs/dbraw/zinc/62/58/54/698625854.db2.gz RQJJHYZJORBMMB-DZGCQCFKSA-N 2 1 322.428 1.982 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989452435 698627512 /nfs/dbraw/zinc/62/75/12/698627512.db2.gz ZFSKGWMLGMDAJZ-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC000989452435 698627514 /nfs/dbraw/zinc/62/75/14/698627514.db2.gz ZFSKGWMLGMDAJZ-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000305061231 698629563 /nfs/dbraw/zinc/62/95/63/698629563.db2.gz GFTJGSAOBDOZIC-RBSFLKMASA-N 2 1 310.486 1.969 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000989730462 698743203 /nfs/dbraw/zinc/74/32/03/698743203.db2.gz YQAZSZWBWMCFKG-UHFFFAOYSA-N 2 1 313.445 1.919 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC000991857737 699425204 /nfs/dbraw/zinc/42/52/04/699425204.db2.gz FBEJDDVHDZWJTJ-AEFFLSMTSA-N 2 1 308.385 1.694 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccccc1C[NH2+]C ZINC000846166833 703245576 /nfs/dbraw/zinc/24/55/76/703245576.db2.gz DHJJZZVZVWNYSG-UHFFFAOYSA-N 2 1 302.422 1.160 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000854736866 704446069 /nfs/dbraw/zinc/44/60/69/704446069.db2.gz IKKOVFYYOHQRPQ-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C#Cc1cccs1 ZINC000855346147 704479888 /nfs/dbraw/zinc/47/98/88/704479888.db2.gz PFJYQRGNCXOLSR-AWEZNQCLSA-N 2 1 307.463 1.488 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C#Cc1cccs1 ZINC000855346147 704479889 /nfs/dbraw/zinc/47/98/89/704479889.db2.gz PFJYQRGNCXOLSR-AWEZNQCLSA-N 2 1 307.463 1.488 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000880614181 707041838 /nfs/dbraw/zinc/04/18/38/707041838.db2.gz RMYQQQAFGSYTCN-MRXNPFEDSA-N 2 1 305.466 1.520 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H]1C ZINC000884225839 708199200 /nfs/dbraw/zinc/19/92/00/708199200.db2.gz DVLITHRZWIZXKH-CLEAANHHSA-N 2 1 318.465 1.457 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886288783 708736049 /nfs/dbraw/zinc/73/60/49/708736049.db2.gz HFBHGEWTESGPEN-CVEARBPZSA-N 2 1 309.454 1.474 20 30 DDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCO1 ZINC000886288783 708736051 /nfs/dbraw/zinc/73/60/51/708736051.db2.gz HFBHGEWTESGPEN-CVEARBPZSA-N 2 1 309.454 1.474 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894228631 711025102 /nfs/dbraw/zinc/02/51/02/711025102.db2.gz GZYONDKCANWEAQ-CHWSQXEVSA-N 2 1 302.365 1.671 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000914072843 713338259 /nfs/dbraw/zinc/33/82/59/713338259.db2.gz YUOVMNKBPIGLHX-JKSUJKDBSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000963837634 717921623 /nfs/dbraw/zinc/92/16/23/717921623.db2.gz JBYLMPDFLAAFKT-JUVOFCAFSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCN(C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000921384308 713751746 /nfs/dbraw/zinc/75/17/46/713751746.db2.gz MNGNBIBKIZZASA-GJZGRUSLSA-N 2 1 318.465 1.351 20 30 DDEDMP C#Cc1ccc(NC(=O)CC[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1 ZINC000931443231 714099937 /nfs/dbraw/zinc/09/99/37/714099937.db2.gz UMSDCAGEEJGMAG-SJORKVTESA-N 2 1 311.429 1.880 20 30 DDEDMP C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC000931443231 714099941 /nfs/dbraw/zinc/09/99/41/714099941.db2.gz UMSDCAGEEJGMAG-SJORKVTESA-N 2 1 311.429 1.880 20 30 DDEDMP C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cc1 ZINC000931443231 714099943 /nfs/dbraw/zinc/09/99/43/714099943.db2.gz UMSDCAGEEJGMAG-SJORKVTESA-N 2 1 311.429 1.880 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC000963934574 717950710 /nfs/dbraw/zinc/95/07/10/717950710.db2.gz ZTGHIDAHSYFSOL-KZIPQDEESA-N 2 1 317.477 1.615 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000960279971 716478445 /nfs/dbraw/zinc/47/84/45/716478445.db2.gz CYVQIUHKZSAAIG-QZTJIDSGSA-N 2 1 323.440 1.620 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961609603 717028166 /nfs/dbraw/zinc/02/81/66/717028166.db2.gz SKTOGIMPSKOIKH-QMCVQRASSA-N 2 1 314.433 1.376 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961609603 717028171 /nfs/dbraw/zinc/02/81/71/717028171.db2.gz SKTOGIMPSKOIKH-QMCVQRASSA-N 2 1 314.433 1.376 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027628 717079608 /nfs/dbraw/zinc/07/96/08/717079608.db2.gz WWZJZXJFHPATPD-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027628 717079615 /nfs/dbraw/zinc/07/96/15/717079615.db2.gz WWZJZXJFHPATPD-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941027628 717079619 /nfs/dbraw/zinc/07/96/19/717079619.db2.gz WWZJZXJFHPATPD-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000964438060 717264808 /nfs/dbraw/zinc/26/48/08/717264808.db2.gz ROWGEOXACJYDCZ-JCYILVPMSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962765968 717579587 /nfs/dbraw/zinc/57/95/87/717579587.db2.gz RRSMGACVSRJMCI-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000962765968 717579578 /nfs/dbraw/zinc/57/95/78/717579578.db2.gz RRSMGACVSRJMCI-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC000962765968 717579583 /nfs/dbraw/zinc/57/95/83/717579583.db2.gz RRSMGACVSRJMCI-TWMKSMIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000963313254 717737750 /nfs/dbraw/zinc/73/77/50/717737750.db2.gz FSSRLICQOIVFQG-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963313254 717737753 /nfs/dbraw/zinc/73/77/53/717737753.db2.gz FSSRLICQOIVFQG-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000963313254 717737756 /nfs/dbraw/zinc/73/77/56/717737756.db2.gz FSSRLICQOIVFQG-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942823153 717878894 /nfs/dbraw/zinc/87/88/94/717878894.db2.gz RUDLVPKSDYLFFC-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942823153 717878896 /nfs/dbraw/zinc/87/88/96/717878896.db2.gz RUDLVPKSDYLFFC-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000942823153 717878898 /nfs/dbraw/zinc/87/88/98/717878898.db2.gz RUDLVPKSDYLFFC-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944046138 718247387 /nfs/dbraw/zinc/24/73/87/718247387.db2.gz HABJOOGJTRVVKO-QAPCUYQASA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944170045 718265141 /nfs/dbraw/zinc/26/51/41/718265141.db2.gz RYMRQUJMGYQZLU-GOEBONIOSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944170045 718265143 /nfs/dbraw/zinc/26/51/43/718265143.db2.gz RYMRQUJMGYQZLU-GOEBONIOSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089825 718391938 /nfs/dbraw/zinc/39/19/38/718391938.db2.gz IEINQDRODJKIQC-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@@H](C)C1 ZINC000945178771 718415246 /nfs/dbraw/zinc/41/52/46/718415246.db2.gz HBPYWKNKADMDNN-FUHWJXTLSA-N 2 1 315.461 1.182 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779645 718906720 /nfs/dbraw/zinc/90/67/20/718906720.db2.gz RXVSIZLOFWATDH-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779645 718906723 /nfs/dbraw/zinc/90/67/23/718906723.db2.gz RXVSIZLOFWATDH-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779645 718906724 /nfs/dbraw/zinc/90/67/24/718906724.db2.gz RXVSIZLOFWATDH-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779611 718906883 /nfs/dbraw/zinc/90/68/83/718906883.db2.gz QJAZSLFQZPVEQS-WNRNVDISSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779611 718906886 /nfs/dbraw/zinc/90/68/86/718906886.db2.gz QJAZSLFQZPVEQS-WNRNVDISSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779611 718906887 /nfs/dbraw/zinc/90/68/87/718906887.db2.gz QJAZSLFQZPVEQS-WNRNVDISSA-N 2 1 319.493 1.931 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378310 719544373 /nfs/dbraw/zinc/54/43/73/719544373.db2.gz PKGBBNFXULSORT-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000968864393 719830832 /nfs/dbraw/zinc/83/08/32/719830832.db2.gz VSEZUDGEDMQASD-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000968864393 719830836 /nfs/dbraw/zinc/83/08/36/719830836.db2.gz VSEZUDGEDMQASD-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000968864393 719830840 /nfs/dbraw/zinc/83/08/40/719830840.db2.gz VSEZUDGEDMQASD-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968920369 719869312 /nfs/dbraw/zinc/86/93/12/719869312.db2.gz SXFSDNXUPWUHIH-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968920369 719869319 /nfs/dbraw/zinc/86/93/19/719869319.db2.gz SXFSDNXUPWUHIH-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968920369 719869324 /nfs/dbraw/zinc/86/93/24/719869324.db2.gz SXFSDNXUPWUHIH-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968920369 719869332 /nfs/dbraw/zinc/86/93/32/719869332.db2.gz SXFSDNXUPWUHIH-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC000968936575 719885211 /nfs/dbraw/zinc/88/52/11/719885211.db2.gz LIPGRCBYQNLXKZ-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000969001905 719919463 /nfs/dbraw/zinc/91/94/63/719919463.db2.gz HMETWWFINQIBED-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969001905 719919464 /nfs/dbraw/zinc/91/94/64/719919464.db2.gz HMETWWFINQIBED-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000969001905 719919466 /nfs/dbraw/zinc/91/94/66/719919466.db2.gz HMETWWFINQIBED-ULQDDVLXSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000969022661 719928152 /nfs/dbraw/zinc/92/81/52/719928152.db2.gz GWVJCCPZWSCVHF-HUUCEWRRSA-N 2 1 314.433 1.824 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000949398090 720061851 /nfs/dbraw/zinc/06/18/51/720061851.db2.gz HFTITDHJVHQQIM-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000949398090 720061858 /nfs/dbraw/zinc/06/18/58/720061858.db2.gz HFTITDHJVHQQIM-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000949398090 720061864 /nfs/dbraw/zinc/06/18/64/720061864.db2.gz HFTITDHJVHQQIM-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC000949398090 720061869 /nfs/dbraw/zinc/06/18/69/720061869.db2.gz HFTITDHJVHQQIM-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000969829565 720314107 /nfs/dbraw/zinc/31/41/07/720314107.db2.gz CQJNIMKVZFAVOO-JKSUJKDBSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CCCN1CC(N(CC)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC000952444010 721450148 /nfs/dbraw/zinc/45/01/48/721450148.db2.gz GSGPIIIPMWOLQT-DOTOQJQBSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023552963 735307531 /nfs/dbraw/zinc/30/75/31/735307531.db2.gz SARNLMTUFAQWCO-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552963 735307533 /nfs/dbraw/zinc/30/75/33/735307533.db2.gz SARNLMTUFAQWCO-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023552963 735307537 /nfs/dbraw/zinc/30/75/37/735307537.db2.gz SARNLMTUFAQWCO-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576038 738424151 /nfs/dbraw/zinc/42/41/51/738424151.db2.gz IZSIWMYPIZAVKG-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576038 738424152 /nfs/dbraw/zinc/42/41/52/738424152.db2.gz IZSIWMYPIZAVKG-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576038 738424155 /nfs/dbraw/zinc/42/41/55/738424155.db2.gz IZSIWMYPIZAVKG-YJBOKZPZSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001027602390 738453887 /nfs/dbraw/zinc/45/38/87/738453887.db2.gz SEUHCANGSSNQSB-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC(C)C)C2)CC1 ZINC001027693770 738557686 /nfs/dbraw/zinc/55/76/86/738557686.db2.gz JDSMOGYFRZOZHQ-SFHVURJKSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001020587679 732536866 /nfs/dbraw/zinc/53/68/66/732536866.db2.gz QDDBKOYDFZGGOW-MGPQQGTHSA-N 2 1 322.840 1.743 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021636310 733390501 /nfs/dbraw/zinc/39/05/01/733390501.db2.gz OXKMKTIHCMJZJY-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021636310 733390507 /nfs/dbraw/zinc/39/05/07/733390507.db2.gz OXKMKTIHCMJZJY-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716122 733480041 /nfs/dbraw/zinc/48/00/41/733480041.db2.gz JQALKNDSIZVNJS-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884519 738771604 /nfs/dbraw/zinc/77/16/04/738771604.db2.gz AMKXCCBKSYFUFY-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001121194250 782402870 /nfs/dbraw/zinc/40/28/70/782402870.db2.gz PKTKCENMNKFVRN-APUKJBRXSA-N 2 1 317.477 1.901 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098572076 734878092 /nfs/dbraw/zinc/87/80/92/734878092.db2.gz VOYVZIJWYRRJLL-HZPDHXFCSA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC001023429111 735227869 /nfs/dbraw/zinc/22/78/69/735227869.db2.gz DNLHZYBYISOIMR-RBSFLKMASA-N 2 1 300.406 1.365 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001023429111 735227874 /nfs/dbraw/zinc/22/78/74/735227874.db2.gz DNLHZYBYISOIMR-RBSFLKMASA-N 2 1 300.406 1.365 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC001024486818 735864304 /nfs/dbraw/zinc/86/43/04/735864304.db2.gz IYNNVURCLZALHS-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516078 735893055 /nfs/dbraw/zinc/89/30/55/735893055.db2.gz GHYRPVQHHKYKIM-HOTGVXAUSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520442 735895250 /nfs/dbraw/zinc/89/52/50/735895250.db2.gz KDGRGBRHVYRPDP-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001024520442 735895253 /nfs/dbraw/zinc/89/52/53/735895253.db2.gz KDGRGBRHVYRPDP-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001024813362 736108175 /nfs/dbraw/zinc/10/81/75/736108175.db2.gz AHIGFXZMUGMOLQ-QGZVFWFLSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469465 736706806 /nfs/dbraw/zinc/70/68/06/736706806.db2.gz PIJFDMWXXXYJDV-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001025520113 736737972 /nfs/dbraw/zinc/73/79/72/736737972.db2.gz AUXNYGFZCKCDES-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042239 737477148 /nfs/dbraw/zinc/47/71/48/737477148.db2.gz SSWJSWBYDOAMAV-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042239 737477150 /nfs/dbraw/zinc/47/71/50/737477150.db2.gz SSWJSWBYDOAMAV-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088212822 741109070 /nfs/dbraw/zinc/10/90/70/741109070.db2.gz SKURONRRGNQDMD-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008317823 737508351 /nfs/dbraw/zinc/50/83/51/737508351.db2.gz XKYFTIFQRLGXAY-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008317823 737508355 /nfs/dbraw/zinc/50/83/55/737508355.db2.gz XKYFTIFQRLGXAY-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027471085 738328200 /nfs/dbraw/zinc/32/82/00/738328200.db2.gz FIRUTTFOMDNKHX-INIZCTEOSA-N 2 1 310.401 1.812 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093100 739024223 /nfs/dbraw/zinc/02/42/23/739024223.db2.gz HNILBCMFMSDOOT-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103487 739039613 /nfs/dbraw/zinc/03/96/13/739039613.db2.gz PLLZVHWRAOUBQN-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103487 739039616 /nfs/dbraw/zinc/03/96/16/739039616.db2.gz PLLZVHWRAOUBQN-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041412069 739201893 /nfs/dbraw/zinc/20/18/93/739201893.db2.gz FLIMPXPFKHVFJW-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041412069 739201895 /nfs/dbraw/zinc/20/18/95/739201895.db2.gz FLIMPXPFKHVFJW-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001041412069 739201897 /nfs/dbraw/zinc/20/18/97/739201897.db2.gz FLIMPXPFKHVFJW-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)cn1 ZINC001028260745 739247791 /nfs/dbraw/zinc/24/77/91/739247791.db2.gz ZTRXGOKLTOBXND-HNNXBMFYSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573066 739670025 /nfs/dbraw/zinc/67/00/25/739670025.db2.gz IIYXMDAMSHXEPJ-CQSZACIVSA-N 2 1 319.474 1.885 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001035377258 751473142 /nfs/dbraw/zinc/47/31/42/751473142.db2.gz XKHKECSETXBVLG-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035377258 751473147 /nfs/dbraw/zinc/47/31/47/751473147.db2.gz XKHKECSETXBVLG-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035377258 751473151 /nfs/dbraw/zinc/47/31/51/751473151.db2.gz XKHKECSETXBVLG-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001035377258 751473153 /nfs/dbraw/zinc/47/31/53/751473153.db2.gz XKHKECSETXBVLG-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001028601097 739778503 /nfs/dbraw/zinc/77/85/03/739778503.db2.gz IDGRKKGHFXPBAM-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001028601097 739778505 /nfs/dbraw/zinc/77/85/05/739778505.db2.gz IDGRKKGHFXPBAM-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001028601097 739778508 /nfs/dbraw/zinc/77/85/08/739778508.db2.gz IDGRKKGHFXPBAM-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001028601097 739778511 /nfs/dbraw/zinc/77/85/11/739778511.db2.gz IDGRKKGHFXPBAM-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800126 740057893 /nfs/dbraw/zinc/05/78/93/740057893.db2.gz PDYRFRSTIJJOTA-CABCVRRESA-N 2 1 302.422 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800126 740057898 /nfs/dbraw/zinc/05/78/98/740057898.db2.gz PDYRFRSTIJJOTA-CABCVRRESA-N 2 1 302.422 1.378 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035431372 751508402 /nfs/dbraw/zinc/50/84/02/751508402.db2.gz FQYMONJTPGOCAO-HNNXBMFYSA-N 2 1 307.438 1.008 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001035431372 751508411 /nfs/dbraw/zinc/50/84/11/751508411.db2.gz FQYMONJTPGOCAO-HNNXBMFYSA-N 2 1 307.438 1.008 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001087607352 740674765 /nfs/dbraw/zinc/67/47/65/740674765.db2.gz ZENARAHXHNGKDY-KSZLIROESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696837 740711871 /nfs/dbraw/zinc/71/18/71/740711871.db2.gz PEWVMYODEBBSPD-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696837 740711872 /nfs/dbraw/zinc/71/18/72/740711872.db2.gz PEWVMYODEBBSPD-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696837 740711874 /nfs/dbraw/zinc/71/18/74/740711874.db2.gz PEWVMYODEBBSPD-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088064180 740978268 /nfs/dbraw/zinc/97/82/68/740978268.db2.gz PZUABMAMVVRQDE-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088095478 741024600 /nfs/dbraw/zinc/02/46/00/741024600.db2.gz PVQDVZBNHUTBGC-IXDOHACOSA-N 2 1 307.482 1.929 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088130216 741051949 /nfs/dbraw/zinc/05/19/49/741051949.db2.gz BFBJFMLVNCHXKW-MSOLQXFVSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001088430082 741488508 /nfs/dbraw/zinc/48/85/08/741488508.db2.gz HGWMYSHHKGZZTN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076324768 742660439 /nfs/dbraw/zinc/66/04/39/742660439.db2.gz ZGNBODJLKQBEJZ-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076323384 742666615 /nfs/dbraw/zinc/66/66/15/742666615.db2.gz PWYLCTHLRMCZCV-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182630239 743675868 /nfs/dbraw/zinc/67/58/68/743675868.db2.gz VGRNOXGBGNVYPK-LZLYRXPVSA-N 2 1 305.466 1.426 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001127066412 743696408 /nfs/dbraw/zinc/69/64/08/743696408.db2.gz NQYBHQZTHKDUGY-HNNXBMFYSA-N 2 1 320.462 1.698 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861170 744247757 /nfs/dbraw/zinc/24/77/57/744247757.db2.gz SREYAOUZASOJTL-KMFMINBZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088861170 744247760 /nfs/dbraw/zinc/24/77/60/744247760.db2.gz SREYAOUZASOJTL-KMFMINBZSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142136 744630535 /nfs/dbraw/zinc/63/05/35/744630535.db2.gz YHTJJKIVTVBBCU-OVWQWFNUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142136 744630538 /nfs/dbraw/zinc/63/05/38/744630538.db2.gz YHTJJKIVTVBBCU-OVWQWFNUSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142136 744630539 /nfs/dbraw/zinc/63/05/39/744630539.db2.gz YHTJJKIVTVBBCU-OVWQWFNUSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992350015 744812704 /nfs/dbraw/zinc/81/27/04/744812704.db2.gz JEXGPHYNMZPCQO-HKUYNNGSSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC000992350015 744812707 /nfs/dbraw/zinc/81/27/07/744812707.db2.gz JEXGPHYNMZPCQO-HKUYNNGSSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C(C)C)CC3)CC1 ZINC000992514409 744931296 /nfs/dbraw/zinc/93/12/96/744931296.db2.gz XPQXJVCAOCZWDL-MJGOQNOKSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193462189 746110065 /nfs/dbraw/zinc/11/00/65/746110065.db2.gz LUEMHCBLAYJEMZ-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193462189 746110067 /nfs/dbraw/zinc/11/00/67/746110067.db2.gz LUEMHCBLAYJEMZ-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193462189 746110071 /nfs/dbraw/zinc/11/00/71/746110071.db2.gz LUEMHCBLAYJEMZ-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001196168393 746791552 /nfs/dbraw/zinc/79/15/52/746791552.db2.gz JNEYILPNVDCBTA-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196168393 746791555 /nfs/dbraw/zinc/79/15/55/746791555.db2.gz JNEYILPNVDCBTA-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196168393 746791559 /nfs/dbraw/zinc/79/15/59/746791559.db2.gz JNEYILPNVDCBTA-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089539295 747172164 /nfs/dbraw/zinc/17/21/64/747172164.db2.gz KLBKASXZIGICRT-MRXNPFEDSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(CC)CCO2)CC(C)(C)C1 ZINC001089560990 747223108 /nfs/dbraw/zinc/22/31/08/747223108.db2.gz LTHFKHQVBHWGRJ-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC(C)(C)C1 ZINC001089560990 747223114 /nfs/dbraw/zinc/22/31/14/747223114.db2.gz LTHFKHQVBHWGRJ-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC(C)(C)C1 ZINC001089560990 747223119 /nfs/dbraw/zinc/22/31/19/747223119.db2.gz LTHFKHQVBHWGRJ-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089560990 747223122 /nfs/dbraw/zinc/22/31/22/747223122.db2.gz LTHFKHQVBHWGRJ-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC(C)(C)C1 ZINC001089560990 747223128 /nfs/dbraw/zinc/22/31/28/747223128.db2.gz LTHFKHQVBHWGRJ-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466868 747243433 /nfs/dbraw/zinc/24/34/33/747243433.db2.gz JZGOMRLOLCCCCK-UHFFFAOYSA-N 2 1 319.453 1.233 20 30 DDEDMP C=C(C)CC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466868 747243436 /nfs/dbraw/zinc/24/34/36/747243436.db2.gz JZGOMRLOLCCCCK-UHFFFAOYSA-N 2 1 319.453 1.233 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212253682 747391560 /nfs/dbraw/zinc/39/15/60/747391560.db2.gz IMRABPGPMVWWEG-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212253682 747391568 /nfs/dbraw/zinc/39/15/68/747391568.db2.gz IMRABPGPMVWWEG-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212253682 747391572 /nfs/dbraw/zinc/39/15/72/747391572.db2.gz IMRABPGPMVWWEG-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001036118184 752187819 /nfs/dbraw/zinc/18/78/19/752187819.db2.gz PSBMRWFKTQYUEV-GJZGRUSLSA-N 2 1 316.449 1.775 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001200658443 748317979 /nfs/dbraw/zinc/31/79/79/748317979.db2.gz NCPNDPXAJUGZJO-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001201066306 748402236 /nfs/dbraw/zinc/40/22/36/748402236.db2.gz JWLVPXCYSWFNBY-UHFFFAOYSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007722769 752293788 /nfs/dbraw/zinc/29/37/88/752293788.db2.gz KMYPMIGCLGGJTK-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001007722769 752293792 /nfs/dbraw/zinc/29/37/92/752293792.db2.gz KMYPMIGCLGGJTK-OAHLLOKOSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202148134 748697370 /nfs/dbraw/zinc/69/73/70/748697370.db2.gz QARITJZWZXCIIF-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001202165144 748703172 /nfs/dbraw/zinc/70/31/72/748703172.db2.gz UXJULFNHONHURK-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001202165144 748703175 /nfs/dbraw/zinc/70/31/75/748703175.db2.gz UXJULFNHONHURK-KRWDZBQOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001202178375 748704297 /nfs/dbraw/zinc/70/42/97/748704297.db2.gz JHCOLIGVXVRSLK-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033365177 749253739 /nfs/dbraw/zinc/25/37/39/749253739.db2.gz CIHLUPQTTNPPRM-GDBMZVCRSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033365177 749253743 /nfs/dbraw/zinc/25/37/43/749253743.db2.gz CIHLUPQTTNPPRM-GDBMZVCRSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996309228 749502239 /nfs/dbraw/zinc/50/22/39/749502239.db2.gz HOJNTCPOKQVCQQ-GOEBONIOSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518997 749651780 /nfs/dbraw/zinc/65/17/80/749651780.db2.gz MBFDLZQYHCKSQI-UONOGXRCSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033684962 749714203 /nfs/dbraw/zinc/71/42/03/749714203.db2.gz JUKLGZRCPIASFY-QGZVFWFLSA-N 2 1 313.445 1.918 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001128773545 750083374 /nfs/dbraw/zinc/08/33/74/750083374.db2.gz BBBGNCQANOOSQM-OAHLLOKOSA-N 2 1 320.462 1.700 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C2 ZINC001111127484 750381791 /nfs/dbraw/zinc/38/17/91/750381791.db2.gz FNLXWGYFRDKJDA-MIGQKNRLSA-N 2 1 300.406 1.333 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589291 750612578 /nfs/dbraw/zinc/61/25/78/750612578.db2.gz VIGZBEUVXCPSCS-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001034674095 750673176 /nfs/dbraw/zinc/67/31/76/750673176.db2.gz DIVRWSPZUVJQKE-QAETUUGQSA-N 2 1 303.450 1.654 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039474404 762063305 /nfs/dbraw/zinc/06/33/05/762063305.db2.gz GNEYTNUWHXDODO-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039474404 762063315 /nfs/dbraw/zinc/06/33/15/762063315.db2.gz GNEYTNUWHXDODO-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039474404 762063322 /nfs/dbraw/zinc/06/33/22/762063322.db2.gz GNEYTNUWHXDODO-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039474404 762063332 /nfs/dbraw/zinc/06/33/32/762063332.db2.gz GNEYTNUWHXDODO-SQNIBIBYSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001034715600 750753763 /nfs/dbraw/zinc/75/37/63/750753763.db2.gz SCZTUAKZOUXJKX-BZUAXINKSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001034715600 750753771 /nfs/dbraw/zinc/75/37/71/750753771.db2.gz SCZTUAKZOUXJKX-BZUAXINKSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001114662280 750954729 /nfs/dbraw/zinc/95/47/29/750954729.db2.gz HBPAPWWUGLUXEA-ZSHCYNCHSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000683361 762087691 /nfs/dbraw/zinc/08/76/91/762087691.db2.gz QOTFBFIYFUDFCO-DLBZAZTESA-N 2 1 303.450 1.795 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000683361 762087701 /nfs/dbraw/zinc/08/77/01/762087701.db2.gz QOTFBFIYFUDFCO-DLBZAZTESA-N 2 1 303.450 1.795 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000683361 762087710 /nfs/dbraw/zinc/08/77/10/762087710.db2.gz QOTFBFIYFUDFCO-DLBZAZTESA-N 2 1 303.450 1.795 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001035193777 751293170 /nfs/dbraw/zinc/29/31/70/751293170.db2.gz OHYFHAZPRNYYIY-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035216873 751316162 /nfs/dbraw/zinc/31/61/62/751316162.db2.gz FTKITPXBHNMUNA-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035216873 751316167 /nfs/dbraw/zinc/31/61/67/751316167.db2.gz FTKITPXBHNMUNA-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001035216873 751316172 /nfs/dbraw/zinc/31/61/72/751316172.db2.gz FTKITPXBHNMUNA-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000999023091 752455326 /nfs/dbraw/zinc/45/53/26/752455326.db2.gz GYCCQIRIHDJQOB-UHFFFAOYSA-N 2 1 306.410 1.505 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008535545 752787540 /nfs/dbraw/zinc/78/75/40/752787540.db2.gz TUGQFSHLMBHLLR-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008535545 752787543 /nfs/dbraw/zinc/78/75/43/752787543.db2.gz TUGQFSHLMBHLLR-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999406879 752895927 /nfs/dbraw/zinc/89/59/27/752895927.db2.gz BDHPQCBQERMNKL-KVULBXGLSA-N 2 1 311.445 1.964 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001005885578 753304502 /nfs/dbraw/zinc/30/45/02/753304502.db2.gz XBDYQTDKFNCDIN-HOTGVXAUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183162 753618466 /nfs/dbraw/zinc/61/84/66/753618466.db2.gz YJNGATXQIKWVEN-WBVHZDCISA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H](C)F)CC1 ZINC001032800683 754078454 /nfs/dbraw/zinc/07/84/54/754078454.db2.gz UNCNQLJTFVOHHV-XIRDDKMYSA-N 2 1 321.440 1.365 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757209 754496217 /nfs/dbraw/zinc/49/62/17/754496217.db2.gz OEFLJXAGZUMRTB-KRWDZBQOSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206007096 762340773 /nfs/dbraw/zinc/34/07/73/762340773.db2.gz YHNFGNVDBGDPQO-SFHVURJKSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014433571 755734040 /nfs/dbraw/zinc/73/40/40/755734040.db2.gz KXYHBBJDLYEHBG-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014433571 755734043 /nfs/dbraw/zinc/73/40/43/755734043.db2.gz KXYHBBJDLYEHBG-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014433571 755734044 /nfs/dbraw/zinc/73/40/44/755734044.db2.gz KXYHBBJDLYEHBG-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754705 756084350 /nfs/dbraw/zinc/08/43/50/756084350.db2.gz WDKWFTTXFHCQRU-RHSMWYFYSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799089 756483864 /nfs/dbraw/zinc/48/38/64/756483864.db2.gz BSVRQWZKLSPPGM-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799089 756483867 /nfs/dbraw/zinc/48/38/67/756483867.db2.gz BSVRQWZKLSPPGM-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799089 756483870 /nfs/dbraw/zinc/48/38/70/756483870.db2.gz BSVRQWZKLSPPGM-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135202 756649287 /nfs/dbraw/zinc/64/92/87/756649287.db2.gz SUEZMOKTSKHQCN-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135202 756649292 /nfs/dbraw/zinc/64/92/92/756649292.db2.gz SUEZMOKTSKHQCN-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001082135202 756649295 /nfs/dbraw/zinc/64/92/95/756649295.db2.gz SUEZMOKTSKHQCN-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001082568325 756854930 /nfs/dbraw/zinc/85/49/30/756854930.db2.gz NLUFRHFGMSFRST-OIISXLGYSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC2CC2)C1 ZINC001082568325 756854935 /nfs/dbraw/zinc/85/49/35/756854935.db2.gz NLUFRHFGMSFRST-OIISXLGYSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110587 757117188 /nfs/dbraw/zinc/11/71/88/757117188.db2.gz KVOYUABRMFETKH-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110587 757117192 /nfs/dbraw/zinc/11/71/92/757117192.db2.gz KVOYUABRMFETKH-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110587 757117197 /nfs/dbraw/zinc/11/71/97/757117197.db2.gz KVOYUABRMFETKH-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@H]2C1 ZINC001083172990 757176509 /nfs/dbraw/zinc/17/65/09/757176509.db2.gz MHFXPGDGMBAIGA-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@H]2C1 ZINC001083172990 757176511 /nfs/dbraw/zinc/17/65/11/757176511.db2.gz MHFXPGDGMBAIGA-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@H]2C1 ZINC001083172990 757176513 /nfs/dbraw/zinc/17/65/13/757176513.db2.gz MHFXPGDGMBAIGA-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@H]2C1 ZINC001083172990 757176516 /nfs/dbraw/zinc/17/65/16/757176516.db2.gz MHFXPGDGMBAIGA-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001016687366 757267608 /nfs/dbraw/zinc/26/76/08/757267608.db2.gz IFVAXMNYKTUUTC-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040529708 762579759 /nfs/dbraw/zinc/57/97/59/762579759.db2.gz REBRMDSKEQSNET-SFHVURJKSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=C)C)C[C@H]32)CC1 ZINC001084849984 757980944 /nfs/dbraw/zinc/98/09/44/757980944.db2.gz DBMYMAKKUNCUIS-QZTJIDSGSA-N 2 1 315.461 1.440 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC001084852895 757983596 /nfs/dbraw/zinc/98/35/96/757983596.db2.gz RQYKWDNSFHEHHI-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852895 757983602 /nfs/dbraw/zinc/98/36/02/757983602.db2.gz RQYKWDNSFHEHHI-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC001084852895 757983607 /nfs/dbraw/zinc/98/36/07/757983607.db2.gz RQYKWDNSFHEHHI-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001085025228 758159590 /nfs/dbraw/zinc/15/95/90/758159590.db2.gz LHQIGAFXMZFOTD-IXDOHACOSA-N 2 1 305.466 1.519 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001040774611 762676832 /nfs/dbraw/zinc/67/68/32/762676832.db2.gz OEIFIJXBYACUAW-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054100385 759165619 /nfs/dbraw/zinc/16/56/19/759165619.db2.gz ZIURBNJGHZFOOF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054100385 759165622 /nfs/dbraw/zinc/16/56/22/759165622.db2.gz ZIURBNJGHZFOOF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001054100385 759165628 /nfs/dbraw/zinc/16/56/28/759165628.db2.gz ZIURBNJGHZFOOF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145081 759221902 /nfs/dbraw/zinc/22/19/02/759221902.db2.gz JSCWRTZDIOAXRF-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145081 759221909 /nfs/dbraw/zinc/22/19/09/759221909.db2.gz JSCWRTZDIOAXRF-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145081 759221916 /nfs/dbraw/zinc/22/19/16/759221916.db2.gz JSCWRTZDIOAXRF-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054192515 759277392 /nfs/dbraw/zinc/27/73/92/759277392.db2.gz ZLIVDXJIJMKPIQ-IEBWSBKVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054228771 759317518 /nfs/dbraw/zinc/31/75/18/759317518.db2.gz ZJMHDZDBHHOTGU-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228771 759317526 /nfs/dbraw/zinc/31/75/26/759317526.db2.gz ZJMHDZDBHHOTGU-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054228771 759317533 /nfs/dbraw/zinc/31/75/33/759317533.db2.gz ZJMHDZDBHHOTGU-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001054240058 759329930 /nfs/dbraw/zinc/32/99/30/759329930.db2.gz LCAAAEMCAPIOAN-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240058 759329938 /nfs/dbraw/zinc/32/99/38/759329938.db2.gz LCAAAEMCAPIOAN-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001054240058 759329946 /nfs/dbraw/zinc/32/99/46/759329946.db2.gz LCAAAEMCAPIOAN-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001085638797 759908529 /nfs/dbraw/zinc/90/85/29/759908529.db2.gz AJUUQKYIEXYVAM-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001085638797 759908534 /nfs/dbraw/zinc/90/85/34/759908534.db2.gz AJUUQKYIEXYVAM-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001085638797 759908537 /nfs/dbraw/zinc/90/85/37/759908537.db2.gz AJUUQKYIEXYVAM-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100023991 760818627 /nfs/dbraw/zinc/81/86/27/760818627.db2.gz CCYYTVARKXYDIQ-IRXDYDNUSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086389593 761529728 /nfs/dbraw/zinc/52/97/28/761529728.db2.gz SLOJDTUQMISESP-ULQDDVLXSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001086389593 761529734 /nfs/dbraw/zinc/52/97/34/761529734.db2.gz SLOJDTUQMISESP-ULQDDVLXSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001039042325 761683497 /nfs/dbraw/zinc/68/34/97/761683497.db2.gz PXVYJZZJVFGOJX-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001039135348 761768910 /nfs/dbraw/zinc/76/89/10/761768910.db2.gz CJQZEENYYJENQT-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153800 761782364 /nfs/dbraw/zinc/78/23/64/761782364.db2.gz HXRBWAXBPDIBNY-ZWKOTPCHSA-N 2 1 319.493 1.766 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243304 761881055 /nfs/dbraw/zinc/88/10/55/761881055.db2.gz UINJIEVKBQDLTK-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C/C=C/Cl)CC1 ZINC001001493100 762913409 /nfs/dbraw/zinc/91/34/09/762913409.db2.gz WCVAFCZCCXCJJL-YCOJEUHLSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C/C=C/Cl)CC1 ZINC001001493100 762913413 /nfs/dbraw/zinc/91/34/13/762913413.db2.gz WCVAFCZCCXCJJL-YCOJEUHLSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001001571346 762971306 /nfs/dbraw/zinc/97/13/06/762971306.db2.gz BVJIXRDFINKYIS-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041353654 762975687 /nfs/dbraw/zinc/97/56/87/762975687.db2.gz IPCYYCWOMFKIIR-QGZVFWFLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075645 763096491 /nfs/dbraw/zinc/09/64/91/763096491.db2.gz LWZJQXRYJLMCSH-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075645 763096497 /nfs/dbraw/zinc/09/64/97/763096497.db2.gz LWZJQXRYJLMCSH-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075645 763096504 /nfs/dbraw/zinc/09/65/04/763096504.db2.gz LWZJQXRYJLMCSH-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001050075645 763096511 /nfs/dbraw/zinc/09/65/11/763096511.db2.gz LWZJQXRYJLMCSH-YYIAUSFCSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001041679846 763218718 /nfs/dbraw/zinc/21/87/18/763218718.db2.gz PEMNTHJEDCAXEW-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679846 763218723 /nfs/dbraw/zinc/21/87/23/763218723.db2.gz PEMNTHJEDCAXEW-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001041679846 763218730 /nfs/dbraw/zinc/21/87/30/763218730.db2.gz PEMNTHJEDCAXEW-FUHWJXTLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041715947 763243819 /nfs/dbraw/zinc/24/38/19/763243819.db2.gz MXNWAKDBWXTWJA-GOSISDBHSA-N 2 1 314.433 1.564 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001041715947 763243828 /nfs/dbraw/zinc/24/38/28/763243828.db2.gz MXNWAKDBWXTWJA-GOSISDBHSA-N 2 1 314.433 1.564 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042135955 763693259 /nfs/dbraw/zinc/69/32/59/763693259.db2.gz ZKIXWQBQZUHTOC-QAPCUYQASA-N 2 1 322.412 1.894 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050517997 763695621 /nfs/dbraw/zinc/69/56/21/763695621.db2.gz PDMBGZKAVVUXKF-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233533 763794051 /nfs/dbraw/zinc/79/40/51/763794051.db2.gz FZYCZODHKZHIBY-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233533 763794055 /nfs/dbraw/zinc/79/40/55/763794055.db2.gz FZYCZODHKZHIBY-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042233533 763794058 /nfs/dbraw/zinc/79/40/58/763794058.db2.gz FZYCZODHKZHIBY-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)CC1 ZINC001050694850 763929558 /nfs/dbraw/zinc/92/95/58/763929558.db2.gz MOUHUMQVQZUMDE-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100140822 764381041 /nfs/dbraw/zinc/38/10/41/764381041.db2.gz DLXSSFYKAJFCNH-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC[NH+](C)C)C[C@H](C)O2 ZINC001131696894 768277995 /nfs/dbraw/zinc/27/79/95/768277995.db2.gz CLAQWNFNDMXPRT-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378199 765772144 /nfs/dbraw/zinc/77/21/44/765772144.db2.gz UBJGDSZXWDPPEV-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378199 765772147 /nfs/dbraw/zinc/77/21/47/765772147.db2.gz UBJGDSZXWDPPEV-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378199 765772151 /nfs/dbraw/zinc/77/21/51/765772151.db2.gz UBJGDSZXWDPPEV-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447852 765839261 /nfs/dbraw/zinc/83/92/61/765839261.db2.gz NQZMAQRBTISKAI-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447852 765839268 /nfs/dbraw/zinc/83/92/68/765839268.db2.gz NQZMAQRBTISKAI-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001045979509 766757554 /nfs/dbraw/zinc/75/75/54/766757554.db2.gz GPSZXFJZURPKFN-GOSISDBHSA-N 2 1 315.461 1.420 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001130297450 767417515 /nfs/dbraw/zinc/41/75/15/767417515.db2.gz LXECALRCMXJIAR-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP O=C(NCCNCC#Cc1ccccc1)[C@H]1CCn2ccnc2C1 ZINC001130481322 767557508 /nfs/dbraw/zinc/55/75/08/767557508.db2.gz PRUWFHABMIRZEZ-KRWDZBQOSA-N 2 1 322.412 1.203 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046501440 767633186 /nfs/dbraw/zinc/63/31/86/767633186.db2.gz RJEOQCPASREXIT-HILOLKJVSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001046501440 767633191 /nfs/dbraw/zinc/63/31/91/767633191.db2.gz RJEOQCPASREXIT-HILOLKJVSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001046501440 767633193 /nfs/dbraw/zinc/63/31/93/767633193.db2.gz RJEOQCPASREXIT-HILOLKJVSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001047443514 768480618 /nfs/dbraw/zinc/48/06/18/768480618.db2.gz HOZZJFRRHSVJJY-HOTGVXAUSA-N 2 1 314.389 1.028 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132106151 768632586 /nfs/dbraw/zinc/63/25/86/768632586.db2.gz QRPXVGRVEOLAOO-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@@H]1C ZINC001132106151 768632595 /nfs/dbraw/zinc/63/25/95/768632595.db2.gz QRPXVGRVEOLAOO-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132106151 768632600 /nfs/dbraw/zinc/63/26/00/768632600.db2.gz QRPXVGRVEOLAOO-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132361220 768787406 /nfs/dbraw/zinc/78/74/06/768787406.db2.gz ZUWHRWRGJXIIMF-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132361220 768787412 /nfs/dbraw/zinc/78/74/12/768787412.db2.gz ZUWHRWRGJXIIMF-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@H]1C ZINC001132494259 768927044 /nfs/dbraw/zinc/92/70/44/768927044.db2.gz QDIQMEDDHZWCKU-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001048526643 769494474 /nfs/dbraw/zinc/49/44/74/769494474.db2.gz WUBIABABOGWAKZ-FLXSYLCISA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048526643 769494482 /nfs/dbraw/zinc/49/44/82/769494482.db2.gz WUBIABABOGWAKZ-FLXSYLCISA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001048526643 769494485 /nfs/dbraw/zinc/49/44/85/769494485.db2.gz WUBIABABOGWAKZ-FLXSYLCISA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001133142110 769525727 /nfs/dbraw/zinc/52/57/27/769525727.db2.gz KNWDFZLXYMXHBP-HOTGVXAUSA-N 2 1 316.449 1.714 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048587445 769564393 /nfs/dbraw/zinc/56/43/93/769564393.db2.gz LUPAWQWHYQGWAR-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048587445 769564399 /nfs/dbraw/zinc/56/43/99/769564399.db2.gz LUPAWQWHYQGWAR-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048587445 769564412 /nfs/dbraw/zinc/56/44/12/769564412.db2.gz LUPAWQWHYQGWAR-NXOAAHMSSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048876418 770032354 /nfs/dbraw/zinc/03/23/54/770032354.db2.gz XDCQAWPHVYDRCD-BBWFWOEESA-N 2 1 307.482 1.929 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107444 770390854 /nfs/dbraw/zinc/39/08/54/770390854.db2.gz JVTZGENRECUUNZ-VVLHAWIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C[C@H]2C1 ZINC001049107444 770390863 /nfs/dbraw/zinc/39/08/63/770390863.db2.gz JVTZGENRECUUNZ-VVLHAWIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107444 770390874 /nfs/dbraw/zinc/39/08/74/770390874.db2.gz JVTZGENRECUUNZ-VVLHAWIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]2C1 ZINC001049138871 770447352 /nfs/dbraw/zinc/44/73/52/770447352.db2.gz RNLJIDITTOXFGH-IYBDPMFKSA-N 2 1 323.400 1.457 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C[C@H]2C1 ZINC001049138871 770447355 /nfs/dbraw/zinc/44/73/55/770447355.db2.gz RNLJIDITTOXFGH-IYBDPMFKSA-N 2 1 323.400 1.457 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCF)C2)CC1 ZINC001072096328 770537367 /nfs/dbraw/zinc/53/73/67/770537367.db2.gz XNANPCHPKAOYGV-GOEBONIOSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCF)C2)CC1 ZINC001072096328 770537371 /nfs/dbraw/zinc/53/73/71/770537371.db2.gz XNANPCHPKAOYGV-GOEBONIOSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001049478312 770905150 /nfs/dbraw/zinc/90/51/50/770905150.db2.gz MQUXCVGMMNWTIR-RCCFBDPRSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789826 771159912 /nfs/dbraw/zinc/15/99/12/771159912.db2.gz HLPVXSODTFNGHM-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789826 771159916 /nfs/dbraw/zinc/15/99/16/771159916.db2.gz HLPVXSODTFNGHM-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049804300 771173651 /nfs/dbraw/zinc/17/36/51/771173651.db2.gz FBTRHWLNDXRPKC-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049842758 771200684 /nfs/dbraw/zinc/20/06/84/771200684.db2.gz YAOQRIPDEKLVDA-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049842758 771200686 /nfs/dbraw/zinc/20/06/86/771200686.db2.gz YAOQRIPDEKLVDA-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049842758 771200688 /nfs/dbraw/zinc/20/06/88/771200688.db2.gz YAOQRIPDEKLVDA-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899976 771244071 /nfs/dbraw/zinc/24/40/71/771244071.db2.gz HUUAEDKNMSOJRW-HZPDHXFCSA-N 2 1 300.406 1.280 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049899976 771244073 /nfs/dbraw/zinc/24/40/73/771244073.db2.gz HUUAEDKNMSOJRW-HZPDHXFCSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049900421 771244344 /nfs/dbraw/zinc/24/43/44/771244344.db2.gz KSJXLRJRRXVDER-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049900421 771244347 /nfs/dbraw/zinc/24/43/47/771244347.db2.gz KSJXLRJRRXVDER-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](CC#C)CC1 ZINC001049921254 771263111 /nfs/dbraw/zinc/26/31/11/771263111.db2.gz WBFYHSGVVNTXHJ-MSOLQXFVSA-N 2 1 313.445 1.030 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135689950 771655840 /nfs/dbraw/zinc/65/58/40/771655840.db2.gz CTOCGIBYXYIWHL-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090615812 772043773 /nfs/dbraw/zinc/04/37/73/772043773.db2.gz KHKPOYWAJIDPND-LSDHHAIUSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090615812 772043776 /nfs/dbraw/zinc/04/37/76/772043776.db2.gz KHKPOYWAJIDPND-LSDHHAIUSA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001091204881 772615268 /nfs/dbraw/zinc/61/52/68/772615268.db2.gz OLLMWKOOFOXCHV-PCKAHOCUSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091664695 773258488 /nfs/dbraw/zinc/25/84/88/773258488.db2.gz ZCTSZIJUAVKEHO-NUJGCVRESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664695 773258491 /nfs/dbraw/zinc/25/84/91/773258491.db2.gz ZCTSZIJUAVKEHO-NUJGCVRESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664695 773258496 /nfs/dbraw/zinc/25/84/96/773258496.db2.gz ZCTSZIJUAVKEHO-NUJGCVRESA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091720866 773468456 /nfs/dbraw/zinc/46/84/56/773468456.db2.gz DYQFMLZODPEICP-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859148 773474704 /nfs/dbraw/zinc/47/47/04/773474704.db2.gz BOLRLKCYWLUWLE-AWEZNQCLSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001073859148 773474707 /nfs/dbraw/zinc/47/47/07/773474707.db2.gz BOLRLKCYWLUWLE-AWEZNQCLSA-N 2 1 318.421 1.154 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001073899470 773510704 /nfs/dbraw/zinc/51/07/04/773510704.db2.gz UWSBURALKYGABK-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899470 773510707 /nfs/dbraw/zinc/51/07/07/773510707.db2.gz UWSBURALKYGABK-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001073899470 773510709 /nfs/dbraw/zinc/51/07/09/773510709.db2.gz UWSBURALKYGABK-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823407 773830620 /nfs/dbraw/zinc/83/06/20/773830620.db2.gz BBYDOMDWPSOCMP-APWZRJJASA-N 2 1 322.412 1.752 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@]2(C)C1 ZINC001092157681 773965430 /nfs/dbraw/zinc/96/54/30/773965430.db2.gz LGVOFJCFVIYEEG-MJGOQNOKSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092623542 774202779 /nfs/dbraw/zinc/20/27/79/774202779.db2.gz YFERJHXGJKQSBZ-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092623542 774202785 /nfs/dbraw/zinc/20/27/85/774202785.db2.gz YFERJHXGJKQSBZ-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092623542 774202786 /nfs/dbraw/zinc/20/27/86/774202786.db2.gz YFERJHXGJKQSBZ-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092623512 774202795 /nfs/dbraw/zinc/20/27/95/774202795.db2.gz XFQOFZPSANSGJK-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092623512 774202799 /nfs/dbraw/zinc/20/27/99/774202799.db2.gz XFQOFZPSANSGJK-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001092623512 774202801 /nfs/dbraw/zinc/20/28/01/774202801.db2.gz XFQOFZPSANSGJK-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001098924849 774723979 /nfs/dbraw/zinc/72/39/79/774723979.db2.gz RYWBOZGFLGKECP-LPHOPBHVSA-N 2 1 322.412 1.942 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036871476 775009910 /nfs/dbraw/zinc/00/99/10/775009910.db2.gz MHPHMQSZYMRSIN-HOTGVXAUSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544508 775023146 /nfs/dbraw/zinc/02/31/46/775023146.db2.gz QCVAVHCGRIINCK-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544508 775023152 /nfs/dbraw/zinc/02/31/52/775023152.db2.gz QCVAVHCGRIINCK-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544508 775023159 /nfs/dbraw/zinc/02/31/59/775023159.db2.gz QCVAVHCGRIINCK-YVSFHVDLSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038475 775603494 /nfs/dbraw/zinc/60/34/94/775603494.db2.gz JSTFDWIIRAWQRM-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001100038475 775603496 /nfs/dbraw/zinc/60/34/96/775603496.db2.gz JSTFDWIIRAWQRM-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001094450352 775888736 /nfs/dbraw/zinc/88/87/36/775888736.db2.gz MRPLZQPKXIORFA-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450352 775888745 /nfs/dbraw/zinc/88/87/45/775888745.db2.gz MRPLZQPKXIORFA-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001094450352 775888751 /nfs/dbraw/zinc/88/87/51/775888751.db2.gz MRPLZQPKXIORFA-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560321 776028913 /nfs/dbraw/zinc/02/89/13/776028913.db2.gz QEHKPCDOBRWBDB-NVXWUHKLSA-N 2 1 301.434 1.076 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC/C=C\CC)C1 ZINC001100415564 776122108 /nfs/dbraw/zinc/12/21/08/776122108.db2.gz XBVKGIFBGZFNBU-XPFSLDDWSA-N 2 1 317.477 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC/C=C\CC)C1 ZINC001100415564 776122116 /nfs/dbraw/zinc/12/21/16/776122116.db2.gz XBVKGIFBGZFNBU-XPFSLDDWSA-N 2 1 317.477 1.925 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001100470817 776200480 /nfs/dbraw/zinc/20/04/80/776200480.db2.gz CFXCVZUCLPXRGB-JCYILVPMSA-N 2 1 305.466 1.615 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001100599300 776350704 /nfs/dbraw/zinc/35/07/04/776350704.db2.gz RFRFOBWDDIBOMN-CGZBRXJRSA-N 2 1 305.466 1.616 20 30 DDEDMP CC(C)(C[NH3+])[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173421754 777182023 /nfs/dbraw/zinc/18/20/23/777182023.db2.gz BXOAFEVIUWHBKH-UHFFFAOYSA-N 2 1 300.406 1.490 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194640 777209637 /nfs/dbraw/zinc/20/96/37/777209637.db2.gz UYGNMXLQXCMQSO-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001101596167 777287398 /nfs/dbraw/zinc/28/73/98/777287398.db2.gz LXRWIJGIXDSMDB-UHFFFAOYSA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102061733 777844846 /nfs/dbraw/zinc/84/48/46/777844846.db2.gz BVZAJBGFCRTKES-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102061733 777844855 /nfs/dbraw/zinc/84/48/55/777844855.db2.gz BVZAJBGFCRTKES-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102061733 777844865 /nfs/dbraw/zinc/84/48/65/777844865.db2.gz BVZAJBGFCRTKES-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001176071656 778011114 /nfs/dbraw/zinc/01/11/14/778011114.db2.gz HKQWDDWOVIHSCT-OAHLLOKOSA-N 2 1 318.396 1.245 20 30 DDEDMP C=C(C)CCN1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124180 778436160 /nfs/dbraw/zinc/43/61/60/778436160.db2.gz HVPKCWMUHXKWDZ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177124180 778436165 /nfs/dbraw/zinc/43/61/65/778436165.db2.gz HVPKCWMUHXKWDZ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124180 778436167 /nfs/dbraw/zinc/43/61/67/778436167.db2.gz HVPKCWMUHXKWDZ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124180 778436172 /nfs/dbraw/zinc/43/61/72/778436172.db2.gz HVPKCWMUHXKWDZ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124180 778436176 /nfs/dbraw/zinc/43/61/76/778436176.db2.gz HVPKCWMUHXKWDZ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@@H+](C)CCC)C[C@H]21 ZINC001177139706 778458955 /nfs/dbraw/zinc/45/89/55/778458955.db2.gz UCZUEZZJYYXMND-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CCO[C@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@H]21 ZINC001177139706 778458959 /nfs/dbraw/zinc/45/89/59/778458959.db2.gz UCZUEZZJYYXMND-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177139706 778458963 /nfs/dbraw/zinc/45/89/63/778458963.db2.gz UCZUEZZJYYXMND-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@H]21 ZINC001177139706 778458966 /nfs/dbraw/zinc/45/89/66/778458966.db2.gz UCZUEZZJYYXMND-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC001179234579 779314870 /nfs/dbraw/zinc/31/48/70/779314870.db2.gz UCOYADRTDUTUHK-RDJZCZTQSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001180136369 779619445 /nfs/dbraw/zinc/61/94/45/779619445.db2.gz ZUQBDJWZQVGBEJ-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112428826 779775123 /nfs/dbraw/zinc/77/51/23/779775123.db2.gz NLXQTDHUCVPEEO-JZXOWHBKSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#CC)CCCCC1 ZINC001115578014 780246698 /nfs/dbraw/zinc/24/66/98/780246698.db2.gz UUEFMHOYZKOXQK-KRWDZBQOSA-N 2 1 315.461 1.516 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC#CC)CCCCC1 ZINC001115578014 780246702 /nfs/dbraw/zinc/24/67/02/780246702.db2.gz UUEFMHOYZKOXQK-KRWDZBQOSA-N 2 1 315.461 1.516 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267294514 837767284 /nfs/dbraw/zinc/76/72/84/837767284.db2.gz IZYHFOGSRCTIQR-YESZJQIVSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267294514 837767292 /nfs/dbraw/zinc/76/72/92/837767292.db2.gz IZYHFOGSRCTIQR-YESZJQIVSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267294514 837767300 /nfs/dbraw/zinc/76/73/00/837767300.db2.gz IZYHFOGSRCTIQR-YESZJQIVSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267302903 837785259 /nfs/dbraw/zinc/78/52/59/837785259.db2.gz IQUZWYKSCYXOSY-YJBOKZPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267302903 837785266 /nfs/dbraw/zinc/78/52/66/837785266.db2.gz IQUZWYKSCYXOSY-YJBOKZPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267302903 837785271 /nfs/dbraw/zinc/78/52/71/837785271.db2.gz IQUZWYKSCYXOSY-YJBOKZPZSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001266488741 836337956 /nfs/dbraw/zinc/33/79/56/836337956.db2.gz OROBRSNUIMUVAV-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001266488741 836337966 /nfs/dbraw/zinc/33/79/66/836337966.db2.gz OROBRSNUIMUVAV-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001266488741 836337980 /nfs/dbraw/zinc/33/79/80/836337980.db2.gz OROBRSNUIMUVAV-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266496041 836347585 /nfs/dbraw/zinc/34/75/85/836347585.db2.gz ZOJMXDJVPZPZOO-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001266916014 837052921 /nfs/dbraw/zinc/05/29/21/837052921.db2.gz JNBAWXVNVFVXLB-FHERZECASA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001271953621 844234093 /nfs/dbraw/zinc/23/40/93/844234093.db2.gz HZYPVMLRCPYZHS-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001266970595 837130723 /nfs/dbraw/zinc/13/07/23/837130723.db2.gz FNLQOHSRLSLJLS-AWEZNQCLSA-N 2 1 320.437 1.945 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(=C)C)C1CC1 ZINC001269079585 841184019 /nfs/dbraw/zinc/18/40/19/841184019.db2.gz OGXXRXLITMDXOJ-IRXDYDNUSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(=C)C)C1CC1 ZINC001269079585 841184026 /nfs/dbraw/zinc/18/40/26/841184026.db2.gz OGXXRXLITMDXOJ-IRXDYDNUSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(=C)C)C1CC1 ZINC001269079586 841184234 /nfs/dbraw/zinc/18/42/34/841184234.db2.gz OGXXRXLITMDXOJ-SJORKVTESA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(=C)C)C1CC1 ZINC001269079586 841184237 /nfs/dbraw/zinc/18/42/37/841184237.db2.gz OGXXRXLITMDXOJ-SJORKVTESA-N 2 1 303.450 1.535 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269347681 841548557 /nfs/dbraw/zinc/54/85/57/841548557.db2.gz BPQZOXSFOTZUNR-KRWDZBQOSA-N 2 1 316.449 1.918 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269347681 841548565 /nfs/dbraw/zinc/54/85/65/841548565.db2.gz BPQZOXSFOTZUNR-KRWDZBQOSA-N 2 1 316.449 1.918 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001270083860 842279889 /nfs/dbraw/zinc/27/98/89/842279889.db2.gz SGZKXCJUGMEKIS-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001270188262 842366545 /nfs/dbraw/zinc/36/65/45/842366545.db2.gz ONWOWFXFFINYAQ-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001270885318 843011864 /nfs/dbraw/zinc/01/18/64/843011864.db2.gz GQRUCJHOZVPLRM-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)CCCCN2Cc1cnc(C)n1C ZINC001272773007 847406114 /nfs/dbraw/zinc/40/61/14/847406114.db2.gz ZPDQRPRRJHKEFZ-QGZVFWFLSA-N 2 1 302.422 1.872 20 30 DDEDMP C=C(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC001273031229 847815042 /nfs/dbraw/zinc/81/50/42/847815042.db2.gz VIUFGYBYPGYATQ-SFHVURJKSA-N 2 1 321.465 1.113 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238687 848165314 /nfs/dbraw/zinc/16/53/14/848165314.db2.gz KZRVRTXEFWCMPD-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238687 848165326 /nfs/dbraw/zinc/16/53/26/848165326.db2.gz KZRVRTXEFWCMPD-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238687 848165328 /nfs/dbraw/zinc/16/53/28/848165328.db2.gz KZRVRTXEFWCMPD-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034239631 848167098 /nfs/dbraw/zinc/16/70/98/848167098.db2.gz ZUSYFWSEXNGGCN-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239631 848167101 /nfs/dbraw/zinc/16/71/01/848167101.db2.gz ZUSYFWSEXNGGCN-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239631 848167106 /nfs/dbraw/zinc/16/71/06/848167106.db2.gz ZUSYFWSEXNGGCN-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001273143800 848557239 /nfs/dbraw/zinc/55/72/39/848557239.db2.gz LVITYBCZXCPOOU-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001273143800 848557244 /nfs/dbraw/zinc/55/72/44/848557244.db2.gz LVITYBCZXCPOOU-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273143800 848557249 /nfs/dbraw/zinc/55/72/49/848557249.db2.gz LVITYBCZXCPOOU-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273143800 848557254 /nfs/dbraw/zinc/55/72/54/848557254.db2.gz LVITYBCZXCPOOU-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001273475830 851002515 /nfs/dbraw/zinc/00/25/15/851002515.db2.gz UEDRUEWBBALZSI-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001273475830 851002521 /nfs/dbraw/zinc/00/25/21/851002521.db2.gz UEDRUEWBBALZSI-ZWKOTPCHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001273475827 851002723 /nfs/dbraw/zinc/00/27/23/851002723.db2.gz UEDRUEWBBALZSI-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001273475827 851002734 /nfs/dbraw/zinc/00/27/34/851002734.db2.gz UEDRUEWBBALZSI-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001273894760 851479235 /nfs/dbraw/zinc/47/92/35/851479235.db2.gz WFMBQYITCLSIDZ-SJLPKXTDSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001274437884 852267262 /nfs/dbraw/zinc/26/72/62/852267262.db2.gz YJPXSIXYDZFKGB-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546761 856958310 /nfs/dbraw/zinc/95/83/10/856958310.db2.gz SQVSAYAAMALFNA-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072732129 857649015 /nfs/dbraw/zinc/64/90/15/857649015.db2.gz XPMGYAPUCIAYER-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072732129 857649023 /nfs/dbraw/zinc/64/90/23/857649023.db2.gz XPMGYAPUCIAYER-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072732129 857649027 /nfs/dbraw/zinc/64/90/27/857649027.db2.gz XPMGYAPUCIAYER-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072940218 857914494 /nfs/dbraw/zinc/91/44/94/857914494.db2.gz REMMFVMNUBWMAK-UHFFFAOYSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001072940218 857914502 /nfs/dbraw/zinc/91/45/02/857914502.db2.gz REMMFVMNUBWMAK-UHFFFAOYSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001073457223 858354067 /nfs/dbraw/zinc/35/40/67/858354067.db2.gz GXHCBOWCBMKPRO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073457223 858354077 /nfs/dbraw/zinc/35/40/77/858354077.db2.gz GXHCBOWCBMKPRO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001073457223 858354083 /nfs/dbraw/zinc/35/40/83/858354083.db2.gz GXHCBOWCBMKPRO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122219881 858717790 /nfs/dbraw/zinc/71/77/90/858717790.db2.gz MMNNEJRWLXDQDU-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122219881 858717796 /nfs/dbraw/zinc/71/77/96/858717796.db2.gz MMNNEJRWLXDQDU-LMBQMVEXSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546579 881441323 /nfs/dbraw/zinc/44/13/23/881441323.db2.gz NVIILRGZIXUBNO-WBVHZDCISA-N 2 1 307.482 1.979 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC001139103032 860288658 /nfs/dbraw/zinc/28/86/58/860288658.db2.gz SBSHZWNLYBAFBG-UHFFFAOYSA-N 2 1 317.481 1.818 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](F)CC)C1 ZINC001276995393 881526491 /nfs/dbraw/zinc/52/64/91/881526491.db2.gz FJDCYPQQVXEILH-VGWMRTNUSA-N 2 1 309.429 1.317 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](F)CC)C1 ZINC001276995393 881526501 /nfs/dbraw/zinc/52/65/01/881526501.db2.gz FJDCYPQQVXEILH-VGWMRTNUSA-N 2 1 309.429 1.317 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152528397 863415996 /nfs/dbraw/zinc/41/59/96/863415996.db2.gz GKBSNAQJMPNKRP-INIZCTEOSA-N 2 1 305.422 1.198 20 30 DDEDMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001329515461 863706622 /nfs/dbraw/zinc/70/66/22/863706622.db2.gz NFIOATNFRRPFLU-DOTOQJQBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001329515461 863706630 /nfs/dbraw/zinc/70/66/30/863706630.db2.gz NFIOATNFRRPFLU-DOTOQJQBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001329515461 863706636 /nfs/dbraw/zinc/70/66/36/863706636.db2.gz NFIOATNFRRPFLU-DOTOQJQBSA-N 2 1 305.466 1.853 20 30 DDEDMP CC1(C#N)CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)C1 ZINC001157693702 864057053 /nfs/dbraw/zinc/05/70/53/864057053.db2.gz AUGITHQGQBLPJU-INIZCTEOSA-N 2 1 324.428 1.080 20 30 DDEDMP CC1(C#N)CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)C1 ZINC001157693702 864057067 /nfs/dbraw/zinc/05/70/67/864057067.db2.gz AUGITHQGQBLPJU-INIZCTEOSA-N 2 1 324.428 1.080 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158036278 864373624 /nfs/dbraw/zinc/37/36/24/864373624.db2.gz BHYXUZZLIJMRBS-HOTGVXAUSA-N 2 1 309.454 1.159 20 30 DDEDMP CC(C)[N@H+]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C[C@@H]1C ZINC001158493717 864687986 /nfs/dbraw/zinc/68/79/86/864687986.db2.gz HZZUSPHDTABWAP-AWEZNQCLSA-N 2 1 313.449 1.908 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](CC#C)CC1 ZINC001158914032 864973438 /nfs/dbraw/zinc/97/34/38/864973438.db2.gz KBLDTGXRMZTHEU-GOSISDBHSA-N 2 1 315.461 1.278 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001331267844 864977482 /nfs/dbraw/zinc/97/74/82/864977482.db2.gz JMKLGZXHBIIOBV-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001331267844 864977487 /nfs/dbraw/zinc/97/74/87/864977487.db2.gz JMKLGZXHBIIOBV-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332033322 865518740 /nfs/dbraw/zinc/51/87/40/865518740.db2.gz ULTXPCUHENZNJA-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H]1C ZINC001332204598 865665572 /nfs/dbraw/zinc/66/55/72/865665572.db2.gz HSTKCCUHIXXXBA-GOEBONIOSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169047 865707505 /nfs/dbraw/zinc/70/75/05/865707505.db2.gz HKMOCDGGUKDQHR-ZWKOTPCHSA-N 2 1 317.477 1.878 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001160367716 865800956 /nfs/dbraw/zinc/80/09/56/865800956.db2.gz USYSTNFNYDYCOU-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC(C)C)C(C)(C)C1 ZINC001332386815 865806384 /nfs/dbraw/zinc/80/63/84/865806384.db2.gz GUYRQKMOOFDXLK-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC(C)C)C(C)(C)C1 ZINC001332386815 865806395 /nfs/dbraw/zinc/80/63/95/865806395.db2.gz GUYRQKMOOFDXLK-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CC ZINC001323147681 866383028 /nfs/dbraw/zinc/38/30/28/866383028.db2.gz HMWBIFPGJQHHOP-HZPDHXFCSA-N 2 1 302.422 1.432 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CNC(NC[C@H]1CCCCO1)=[NH+]C(C)(C)C ZINC001335316826 868222588 /nfs/dbraw/zinc/22/25/88/868222588.db2.gz MVMORNZVVDCUMP-HUUCEWRRSA-N 2 1 310.486 1.983 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001165471827 869613459 /nfs/dbraw/zinc/61/34/59/869613459.db2.gz BFBTYCUPKDIAOP-KRWDZBQOSA-N 2 1 319.493 1.864 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC001338610289 870071517 /nfs/dbraw/zinc/07/15/17/870071517.db2.gz QNRVOWMPLZRALC-INIZCTEOSA-N 2 1 320.481 1.635 20 30 DDEDMP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001317032503 870139596 /nfs/dbraw/zinc/13/95/96/870139596.db2.gz FIOJNZPZRPQPOW-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001317032503 870139604 /nfs/dbraw/zinc/13/96/04/870139604.db2.gz FIOJNZPZRPQPOW-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317032503 870139611 /nfs/dbraw/zinc/13/96/11/870139611.db2.gz FIOJNZPZRPQPOW-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317032503 870139625 /nfs/dbraw/zinc/13/96/25/870139625.db2.gz FIOJNZPZRPQPOW-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001317254239 870541513 /nfs/dbraw/zinc/54/15/13/870541513.db2.gz HYWSHLJSUOYLCV-JSGCOSHPSA-N 2 1 313.392 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001317254239 870541518 /nfs/dbraw/zinc/54/15/18/870541518.db2.gz HYWSHLJSUOYLCV-JSGCOSHPSA-N 2 1 313.392 1.224 20 30 DDEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317409585 870778203 /nfs/dbraw/zinc/77/82/03/870778203.db2.gz RCAURKYIWDAXDL-NXHRZFHOSA-N 2 1 313.445 1.449 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001316682387 871039244 /nfs/dbraw/zinc/03/92/44/871039244.db2.gz AVAVJEIIGRMEBT-RDJZCZTQSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461499 871566774 /nfs/dbraw/zinc/56/67/74/871566774.db2.gz LGYBLBAJAHFIOH-OAHLLOKOSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001317844769 871581952 /nfs/dbraw/zinc/58/19/52/871581952.db2.gz DIEHDTAVILUNBN-OAHLLOKOSA-N 2 1 323.400 1.294 20 30 DDEDMP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317851730 871591611 /nfs/dbraw/zinc/59/16/11/871591611.db2.gz AEEGAPKWEUPIAE-KRWDZBQOSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317851730 871591620 /nfs/dbraw/zinc/59/16/20/871591620.db2.gz AEEGAPKWEUPIAE-KRWDZBQOSA-N 2 1 323.481 1.455 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001316771922 871884990 /nfs/dbraw/zinc/88/49/90/871884990.db2.gz AZMSNRIJSQAZOG-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001479240127 872050011 /nfs/dbraw/zinc/05/00/11/872050011.db2.gz ZYJALVRPYWHYTF-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001479240127 872050033 /nfs/dbraw/zinc/05/00/33/872050033.db2.gz ZYJALVRPYWHYTF-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479240127 872050055 /nfs/dbraw/zinc/05/00/55/872050055.db2.gz ZYJALVRPYWHYTF-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001479240127 872050077 /nfs/dbraw/zinc/05/00/77/872050077.db2.gz ZYJALVRPYWHYTF-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)[C@H]1C ZINC001316796278 872060366 /nfs/dbraw/zinc/06/03/66/872060366.db2.gz HOVCQSKCAJYJEV-BPQIPLTHSA-N 2 1 313.445 1.892 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001316796278 872060386 /nfs/dbraw/zinc/06/03/86/872060386.db2.gz HOVCQSKCAJYJEV-BPQIPLTHSA-N 2 1 313.445 1.892 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)[C@H]1C ZINC001316796278 872060407 /nfs/dbraw/zinc/06/04/07/872060407.db2.gz HOVCQSKCAJYJEV-BPQIPLTHSA-N 2 1 313.445 1.892 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281950 872183915 /nfs/dbraw/zinc/18/39/15/872183915.db2.gz PJGRAYMOBVJRIK-NVXWUHKLSA-N 2 1 323.481 1.215 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCOCC)CC1 ZINC001318957037 872364275 /nfs/dbraw/zinc/36/42/75/872364275.db2.gz WKVCEPUTUFNARB-ULQDDVLXSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCOCC)CC1 ZINC001318957037 872364292 /nfs/dbraw/zinc/36/42/92/872364292.db2.gz WKVCEPUTUFNARB-ULQDDVLXSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001207001436 872911530 /nfs/dbraw/zinc/91/15/30/872911530.db2.gz YKHIDZVIPLOIAF-YYIAUSFCSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001207001436 872911532 /nfs/dbraw/zinc/91/15/32/872911532.db2.gz YKHIDZVIPLOIAF-YYIAUSFCSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001207001436 872911537 /nfs/dbraw/zinc/91/15/37/872911537.db2.gz YKHIDZVIPLOIAF-YYIAUSFCSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207008289 872922004 /nfs/dbraw/zinc/92/20/04/872922004.db2.gz VUEBDVCUGARCOP-BZUAXINKSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001207008289 872922012 /nfs/dbraw/zinc/92/20/12/872922012.db2.gz VUEBDVCUGARCOP-BZUAXINKSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC=C)C[C@H]1C ZINC001207583578 873404724 /nfs/dbraw/zinc/40/47/24/873404724.db2.gz XWFMIDYYJYNSCQ-ZACQAIPSSA-N 2 1 303.450 1.487 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281640 873954707 /nfs/dbraw/zinc/95/47/07/873954707.db2.gz SBESAQGTFZROBR-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208331894 874020500 /nfs/dbraw/zinc/02/05/00/874020500.db2.gz YEZPXQYYFNYUSX-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCOCC)C1 ZINC001208356296 874052489 /nfs/dbraw/zinc/05/24/89/874052489.db2.gz OEESSAYYHXUHJR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCOCC)C1 ZINC001208356296 874052507 /nfs/dbraw/zinc/05/25/07/874052507.db2.gz OEESSAYYHXUHJR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411669 874122389 /nfs/dbraw/zinc/12/23/89/874122389.db2.gz ZVDDMJJAOLBGQD-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411669 874122395 /nfs/dbraw/zinc/12/23/95/874122395.db2.gz ZVDDMJJAOLBGQD-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001378410627 874830848 /nfs/dbraw/zinc/83/08/48/874830848.db2.gz IGFASQCIXYLYGM-CZUORRHYSA-N 2 1 313.873 1.955 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213916636 876101345 /nfs/dbraw/zinc/10/13/45/876101345.db2.gz BANYJYMCOJTXTF-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001379287386 876744232 /nfs/dbraw/zinc/74/42/32/876744232.db2.gz QIIIEIYKTXTJAX-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C[N@H+]1CCC[C@H]1CCNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220251915 878855783 /nfs/dbraw/zinc/85/57/83/878855783.db2.gz JNGMZQACCUDHOG-HOTGVXAUSA-N 2 1 300.406 1.029 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001380169888 878960022 /nfs/dbraw/zinc/96/00/22/878960022.db2.gz HPBQMPFCEZYFPU-UHFFFAOYSA-N 2 1 320.462 1.698 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979774 879422802 /nfs/dbraw/zinc/42/28/02/879422802.db2.gz UWAKPNHUMICGEM-CVEARBPZSA-N 2 1 322.453 1.323 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220979774 879422810 /nfs/dbraw/zinc/42/28/10/879422810.db2.gz UWAKPNHUMICGEM-CVEARBPZSA-N 2 1 322.453 1.323 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001357430286 879968118 /nfs/dbraw/zinc/96/81/18/879968118.db2.gz FOPCXXMJDOYJGW-HZPDHXFCSA-N 2 1 310.486 1.060 20 30 DDEDMP N#Cc1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(Cl)c1 ZINC001222104803 880256980 /nfs/dbraw/zinc/25/69/80/880256980.db2.gz LJOWXVDXPQZMEL-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001223258418 880889760 /nfs/dbraw/zinc/88/97/60/880889760.db2.gz JGTJDAYBDBPDBF-HNNXBMFYSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](C)CC2)C1 ZINC001276888271 880948603 /nfs/dbraw/zinc/94/86/03/880948603.db2.gz VPBBRIUMPMTAAD-CRAIPNDOSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228166901 883371485 /nfs/dbraw/zinc/37/14/85/883371485.db2.gz CYRPRNHUSIKUGA-BRWVUGGUSA-N 2 1 321.465 1.136 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228166901 883371504 /nfs/dbraw/zinc/37/15/04/883371504.db2.gz CYRPRNHUSIKUGA-BRWVUGGUSA-N 2 1 321.465 1.136 20 30 DDEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001277513701 885650820 /nfs/dbraw/zinc/65/08/20/885650820.db2.gz FBTKBRNMHZRHKH-OAHLLOKOSA-N 2 1 320.437 1.005 20 30 DDEDMP C=CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277513701 885650824 /nfs/dbraw/zinc/65/08/24/885650824.db2.gz FBTKBRNMHZRHKH-OAHLLOKOSA-N 2 1 320.437 1.005 20 30 DDEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001277513701 885650826 /nfs/dbraw/zinc/65/08/26/885650826.db2.gz FBTKBRNMHZRHKH-OAHLLOKOSA-N 2 1 320.437 1.005 20 30 DDEDMP C#CCCN1CC[C@H]1CN(C)C(=O)Cc1cn2c(n1)CCCC2 ZINC001234437377 887970942 /nfs/dbraw/zinc/97/09/42/887970942.db2.gz VSMWVBNWFLJUDH-INIZCTEOSA-N 2 1 314.433 1.318 20 30 DDEDMP C[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277959701 888852447 /nfs/dbraw/zinc/85/24/47/888852447.db2.gz BJGJYVCSBXQHNS-OIISXLGYSA-N 2 1 316.449 1.421 20 30 DDEDMP C[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277959701 888852461 /nfs/dbraw/zinc/85/24/61/888852461.db2.gz BJGJYVCSBXQHNS-OIISXLGYSA-N 2 1 316.449 1.421 20 30 DDEDMP C[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001277959701 888852482 /nfs/dbraw/zinc/85/24/82/888852482.db2.gz BJGJYVCSBXQHNS-OIISXLGYSA-N 2 1 316.449 1.421 20 30 DDEDMP C[NH+]1CCC([NH+]2CCC(C(=O)N3CC(CC#N)C3)CC2)CC1 ZINC001278096159 889654956 /nfs/dbraw/zinc/65/49/56/889654956.db2.gz GVKWZLORDDHYEP-UHFFFAOYSA-N 2 1 304.438 1.165 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001365982844 892123943 /nfs/dbraw/zinc/12/39/43/892123943.db2.gz LBNATPLIVVHVFQ-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001365982844 892123946 /nfs/dbraw/zinc/12/39/46/892123946.db2.gz LBNATPLIVVHVFQ-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP N#Cc1ccc2c(c1)c(CC[NH3+])cn2[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246325621 892539136 /nfs/dbraw/zinc/53/91/36/892539136.db2.gz LQAGNVKXQNDMEE-HNNXBMFYSA-N 2 1 309.417 1.281 20 30 DDEDMP N#C[C@@H]1C[C@H]([N@H+]2CC[C@@]3(c4ccccc4)CC[NH2+]C[C@@H]3C2)CCN1 ZINC001246687314 892786627 /nfs/dbraw/zinc/78/66/27/892786627.db2.gz WGLQCTOWCCWKJM-IYWMVGAKSA-N 2 1 324.472 1.884 20 30 DDEDMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001248195233 893563817 /nfs/dbraw/zinc/56/38/17/893563817.db2.gz UAYLJWCBYILEJG-LBPRGKRZSA-N 2 1 300.366 1.735 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cccc(C#N)c1 ZINC001366518859 893828770 /nfs/dbraw/zinc/82/87/70/893828770.db2.gz JZLCRPWUQPKOTE-MRXNPFEDSA-N 2 1 300.406 1.200 20 30 DDEDMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC001366518859 893828784 /nfs/dbraw/zinc/82/87/84/893828784.db2.gz JZLCRPWUQPKOTE-MRXNPFEDSA-N 2 1 300.406 1.200 20 30 DDEDMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cccc(C#N)c1 ZINC001366518859 893828807 /nfs/dbraw/zinc/82/88/07/893828807.db2.gz JZLCRPWUQPKOTE-MRXNPFEDSA-N 2 1 300.406 1.200 20 30 DDEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278569946 894291450 /nfs/dbraw/zinc/29/14/50/894291450.db2.gz AWPCQMFGWWJATB-STQMWFEESA-N 2 1 306.410 1.410 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001366639578 894397686 /nfs/dbraw/zinc/39/76/86/894397686.db2.gz QSISMVXEDYKAHA-KRWDZBQOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001278653954 895042609 /nfs/dbraw/zinc/04/26/09/895042609.db2.gz QCLZJQYXHKWPMO-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001278653954 895042623 /nfs/dbraw/zinc/04/26/23/895042623.db2.gz QCLZJQYXHKWPMO-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278653954 895042638 /nfs/dbraw/zinc/04/26/38/895042638.db2.gz QCLZJQYXHKWPMO-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278653954 895042651 /nfs/dbraw/zinc/04/26/51/895042651.db2.gz QCLZJQYXHKWPMO-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001278828198 896667546 /nfs/dbraw/zinc/66/75/46/896667546.db2.gz LWJGSPXEICEPPP-GOSISDBHSA-N 2 1 317.433 1.101 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C(C)(C)C ZINC001279015011 897844602 /nfs/dbraw/zinc/84/46/02/897844602.db2.gz GVWPZVNQBFMPHJ-HNNXBMFYSA-N 2 1 311.470 1.405 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CCOC ZINC001279055953 897970004 /nfs/dbraw/zinc/97/00/04/897970004.db2.gz HUWZOLVGUMMIRJ-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CCOC ZINC001279055953 897970017 /nfs/dbraw/zinc/97/00/17/897970017.db2.gz HUWZOLVGUMMIRJ-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001264558067 901182925 /nfs/dbraw/zinc/18/29/25/901182925.db2.gz AJWZCYATPFFKTP-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265207697 901705498 /nfs/dbraw/zinc/70/54/98/901705498.db2.gz KWPYEVBVNPVSFZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265207697 901705509 /nfs/dbraw/zinc/70/55/09/901705509.db2.gz KWPYEVBVNPVSFZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265207697 901705519 /nfs/dbraw/zinc/70/55/19/901705519.db2.gz KWPYEVBVNPVSFZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265207697 901705533 /nfs/dbraw/zinc/70/55/33/901705533.db2.gz KWPYEVBVNPVSFZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001391592485 902089491 /nfs/dbraw/zinc/08/94/91/902089491.db2.gz IIYPUPCJPOEUFZ-IAGOWNOFSA-N 2 1 314.433 1.589 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1)[NH+](C)C ZINC001391592485 902089497 /nfs/dbraw/zinc/08/94/97/902089497.db2.gz IIYPUPCJPOEUFZ-IAGOWNOFSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001265526046 902095257 /nfs/dbraw/zinc/09/52/57/902095257.db2.gz QDHVLNRXAZNFOY-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001265526046 902095267 /nfs/dbraw/zinc/09/52/67/902095267.db2.gz QDHVLNRXAZNFOY-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001265526046 902095277 /nfs/dbraw/zinc/09/52/77/902095277.db2.gz QDHVLNRXAZNFOY-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265615975 902207072 /nfs/dbraw/zinc/20/70/72/902207072.db2.gz SDTAZJRAOXAOKV-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001265786641 902407970 /nfs/dbraw/zinc/40/79/70/902407970.db2.gz RMKNSUWCGVMMLY-PBHICJAKSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001265786641 902407979 /nfs/dbraw/zinc/40/79/79/902407979.db2.gz RMKNSUWCGVMMLY-PBHICJAKSA-N 2 1 317.408 1.518 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001280777277 904018759 /nfs/dbraw/zinc/01/87/59/904018759.db2.gz PUDVDUQRNHHZOS-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001371419028 904938499 /nfs/dbraw/zinc/93/84/99/904938499.db2.gz AATKQGMESKWOPT-GJZGRUSLSA-N 2 1 314.433 1.494 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001371476953 905064732 /nfs/dbraw/zinc/06/47/32/905064732.db2.gz XANAYKYJCNLXFR-SWLSCSKDSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001282677307 905941825 /nfs/dbraw/zinc/94/18/25/905941825.db2.gz ZTGHTNRDKRWCPV-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001282677307 905941834 /nfs/dbraw/zinc/94/18/34/905941834.db2.gz ZTGHTNRDKRWCPV-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001282677307 905941846 /nfs/dbraw/zinc/94/18/46/905941846.db2.gz ZTGHTNRDKRWCPV-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001283102260 906631809 /nfs/dbraw/zinc/63/18/09/906631809.db2.gz INNRMRPQFAQJAU-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001283102260 906631818 /nfs/dbraw/zinc/63/18/18/906631818.db2.gz INNRMRPQFAQJAU-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000078210279 353506124 /nfs/dbraw/zinc/50/61/24/353506124.db2.gz PLOVKJADOGKINR-RCCFBDPRSA-N 2 1 315.461 1.274 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)nc2ccccc21 ZINC000596424268 356875179 /nfs/dbraw/zinc/87/51/79/356875179.db2.gz FFQMINGGDBOMMW-UHFFFAOYSA-N 2 1 311.433 1.824 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)nc2ccccc21 ZINC000596424268 356875182 /nfs/dbraw/zinc/87/51/82/356875182.db2.gz FFQMINGGDBOMMW-UHFFFAOYSA-N 2 1 311.433 1.824 20 30 DDEDMP C[N@@H+](C[C@H](O)COc1ccccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000599300479 357882881 /nfs/dbraw/zinc/88/28/81/357882881.db2.gz ZUVKNFCXADBAHG-WBVHZDCISA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@H](O)COc1ccccc1C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000599300479 357882885 /nfs/dbraw/zinc/88/28/85/357882885.db2.gz ZUVKNFCXADBAHG-WBVHZDCISA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@H](O)COc1ccccc1C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000599300479 357882889 /nfs/dbraw/zinc/88/28/89/357882889.db2.gz ZUVKNFCXADBAHG-WBVHZDCISA-N 2 1 317.433 1.572 20 30 DDEDMP COCC[N@@H+](C)C[C@H](O)CNC1(c2cccc(C#N)c2)CC1 ZINC000565549016 304075715 /nfs/dbraw/zinc/07/57/15/304075715.db2.gz KYKVZJLWMFSIMS-MRXNPFEDSA-N 2 1 303.406 1.076 20 30 DDEDMP COCCN(C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000565549016 304075718 /nfs/dbraw/zinc/07/57/18/304075718.db2.gz KYKVZJLWMFSIMS-MRXNPFEDSA-N 2 1 303.406 1.076 20 30 DDEDMP CC[N@@H+](C)C[C@@H](O)CN1CCC(Nc2ccccc2C#N)CC1 ZINC000602898620 359280065 /nfs/dbraw/zinc/28/00/65/359280065.db2.gz HIBYRKMMDYUHPK-QGZVFWFLSA-N 2 1 316.449 1.747 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1 ZINC000611515367 360743403 /nfs/dbraw/zinc/74/34/03/360743403.db2.gz RTTLVAWBIMPPME-INMHGKMJSA-N 2 1 310.401 1.205 20 30 DDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCn2ccnc2C1 ZINC000330177492 223083971 /nfs/dbraw/zinc/08/39/71/223083971.db2.gz KTFWWRBCMULYEF-KGLIPLIRSA-N 2 1 305.426 1.576 20 30 DDEDMP C[NH+]=C(NCc1ccco1)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000103338382 407337277 /nfs/dbraw/zinc/33/72/77/407337277.db2.gz UERDAVIXUUVHER-MRXNPFEDSA-N 2 1 321.469 1.217 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000187152824 407824717 /nfs/dbraw/zinc/82/47/17/407824717.db2.gz IPIHMNQTAFEBBX-UHFFFAOYSA-N 2 1 324.469 1.048 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264322429 408445674 /nfs/dbraw/zinc/44/56/74/408445674.db2.gz YAXPLSRUZWWJBK-TZMCWYRMSA-N 2 1 308.426 1.664 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000176587105 408399490 /nfs/dbraw/zinc/39/94/90/408399490.db2.gz MAFXWRMZNWCROU-INIZCTEOSA-N 2 1 322.497 1.914 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCn2cc[nH+]c2C)CC1 ZINC000264406671 408476578 /nfs/dbraw/zinc/47/65/78/408476578.db2.gz QEPUIAROTUJAMJ-UHFFFAOYSA-N 2 1 305.426 1.531 20 30 DDEDMP CCc1cccc(NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)c1 ZINC000288790623 409180214 /nfs/dbraw/zinc/18/02/14/409180214.db2.gz XSKOPXZFSFRPGB-UHFFFAOYSA-N 2 1 305.470 1.859 20 30 DDEDMP CCc1cccc(NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)c1 ZINC000288790623 409180215 /nfs/dbraw/zinc/18/02/15/409180215.db2.gz XSKOPXZFSFRPGB-UHFFFAOYSA-N 2 1 305.470 1.859 20 30 DDEDMP CC[C@@H]1CN(C(NC[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C)CCS1 ZINC000261995567 222267699 /nfs/dbraw/zinc/26/76/99/222267699.db2.gz SURSGDFUILKHOM-UKRRQHHQSA-N 2 1 310.511 1.874 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261671270 222254123 /nfs/dbraw/zinc/25/41/23/222254123.db2.gz CAAMZGJVZPEWGA-ZMSDIMECSA-N 3 1 321.513 1.366 20 30 DDEDMP C[NH+]=C(NCC[NH+]1CCC[C@H](C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261671270 222254126 /nfs/dbraw/zinc/25/41/26/222254126.db2.gz CAAMZGJVZPEWGA-ZMSDIMECSA-N 3 1 321.513 1.366 20 30 DDEDMP C[NH+]=C(NCC[NH+]1CCC[C@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261671270 222254129 /nfs/dbraw/zinc/25/41/29/222254129.db2.gz CAAMZGJVZPEWGA-ZMSDIMECSA-N 3 1 321.513 1.366 20 30 DDEDMP C[NH+]=C(NCC[N@@H+]1CCC[C@H](C)C1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261671270 222254132 /nfs/dbraw/zinc/25/41/32/222254132.db2.gz CAAMZGJVZPEWGA-ZMSDIMECSA-N 2 1 321.513 1.366 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261671270 222254135 /nfs/dbraw/zinc/25/41/35/222254135.db2.gz CAAMZGJVZPEWGA-ZMSDIMECSA-N 2 1 321.513 1.366 20 30 DDEDMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@@]2(CCOC2)C1 ZINC000261944919 222262014 /nfs/dbraw/zinc/26/20/14/222262014.db2.gz FOLRMXJZXKMWKD-FUHWJXTLSA-N 2 1 322.497 1.939 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cnc2ccccc21 ZINC000264146128 222325748 /nfs/dbraw/zinc/32/57/48/222325748.db2.gz XZWUTIOGVNLRSD-AWEZNQCLSA-N 2 1 314.437 1.425 20 30 DDEDMP COc1cccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+]2CCCC2)c1 ZINC000262663294 222288903 /nfs/dbraw/zinc/28/89/03/222288903.db2.gz NPJCVLHFWBDRMY-XJKSGUPXSA-N 2 1 302.422 1.769 20 30 DDEDMP C[NH+]=C(NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)NCc1ccco1 ZINC000264107810 222319269 /nfs/dbraw/zinc/31/92/69/222319269.db2.gz ZZZHZBMCZOREGY-OKILXGFUSA-N 2 1 308.426 1.444 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccccc1F ZINC000267443678 222385281 /nfs/dbraw/zinc/38/52/81/222385281.db2.gz PPKUTNDITMPQPV-KBPBESRZSA-N 2 1 322.428 1.982 20 30 DDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccccc1 ZINC000267453656 222385742 /nfs/dbraw/zinc/38/57/42/222385742.db2.gz SCKKQHLJIQWRNE-OAHLLOKOSA-N 2 1 320.437 1.081 20 30 DDEDMP Cc1nsc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C#N ZINC000367939400 418660374 /nfs/dbraw/zinc/66/03/74/418660374.db2.gz UHVAHEZIOCCOHH-LBPRGKRZSA-N 2 1 305.451 1.904 20 30 DDEDMP Cc1nsc(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C#N ZINC000367939400 418660377 /nfs/dbraw/zinc/66/03/77/418660377.db2.gz UHVAHEZIOCCOHH-LBPRGKRZSA-N 2 1 305.451 1.904 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362105393 418748708 /nfs/dbraw/zinc/74/87/08/418748708.db2.gz HGJVPNCUCZDJBH-HUUCEWRRSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364992805 418830343 /nfs/dbraw/zinc/83/03/43/418830343.db2.gz FIAOPRKISXIUHH-HNNXBMFYSA-N 2 1 314.433 1.368 20 30 DDEDMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424137571 228233577 /nfs/dbraw/zinc/23/35/77/228233577.db2.gz CCMNHHADRDNEAJ-AWEZNQCLSA-N 2 1 317.393 1.146 20 30 DDEDMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471868115 420954021 /nfs/dbraw/zinc/95/40/21/420954021.db2.gz DDGBXZIOVCRFPH-QZTJIDSGSA-N 2 1 315.461 1.961 20 30 DDEDMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471868115 420954024 /nfs/dbraw/zinc/95/40/24/420954024.db2.gz DDGBXZIOVCRFPH-QZTJIDSGSA-N 2 1 315.461 1.961 20 30 DDEDMP C=CC[C@@]1(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662795880 424770735 /nfs/dbraw/zinc/77/07/35/424770735.db2.gz DZUAWQLKSWYDAT-SFHVURJKSA-N 2 1 323.481 1.502 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264081534 277218491 /nfs/dbraw/zinc/21/84/91/277218491.db2.gz HNWKAQDKMOTBKL-CYBMUJFWSA-N 2 1 310.467 1.511 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000972007311 695138330 /nfs/dbraw/zinc/13/83/30/695138330.db2.gz ZAUPEGXXKCBVRX-QGZVFWFLSA-N 2 1 313.445 1.570 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000972992863 695390144 /nfs/dbraw/zinc/39/01/44/695390144.db2.gz VGOVRJWIWJJNTB-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000972992863 695390145 /nfs/dbraw/zinc/39/01/45/695390145.db2.gz VGOVRJWIWJJNTB-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992863 695390146 /nfs/dbraw/zinc/39/01/46/695390146.db2.gz VGOVRJWIWJJNTB-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000972992863 695390148 /nfs/dbraw/zinc/39/01/48/695390148.db2.gz VGOVRJWIWJJNTB-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000974827127 695744039 /nfs/dbraw/zinc/74/40/39/695744039.db2.gz LCKYFGRPXINGTK-MRXNPFEDSA-N 2 1 310.401 1.798 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970414 695770193 /nfs/dbraw/zinc/77/01/93/695770193.db2.gz KDOBMKUXWUHGPC-LSDHHAIUSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970414 695770195 /nfs/dbraw/zinc/77/01/95/695770195.db2.gz KDOBMKUXWUHGPC-LSDHHAIUSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970414 695770197 /nfs/dbraw/zinc/77/01/97/695770197.db2.gz KDOBMKUXWUHGPC-LSDHHAIUSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970414 695770199 /nfs/dbraw/zinc/77/01/99/695770199.db2.gz KDOBMKUXWUHGPC-LSDHHAIUSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978968501 696481027 /nfs/dbraw/zinc/48/10/27/696481027.db2.gz DJIBHVFFJATOGV-MKZZRHPPSA-N 2 1 314.433 1.631 20 30 DDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000104174691 696619247 /nfs/dbraw/zinc/61/92/47/696619247.db2.gz WYUMGAYWENJTDO-CVEARBPZSA-N 2 1 309.502 1.307 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccn(C2CCCC2)n1 ZINC000119582053 696682450 /nfs/dbraw/zinc/68/24/50/696682450.db2.gz RHGFEGUDVNWUKD-INIZCTEOSA-N 2 1 318.469 1.887 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC1CC1)C2 ZINC000981819269 696930278 /nfs/dbraw/zinc/93/02/78/696930278.db2.gz VPSVYWRBVKEXSL-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC1CC1)C2 ZINC000981819269 696930280 /nfs/dbraw/zinc/93/02/80/696930280.db2.gz VPSVYWRBVKEXSL-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC1CC1)C2 ZINC000981819269 696930282 /nfs/dbraw/zinc/93/02/82/696930282.db2.gz VPSVYWRBVKEXSL-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000981819269 696930284 /nfs/dbraw/zinc/93/02/84/696930284.db2.gz VPSVYWRBVKEXSL-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000982052527 697016091 /nfs/dbraw/zinc/01/60/91/697016091.db2.gz NWGRFEHJTPLAME-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052527 697016095 /nfs/dbraw/zinc/01/60/95/697016095.db2.gz NWGRFEHJTPLAME-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC000982052527 697016098 /nfs/dbraw/zinc/01/60/98/697016098.db2.gz NWGRFEHJTPLAME-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982115843 697033729 /nfs/dbraw/zinc/03/37/29/697033729.db2.gz CVSWCJQSMMBDNQ-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000982165348 697046888 /nfs/dbraw/zinc/04/68/88/697046888.db2.gz BIULKLBARWKKFV-UHFFFAOYSA-N 2 1 319.453 1.169 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296699 697086848 /nfs/dbraw/zinc/08/68/48/697086848.db2.gz XRJGCRDRHIKBAL-RYQLBKOJSA-N 2 1 305.466 1.683 20 30 DDEDMP CCCCCCNC(=[NH2+])NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC000303881866 698609209 /nfs/dbraw/zinc/60/92/09/698609209.db2.gz LDTLXZACBCCDFS-INIZCTEOSA-N 2 1 311.518 1.745 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303883625 698609276 /nfs/dbraw/zinc/60/92/76/698609276.db2.gz IRMJXFVAMRZJHU-IXDOHACOSA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303883625 698609279 /nfs/dbraw/zinc/60/92/79/698609279.db2.gz IRMJXFVAMRZJHU-IXDOHACOSA-N 3 1 323.529 1.743 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303883625 698609282 /nfs/dbraw/zinc/60/92/82/698609282.db2.gz IRMJXFVAMRZJHU-IXDOHACOSA-N 3 1 323.529 1.743 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989562965 698668607 /nfs/dbraw/zinc/66/86/07/698668607.db2.gz TYXPJBZQYFOAOG-KGLIPLIRSA-N 2 1 315.845 1.040 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991362025 699306953 /nfs/dbraw/zinc/30/69/53/699306953.db2.gz QCTBEIYDYLVEFX-YFHUEUNASA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991362025 699306954 /nfs/dbraw/zinc/30/69/54/699306954.db2.gz QCTBEIYDYLVEFX-YFHUEUNASA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991362025 699306956 /nfs/dbraw/zinc/30/69/56/699306956.db2.gz QCTBEIYDYLVEFX-YFHUEUNASA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991362025 699306959 /nfs/dbraw/zinc/30/69/59/699306959.db2.gz QCTBEIYDYLVEFX-YFHUEUNASA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000730106273 699501728 /nfs/dbraw/zinc/50/17/28/699501728.db2.gz WXJNHOOMBDBCER-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000730106273 699501729 /nfs/dbraw/zinc/50/17/29/699501729.db2.gz WXJNHOOMBDBCER-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000730106273 699501730 /nfs/dbraw/zinc/50/17/30/699501730.db2.gz WXJNHOOMBDBCER-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000730106273 699501731 /nfs/dbraw/zinc/50/17/31/699501731.db2.gz WXJNHOOMBDBCER-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CN(C)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)cc1 ZINC000731930742 699541799 /nfs/dbraw/zinc/54/17/99/699541799.db2.gz KANBTOOSQSSEAW-UHFFFAOYSA-N 2 1 307.467 1.502 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCn2cc[nH+]c2C(C)C)CC1 ZINC000744390008 699947257 /nfs/dbraw/zinc/94/72/57/699947257.db2.gz JZUUPQKSPRUXKO-UHFFFAOYSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CCNC(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000771476340 701321073 /nfs/dbraw/zinc/32/10/73/701321073.db2.gz ZNZGXKPZLGRKPG-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000843106222 702820145 /nfs/dbraw/zinc/82/01/45/702820145.db2.gz YUMOXQYRTGECPH-DLBZAZTESA-N 2 1 305.422 1.274 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000858492839 704717911 /nfs/dbraw/zinc/71/79/11/704717911.db2.gz DOJCIOZUHZQIEK-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858492839 704717914 /nfs/dbraw/zinc/71/79/14/704717914.db2.gz DOJCIOZUHZQIEK-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858492839 704717917 /nfs/dbraw/zinc/71/79/17/704717917.db2.gz DOJCIOZUHZQIEK-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000836236979 707422899 /nfs/dbraw/zinc/42/28/99/707422899.db2.gz YEUGVKNIPYCLQN-CALCHBBNSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000836236979 707422901 /nfs/dbraw/zinc/42/29/01/707422901.db2.gz YEUGVKNIPYCLQN-CALCHBBNSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000836236979 707422904 /nfs/dbraw/zinc/42/29/04/707422904.db2.gz YEUGVKNIPYCLQN-CALCHBBNSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000884196777 708183536 /nfs/dbraw/zinc/18/35/36/708183536.db2.gz AVPUFHYDCNDZGN-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCC2)C1 ZINC000884196777 708183539 /nfs/dbraw/zinc/18/35/39/708183539.db2.gz AVPUFHYDCNDZGN-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000884199470 708185043 /nfs/dbraw/zinc/18/50/43/708185043.db2.gz AKUFGNOOPAYBNI-IRXDYDNUSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000884199470 708185045 /nfs/dbraw/zinc/18/50/45/708185045.db2.gz AKUFGNOOPAYBNI-IRXDYDNUSA-N 2 1 320.481 1.505 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884210766 708191881 /nfs/dbraw/zinc/19/18/81/708191881.db2.gz IZELOCOOCDBTLS-GYMHETDLSA-N 2 1 304.438 1.116 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](C)C1 ZINC000884226167 708199168 /nfs/dbraw/zinc/19/91/68/708199168.db2.gz MCUJPURNWGJYCS-HCBPCCMXSA-N 2 1 318.465 1.314 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC[C@H]21 ZINC000884328122 708247338 /nfs/dbraw/zinc/24/73/38/708247338.db2.gz JGOPRDRHHSJKMZ-MYPHYYIGSA-N 2 1 316.449 1.068 20 30 DDEDMP C[C@@H]1CNC(NN=C2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)=[NH+]1 ZINC000884448342 708301015 /nfs/dbraw/zinc/30/10/15/708301015.db2.gz YAWGHIFZNOJTBB-KMFMINBZSA-N 2 1 311.433 1.964 20 30 DDEDMP C#CCN(C(=O)NCC[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000897471447 708343172 /nfs/dbraw/zinc/34/31/72/708343172.db2.gz MKDJYQMBXIRDSL-HNNXBMFYSA-N 2 1 306.454 1.067 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000892852116 710512937 /nfs/dbraw/zinc/51/29/37/710512937.db2.gz VLNQVGUCOGUCMF-OAHLLOKOSA-N 2 1 308.470 1.668 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccsc1C#N ZINC000912302667 711268722 /nfs/dbraw/zinc/26/87/22/711268722.db2.gz GFVCXZWIODPNJO-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccsc1C#N ZINC000912302667 711268723 /nfs/dbraw/zinc/26/87/23/711268723.db2.gz GFVCXZWIODPNJO-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000905571463 712081708 /nfs/dbraw/zinc/08/17/08/712081708.db2.gz QRXWKXBXCHWYQV-AWEZNQCLSA-N 2 1 310.511 1.136 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000905571463 712081711 /nfs/dbraw/zinc/08/17/11/712081711.db2.gz QRXWKXBXCHWYQV-AWEZNQCLSA-N 2 1 310.511 1.136 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000963830710 717919434 /nfs/dbraw/zinc/91/94/34/717919434.db2.gz SKIMAUHTWMYORY-BHGSYNGZSA-N 2 1 319.449 1.053 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000922628532 714105314 /nfs/dbraw/zinc/10/53/14/714105314.db2.gz DZBCRHPQPMBHFP-UHFFFAOYSA-N 2 1 320.481 1.648 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923281587 714296160 /nfs/dbraw/zinc/29/61/60/714296160.db2.gz NKSGMTQGQYIKFN-KRWDZBQOSA-N 2 1 315.417 1.514 20 30 DDEDMP C=CCC[C@H](O)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000923344052 714321403 /nfs/dbraw/zinc/32/14/03/714321403.db2.gz ZFILCJIZEXKHLL-HOTGVXAUSA-N 2 1 318.465 1.691 20 30 DDEDMP C=CCC[C@H](O)C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000923344052 714321407 /nfs/dbraw/zinc/32/14/07/714321407.db2.gz ZFILCJIZEXKHLL-HOTGVXAUSA-N 2 1 318.465 1.691 20 30 DDEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000923409665 714346383 /nfs/dbraw/zinc/34/63/83/714346383.db2.gz QORHEQASXZTDCK-NXHRZFHOSA-N 2 1 315.417 1.229 20 30 DDEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C2 ZINC000923409665 714346384 /nfs/dbraw/zinc/34/63/84/714346384.db2.gz QORHEQASXZTDCK-NXHRZFHOSA-N 2 1 315.417 1.229 20 30 DDEDMP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)nc1 ZINC000925892474 714957364 /nfs/dbraw/zinc/95/73/64/714957364.db2.gz BNTSAFBJAQITGN-ARFHVFGLSA-N 2 1 315.421 1.112 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C(C)(C)C1 ZINC000940973957 717055803 /nfs/dbraw/zinc/05/58/03/717055803.db2.gz ZYVXVBUPIGHIHZ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973957 717055805 /nfs/dbraw/zinc/05/58/05/717055805.db2.gz ZYVXVBUPIGHIHZ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973957 717055808 /nfs/dbraw/zinc/05/58/08/717055808.db2.gz ZYVXVBUPIGHIHZ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973957 717055810 /nfs/dbraw/zinc/05/58/10/717055810.db2.gz ZYVXVBUPIGHIHZ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000940973957 717055811 /nfs/dbraw/zinc/05/58/11/717055811.db2.gz ZYVXVBUPIGHIHZ-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC[NH+](C)CC1 ZINC000961952499 717259032 /nfs/dbraw/zinc/25/90/32/717259032.db2.gz BWIOPBKPGJWNBY-VQFNDLOPSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](C)C1 ZINC000942171485 717521562 /nfs/dbraw/zinc/52/15/62/717521562.db2.gz AGWRXRHYSSXWLA-IRXDYDNUSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000963357426 717757684 /nfs/dbraw/zinc/75/76/84/717757684.db2.gz KEDKQYCPVZJXIR-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967203675 718790631 /nfs/dbraw/zinc/79/06/31/718790631.db2.gz GAZVWPGJNJTNCS-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967203675 718790632 /nfs/dbraw/zinc/79/06/32/718790632.db2.gz GAZVWPGJNJTNCS-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645058 718864269 /nfs/dbraw/zinc/86/42/69/718864269.db2.gz OKRYDQRBUPOGKO-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645058 718864271 /nfs/dbraw/zinc/86/42/71/718864271.db2.gz OKRYDQRBUPOGKO-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946645058 718864276 /nfs/dbraw/zinc/86/42/76/718864276.db2.gz OKRYDQRBUPOGKO-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771769 719265866 /nfs/dbraw/zinc/26/58/66/719265866.db2.gz RBSAQZRGBQSLMZ-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000947771769 719265868 /nfs/dbraw/zinc/26/58/68/719265868.db2.gz RBSAQZRGBQSLMZ-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1 ZINC000949472856 720111258 /nfs/dbraw/zinc/11/12/58/720111258.db2.gz PUGJKTSVPQJPLZ-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000949472856 720111260 /nfs/dbraw/zinc/11/12/60/720111260.db2.gz PUGJKTSVPQJPLZ-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000949472856 720111262 /nfs/dbraw/zinc/11/12/62/720111262.db2.gz PUGJKTSVPQJPLZ-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC000949472856 720111265 /nfs/dbraw/zinc/11/12/65/720111265.db2.gz PUGJKTSVPQJPLZ-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969866699 720540586 /nfs/dbraw/zinc/54/05/86/720540586.db2.gz ZFGOFBMBCVGLIP-PBHICJAKSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969866699 720540587 /nfs/dbraw/zinc/54/05/87/720540587.db2.gz ZFGOFBMBCVGLIP-PBHICJAKSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001023559767 735313350 /nfs/dbraw/zinc/31/33/50/735313350.db2.gz DYKDHMYOUKWQTM-OAHLLOKOSA-N 2 1 317.433 1.806 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707493 735408775 /nfs/dbraw/zinc/40/87/75/735408775.db2.gz ROSVBVMBSWAVEI-AWEZNQCLSA-N 2 1 300.406 1.223 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC001023761446 735448867 /nfs/dbraw/zinc/44/88/67/735448867.db2.gz ACTZHYLQYQTODQ-OAHLLOKOSA-N 2 1 309.429 1.129 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265152 733080701 /nfs/dbraw/zinc/08/07/01/733080701.db2.gz VUJMCHNRZYJMSS-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001021285594 733108015 /nfs/dbraw/zinc/10/80/15/733108015.db2.gz ONKYUEFHWIGLSY-FBVQUNGASA-N 2 1 315.461 1.772 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001021285594 733108017 /nfs/dbraw/zinc/10/80/17/733108017.db2.gz ONKYUEFHWIGLSY-FBVQUNGASA-N 2 1 315.461 1.772 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=C)C ZINC001021285594 733108022 /nfs/dbraw/zinc/10/80/22/733108022.db2.gz ONKYUEFHWIGLSY-FBVQUNGASA-N 2 1 315.461 1.772 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=C)C ZINC001021285594 733108023 /nfs/dbraw/zinc/10/80/23/733108023.db2.gz ONKYUEFHWIGLSY-FBVQUNGASA-N 2 1 315.461 1.772 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C)C1 ZINC001104306127 733420441 /nfs/dbraw/zinc/42/04/41/733420441.db2.gz MDMUMFPYLKUTPS-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC=C)C1 ZINC001104306127 733420443 /nfs/dbraw/zinc/42/04/43/733420443.db2.gz MDMUMFPYLKUTPS-ZACQAIPSSA-N 2 1 303.450 1.344 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001027897427 738785337 /nfs/dbraw/zinc/78/53/37/738785337.db2.gz NGMSMMCUFBWEOU-CZUORRHYSA-N 2 1 317.437 1.557 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001022197085 734430411 /nfs/dbraw/zinc/43/04/11/734430411.db2.gz XRRPKUSNQILICU-HLLBOEOZSA-N 2 1 321.465 1.443 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027924986 738817664 /nfs/dbraw/zinc/81/76/64/738817664.db2.gz OUAFYSSCINLYBF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027924986 738817670 /nfs/dbraw/zinc/81/76/70/738817670.db2.gz OUAFYSSCINLYBF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027924986 738817674 /nfs/dbraw/zinc/81/76/74/738817674.db2.gz OUAFYSSCINLYBF-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001022746318 734753890 /nfs/dbraw/zinc/75/38/90/734753890.db2.gz MPVUTQVZCGMUQR-XDNAFOTISA-N 2 1 313.445 1.755 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023451800 735247672 /nfs/dbraw/zinc/24/76/72/735247672.db2.gz TVJZUHLMONGCTJ-KRWDZBQOSA-N 2 1 317.477 1.714 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1ccnc1C ZINC001087318207 736085776 /nfs/dbraw/zinc/08/57/76/736085776.db2.gz SSNYAILWJJLVRK-HYVNUMGLSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087318207 736085781 /nfs/dbraw/zinc/08/57/81/736085781.db2.gz SSNYAILWJJLVRK-HYVNUMGLSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087318207 736085787 /nfs/dbraw/zinc/08/57/87/736085787.db2.gz SSNYAILWJJLVRK-HYVNUMGLSA-N 2 1 316.449 1.983 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001024813281 736108233 /nfs/dbraw/zinc/10/82/33/736108233.db2.gz YCJIHHAZZLZZFD-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024813281 736108236 /nfs/dbraw/zinc/10/82/36/736108236.db2.gz YCJIHHAZZLZZFD-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001024813281 736108238 /nfs/dbraw/zinc/10/82/38/736108238.db2.gz YCJIHHAZZLZZFD-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001020236259 737005682 /nfs/dbraw/zinc/00/56/82/737005682.db2.gz XJEWNEOXBPDTBX-DZKIICNBSA-N 2 1 307.438 1.053 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001008050760 737365985 /nfs/dbraw/zinc/36/59/85/737365985.db2.gz DHBLIFIGJCPFEW-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001028037181 738957827 /nfs/dbraw/zinc/95/78/27/738957827.db2.gz QEAKNWIATXYEMX-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037181 738957829 /nfs/dbraw/zinc/95/78/29/738957829.db2.gz QEAKNWIATXYEMX-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037181 738957830 /nfs/dbraw/zinc/95/78/30/738957830.db2.gz QEAKNWIATXYEMX-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105007935 737454712 /nfs/dbraw/zinc/45/47/12/737454712.db2.gz JDYSXSBCJQAGGI-YUELXQCFSA-N 2 1 313.873 1.765 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226468 739196835 /nfs/dbraw/zinc/19/68/35/739196835.db2.gz KTLQUMUQJDZIEF-QGZVFWFLSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001028226468 739196837 /nfs/dbraw/zinc/19/68/37/739196837.db2.gz KTLQUMUQJDZIEF-QGZVFWFLSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](C)CC)CC1 ZINC001028333192 739366711 /nfs/dbraw/zinc/36/67/11/739366711.db2.gz FULVCLLNMTZLTI-SJLPKXTDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001115729558 751456305 /nfs/dbraw/zinc/45/63/05/751456305.db2.gz KMLBMXKDZCTQIK-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595442 739764021 /nfs/dbraw/zinc/76/40/21/739764021.db2.gz YUVUPIZGDVNANV-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595442 739764023 /nfs/dbraw/zinc/76/40/23/739764023.db2.gz YUVUPIZGDVNANV-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595442 739764026 /nfs/dbraw/zinc/76/40/26/739764026.db2.gz YUVUPIZGDVNANV-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001029004180 740249259 /nfs/dbraw/zinc/24/92/59/740249259.db2.gz URMLSXCQXHUZNM-YFUKIHRRSA-N 2 1 323.868 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001029004418 740249805 /nfs/dbraw/zinc/24/98/05/740249805.db2.gz WQBYGXOVYQHNKZ-DLBZAZTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001029004432 740249881 /nfs/dbraw/zinc/24/98/81/740249881.db2.gz XHEDNCBOBWWMEH-DOTOQJQBSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001087572509 740659444 /nfs/dbraw/zinc/65/94/44/740659444.db2.gz UUDUZGUVHWWBCA-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700396 740712972 /nfs/dbraw/zinc/71/29/72/740712972.db2.gz KZCLCAPFBZKOIF-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700396 740712973 /nfs/dbraw/zinc/71/29/73/740712973.db2.gz KZCLCAPFBZKOIF-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700396 740712975 /nfs/dbraw/zinc/71/29/75/740712975.db2.gz KZCLCAPFBZKOIF-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700396 740712976 /nfs/dbraw/zinc/71/29/76/740712976.db2.gz KZCLCAPFBZKOIF-GVDBMIGSSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029758368 741277932 /nfs/dbraw/zinc/27/79/32/741277932.db2.gz WUWCCHBDKRQUAN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC2CCC2)C1 ZINC001029758368 741277934 /nfs/dbraw/zinc/27/79/34/741277934.db2.gz WUWCCHBDKRQUAN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029758368 741277935 /nfs/dbraw/zinc/27/79/35/741277935.db2.gz WUWCCHBDKRQUAN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001029758368 741277937 /nfs/dbraw/zinc/27/79/37/741277937.db2.gz WUWCCHBDKRQUAN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC2CCC2)C1 ZINC001029758368 741277940 /nfs/dbraw/zinc/27/79/40/741277940.db2.gz WUWCCHBDKRQUAN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001083500990 742400221 /nfs/dbraw/zinc/40/02/21/742400221.db2.gz QOZWRHQQRDGYDZ-KGLIPLIRSA-N 2 1 323.462 1.161 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815283 742438901 /nfs/dbraw/zinc/43/89/01/742438901.db2.gz HRPOVABXYMCCLN-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815283 742438904 /nfs/dbraw/zinc/43/89/04/742438904.db2.gz HRPOVABXYMCCLN-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815283 742438908 /nfs/dbraw/zinc/43/89/08/742438908.db2.gz HRPOVABXYMCCLN-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815283 742438910 /nfs/dbraw/zinc/43/89/10/742438910.db2.gz HRPOVABXYMCCLN-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076086190 742528629 /nfs/dbraw/zinc/52/86/29/742528629.db2.gz SJVVIOUWKQGHTR-GVDBMIGSSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174597 742584023 /nfs/dbraw/zinc/58/40/23/742584023.db2.gz SESAOAABFZAHNO-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174597 742584029 /nfs/dbraw/zinc/58/40/29/742584029.db2.gz SESAOAABFZAHNO-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174597 742584032 /nfs/dbraw/zinc/58/40/32/742584032.db2.gz SESAOAABFZAHNO-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001076174597 742584037 /nfs/dbraw/zinc/58/40/37/742584037.db2.gz SESAOAABFZAHNO-GVDBMIGSSA-N 2 1 321.465 1.204 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181517084 743245547 /nfs/dbraw/zinc/24/55/47/743245547.db2.gz FVURBNPJINDPLD-SFNKJDCFSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001181720476 743307070 /nfs/dbraw/zinc/30/70/70/743307070.db2.gz GIRJOZKTSMJDLG-ZHALLVOQSA-N 2 1 319.493 1.672 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860640 744244304 /nfs/dbraw/zinc/24/43/04/744244304.db2.gz VCVAMLBJAOSGAU-KEYYUXOJSA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860640 744244308 /nfs/dbraw/zinc/24/43/08/744244308.db2.gz VCVAMLBJAOSGAU-KEYYUXOJSA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860640 744244312 /nfs/dbraw/zinc/24/43/12/744244312.db2.gz VCVAMLBJAOSGAU-KEYYUXOJSA-N 2 1 311.445 1.964 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185683597 744266654 /nfs/dbraw/zinc/26/66/54/744266654.db2.gz YHDWVMLLNUTLSP-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810899 751914230 /nfs/dbraw/zinc/91/42/30/751914230.db2.gz VDQIQGDLSWTKNO-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@H]12 ZINC000992121662 744613907 /nfs/dbraw/zinc/61/39/07/744613907.db2.gz XISQWIADHPCLLG-BQFCYCMXSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@H]12 ZINC000992121662 744613908 /nfs/dbraw/zinc/61/39/08/744613908.db2.gz XISQWIADHPCLLG-BQFCYCMXSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992121662 744613911 /nfs/dbraw/zinc/61/39/11/744613911.db2.gz XISQWIADHPCLLG-BQFCYCMXSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@H]12 ZINC000992121662 744613915 /nfs/dbraw/zinc/61/39/15/744613915.db2.gz XISQWIADHPCLLG-BQFCYCMXSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171031 744658586 /nfs/dbraw/zinc/65/85/86/744658586.db2.gz KXESJGQEKIWUHD-QFBILLFUSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171031 744658589 /nfs/dbraw/zinc/65/85/89/744658589.db2.gz KXESJGQEKIWUHD-QFBILLFUSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992171031 744658593 /nfs/dbraw/zinc/65/85/93/744658593.db2.gz KXESJGQEKIWUHD-QFBILLFUSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992187412 744672626 /nfs/dbraw/zinc/67/26/26/744672626.db2.gz JDQBPXLLMSMGJP-JFIYKMOQSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC000992187412 744672628 /nfs/dbraw/zinc/67/26/28/744672628.db2.gz JDQBPXLLMSMGJP-JFIYKMOQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CC)CC3)CC1 ZINC000992511423 744928257 /nfs/dbraw/zinc/92/82/57/744928257.db2.gz QWTQALPBUQSDTD-FUHWJXTLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106149636 745126051 /nfs/dbraw/zinc/12/60/51/745126051.db2.gz PEJZQHZLVGTYOE-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCN(CC[N@H+]1CCC[C@@](F)(C[NH3+])CC1)C(=O)OCC ZINC001205545617 745382438 /nfs/dbraw/zinc/38/24/38/745382438.db2.gz KRFFAKSLHMCQOI-HNNXBMFYSA-N 2 1 301.406 1.784 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191506851 745541244 /nfs/dbraw/zinc/54/12/44/745541244.db2.gz DTUARWJLNVNQRZ-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106340135 745613196 /nfs/dbraw/zinc/61/31/96/745613196.db2.gz MTWBJGMWRJBRSE-HZPDHXFCSA-N 2 1 323.481 1.051 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192017609 745675063 /nfs/dbraw/zinc/67/50/63/745675063.db2.gz RMYOEKDCBCYJPA-OAHLLOKOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193489645 746118576 /nfs/dbraw/zinc/11/85/76/746118576.db2.gz YWDGYITZWFKSES-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993479542 746167801 /nfs/dbraw/zinc/16/78/01/746167801.db2.gz MXZYPHQHJWCVIP-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001194153090 746292898 /nfs/dbraw/zinc/29/28/98/746292898.db2.gz BALKXAPGJIXITM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001194153090 746292902 /nfs/dbraw/zinc/29/29/02/746292902.db2.gz BALKXAPGJIXITM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194153090 746292905 /nfs/dbraw/zinc/29/29/05/746292905.db2.gz BALKXAPGJIXITM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001194153090 746292909 /nfs/dbraw/zinc/29/29/09/746292909.db2.gz BALKXAPGJIXITM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194961381 746498189 /nfs/dbraw/zinc/49/81/89/746498189.db2.gz JNPHMNHSJWXPHK-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046927016 746505225 /nfs/dbraw/zinc/50/52/25/746505225.db2.gz WXQSXGLQJAFOQG-OLZOCXBDSA-N 2 1 301.381 1.340 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046927016 746505227 /nfs/dbraw/zinc/50/52/27/746505227.db2.gz WXQSXGLQJAFOQG-OLZOCXBDSA-N 2 1 301.381 1.340 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046927016 746505230 /nfs/dbraw/zinc/50/52/30/746505230.db2.gz WXQSXGLQJAFOQG-OLZOCXBDSA-N 2 1 301.381 1.340 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195874378 746727310 /nfs/dbraw/zinc/72/73/10/746727310.db2.gz WLHRARYPUYEVTC-KRWDZBQOSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089488808 747071305 /nfs/dbraw/zinc/07/13/05/747071305.db2.gz YFRBOQOJOXLNIX-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089488808 747071307 /nfs/dbraw/zinc/07/13/07/747071307.db2.gz YFRBOQOJOXLNIX-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC(C)(C)C1 ZINC001089488808 747071316 /nfs/dbraw/zinc/07/13/16/747071316.db2.gz YFRBOQOJOXLNIX-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001198004129 747332932 /nfs/dbraw/zinc/33/29/32/747332932.db2.gz VRKOSSQANDOVJC-ARFHVFGLSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198004129 747332938 /nfs/dbraw/zinc/33/29/38/747332938.db2.gz VRKOSSQANDOVJC-ARFHVFGLSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001198004129 747332945 /nfs/dbraw/zinc/33/29/45/747332945.db2.gz VRKOSSQANDOVJC-ARFHVFGLSA-N 2 1 311.470 1.234 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001089641512 747534149 /nfs/dbraw/zinc/53/41/49/747534149.db2.gz NVUIOGSSDROAOI-IRXDYDNUSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001200578544 748284543 /nfs/dbraw/zinc/28/45/43/748284543.db2.gz WMBPDCFXTGOVBK-WBVHZDCISA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200636738 748298622 /nfs/dbraw/zinc/29/86/22/748298622.db2.gz MNPKSELGBUOKIG-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001004472644 748463173 /nfs/dbraw/zinc/46/31/73/748463173.db2.gz GXCDBVKIMRACEQ-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472644 748463175 /nfs/dbraw/zinc/46/31/75/748463175.db2.gz GXCDBVKIMRACEQ-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472644 748463177 /nfs/dbraw/zinc/46/31/77/748463177.db2.gz GXCDBVKIMRACEQ-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CCCO1 ZINC001201403462 748499111 /nfs/dbraw/zinc/49/91/11/748499111.db2.gz MIMYTCSBCZCDNS-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004622432 748588703 /nfs/dbraw/zinc/58/87/03/748588703.db2.gz NALMLMAZYOGMAV-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004622432 748588712 /nfs/dbraw/zinc/58/87/12/748588712.db2.gz NALMLMAZYOGMAV-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004622432 748588720 /nfs/dbraw/zinc/58/87/20/748588720.db2.gz NALMLMAZYOGMAV-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004618978 748594950 /nfs/dbraw/zinc/59/49/50/748594950.db2.gz ZBESDYOXNNBCRN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618978 748594957 /nfs/dbraw/zinc/59/49/57/748594957.db2.gz ZBESDYOXNNBCRN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618978 748594963 /nfs/dbraw/zinc/59/49/63/748594963.db2.gz ZBESDYOXNNBCRN-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033151087 748618122 /nfs/dbraw/zinc/61/81/22/748618122.db2.gz HYNUOVABMGVHOT-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033151087 748618128 /nfs/dbraw/zinc/61/81/28/748618128.db2.gz HYNUOVABMGVHOT-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099551606 748619073 /nfs/dbraw/zinc/61/90/73/748619073.db2.gz ACAPPSFKSTUQCM-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099551606 748619078 /nfs/dbraw/zinc/61/90/78/748619078.db2.gz ACAPPSFKSTUQCM-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033162545 748689482 /nfs/dbraw/zinc/68/94/82/748689482.db2.gz SCGNNLOIUCEHAU-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001033162545 748689486 /nfs/dbraw/zinc/68/94/86/748689486.db2.gz SCGNNLOIUCEHAU-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033162545 748689490 /nfs/dbraw/zinc/68/94/90/748689490.db2.gz SCGNNLOIUCEHAU-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCC2)C1 ZINC001033162545 748689493 /nfs/dbraw/zinc/68/94/93/748689493.db2.gz SCGNNLOIUCEHAU-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001039298152 761917490 /nfs/dbraw/zinc/91/74/90/761917490.db2.gz MZGJZPVBHGKPLA-MGNMYUMUSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100124165 761968964 /nfs/dbraw/zinc/96/89/64/761968964.db2.gz DCNAZDPFWPTGRC-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108355030 761975083 /nfs/dbraw/zinc/97/50/83/761975083.db2.gz UKFRLEPGYLSFFQ-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108355030 761975087 /nfs/dbraw/zinc/97/50/87/761975087.db2.gz UKFRLEPGYLSFFQ-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108355030 761975094 /nfs/dbraw/zinc/97/50/94/761975094.db2.gz UKFRLEPGYLSFFQ-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1ccnc1)C2 ZINC001110877084 749801771 /nfs/dbraw/zinc/80/17/71/749801771.db2.gz BRHICABTFLNHRC-OAGGEKHMSA-N 2 1 302.422 1.961 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825383 749933838 /nfs/dbraw/zinc/93/38/38/749933838.db2.gz DWJYZGYZVKVHIW-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825383 749933842 /nfs/dbraw/zinc/93/38/42/749933842.db2.gz DWJYZGYZVKVHIW-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825383 749933847 /nfs/dbraw/zinc/93/38/47/749933847.db2.gz DWJYZGYZVKVHIW-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005392158 749961253 /nfs/dbraw/zinc/96/12/53/749961253.db2.gz XTWLZCRDNMQEAT-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033855670 749993935 /nfs/dbraw/zinc/99/39/35/749993935.db2.gz MOZHEBHVGRPZPL-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033855670 749993937 /nfs/dbraw/zinc/99/39/37/749993937.db2.gz MOZHEBHVGRPZPL-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033855670 749993938 /nfs/dbraw/zinc/99/39/38/749993938.db2.gz MOZHEBHVGRPZPL-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107533852 750096886 /nfs/dbraw/zinc/09/68/86/750096886.db2.gz JIZYOEPYNXIEMR-ZHALLVOQSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111197033 750432770 /nfs/dbraw/zinc/43/27/70/750432770.db2.gz FMWFLUDKOYVTBD-OIISXLGYSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812942 750470565 /nfs/dbraw/zinc/47/05/65/750470565.db2.gz VGQKOVGNHIDLQA-LTIDMASMSA-N 2 1 303.450 1.768 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997178304 750666616 /nfs/dbraw/zinc/66/66/16/750666616.db2.gz SWRBAHDWSNHWQA-BFYDXBDKSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997178304 750666620 /nfs/dbraw/zinc/66/66/20/750666620.db2.gz SWRBAHDWSNHWQA-BFYDXBDKSA-N 2 1 323.481 1.498 20 30 DDEDMP CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997281105 750742032 /nfs/dbraw/zinc/74/20/32/750742032.db2.gz YWWCOZVTZYJTHQ-JZXOWHBKSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107952331 750837344 /nfs/dbraw/zinc/83/73/44/750837344.db2.gz ATVFEEKTSLMULE-LZLYRXPVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107952331 750837348 /nfs/dbraw/zinc/83/73/48/750837348.db2.gz ATVFEEKTSLMULE-LZLYRXPVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952331 750837357 /nfs/dbraw/zinc/83/73/57/750837357.db2.gz ATVFEEKTSLMULE-LZLYRXPVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952331 750837363 /nfs/dbraw/zinc/83/73/63/750837363.db2.gz ATVFEEKTSLMULE-LZLYRXPVSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000682081 762085108 /nfs/dbraw/zinc/08/51/08/762085108.db2.gz HPRFUKPDERHNEN-MSOLQXFVSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000682081 762085116 /nfs/dbraw/zinc/08/51/16/762085116.db2.gz HPRFUKPDERHNEN-MSOLQXFVSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000682081 762085124 /nfs/dbraw/zinc/08/51/24/762085124.db2.gz HPRFUKPDERHNEN-MSOLQXFVSA-N 2 1 315.461 1.632 20 30 DDEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000997531977 751070080 /nfs/dbraw/zinc/07/00/80/751070080.db2.gz WZNNFADHGDMGIT-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000997531977 751070086 /nfs/dbraw/zinc/07/00/86/751070086.db2.gz WZNNFADHGDMGIT-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997597713 751143416 /nfs/dbraw/zinc/14/34/16/751143416.db2.gz YKRZBWFCRYRSMB-RYQLBKOJSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114852007 751235175 /nfs/dbraw/zinc/23/51/75/751235175.db2.gz NGKRKZVWQKUXMV-LISAXSMJSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-n2ccnc2)cc1 ZINC001032544658 751250296 /nfs/dbraw/zinc/25/02/96/751250296.db2.gz DGBABQNTKVUOMX-ROUUACIJSA-N 2 1 320.396 1.794 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035166944 751252291 /nfs/dbraw/zinc/25/22/91/751252291.db2.gz VZTSRXAWNSEJIC-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035166944 751252294 /nfs/dbraw/zinc/25/22/94/751252294.db2.gz VZTSRXAWNSEJIC-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035166944 751252297 /nfs/dbraw/zinc/25/22/97/751252297.db2.gz VZTSRXAWNSEJIC-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008279224 752650929 /nfs/dbraw/zinc/65/09/29/752650929.db2.gz QSAWTNGYFLWEIC-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001008279224 752650932 /nfs/dbraw/zinc/65/09/32/752650932.db2.gz QSAWTNGYFLWEIC-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008279224 752650933 /nfs/dbraw/zinc/65/09/33/752650933.db2.gz QSAWTNGYFLWEIC-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008279224 752650936 /nfs/dbraw/zinc/65/09/36/752650936.db2.gz QSAWTNGYFLWEIC-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108024460 753574706 /nfs/dbraw/zinc/57/47/06/753574706.db2.gz LOWCHJMSKYQBMR-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024460 753574712 /nfs/dbraw/zinc/57/47/12/753574712.db2.gz LOWCHJMSKYQBMR-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024460 753574715 /nfs/dbraw/zinc/57/47/15/753574715.db2.gz LOWCHJMSKYQBMR-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001000839756 762251656 /nfs/dbraw/zinc/25/16/56/762251656.db2.gz GMYCKMCSCVWOFU-IRXDYDNUSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001000839756 762251664 /nfs/dbraw/zinc/25/16/64/762251664.db2.gz GMYCKMCSCVWOFU-IRXDYDNUSA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001000839756 762251669 /nfs/dbraw/zinc/25/16/69/762251669.db2.gz GMYCKMCSCVWOFU-IRXDYDNUSA-N 2 1 301.434 1.385 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cc(CN(C)C)on2)CC1 ZINC001000873887 762287982 /nfs/dbraw/zinc/28/79/82/762287982.db2.gz APUUWMFAPYJUCJ-UHFFFAOYSA-N 2 1 318.421 1.674 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001001491172 754345090 /nfs/dbraw/zinc/34/50/90/754345090.db2.gz FMUBANZBIJODPO-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)CC)CC1 ZINC001001491172 754345100 /nfs/dbraw/zinc/34/51/00/754345100.db2.gz FMUBANZBIJODPO-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC)CC1 ZINC001040014075 762315288 /nfs/dbraw/zinc/31/52/88/762315288.db2.gz DPRLELVQUJBVSK-HDICACEKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001108189951 754855693 /nfs/dbraw/zinc/85/56/93/754855693.db2.gz OQTAFGQKPWPCDI-NVXWUHKLSA-N 2 1 311.470 1.356 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250995 762460875 /nfs/dbraw/zinc/46/08/75/762460875.db2.gz VNIUPTZYTQKOFH-HKUYNNGSSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)C2 ZINC001097177656 756949559 /nfs/dbraw/zinc/94/95/59/756949559.db2.gz XGIZRBSXJLIVDE-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C2 ZINC001097177656 756949562 /nfs/dbraw/zinc/94/95/62/756949562.db2.gz XGIZRBSXJLIVDE-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001097177656 756949569 /nfs/dbraw/zinc/94/95/69/756949569.db2.gz XGIZRBSXJLIVDE-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001097177656 756949577 /nfs/dbraw/zinc/94/95/77/756949577.db2.gz XGIZRBSXJLIVDE-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396542 762524791 /nfs/dbraw/zinc/52/47/91/762524791.db2.gz VHKMTZJYIKDBHD-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396542 762524797 /nfs/dbraw/zinc/52/47/97/762524797.db2.gz VHKMTZJYIKDBHD-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396542 762524802 /nfs/dbraw/zinc/52/48/02/762524802.db2.gz VHKMTZJYIKDBHD-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2 ZINC001016669211 757252583 /nfs/dbraw/zinc/25/25/83/757252583.db2.gz GAQREFXTUYZSNL-HOTGVXAUSA-N 2 1 321.440 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCF)CC2 ZINC001016669211 757252594 /nfs/dbraw/zinc/25/25/94/757252594.db2.gz GAQREFXTUYZSNL-HOTGVXAUSA-N 2 1 321.440 1.414 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357186 757512169 /nfs/dbraw/zinc/51/21/69/757512169.db2.gz NLCRMSBDZSOXHV-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357186 757512170 /nfs/dbraw/zinc/51/21/70/757512170.db2.gz NLCRMSBDZSOXHV-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001084357186 757512175 /nfs/dbraw/zinc/51/21/75/757512175.db2.gz NLCRMSBDZSOXHV-YYIAUSFCSA-N 2 1 303.450 1.273 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001016969819 757518543 /nfs/dbraw/zinc/51/85/43/757518543.db2.gz PJCZXQSAFLJFQN-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCF)CC2)CC1 ZINC001052959544 758012807 /nfs/dbraw/zinc/01/28/07/758012807.db2.gz WFUMBKJZQKTXCF-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053757673 758774754 /nfs/dbraw/zinc/77/47/54/758774754.db2.gz BEZNIXDSBBZZND-LSDHHAIUSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053757673 758774758 /nfs/dbraw/zinc/77/47/58/758774758.db2.gz BEZNIXDSBBZZND-LSDHHAIUSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134616 759210449 /nfs/dbraw/zinc/21/04/49/759210449.db2.gz JBHVNEYBALRVBN-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134616 759210447 /nfs/dbraw/zinc/21/04/47/759210447.db2.gz JBHVNEYBALRVBN-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134616 759210453 /nfs/dbraw/zinc/21/04/53/759210453.db2.gz JBHVNEYBALRVBN-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001085778772 760211966 /nfs/dbraw/zinc/21/19/66/760211966.db2.gz GZUCZNRYNBPCDO-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778772 760211969 /nfs/dbraw/zinc/21/19/69/760211969.db2.gz GZUCZNRYNBPCDO-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001085778772 760211971 /nfs/dbraw/zinc/21/19/71/760211971.db2.gz GZUCZNRYNBPCDO-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001038646506 761246143 /nfs/dbraw/zinc/24/61/43/761246143.db2.gz PTYIKVOBFMIHQP-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001038646506 761246146 /nfs/dbraw/zinc/24/61/46/761246146.db2.gz PTYIKVOBFMIHQP-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000198142 761569670 /nfs/dbraw/zinc/56/96/70/761569670.db2.gz KQBKWTHSIBXFTE-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001367743 762795061 /nfs/dbraw/zinc/79/50/61/762795061.db2.gz CJUHAYMIQYJQGU-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041139801 762833665 /nfs/dbraw/zinc/83/36/65/762833665.db2.gz HLVMPFDRCDERID-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108726004 762885873 /nfs/dbraw/zinc/88/58/73/762885873.db2.gz RGBPPDAOVPFXSM-JYJNAYRXSA-N 2 1 300.406 1.184 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041277473 762928039 /nfs/dbraw/zinc/92/80/39/762928039.db2.gz OGBHKFWOSAMEQZ-SJLPKXTDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041277473 762928044 /nfs/dbraw/zinc/92/80/44/762928044.db2.gz OGBHKFWOSAMEQZ-SJLPKXTDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041277473 762928049 /nfs/dbraw/zinc/92/80/49/762928049.db2.gz OGBHKFWOSAMEQZ-SJLPKXTDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC3CC3)C2)C1 ZINC001041366749 762982429 /nfs/dbraw/zinc/98/24/29/762982429.db2.gz ANXNMTIZEZCDCM-PKOBYXMFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC3CC3)C2)C1 ZINC001041366749 762982434 /nfs/dbraw/zinc/98/24/34/762982434.db2.gz ANXNMTIZEZCDCM-PKOBYXMFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1 ZINC001041366749 762982438 /nfs/dbraw/zinc/98/24/38/762982438.db2.gz ANXNMTIZEZCDCM-PKOBYXMFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 ZINC001041366749 762982444 /nfs/dbraw/zinc/98/24/44/762982444.db2.gz ANXNMTIZEZCDCM-PKOBYXMFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041380285 762991506 /nfs/dbraw/zinc/99/15/06/762991506.db2.gz XKESKTWYRDOHJC-FUHWJXTLSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041445391 763035795 /nfs/dbraw/zinc/03/57/95/763035795.db2.gz KJGQPSLUZHYQRZ-SFHVURJKSA-N 2 1 308.385 1.506 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050130099 763184122 /nfs/dbraw/zinc/18/41/22/763184122.db2.gz LTHVEGRPIPSBLH-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041679845 763217635 /nfs/dbraw/zinc/21/76/35/763217635.db2.gz PEMNTHJEDCAXEW-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679845 763217642 /nfs/dbraw/zinc/21/76/42/763217642.db2.gz PEMNTHJEDCAXEW-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679845 763217650 /nfs/dbraw/zinc/21/76/50/763217650.db2.gz PEMNTHJEDCAXEW-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183883 763280735 /nfs/dbraw/zinc/28/07/35/763280735.db2.gz WEHCAOGCYHXHKS-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183883 763280740 /nfs/dbraw/zinc/28/07/40/763280740.db2.gz WEHCAOGCYHXHKS-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050183883 763280750 /nfs/dbraw/zinc/28/07/50/763280750.db2.gz WEHCAOGCYHXHKS-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001050566131 763759843 /nfs/dbraw/zinc/75/98/43/763759843.db2.gz QAXJPQKIJDTACE-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042313876 763903551 /nfs/dbraw/zinc/90/35/51/763903551.db2.gz KPOFSFLOPAEYBA-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001046993118 768177572 /nfs/dbraw/zinc/17/75/72/768177572.db2.gz LBVAEOQSPWHKHO-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993118 768177574 /nfs/dbraw/zinc/17/75/74/768177574.db2.gz LBVAEOQSPWHKHO-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001046993118 768177577 /nfs/dbraw/zinc/17/75/77/768177577.db2.gz LBVAEOQSPWHKHO-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001050764322 764019600 /nfs/dbraw/zinc/01/96/00/764019600.db2.gz CALFMDOCRSDSNU-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]cnc1C)C2 ZINC001110036734 764322024 /nfs/dbraw/zinc/32/20/24/764322024.db2.gz RNZJHWCPXWDYTR-KBMXLJTQSA-N 2 1 302.422 1.948 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579580 764425461 /nfs/dbraw/zinc/42/54/61/764425461.db2.gz WAUIEQLJNVMHDQ-WMZOPIPTSA-N 2 1 314.433 1.433 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001051083522 764488018 /nfs/dbraw/zinc/48/80/18/764488018.db2.gz AOGMKHHJQIJYSJ-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001051083522 764488023 /nfs/dbraw/zinc/48/80/23/764488023.db2.gz AOGMKHHJQIJYSJ-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051083522 764488030 /nfs/dbraw/zinc/48/80/30/764488030.db2.gz AOGMKHHJQIJYSJ-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051083522 764488032 /nfs/dbraw/zinc/48/80/32/764488032.db2.gz AOGMKHHJQIJYSJ-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045920854 766700623 /nfs/dbraw/zinc/70/06/23/766700623.db2.gz BUHXWMMJDVXWKG-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045920854 766700633 /nfs/dbraw/zinc/70/06/33/766700633.db2.gz BUHXWMMJDVXWKG-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045920854 766700642 /nfs/dbraw/zinc/70/06/42/766700642.db2.gz BUHXWMMJDVXWKG-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC001121628219 782602005 /nfs/dbraw/zinc/60/20/05/782602005.db2.gz GOQUWIXXOWBVEH-XLWKGDHDSA-N 2 1 317.477 1.757 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001130298265 767418970 /nfs/dbraw/zinc/41/89/70/767418970.db2.gz ZXNOUEBLSRQTBK-INIZCTEOSA-N 2 1 300.406 1.248 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001130423015 767511687 /nfs/dbraw/zinc/51/16/87/767511687.db2.gz GWGHAZBWLVLFQM-ZFWWWQNUSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046694846 767813239 /nfs/dbraw/zinc/81/32/39/767813239.db2.gz KYQUJFNVWDTVHM-KRWDZBQOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001047577485 768585025 /nfs/dbraw/zinc/58/50/25/768585025.db2.gz OKNQCYSDGAATCL-IRXDYDNUSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132358549 768784625 /nfs/dbraw/zinc/78/46/25/768784625.db2.gz FRTVIRSYYIRGTQ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132358549 768784631 /nfs/dbraw/zinc/78/46/31/768784631.db2.gz FRTVIRSYYIRGTQ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132549125 768974917 /nfs/dbraw/zinc/97/49/17/768974917.db2.gz NWHLUJCYIIOUNQ-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133117673 769509936 /nfs/dbraw/zinc/50/99/36/769509936.db2.gz NIBIFNZXGGMWQY-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC#CCOC)C1 ZINC001133275139 769660629 /nfs/dbraw/zinc/66/06/29/769660629.db2.gz PWNDFPOPRJFGDM-SJORKVTESA-N 2 1 323.481 1.052 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627704 769742509 /nfs/dbraw/zinc/74/25/09/769742509.db2.gz JUNNZNMLMMKRMG-HIFRSBDPSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627704 769742513 /nfs/dbraw/zinc/74/25/13/769742513.db2.gz JUNNZNMLMMKRMG-HIFRSBDPSA-N 2 1 310.401 1.859 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818733 769939898 /nfs/dbraw/zinc/93/98/98/769939898.db2.gz LQOPKUZKHBIXFE-WNRNVDISSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818733 769939902 /nfs/dbraw/zinc/93/99/02/769939902.db2.gz LQOPKUZKHBIXFE-WNRNVDISSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818733 769939908 /nfs/dbraw/zinc/93/99/08/769939908.db2.gz LQOPKUZKHBIXFE-WNRNVDISSA-N 2 1 315.461 1.274 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133870920 770398803 /nfs/dbraw/zinc/39/88/03/770398803.db2.gz XETSVJOOHVFVGW-UKRRQHHQSA-N 2 1 304.438 1.814 20 30 DDEDMP C=C(C)CC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890444 770416904 /nfs/dbraw/zinc/41/69/04/770416904.db2.gz RAFUONMUCDXXPR-UHFFFAOYSA-N 2 1 306.410 1.556 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086717216 770646631 /nfs/dbraw/zinc/64/66/31/770646631.db2.gz MMFONNMARZAIGV-RRFJBIMHSA-N 2 1 302.422 1.821 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049475716 770903378 /nfs/dbraw/zinc/90/33/78/770903378.db2.gz AQRKBPJARGNBLT-BRWVUGGUSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049900428 771244538 /nfs/dbraw/zinc/24/45/38/771244538.db2.gz KSJXLRJRRXVDER-HZPDHXFCSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049900428 771244541 /nfs/dbraw/zinc/24/45/41/771244541.db2.gz KSJXLRJRRXVDER-HZPDHXFCSA-N 2 1 300.406 1.280 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049902650 771246215 /nfs/dbraw/zinc/24/62/15/771246215.db2.gz UQLNGHQUJVCBOE-JKSUJKDBSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049902650 771246217 /nfs/dbraw/zinc/24/62/17/771246217.db2.gz UQLNGHQUJVCBOE-JKSUJKDBSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CC2)CC1 ZINC001096607823 771288976 /nfs/dbraw/zinc/28/89/76/771288976.db2.gz JUGLYGZLACXKOR-SQNIBIBYSA-N 2 1 315.461 1.463 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001135585091 771588310 /nfs/dbraw/zinc/58/83/10/771588310.db2.gz PVCRJZVBSTZKTO-LSDHHAIUSA-N 2 1 304.438 1.903 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001097111952 771628405 /nfs/dbraw/zinc/62/84/05/771628405.db2.gz PTKHEIVPNOOGQO-OAGGEKHMSA-N 2 1 314.433 1.669 20 30 DDEDMP C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001097111952 771628407 /nfs/dbraw/zinc/62/84/07/771628407.db2.gz PTKHEIVPNOOGQO-OAGGEKHMSA-N 2 1 314.433 1.669 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115348 772648220 /nfs/dbraw/zinc/64/82/20/772648220.db2.gz ULFCFOSIEZLTEH-SQNIBIBYSA-N 2 1 317.477 1.997 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001146718694 772925543 /nfs/dbraw/zinc/92/55/43/772925543.db2.gz FTQAYELDNLCSTP-UHFFFAOYSA-N 2 1 306.385 1.245 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091716889 773460777 /nfs/dbraw/zinc/46/07/77/773460777.db2.gz XLQBUQKFPITUKN-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716889 773460780 /nfs/dbraw/zinc/46/07/80/773460780.db2.gz XLQBUQKFPITUKN-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716889 773460783 /nfs/dbraw/zinc/46/07/83/773460783.db2.gz XLQBUQKFPITUKN-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001148777151 773584773 /nfs/dbraw/zinc/58/47/73/773584773.db2.gz CLLBSDISMMPCPF-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036756817 774483342 /nfs/dbraw/zinc/48/33/42/774483342.db2.gz SMUNZROLBXSHQP-CZUORRHYSA-N 2 1 318.421 1.459 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)CC[C@H]21 ZINC001036756817 774483348 /nfs/dbraw/zinc/48/33/48/774483348.db2.gz SMUNZROLBXSHQP-CZUORRHYSA-N 2 1 318.421 1.459 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036772782 774565406 /nfs/dbraw/zinc/56/54/06/774565406.db2.gz CGHUXVBEKDFTMZ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036772782 774565407 /nfs/dbraw/zinc/56/54/07/774565407.db2.gz CGHUXVBEKDFTMZ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001099029376 774781154 /nfs/dbraw/zinc/78/11/54/774781154.db2.gz BAPVABDNEPPNBB-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029376 774781157 /nfs/dbraw/zinc/78/11/57/774781157.db2.gz BAPVABDNEPPNBB-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001099029376 774781162 /nfs/dbraw/zinc/78/11/62/774781162.db2.gz BAPVABDNEPPNBB-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225023 774908515 /nfs/dbraw/zinc/90/85/15/774908515.db2.gz MGSOPGIBBCUCST-JKSUJKDBSA-N 2 1 307.482 1.813 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C)C1 ZINC001093833102 775117281 /nfs/dbraw/zinc/11/72/81/775117281.db2.gz RVVDCFQJNPIPKO-OIISXLGYSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C)C1 ZINC001093833102 775117286 /nfs/dbraw/zinc/11/72/86/775117286.db2.gz RVVDCFQJNPIPKO-OIISXLGYSA-N 2 1 303.450 1.178 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100115863 775700820 /nfs/dbraw/zinc/70/08/20/775700820.db2.gz GVSSLZZDOSBLRC-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001171538505 776318101 /nfs/dbraw/zinc/31/81/01/776318101.db2.gz NHJJPKOJZPXJIA-DLBZAZTESA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001171825886 776466908 /nfs/dbraw/zinc/46/69/08/776466908.db2.gz JKGBWLYHURGLFX-OAHLLOKOSA-N 2 1 316.449 1.660 20 30 DDEDMP C[C@@H](CCCC#N)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001172504564 776806221 /nfs/dbraw/zinc/80/62/21/776806221.db2.gz HADCEXHIUHPKCC-HNNXBMFYSA-N 2 1 306.454 1.555 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150292355 777382525 /nfs/dbraw/zinc/38/25/25/777382525.db2.gz RLZYGGWLKLYMGS-JKSUJKDBSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001102091047 777869697 /nfs/dbraw/zinc/86/96/97/777869697.db2.gz PHVKSDZRWGQZHM-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001102091047 777869705 /nfs/dbraw/zinc/86/97/05/777869705.db2.gz PHVKSDZRWGQZHM-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001102091047 777869714 /nfs/dbraw/zinc/86/97/14/777869714.db2.gz PHVKSDZRWGQZHM-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001176072301 778014090 /nfs/dbraw/zinc/01/40/90/778014090.db2.gz OQXYLQBBODACED-OAHLLOKOSA-N 2 1 318.396 1.245 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001176165433 778075816 /nfs/dbraw/zinc/07/58/16/778075816.db2.gz LJTKIXYBEQSHMK-SJORKVTESA-N 2 1 323.481 1.243 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001103084110 778629076 /nfs/dbraw/zinc/62/90/76/778629076.db2.gz ZBDWZVIBNPWGCW-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103084110 778629081 /nfs/dbraw/zinc/62/90/81/778629081.db2.gz ZBDWZVIBNPWGCW-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001103084110 778629084 /nfs/dbraw/zinc/62/90/84/778629084.db2.gz ZBDWZVIBNPWGCW-KZNAEPCWSA-N 2 1 319.493 1.672 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103088702 778630632 /nfs/dbraw/zinc/63/06/32/778630632.db2.gz PGHIPTIRNOJKSZ-OIISXLGYSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643919 778977350 /nfs/dbraw/zinc/97/73/50/778977350.db2.gz WXCQRYSEFXPFFD-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103643919 778977354 /nfs/dbraw/zinc/97/73/54/778977354.db2.gz WXCQRYSEFXPFFD-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103643919 778977360 /nfs/dbraw/zinc/97/73/60/778977360.db2.gz WXCQRYSEFXPFFD-IXDOHACOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648062 778979650 /nfs/dbraw/zinc/97/96/50/778979650.db2.gz RUDUSPDYWVIUOW-HUUCEWRRSA-N 2 1 314.433 1.469 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001103755359 779031635 /nfs/dbraw/zinc/03/16/35/779031635.db2.gz DJYQKIVIYNKYJQ-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103755359 779031639 /nfs/dbraw/zinc/03/16/39/779031639.db2.gz DJYQKIVIYNKYJQ-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103755359 779031647 /nfs/dbraw/zinc/03/16/47/779031647.db2.gz DJYQKIVIYNKYJQ-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=C)C ZINC001178722921 779138846 /nfs/dbraw/zinc/13/88/46/779138846.db2.gz VPEDVEWRWSTHJA-KRWDZBQOSA-N 2 1 305.466 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=C)C ZINC001178722921 779138854 /nfs/dbraw/zinc/13/88/54/779138854.db2.gz VPEDVEWRWSTHJA-KRWDZBQOSA-N 2 1 305.466 1.926 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731398 779158126 /nfs/dbraw/zinc/15/81/26/779158126.db2.gz VGXHZCBBVIFQKB-QXSJWSMHSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178907891 779224151 /nfs/dbraw/zinc/22/41/51/779224151.db2.gz CIJNQSUELAWLGC-UHFFFAOYSA-N 2 1 308.426 1.802 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001112017602 779598470 /nfs/dbraw/zinc/59/84/70/779598470.db2.gz LWRTYIGIOBXMER-HKUYNNGSSA-N 2 1 317.477 1.856 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001115292488 780012154 /nfs/dbraw/zinc/01/21/54/780012154.db2.gz OZNBNOXYEHUVDC-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593172 780254336 /nfs/dbraw/zinc/25/43/36/780254336.db2.gz AORGLOZUKXKYSV-HZPDHXFCSA-N 2 1 323.481 1.690 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593172 780254341 /nfs/dbraw/zinc/25/43/41/780254341.db2.gz AORGLOZUKXKYSV-HZPDHXFCSA-N 2 1 323.481 1.690 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001271953622 844234309 /nfs/dbraw/zinc/23/43/09/844234309.db2.gz HZYPVMLRCPYZHS-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267492166 838173087 /nfs/dbraw/zinc/17/30/87/838173087.db2.gz SDFZPKPXBGKOPB-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267585409 838368627 /nfs/dbraw/zinc/36/86/27/838368627.db2.gz VIWJLCDTQVQKQK-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267697502 838669035 /nfs/dbraw/zinc/66/90/35/838669035.db2.gz SGDIKZGKXIEZDQ-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001268097511 839684013 /nfs/dbraw/zinc/68/40/13/839684013.db2.gz FOGSAXMANNLURL-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)CCCn1cc[nH+]c1C)C1CC1 ZINC001269129240 841241916 /nfs/dbraw/zinc/24/19/16/841241916.db2.gz IIZCACRWSMTXOE-MRXNPFEDSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001269403267 841606556 /nfs/dbraw/zinc/60/65/56/841606556.db2.gz UTUOATAOASSCDI-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001269871201 842117973 /nfs/dbraw/zinc/11/79/73/842117973.db2.gz RMGOVXJSHINYEF-KRWDZBQOSA-N 2 1 323.456 1.662 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCF)CC1 ZINC001269871201 842117976 /nfs/dbraw/zinc/11/79/76/842117976.db2.gz RMGOVXJSHINYEF-KRWDZBQOSA-N 2 1 323.456 1.662 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001270633582 842760475 /nfs/dbraw/zinc/76/04/75/842760475.db2.gz UUQPDYZEYCOIIJ-PBHICJAKSA-N 2 1 320.437 1.372 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001270633582 842760479 /nfs/dbraw/zinc/76/04/79/842760479.db2.gz UUQPDYZEYCOIIJ-PBHICJAKSA-N 2 1 320.437 1.372 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001271099458 843213260 /nfs/dbraw/zinc/21/32/60/843213260.db2.gz DALHNBMPOICTSK-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001271099458 843213269 /nfs/dbraw/zinc/21/32/69/843213269.db2.gz DALHNBMPOICTSK-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC#CCOC ZINC001328787671 863224948 /nfs/dbraw/zinc/22/49/48/863224948.db2.gz XJQDZRJRLNUQBQ-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155023821 861655799 /nfs/dbraw/zinc/65/57/99/861655799.db2.gz LTVWPUFVVQVHSE-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCO1 ZINC001326977968 861767570 /nfs/dbraw/zinc/76/75/70/861767570.db2.gz JXGBPGDVTZEYQY-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250048 848157543 /nfs/dbraw/zinc/15/75/43/848157543.db2.gz OPHCCXBYEXDJGM-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250048 848157546 /nfs/dbraw/zinc/15/75/46/848157546.db2.gz OPHCCXBYEXDJGM-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034372131 848402316 /nfs/dbraw/zinc/40/23/16/848402316.db2.gz ZRWJURVJKMINML-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001034372131 848402320 /nfs/dbraw/zinc/40/23/20/848402320.db2.gz ZRWJURVJKMINML-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034372131 848402327 /nfs/dbraw/zinc/40/23/27/848402327.db2.gz ZRWJURVJKMINML-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143585 848552355 /nfs/dbraw/zinc/55/23/55/848552355.db2.gz IVFZQPDQWYRVAA-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001273143585 848552367 /nfs/dbraw/zinc/55/23/67/848552367.db2.gz IVFZQPDQWYRVAA-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143585 848552374 /nfs/dbraw/zinc/55/23/74/848552374.db2.gz IVFZQPDQWYRVAA-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143585 848552381 /nfs/dbraw/zinc/55/23/81/848552381.db2.gz IVFZQPDQWYRVAA-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149841912 861938311 /nfs/dbraw/zinc/93/83/11/861938311.db2.gz MLAPGSYOSNVMFW-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149861032 861946913 /nfs/dbraw/zinc/94/69/13/861946913.db2.gz LUZXIINFWKEBBD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149861032 861946917 /nfs/dbraw/zinc/94/69/17/861946917.db2.gz LUZXIINFWKEBBD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149861032 861946925 /nfs/dbraw/zinc/94/69/25/861946925.db2.gz LUZXIINFWKEBBD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[N@H+](C)CC)O2 ZINC001327363414 862105246 /nfs/dbraw/zinc/10/52/46/862105246.db2.gz GUFLCNWJGUVZCK-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)O2 ZINC001327360745 862103008 /nfs/dbraw/zinc/10/30/08/862103008.db2.gz YGVYQHLWXQZAMA-MRXNPFEDSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001273763091 851314947 /nfs/dbraw/zinc/31/49/47/851314947.db2.gz OIHFYWNXWLIGKL-IRXDYDNUSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCN1c2ccccc2[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826449 851391473 /nfs/dbraw/zinc/39/14/73/851391473.db2.gz FLZGULUVLNJEOD-HXUWFJFHSA-N 2 1 323.440 1.704 20 30 DDEDMP C#CCN1c2ccccc2[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273826449 851391484 /nfs/dbraw/zinc/39/14/84/851391484.db2.gz FLZGULUVLNJEOD-HXUWFJFHSA-N 2 1 323.440 1.704 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001274436690 852264563 /nfs/dbraw/zinc/26/45/63/852264563.db2.gz PGXULFPKTPBYCH-OAHLLOKOSA-N 2 1 302.422 1.582 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001274436690 852264573 /nfs/dbraw/zinc/26/45/73/852264573.db2.gz PGXULFPKTPBYCH-OAHLLOKOSA-N 2 1 302.422 1.582 20 30 DDEDMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274919776 852692105 /nfs/dbraw/zinc/69/21/05/852692105.db2.gz RQYGIYNADDBHFV-DLBZAZTESA-N 2 1 313.445 1.474 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001275120634 852821448 /nfs/dbraw/zinc/82/14/48/852821448.db2.gz GOSBWUUBIZKAEL-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275120634 852821451 /nfs/dbraw/zinc/82/14/51/852821451.db2.gz GOSBWUUBIZKAEL-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001275120634 852821454 /nfs/dbraw/zinc/82/14/54/852821454.db2.gz GOSBWUUBIZKAEL-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150779553 862465359 /nfs/dbraw/zinc/46/53/59/862465359.db2.gz USCVHEVGECXCPU-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC[C@@H](C)F)CC1 ZINC001276013764 854160819 /nfs/dbraw/zinc/16/08/19/854160819.db2.gz ZOHNOAQVAVSIMT-HUUCEWRRSA-N 2 1 311.445 1.516 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001276326942 855661627 /nfs/dbraw/zinc/66/16/27/855661627.db2.gz LUERPZRMZYIOOO-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001276326942 855661629 /nfs/dbraw/zinc/66/16/29/855661629.db2.gz LUERPZRMZYIOOO-INIZCTEOSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428720 863038841 /nfs/dbraw/zinc/03/88/41/863038841.db2.gz WRGPLPGOSWJEQO-CQSZACIVSA-N 2 1 302.422 1.611 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001121791687 858597208 /nfs/dbraw/zinc/59/72/08/858597208.db2.gz VITHAEYOJGOHSR-UHFFFAOYSA-N 2 1 317.477 1.759 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001224788148 881535425 /nfs/dbraw/zinc/53/54/25/881535425.db2.gz NOCYXRIIOJOLDF-AWEZNQCLSA-N 2 1 304.438 1.993 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001325864039 860895846 /nfs/dbraw/zinc/89/58/46/860895846.db2.gz CBMOPAGDQTWNNU-KRWDZBQOSA-N 2 1 311.470 1.238 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001325864039 860895851 /nfs/dbraw/zinc/89/58/51/860895851.db2.gz CBMOPAGDQTWNNU-KRWDZBQOSA-N 2 1 311.470 1.238 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001325864039 860895857 /nfs/dbraw/zinc/89/58/57/860895857.db2.gz CBMOPAGDQTWNNU-KRWDZBQOSA-N 2 1 311.470 1.238 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC#CCOC ZINC001328787671 863224930 /nfs/dbraw/zinc/22/49/30/863224930.db2.gz XJQDZRJRLNUQBQ-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP CCC[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC#CCOC ZINC001328787671 863224939 /nfs/dbraw/zinc/22/49/39/863224939.db2.gz XJQDZRJRLNUQBQ-QGZVFWFLSA-N 2 1 323.481 1.291 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CC2)CC1 ZINC001157092082 863566521 /nfs/dbraw/zinc/56/65/21/863566521.db2.gz JILGZYRBXMVIMH-OAHLLOKOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001329765654 863838586 /nfs/dbraw/zinc/83/85/86/863838586.db2.gz PTWUPXLHKFFGKX-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001329765654 863838593 /nfs/dbraw/zinc/83/85/93/863838593.db2.gz PTWUPXLHKFFGKX-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001330085915 864074134 /nfs/dbraw/zinc/07/41/34/864074134.db2.gz NPJKFQPXOYIESM-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001330467210 864373637 /nfs/dbraw/zinc/37/36/37/864373637.db2.gz MIPUPICRIUFMNK-GVDBMIGSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001158571634 864737133 /nfs/dbraw/zinc/73/71/33/864737133.db2.gz TZBSFIVVQFFZPU-NVXWUHKLSA-N 2 1 316.449 1.925 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001158571634 864737143 /nfs/dbraw/zinc/73/71/43/864737143.db2.gz TZBSFIVVQFFZPU-NVXWUHKLSA-N 2 1 316.449 1.925 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001158571634 864737151 /nfs/dbraw/zinc/73/71/51/864737151.db2.gz TZBSFIVVQFFZPU-NVXWUHKLSA-N 2 1 316.449 1.925 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593567 865963459 /nfs/dbraw/zinc/96/34/59/865963459.db2.gz WPUGHOPDABUTDV-UHFFFAOYSA-N 2 1 315.461 1.777 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001333003660 866329569 /nfs/dbraw/zinc/32/95/69/866329569.db2.gz CHCVSJPBXWBRHI-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001323639424 866741555 /nfs/dbraw/zinc/74/15/55/866741555.db2.gz ZQGISTIWKGZSPG-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001323639424 866741567 /nfs/dbraw/zinc/74/15/67/866741567.db2.gz ZQGISTIWKGZSPG-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001323639424 866741580 /nfs/dbraw/zinc/74/15/80/866741580.db2.gz ZQGISTIWKGZSPG-GOSISDBHSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001333668365 866920647 /nfs/dbraw/zinc/92/06/47/866920647.db2.gz LPYIVZMUSOOCFO-UHFFFAOYSA-N 2 1 308.470 1.668 20 30 DDEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001321064183 867276737 /nfs/dbraw/zinc/27/67/37/867276737.db2.gz LSNIPOONIQEGCP-MWWKQMNYSA-N 2 1 303.450 1.536 20 30 DDEDMP CN(C)/C=[NH+]/c1ccc(NC[C@H]2C[N@H+](C)CCO2)cc1C#N ZINC001162689367 867736646 /nfs/dbraw/zinc/73/66/46/867736646.db2.gz DXXBCOGMFRWALJ-UZUMKDMXSA-N 2 1 301.394 1.522 20 30 DDEDMP CN(C)/C=[NH+]/c1ccc(NC[C@H]2C[N@@H+](C)CCO2)cc1C#N ZINC001162689367 867736656 /nfs/dbraw/zinc/73/66/56/867736656.db2.gz DXXBCOGMFRWALJ-UZUMKDMXSA-N 2 1 301.394 1.522 20 30 DDEDMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001322279715 868093520 /nfs/dbraw/zinc/09/35/20/868093520.db2.gz AVHMZXVLLAHLBV-SJLPKXTDSA-N 2 1 315.461 1.815 20 30 DDEDMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001322279715 868093534 /nfs/dbraw/zinc/09/35/34/868093534.db2.gz AVHMZXVLLAHLBV-SJLPKXTDSA-N 2 1 315.461 1.815 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001165545031 869635996 /nfs/dbraw/zinc/63/59/96/869635996.db2.gz AGAMTQFLNDBDKA-KRWDZBQOSA-N 2 1 317.477 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC2CCC2)CC1 ZINC001165545031 869636001 /nfs/dbraw/zinc/63/60/01/869636001.db2.gz AGAMTQFLNDBDKA-KRWDZBQOSA-N 2 1 317.477 1.760 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cnc[nH]2)C12CCC2 ZINC001203442148 870562062 /nfs/dbraw/zinc/56/20/62/870562062.db2.gz JROXJECXOGAIJH-GJZGRUSLSA-N 2 1 302.422 1.935 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC001340199904 870955421 /nfs/dbraw/zinc/95/54/21/870955421.db2.gz HMYBCCLHTMCUQE-UHFFFAOYSA-N 2 1 317.458 1.705 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001317554251 871062863 /nfs/dbraw/zinc/06/28/63/871062863.db2.gz VCYGHPCFWXTCOR-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001317554251 871062881 /nfs/dbraw/zinc/06/28/81/871062881.db2.gz VCYGHPCFWXTCOR-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001317554251 871062900 /nfs/dbraw/zinc/06/29/00/871062900.db2.gz VCYGHPCFWXTCOR-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001317554251 871062919 /nfs/dbraw/zinc/06/29/19/871062919.db2.gz VCYGHPCFWXTCOR-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP CN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@H]1CCC[N@H+]1C ZINC001317619393 871221875 /nfs/dbraw/zinc/22/18/75/871221875.db2.gz YBHBFGMBSVSGND-CQSZACIVSA-N 2 1 306.435 1.262 20 30 DDEDMP C=CCO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](OCC=C)C2)C1 ZINC001340745589 871326565 /nfs/dbraw/zinc/32/65/65/871326565.db2.gz AOEAMSKUYOCULW-QZTJIDSGSA-N 2 1 304.434 1.544 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC#CC)CC1 ZINC001317684281 871404927 /nfs/dbraw/zinc/40/49/27/871404927.db2.gz BIHQANFDOLWKGR-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC#CC)CC1 ZINC001317684281 871404943 /nfs/dbraw/zinc/40/49/43/871404943.db2.gz BIHQANFDOLWKGR-WMZOPIPTSA-N 2 1 315.461 1.324 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205283874 871483330 /nfs/dbraw/zinc/48/33/30/871483330.db2.gz JERJXWRMGQJJGO-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001205469473 871570103 /nfs/dbraw/zinc/57/01/03/871570103.db2.gz GZYDJXXJCLNMNA-UHFFFAOYSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317841886 871579348 /nfs/dbraw/zinc/57/93/48/871579348.db2.gz IPNHVUYGKMGHDG-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317841886 871579355 /nfs/dbraw/zinc/57/93/55/871579355.db2.gz IPNHVUYGKMGHDG-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317841886 871579365 /nfs/dbraw/zinc/57/93/65/871579365.db2.gz IPNHVUYGKMGHDG-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317851733 871588941 /nfs/dbraw/zinc/58/89/41/871588941.db2.gz AEEGAPKWEUPIAE-QGZVFWFLSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001317851733 871588957 /nfs/dbraw/zinc/58/89/57/871588957.db2.gz AEEGAPKWEUPIAE-QGZVFWFLSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518510 871600864 /nfs/dbraw/zinc/60/08/64/871600864.db2.gz BERBQHKTICUYMM-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518510 871600852 /nfs/dbraw/zinc/60/08/52/871600852.db2.gz BERBQHKTICUYMM-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001317032505 871902044 /nfs/dbraw/zinc/90/20/44/871902044.db2.gz FIOJNZPZRPQPOW-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001317032505 871902052 /nfs/dbraw/zinc/90/20/52/871902052.db2.gz FIOJNZPZRPQPOW-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317032505 871902062 /nfs/dbraw/zinc/90/20/62/871902062.db2.gz FIOJNZPZRPQPOW-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317032505 871902072 /nfs/dbraw/zinc/90/20/72/871902072.db2.gz FIOJNZPZRPQPOW-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001318445800 872052556 /nfs/dbraw/zinc/05/25/56/872052556.db2.gz QAEMURJGLLNUHV-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001318445800 872052578 /nfs/dbraw/zinc/05/25/78/872052578.db2.gz QAEMURJGLLNUHV-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001318445800 872052602 /nfs/dbraw/zinc/05/26/02/872052602.db2.gz QAEMURJGLLNUHV-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001318445800 872052622 /nfs/dbraw/zinc/05/26/22/872052622.db2.gz QAEMURJGLLNUHV-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001316807058 872079505 /nfs/dbraw/zinc/07/95/05/872079505.db2.gz YEZNQMMTSYFQMT-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001316807058 872079529 /nfs/dbraw/zinc/07/95/29/872079529.db2.gz YEZNQMMTSYFQMT-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cc2)c1 ZINC001206518669 872406370 /nfs/dbraw/zinc/40/63/70/872406370.db2.gz DIJCBFZIZQJWFU-WMZOPIPTSA-N 2 1 308.385 1.372 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001319309286 872558020 /nfs/dbraw/zinc/55/80/20/872558020.db2.gz QCNTWUCGMYSRDW-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001319309286 872558036 /nfs/dbraw/zinc/55/80/36/872558036.db2.gz QCNTWUCGMYSRDW-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001319309286 872558047 /nfs/dbraw/zinc/55/80/47/872558047.db2.gz QCNTWUCGMYSRDW-MRXNPFEDSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001208279015 873955512 /nfs/dbraw/zinc/95/55/12/873955512.db2.gz FVWKMZDQJVNCNC-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001277176767 882792312 /nfs/dbraw/zinc/79/23/12/882792312.db2.gz BONAZSVHVHQNCB-AWEZNQCLSA-N 2 1 302.422 1.568 20 30 DDEDMP C=CCN1C(=O)CCC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001208605542 874307281 /nfs/dbraw/zinc/30/72/81/874307281.db2.gz AAAPWXPBBBNRRD-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001378830380 875724644 /nfs/dbraw/zinc/72/46/44/875724644.db2.gz FHAKCIYWKGXHBN-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213871782 876084695 /nfs/dbraw/zinc/08/46/95/876084695.db2.gz GRAYVFKSZSWSAB-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001379466884 877146163 /nfs/dbraw/zinc/14/61/63/877146163.db2.gz MYTWIHNNQMKKTM-CQSZACIVSA-N 2 1 302.422 1.493 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624888 877618446 /nfs/dbraw/zinc/61/84/46/877618446.db2.gz XHHVXXGIUSCIBF-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]2C1 ZINC001218624888 877618452 /nfs/dbraw/zinc/61/84/52/877618452.db2.gz XHHVXXGIUSCIBF-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568683 879103273 /nfs/dbraw/zinc/10/32/73/879103273.db2.gz YXNZCSRTEIAYJI-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](O)C1 ZINC001220568683 879103279 /nfs/dbraw/zinc/10/32/79/879103279.db2.gz YXNZCSRTEIAYJI-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568683 879103286 /nfs/dbraw/zinc/10/32/86/879103286.db2.gz YXNZCSRTEIAYJI-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](O)C1 ZINC001220568683 879103294 /nfs/dbraw/zinc/10/32/94/879103294.db2.gz YXNZCSRTEIAYJI-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872092 880125687 /nfs/dbraw/zinc/12/56/87/880125687.db2.gz QQOXIAVSLCWXLX-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001221872092 880125690 /nfs/dbraw/zinc/12/56/90/880125690.db2.gz QQOXIAVSLCWXLX-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277284263 883399734 /nfs/dbraw/zinc/39/97/34/883399734.db2.gz JKJZMCZMWLTESF-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215810 884376963 /nfs/dbraw/zinc/37/69/63/884376963.db2.gz ZDLVHYIJXVRZLM-ZACQAIPSSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215810 884376974 /nfs/dbraw/zinc/37/69/74/884376974.db2.gz ZDLVHYIJXVRZLM-ZACQAIPSSA-N 2 1 323.481 1.690 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001230612941 884650525 /nfs/dbraw/zinc/65/05/25/884650525.db2.gz IGDFNZNVRFHZDU-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612941 884650540 /nfs/dbraw/zinc/65/05/40/884650540.db2.gz IGDFNZNVRFHZDU-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001230612941 884650553 /nfs/dbraw/zinc/65/05/53/884650553.db2.gz IGDFNZNVRFHZDU-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)COc1ccccc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234985844 888301566 /nfs/dbraw/zinc/30/15/66/888301566.db2.gz GGNJHYMBXSILCN-SFHVURJKSA-N 2 1 301.434 1.779 20 30 DDEDMP N#Cc1cccc([C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001364357509 888450204 /nfs/dbraw/zinc/45/02/04/888450204.db2.gz BGDDFVVNEOXXBR-GOSISDBHSA-N 2 1 308.385 1.809 20 30 DDEDMP N#CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001277941890 888603063 /nfs/dbraw/zinc/60/30/63/888603063.db2.gz WSRKLJJCAYRRPU-ULQDDVLXSA-N 2 1 316.449 1.450 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001252462651 895173438 /nfs/dbraw/zinc/17/34/38/895173438.db2.gz ISJMVKDDSBLGQH-KRWDZBQOSA-N 2 1 308.466 1.890 20 30 DDEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001252462651 895173442 /nfs/dbraw/zinc/17/34/42/895173442.db2.gz ISJMVKDDSBLGQH-KRWDZBQOSA-N 2 1 308.466 1.890 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C2 ZINC001254500651 896461592 /nfs/dbraw/zinc/46/15/92/896461592.db2.gz XHHCUXZKSUJBML-DLBZAZTESA-N 2 1 315.461 1.966 20 30 DDEDMP CC(C)(C)OC(=O)N1CCC(C[NH3+])([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254644579 896547044 /nfs/dbraw/zinc/54/70/44/896547044.db2.gz ZIYYUFIRLIJMHW-KGLIPLIRSA-N 2 1 322.453 1.997 20 30 DDEDMP C#CCC[N@H+](C)CCN(C(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001278926422 897350897 /nfs/dbraw/zinc/35/08/97/897350897.db2.gz LQVVKVPFDCMLIW-UHFFFAOYSA-N 2 1 323.481 1.289 20 30 DDEDMP C[C@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001256584919 897490106 /nfs/dbraw/zinc/49/01/06/897490106.db2.gz KTRRJUASGRABJC-OAHLLOKOSA-N 2 1 306.454 1.067 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001367992115 898422800 /nfs/dbraw/zinc/42/28/00/898422800.db2.gz OCAWCLGBSMBYNO-CQSZACIVSA-N 2 1 318.446 1.452 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001374903190 914295808 /nfs/dbraw/zinc/29/58/08/914295808.db2.gz CBEALOVWXNBHEB-KBPBESRZSA-N 2 1 301.862 1.954 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)C1 ZINC001262041311 899911518 /nfs/dbraw/zinc/91/15/18/899911518.db2.gz UHWLGCLYZYNDIB-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CCC[N@H+](CC)C2)C1 ZINC001262041311 899911524 /nfs/dbraw/zinc/91/15/24/899911524.db2.gz UHWLGCLYZYNDIB-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)C1 ZINC001262041311 899911530 /nfs/dbraw/zinc/91/15/30/899911530.db2.gz UHWLGCLYZYNDIB-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)C1 ZINC001262041311 899911533 /nfs/dbraw/zinc/91/15/33/899911533.db2.gz UHWLGCLYZYNDIB-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001263836596 900752548 /nfs/dbraw/zinc/75/25/48/900752548.db2.gz FGRXLGAXNNPKPU-BETUJISGSA-N 2 1 306.410 1.410 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001264380803 901069203 /nfs/dbraw/zinc/06/92/03/901069203.db2.gz REKZBYCLIQCFHQ-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001264404453 901091887 /nfs/dbraw/zinc/09/18/87/901091887.db2.gz CXVFXFGTCABSHG-GASCZTMLSA-N 2 1 302.422 1.514 20 30 DDEDMP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC)[NH+](C)C ZINC001265519392 902086715 /nfs/dbraw/zinc/08/67/15/902086715.db2.gz MZUXDLZDMHNCJF-HMQMGEFJSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001265523887 902092130 /nfs/dbraw/zinc/09/21/30/902092130.db2.gz QNYPFYKGGKZWAN-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001265526077 902095485 /nfs/dbraw/zinc/09/54/85/902095485.db2.gz QWWPWCYKDBTRGB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001265526077 902095491 /nfs/dbraw/zinc/09/54/91/902095491.db2.gz QWWPWCYKDBTRGB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001265526077 902095496 /nfs/dbraw/zinc/09/54/96/902095496.db2.gz QWWPWCYKDBTRGB-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266071185 902883357 /nfs/dbraw/zinc/88/33/57/902883357.db2.gz JXIZAVDBSFCIOA-JKSUJKDBSA-N 2 1 309.454 1.302 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cc(C#N)ccc1F ZINC001371145713 904348433 /nfs/dbraw/zinc/34/84/33/904348433.db2.gz XLWQFUOSIVYIPE-WBMJQRKESA-N 2 1 318.396 1.386 20 30 DDEDMP C#CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001283435253 907351575 /nfs/dbraw/zinc/35/15/75/907351575.db2.gz WIZIFPLMQHRKFT-QZTJIDSGSA-N 2 1 313.445 1.941 20 30 DDEDMP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001284434843 908996037 /nfs/dbraw/zinc/99/60/37/908996037.db2.gz ANRCGEMFBQGASQ-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001316638692 910391281 /nfs/dbraw/zinc/39/12/81/910391281.db2.gz ZCWZDSCKJRNZBG-LUKYLMHMSA-N 2 1 303.450 1.511 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(C#N)c1 ZINC000181270664 199273953 /nfs/dbraw/zinc/27/39/53/199273953.db2.gz REBRKIXJLYRKJC-MRXNPFEDSA-N 2 1 317.437 1.374 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000322916964 354539207 /nfs/dbraw/zinc/53/92/07/354539207.db2.gz KYMPUIVFGZMCTL-BRWVUGGUSA-N 2 1 315.417 1.514 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000594438578 356214782 /nfs/dbraw/zinc/21/47/82/356214782.db2.gz OLRSHHLORAPPTL-MRXNPFEDSA-N 2 1 306.454 1.875 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1C#N ZINC000597941622 357391815 /nfs/dbraw/zinc/39/18/15/357391815.db2.gz CMXXCFJUZFNNQC-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1C#N ZINC000597941622 357391817 /nfs/dbraw/zinc/39/18/17/357391817.db2.gz CMXXCFJUZFNNQC-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598595407 357646620 /nfs/dbraw/zinc/64/66/20/357646620.db2.gz NRGDLONRXORNOD-CVEARBPZSA-N 2 1 311.470 1.720 20 30 DDEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306863 357887031 /nfs/dbraw/zinc/88/70/31/357887031.db2.gz DGWGQTXPBXOWCS-IRXDYDNUSA-N 2 1 323.481 1.721 20 30 DDEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306863 357887034 /nfs/dbraw/zinc/88/70/34/357887034.db2.gz DGWGQTXPBXOWCS-IRXDYDNUSA-N 2 1 323.481 1.721 20 30 DDEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306863 357887037 /nfs/dbraw/zinc/88/70/37/357887037.db2.gz DGWGQTXPBXOWCS-IRXDYDNUSA-N 2 1 323.481 1.721 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109733 359408209 /nfs/dbraw/zinc/40/82/09/359408209.db2.gz GFSUTPPTKDYOSZ-UHFFFAOYSA-N 2 1 308.470 1.946 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC001120497239 781984933 /nfs/dbraw/zinc/98/49/33/781984933.db2.gz SKIYXNXOHAHBNM-SFHVURJKSA-N 2 1 316.445 1.812 20 30 DDEDMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233961 409005539 /nfs/dbraw/zinc/00/55/39/409005539.db2.gz WCTVYAQKOLCFQK-AEFFLSMTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233961 409005542 /nfs/dbraw/zinc/00/55/42/409005542.db2.gz WCTVYAQKOLCFQK-AEFFLSMTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233961 409005545 /nfs/dbraw/zinc/00/55/45/409005545.db2.gz WCTVYAQKOLCFQK-AEFFLSMTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233961 409005546 /nfs/dbraw/zinc/00/55/46/409005546.db2.gz WCTVYAQKOLCFQK-AEFFLSMTSA-N 2 1 315.417 1.326 20 30 DDEDMP CC(C)CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304797231 409646008 /nfs/dbraw/zinc/64/60/08/409646008.db2.gz NDODPVWRXDEULZ-UHFFFAOYSA-N 2 1 309.502 1.497 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000358806321 410534831 /nfs/dbraw/zinc/53/48/31/410534831.db2.gz NAJDOPXFMLMYQL-HOTGVXAUSA-N 2 1 306.454 1.563 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000299167752 410551804 /nfs/dbraw/zinc/55/18/04/410551804.db2.gz VFYMADGDHAZUHY-HNNXBMFYSA-N 2 1 303.406 1.344 20 30 DDEDMP C=CCOCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000348043294 410820955 /nfs/dbraw/zinc/82/09/55/410820955.db2.gz XWCUCJMUQSGVIA-JWTNVVGKSA-N 2 1 307.482 1.822 20 30 DDEDMP CN1CC[NH+]=C1NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367499533 418606814 /nfs/dbraw/zinc/60/68/14/418606814.db2.gz DKEAVESCFKXGMR-UHFFFAOYSA-N 3 1 307.486 1.074 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COc2ccccc21 ZINC000262258178 222273485 /nfs/dbraw/zinc/27/34/85/222273485.db2.gz FRDUMHRWTJIHIH-ZIAGYGMSSA-N 2 1 302.422 1.551 20 30 DDEDMP C=CCC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000368570546 418722049 /nfs/dbraw/zinc/72/20/49/418722049.db2.gz WCVSZTUFLLFKQT-MSOLQXFVSA-N 2 1 307.482 1.727 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377950312 418717703 /nfs/dbraw/zinc/71/77/03/418717703.db2.gz HLSVZBSBNOBGDX-SFHVURJKSA-N 2 1 323.456 1.803 20 30 DDEDMP CO/N=C/C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368043865 418678097 /nfs/dbraw/zinc/67/80/97/418678097.db2.gz QPBJMZSHGWWHNW-NBVRZTHBSA-N 2 1 324.469 1.273 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376755595 418701187 /nfs/dbraw/zinc/70/11/87/418701187.db2.gz NGNCDSIFWHPVHD-SJPCQFCGSA-N 2 1 320.481 1.903 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C(C)C ZINC000362769305 418759413 /nfs/dbraw/zinc/75/94/13/418759413.db2.gz KNJDXHRKYDNJFY-BRWVUGGUSA-N 2 1 307.482 1.999 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000362850743 418760646 /nfs/dbraw/zinc/76/06/46/418760646.db2.gz MJUJSMRTPNPZSL-INIZCTEOSA-N 2 1 308.470 1.618 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000491701239 421201582 /nfs/dbraw/zinc/20/15/82/421201582.db2.gz WHLSGWKRWAYHQZ-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000519699977 421718385 /nfs/dbraw/zinc/71/83/85/421718385.db2.gz OKUMMRRDLOEXAV-WMLDXEAASA-N 2 1 315.417 1.538 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000136873908 277257610 /nfs/dbraw/zinc/25/76/10/277257610.db2.gz QMFXEBHCTBUYFJ-ZOBUZTSGSA-N 2 1 318.465 1.836 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000070828507 341014748 /nfs/dbraw/zinc/01/47/48/341014748.db2.gz ZCDXBAHYGDMFGS-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414683140 526377392 /nfs/dbraw/zinc/37/73/92/526377392.db2.gz SRVWYVKGFVKOFX-CQSZACIVSA-N 2 1 307.463 1.933 20 30 DDEDMP C=CCOCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000338990381 526771036 /nfs/dbraw/zinc/77/10/36/526771036.db2.gz ODIWHSAXQZERBV-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000491461321 526810099 /nfs/dbraw/zinc/81/00/99/526810099.db2.gz CTTXUZBPWKSSIX-DLBZAZTESA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000491645008 526812566 /nfs/dbraw/zinc/81/25/66/526812566.db2.gz MNEIAFRFFIXRNX-MRXNPFEDSA-N 2 1 306.454 1.069 20 30 DDEDMP C#C[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000491794755 527265497 /nfs/dbraw/zinc/26/54/97/527265497.db2.gz SKWGLGYXEHWLDM-GOSISDBHSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419928 695245051 /nfs/dbraw/zinc/24/50/51/695245051.db2.gz KWCKTYMGAYRHKV-FUHWJXTLSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974655786 695705261 /nfs/dbraw/zinc/70/52/61/695705261.db2.gz YPADTVYQOTVYFZ-IAGOWNOFSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655786 695705264 /nfs/dbraw/zinc/70/52/64/695705264.db2.gz YPADTVYQOTVYFZ-IAGOWNOFSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655786 695705265 /nfs/dbraw/zinc/70/52/65/695705265.db2.gz YPADTVYQOTVYFZ-IAGOWNOFSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978235969 696347457 /nfs/dbraw/zinc/34/74/57/696347457.db2.gz VXVQICAEYLGEQI-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978235969 696347459 /nfs/dbraw/zinc/34/74/59/696347459.db2.gz VXVQICAEYLGEQI-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978235969 696347461 /nfs/dbraw/zinc/34/74/61/696347461.db2.gz VXVQICAEYLGEQI-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978415082 696378966 /nfs/dbraw/zinc/37/89/66/696378966.db2.gz OASPQWMQQLQJQN-WCXIOVBPSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978415082 696378968 /nfs/dbraw/zinc/37/89/68/696378968.db2.gz OASPQWMQQLQJQN-WCXIOVBPSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978415082 696378969 /nfs/dbraw/zinc/37/89/69/696378969.db2.gz OASPQWMQQLQJQN-WCXIOVBPSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981665484 696865869 /nfs/dbraw/zinc/86/58/69/696865869.db2.gz DKTYAFIRQUPGSD-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000981665484 696865872 /nfs/dbraw/zinc/86/58/72/696865872.db2.gz DKTYAFIRQUPGSD-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC000981665484 696865875 /nfs/dbraw/zinc/86/58/75/696865875.db2.gz DKTYAFIRQUPGSD-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767280 696908392 /nfs/dbraw/zinc/90/83/92/696908392.db2.gz LFQHWFAJHGBTLV-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767280 696908393 /nfs/dbraw/zinc/90/83/93/696908393.db2.gz LFQHWFAJHGBTLV-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767280 696908395 /nfs/dbraw/zinc/90/83/95/696908395.db2.gz LFQHWFAJHGBTLV-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981776021 696912155 /nfs/dbraw/zinc/91/21/55/696912155.db2.gz BZQZURFGDBRNPP-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776021 696912161 /nfs/dbraw/zinc/91/21/61/696912161.db2.gz BZQZURFGDBRNPP-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776021 696912164 /nfs/dbraw/zinc/91/21/64/696912164.db2.gz BZQZURFGDBRNPP-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981842323 696940203 /nfs/dbraw/zinc/94/02/03/696940203.db2.gz YUZUVXAWWGKGAJ-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842323 696940205 /nfs/dbraw/zinc/94/02/05/696940205.db2.gz YUZUVXAWWGKGAJ-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842323 696940210 /nfs/dbraw/zinc/94/02/10/696940210.db2.gz YUZUVXAWWGKGAJ-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC000982013533 697003359 /nfs/dbraw/zinc/00/33/59/697003359.db2.gz UUYSGMYDOSTDFS-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000982013533 697003360 /nfs/dbraw/zinc/00/33/60/697003360.db2.gz UUYSGMYDOSTDFS-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000982013533 697003362 /nfs/dbraw/zinc/00/33/62/697003362.db2.gz UUYSGMYDOSTDFS-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982070663 697021625 /nfs/dbraw/zinc/02/16/25/697021625.db2.gz XAQDJEKMUZUDOR-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982070663 697021628 /nfs/dbraw/zinc/02/16/28/697021628.db2.gz XAQDJEKMUZUDOR-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982295728 697086024 /nfs/dbraw/zinc/08/60/24/697086024.db2.gz BUJNLNIPEOHFTA-YTQUADARSA-N 2 1 317.477 1.520 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262784232 698479893 /nfs/dbraw/zinc/47/98/93/698479893.db2.gz LZTWKFMVJSYWET-DEICHXMPSA-N 2 1 322.497 1.718 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn2ccccc2n1 ZINC000303785465 698607001 /nfs/dbraw/zinc/60/70/01/698607001.db2.gz QLVJKEANYGAPDN-HNNXBMFYSA-N 2 1 314.437 1.265 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000303875251 698608296 /nfs/dbraw/zinc/60/82/96/698608296.db2.gz HNFKGQDBDKVBRG-JKSUJKDBSA-N 2 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000303875251 698608301 /nfs/dbraw/zinc/60/83/01/698608301.db2.gz HNFKGQDBDKVBRG-JKSUJKDBSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000303875251 698608303 /nfs/dbraw/zinc/60/83/03/698608303.db2.gz HNFKGQDBDKVBRG-JKSUJKDBSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)NC1CCCCC1 ZINC000303885777 698609177 /nfs/dbraw/zinc/60/91/77/698609177.db2.gz NITATGSUKAGSMM-OAHLLOKOSA-N 2 1 323.485 1.214 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740706 698747757 /nfs/dbraw/zinc/74/77/57/698747757.db2.gz JCXFOVJPSULWPM-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000989740706 698747759 /nfs/dbraw/zinc/74/77/59/698747759.db2.gz JCXFOVJPSULWPM-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991362019 699307036 /nfs/dbraw/zinc/30/70/36/699307036.db2.gz QCTBEIYDYLVEFX-KONPQCLYSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991362019 699307040 /nfs/dbraw/zinc/30/70/40/699307040.db2.gz QCTBEIYDYLVEFX-KONPQCLYSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991362019 699307045 /nfs/dbraw/zinc/30/70/45/699307045.db2.gz QCTBEIYDYLVEFX-KONPQCLYSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC000991362019 699307049 /nfs/dbraw/zinc/30/70/49/699307049.db2.gz QCTBEIYDYLVEFX-KONPQCLYSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000732058218 699545071 /nfs/dbraw/zinc/54/50/71/699545071.db2.gz PHTSYBROYBYRKO-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000732058218 699545073 /nfs/dbraw/zinc/54/50/73/699545073.db2.gz PHTSYBROYBYRKO-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702967 706769306 /nfs/dbraw/zinc/76/93/06/706769306.db2.gz FRHRWSASXCIAHF-MLGOLLRUSA-N 2 1 310.442 1.084 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702967 706769307 /nfs/dbraw/zinc/76/93/07/706769307.db2.gz FRHRWSASXCIAHF-MLGOLLRUSA-N 2 1 310.442 1.084 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000818612364 703940953 /nfs/dbraw/zinc/94/09/53/703940953.db2.gz XOHANZGMFVTFJN-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000818612364 703940959 /nfs/dbraw/zinc/94/09/59/703940959.db2.gz XOHANZGMFVTFJN-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000818612364 703940962 /nfs/dbraw/zinc/94/09/62/703940962.db2.gz XOHANZGMFVTFJN-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000818612364 703940968 /nfs/dbraw/zinc/94/09/68/703940968.db2.gz XOHANZGMFVTFJN-QGZVFWFLSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000820198370 704239129 /nfs/dbraw/zinc/23/91/29/704239129.db2.gz YVLARATWNKCEAN-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876951642 705935569 /nfs/dbraw/zinc/93/55/69/705935569.db2.gz FACZQEKGOCOJQI-FVCCEPFGSA-N 2 1 303.834 1.070 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876951642 705935572 /nfs/dbraw/zinc/93/55/72/705935572.db2.gz FACZQEKGOCOJQI-FVCCEPFGSA-N 2 1 303.834 1.070 20 30 DDEDMP C#CCC1(O)CC[NH+](CCC[NH+]2CCC(O)(CC#C)CC2)CC1 ZINC000880481685 706988144 /nfs/dbraw/zinc/98/81/44/706988144.db2.gz YFXYMEGYXAWSSW-UHFFFAOYSA-N 2 1 318.461 1.077 20 30 DDEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884201023 708186723 /nfs/dbraw/zinc/18/67/23/708186723.db2.gz ORSAQHZBTXIOOI-VXEMLPKJSA-N 2 1 318.465 1.362 20 30 DDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)CC1(C#N)CCC1 ZINC000886080864 708694650 /nfs/dbraw/zinc/69/46/50/708694650.db2.gz GPMICMUYTXRGFK-YYIAUSFCSA-N 2 1 321.465 1.615 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000892852205 710512909 /nfs/dbraw/zinc/51/29/09/710512909.db2.gz XLODYFKYKFXDOM-GDBMZVCRSA-N 2 1 306.454 1.372 20 30 DDEDMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902746033 710887460 /nfs/dbraw/zinc/88/74/60/710887460.db2.gz ZFAVPGRUNOPSCC-HNNXBMFYSA-N 2 1 301.438 1.631 20 30 DDEDMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000903495278 711150840 /nfs/dbraw/zinc/15/08/40/711150840.db2.gz YKCHZXSFDYAYSY-JZXOWHBKSA-N 2 1 313.401 1.313 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000905461277 712043716 /nfs/dbraw/zinc/04/37/16/712043716.db2.gz PNTYFEIOVZFFBI-RBUKOAKNSA-N 2 1 315.461 1.167 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000905461277 712043718 /nfs/dbraw/zinc/04/37/18/712043718.db2.gz PNTYFEIOVZFFBI-RBUKOAKNSA-N 2 1 315.461 1.167 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000908321266 712741180 /nfs/dbraw/zinc/74/11/80/712741180.db2.gz ZPNBKVGOOHXGBH-KRWDZBQOSA-N 2 1 317.433 1.700 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000914219754 713361491 /nfs/dbraw/zinc/36/14/91/713361491.db2.gz BEBROTKBBDIXMB-IAGOWNOFSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C1CC[NH+](C)CC1 ZINC000921877666 713894308 /nfs/dbraw/zinc/89/43/08/713894308.db2.gz DYSRXPMHXBBLGZ-OAHLLOKOSA-N 2 1 318.465 1.376 20 30 DDEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923280437 714295643 /nfs/dbraw/zinc/29/56/43/714295643.db2.gz GJLZLKVWRWIFGG-HOTGVXAUSA-N 2 1 320.433 1.444 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000923424565 714351904 /nfs/dbraw/zinc/35/19/04/714351904.db2.gz GHBULBWTUKATFP-BFHYXJOUSA-N 2 1 313.323 1.661 20 30 DDEDMP N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000923424565 714351907 /nfs/dbraw/zinc/35/19/07/714351907.db2.gz GHBULBWTUKATFP-BFHYXJOUSA-N 2 1 313.323 1.661 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)C2=O)cc1 ZINC000925631319 714903996 /nfs/dbraw/zinc/90/39/96/714903996.db2.gz HJMXMHSXJATICU-GVDBMIGSSA-N 2 1 324.428 1.913 20 30 DDEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000925812511 714941994 /nfs/dbraw/zinc/94/19/94/714941994.db2.gz IFPWJPYVWVJTDE-USXIJHARSA-N 2 1 303.381 1.944 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960269616 716474225 /nfs/dbraw/zinc/47/42/25/716474225.db2.gz RQSQPLSUVFLUPI-CTASWTNQSA-N 2 1 300.406 1.383 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000960269616 716474228 /nfs/dbraw/zinc/47/42/28/716474228.db2.gz RQSQPLSUVFLUPI-CTASWTNQSA-N 2 1 300.406 1.383 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000961376067 716926090 /nfs/dbraw/zinc/92/60/90/716926090.db2.gz CDFUKLHPRMNYHS-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757151 716946758 /nfs/dbraw/zinc/94/67/58/716946758.db2.gz TWRCJLPETHONNJ-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757151 716946760 /nfs/dbraw/zinc/94/67/60/716946760.db2.gz TWRCJLPETHONNJ-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940757151 716946767 /nfs/dbraw/zinc/94/67/67/716946767.db2.gz TWRCJLPETHONNJ-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941238453 717136907 /nfs/dbraw/zinc/13/69/07/717136907.db2.gz WOYCAOOILIHYQT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941238453 717136908 /nfs/dbraw/zinc/13/69/08/717136908.db2.gz WOYCAOOILIHYQT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941238453 717136909 /nfs/dbraw/zinc/13/69/09/717136909.db2.gz WOYCAOOILIHYQT-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC000962271381 717382334 /nfs/dbraw/zinc/38/23/34/717382334.db2.gz MWYZZQTXPVAQLV-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962271381 717382336 /nfs/dbraw/zinc/38/23/36/717382336.db2.gz MWYZZQTXPVAQLV-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC000962271381 717382339 /nfs/dbraw/zinc/38/23/39/717382339.db2.gz MWYZZQTXPVAQLV-XWTMOSNGSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942101608 717480657 /nfs/dbraw/zinc/48/06/57/717480657.db2.gz RNSCGILZHQQHGY-HIFRSBDPSA-N 2 1 319.474 1.883 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755948 718184637 /nfs/dbraw/zinc/18/46/37/718184637.db2.gz JLNBMLGRQLGIKG-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946631611 718859143 /nfs/dbraw/zinc/85/91/43/718859143.db2.gz QHLLCSDESNSELU-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631611 718859147 /nfs/dbraw/zinc/85/91/47/718859147.db2.gz QHLLCSDESNSELU-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631611 718859152 /nfs/dbraw/zinc/85/91/52/718859152.db2.gz QHLLCSDESNSELU-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)CC[C@@H]2C1 ZINC000946859191 718928784 /nfs/dbraw/zinc/92/87/84/718928784.db2.gz NNFAZMRPFJXACJ-IYBDPMFKSA-N 2 1 314.433 1.156 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000967708226 718975028 /nfs/dbraw/zinc/97/50/28/718975028.db2.gz QISCFEZLMYAJGU-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374582 719472831 /nfs/dbraw/zinc/47/28/31/719472831.db2.gz WQWFYRYSQSYYQM-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CCN1CC[C@H](C)[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000968331924 719512684 /nfs/dbraw/zinc/51/26/84/719512684.db2.gz RXROACLYPJCZCW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331924 719512686 /nfs/dbraw/zinc/51/26/86/719512686.db2.gz RXROACLYPJCZCW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331924 719512691 /nfs/dbraw/zinc/51/26/91/719512691.db2.gz RXROACLYPJCZCW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@H](C)[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000968331924 719512693 /nfs/dbraw/zinc/51/26/93/719512693.db2.gz RXROACLYPJCZCW-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948582926 719562290 /nfs/dbraw/zinc/56/22/90/719562290.db2.gz FWFVZDKKKDCCOJ-INIZCTEOSA-N 2 1 303.450 1.561 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968409834 719567407 /nfs/dbraw/zinc/56/74/07/719567407.db2.gz RAPCEAOIETWUNU-HOCLYGCPSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459863 719598406 /nfs/dbraw/zinc/59/84/06/719598406.db2.gz OTUNXMMAYVNMFU-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP Cc1ccnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164682990 719607514 /nfs/dbraw/zinc/60/75/14/719607514.db2.gz GUMGTVRMDOFHRY-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP Cc1ccnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164682990 719607518 /nfs/dbraw/zinc/60/75/18/719607518.db2.gz GUMGTVRMDOFHRY-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968795856 719790974 /nfs/dbraw/zinc/79/09/74/719790974.db2.gz AUDDYLIZBBDICD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968795856 719790978 /nfs/dbraw/zinc/79/09/78/719790978.db2.gz AUDDYLIZBBDICD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968795856 719790981 /nfs/dbraw/zinc/79/09/81/719790981.db2.gz AUDDYLIZBBDICD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968795856 719790984 /nfs/dbraw/zinc/79/09/84/719790984.db2.gz AUDDYLIZBBDICD-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856721 719826907 /nfs/dbraw/zinc/82/69/07/719826907.db2.gz NJXOOIRVGPJKBM-ZWKOTPCHSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919803 719869606 /nfs/dbraw/zinc/86/96/06/719869606.db2.gz LBFWQTBTGVTWSU-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000968919803 719869613 /nfs/dbraw/zinc/86/96/13/719869613.db2.gz LBFWQTBTGVTWSU-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000968919803 719869618 /nfs/dbraw/zinc/86/96/18/719869618.db2.gz LBFWQTBTGVTWSU-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000968919803 719869621 /nfs/dbraw/zinc/86/96/21/719869621.db2.gz LBFWQTBTGVTWSU-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189377 719949694 /nfs/dbraw/zinc/94/96/94/719949694.db2.gz SJFABOCBJCBTBQ-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000970326535 720711770 /nfs/dbraw/zinc/71/17/70/720711770.db2.gz UHMIRJWPXYXOLH-GDBMZVCRSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000970326535 720711774 /nfs/dbraw/zinc/71/17/74/720711774.db2.gz UHMIRJWPXYXOLH-GDBMZVCRSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2nccn2C)C1 ZINC001021638010 733392324 /nfs/dbraw/zinc/39/23/24/733392324.db2.gz GOPUDFZOHJGASC-HZPDHXFCSA-N 2 1 314.433 1.299 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735935 733496164 /nfs/dbraw/zinc/49/61/64/733496164.db2.gz JPWLVOIYWDQVLM-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC)CC[C@H]32)CC1 ZINC001021739645 733500628 /nfs/dbraw/zinc/50/06/28/733500628.db2.gz KTVPREYCGOPRMH-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103579 782356592 /nfs/dbraw/zinc/35/65/92/782356592.db2.gz YZXKEJNPJGQHHT-RFSHTEQGSA-N 2 1 317.477 1.900 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372265 735203712 /nfs/dbraw/zinc/20/37/12/735203712.db2.gz PYCLOGRNKUFFNV-RDJZCZTQSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3nccn32)C1 ZINC001023414470 735220359 /nfs/dbraw/zinc/22/03/59/735220359.db2.gz SYMJZSBDVIQWOI-LSDHHAIUSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414470 735220360 /nfs/dbraw/zinc/22/03/60/735220360.db2.gz SYMJZSBDVIQWOI-LSDHHAIUSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023414470 735220362 /nfs/dbraw/zinc/22/03/62/735220362.db2.gz SYMJZSBDVIQWOI-LSDHHAIUSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447648 735236374 /nfs/dbraw/zinc/23/63/74/735236374.db2.gz SKNVFEANLZJIFP-HOTGVXAUSA-N 2 1 316.449 1.850 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001024467539 735848992 /nfs/dbraw/zinc/84/89/92/735848992.db2.gz GKQSOUJABSWAJA-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001024467539 735848995 /nfs/dbraw/zinc/84/89/95/735848995.db2.gz GKQSOUJABSWAJA-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCC=C ZINC001024487128 735864032 /nfs/dbraw/zinc/86/40/32/735864032.db2.gz MPUXYAYXUPHRGU-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042188883 735913618 /nfs/dbraw/zinc/91/36/18/735913618.db2.gz XDFIURBUZATKED-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087296860 735970239 /nfs/dbraw/zinc/97/02/39/735970239.db2.gz HJFQLHUZXNKLAO-DJIMGWMZSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087296860 735970243 /nfs/dbraw/zinc/97/02/43/735970243.db2.gz HJFQLHUZXNKLAO-DJIMGWMZSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296731 736414310 /nfs/dbraw/zinc/41/43/10/736414310.db2.gz VNRPQDFQOHEYMK-IAGOWNOFSA-N 2 1 314.433 1.670 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001025296731 736414312 /nfs/dbraw/zinc/41/43/12/736414312.db2.gz VNRPQDFQOHEYMK-IAGOWNOFSA-N 2 1 314.433 1.670 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001025818141 736869284 /nfs/dbraw/zinc/86/92/84/736869284.db2.gz ULEJZVNCVVUTCF-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001025818141 736869286 /nfs/dbraw/zinc/86/92/86/736869286.db2.gz ULEJZVNCVVUTCF-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001025818141 736869289 /nfs/dbraw/zinc/86/92/89/736869289.db2.gz ULEJZVNCVVUTCF-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001026140046 737139821 /nfs/dbraw/zinc/13/98/21/737139821.db2.gz BQIOJZNNYGFRKT-DMRKSPOLSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001026528957 737641035 /nfs/dbraw/zinc/64/10/35/737641035.db2.gz FWIIRVIWXKREMA-UHFFFAOYSA-N 2 1 316.449 1.965 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027439864 738296738 /nfs/dbraw/zinc/29/67/38/738296738.db2.gz UJAJRVMEUAAECN-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439864 738296740 /nfs/dbraw/zinc/29/67/40/738296740.db2.gz UJAJRVMEUAAECN-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439864 738296742 /nfs/dbraw/zinc/29/67/42/738296742.db2.gz UJAJRVMEUAAECN-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001027541616 738388902 /nfs/dbraw/zinc/38/89/02/738388902.db2.gz WDMKPGIDLLIVNS-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541616 738388904 /nfs/dbraw/zinc/38/89/04/738388904.db2.gz WDMKPGIDLLIVNS-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001027541616 738388909 /nfs/dbraw/zinc/38/89/09/738388909.db2.gz WDMKPGIDLLIVNS-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103340 739039049 /nfs/dbraw/zinc/03/90/49/739039049.db2.gz NYDAGAZDNSNPST-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103340 739039055 /nfs/dbraw/zinc/03/90/55/739039055.db2.gz NYDAGAZDNSNPST-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001028252518 739235048 /nfs/dbraw/zinc/23/50/48/739235048.db2.gz XAJSLFIKMCSDNF-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001028252518 739235050 /nfs/dbraw/zinc/23/50/50/739235050.db2.gz XAJSLFIKMCSDNF-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028252518 739235052 /nfs/dbraw/zinc/23/50/52/739235052.db2.gz XAJSLFIKMCSDNF-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001028252518 739235054 /nfs/dbraw/zinc/23/50/54/739235054.db2.gz XAJSLFIKMCSDNF-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001028766130 740011317 /nfs/dbraw/zinc/01/13/17/740011317.db2.gz MVECIISEMPRVMF-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766130 740011320 /nfs/dbraw/zinc/01/13/20/740011320.db2.gz MVECIISEMPRVMF-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766130 740011323 /nfs/dbraw/zinc/01/13/23/740011323.db2.gz MVECIISEMPRVMF-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768099 740013803 /nfs/dbraw/zinc/01/38/03/740013803.db2.gz VWUZVVRHKNENPI-GJZGRUSLSA-N 2 1 302.422 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028768099 740013809 /nfs/dbraw/zinc/01/38/09/740013809.db2.gz VWUZVVRHKNENPI-GJZGRUSLSA-N 2 1 302.422 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029108906 740357148 /nfs/dbraw/zinc/35/71/48/740357148.db2.gz VCOPOUINAWHGKU-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC2CC2)CC1 ZINC001029108906 740357151 /nfs/dbraw/zinc/35/71/51/740357151.db2.gz VCOPOUINAWHGKU-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087837124 740777629 /nfs/dbraw/zinc/77/76/29/740777629.db2.gz UZHYOHSBSPMJMW-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@H]1CC ZINC001087837124 740777630 /nfs/dbraw/zinc/77/76/30/740777630.db2.gz UZHYOHSBSPMJMW-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@H]1CC ZINC001087837124 740777631 /nfs/dbraw/zinc/77/76/31/740777631.db2.gz UZHYOHSBSPMJMW-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H]1CC ZINC001087837124 740777633 /nfs/dbraw/zinc/77/76/33/740777633.db2.gz UZHYOHSBSPMJMW-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964081 740890810 /nfs/dbraw/zinc/89/08/10/740890810.db2.gz VQFSSCHTYVVZII-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964081 740890813 /nfs/dbraw/zinc/89/08/13/740890813.db2.gz VQFSSCHTYVVZII-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964081 740890816 /nfs/dbraw/zinc/89/08/16/740890816.db2.gz VQFSSCHTYVVZII-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=C)C)CC[C@@H]2C1 ZINC001087998126 740939596 /nfs/dbraw/zinc/93/95/96/740939596.db2.gz SIBNCJJUDCGARI-SQNIBIBYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=C)C)CC[C@@H]2C1 ZINC001087998126 740939598 /nfs/dbraw/zinc/93/95/98/740939598.db2.gz SIBNCJJUDCGARI-SQNIBIBYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=C)C)CC[C@@H]2C1 ZINC001087998126 740939602 /nfs/dbraw/zinc/93/96/02/740939602.db2.gz SIBNCJJUDCGARI-SQNIBIBYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=C)C)CC[C@@H]2C1 ZINC001087998126 740939606 /nfs/dbraw/zinc/93/96/06/740939606.db2.gz SIBNCJJUDCGARI-SQNIBIBYSA-N 2 1 315.461 1.440 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011440 740946121 /nfs/dbraw/zinc/94/61/21/740946121.db2.gz NBGXIWJNIKZJDQ-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011440 740946124 /nfs/dbraw/zinc/94/61/24/740946124.db2.gz NBGXIWJNIKZJDQ-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011440 740946126 /nfs/dbraw/zinc/94/61/26/740946126.db2.gz NBGXIWJNIKZJDQ-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011440 740946128 /nfs/dbraw/zinc/94/61/28/740946128.db2.gz NBGXIWJNIKZJDQ-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882767 741657484 /nfs/dbraw/zinc/65/74/84/741657484.db2.gz QWLFHHOYIDRHPP-HRCADAONSA-N 2 1 314.433 1.869 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882767 741657488 /nfs/dbraw/zinc/65/74/88/741657488.db2.gz QWLFHHOYIDRHPP-HRCADAONSA-N 2 1 314.433 1.869 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168240481 741837724 /nfs/dbraw/zinc/83/77/24/741837724.db2.gz LSTCFNRTYBYHPG-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168240481 741837727 /nfs/dbraw/zinc/83/77/27/741837727.db2.gz LSTCFNRTYBYHPG-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250554 742225158 /nfs/dbraw/zinc/22/51/58/742225158.db2.gz QYZDYFORQTVKOI-FUHWJXTLSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088823863 742464729 /nfs/dbraw/zinc/46/47/29/742464729.db2.gz GOZBBDSGCIDITK-UNEWFSDZSA-N 2 1 314.433 1.356 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088823863 742464734 /nfs/dbraw/zinc/46/47/34/742464734.db2.gz GOZBBDSGCIDITK-UNEWFSDZSA-N 2 1 314.433 1.356 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242893 742622746 /nfs/dbraw/zinc/62/27/46/742622746.db2.gz VTNZQYDFTSGZJL-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242893 742622749 /nfs/dbraw/zinc/62/27/49/742622749.db2.gz VTNZQYDFTSGZJL-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242893 742622751 /nfs/dbraw/zinc/62/27/51/742622751.db2.gz VTNZQYDFTSGZJL-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040370137 743035622 /nfs/dbraw/zinc/03/56/22/743035622.db2.gz XMMJLEIPTVBIQU-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001040395325 743494451 /nfs/dbraw/zinc/49/44/51/743494451.db2.gz OFHPPLVOPFITKU-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395325 743494454 /nfs/dbraw/zinc/49/44/54/743494454.db2.gz OFHPPLVOPFITKU-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001040395325 743494456 /nfs/dbraw/zinc/49/44/56/743494456.db2.gz OFHPPLVOPFITKU-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001183353965 743821840 /nfs/dbraw/zinc/82/18/40/743821840.db2.gz JEIIOXRYLNNRAU-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCF)C1 ZINC001183353965 743821845 /nfs/dbraw/zinc/82/18/45/743821845.db2.gz JEIIOXRYLNNRAU-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001183827123 743921218 /nfs/dbraw/zinc/92/12/18/743921218.db2.gz WLAJCWFYQHKSJG-OAHLLOKOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001184577690 744064364 /nfs/dbraw/zinc/06/43/64/744064364.db2.gz NHHXEYNCYMFZEZ-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184691953 744081274 /nfs/dbraw/zinc/08/12/74/744081274.db2.gz BRTSFTDCAKEMMQ-KBPBESRZSA-N 2 1 318.421 1.057 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355849 744383407 /nfs/dbraw/zinc/38/34/07/744383407.db2.gz PNYVNTONPHXALA-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@H]12 ZINC000992429040 744871366 /nfs/dbraw/zinc/87/13/66/744871366.db2.gz MIDFWAIXKOKAIY-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992429040 744871370 /nfs/dbraw/zinc/87/13/70/744871370.db2.gz MIDFWAIXKOKAIY-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC000992429040 744871372 /nfs/dbraw/zinc/87/13/72/744871372.db2.gz MIDFWAIXKOKAIY-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992429032 744871682 /nfs/dbraw/zinc/87/16/82/744871682.db2.gz MIDFWAIXKOKAIY-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992429032 744871684 /nfs/dbraw/zinc/87/16/84/744871684.db2.gz MIDFWAIXKOKAIY-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992429032 744871686 /nfs/dbraw/zinc/87/16/86/744871686.db2.gz MIDFWAIXKOKAIY-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001192152418 745701351 /nfs/dbraw/zinc/70/13/51/745701351.db2.gz HEHXTZVQJUIOQU-CYBMUJFWSA-N 2 1 320.462 1.604 20 30 DDEDMP C[NH+](C)CCN1CC[N@H+](Cc2cccc(C#N)c2)CCC1=O ZINC001203764181 745887321 /nfs/dbraw/zinc/88/73/21/745887321.db2.gz BGAUTFJESRFUOV-UHFFFAOYSA-N 2 1 300.406 1.154 20 30 DDEDMP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(C#N)c2)CCC1=O ZINC001203764181 745887325 /nfs/dbraw/zinc/88/73/25/745887325.db2.gz BGAUTFJESRFUOV-UHFFFAOYSA-N 2 1 300.406 1.154 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993684862 746275205 /nfs/dbraw/zinc/27/52/05/746275205.db2.gz PIXCXYLGULQMHG-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197000348 747029391 /nfs/dbraw/zinc/02/93/91/747029391.db2.gz FCQCXRMSMSHTMB-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197000348 747029396 /nfs/dbraw/zinc/02/93/96/747029396.db2.gz FCQCXRMSMSHTMB-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001197000348 747029398 /nfs/dbraw/zinc/02/93/98/747029398.db2.gz FCQCXRMSMSHTMB-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1([NH+](C)C)CCC1 ZINC001089820530 747971376 /nfs/dbraw/zinc/97/13/76/747971376.db2.gz NLSBQEUILGDFQZ-YVSFHVDLSA-N 2 1 315.461 1.273 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001200894101 748361902 /nfs/dbraw/zinc/36/19/02/748361902.db2.gz MMOUANDPFKQXNR-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004366293 748367020 /nfs/dbraw/zinc/36/70/20/748367020.db2.gz BJEKMSNNRVKHSA-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004366293 748367027 /nfs/dbraw/zinc/36/70/27/748367027.db2.gz BJEKMSNNRVKHSA-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004366293 748367035 /nfs/dbraw/zinc/36/70/35/748367035.db2.gz BJEKMSNNRVKHSA-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004369950 748372780 /nfs/dbraw/zinc/37/27/80/748372780.db2.gz GQTBNHRDPYDMQL-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004369950 748372789 /nfs/dbraw/zinc/37/27/89/748372789.db2.gz GQTBNHRDPYDMQL-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004369950 748372797 /nfs/dbraw/zinc/37/27/97/748372797.db2.gz GQTBNHRDPYDMQL-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](CC)OC)CC1 ZINC001201093499 748408357 /nfs/dbraw/zinc/40/83/57/748408357.db2.gz ANZGKPFQPKMZRI-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](CC)OC)CC1 ZINC001201093499 748408362 /nfs/dbraw/zinc/40/83/62/748408362.db2.gz ANZGKPFQPKMZRI-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151584 748626584 /nfs/dbraw/zinc/62/65/84/748626584.db2.gz KGNFRIZIKLRYFF-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151584 748626591 /nfs/dbraw/zinc/62/65/91/748626591.db2.gz KGNFRIZIKLRYFF-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033151584 748626598 /nfs/dbraw/zinc/62/65/98/748626598.db2.gz KGNFRIZIKLRYFF-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033151584 748626602 /nfs/dbraw/zinc/62/66/02/748626602.db2.gz KGNFRIZIKLRYFF-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001114368353 749116043 /nfs/dbraw/zinc/11/60/43/749116043.db2.gz KJMSTKKCSREUNY-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114368353 749116045 /nfs/dbraw/zinc/11/60/45/749116045.db2.gz KJMSTKKCSREUNY-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CCC ZINC001114368353 749116050 /nfs/dbraw/zinc/11/60/50/749116050.db2.gz KJMSTKKCSREUNY-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296665 749139304 /nfs/dbraw/zinc/13/93/04/749139304.db2.gz XDKINJUPZOWALZ-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388101 761987823 /nfs/dbraw/zinc/98/78/23/761987823.db2.gz ADXSRCMQHUMLTE-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388101 761987827 /nfs/dbraw/zinc/98/78/27/761987827.db2.gz ADXSRCMQHUMLTE-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388101 761987830 /nfs/dbraw/zinc/98/78/30/761987830.db2.gz ADXSRCMQHUMLTE-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034015492 750253673 /nfs/dbraw/zinc/25/36/73/750253673.db2.gz HNWTZPKYJBNJRC-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001034046664 750314669 /nfs/dbraw/zinc/31/46/69/750314669.db2.gz TYYIBNQKISKDPH-QGZVFWFLSA-N 2 1 323.456 1.614 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034047700 750315074 /nfs/dbraw/zinc/31/50/74/750315074.db2.gz JXUPRTIEXUMOTB-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034047700 750315082 /nfs/dbraw/zinc/31/50/82/750315082.db2.gz JXUPRTIEXUMOTB-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034047700 750315085 /nfs/dbraw/zinc/31/50/85/750315085.db2.gz JXUPRTIEXUMOTB-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034047700 750315092 /nfs/dbraw/zinc/31/50/92/750315092.db2.gz JXUPRTIEXUMOTB-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152364 750393478 /nfs/dbraw/zinc/39/34/78/750393478.db2.gz VAYLYQGXJFMBCF-OAGGEKHMSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111152364 750393483 /nfs/dbraw/zinc/39/34/83/750393483.db2.gz VAYLYQGXJFMBCF-OAGGEKHMSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034535560 750537165 /nfs/dbraw/zinc/53/71/65/750537165.db2.gz SGXJJLOPEDYQTK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535560 750537168 /nfs/dbraw/zinc/53/71/68/750537168.db2.gz SGXJJLOPEDYQTK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535560 750537170 /nfs/dbraw/zinc/53/71/70/750537170.db2.gz SGXJJLOPEDYQTK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034535560 750537173 /nfs/dbraw/zinc/53/71/73/750537173.db2.gz SGXJJLOPEDYQTK-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401087 762052354 /nfs/dbraw/zinc/05/23/54/762052354.db2.gz MGAHESGZVWSVEM-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401087 762052364 /nfs/dbraw/zinc/05/23/64/762052364.db2.gz MGAHESGZVWSVEM-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001005586137 750669936 /nfs/dbraw/zinc/66/99/36/750669936.db2.gz VJZRHGVPRPCKMV-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470477 762061070 /nfs/dbraw/zinc/06/10/70/762061070.db2.gz DOONNCFNKUXYJD-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001039470477 762061079 /nfs/dbraw/zinc/06/10/79/762061079.db2.gz DOONNCFNKUXYJD-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001114774595 751072592 /nfs/dbraw/zinc/07/25/92/751072592.db2.gz QZPACARFVRIHIW-FOLVSLTJSA-N 2 1 318.446 1.118 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001114829315 751167972 /nfs/dbraw/zinc/16/79/72/751167972.db2.gz VDAFACOKWQSKAS-TWMKSMIVSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001114852006 751235098 /nfs/dbraw/zinc/23/50/98/751235098.db2.gz NGKRKZVWQKUXMV-CBZIJGRNSA-N 2 1 321.465 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997871684 751330172 /nfs/dbraw/zinc/33/01/72/751330172.db2.gz PMQAJQBTTJXKNR-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997871684 751330178 /nfs/dbraw/zinc/33/01/78/751330178.db2.gz PMQAJQBTTJXKNR-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CCN1CCC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008998067 753028607 /nfs/dbraw/zinc/02/86/07/753028607.db2.gz ZEOMFBQIRQXVFQ-INIZCTEOSA-N 2 1 323.400 1.485 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005869548 753283346 /nfs/dbraw/zinc/28/33/46/753283346.db2.gz MLHNWQRRNASBPA-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005869548 753283348 /nfs/dbraw/zinc/28/33/48/753283348.db2.gz MLHNWQRRNASBPA-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CCC(=C)C)CC1 ZINC001000791129 762205896 /nfs/dbraw/zinc/20/58/96/762205896.db2.gz MQJJODSBBXITAI-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001000791129 762205899 /nfs/dbraw/zinc/20/58/99/762205899.db2.gz MQJJODSBBXITAI-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC(=C)C)CC1 ZINC001000791129 762205901 /nfs/dbraw/zinc/20/59/01/762205901.db2.gz MQJJODSBBXITAI-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCC(=C)C)CC1 ZINC001000791129 762205904 /nfs/dbraw/zinc/20/59/04/762205904.db2.gz MQJJODSBBXITAI-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000843276 762256267 /nfs/dbraw/zinc/25/62/67/762256267.db2.gz VCUBNGNCCHXVQA-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000843276 762256273 /nfs/dbraw/zinc/25/62/73/762256273.db2.gz VCUBNGNCCHXVQA-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000843276 762256278 /nfs/dbraw/zinc/25/62/78/762256278.db2.gz VCUBNGNCCHXVQA-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001001472469 754333765 /nfs/dbraw/zinc/33/37/65/754333765.db2.gz ROAZOHQRYRUBOJ-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001001472469 754333772 /nfs/dbraw/zinc/33/37/72/754333772.db2.gz ROAZOHQRYRUBOJ-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001001472469 754333775 /nfs/dbraw/zinc/33/37/75/754333775.db2.gz ROAZOHQRYRUBOJ-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014432295 755733012 /nfs/dbraw/zinc/73/30/12/755733012.db2.gz IHFIZNJWEZYLHY-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014432295 755733016 /nfs/dbraw/zinc/73/30/16/755733016.db2.gz IHFIZNJWEZYLHY-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014432295 755733022 /nfs/dbraw/zinc/73/30/22/755733022.db2.gz IHFIZNJWEZYLHY-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310736 755842980 /nfs/dbraw/zinc/84/29/80/755842980.db2.gz CLIBBPKWQHEPSO-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001080310736 755842984 /nfs/dbraw/zinc/84/29/84/755842984.db2.gz CLIBBPKWQHEPSO-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001080310736 755842988 /nfs/dbraw/zinc/84/29/88/755842988.db2.gz CLIBBPKWQHEPSO-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342120 755858446 /nfs/dbraw/zinc/85/84/46/755858446.db2.gz IKLLIPARLXFVDH-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342120 755858452 /nfs/dbraw/zinc/85/84/52/755858452.db2.gz IKLLIPARLXFVDH-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001081840498 756510305 /nfs/dbraw/zinc/51/03/05/756510305.db2.gz JKNIXQNYNSHQKW-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001040281858 762474523 /nfs/dbraw/zinc/47/45/23/762474523.db2.gz SAMAHMUCHBLRRW-SFHVURJKSA-N 2 1 315.461 1.563 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001084349514 757506139 /nfs/dbraw/zinc/50/61/39/757506139.db2.gz OZLFMFASIMAGKR-FGTMMUONSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016987635 757533172 /nfs/dbraw/zinc/53/31/72/757533172.db2.gz YASWBJRALZCOKD-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084389270 757548787 /nfs/dbraw/zinc/54/87/87/757548787.db2.gz ZQQRCXWKKNWVPP-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389270 757548796 /nfs/dbraw/zinc/54/87/96/757548796.db2.gz ZQQRCXWKKNWVPP-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084389270 757548799 /nfs/dbraw/zinc/54/87/99/757548799.db2.gz ZQQRCXWKKNWVPP-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607277 757704919 /nfs/dbraw/zinc/70/49/19/757704919.db2.gz QOIKATABFGQIAD-ZACQAIPSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607277 757704922 /nfs/dbraw/zinc/70/49/22/757704922.db2.gz QOIKATABFGQIAD-ZACQAIPSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607277 757704926 /nfs/dbraw/zinc/70/49/26/757704926.db2.gz QOIKATABFGQIAD-ZACQAIPSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084607277 757704930 /nfs/dbraw/zinc/70/49/30/757704930.db2.gz QOIKATABFGQIAD-ZACQAIPSSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700950 757791794 /nfs/dbraw/zinc/79/17/94/757791794.db2.gz IFHDXWSFNNHEAG-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040528490 762579479 /nfs/dbraw/zinc/57/94/79/762579479.db2.gz LYBPDNLCAPSJAE-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001085049211 758178952 /nfs/dbraw/zinc/17/89/52/758178952.db2.gz JMRVTZYGNAMVTM-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049211 758178953 /nfs/dbraw/zinc/17/89/53/758178953.db2.gz JMRVTZYGNAMVTM-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@@H]21 ZINC001085049211 758178954 /nfs/dbraw/zinc/17/89/54/758178954.db2.gz JMRVTZYGNAMVTM-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018093472 758542089 /nfs/dbraw/zinc/54/20/89/758542089.db2.gz MPLYHPXYRMUGGI-CALCHBBNSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001018093472 758542097 /nfs/dbraw/zinc/54/20/97/758542097.db2.gz MPLYHPXYRMUGGI-CALCHBBNSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CO2 ZINC001053807533 758836278 /nfs/dbraw/zinc/83/62/78/758836278.db2.gz LJVBUHUXSQGGMR-HRCADAONSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CO2 ZINC001053807533 758836286 /nfs/dbraw/zinc/83/62/86/758836286.db2.gz LJVBUHUXSQGGMR-HRCADAONSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001253066 762699338 /nfs/dbraw/zinc/69/93/38/762699338.db2.gz OSPXGUNQPZAVLI-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001253066 762699344 /nfs/dbraw/zinc/69/93/44/762699344.db2.gz OSPXGUNQPZAVLI-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001253066 762699346 /nfs/dbraw/zinc/69/93/46/762699346.db2.gz OSPXGUNQPZAVLI-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086197322 761156892 /nfs/dbraw/zinc/15/68/92/761156892.db2.gz DDOACDSQXISBOF-KFWWJZLASA-N 2 1 302.422 1.424 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001038809476 761427140 /nfs/dbraw/zinc/42/71/40/761427140.db2.gz IKKDMIKMZNHZJF-MRXNPFEDSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000028170 761462430 /nfs/dbraw/zinc/46/24/30/761462430.db2.gz SDNMRFBNGRILMJ-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038897279 761522269 /nfs/dbraw/zinc/52/22/69/761522269.db2.gz UDURBMKGILQPOV-KRWDZBQOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086459951 761648171 /nfs/dbraw/zinc/64/81/71/761648171.db2.gz BVSNVERSLVMKHO-RBSFLKMASA-N 2 1 302.422 1.424 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100115866 761812648 /nfs/dbraw/zinc/81/26/48/761812648.db2.gz GVSSLZZDOSBLRC-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](F)CC)CC1 ZINC001001491867 762912411 /nfs/dbraw/zinc/91/24/11/762912411.db2.gz LWNVIYFINGZSIT-IRXDYDNUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](F)CC)CC1 ZINC001001491867 762912413 /nfs/dbraw/zinc/91/24/13/762912413.db2.gz LWNVIYFINGZSIT-IRXDYDNUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183682 763280172 /nfs/dbraw/zinc/28/01/72/763280172.db2.gz MSHHSSOGEJETDG-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183682 763280174 /nfs/dbraw/zinc/28/01/74/763280174.db2.gz MSHHSSOGEJETDG-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183682 763280179 /nfs/dbraw/zinc/28/01/79/763280179.db2.gz MSHHSSOGEJETDG-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001050208982 763325798 /nfs/dbraw/zinc/32/57/98/763325798.db2.gz XKIBUBSGFAEFLC-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050661835 763884569 /nfs/dbraw/zinc/88/45/69/763884569.db2.gz DHUBAFZXXMDDCO-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050665521 763891391 /nfs/dbraw/zinc/89/13/91/763891391.db2.gz ZMFJBNJBANEMGK-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042312735 763899559 /nfs/dbraw/zinc/89/95/59/763899559.db2.gz GBQDGYRXUXADOP-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109845053 764126061 /nfs/dbraw/zinc/12/60/61/764126061.db2.gz RXNRIXNZOKNOJQ-IKGGRYGDSA-N 2 1 314.433 1.717 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCn1cc[nH+]c1C)C2 ZINC001109845053 764126066 /nfs/dbraw/zinc/12/60/66/764126066.db2.gz RXNRIXNZOKNOJQ-IKGGRYGDSA-N 2 1 314.433 1.717 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131682027 768258954 /nfs/dbraw/zinc/25/89/54/768258954.db2.gz LPSRBSVXKJVXST-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CC2([NH+](C)C)CCCC2)CC1 ZINC001113161008 765352615 /nfs/dbraw/zinc/35/26/15/765352615.db2.gz QPZQXDSFLMLQRG-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045584588 766419915 /nfs/dbraw/zinc/41/99/15/766419915.db2.gz HZKOCSKQJVMMKU-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045921219 766703114 /nfs/dbraw/zinc/70/31/14/766703114.db2.gz HZSDTRVFCBNEPK-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921219 766703125 /nfs/dbraw/zinc/70/31/25/766703125.db2.gz HZSDTRVFCBNEPK-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045921219 766703132 /nfs/dbraw/zinc/70/31/32/766703132.db2.gz HZSDTRVFCBNEPK-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086623502 766938507 /nfs/dbraw/zinc/93/85/07/766938507.db2.gz IALYZEQOSCRSBA-FGTMMUONSA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086623502 766938516 /nfs/dbraw/zinc/93/85/16/766938516.db2.gz IALYZEQOSCRSBA-FGTMMUONSA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623502 766938526 /nfs/dbraw/zinc/93/85/26/766938526.db2.gz IALYZEQOSCRSBA-FGTMMUONSA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001086623502 766938534 /nfs/dbraw/zinc/93/85/34/766938534.db2.gz IALYZEQOSCRSBA-FGTMMUONSA-N 2 1 311.429 1.156 20 30 DDEDMP C=CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001130452509 767539273 /nfs/dbraw/zinc/53/92/73/767539273.db2.gz GQUVWMZEIWMZQH-AWEZNQCLSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130452509 767539278 /nfs/dbraw/zinc/53/92/78/767539278.db2.gz GQUVWMZEIWMZQH-AWEZNQCLSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130452509 767539284 /nfs/dbraw/zinc/53/92/84/767539284.db2.gz GQUVWMZEIWMZQH-AWEZNQCLSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001111678482 767673596 /nfs/dbraw/zinc/67/35/96/767673596.db2.gz GVRSTXSNLAQODW-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001046625681 767748890 /nfs/dbraw/zinc/74/88/90/767748890.db2.gz JTEOCQXHDXYAJY-IBGZPJMESA-N 2 1 313.445 1.618 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001047439711 768478292 /nfs/dbraw/zinc/47/82/92/768478292.db2.gz QJYVYMCLUPGRAJ-ULQDDVLXSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)C[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439711 768478295 /nfs/dbraw/zinc/47/82/95/768478295.db2.gz QJYVYMCLUPGRAJ-ULQDDVLXSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439711 768478298 /nfs/dbraw/zinc/47/82/98/768478298.db2.gz QJYVYMCLUPGRAJ-ULQDDVLXSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001047439711 768478302 /nfs/dbraw/zinc/47/83/02/768478302.db2.gz QJYVYMCLUPGRAJ-ULQDDVLXSA-N 2 1 323.481 1.186 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@@H]1C ZINC001132127756 768639724 /nfs/dbraw/zinc/63/97/24/768639724.db2.gz CPZCSAIVRCGENF-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@H]1C ZINC001132210886 768677746 /nfs/dbraw/zinc/67/77/46/768677746.db2.gz KRDRWJCWZYYTLZ-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001098479117 768913111 /nfs/dbraw/zinc/91/31/11/768913111.db2.gz SOJFWLKVEYQILW-WBVHZDCISA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479117 768913117 /nfs/dbraw/zinc/91/31/17/768913117.db2.gz SOJFWLKVEYQILW-WBVHZDCISA-N 2 1 323.481 1.046 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001098479117 768913121 /nfs/dbraw/zinc/91/31/21/768913121.db2.gz SOJFWLKVEYQILW-WBVHZDCISA-N 2 1 323.481 1.046 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525679 768946043 /nfs/dbraw/zinc/94/60/43/768946043.db2.gz UJIZIUPVFCFQIO-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133318097 769706072 /nfs/dbraw/zinc/70/60/72/769706072.db2.gz FCCPLSKWBUVLDO-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818732 769940225 /nfs/dbraw/zinc/94/02/25/769940225.db2.gz LQOPKUZKHBIXFE-FJIDUMEYSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818732 769940230 /nfs/dbraw/zinc/94/02/30/769940230.db2.gz LQOPKUZKHBIXFE-FJIDUMEYSA-N 2 1 315.461 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818732 769940234 /nfs/dbraw/zinc/94/02/34/769940234.db2.gz LQOPKUZKHBIXFE-FJIDUMEYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCF)C2)CC1 ZINC001072099668 770541386 /nfs/dbraw/zinc/54/13/86/770541386.db2.gz VKSMOGJJGCNVRQ-NVXWUHKLSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049232945 770578774 /nfs/dbraw/zinc/57/87/74/770578774.db2.gz FVMFCFBSRWYXAR-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001049538488 770999315 /nfs/dbraw/zinc/99/93/15/770999315.db2.gz WUROBCWEIWOYHH-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049538488 770999318 /nfs/dbraw/zinc/99/93/18/770999318.db2.gz WUROBCWEIWOYHH-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001049538488 770999356 /nfs/dbraw/zinc/99/93/56/770999356.db2.gz WUROBCWEIWOYHH-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049919958 771260869 /nfs/dbraw/zinc/26/08/69/771260869.db2.gz QKCZJCTWVGFWJQ-ROUUACIJSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCF)CC1 ZINC001096608292 771290811 /nfs/dbraw/zinc/29/08/11/771290811.db2.gz USDDYOHLLGIJIB-IKGGRYGDSA-N 2 1 321.440 1.413 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135690403 771656026 /nfs/dbraw/zinc/65/60/26/771656026.db2.gz HCJRSCMITKFSPB-IAGOWNOFSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001090649427 772074196 /nfs/dbraw/zinc/07/41/96/772074196.db2.gz DNTGVHKNRJJWPK-IRXDYDNUSA-N 2 1 317.433 1.099 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](O)C1 ZINC001090691190 772112995 /nfs/dbraw/zinc/11/29/95/772112995.db2.gz ADTDEQYAESUQKE-DLBZAZTESA-N 2 1 323.481 1.234 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801388 773423697 /nfs/dbraw/zinc/42/36/97/773423697.db2.gz KBGLVEIYFVULCL-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801388 773423702 /nfs/dbraw/zinc/42/37/02/773423702.db2.gz KBGLVEIYFVULCL-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801388 773423705 /nfs/dbraw/zinc/42/37/05/773423705.db2.gz KBGLVEIYFVULCL-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C2)C1 ZINC001148477537 773483288 /nfs/dbraw/zinc/48/32/88/773483288.db2.gz WXVFAIIRWUZNHC-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620632 774202534 /nfs/dbraw/zinc/20/25/34/774202534.db2.gz SMZWMPSHIBLFJQ-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620632 774202537 /nfs/dbraw/zinc/20/25/37/774202537.db2.gz SMZWMPSHIBLFJQ-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620632 774202539 /nfs/dbraw/zinc/20/25/39/774202539.db2.gz SMZWMPSHIBLFJQ-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036773474 774566934 /nfs/dbraw/zinc/56/69/34/774566934.db2.gz ODIRYLLPIDAGTF-YJBOKZPZSA-N 2 1 322.412 1.894 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773794 774568814 /nfs/dbraw/zinc/56/88/14/774568814.db2.gz TWERWXNECAMFGE-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773794 774568819 /nfs/dbraw/zinc/56/88/19/774568819.db2.gz TWERWXNECAMFGE-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC#CC)CC1 ZINC001098461322 774587348 /nfs/dbraw/zinc/58/73/48/774587348.db2.gz WLUQQUQMDCXPCY-KURKYZTESA-N 2 1 313.445 1.076 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001098875503 774701620 /nfs/dbraw/zinc/70/16/20/774701620.db2.gz QVQNNGCQZNXTCJ-MPGHIAIKSA-N 2 1 312.417 1.364 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001098875503 774701624 /nfs/dbraw/zinc/70/16/24/774701624.db2.gz QVQNNGCQZNXTCJ-MPGHIAIKSA-N 2 1 312.417 1.364 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467310 774866137 /nfs/dbraw/zinc/86/61/37/774866137.db2.gz DWIHROJFSROMPP-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598738 775057310 /nfs/dbraw/zinc/05/73/10/775057310.db2.gz LKUSRYLLICQHCW-MRXNPFEDSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598738 775057318 /nfs/dbraw/zinc/05/73/18/775057318.db2.gz LKUSRYLLICQHCW-MRXNPFEDSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC2(CCOCC2)C1 ZINC001099598738 775057327 /nfs/dbraw/zinc/05/73/27/775057327.db2.gz LKUSRYLLICQHCW-MRXNPFEDSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001149804605 775196992 /nfs/dbraw/zinc/19/69/92/775196992.db2.gz RZWSXUKVRBDRFA-LSDHHAIUSA-N 2 1 315.433 1.059 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927332 777635266 /nfs/dbraw/zinc/63/52/66/777635266.db2.gz COCAXDZDAIIVMO-GDBMZVCRSA-N 2 1 316.449 1.652 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001176165430 778075159 /nfs/dbraw/zinc/07/51/59/778075159.db2.gz LJTKIXYBEQSHMK-DLBZAZTESA-N 2 1 323.481 1.243 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176754349 778243914 /nfs/dbraw/zinc/24/39/14/778243914.db2.gz TYGMCSPSYBLYJR-INIZCTEOSA-N 2 1 311.470 1.241 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001177150214 778462384 /nfs/dbraw/zinc/46/23/84/778462384.db2.gz JHCOMDGUQZHJOJ-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001177150214 778462385 /nfs/dbraw/zinc/46/23/85/778462385.db2.gz JHCOMDGUQZHJOJ-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001177478054 778634944 /nfs/dbraw/zinc/63/49/44/778634944.db2.gz QSCVMRADQGBRPK-KRWDZBQOSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178908391 779224363 /nfs/dbraw/zinc/22/43/63/779224363.db2.gz PFBOLJIRJHWERZ-UHFFFAOYSA-N 2 1 320.437 1.639 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001111986825 779590291 /nfs/dbraw/zinc/59/02/91/779590291.db2.gz AWBPQVWBOQQSMK-HKUYNNGSSA-N 2 1 317.477 1.856 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115303854 780022113 /nfs/dbraw/zinc/02/21/13/780022113.db2.gz LHRSVINLYMEUQJ-MLHJIOFPSA-N 2 1 313.445 1.912 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115303854 780022118 /nfs/dbraw/zinc/02/21/18/780022118.db2.gz LHRSVINLYMEUQJ-MLHJIOFPSA-N 2 1 313.445 1.912 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001267324768 837828871 /nfs/dbraw/zinc/82/88/71/837828871.db2.gz SYPXPURURHLUCX-UHFFFAOYSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001267324768 837828880 /nfs/dbraw/zinc/82/88/80/837828880.db2.gz SYPXPURURHLUCX-UHFFFAOYSA-N 2 1 304.438 1.856 20 30 DDEDMP C=CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001266817319 836878870 /nfs/dbraw/zinc/87/88/70/836878870.db2.gz GXULPMDHHROOBF-HNNXBMFYSA-N 2 1 320.437 1.005 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267465462 838112266 /nfs/dbraw/zinc/11/22/66/838112266.db2.gz GKKGDBRWBTUOJK-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267465462 838112270 /nfs/dbraw/zinc/11/22/70/838112270.db2.gz GKKGDBRWBTUOJK-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267465462 838112274 /nfs/dbraw/zinc/11/22/74/838112274.db2.gz GKKGDBRWBTUOJK-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267548135 838285930 /nfs/dbraw/zinc/28/59/30/838285930.db2.gz ZFIGQCPHGPTTJP-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001267548135 838285937 /nfs/dbraw/zinc/28/59/37/838285937.db2.gz ZFIGQCPHGPTTJP-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267548135 838285945 /nfs/dbraw/zinc/28/59/45/838285945.db2.gz ZFIGQCPHGPTTJP-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267548699 838287506 /nfs/dbraw/zinc/28/75/06/838287506.db2.gz LGSKVJNJALAZMQ-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267548699 838287515 /nfs/dbraw/zinc/28/75/15/838287515.db2.gz LGSKVJNJALAZMQ-SJORKVTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001272024258 844349618 /nfs/dbraw/zinc/34/96/18/844349618.db2.gz NISNSRPZZAGUIQ-IXDOHACOSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001267710705 838696452 /nfs/dbraw/zinc/69/64/52/838696452.db2.gz YYZOECDFOUDNKI-HOTGVXAUSA-N 2 1 319.449 1.103 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001267710705 838696459 /nfs/dbraw/zinc/69/64/59/838696459.db2.gz YYZOECDFOUDNKI-HOTGVXAUSA-N 2 1 319.449 1.103 20 30 DDEDMP C=C(C)C[NH2+]CCN(CC)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001268452226 840218249 /nfs/dbraw/zinc/21/82/49/840218249.db2.gz ZPXFUSPBOGVKLG-MRXNPFEDSA-N 2 1 319.453 1.804 20 30 DDEDMP C=C(C)C[NH2+]CCN(CC)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001268452226 840218261 /nfs/dbraw/zinc/21/82/61/840218261.db2.gz ZPXFUSPBOGVKLG-MRXNPFEDSA-N 2 1 319.453 1.804 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269150928 841270269 /nfs/dbraw/zinc/27/02/69/841270269.db2.gz FATZOESOCNUEEH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001269150928 841270272 /nfs/dbraw/zinc/27/02/72/841270272.db2.gz FATZOESOCNUEEH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001269553117 841759190 /nfs/dbraw/zinc/75/91/90/841759190.db2.gz NROLKIFDFVXBJK-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001269579405 841778743 /nfs/dbraw/zinc/77/87/43/841778743.db2.gz JUBNTASDIBLMKV-MGNMYUMUSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001326364711 861306194 /nfs/dbraw/zinc/30/61/94/861306194.db2.gz MQZSRWBEOYSEMI-MRXNPFEDSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001270339190 842499621 /nfs/dbraw/zinc/49/96/21/842499621.db2.gz CIDHJRSLMQAKPV-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001270339190 842499626 /nfs/dbraw/zinc/49/96/26/842499626.db2.gz CIDHJRSLMQAKPV-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001270339190 842499635 /nfs/dbraw/zinc/49/96/35/842499635.db2.gz CIDHJRSLMQAKPV-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001270363185 842515812 /nfs/dbraw/zinc/51/58/12/842515812.db2.gz AGSGMTCNZMNTIV-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC(C)C)CC1 ZINC001270363186 842516570 /nfs/dbraw/zinc/51/65/70/842516570.db2.gz AGSGMTCNZMNTIV-QGZVFWFLSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001270599495 842707476 /nfs/dbraw/zinc/70/74/76/842707476.db2.gz HTKQOJUYNLHTEB-MAUKXSAKSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001270796634 842907415 /nfs/dbraw/zinc/90/74/15/842907415.db2.gz IAWMNOMZBVFFCE-ROUUACIJSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250050 848156470 /nfs/dbraw/zinc/15/64/70/848156470.db2.gz OPHCCXBYEXDJGM-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001034250050 848156474 /nfs/dbraw/zinc/15/64/74/848156474.db2.gz OPHCCXBYEXDJGM-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001034329591 848335957 /nfs/dbraw/zinc/33/59/57/848335957.db2.gz ICFCSGNDNPSLKW-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254690 861893611 /nfs/dbraw/zinc/89/36/11/861893611.db2.gz DQUAKZUPTAFCKF-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155254690 861893627 /nfs/dbraw/zinc/89/36/27/861893627.db2.gz DQUAKZUPTAFCKF-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155254690 861893634 /nfs/dbraw/zinc/89/36/34/861893634.db2.gz DQUAKZUPTAFCKF-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149863284 861951839 /nfs/dbraw/zinc/95/18/39/861951839.db2.gz ZSWLFNRCZBBQLZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863284 861951852 /nfs/dbraw/zinc/95/18/52/861951852.db2.gz ZSWLFNRCZBBQLZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863284 861951862 /nfs/dbraw/zinc/95/18/62/861951862.db2.gz ZSWLFNRCZBBQLZ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001148570818 850804857 /nfs/dbraw/zinc/80/48/57/850804857.db2.gz NCTSQSVQALWAOS-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP Cn1cncc1CN1CC[C@]2(CC[N@@H+](CCCCC#N)C2)C1=O ZINC001274042429 851883212 /nfs/dbraw/zinc/88/32/12/851883212.db2.gz GNUOOWIZPDVKLO-KRWDZBQOSA-N 2 1 315.421 1.538 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001274655801 852489917 /nfs/dbraw/zinc/48/99/17/852489917.db2.gz SRKZTXAATFIHGN-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001274655801 852489924 /nfs/dbraw/zinc/48/99/24/852489924.db2.gz SRKZTXAATFIHGN-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC001274731666 852562389 /nfs/dbraw/zinc/56/23/89/852562389.db2.gz AVHDXLFAKJKLIT-BBWFWOEESA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC001274731666 852562391 /nfs/dbraw/zinc/56/23/91/852562391.db2.gz AVHDXLFAKJKLIT-BBWFWOEESA-N 2 1 321.465 1.138 20 30 DDEDMP C=C(C)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCOCC1 ZINC001327671340 862371237 /nfs/dbraw/zinc/37/12/37/862371237.db2.gz LWDCQTMICHOEIO-UHFFFAOYSA-N 2 1 306.410 1.023 20 30 DDEDMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001275080409 852790425 /nfs/dbraw/zinc/79/04/25/852790425.db2.gz GAKOEWGKPAQUTJ-IEBWSBKVSA-N 2 1 313.445 1.722 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001275150157 852841714 /nfs/dbraw/zinc/84/17/14/852841714.db2.gz BVLMKJQZFXGCOD-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150778725 862464335 /nfs/dbraw/zinc/46/43/35/862464335.db2.gz NQIUTSQZRSVJFS-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001276009837 854150874 /nfs/dbraw/zinc/15/08/74/854150874.db2.gz APDLKMJMVGERDO-OAHLLOKOSA-N 2 1 301.434 1.822 20 30 DDEDMP C#Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c1 ZINC001276097580 854757546 /nfs/dbraw/zinc/75/75/46/854757546.db2.gz XFFWHXMXVBLQAB-MOPGFXCFSA-N 2 1 313.445 1.115 20 30 DDEDMP C=C(Br)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001276173845 854882284 /nfs/dbraw/zinc/88/22/84/854882284.db2.gz LDKUWMKFEMITOU-GFCCVEGCSA-N 2 1 318.259 1.427 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001072981837 857965362 /nfs/dbraw/zinc/96/53/62/857965362.db2.gz SYXHNTXRMFUKAP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001072981837 857965366 /nfs/dbraw/zinc/96/53/66/857965366.db2.gz SYXHNTXRMFUKAP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001072981837 857965371 /nfs/dbraw/zinc/96/53/71/857965371.db2.gz SYXHNTXRMFUKAP-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599539 858473997 /nfs/dbraw/zinc/47/39/97/858473997.db2.gz HEEJBSGREYAKOF-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599539 858474002 /nfs/dbraw/zinc/47/40/02/858474002.db2.gz HEEJBSGREYAKOF-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001073599539 858474007 /nfs/dbraw/zinc/47/40/07/858474007.db2.gz HEEJBSGREYAKOF-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC001156428224 863035940 /nfs/dbraw/zinc/03/59/40/863035940.db2.gz CMDPKQPGJPPFEQ-CQSZACIVSA-N 2 1 302.422 1.611 20 30 DDEDMP N#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001122151091 858698270 /nfs/dbraw/zinc/69/82/70/858698270.db2.gz DBDSWYRRSBCYRF-IYBDPMFKSA-N 2 1 304.438 1.498 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001123944545 859487971 /nfs/dbraw/zinc/48/79/71/859487971.db2.gz ZIBNHUIMSFQWCT-RDJZCZTQSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001328631731 863119123 /nfs/dbraw/zinc/11/91/23/863119123.db2.gz ABQARVPFVYZDCJ-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001328763197 863201693 /nfs/dbraw/zinc/20/16/93/863201693.db2.gz BYJLPJMMJJCALS-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001328763197 863201710 /nfs/dbraw/zinc/20/17/10/863201710.db2.gz BYJLPJMMJJCALS-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001328915870 863334748 /nfs/dbraw/zinc/33/47/48/863334748.db2.gz QUDYDZSXOFSAQE-UHFFFAOYSA-N 2 1 313.445 1.279 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001152445842 863349742 /nfs/dbraw/zinc/34/97/42/863349742.db2.gz PAUJIXJBKHBMEP-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001157119432 863596396 /nfs/dbraw/zinc/59/63/96/863596396.db2.gz YSTRTROPGCIVBG-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001329590822 863740253 /nfs/dbraw/zinc/74/02/53/863740253.db2.gz YTKJWFQHKKWOCI-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001158329546 864581960 /nfs/dbraw/zinc/58/19/60/864581960.db2.gz QGNXRJQYPLHSJO-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001158329546 864581972 /nfs/dbraw/zinc/58/19/72/864581972.db2.gz QGNXRJQYPLHSJO-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001158329546 864581983 /nfs/dbraw/zinc/58/19/83/864581983.db2.gz QGNXRJQYPLHSJO-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH2+]CC#CCOC ZINC001158354268 864596634 /nfs/dbraw/zinc/59/66/34/864596634.db2.gz GOMBFRVBRYWHAO-HNNXBMFYSA-N 2 1 320.437 1.142 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)COCC[NH+](C)C ZINC001158750306 864879593 /nfs/dbraw/zinc/87/95/93/864879593.db2.gz KHMMCEJJFCYVMH-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001331648998 865211709 /nfs/dbraw/zinc/21/17/09/865211709.db2.gz RSKOYPFLFIPRCL-DOTOQJQBSA-N 2 1 301.434 1.749 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877698 865576714 /nfs/dbraw/zinc/57/67/14/865576714.db2.gz SDJRSIRUBNAWNR-CVEARBPZSA-N 2 1 321.469 1.264 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001160120787 865684716 /nfs/dbraw/zinc/68/47/16/865684716.db2.gz RHRNQRVXLVTUMR-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120787 865684720 /nfs/dbraw/zinc/68/47/20/865684720.db2.gz RHRNQRVXLVTUMR-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001160120787 865684723 /nfs/dbraw/zinc/68/47/23/865684723.db2.gz RHRNQRVXLVTUMR-QGZVFWFLSA-N 2 1 303.450 1.631 20 30 DDEDMP N#Cc1ccc(CC2CCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)cc1 ZINC001160566472 865946685 /nfs/dbraw/zinc/94/66/85/865946685.db2.gz QQRQZFGVOZNHEQ-INIZCTEOSA-N 2 1 300.406 1.015 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNc1nccc(N2CCC([NH3+])CC2)n1 ZINC001160953962 866217782 /nfs/dbraw/zinc/21/77/82/866217782.db2.gz MTBMLJWEKXTPLU-HNNXBMFYSA-N 2 1 316.453 1.466 20 30 DDEDMP C=CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001319769110 866280153 /nfs/dbraw/zinc/28/01/53/866280153.db2.gz JTUZFOMSXHIYRD-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001320414093 866717413 /nfs/dbraw/zinc/71/74/13/866717413.db2.gz ABLYMMDEINQZAP-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC001320644028 866912040 /nfs/dbraw/zinc/91/20/40/866912040.db2.gz JGEAAHOACYXKOO-ZDUSSCGKSA-N 2 1 322.478 1.944 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001324065815 867046637 /nfs/dbraw/zinc/04/66/37/867046637.db2.gz BAUBVEJGMBPOTC-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1 ZINC001320999225 867191792 /nfs/dbraw/zinc/19/17/92/867191792.db2.gz SVCKNSABVSMYSK-KYVUIXNKSA-N 2 1 312.417 1.414 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC#CCOC ZINC001324545949 867343729 /nfs/dbraw/zinc/34/37/29/867343729.db2.gz WPBGVVNQAINEMY-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC ZINC001324545949 867343739 /nfs/dbraw/zinc/34/37/39/867343739.db2.gz WPBGVVNQAINEMY-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC#CCOC ZINC001324545949 867343752 /nfs/dbraw/zinc/34/37/52/867343752.db2.gz WPBGVVNQAINEMY-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001321391557 867557234 /nfs/dbraw/zinc/55/72/34/867557234.db2.gz GLWQRAMXXXTWBS-YATRRXNKSA-N 2 1 312.417 1.272 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001162627821 867688095 /nfs/dbraw/zinc/68/80/95/867688095.db2.gz KYDJFUWRKOSYHM-UHFFFAOYSA-N 2 1 310.401 1.339 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCOCC1 ZINC001325029785 867708331 /nfs/dbraw/zinc/70/83/31/867708331.db2.gz XZCLXSZAGFQRGF-MRXNPFEDSA-N 2 1 323.481 1.690 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC=C)CC1 ZINC001325656661 868221329 /nfs/dbraw/zinc/22/13/29/868221329.db2.gz UBZLDXBHEOUKFW-BZSNNMDCSA-N 2 1 317.477 1.782 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CC=C)CC1 ZINC001325656661 868221350 /nfs/dbraw/zinc/22/13/50/868221350.db2.gz UBZLDXBHEOUKFW-BZSNNMDCSA-N 2 1 317.477 1.782 20 30 DDEDMP N#Cc1c2c(cnc1N1CCC(F)(F)[C@H]([NH3+])C1)C[NH2+]CCC2 ZINC001164317247 869120541 /nfs/dbraw/zinc/12/05/41/869120541.db2.gz PYNLKJXLJWWTAN-CYBMUJFWSA-N 2 1 307.348 1.162 20 30 DDEDMP CCO[C@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C[NH+](C)C ZINC001337871782 869664378 /nfs/dbraw/zinc/66/43/78/869664378.db2.gz JHHRNSYURCSIEF-MRXNPFEDSA-N 2 1 318.421 1.443 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C12CCC2 ZINC001203793723 870762163 /nfs/dbraw/zinc/76/21/63/870762163.db2.gz SVYOUDJWIUNXEX-HZPDHXFCSA-N 2 1 323.481 1.546 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001317555904 871070231 /nfs/dbraw/zinc/07/02/31/871070231.db2.gz YVWJLQORQFTYCQ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+](CCC)C1)C1CC1 ZINC001317555904 871070249 /nfs/dbraw/zinc/07/02/49/871070249.db2.gz YVWJLQORQFTYCQ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+](CCC)C1)C1CC1 ZINC001317555904 871070265 /nfs/dbraw/zinc/07/02/65/871070265.db2.gz YVWJLQORQFTYCQ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCOc3ccccc32)CC1 ZINC001340855213 871390240 /nfs/dbraw/zinc/39/02/40/871390240.db2.gz UXRHNPSHHDWEQV-KRWDZBQOSA-N 2 1 315.417 1.476 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420399 871545279 /nfs/dbraw/zinc/54/52/79/871545279.db2.gz RZMQVKCVVOVROH-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCOc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1OC ZINC001205672288 871686620 /nfs/dbraw/zinc/68/66/20/871686620.db2.gz HVMBFEBABNZLNC-SFHVURJKSA-N 2 1 318.417 1.383 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1OC ZINC001205672288 871686624 /nfs/dbraw/zinc/68/66/24/871686624.db2.gz HVMBFEBABNZLNC-SFHVURJKSA-N 2 1 318.417 1.383 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001205703520 871719063 /nfs/dbraw/zinc/71/90/63/871719063.db2.gz FYGUIVRPPHRAFP-UHFFFAOYSA-N 2 1 304.438 1.986 20 30 DDEDMP CC[N@@H+](CCNC(=O)NCC#CC[NH+](C)C)CCC(F)(F)F ZINC001312489103 871750552 /nfs/dbraw/zinc/75/05/52/871750552.db2.gz JKTXGQSPLZCUTQ-UHFFFAOYSA-N 2 1 322.375 1.125 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC001341673078 871766790 /nfs/dbraw/zinc/76/67/90/871766790.db2.gz VYIRLVNMIFEHJE-HNNXBMFYSA-N 2 1 313.405 1.876 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001318445804 872056094 /nfs/dbraw/zinc/05/60/94/872056094.db2.gz QAEMURJGLLNUHV-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001318445804 872056109 /nfs/dbraw/zinc/05/61/09/872056109.db2.gz QAEMURJGLLNUHV-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001318445804 872056129 /nfs/dbraw/zinc/05/61/29/872056129.db2.gz QAEMURJGLLNUHV-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001318445804 872056159 /nfs/dbraw/zinc/05/61/59/872056159.db2.gz QAEMURJGLLNUHV-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP Cn1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1C#N ZINC001207106807 873026446 /nfs/dbraw/zinc/02/64/46/873026446.db2.gz WDGMMCQOECXEOP-UHFFFAOYSA-N 2 1 301.438 1.109 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210144909 875244487 /nfs/dbraw/zinc/24/44/87/875244487.db2.gz BAZYRFLRIMOEOW-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210146669 875245552 /nfs/dbraw/zinc/24/55/52/875245552.db2.gz VIGYYIAJOBZMBO-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210146298 875246223 /nfs/dbraw/zinc/24/62/23/875246223.db2.gz PCJGSCBWYOIDTJ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210243570 875285409 /nfs/dbraw/zinc/28/54/09/875285409.db2.gz NKXAVHJUTCSVKK-KBAYOESNSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243570 875285421 /nfs/dbraw/zinc/28/54/21/875285421.db2.gz NKXAVHJUTCSVKK-KBAYOESNSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001210243570 875285434 /nfs/dbraw/zinc/28/54/34/875285434.db2.gz NKXAVHJUTCSVKK-KBAYOESNSA-N 2 1 313.445 1.749 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094720 875657399 /nfs/dbraw/zinc/65/73/99/875657399.db2.gz NHKFJMDVNGAPRH-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001381928044 882974315 /nfs/dbraw/zinc/97/43/15/882974315.db2.gz JYUSDSSVHNHGAZ-SOUVJXGZSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@H](OC)C1 ZINC001213596789 875991246 /nfs/dbraw/zinc/99/12/46/875991246.db2.gz KVQNLEQTINUIKG-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@H](OC)C1 ZINC001213719286 876030353 /nfs/dbraw/zinc/03/03/53/876030353.db2.gz VPFMAZPRPIFQIH-FVQBIDKESA-N 2 1 320.437 1.133 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214610982 876416573 /nfs/dbraw/zinc/41/65/73/876416573.db2.gz JMYVOJBOZCFGEZ-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214890371 876495182 /nfs/dbraw/zinc/49/51/82/876495182.db2.gz WVKUTUISHTUTJO-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155807 876590398 /nfs/dbraw/zinc/59/03/98/876590398.db2.gz KZBNVZOQXRUBCS-IIAWOOMASA-N 2 1 304.438 1.983 20 30 DDEDMP N#Cc1ccc(-c2ccccc2NC(=O)C[NH2+]CCC[NH3+])nc1 ZINC001219423107 878198204 /nfs/dbraw/zinc/19/82/04/878198204.db2.gz WIEPTCVKCZVQMN-UHFFFAOYSA-N 2 1 309.373 1.497 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001220868117 879330944 /nfs/dbraw/zinc/33/09/44/879330944.db2.gz BQYGKZJQJJPVDT-JKSUJKDBSA-N 2 1 302.422 1.025 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001220868117 879330967 /nfs/dbraw/zinc/33/09/67/879330967.db2.gz BQYGKZJQJJPVDT-JKSUJKDBSA-N 2 1 302.422 1.025 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([C@H]([NH3+])CN)cc1 ZINC001220868117 879330986 /nfs/dbraw/zinc/33/09/86/879330986.db2.gz BQYGKZJQJJPVDT-JKSUJKDBSA-N 2 1 302.422 1.025 20 30 DDEDMP C[N@H+]1CCC[C@](C)(NC(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001221241409 879607463 /nfs/dbraw/zinc/60/74/63/879607463.db2.gz UYFQOBSPOZYGJS-RDJZCZTQSA-N 2 1 300.406 1.029 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813247 880104595 /nfs/dbraw/zinc/10/45/95/880104595.db2.gz CLKPKJPFSZXPEW-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813247 880104610 /nfs/dbraw/zinc/10/46/10/880104610.db2.gz CLKPKJPFSZXPEW-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813247 880104626 /nfs/dbraw/zinc/10/46/26/880104626.db2.gz CLKPKJPFSZXPEW-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001222016355 880184098 /nfs/dbraw/zinc/18/40/98/880184098.db2.gz DQJJFUXVQGMYGD-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001223508074 880985914 /nfs/dbraw/zinc/98/59/14/880985914.db2.gz ZIOSOBJDGFUIGW-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001277352799 883797166 /nfs/dbraw/zinc/79/71/66/883797166.db2.gz YOXTUKNKXYOADG-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001230359472 884444746 /nfs/dbraw/zinc/44/47/46/884444746.db2.gz BFQKKFFKFPOYDM-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001277946394 888651457 /nfs/dbraw/zinc/65/14/57/888651457.db2.gz UWCRLXZXNMBTST-JQHSSLGASA-N 2 1 313.445 1.402 20 30 DDEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001366000624 892177130 /nfs/dbraw/zinc/17/71/30/892177130.db2.gz VEFTYWRRXBPCAI-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)s2)C1 ZINC001366000624 892177133 /nfs/dbraw/zinc/17/71/33/892177133.db2.gz VEFTYWRRXBPCAI-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001366000624 892177140 /nfs/dbraw/zinc/17/71/40/892177140.db2.gz VEFTYWRRXBPCAI-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001366000624 892177144 /nfs/dbraw/zinc/17/71/44/892177144.db2.gz VEFTYWRRXBPCAI-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001366345815 893247327 /nfs/dbraw/zinc/24/73/27/893247327.db2.gz MCRCZZSSSUYSRA-VXGBXAGGSA-N 2 1 318.259 1.331 20 30 DDEDMP COCC#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278526296 894080188 /nfs/dbraw/zinc/08/01/88/894080188.db2.gz HUVKCTXEOAJOEP-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001278526296 894080205 /nfs/dbraw/zinc/08/02/05/894080205.db2.gz HUVKCTXEOAJOEP-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001278664148 895119831 /nfs/dbraw/zinc/11/98/31/895119831.db2.gz VANNFMFJPHCYOH-WMZOPIPTSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001278800658 896544026 /nfs/dbraw/zinc/54/40/26/896544026.db2.gz PDHPQASLPRYHMW-SJLPKXTDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001278800658 896544039 /nfs/dbraw/zinc/54/40/39/896544039.db2.gz PDHPQASLPRYHMW-SJLPKXTDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001278800658 896544049 /nfs/dbraw/zinc/54/40/49/896544049.db2.gz PDHPQASLPRYHMW-SJLPKXTDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001278910762 897281896 /nfs/dbraw/zinc/28/18/96/897281896.db2.gz LKLUJNDMMMLKEZ-MRXNPFEDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001278910762 897281912 /nfs/dbraw/zinc/28/19/12/897281912.db2.gz LKLUJNDMMMLKEZ-MRXNPFEDSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001279012467 897834425 /nfs/dbraw/zinc/83/44/25/897834425.db2.gz NSJJJFKJTNBWRD-ZIAGYGMSSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001261296454 899453922 /nfs/dbraw/zinc/45/39/22/899453922.db2.gz AIFJDHAZKAUMKB-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001265654136 902260469 /nfs/dbraw/zinc/26/04/69/902260469.db2.gz NZVOYVNLCYVLGV-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001265654136 902260476 /nfs/dbraw/zinc/26/04/76/902260476.db2.gz NZVOYVNLCYVLGV-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001265654136 902260491 /nfs/dbraw/zinc/26/04/91/902260491.db2.gz NZVOYVNLCYVLGV-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001392615205 904619139 /nfs/dbraw/zinc/61/91/39/904619139.db2.gz SAUHENLAADACJB-GXTWGEPZSA-N 2 1 318.396 1.243 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001392615205 904619150 /nfs/dbraw/zinc/61/91/50/904619150.db2.gz SAUHENLAADACJB-GXTWGEPZSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001281839857 905257399 /nfs/dbraw/zinc/25/73/99/905257399.db2.gz FQGAESMNAYIVAM-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001283533047 907552956 /nfs/dbraw/zinc/55/29/56/907552956.db2.gz RVDYJBGFGBYFBM-DOTOQJQBSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001283556752 907597438 /nfs/dbraw/zinc/59/74/38/907597438.db2.gz LPOKXMRAASZJCY-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001283556752 907597446 /nfs/dbraw/zinc/59/74/46/907597446.db2.gz LPOKXMRAASZJCY-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCc3nccn3C)CCC[C@@H]12 ZINC001284055767 908405236 /nfs/dbraw/zinc/40/52/36/908405236.db2.gz CAVXDCAGXMKWFR-PBHICJAKSA-N 2 1 300.406 1.099 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001284154386 908559435 /nfs/dbraw/zinc/55/94/35/908559435.db2.gz OFUAYGPCIBXFEY-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC001284154386 908559447 /nfs/dbraw/zinc/55/94/47/908559447.db2.gz OFUAYGPCIBXFEY-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001373289101 909422390 /nfs/dbraw/zinc/42/23/90/909422390.db2.gz CHGHURHTOHCLPP-DZGCQCFKSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001373289101 909422407 /nfs/dbraw/zinc/42/24/07/909422407.db2.gz CHGHURHTOHCLPP-DZGCQCFKSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001373289101 909422421 /nfs/dbraw/zinc/42/24/21/909422421.db2.gz CHGHURHTOHCLPP-DZGCQCFKSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(C)C[N@H+](CC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000052890435 352630584 /nfs/dbraw/zinc/63/05/84/352630584.db2.gz PKLFTATUGNUBOW-MRXNPFEDSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000052890435 352630587 /nfs/dbraw/zinc/63/05/87/352630587.db2.gz PKLFTATUGNUBOW-MRXNPFEDSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000052890435 352630589 /nfs/dbraw/zinc/63/05/89/352630589.db2.gz PKLFTATUGNUBOW-MRXNPFEDSA-N 2 1 311.470 1.357 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCc1ccccc1 ZINC000083065390 353705842 /nfs/dbraw/zinc/70/58/42/353705842.db2.gz XCHQEYYSXFAWLM-MRXNPFEDSA-N 2 1 304.438 1.592 20 30 DDEDMP Cc1cc(F)ccc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000087001398 353746024 /nfs/dbraw/zinc/74/60/24/353746024.db2.gz DYYJZQNACSVIPE-UHFFFAOYSA-N 2 1 322.428 1.303 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000320909526 354530270 /nfs/dbraw/zinc/53/02/70/354530270.db2.gz UWXRAMSMCOIKFB-NJAFHUGGSA-N 2 1 315.417 1.514 20 30 DDEDMP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](C#N)CCC#N)ccn1 ZINC000579703343 354722368 /nfs/dbraw/zinc/72/23/68/354722368.db2.gz IVSAOKHNLPWSAL-OAHLLOKOSA-N 2 1 301.394 1.555 20 30 DDEDMP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](Cc2ccccc2)C1 ZINC000593916355 356059086 /nfs/dbraw/zinc/05/90/86/356059086.db2.gz IWMUIHYRYLZFLO-SJORKVTESA-N 2 1 314.433 1.393 20 30 DDEDMP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](Cc2ccccc2)C1 ZINC000593916355 356059090 /nfs/dbraw/zinc/05/90/90/356059090.db2.gz IWMUIHYRYLZFLO-SJORKVTESA-N 2 1 314.433 1.393 20 30 DDEDMP COC(=O)c1ccc(NCC[N@H+](C)CCC[NH+](C)C)c(C#N)n1 ZINC000596425877 356875238 /nfs/dbraw/zinc/87/52/38/356875238.db2.gz XWRWKYJCNHYAIS-UHFFFAOYSA-N 2 1 319.409 1.035 20 30 DDEDMP COC(=O)c1ccc(NCC[N@@H+](C)CCC[NH+](C)C)c(C#N)n1 ZINC000596425877 356875244 /nfs/dbraw/zinc/87/52/44/356875244.db2.gz XWRWKYJCNHYAIS-UHFFFAOYSA-N 2 1 319.409 1.035 20 30 DDEDMP CCN1CCC([N@@H+]2CCCN(c3ccc(C#N)nn3)CC2)CC1 ZINC000596277666 356842236 /nfs/dbraw/zinc/84/22/36/356842236.db2.gz KUXNKPBSQODFFD-UHFFFAOYSA-N 2 1 314.437 1.345 20 30 DDEDMP CCN1CCC([N@H+]2CCCN(c3ccc(C#N)nn3)CC2)CC1 ZINC000596277666 356842239 /nfs/dbraw/zinc/84/22/39/356842239.db2.gz KUXNKPBSQODFFD-UHFFFAOYSA-N 2 1 314.437 1.345 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878981 359262655 /nfs/dbraw/zinc/26/26/55/359262655.db2.gz XJICCEQONKLMAH-CQSZACIVSA-N 2 1 304.438 1.355 20 30 DDEDMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000609133497 360263851 /nfs/dbraw/zinc/26/38/51/360263851.db2.gz NRWVYIQYFZIYBN-GOSISDBHSA-N 2 1 320.481 1.847 20 30 DDEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000609133497 360263854 /nfs/dbraw/zinc/26/38/54/360263854.db2.gz NRWVYIQYFZIYBN-GOSISDBHSA-N 2 1 320.481 1.847 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CCOC)CC2)CC1 ZINC000106341175 194198131 /nfs/dbraw/zinc/19/81/31/194198131.db2.gz AGBNUNOMJRGITM-UHFFFAOYSA-N 2 1 324.469 1.001 20 30 DDEDMP Cc1[nH+]ccn1CCCON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000271205681 407573363 /nfs/dbraw/zinc/57/33/63/407573363.db2.gz KEJRVKVRHRDIND-UHFFFAOYSA-N 2 1 315.421 1.980 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000187012263 407812700 /nfs/dbraw/zinc/81/27/00/407812700.db2.gz ZHPGEJDQRCORGO-PMPSAXMXSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000187012263 407812702 /nfs/dbraw/zinc/81/27/02/407812702.db2.gz ZHPGEJDQRCORGO-PMPSAXMXSA-N 2 1 311.470 1.404 20 30 DDEDMP COCc1ccccc1NC(=[NH2+])NCCN1CCC[N@@H+](C)CC1 ZINC000122050625 408248104 /nfs/dbraw/zinc/24/81/04/408248104.db2.gz ZUXYAUKDQLDASE-UHFFFAOYSA-N 2 1 319.453 1.197 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162458971 408705585 /nfs/dbraw/zinc/70/55/85/408705585.db2.gz UKPVMCPDMQCKOM-QAPCUYQASA-N 2 1 318.465 1.980 20 30 DDEDMP N#Cc1ccc2ncc(C[NH2+]CCC[NH+]3CCC(O)CC3)n2c1 ZINC000304275158 409589627 /nfs/dbraw/zinc/58/96/27/409589627.db2.gz XQKQSNIFARZCGJ-UHFFFAOYSA-N 2 1 313.405 1.142 20 30 DDEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000358871536 410536172 /nfs/dbraw/zinc/53/61/72/410536172.db2.gz KLKFWMZXKMXYKR-IYBDPMFKSA-N 2 1 309.454 1.880 20 30 DDEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000358871536 410536179 /nfs/dbraw/zinc/53/61/79/410536179.db2.gz KLKFWMZXKMXYKR-IYBDPMFKSA-N 2 1 309.454 1.880 20 30 DDEDMP C=CCN1CC[C@H]([NH+]2CCC(Cc3[nH+]ccn3C)CC2)C1=O ZINC000374111473 418489136 /nfs/dbraw/zinc/48/91/36/418489136.db2.gz BYHNIKULKCRXDB-HNNXBMFYSA-N 2 1 302.422 1.462 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261995328 222267631 /nfs/dbraw/zinc/26/76/31/222267631.db2.gz SGDKKXIYDXSCRO-CABCVRRESA-N 2 1 317.437 1.062 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(c2cccs2)CC1 ZINC000261856303 222260203 /nfs/dbraw/zinc/26/02/03/222260203.db2.gz YRMCTWXZBKSIKH-AWEZNQCLSA-N 2 1 321.494 1.397 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000262513073 222284958 /nfs/dbraw/zinc/28/49/58/222284958.db2.gz DVZFWNPZOZBPRQ-TUVASFSCSA-N 2 1 308.470 1.579 20 30 DDEDMP Cc1nc(C[NH+]2CCC(C[NH+]=C(N(C)C)N(C)C)CC2)oc1C ZINC000262536798 222285572 /nfs/dbraw/zinc/28/55/72/222285572.db2.gz PVTOHVIQFOAQHH-UHFFFAOYSA-N 2 1 321.469 1.983 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)ccc1OC ZINC000264079352 222314725 /nfs/dbraw/zinc/31/47/25/222314725.db2.gz IFCYSUXPPPUFFB-CQSZACIVSA-N 2 1 320.437 1.592 20 30 DDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2ccc(OC)cc2)C1 ZINC000264116446 222321049 /nfs/dbraw/zinc/32/10/49/222321049.db2.gz STAYDSZJGJTBEH-INIZCTEOSA-N 2 1 318.465 1.874 20 30 DDEDMP C=CCN1CC[C@H]([NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)C1=O ZINC000375613166 418662350 /nfs/dbraw/zinc/66/23/50/418662350.db2.gz QBTQOXVMIRNUFL-RDJZCZTQSA-N 2 1 317.477 1.970 20 30 DDEDMP CN(C)C(=[NH+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000363483531 418766452 /nfs/dbraw/zinc/76/64/52/418766452.db2.gz IUCSOINFADGINF-KRWDZBQOSA-N 2 1 317.481 1.454 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000365180243 418841678 /nfs/dbraw/zinc/84/16/78/418841678.db2.gz DHSJVMTYDIQNEB-IAGOWNOFSA-N 2 1 320.481 1.953 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000424142955 228235420 /nfs/dbraw/zinc/23/54/20/228235420.db2.gz JCUPNOCUPGNEBC-DLBZAZTESA-N 2 1 314.433 1.788 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000491219150 421195363 /nfs/dbraw/zinc/19/53/63/421195363.db2.gz CPTDTHONXWNBPJ-MRXNPFEDSA-N 2 1 317.477 1.664 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C#N)C(C)C)CC2)CC1 ZINC000573107300 421922512 /nfs/dbraw/zinc/92/25/12/421922512.db2.gz SVXGAVUTRNZWBE-KRWDZBQOSA-N 2 1 320.481 1.847 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000530230790 268297618 /nfs/dbraw/zinc/29/76/18/268297618.db2.gz JRBZEKMYDAOYFI-KRWDZBQOSA-N 2 1 315.417 1.514 20 30 DDEDMP C[C@@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000375359648 337009133 /nfs/dbraw/zinc/00/91/33/337009133.db2.gz DYUXPPUABUICOC-QZTJIDSGSA-N 2 1 308.466 1.464 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000341601365 526438048 /nfs/dbraw/zinc/43/80/48/526438048.db2.gz BSJPBBZFRBYSDM-CZUORRHYSA-N 2 1 306.454 1.419 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000341601357 526439577 /nfs/dbraw/zinc/43/95/77/526439577.db2.gz BSJPBBZFRBYSDM-BBRMVZONSA-N 2 1 306.454 1.419 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000491071100 526826486 /nfs/dbraw/zinc/82/64/86/526826486.db2.gz ICFAOBYCSCZPQS-HNNXBMFYSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000491071100 526826490 /nfs/dbraw/zinc/82/64/90/526826490.db2.gz ICFAOBYCSCZPQS-HNNXBMFYSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000491119100 526987412 /nfs/dbraw/zinc/98/74/12/526987412.db2.gz HCKFWKBXYHNJBX-AEFFLSMTSA-N 2 1 313.445 1.626 20 30 DDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)CC1 ZINC000343541918 529152723 /nfs/dbraw/zinc/15/27/23/529152723.db2.gz VLNLTLBEBHVZPK-IBGZPJMESA-N 2 1 312.461 1.964 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972533661 695274628 /nfs/dbraw/zinc/27/46/28/695274628.db2.gz GFYDTJWKUUYGGE-SFHVURJKSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972533661 695274629 /nfs/dbraw/zinc/27/46/29/695274629.db2.gz GFYDTJWKUUYGGE-SFHVURJKSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974755408 695727677 /nfs/dbraw/zinc/72/76/77/695727677.db2.gz AKMWMWCJSVPROG-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974755408 695727679 /nfs/dbraw/zinc/72/76/79/695727679.db2.gz AKMWMWCJSVPROG-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974755408 695727680 /nfs/dbraw/zinc/72/76/80/695727680.db2.gz AKMWMWCJSVPROG-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974755408 695727681 /nfs/dbraw/zinc/72/76/81/695727681.db2.gz AKMWMWCJSVPROG-IAGOWNOFSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972912 695770697 /nfs/dbraw/zinc/77/06/97/695770697.db2.gz QFKWESIWLKTDEG-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972912 695770698 /nfs/dbraw/zinc/77/06/98/695770698.db2.gz QFKWESIWLKTDEG-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972912 695770701 /nfs/dbraw/zinc/77/07/01/695770701.db2.gz QFKWESIWLKTDEG-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972912 695770702 /nfs/dbraw/zinc/77/07/02/695770702.db2.gz QFKWESIWLKTDEG-HOTGVXAUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978247490 696350392 /nfs/dbraw/zinc/35/03/92/696350392.db2.gz IQOVITUNOALOHH-XLAORIBOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978247490 696350394 /nfs/dbraw/zinc/35/03/94/696350394.db2.gz IQOVITUNOALOHH-XLAORIBOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978247490 696350399 /nfs/dbraw/zinc/35/03/99/696350399.db2.gz IQOVITUNOALOHH-XLAORIBOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978731887 696448453 /nfs/dbraw/zinc/44/84/53/696448453.db2.gz FASWOCBCPVYBJA-QSPRXWTASA-N 2 1 314.433 1.234 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC000978731887 696448456 /nfs/dbraw/zinc/44/84/56/696448456.db2.gz FASWOCBCPVYBJA-QSPRXWTASA-N 2 1 314.433 1.234 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138661 696690272 /nfs/dbraw/zinc/69/02/72/696690272.db2.gz DKBQTVIEFFOTDJ-BBWFWOEESA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138661 696690275 /nfs/dbraw/zinc/69/02/75/696690275.db2.gz DKBQTVIEFFOTDJ-BBWFWOEESA-N 2 1 316.449 1.984 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980141058 696690743 /nfs/dbraw/zinc/69/07/43/696690743.db2.gz LTJOKLAOOGFFRC-ULQDDVLXSA-N 2 1 322.412 1.798 20 30 DDEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC000981686745 696875080 /nfs/dbraw/zinc/87/50/80/696875080.db2.gz YLFOYZPCIIBIMI-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC000981686745 696875082 /nfs/dbraw/zinc/87/50/82/696875082.db2.gz YLFOYZPCIIBIMI-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686745 696875087 /nfs/dbraw/zinc/87/50/87/696875087.db2.gz YLFOYZPCIIBIMI-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC000981686745 696875091 /nfs/dbraw/zinc/87/50/91/696875091.db2.gz YLFOYZPCIIBIMI-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812632 696926821 /nfs/dbraw/zinc/92/68/21/696926821.db2.gz RIVHGZIKPGMHLC-INIZCTEOSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957843 696984951 /nfs/dbraw/zinc/98/49/51/696984951.db2.gz WTODSWRLOLXMMW-GOSISDBHSA-N 2 1 323.456 1.757 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957843 696984955 /nfs/dbraw/zinc/98/49/55/696984955.db2.gz WTODSWRLOLXMMW-GOSISDBHSA-N 2 1 323.456 1.757 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957843 696984957 /nfs/dbraw/zinc/98/49/57/696984957.db2.gz WTODSWRLOLXMMW-GOSISDBHSA-N 2 1 323.456 1.757 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957843 696984960 /nfs/dbraw/zinc/98/49/60/696984960.db2.gz WTODSWRLOLXMMW-GOSISDBHSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000981229619 697041003 /nfs/dbraw/zinc/04/10/03/697041003.db2.gz BXTQXUFFBDLMEW-LSDHHAIUSA-N 2 1 314.433 1.412 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981330699 697067307 /nfs/dbraw/zinc/06/73/07/697067307.db2.gz HDOGKIJLIBMHER-SFHVURJKSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000981330699 697067309 /nfs/dbraw/zinc/06/73/09/697067309.db2.gz HDOGKIJLIBMHER-SFHVURJKSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000981330699 697067311 /nfs/dbraw/zinc/06/73/11/697067311.db2.gz HDOGKIJLIBMHER-SFHVURJKSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000981330699 697067313 /nfs/dbraw/zinc/06/73/13/697067313.db2.gz HDOGKIJLIBMHER-SFHVURJKSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981525495 697118577 /nfs/dbraw/zinc/11/85/77/697118577.db2.gz NRAQQOGGGXRERO-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC000981525495 697118580 /nfs/dbraw/zinc/11/85/80/697118580.db2.gz NRAQQOGGGXRERO-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000981525495 697118583 /nfs/dbraw/zinc/11/85/83/697118583.db2.gz NRAQQOGGGXRERO-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000981525495 697118585 /nfs/dbraw/zinc/11/85/85/697118585.db2.gz NRAQQOGGGXRERO-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554323 697149485 /nfs/dbraw/zinc/14/94/85/697149485.db2.gz VHGNOVPWDGGICB-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554323 697149487 /nfs/dbraw/zinc/14/94/87/697149487.db2.gz VHGNOVPWDGGICB-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@]2(C)C1 ZINC000982554323 697149488 /nfs/dbraw/zinc/14/94/88/697149488.db2.gz VHGNOVPWDGGICB-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982556536 697150056 /nfs/dbraw/zinc/15/00/56/697150056.db2.gz HKAPSRLVFGWNPJ-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982556536 697150057 /nfs/dbraw/zinc/15/00/57/697150057.db2.gz HKAPSRLVFGWNPJ-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@]2(C)C1 ZINC000982556536 697150058 /nfs/dbraw/zinc/15/00/58/697150058.db2.gz HKAPSRLVFGWNPJ-YTQUADARSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982726310 697173176 /nfs/dbraw/zinc/17/31/76/697173176.db2.gz UITAASKYDVGCSZ-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982726310 697173177 /nfs/dbraw/zinc/17/31/77/697173177.db2.gz UITAASKYDVGCSZ-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982726310 697173178 /nfs/dbraw/zinc/17/31/78/697173178.db2.gz UITAASKYDVGCSZ-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP CC[NH+]=C(NCC(C)(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179072578 697433638 /nfs/dbraw/zinc/43/36/38/697433638.db2.gz ONGPMHBZOQYBAA-HNNXBMFYSA-N 2 1 310.486 1.652 20 30 DDEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000985655060 697550768 /nfs/dbraw/zinc/55/07/68/697550768.db2.gz QOGPBTDWSVWPNO-SWLSCSKDSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000985655060 697550770 /nfs/dbraw/zinc/55/07/70/697550770.db2.gz QOGPBTDWSVWPNO-SWLSCSKDSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000985655060 697550772 /nfs/dbraw/zinc/55/07/72/697550772.db2.gz QOGPBTDWSVWPNO-SWLSCSKDSA-N 2 1 313.873 1.859 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccccc2C#N)C1 ZINC000779653251 698449661 /nfs/dbraw/zinc/44/96/61/698449661.db2.gz WATHEGLXFQENKC-HNNXBMFYSA-N 2 1 302.378 1.666 20 30 DDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccccc2C#N)C1 ZINC000779653251 698449665 /nfs/dbraw/zinc/44/96/65/698449665.db2.gz WATHEGLXFQENKC-HNNXBMFYSA-N 2 1 302.378 1.666 20 30 DDEDMP C[C@@H]1CN(C(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000262502096 698472218 /nfs/dbraw/zinc/47/22/18/698472218.db2.gz YQKSHCRMHIJFAN-ZIAGYGMSSA-N 2 1 306.410 1.452 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000989192580 698553654 /nfs/dbraw/zinc/55/36/54/698553654.db2.gz FNHQQRSKOJEGGM-KGLIPLIRSA-N 2 1 302.422 1.527 20 30 DDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303892839 698610004 /nfs/dbraw/zinc/61/00/04/698610004.db2.gz RNLSGOXNOUPYCG-HNNXBMFYSA-N 2 1 309.502 1.497 20 30 DDEDMP C[C@H]1CCC[C@H](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304507726 698622052 /nfs/dbraw/zinc/62/20/52/698622052.db2.gz STYYFKACOGKPLX-JKSUJKDBSA-N 2 1 310.486 1.829 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(F)c1 ZINC000304805906 698625623 /nfs/dbraw/zinc/62/56/23/698625623.db2.gz RQJJHYZJORBMMB-HIFRSBDPSA-N 2 1 322.428 1.982 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792861 699160669 /nfs/dbraw/zinc/16/06/69/699160669.db2.gz WCRDLSCKQQWXSA-CBZIJGRNSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792861 699160670 /nfs/dbraw/zinc/16/06/70/699160670.db2.gz WCRDLSCKQQWXSA-CBZIJGRNSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@H]12 ZINC000990792861 699160671 /nfs/dbraw/zinc/16/06/71/699160671.db2.gz WCRDLSCKQQWXSA-CBZIJGRNSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868284074 702041829 /nfs/dbraw/zinc/04/18/29/702041829.db2.gz OSQKPIRNVLPJAQ-GOEBONIOSA-N 2 1 306.454 1.372 20 30 DDEDMP c1ccc(C[N@@H+]2CCC(N=NC3=[NH+]CCN3)[C@H]3CCC[C@@H]32)cc1 ZINC000841658827 702521924 /nfs/dbraw/zinc/52/19/24/702521924.db2.gz DIEVPCSXZQCLKH-WBVHZDCISA-N 2 1 311.433 1.966 20 30 DDEDMP c1ccc(C[N@H+]2CCC(N=NC3=[NH+]CCN3)[C@H]3CCC[C@@H]32)cc1 ZINC000841658827 702521932 /nfs/dbraw/zinc/52/19/32/702521932.db2.gz DIEVPCSXZQCLKH-WBVHZDCISA-N 2 1 311.433 1.966 20 30 DDEDMP C=C[C@@H](C)ONC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000848244762 703531582 /nfs/dbraw/zinc/53/15/82/703531582.db2.gz DEIVZLKDQVRNCT-CQSZACIVSA-N 2 1 309.454 1.805 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852761155 704117824 /nfs/dbraw/zinc/11/78/24/704117824.db2.gz RQYXZYJEDJPLTE-QZTJIDSGSA-N 2 1 317.433 1.634 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCO1 ZINC000852761155 704117827 /nfs/dbraw/zinc/11/78/27/704117827.db2.gz RQYXZYJEDJPLTE-QZTJIDSGSA-N 2 1 317.433 1.634 20 30 DDEDMP C[N@@H+](CCNC(=O)C#CC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000852869304 704155096 /nfs/dbraw/zinc/15/50/96/704155096.db2.gz BXYIEIXKOZLLEX-UHFFFAOYSA-N 2 1 317.408 1.377 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)ccc1F ZINC000855345977 704479871 /nfs/dbraw/zinc/47/98/71/704479871.db2.gz LSOONCWHJYFUJS-ZDUSSCGKSA-N 2 1 320.412 1.699 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)ccc1F ZINC000855345977 704479872 /nfs/dbraw/zinc/47/98/72/704479872.db2.gz LSOONCWHJYFUJS-ZDUSSCGKSA-N 2 1 320.412 1.699 20 30 DDEDMP C=CCCONC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000856034646 704510525 /nfs/dbraw/zinc/51/05/25/704510525.db2.gz JGXQMCMNELNOQV-UHFFFAOYSA-N 2 1 309.454 1.807 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214065 704824394 /nfs/dbraw/zinc/82/43/94/704824394.db2.gz LQBIWLRCRJAFRJ-OAHLLOKOSA-N 2 1 316.449 1.941 20 30 DDEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876782638 705874910 /nfs/dbraw/zinc/87/49/10/705874910.db2.gz RDIJNOVYAKEFGQ-UUWFMWQGSA-N 2 1 324.428 1.344 20 30 DDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876782638 705874913 /nfs/dbraw/zinc/87/49/13/705874913.db2.gz RDIJNOVYAKEFGQ-UUWFMWQGSA-N 2 1 324.428 1.344 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000880258522 706922855 /nfs/dbraw/zinc/92/28/55/706922855.db2.gz AHWDLZVCUOBMDB-GDBMZVCRSA-N 2 1 300.406 1.379 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000880258522 706922856 /nfs/dbraw/zinc/92/28/56/706922856.db2.gz AHWDLZVCUOBMDB-GDBMZVCRSA-N 2 1 300.406 1.379 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCC)CC2)C1 ZINC000884024661 708107032 /nfs/dbraw/zinc/10/70/32/708107032.db2.gz YIHLVXGPCOAAEC-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCC)CC2)C1 ZINC000884024661 708107033 /nfs/dbraw/zinc/10/70/33/708107033.db2.gz YIHLVXGPCOAAEC-MRXNPFEDSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000884153948 708163188 /nfs/dbraw/zinc/16/31/88/708163188.db2.gz VWOBBRMXWXNUOE-JKSUJKDBSA-N 2 1 322.497 1.750 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000884153948 708163191 /nfs/dbraw/zinc/16/31/91/708163191.db2.gz VWOBBRMXWXNUOE-JKSUJKDBSA-N 2 1 322.497 1.750 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884195398 708182549 /nfs/dbraw/zinc/18/25/49/708182549.db2.gz LNPSYCRJCPVBCX-ZCYLDUCGSA-N 2 1 315.421 1.083 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000884462150 708306402 /nfs/dbraw/zinc/30/64/02/708306402.db2.gz WLQUSSPGNVJGDC-CABCVRRESA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000884462150 708306404 /nfs/dbraw/zinc/30/64/04/708306404.db2.gz WLQUSSPGNVJGDC-CABCVRRESA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000884462150 708306407 /nfs/dbraw/zinc/30/64/07/708306407.db2.gz WLQUSSPGNVJGDC-CABCVRRESA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000884462150 708306410 /nfs/dbraw/zinc/30/64/10/708306410.db2.gz WLQUSSPGNVJGDC-CABCVRRESA-N 2 1 306.454 1.256 20 30 DDEDMP C#CCN(C(=O)CCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000886577454 708780167 /nfs/dbraw/zinc/78/01/67/708780167.db2.gz IYRSGTPYGATYMI-UHFFFAOYSA-N 2 1 321.465 1.045 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000900656529 709697845 /nfs/dbraw/zinc/69/78/45/709697845.db2.gz PPAPPXNVYGIYRD-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000890367657 709840105 /nfs/dbraw/zinc/84/01/05/709840105.db2.gz QVNYYFLHTHBQDW-IKGGRYGDSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000890367657 709840110 /nfs/dbraw/zinc/84/01/10/709840110.db2.gz QVNYYFLHTHBQDW-IKGGRYGDSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000890367657 709840111 /nfs/dbraw/zinc/84/01/11/709840111.db2.gz QVNYYFLHTHBQDW-IKGGRYGDSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000890367657 709840116 /nfs/dbraw/zinc/84/01/16/709840116.db2.gz QVNYYFLHTHBQDW-IKGGRYGDSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000890371597 709843259 /nfs/dbraw/zinc/84/32/59/709843259.db2.gz YVKSTORUPBWHSC-SJORKVTESA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000890371597 709843264 /nfs/dbraw/zinc/84/32/64/709843264.db2.gz YVKSTORUPBWHSC-SJORKVTESA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC=C)C2 ZINC000963961246 717956361 /nfs/dbraw/zinc/95/63/61/717956361.db2.gz MDKCIJAMHSDILW-HVEGKCCWSA-N 2 1 301.434 1.287 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC=C)C2 ZINC000963961246 717956365 /nfs/dbraw/zinc/95/63/65/717956365.db2.gz MDKCIJAMHSDILW-HVEGKCCWSA-N 2 1 301.434 1.287 20 30 DDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])C34CCC4)C2=O)cc1 ZINC000925651220 714907369 /nfs/dbraw/zinc/90/73/69/714907369.db2.gz YSMYKNGHPUTOMS-GVDBMIGSSA-N 2 1 324.428 1.519 20 30 DDEDMP N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)nc1 ZINC000925892476 714957355 /nfs/dbraw/zinc/95/73/55/714957355.db2.gz BNTSAFBJAQITGN-OAGGEKHMSA-N 2 1 315.421 1.112 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603162 715967156 /nfs/dbraw/zinc/96/71/56/715967156.db2.gz NQIWHDXDFPIWOQ-SJORKVTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000959893965 716340060 /nfs/dbraw/zinc/34/00/60/716340060.db2.gz NDTLBWWJHXAJKB-ZSHCYNCHSA-N 2 1 303.450 1.321 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC000958414093 716538932 /nfs/dbraw/zinc/53/89/32/716538932.db2.gz CIJUSIVFIOSUOY-XWTMOSNGSA-N 2 1 324.428 1.199 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC1 ZINC000960674948 716653293 /nfs/dbraw/zinc/65/32/93/716653293.db2.gz DZOLYENGBVWZSY-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC1 ZINC000960674948 716653294 /nfs/dbraw/zinc/65/32/94/716653294.db2.gz DZOLYENGBVWZSY-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC1 ZINC000960674948 716653296 /nfs/dbraw/zinc/65/32/96/716653296.db2.gz DZOLYENGBVWZSY-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC1CC1 ZINC000960674948 716653298 /nfs/dbraw/zinc/65/32/98/716653298.db2.gz DZOLYENGBVWZSY-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753951 716945528 /nfs/dbraw/zinc/94/55/28/716945528.db2.gz RIJASEXXBGYIIA-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753951 716945534 /nfs/dbraw/zinc/94/55/34/716945534.db2.gz RIJASEXXBGYIIA-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940753951 716945538 /nfs/dbraw/zinc/94/55/38/716945538.db2.gz RIJASEXXBGYIIA-XHSDSOJGSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831347 716980783 /nfs/dbraw/zinc/98/07/83/716980783.db2.gz KUEVPVATPKQHIC-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831347 716980788 /nfs/dbraw/zinc/98/07/88/716980788.db2.gz KUEVPVATPKQHIC-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831347 716980790 /nfs/dbraw/zinc/98/07/90/716980790.db2.gz KUEVPVATPKQHIC-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940831347 716980794 /nfs/dbraw/zinc/98/07/94/716980794.db2.gz KUEVPVATPKQHIC-OAGGEKHMSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124757 717110840 /nfs/dbraw/zinc/11/08/40/717110840.db2.gz UMODNAHNBGGOMM-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941122985 717110974 /nfs/dbraw/zinc/11/09/74/717110974.db2.gz DICOZWHSOISTGU-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000941238450 717136670 /nfs/dbraw/zinc/13/66/70/717136670.db2.gz WOYCAOOILIHYQT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941238450 717136672 /nfs/dbraw/zinc/13/66/72/717136672.db2.gz WOYCAOOILIHYQT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000941238450 717136675 /nfs/dbraw/zinc/13/66/75/717136675.db2.gz WOYCAOOILIHYQT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961762316 717198101 /nfs/dbraw/zinc/19/81/01/717198101.db2.gz GWKXFVDZRBNNIL-LDDOYCOJSA-N 2 1 321.440 1.269 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000961762316 717198103 /nfs/dbraw/zinc/19/81/03/717198103.db2.gz GWKXFVDZRBNNIL-LDDOYCOJSA-N 2 1 321.440 1.269 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961762316 717198105 /nfs/dbraw/zinc/19/81/05/717198105.db2.gz GWKXFVDZRBNNIL-LDDOYCOJSA-N 2 1 321.440 1.269 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](F)CC)C[C@H]32)CC1 ZINC000962769920 717581016 /nfs/dbraw/zinc/58/10/16/717581016.db2.gz FLSKAFDQLKIJEW-MWDXBVQZSA-N 2 1 321.440 1.126 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963336808 717748102 /nfs/dbraw/zinc/74/81/02/717748102.db2.gz HEDMBAFNZQASNN-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000963336808 717748105 /nfs/dbraw/zinc/74/81/05/717748105.db2.gz HEDMBAFNZQASNN-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581877 717760898 /nfs/dbraw/zinc/76/08/98/717760898.db2.gz OENPJOUKTMKBQW-HOCLYGCPSA-N 2 1 317.433 1.805 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518367 718815088 /nfs/dbraw/zinc/81/50/88/718815088.db2.gz ROIZTJLLYLFJJL-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946518367 718815094 /nfs/dbraw/zinc/81/50/94/718815094.db2.gz ROIZTJLLYLFJJL-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518367 718815102 /nfs/dbraw/zinc/81/51/02/718815102.db2.gz ROIZTJLLYLFJJL-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCF)[C@@H](C)C2)CC1 ZINC000948069329 719348797 /nfs/dbraw/zinc/34/87/97/719348797.db2.gz FZXHMDGGRVSSCW-DOTOQJQBSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)[C@H](C)C2)CC1 ZINC000948069746 719349356 /nfs/dbraw/zinc/34/93/56/719349356.db2.gz KAZZEOMZMPYOQD-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H](C)C2)CC1 ZINC000948070372 719349508 /nfs/dbraw/zinc/34/95/08/719349508.db2.gz ORCHRTXPGUKKSC-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC000969154158 719980023 /nfs/dbraw/zinc/98/00/23/719980023.db2.gz YWJLLXBTYZCYRW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969154158 719980024 /nfs/dbraw/zinc/98/00/24/719980024.db2.gz YWJLLXBTYZCYRW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969154158 719980025 /nfs/dbraw/zinc/98/00/25/719980025.db2.gz YWJLLXBTYZCYRW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969154158 719980026 /nfs/dbraw/zinc/98/00/26/719980026.db2.gz YWJLLXBTYZCYRW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969154158 719980027 /nfs/dbraw/zinc/98/00/27/719980027.db2.gz YWJLLXBTYZCYRW-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000949472588 720110533 /nfs/dbraw/zinc/11/05/33/720110533.db2.gz IHIGBCFMVMSIOJ-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000949472588 720110539 /nfs/dbraw/zinc/11/05/39/720110539.db2.gz IHIGBCFMVMSIOJ-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000950089983 720485712 /nfs/dbraw/zinc/48/57/12/720485712.db2.gz RUSONPSZFDBVOF-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC000950089983 720485714 /nfs/dbraw/zinc/48/57/14/720485714.db2.gz RUSONPSZFDBVOF-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420329 720754709 /nfs/dbraw/zinc/75/47/09/720754709.db2.gz ODFGXDUEIJRDSV-HIFRSBDPSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001120878744 782204173 /nfs/dbraw/zinc/20/41/73/782204173.db2.gz LCJLBUVLIDZQBJ-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001120878744 782204174 /nfs/dbraw/zinc/20/41/74/782204174.db2.gz LCJLBUVLIDZQBJ-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041740902 733240314 /nfs/dbraw/zinc/24/03/14/733240314.db2.gz FZHLMUFGJCJNFA-SFHVURJKSA-N 2 1 321.465 1.209 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001041740902 733240316 /nfs/dbraw/zinc/24/03/16/733240316.db2.gz FZHLMUFGJCJNFA-SFHVURJKSA-N 2 1 321.465 1.209 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001021605014 733361169 /nfs/dbraw/zinc/36/11/69/733361169.db2.gz ITXAVQQRSIRMRR-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605014 733361174 /nfs/dbraw/zinc/36/11/74/733361174.db2.gz ITXAVQQRSIRMRR-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001021605014 733361176 /nfs/dbraw/zinc/36/11/76/733361176.db2.gz ITXAVQQRSIRMRR-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635037 733388866 /nfs/dbraw/zinc/38/88/66/733388866.db2.gz HLMYRKBXQHBESZ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635037 733388870 /nfs/dbraw/zinc/38/88/70/733388870.db2.gz HLMYRKBXQHBESZ-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2nccn2C)C1 ZINC001021638013 733392006 /nfs/dbraw/zinc/39/20/06/733392006.db2.gz GOPUDFZOHJGASC-JKSUJKDBSA-N 2 1 314.433 1.299 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021716105 733479738 /nfs/dbraw/zinc/47/97/38/733479738.db2.gz JQALKNDSIZVNJS-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718415 733481903 /nfs/dbraw/zinc/48/19/03/733481903.db2.gz XGZLMOJJPVVHCZ-HZPDHXFCSA-N 2 1 303.450 1.581 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929074 738824280 /nfs/dbraw/zinc/82/42/80/738824280.db2.gz ATWAIBBFPUUIFK-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929074 738824285 /nfs/dbraw/zinc/82/42/85/738824285.db2.gz ATWAIBBFPUUIFK-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929074 738824288 /nfs/dbraw/zinc/82/42/88/738824288.db2.gz ATWAIBBFPUUIFK-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001098560897 734600985 /nfs/dbraw/zinc/60/09/85/734600985.db2.gz GTQXOCVBTVLLKA-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560897 734600987 /nfs/dbraw/zinc/60/09/87/734600987.db2.gz GTQXOCVBTVLLKA-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001098560897 734600991 /nfs/dbraw/zinc/60/09/91/734600991.db2.gz GTQXOCVBTVLLKA-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001022610426 734635842 /nfs/dbraw/zinc/63/58/42/734635842.db2.gz NWAHDHFIQLPFIT-MELADBBJSA-N 2 1 322.840 1.743 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023374602 735203919 /nfs/dbraw/zinc/20/39/19/735203919.db2.gz UXKFUCJVTLIRML-HNNXBMFYSA-N 2 1 319.453 1.073 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023452132 735246902 /nfs/dbraw/zinc/24/69/02/735246902.db2.gz RGLPASQWFPPDQI-HOTGVXAUSA-N 2 1 316.449 1.850 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023452093 735247503 /nfs/dbraw/zinc/24/75/03/735247503.db2.gz WXIFQWAUZSWFNQ-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023452093 735247506 /nfs/dbraw/zinc/24/75/06/735247506.db2.gz WXIFQWAUZSWFNQ-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023452093 735247508 /nfs/dbraw/zinc/24/75/08/735247508.db2.gz WXIFQWAUZSWFNQ-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452093 735247510 /nfs/dbraw/zinc/24/75/10/735247510.db2.gz WXIFQWAUZSWFNQ-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452093 735247513 /nfs/dbraw/zinc/24/75/13/735247513.db2.gz WXIFQWAUZSWFNQ-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087296556 735970406 /nfs/dbraw/zinc/97/04/06/735970406.db2.gz BGLPRCFELOQGRH-DJIMGWMZSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cn3c[nH+]cc3C)C(C)(C)[C@@H]21 ZINC001087296556 735970409 /nfs/dbraw/zinc/97/04/09/735970409.db2.gz BGLPRCFELOQGRH-DJIMGWMZSA-N 2 1 316.449 1.983 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001087317540 736080918 /nfs/dbraw/zinc/08/09/18/736080918.db2.gz KBFWDHGCKVZVJF-NXHRZFHOSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025268173 736399512 /nfs/dbraw/zinc/39/95/12/736399512.db2.gz WCQISKPSVIBJNF-QZTJIDSGSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCN1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008541859 737824027 /nfs/dbraw/zinc/82/40/27/737824027.db2.gz SDSMTZOGQFFNFI-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008541859 737824031 /nfs/dbraw/zinc/82/40/31/737824031.db2.gz SDSMTZOGQFFNFI-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008541859 737824037 /nfs/dbraw/zinc/82/40/37/737824037.db2.gz SDSMTZOGQFFNFI-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008541859 737824039 /nfs/dbraw/zinc/82/40/39/737824039.db2.gz SDSMTZOGQFFNFI-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027439862 738296866 /nfs/dbraw/zinc/29/68/66/738296866.db2.gz UJAJRVMEUAAECN-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439862 738296869 /nfs/dbraw/zinc/29/68/69/738296869.db2.gz UJAJRVMEUAAECN-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439862 738296872 /nfs/dbraw/zinc/29/68/72/738296872.db2.gz UJAJRVMEUAAECN-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001028203563 739155434 /nfs/dbraw/zinc/15/54/34/739155434.db2.gz XBGGGQRWYNEHMD-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267672 739255366 /nfs/dbraw/zinc/25/53/66/739255366.db2.gz MUJJGHHXEXFLAO-AWEZNQCLSA-N 2 1 300.406 1.365 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267672 739255367 /nfs/dbraw/zinc/25/53/67/739255367.db2.gz MUJJGHHXEXFLAO-AWEZNQCLSA-N 2 1 300.406 1.365 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001028996170 740241690 /nfs/dbraw/zinc/24/16/90/740241690.db2.gz BHMOUINROSWUNK-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001028996170 740241693 /nfs/dbraw/zinc/24/16/93/740241693.db2.gz BHMOUINROSWUNK-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996170 740241695 /nfs/dbraw/zinc/24/16/95/740241695.db2.gz BHMOUINROSWUNK-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996170 740241696 /nfs/dbraw/zinc/24/16/96/740241696.db2.gz BHMOUINROSWUNK-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001028996170 740241700 /nfs/dbraw/zinc/24/17/00/740241700.db2.gz BHMOUINROSWUNK-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087574629 740661280 /nfs/dbraw/zinc/66/12/80/740661280.db2.gz QCIKZNZWGQNMCX-IXDOHACOSA-N 2 1 305.466 1.873 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087985763 740918423 /nfs/dbraw/zinc/91/84/23/740918423.db2.gz CJYXRLNHGLJRDJ-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985763 740918426 /nfs/dbraw/zinc/91/84/26/740918426.db2.gz CJYXRLNHGLJRDJ-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985763 740918429 /nfs/dbraw/zinc/91/84/29/740918429.db2.gz CJYXRLNHGLJRDJ-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088042096 740963924 /nfs/dbraw/zinc/96/39/24/740963924.db2.gz XOSXELKXMFZDEK-ZBFHGGJFSA-N 2 1 310.401 1.914 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088170112 741083526 /nfs/dbraw/zinc/08/35/26/741083526.db2.gz FQHLCICZLWSLCU-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170112 741083529 /nfs/dbraw/zinc/08/35/29/741083529.db2.gz FQHLCICZLWSLCU-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088170112 741083531 /nfs/dbraw/zinc/08/35/31/741083531.db2.gz FQHLCICZLWSLCU-ZACQAIPSSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628580 751724832 /nfs/dbraw/zinc/72/48/32/751724832.db2.gz HVGWNELAFDDDPZ-RLFYNMQTSA-N 2 1 321.440 1.507 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076086064 742528685 /nfs/dbraw/zinc/52/86/85/742528685.db2.gz NKFSUTDRFYWCDM-KSZLIROESA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114926885 751744436 /nfs/dbraw/zinc/74/44/36/751744436.db2.gz DJPAGASQZLMKAQ-QLPKVWCKSA-N 2 1 314.433 1.466 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1C(C)C ZINC001114926885 751744438 /nfs/dbraw/zinc/74/44/38/751744438.db2.gz DJPAGASQZLMKAQ-QLPKVWCKSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001181440487 743210482 /nfs/dbraw/zinc/21/04/82/743210482.db2.gz HKOFPCXNXPCHRK-ZHALLVOQSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035722650 751812886 /nfs/dbraw/zinc/81/28/86/751812886.db2.gz YLVYWXXRUFYGOW-UHFFFAOYSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001040394673 743493125 /nfs/dbraw/zinc/49/31/25/743493125.db2.gz KKLLERCXRXJKKU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040394673 743493127 /nfs/dbraw/zinc/49/31/27/743493127.db2.gz KKLLERCXRXJKKU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001040394673 743493131 /nfs/dbraw/zinc/49/31/31/743493131.db2.gz KKLLERCXRXJKKU-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001127065624 743692599 /nfs/dbraw/zinc/69/25/99/743692599.db2.gz CFDBBHAXMJJGRY-QGZVFWFLSA-N 2 1 314.433 1.637 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(C#N)c1 ZINC001127066631 743697140 /nfs/dbraw/zinc/69/71/40/743697140.db2.gz QWQWQJHSRDBVBD-KRWDZBQOSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184810746 744105768 /nfs/dbraw/zinc/10/57/68/744105768.db2.gz REYGOPOYLPTQGX-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001185706922 744280623 /nfs/dbraw/zinc/28/06/23/744280623.db2.gz VKQJIXCYZXVTPC-GOSISDBHSA-N 2 1 315.461 1.928 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)[C@@H]2C)CC1 ZINC001089059428 744479316 /nfs/dbraw/zinc/47/93/16/744479316.db2.gz LTKUANWNRFSFTM-AEFFLSMTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H](C)F)[C@@H]2C)CC1 ZINC001089059643 744479681 /nfs/dbraw/zinc/47/96/81/744479681.db2.gz VCYHIFFKTAILLP-INMHGKMJSA-N 2 1 323.456 1.659 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001186982160 744482575 /nfs/dbraw/zinc/48/25/75/744482575.db2.gz YHGWPQPQDOMYFN-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181749 744839152 /nfs/dbraw/zinc/83/91/52/744839152.db2.gz HIIUJRLXXACUCE-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249607 745459844 /nfs/dbraw/zinc/45/98/44/745459844.db2.gz LRGLESNDNMIGFJ-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192426199 745779681 /nfs/dbraw/zinc/77/96/81/745779681.db2.gz OAVUAFHDVBWOHJ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001195908138 746734079 /nfs/dbraw/zinc/73/40/79/746734079.db2.gz VDQLWPGTGCXZMB-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001195908138 746734083 /nfs/dbraw/zinc/73/40/83/746734083.db2.gz VDQLWPGTGCXZMB-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001195908138 746734087 /nfs/dbraw/zinc/73/40/87/746734087.db2.gz VDQLWPGTGCXZMB-SJORKVTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cncc2C)CC(C)(C)C1 ZINC001089440497 746907956 /nfs/dbraw/zinc/90/79/56/746907956.db2.gz ANSILVLHPYAIMN-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440497 746907962 /nfs/dbraw/zinc/90/79/62/746907962.db2.gz ANSILVLHPYAIMN-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089440497 746907966 /nfs/dbraw/zinc/90/79/66/746907966.db2.gz ANSILVLHPYAIMN-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089483394 747058941 /nfs/dbraw/zinc/05/89/41/747058941.db2.gz GWFYTOCRPWPSFQ-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089537181 747167039 /nfs/dbraw/zinc/16/70/39/747167039.db2.gz KHPIHYULAOKBOV-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537181 747167043 /nfs/dbraw/zinc/16/70/43/747167043.db2.gz KHPIHYULAOKBOV-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089537181 747167045 /nfs/dbraw/zinc/16/70/45/747167045.db2.gz KHPIHYULAOKBOV-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689487 747659732 /nfs/dbraw/zinc/65/97/32/747659732.db2.gz FKQBFDYYNPFNTR-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1OC ZINC001198985179 747665231 /nfs/dbraw/zinc/66/52/31/747665231.db2.gz WTTFNWFPXBTFAI-HOCLYGCPSA-N 2 1 317.433 1.580 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001201044650 748407141 /nfs/dbraw/zinc/40/71/41/748407141.db2.gz ZZOVTCZEQYFXBX-KRWDZBQOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004455958 748447547 /nfs/dbraw/zinc/44/75/47/748447547.db2.gz CPZJWNCBEXYEGO-ROUUACIJSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110717803 748934650 /nfs/dbraw/zinc/93/46/50/748934650.db2.gz IUUXSWRVNTZBJQ-OAGGEKHMSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014712067 749228755 /nfs/dbraw/zinc/22/87/55/749228755.db2.gz QSUNPAWYDLSLIV-GOEBONIOSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014712067 749228760 /nfs/dbraw/zinc/22/87/60/749228760.db2.gz QSUNPAWYDLSLIV-GOEBONIOSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014712067 749228767 /nfs/dbraw/zinc/22/87/67/749228767.db2.gz QSUNPAWYDLSLIV-GOEBONIOSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033365179 749253211 /nfs/dbraw/zinc/25/32/11/749253211.db2.gz CIHLUPQTTNPPRM-HOCLYGCPSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033365179 749253215 /nfs/dbraw/zinc/25/32/15/749253215.db2.gz CIHLUPQTTNPPRM-HOCLYGCPSA-N 2 1 302.422 1.473 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995895733 749278987 /nfs/dbraw/zinc/27/89/87/749278987.db2.gz MIFXLCPNJFZUHZ-HZPDHXFCSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995927986 749292737 /nfs/dbraw/zinc/29/27/37/749292737.db2.gz ZWZBMRNNTCIBTD-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000995927986 749292741 /nfs/dbraw/zinc/29/27/41/749292741.db2.gz ZWZBMRNNTCIBTD-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039386268 761986743 /nfs/dbraw/zinc/98/67/43/761986743.db2.gz GONSLPCWDGXSQT-IKGGRYGDSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001095694838 750150521 /nfs/dbraw/zinc/15/05/21/750150521.db2.gz ALQKAKBBNSGQOT-PVAVHDDUSA-N 2 1 308.385 1.693 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001034684779 750701211 /nfs/dbraw/zinc/70/12/11/750701211.db2.gz REXAHWHPFDWQSO-ULQDDVLXSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942437 750752673 /nfs/dbraw/zinc/75/26/73/750752673.db2.gz SGGNHLFEXMMDRP-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107942437 750752675 /nfs/dbraw/zinc/75/26/75/750752675.db2.gz SGGNHLFEXMMDRP-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107942437 750752678 /nfs/dbraw/zinc/75/26/78/750752678.db2.gz SGGNHLFEXMMDRP-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997434226 750913682 /nfs/dbraw/zinc/91/36/82/750913682.db2.gz IAJQQJSZNVTUEC-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997434226 750913686 /nfs/dbraw/zinc/91/36/86/750913686.db2.gz IAJQQJSZNVTUEC-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000997727922 751239309 /nfs/dbraw/zinc/23/93/09/751239309.db2.gz CIMGQIUAMDERGY-BQFCYCMXSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035227144 751305540 /nfs/dbraw/zinc/30/55/40/751305540.db2.gz OWHVDUIMTWLRRQ-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035227144 751305544 /nfs/dbraw/zinc/30/55/44/751305544.db2.gz OWHVDUIMTWLRRQ-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001035227144 751305550 /nfs/dbraw/zinc/30/55/50/751305550.db2.gz OWHVDUIMTWLRRQ-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533491 752786325 /nfs/dbraw/zinc/78/63/25/752786325.db2.gz MDBYUFCUKKDRBJ-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533491 752786330 /nfs/dbraw/zinc/78/63/30/752786330.db2.gz MDBYUFCUKKDRBJ-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001095921203 752831786 /nfs/dbraw/zinc/83/17/86/752831786.db2.gz IXIYQECIVMFQFJ-KSWRQPAISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095921203 752831794 /nfs/dbraw/zinc/83/17/94/752831794.db2.gz IXIYQECIVMFQFJ-KSWRQPAISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095921203 752831801 /nfs/dbraw/zinc/83/18/01/752831801.db2.gz IXIYQECIVMFQFJ-KSWRQPAISA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001009626642 753287850 /nfs/dbraw/zinc/28/78/50/753287850.db2.gz JORJCTAEECKEMO-YCOJEUHLSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C/C=C/Cl)C2)CC1 ZINC001009626642 753287857 /nfs/dbraw/zinc/28/78/57/753287857.db2.gz JORJCTAEECKEMO-YCOJEUHLSA-N 2 1 323.868 1.665 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001077838790 753306374 /nfs/dbraw/zinc/30/63/74/753306374.db2.gz NOQHRWWAPKAGJB-IAGOWNOFSA-N 2 1 317.433 1.099 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212430628 753475437 /nfs/dbraw/zinc/47/54/37/753475437.db2.gz URBZNTBIYPDUBS-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212430628 753475442 /nfs/dbraw/zinc/47/54/42/753475442.db2.gz URBZNTBIYPDUBS-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212430628 753475450 /nfs/dbraw/zinc/47/54/50/753475450.db2.gz URBZNTBIYPDUBS-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803557 754117734 /nfs/dbraw/zinc/11/77/34/754117734.db2.gz FAHUWFZMWIMBOE-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001032803557 754117740 /nfs/dbraw/zinc/11/77/40/754117740.db2.gz FAHUWFZMWIMBOE-BZSNNMDCSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803809 754119759 /nfs/dbraw/zinc/11/97/59/754119759.db2.gz MHLFZSJZFCERSY-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001032803809 754119763 /nfs/dbraw/zinc/11/97/63/754119763.db2.gz MHLFZSJZFCERSY-ULQDDVLXSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079845254 755606726 /nfs/dbraw/zinc/60/67/26/755606726.db2.gz RSCWKRHULQBOKR-IXDOHACOSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079845254 755606728 /nfs/dbraw/zinc/60/67/28/755606728.db2.gz RSCWKRHULQBOKR-IXDOHACOSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079845254 755606729 /nfs/dbraw/zinc/60/67/29/755606729.db2.gz RSCWKRHULQBOKR-IXDOHACOSA-N 2 1 307.482 1.977 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188632 755755617 /nfs/dbraw/zinc/75/56/17/755755617.db2.gz NIAKUXAGWIITBQ-OIISXLGYSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188632 755755620 /nfs/dbraw/zinc/75/56/20/755755620.db2.gz NIAKUXAGWIITBQ-OIISXLGYSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001080988137 756177012 /nfs/dbraw/zinc/17/70/12/756177012.db2.gz GKBAWGGTQJWLAY-RHSMWYFYSA-N 2 1 301.434 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082271458 756708011 /nfs/dbraw/zinc/70/80/11/756708011.db2.gz BENZEVSSKBSLHU-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082271458 756708013 /nfs/dbraw/zinc/70/80/13/756708013.db2.gz BENZEVSSKBSLHU-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040369380 762509913 /nfs/dbraw/zinc/50/99/13/762509913.db2.gz OXTGXSMQHYJUOJ-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001016664456 757248157 /nfs/dbraw/zinc/24/81/57/757248157.db2.gz XUJPSYBGXPOZHG-CABCVRRESA-N 2 1 312.417 1.364 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCCC)C[C@H]21 ZINC001084417845 757540157 /nfs/dbraw/zinc/54/01/57/757540157.db2.gz IFDACDATQRBZCQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCCC)C[C@H]21 ZINC001084417845 757540160 /nfs/dbraw/zinc/54/01/60/757540160.db2.gz IFDACDATQRBZCQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC)C[C@H]21 ZINC001084417845 757540167 /nfs/dbraw/zinc/54/01/67/757540167.db2.gz IFDACDATQRBZCQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCCC)C[C@H]21 ZINC001084417845 757540171 /nfs/dbraw/zinc/54/01/71/757540171.db2.gz IFDACDATQRBZCQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476332 757616125 /nfs/dbraw/zinc/61/61/25/757616125.db2.gz SYUCROMYLPLSBW-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476332 757616128 /nfs/dbraw/zinc/61/61/28/757616128.db2.gz SYUCROMYLPLSBW-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476332 757616131 /nfs/dbraw/zinc/61/61/31/757616131.db2.gz SYUCROMYLPLSBW-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476332 757616135 /nfs/dbraw/zinc/61/61/35/757616135.db2.gz SYUCROMYLPLSBW-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001052795073 757775651 /nfs/dbraw/zinc/77/56/51/757775651.db2.gz ZOAFHQCHRHZMNA-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001018050942 758506308 /nfs/dbraw/zinc/50/63/08/758506308.db2.gz CCWFHRMMTIKZHI-BDXSIMOUSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001018050942 758506317 /nfs/dbraw/zinc/50/63/17/758506317.db2.gz CCWFHRMMTIKZHI-BDXSIMOUSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018050942 758506325 /nfs/dbraw/zinc/50/63/25/758506325.db2.gz CCWFHRMMTIKZHI-BDXSIMOUSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001018050942 758506333 /nfs/dbraw/zinc/50/63/33/758506333.db2.gz CCWFHRMMTIKZHI-BDXSIMOUSA-N 2 1 315.461 1.702 20 30 DDEDMP C=CCCN1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822090 758850645 /nfs/dbraw/zinc/85/06/45/758850645.db2.gz GALBCIICKDKVGU-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822090 758850662 /nfs/dbraw/zinc/85/06/62/758850662.db2.gz GALBCIICKDKVGU-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085225269 759169393 /nfs/dbraw/zinc/16/93/93/759169393.db2.gz OXZZRTJGYAEYNG-RBSFLKMASA-N 2 1 302.422 1.964 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197639 759283775 /nfs/dbraw/zinc/28/37/75/759283775.db2.gz GFQSKBPWWFCZSO-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197639 759283780 /nfs/dbraw/zinc/28/37/80/759283780.db2.gz GFQSKBPWWFCZSO-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054197639 759283785 /nfs/dbraw/zinc/28/37/85/759283785.db2.gz GFQSKBPWWFCZSO-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760469 767899380 /nfs/dbraw/zinc/89/93/80/767899380.db2.gz HKFLXUFENDAMRM-LJQANCHMSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639480 759911941 /nfs/dbraw/zinc/91/19/41/759911941.db2.gz PPQGIGDWZBPUFO-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001085639480 759911947 /nfs/dbraw/zinc/91/19/47/759911947.db2.gz PPQGIGDWZBPUFO-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639480 759911953 /nfs/dbraw/zinc/91/19/53/759911953.db2.gz PPQGIGDWZBPUFO-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639480 759911955 /nfs/dbraw/zinc/91/19/55/759911955.db2.gz PPQGIGDWZBPUFO-IAGOWNOFSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098391433 760036633 /nfs/dbraw/zinc/03/66/33/760036633.db2.gz CVXBILUOTODABN-UHFFFAOYSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001098391433 760036644 /nfs/dbraw/zinc/03/66/44/760036644.db2.gz CVXBILUOTODABN-UHFFFAOYSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001108213389 760385363 /nfs/dbraw/zinc/38/53/63/760385363.db2.gz NXZJCSQBCXPUNU-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001108213389 760385370 /nfs/dbraw/zinc/38/53/70/760385370.db2.gz NXZJCSQBCXPUNU-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213389 760385377 /nfs/dbraw/zinc/38/53/77/760385377.db2.gz NXZJCSQBCXPUNU-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001108213389 760385387 /nfs/dbraw/zinc/38/53/87/760385387.db2.gz NXZJCSQBCXPUNU-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC)CC1 ZINC001085986459 760656549 /nfs/dbraw/zinc/65/65/49/760656549.db2.gz FFJOWIVBNRDSRK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001108764844 762925171 /nfs/dbraw/zinc/92/51/71/762925171.db2.gz YMFTUFNTQKMKGO-BBWFWOEESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001041432887 763028249 /nfs/dbraw/zinc/02/82/49/763028249.db2.gz UHCVXOIOKJXZLE-MJGOQNOKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432887 763028252 /nfs/dbraw/zinc/02/82/52/763028252.db2.gz UHCVXOIOKJXZLE-MJGOQNOKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001041432887 763028257 /nfs/dbraw/zinc/02/82/57/763028257.db2.gz UHCVXOIOKJXZLE-MJGOQNOKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446171 763036595 /nfs/dbraw/zinc/03/65/95/763036595.db2.gz QLMCCBCNKXUWGZ-IBGZPJMESA-N 2 1 322.412 1.896 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041674828 763214901 /nfs/dbraw/zinc/21/49/01/763214901.db2.gz LOOLHTXHNCJMJY-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041674828 763214909 /nfs/dbraw/zinc/21/49/09/763214909.db2.gz LOOLHTXHNCJMJY-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041674828 763214916 /nfs/dbraw/zinc/21/49/16/763214916.db2.gz LOOLHTXHNCJMJY-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183860 763281194 /nfs/dbraw/zinc/28/11/94/763281194.db2.gz VPMANBQPRGJKNC-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183860 763281203 /nfs/dbraw/zinc/28/12/03/763281203.db2.gz VPMANBQPRGJKNC-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183860 763281208 /nfs/dbraw/zinc/28/12/08/763281208.db2.gz VPMANBQPRGJKNC-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001050206491 763320707 /nfs/dbraw/zinc/32/07/07/763320707.db2.gz JDZDXZSGWNRFSG-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001050206491 763320716 /nfs/dbraw/zinc/32/07/16/763320716.db2.gz JDZDXZSGWNRFSG-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206491 763320727 /nfs/dbraw/zinc/32/07/27/763320727.db2.gz JDZDXZSGWNRFSG-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001050206491 763320736 /nfs/dbraw/zinc/32/07/36/763320736.db2.gz JDZDXZSGWNRFSG-BBWFWOEESA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001041785262 763324466 /nfs/dbraw/zinc/32/44/66/763324466.db2.gz DQHUQFIHWCUJHL-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785262 763324472 /nfs/dbraw/zinc/32/44/72/763324472.db2.gz DQHUQFIHWCUJHL-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041785262 763324477 /nfs/dbraw/zinc/32/44/77/763324477.db2.gz DQHUQFIHWCUJHL-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041785255 763325870 /nfs/dbraw/zinc/32/58/70/763325870.db2.gz DNDWKXSPJQCUPG-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785255 763325877 /nfs/dbraw/zinc/32/58/77/763325877.db2.gz DNDWKXSPJQCUPG-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041785255 763325887 /nfs/dbraw/zinc/32/58/87/763325887.db2.gz DNDWKXSPJQCUPG-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844539 763401701 /nfs/dbraw/zinc/40/17/01/763401701.db2.gz KHLHRGWCTXHLRH-GOSISDBHSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001050519124 763696716 /nfs/dbraw/zinc/69/67/16/763696716.db2.gz GSJVVIUGWQUGGG-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050539366 763729315 /nfs/dbraw/zinc/72/93/15/763729315.db2.gz PPWRQFKEHWLVCK-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042189039 763756915 /nfs/dbraw/zinc/75/69/15/763756915.db2.gz ZPDMYRLVOUKJHF-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042287395 763863035 /nfs/dbraw/zinc/86/30/35/763863035.db2.gz ILRNNYBKILENRV-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042287686 763863055 /nfs/dbraw/zinc/86/30/55/763863055.db2.gz MAXJMHINTREXOE-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654044 763913802 /nfs/dbraw/zinc/91/38/02/763913802.db2.gz SNGIFLOYFTUNEH-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042357023 763960698 /nfs/dbraw/zinc/96/06/98/763960698.db2.gz WLSHRNMRMUMERD-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042357023 763960703 /nfs/dbraw/zinc/96/07/03/763960703.db2.gz WLSHRNMRMUMERD-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090436890 764385505 /nfs/dbraw/zinc/38/55/05/764385505.db2.gz WOZHIRPAJQOGLH-HZPDHXFCSA-N 2 1 314.389 1.075 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H](C)O2 ZINC001131669303 768251350 /nfs/dbraw/zinc/25/13/50/768251350.db2.gz KYCHDHNMCXFHCT-YJBOKZPZSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H](C)O2 ZINC001131669303 768251355 /nfs/dbraw/zinc/25/13/55/768251355.db2.gz KYCHDHNMCXFHCT-YJBOKZPZSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C(C)(C)[NH+](C)CC)C[C@H](C)O2 ZINC001131669303 768251361 /nfs/dbraw/zinc/25/13/61/768251361.db2.gz KYCHDHNMCXFHCT-YJBOKZPZSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052513893 765907095 /nfs/dbraw/zinc/90/70/95/765907095.db2.gz KITQHSZFLUAKGA-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052513893 765907098 /nfs/dbraw/zinc/90/70/98/765907098.db2.gz KITQHSZFLUAKGA-AWEZNQCLSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651850 766038334 /nfs/dbraw/zinc/03/83/34/766038334.db2.gz NQUNQFJRBOMZBH-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651850 766038346 /nfs/dbraw/zinc/03/83/46/766038346.db2.gz NQUNQFJRBOMZBH-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651850 766038353 /nfs/dbraw/zinc/03/83/53/766038353.db2.gz NQUNQFJRBOMZBH-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045555825 766399446 /nfs/dbraw/zinc/39/94/46/766399446.db2.gz BCKDQTHLTLSWHH-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045555825 766399438 /nfs/dbraw/zinc/39/94/38/766399438.db2.gz BCKDQTHLTLSWHH-TZMCWYRMSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001045944133 766728138 /nfs/dbraw/zinc/72/81/38/766728138.db2.gz YHTKVSBTCPKWBO-SFHVURJKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001098478123 768607611 /nfs/dbraw/zinc/60/76/11/768607611.db2.gz WJRURTMECXHSHB-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098478123 768607617 /nfs/dbraw/zinc/60/76/17/768607617.db2.gz WJRURTMECXHSHB-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001098478123 768607624 /nfs/dbraw/zinc/60/76/24/768607624.db2.gz WJRURTMECXHSHB-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132139801 768644916 /nfs/dbraw/zinc/64/49/16/768644916.db2.gz BUXRHIKODQBRAH-JKSUJKDBSA-N 2 1 314.433 1.510 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[C@H]1C ZINC001132265780 768719972 /nfs/dbraw/zinc/71/99/72/768719972.db2.gz SFOLBFPISOCZFW-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365411 768778769 /nfs/dbraw/zinc/77/87/69/768778769.db2.gz JZJOMMDRVIUVGX-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132365411 768778772 /nfs/dbraw/zinc/77/87/72/768778772.db2.gz JZJOMMDRVIUVGX-DOTOQJQBSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)CC[C@@H]1C ZINC001132937696 769335197 /nfs/dbraw/zinc/33/51/97/769335197.db2.gz NNTZAPDKZBMMHY-JKSUJKDBSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133117671 769509794 /nfs/dbraw/zinc/50/97/94/769509794.db2.gz NIBIFNZXGGMWQY-CVEARBPZSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562225 769535674 /nfs/dbraw/zinc/53/56/74/769535674.db2.gz KURYTMYTJORIAA-ZOFXXKQRSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562225 769535680 /nfs/dbraw/zinc/53/56/80/769535680.db2.gz KURYTMYTJORIAA-ZOFXXKQRSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562225 769535689 /nfs/dbraw/zinc/53/56/89/769535689.db2.gz KURYTMYTJORIAA-ZOFXXKQRSA-N 2 1 303.450 1.177 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001133166246 769556425 /nfs/dbraw/zinc/55/64/25/769556425.db2.gz RNIITPOPMJUSOZ-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133315830 769705291 /nfs/dbraw/zinc/70/52/91/769705291.db2.gz XMGCZQVQUUUDHC-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048861404 770006698 /nfs/dbraw/zinc/00/66/98/770006698.db2.gz LRLSXNQYLKMJRV-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861404 770006711 /nfs/dbraw/zinc/00/67/11/770006711.db2.gz LRLSXNQYLKMJRV-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861404 770006721 /nfs/dbraw/zinc/00/67/21/770006721.db2.gz LRLSXNQYLKMJRV-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821114 770122852 /nfs/dbraw/zinc/12/28/52/770122852.db2.gz JMCWKWKFNGFAIJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821114 770122857 /nfs/dbraw/zinc/12/28/57/770122857.db2.gz JMCWKWKFNGFAIJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821114 770122860 /nfs/dbraw/zinc/12/28/60/770122860.db2.gz JMCWKWKFNGFAIJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@@H]1C ZINC001071821114 770122864 /nfs/dbraw/zinc/12/28/64/770122864.db2.gz JMCWKWKFNGFAIJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107290 770389760 /nfs/dbraw/zinc/38/97/60/770389760.db2.gz DASCSSAHJCQHFQ-YVSFHVDLSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107290 770389771 /nfs/dbraw/zinc/38/97/71/770389771.db2.gz DASCSSAHJCQHFQ-YVSFHVDLSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107290 770389776 /nfs/dbraw/zinc/38/97/76/770389776.db2.gz DASCSSAHJCQHFQ-YVSFHVDLSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC)C2)CC1 ZINC001072095537 770536157 /nfs/dbraw/zinc/53/61/57/770536157.db2.gz KDXAHSRDXMARQO-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[C@H]1C ZINC001072096291 770537597 /nfs/dbraw/zinc/53/75/97/770537597.db2.gz WXYVHKHNSGINEP-CRAIPNDOSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134126321 770684599 /nfs/dbraw/zinc/68/45/99/770684599.db2.gz KWXCASDCWHMSEO-SJORKVTESA-N 2 1 301.434 1.614 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001049464738 770886926 /nfs/dbraw/zinc/88/69/26/770886926.db2.gz OIVUCVWKDQEQKJ-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049464738 770886936 /nfs/dbraw/zinc/88/69/36/770886936.db2.gz OIVUCVWKDQEQKJ-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001049464738 770886945 /nfs/dbraw/zinc/88/69/45/770886945.db2.gz OIVUCVWKDQEQKJ-KSZLIROESA-N 2 1 317.477 1.948 20 30 DDEDMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049481004 770910238 /nfs/dbraw/zinc/91/02/38/770910238.db2.gz HGTHISXNGHUSKB-YVSFHVDLSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049481004 770910244 /nfs/dbraw/zinc/91/02/44/770910244.db2.gz HGTHISXNGHUSKB-YVSFHVDLSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049481004 770910250 /nfs/dbraw/zinc/91/02/50/770910250.db2.gz HGTHISXNGHUSKB-YVSFHVDLSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049804296 771173523 /nfs/dbraw/zinc/17/35/23/771173523.db2.gz FBTRHWLNDXRPKC-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001049821011 771185827 /nfs/dbraw/zinc/18/58/27/771185827.db2.gz QTDOQVGHAWWQEI-MSOLQXFVSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846186 771203439 /nfs/dbraw/zinc/20/34/39/771203439.db2.gz GGUSIVIODHPHKK-HZPDHXFCSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028045 771285525 /nfs/dbraw/zinc/28/55/25/771285525.db2.gz BMZCZGHUAVFSKU-UONOGXRCSA-N 2 1 308.426 1.267 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)o2)CC1 ZINC001136962756 772225928 /nfs/dbraw/zinc/22/59/28/772225928.db2.gz XXHNDFLGUWTCHU-UHFFFAOYSA-N 2 1 303.406 1.559 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001160386201 772285740 /nfs/dbraw/zinc/28/57/40/772285740.db2.gz MHEPGVIGZMGLGI-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001160386201 772285743 /nfs/dbraw/zinc/28/57/43/772285743.db2.gz MHEPGVIGZMGLGI-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001160386201 772285745 /nfs/dbraw/zinc/28/57/45/772285745.db2.gz MHEPGVIGZMGLGI-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001171183114 772529150 /nfs/dbraw/zinc/52/91/50/772529150.db2.gz BOFWMCJMRIPBMV-INIZCTEOSA-N 2 1 300.450 1.716 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)C1 ZINC001147993617 773325148 /nfs/dbraw/zinc/32/51/48/773325148.db2.gz YCPUREQJXCLZPW-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001073891117 773504539 /nfs/dbraw/zinc/50/45/39/773504539.db2.gz LQWNDXZYPNRGHO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073891117 773504542 /nfs/dbraw/zinc/50/45/42/773504542.db2.gz LQWNDXZYPNRGHO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001073891117 773504544 /nfs/dbraw/zinc/50/45/44/773504544.db2.gz LQWNDXZYPNRGHO-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001092658044 774209353 /nfs/dbraw/zinc/20/93/53/774209353.db2.gz DKCQGNRVABHODW-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658044 774209356 /nfs/dbraw/zinc/20/93/56/774209356.db2.gz DKCQGNRVABHODW-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001092658044 774209358 /nfs/dbraw/zinc/20/93/58/774209358.db2.gz DKCQGNRVABHODW-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001092675600 774214332 /nfs/dbraw/zinc/21/43/32/774214332.db2.gz JVQWJJJOPBAOSD-BRWVUGGUSA-N 2 1 307.482 1.834 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675600 774214334 /nfs/dbraw/zinc/21/43/34/774214334.db2.gz JVQWJJJOPBAOSD-BRWVUGGUSA-N 2 1 307.482 1.834 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001092675600 774214337 /nfs/dbraw/zinc/21/43/37/774214337.db2.gz JVQWJJJOPBAOSD-BRWVUGGUSA-N 2 1 307.482 1.834 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC001092734629 774238688 /nfs/dbraw/zinc/23/86/88/774238688.db2.gz CNLSGKQTXLSSDF-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)C1 ZINC001092734629 774238693 /nfs/dbraw/zinc/23/86/93/774238693.db2.gz CNLSGKQTXLSSDF-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)C1 ZINC001092734629 774238698 /nfs/dbraw/zinc/23/86/98/774238698.db2.gz CNLSGKQTXLSSDF-BPLDGKMQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092918481 774302192 /nfs/dbraw/zinc/30/21/92/774302192.db2.gz HTHXGWUKPSQEGP-UKRRQHHQSA-N 2 1 305.422 1.825 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001092906694 774314939 /nfs/dbraw/zinc/31/49/39/774314939.db2.gz CJTNVYKRLHYVCJ-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906694 774314948 /nfs/dbraw/zinc/31/49/48/774314948.db2.gz CJTNVYKRLHYVCJ-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001092906694 774314956 /nfs/dbraw/zinc/31/49/56/774314956.db2.gz CJTNVYKRLHYVCJ-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036748958 774471413 /nfs/dbraw/zinc/47/14/13/774471413.db2.gz OJZJCTVYPLYLHC-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001098841463 774690911 /nfs/dbraw/zinc/69/09/11/774690911.db2.gz JVFCQNLDHSNMAO-BQFCYCMXSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463525 774753804 /nfs/dbraw/zinc/75/38/04/774753804.db2.gz WUUBINVNAXRLJC-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001111463525 774753808 /nfs/dbraw/zinc/75/38/08/774753808.db2.gz WUUBINVNAXRLJC-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340103 774953095 /nfs/dbraw/zinc/95/30/95/774953095.db2.gz OXBUKDXTIKBMAC-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099936866 775443605 /nfs/dbraw/zinc/44/36/05/775443605.db2.gz FTPGNAOXFHTZON-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC)C2)CC1 ZINC001036903488 776078267 /nfs/dbraw/zinc/07/82/67/776078267.db2.gz BADGBFVRZDNVTA-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161333 776200485 /nfs/dbraw/zinc/20/04/85/776200485.db2.gz AKDOKDHBEAYVGH-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161333 776200490 /nfs/dbraw/zinc/20/04/90/776200490.db2.gz AKDOKDHBEAYVGH-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001100615031 776367238 /nfs/dbraw/zinc/36/72/38/776367238.db2.gz MIKWDHZQGCNZKZ-PCKAHOCUSA-N 2 1 314.433 1.262 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001171725833 776424338 /nfs/dbraw/zinc/42/43/38/776424338.db2.gz SLMKMRUGEMBTAX-UHFFFAOYSA-N 2 1 316.449 1.886 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150070823 776852136 /nfs/dbraw/zinc/85/21/36/776852136.db2.gz LTMFKPSNBFXHJO-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101478179 777162608 /nfs/dbraw/zinc/16/26/08/777162608.db2.gz BPBCXIHDEZANEW-AEFFLSMTSA-N 2 1 323.481 1.310 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478179 777162613 /nfs/dbraw/zinc/16/26/13/777162613.db2.gz BPBCXIHDEZANEW-AEFFLSMTSA-N 2 1 323.481 1.310 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101478179 777162614 /nfs/dbraw/zinc/16/26/14/777162614.db2.gz BPBCXIHDEZANEW-AEFFLSMTSA-N 2 1 323.481 1.310 20 30 DDEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174912904 777632599 /nfs/dbraw/zinc/63/25/99/777632599.db2.gz HGTMRGGCFMQSNZ-DLBZAZTESA-N 2 1 323.481 1.384 20 30 DDEDMP C#CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174912904 777632604 /nfs/dbraw/zinc/63/26/04/777632604.db2.gz HGTMRGGCFMQSNZ-DLBZAZTESA-N 2 1 323.481 1.384 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047781 777831940 /nfs/dbraw/zinc/83/19/40/777831940.db2.gz SKFJARNFHGQVED-DFBGVHRSSA-N 2 1 313.873 1.763 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150606057 778169944 /nfs/dbraw/zinc/16/99/44/778169944.db2.gz BAQQBCRKYZFESF-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600990 778233421 /nfs/dbraw/zinc/23/34/21/778233421.db2.gz GFHGEBQFDBOTSQ-TZMCWYRMSA-N 2 1 301.862 1.763 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600990 778233425 /nfs/dbraw/zinc/23/34/25/778233425.db2.gz GFHGEBQFDBOTSQ-TZMCWYRMSA-N 2 1 301.862 1.763 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600990 778233428 /nfs/dbraw/zinc/23/34/28/778233428.db2.gz GFHGEBQFDBOTSQ-TZMCWYRMSA-N 2 1 301.862 1.763 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308799 778774103 /nfs/dbraw/zinc/77/41/03/778774103.db2.gz HQKYZLFHQUIXKD-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)Cn1c[nH+]cc1C ZINC001179029479 779269015 /nfs/dbraw/zinc/26/90/15/779269015.db2.gz ILTGJQKLRLUOSU-UHFFFAOYSA-N 2 1 320.437 1.108 20 30 DDEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001179371285 779363896 /nfs/dbraw/zinc/36/38/96/779363896.db2.gz ODTVDVGLELPJAE-KRWDZBQOSA-N 2 1 323.481 1.385 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004530 779594671 /nfs/dbraw/zinc/59/46/71/779594671.db2.gz ISTJXUWCWADOAA-HKUYNNGSSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114974218 779797182 /nfs/dbraw/zinc/79/71/82/779797182.db2.gz ARDWDJPKWQTUIN-QLPKVWCKSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114974218 779797190 /nfs/dbraw/zinc/79/71/90/779797190.db2.gz ARDWDJPKWQTUIN-QLPKVWCKSA-N 2 1 300.406 1.041 20 30 DDEDMP C=CCOCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266288342 836059195 /nfs/dbraw/zinc/05/91/95/836059195.db2.gz GCZPIBJOOVDUDR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266288342 836059202 /nfs/dbraw/zinc/05/92/02/836059202.db2.gz GCZPIBJOOVDUDR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266288342 836059214 /nfs/dbraw/zinc/05/92/14/836059214.db2.gz GCZPIBJOOVDUDR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266472125 836312351 /nfs/dbraw/zinc/31/23/51/836312351.db2.gz CQRQYVCNLJXQOI-MRXNPFEDSA-N 2 1 304.438 1.938 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266472125 836312367 /nfs/dbraw/zinc/31/23/67/836312367.db2.gz CQRQYVCNLJXQOI-MRXNPFEDSA-N 2 1 304.438 1.938 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266472124 836313347 /nfs/dbraw/zinc/31/33/47/836313347.db2.gz CQRQYVCNLJXQOI-INIZCTEOSA-N 2 1 304.438 1.938 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266472124 836313359 /nfs/dbraw/zinc/31/33/59/836313359.db2.gz CQRQYVCNLJXQOI-INIZCTEOSA-N 2 1 304.438 1.938 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001266638582 836576148 /nfs/dbraw/zinc/57/61/48/836576148.db2.gz ZHKHEQQIFUJUGB-FPCVCCKLSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001266638582 836576154 /nfs/dbraw/zinc/57/61/54/836576154.db2.gz ZHKHEQQIFUJUGB-FPCVCCKLSA-N 2 1 309.454 1.299 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266659902 836609243 /nfs/dbraw/zinc/60/92/43/836609243.db2.gz RXIXOJRJSYOWKD-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001266703382 836693660 /nfs/dbraw/zinc/69/36/60/836693660.db2.gz HNNAHZULNPTHLN-IUODEOHRSA-N 2 1 320.462 1.508 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267634515 838542996 /nfs/dbraw/zinc/54/29/96/838542996.db2.gz CFIPRQMHRVETKJ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267634515 838542999 /nfs/dbraw/zinc/54/29/99/838542999.db2.gz CFIPRQMHRVETKJ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001267855606 839085478 /nfs/dbraw/zinc/08/54/78/839085478.db2.gz DUGDNTGIRMUJPW-SJLPKXTDSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001269553572 841760149 /nfs/dbraw/zinc/76/01/49/841760149.db2.gz WEIOEVPKJYXPQY-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC001270791658 842905536 /nfs/dbraw/zinc/90/55/36/842905536.db2.gz PYXWXGWVBVDCOW-GOSISDBHSA-N 2 1 323.456 1.851 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000996934538 846889112 /nfs/dbraw/zinc/88/91/12/846889112.db2.gz LTJFTTLZDSPIEB-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000996996910 847107939 /nfs/dbraw/zinc/10/79/39/847107939.db2.gz AMLXUMZZJUODPN-QGZVFWFLSA-N 2 1 309.429 1.413 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000997098386 847353930 /nfs/dbraw/zinc/35/39/30/847353930.db2.gz SBDPJUZLLHJYTO-UHFFFAOYSA-N 2 1 315.845 1.042 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244085 861890547 /nfs/dbraw/zinc/89/05/47/861890547.db2.gz DQESOKKRWRVNIT-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244085 861890575 /nfs/dbraw/zinc/89/05/75/861890575.db2.gz DQESOKKRWRVNIT-GDBMZVCRSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCc2nccn2C)CC1 ZINC001273437128 850408262 /nfs/dbraw/zinc/40/82/62/850408262.db2.gz IXHATSYGWWEZFV-HNNXBMFYSA-N 2 1 302.422 1.347 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001273475891 851002152 /nfs/dbraw/zinc/00/21/52/851002152.db2.gz VDXDMDNEDSPUQZ-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273828128 851390715 /nfs/dbraw/zinc/39/07/15/851390715.db2.gz ZOUBJSFHZHPZAV-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273828128 851390724 /nfs/dbraw/zinc/39/07/24/851390724.db2.gz ZOUBJSFHZHPZAV-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC2CCCC2)CC1 ZINC001275730736 853641752 /nfs/dbraw/zinc/64/17/52/853641752.db2.gz XBPFQIRUHUBFPU-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276009955 854151005 /nfs/dbraw/zinc/15/10/05/854151005.db2.gz CIXRKTJFLBVCNE-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001276009955 854151007 /nfs/dbraw/zinc/15/10/07/854151007.db2.gz CIXRKTJFLBVCNE-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095765700 855330117 /nfs/dbraw/zinc/33/01/17/855330117.db2.gz RCNRRCSVVYMJST-PVAVHDDUSA-N 2 1 308.385 1.693 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001095765700 855330123 /nfs/dbraw/zinc/33/01/23/855330123.db2.gz RCNRRCSVVYMJST-PVAVHDDUSA-N 2 1 308.385 1.693 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC001072813136 857741431 /nfs/dbraw/zinc/74/14/31/857741431.db2.gz GDJPGFRZJIVMEO-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813136 857741433 /nfs/dbraw/zinc/74/14/33/857741433.db2.gz GDJPGFRZJIVMEO-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813136 857741436 /nfs/dbraw/zinc/74/14/36/857741436.db2.gz GDJPGFRZJIVMEO-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001328412414 862956894 /nfs/dbraw/zinc/95/68/94/862956894.db2.gz ABXUTCJAPXOJAN-YOEHRIQHSA-N 2 1 311.445 1.707 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001073036897 858029846 /nfs/dbraw/zinc/02/98/46/858029846.db2.gz OZEPPTYDRQPSPQ-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC001073084184 858081951 /nfs/dbraw/zinc/08/19/51/858081951.db2.gz WSGJHCINCAQCQX-UHFFFAOYSA-N 2 1 323.400 1.601 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC001073084184 858081954 /nfs/dbraw/zinc/08/19/54/858081954.db2.gz WSGJHCINCAQCQX-UHFFFAOYSA-N 2 1 323.400 1.601 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122055369 858673695 /nfs/dbraw/zinc/67/36/95/858673695.db2.gz BNVPGJMNCGLENU-XOGYLQAWSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001277008061 881602192 /nfs/dbraw/zinc/60/21/92/881602192.db2.gz MAFZVGUQCFUSLO-ULQDDVLXSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001328763729 863201244 /nfs/dbraw/zinc/20/12/44/863201244.db2.gz FSMPCIAXEGUTDD-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001328763729 863201254 /nfs/dbraw/zinc/20/12/54/863201254.db2.gz FSMPCIAXEGUTDD-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001328763729 863201263 /nfs/dbraw/zinc/20/12/63/863201263.db2.gz FSMPCIAXEGUTDD-INIZCTEOSA-N 2 1 307.482 1.910 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152445571 863349416 /nfs/dbraw/zinc/34/94/16/863349416.db2.gz JJNSHYUKMBCHHG-LBPRGKRZSA-N 2 1 318.259 1.475 20 30 DDEDMP C=CCCN1CC(CCO)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001329692584 863793552 /nfs/dbraw/zinc/79/35/52/863793552.db2.gz GHURTLPFWCNMTB-INIZCTEOSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001329692584 863793558 /nfs/dbraw/zinc/79/35/58/863793558.db2.gz GHURTLPFWCNMTB-INIZCTEOSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001329692584 863793563 /nfs/dbraw/zinc/79/35/63/863793563.db2.gz GHURTLPFWCNMTB-INIZCTEOSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001330186541 864136865 /nfs/dbraw/zinc/13/68/65/864136865.db2.gz ZBIYKOXIPBSWSE-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001330186541 864136873 /nfs/dbraw/zinc/13/68/73/864136873.db2.gz ZBIYKOXIPBSWSE-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001330186541 864136877 /nfs/dbraw/zinc/13/68/77/864136877.db2.gz ZBIYKOXIPBSWSE-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001330186541 864136882 /nfs/dbraw/zinc/13/68/82/864136882.db2.gz ZBIYKOXIPBSWSE-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001154012774 864316576 /nfs/dbraw/zinc/31/65/76/864316576.db2.gz OGBFJNUQVOOXFO-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330447982 864355941 /nfs/dbraw/zinc/35/59/41/864355941.db2.gz WFOREHXGUXGOQA-JKSUJKDBSA-N 2 1 311.470 1.498 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001331470248 865104523 /nfs/dbraw/zinc/10/45/23/865104523.db2.gz OCGRHDFKEDCFTI-RDJZCZTQSA-N 2 1 305.466 1.853 20 30 DDEDMP Cc1[nH+]c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])ccc1CC#N ZINC001159243479 865183452 /nfs/dbraw/zinc/18/34/52/865183452.db2.gz OPEZSIZWDUZTPR-FMKPAKJESA-N 2 1 304.394 1.593 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001332115628 865587838 /nfs/dbraw/zinc/58/78/38/865587838.db2.gz FJDYOHAWLUCEQZ-HKUYNNGSSA-N 2 1 317.477 1.999 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332900232 866234622 /nfs/dbraw/zinc/23/46/22/866234622.db2.gz SUXVMNKZKVWFAR-LSDHHAIUSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332900232 866234640 /nfs/dbraw/zinc/23/46/40/866234640.db2.gz SUXVMNKZKVWFAR-LSDHHAIUSA-N 2 1 311.470 1.404 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H](C[N@@H+](C)CCC)C2)C1 ZINC001333216788 866528756 /nfs/dbraw/zinc/52/87/56/866528756.db2.gz ZAQBSSCKORALNK-SJORKVTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)C1 ZINC001333216788 866528762 /nfs/dbraw/zinc/52/87/62/866528762.db2.gz ZAQBSSCKORALNK-SJORKVTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](C)CCC)C2)C1 ZINC001333216788 866528771 /nfs/dbraw/zinc/52/87/71/866528771.db2.gz ZAQBSSCKORALNK-SJORKVTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H](C[NH+](C)CCC)C2)C1 ZINC001333216788 866528775 /nfs/dbraw/zinc/52/87/75/866528775.db2.gz ZAQBSSCKORALNK-SJORKVTESA-N 2 1 320.481 1.457 20 30 DDEDMP C[C@]1(CO)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(CO)C2)C1 ZINC001323359937 866561933 /nfs/dbraw/zinc/56/19/33/866561933.db2.gz ANAIQKISRCLAFA-ROUUACIJSA-N 2 1 308.466 1.179 20 30 DDEDMP C=C[C@@H](COC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320311231 866630772 /nfs/dbraw/zinc/63/07/72/866630772.db2.gz CLBDCXOHONPCMS-HNNXBMFYSA-N 2 1 307.413 1.868 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001161555142 866765612 /nfs/dbraw/zinc/76/56/12/866765612.db2.gz XUZXJAGMCYAQPC-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001324656125 867433047 /nfs/dbraw/zinc/43/30/47/867433047.db2.gz KLEZZELSGBWIRB-SJLPKXTDSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001321967049 867903814 /nfs/dbraw/zinc/90/38/14/867903814.db2.gz WNUOIJKUXLSRFW-DZGCQCFKSA-N 2 1 320.437 1.051 20 30 DDEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001322307068 868107133 /nfs/dbraw/zinc/10/71/33/868107133.db2.gz OKGUZXUJRNZPMR-CQSZACIVSA-N 2 1 305.422 1.805 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C1CC1 ZINC001317029639 870136605 /nfs/dbraw/zinc/13/66/05/870136605.db2.gz JDTHDDJSQRNCMR-MSOLQXFVSA-N 2 1 313.445 1.797 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317062283 870186559 /nfs/dbraw/zinc/18/65/59/870186559.db2.gz FZEKBOZCVCOJBB-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCn1c([C@@H]2CCCN2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001338994707 870287212 /nfs/dbraw/zinc/28/72/12/870287212.db2.gz HXFQRCUNCWREPF-AWEZNQCLSA-N 2 1 318.469 1.761 20 30 DDEDMP C=CCn1c([C@@H]2CCCN2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001338994707 870287227 /nfs/dbraw/zinc/28/72/27/870287227.db2.gz HXFQRCUNCWREPF-AWEZNQCLSA-N 2 1 318.469 1.761 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317137132 870342163 /nfs/dbraw/zinc/34/21/63/870342163.db2.gz FTGYMHDCFWLYHE-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317137132 870342170 /nfs/dbraw/zinc/34/21/70/870342170.db2.gz FTGYMHDCFWLYHE-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317137132 870342171 /nfs/dbraw/zinc/34/21/71/870342171.db2.gz FTGYMHDCFWLYHE-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317142966 870353968 /nfs/dbraw/zinc/35/39/68/870353968.db2.gz IBPOQYHEIQCSCG-INIZCTEOSA-N 2 1 321.465 1.113 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317178092 870949128 /nfs/dbraw/zinc/94/91/28/870949128.db2.gz ABCSFEFMRAHQBG-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317178092 870949138 /nfs/dbraw/zinc/94/91/38/870949138.db2.gz ABCSFEFMRAHQBG-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204875819 871272873 /nfs/dbraw/zinc/27/28/73/871272873.db2.gz FPVFXBNHLWKAOI-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875819 871272888 /nfs/dbraw/zinc/27/28/88/871272888.db2.gz FPVFXBNHLWKAOI-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284796 871484758 /nfs/dbraw/zinc/48/47/58/871484758.db2.gz QNQRAIVCJCDSCS-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001205420522 871545601 /nfs/dbraw/zinc/54/56/01/871545601.db2.gz YQVVTRJJVQQCLR-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001316807057 872077192 /nfs/dbraw/zinc/07/71/92/872077192.db2.gz YEZNQMMTSYFQMT-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001316807057 872077214 /nfs/dbraw/zinc/07/72/14/872077214.db2.gz YEZNQMMTSYFQMT-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001318608679 872168103 /nfs/dbraw/zinc/16/81/03/872168103.db2.gz XOQKMYKDFYCCSK-QGZVFWFLSA-N 2 1 301.434 1.626 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001318608679 872168112 /nfs/dbraw/zinc/16/81/12/872168112.db2.gz XOQKMYKDFYCCSK-QGZVFWFLSA-N 2 1 301.434 1.626 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2CCCC2)CC1 ZINC001316870780 872180198 /nfs/dbraw/zinc/18/01/98/872180198.db2.gz RUFMXKARMBXXBP-UHFFFAOYSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001343426590 872620747 /nfs/dbraw/zinc/62/07/47/872620747.db2.gz YKVFFQSDBFONAZ-FUHWJXTLSA-N 2 1 313.445 1.721 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013766 873749088 /nfs/dbraw/zinc/74/90/88/873749088.db2.gz JSFNNSKJHMHWPC-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001378127874 874203515 /nfs/dbraw/zinc/20/35/15/874203515.db2.gz GDAUEAIHZCINFJ-PBHICJAKSA-N 2 1 316.449 1.835 20 30 DDEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N)[NH+](C)C ZINC001378127874 874203523 /nfs/dbraw/zinc/20/35/23/874203523.db2.gz GDAUEAIHZCINFJ-PBHICJAKSA-N 2 1 316.449 1.835 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276586865 874452628 /nfs/dbraw/zinc/45/26/28/874452628.db2.gz QVUPZFPPEOTVEO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001276586865 874452634 /nfs/dbraw/zinc/45/26/34/874452634.db2.gz QVUPZFPPEOTVEO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001276586865 874452639 /nfs/dbraw/zinc/45/26/39/874452639.db2.gz QVUPZFPPEOTVEO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209488776 874918579 /nfs/dbraw/zinc/91/85/79/874918579.db2.gz QYZWHNPERBYZRX-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209488776 874918584 /nfs/dbraw/zinc/91/85/84/874918584.db2.gz QYZWHNPERBYZRX-GDBMZVCRSA-N 2 1 302.422 1.432 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378852307 875772956 /nfs/dbraw/zinc/77/29/56/875772956.db2.gz LJICAMXBMZMQFN-STQMWFEESA-N 2 1 320.462 1.508 20 30 DDEDMP C[C@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379410997 877010079 /nfs/dbraw/zinc/01/00/79/877010079.db2.gz GDLCEBJVHVAIAU-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379410997 877010090 /nfs/dbraw/zinc/01/00/90/877010090.db2.gz GDLCEBJVHVAIAU-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CCC[NH+](C)C ZINC001379723966 877830665 /nfs/dbraw/zinc/83/06/65/877830665.db2.gz NSGBHCGWYYSBAO-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](O)C1 ZINC001220344788 878941458 /nfs/dbraw/zinc/94/14/58/878941458.db2.gz IRLTXSBRHCPXQL-PMPSAXMXSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001220994403 879435236 /nfs/dbraw/zinc/43/52/36/879435236.db2.gz PKSNMDDARRKQOE-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221091238 879490890 /nfs/dbraw/zinc/49/08/90/879490890.db2.gz HDPUAQJPOKHNDN-CVEARBPZSA-N 2 1 313.486 1.458 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091238 879490895 /nfs/dbraw/zinc/49/08/95/879490895.db2.gz HDPUAQJPOKHNDN-CVEARBPZSA-N 2 1 313.486 1.458 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221091238 879490900 /nfs/dbraw/zinc/49/09/00/879490900.db2.gz HDPUAQJPOKHNDN-CVEARBPZSA-N 2 1 313.486 1.458 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647412 879990740 /nfs/dbraw/zinc/99/07/40/879990740.db2.gz ZDMKXWDDUUVLQR-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647412 879990749 /nfs/dbraw/zinc/99/07/49/879990749.db2.gz ZDMKXWDDUUVLQR-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647412 879990753 /nfs/dbraw/zinc/99/07/53/879990753.db2.gz ZDMKXWDDUUVLQR-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001276954678 881286257 /nfs/dbraw/zinc/28/62/57/881286257.db2.gz BDOKUTRLHSBKRC-VGWMRTNUSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001276954678 881286269 /nfs/dbraw/zinc/28/62/69/881286269.db2.gz BDOKUTRLHSBKRC-VGWMRTNUSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CC[NH+](CCCNC(=O)C[N@H+](C)CCC)Cc1cccnc1 ZINC001230906176 885034386 /nfs/dbraw/zinc/03/43/86/885034386.db2.gz OTCOIQGOPDXONJ-UHFFFAOYSA-N 2 1 318.465 1.918 20 30 DDEDMP C=CC[N@@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230906176 885034393 /nfs/dbraw/zinc/03/43/93/885034393.db2.gz OTCOIQGOPDXONJ-UHFFFAOYSA-N 2 1 318.465 1.918 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)C[NH+](C)CCC)Cc1cccnc1 ZINC001230906176 885034402 /nfs/dbraw/zinc/03/44/02/885034402.db2.gz OTCOIQGOPDXONJ-UHFFFAOYSA-N 2 1 318.465 1.918 20 30 DDEDMP CC[NH+]1CCC(N2CCC[N@@H+](CCO[C@H](C)C#N)CC2)CC1 ZINC001363799666 887253318 /nfs/dbraw/zinc/25/33/18/887253318.db2.gz FPXZZZPUZSONLJ-MRXNPFEDSA-N 2 1 308.470 1.407 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001234401474 887937532 /nfs/dbraw/zinc/93/75/32/887937532.db2.gz FKBVELLPPCHEHJ-BZUAXINKSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401474 887937544 /nfs/dbraw/zinc/93/75/44/887937544.db2.gz FKBVELLPPCHEHJ-BZUAXINKSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001234401474 887937549 /nfs/dbraw/zinc/93/75/49/887937549.db2.gz FKBVELLPPCHEHJ-BZUAXINKSA-N 2 1 309.454 1.062 20 30 DDEDMP CCc1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)ccc1C#N ZINC001238767506 890336616 /nfs/dbraw/zinc/33/66/16/890336616.db2.gz WJVBMOKYDWGCLV-UHFFFAOYSA-N 2 1 300.450 1.800 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278388907 891922105 /nfs/dbraw/zinc/92/21/05/891922105.db2.gz NZPGZQOUEDGSRF-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001278388907 891922117 /nfs/dbraw/zinc/92/21/17/891922117.db2.gz NZPGZQOUEDGSRF-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001278388907 891922100 /nfs/dbraw/zinc/92/21/00/891922100.db2.gz NZPGZQOUEDGSRF-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278425540 892326579 /nfs/dbraw/zinc/32/65/79/892326579.db2.gz AWPRZBIOJQLRSE-IAGOWNOFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278425540 892326598 /nfs/dbraw/zinc/32/65/98/892326598.db2.gz AWPRZBIOJQLRSE-IAGOWNOFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278425540 892326616 /nfs/dbraw/zinc/32/66/16/892326616.db2.gz AWPRZBIOJQLRSE-IAGOWNOFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278425540 892326635 /nfs/dbraw/zinc/32/66/35/892326635.db2.gz AWPRZBIOJQLRSE-IAGOWNOFSA-N 2 1 309.429 1.413 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([NH2+][C@H]3C[NH2+]CC34CC4)CC2)cc1 ZINC001246131549 892427488 /nfs/dbraw/zinc/42/74/88/892427488.db2.gz KPSJLWOYXRCPPS-KRWDZBQOSA-N 2 1 324.428 1.504 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001246306258 892528407 /nfs/dbraw/zinc/52/84/07/892528407.db2.gz UTAQDVUZMCMQEW-IHRRRGAJSA-N 2 1 313.398 1.248 20 30 DDEDMP C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CC[NH2+]CC3)C2)C1 ZINC001246551463 892692356 /nfs/dbraw/zinc/69/23/56/892692356.db2.gz RADKYYXCZRGFNR-KRWDZBQOSA-N 2 1 307.438 1.849 20 30 DDEDMP CC#CC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001278632231 894658342 /nfs/dbraw/zinc/65/83/42/894658342.db2.gz KSXKSXUDZPBDAK-MRXNPFEDSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001278787099 896465131 /nfs/dbraw/zinc/46/51/31/896465131.db2.gz NOFABOWSVSKJCH-YJBOKZPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278787099 896465138 /nfs/dbraw/zinc/46/51/38/896465138.db2.gz NOFABOWSVSKJCH-YJBOKZPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001278787099 896465146 /nfs/dbraw/zinc/46/51/46/896465146.db2.gz NOFABOWSVSKJCH-YJBOKZPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254676214 896570287 /nfs/dbraw/zinc/57/02/87/896570287.db2.gz JALQVOUQAROWED-ROUUACIJSA-N 2 1 302.466 1.970 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001390501971 899554194 /nfs/dbraw/zinc/55/41/94/899554194.db2.gz CAHJLCIATHIVGH-ZDUSSCGKSA-N 2 1 320.412 1.633 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001390509612 899571799 /nfs/dbraw/zinc/57/17/99/899571799.db2.gz OXPPKCVXUNUJFX-ZDUSSCGKSA-N 2 1 320.412 1.633 20 30 DDEDMP C=CCC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264078422 900913988 /nfs/dbraw/zinc/91/39/88/900913988.db2.gz KGVWIGCNGODQPY-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264078422 900913995 /nfs/dbraw/zinc/91/39/95/900913995.db2.gz KGVWIGCNGODQPY-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001264078422 900914003 /nfs/dbraw/zinc/91/40/03/900914003.db2.gz KGVWIGCNGODQPY-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001264558068 901182996 /nfs/dbraw/zinc/18/29/96/901182996.db2.gz AJWZCYATPFFKTP-SQNIBIBYSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266059578 902861547 /nfs/dbraw/zinc/86/15/47/902861547.db2.gz KTXFBTNYCHVRMU-UONOGXRCSA-N 2 1 318.421 1.390 20 30 DDEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266144575 903017080 /nfs/dbraw/zinc/01/70/80/903017080.db2.gz VISDSYSPKMRYCG-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001370406975 903088477 /nfs/dbraw/zinc/08/84/77/903088477.db2.gz YQNYETBIPZOXIO-LBPRGKRZSA-N 2 1 318.259 1.427 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001280524018 903760595 /nfs/dbraw/zinc/76/05/95/903760595.db2.gz YJMUVXFMWIWSKZ-HZPDHXFCSA-N 2 1 303.450 1.655 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001281975412 905382657 /nfs/dbraw/zinc/38/26/57/905382657.db2.gz MYHNNGDQZULLSJ-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281975412 905382679 /nfs/dbraw/zinc/38/26/79/905382679.db2.gz MYHNNGDQZULLSJ-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001281975412 905382695 /nfs/dbraw/zinc/38/26/95/905382695.db2.gz MYHNNGDQZULLSJ-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001283043311 906522855 /nfs/dbraw/zinc/52/28/55/906522855.db2.gz KCQAGQAERYJYIU-KLHDSHLOSA-N 2 1 309.454 1.014 20 30 DDEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001373289106 909421497 /nfs/dbraw/zinc/42/14/97/909421497.db2.gz CHGHURHTOHCLPP-HIFRSBDPSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001373289106 909421505 /nfs/dbraw/zinc/42/15/05/909421505.db2.gz CHGHURHTOHCLPP-HIFRSBDPSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001373289106 909421514 /nfs/dbraw/zinc/42/15/14/909421514.db2.gz CHGHURHTOHCLPP-HIFRSBDPSA-N 2 1 313.873 1.861 20 30 DDEDMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001377009606 920076339 /nfs/dbraw/zinc/07/63/39/920076339.db2.gz FVDHJKXEANIZNV-DOMZBBRYSA-N 2 1 320.462 1.698 20 30 DDEDMP C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001377788358 923040317 /nfs/dbraw/zinc/04/03/17/923040317.db2.gz FFVPHSJREZZWNS-HNNXBMFYSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001377788358 923040335 /nfs/dbraw/zinc/04/03/35/923040335.db2.gz FFVPHSJREZZWNS-HNNXBMFYSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001377788358 923040350 /nfs/dbraw/zinc/04/03/50/923040350.db2.gz FFVPHSJREZZWNS-HNNXBMFYSA-N 2 1 313.873 1.861 20 30 DDEDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000181687147 199338193 /nfs/dbraw/zinc/33/81/93/199338193.db2.gz BHPGSRRHRHWIOT-CQSZACIVSA-N 2 1 300.406 1.373 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029736 353704702 /nfs/dbraw/zinc/70/47/02/353704702.db2.gz OVQZYIZVUKTOSI-UKRRQHHQSA-N 2 1 302.422 1.899 20 30 DDEDMP [NH2+]=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)NC1CCCCCC1 ZINC000092278763 353850003 /nfs/dbraw/zinc/85/00/03/353850003.db2.gz YADAQBWRSYEYMS-CVEARBPZSA-N 2 1 308.470 1.867 20 30 DDEDMP [NH2+]=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)NC1CCCCCC1 ZINC000092278763 353850005 /nfs/dbraw/zinc/85/00/05/353850005.db2.gz YADAQBWRSYEYMS-CVEARBPZSA-N 2 1 308.470 1.867 20 30 DDEDMP C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730688 354282198 /nfs/dbraw/zinc/28/21/98/354282198.db2.gz GMVKAZHDMFCIHC-CVEARBPZSA-N 2 1 320.481 1.991 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(F)c(C#N)c1 ZINC000597942293 357392820 /nfs/dbraw/zinc/39/28/20/357392820.db2.gz LCAAXKIIVZRWHT-ZDUSSCGKSA-N 2 1 320.412 1.699 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(F)c(C#N)c1 ZINC000597942293 357392824 /nfs/dbraw/zinc/39/28/24/357392824.db2.gz LCAAXKIIVZRWHT-ZDUSSCGKSA-N 2 1 320.412 1.699 20 30 DDEDMP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000598620698 357657607 /nfs/dbraw/zinc/65/76/07/357657607.db2.gz NLTWYMDVHIAYBV-HNNXBMFYSA-N 2 1 309.454 1.114 20 30 DDEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCOCC1 ZINC000599298512 357881475 /nfs/dbraw/zinc/88/14/75/357881475.db2.gz ULUMSEQSYGJOIP-IAGOWNOFSA-N 2 1 321.465 1.475 20 30 DDEDMP Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C#N ZINC000600704647 358287371 /nfs/dbraw/zinc/28/73/71/358287371.db2.gz OYHNPXGZTDUICG-HNNXBMFYSA-N 2 1 300.406 1.154 20 30 DDEDMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)cc1 ZINC000602602936 359066194 /nfs/dbraw/zinc/06/61/94/359066194.db2.gz PBZVRYKSTPKICJ-DLBZAZTESA-N 2 1 314.433 1.707 20 30 DDEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000603109413 359408471 /nfs/dbraw/zinc/40/84/71/359408471.db2.gz AGLQEFZMFJARGJ-SFHVURJKSA-N 2 1 320.481 1.993 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110591 359408195 /nfs/dbraw/zinc/40/81/95/359408195.db2.gz MFXHJOJOSYAPGE-HNNXBMFYSA-N 2 1 324.469 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120462064 781960713 /nfs/dbraw/zinc/96/07/13/781960713.db2.gz VECNYQMQMJFVNR-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120462064 781960726 /nfs/dbraw/zinc/96/07/26/781960726.db2.gz VECNYQMQMJFVNR-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120462064 781960739 /nfs/dbraw/zinc/96/07/39/781960739.db2.gz VECNYQMQMJFVNR-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@](C)(O)c1cc(C)oc1C ZINC000262373523 407817436 /nfs/dbraw/zinc/81/74/36/407817436.db2.gz KGMUXAIPPAAYIG-WMLDXEAASA-N 2 1 322.453 1.221 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285784491 408863753 /nfs/dbraw/zinc/86/37/53/408863753.db2.gz UILGOLICSNNBLI-HNNXBMFYSA-N 2 1 320.437 1.794 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285784491 408863755 /nfs/dbraw/zinc/86/37/55/408863755.db2.gz UILGOLICSNNBLI-HNNXBMFYSA-N 2 1 320.437 1.794 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292046251 408968775 /nfs/dbraw/zinc/96/87/75/408968775.db2.gz AWLVVRRRBGQABQ-HZPDHXFCSA-N 2 1 300.406 1.891 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292046251 408968778 /nfs/dbraw/zinc/96/87/78/408968778.db2.gz AWLVVRRRBGQABQ-HZPDHXFCSA-N 2 1 300.406 1.891 20 30 DDEDMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292046251 408968781 /nfs/dbraw/zinc/96/87/81/408968781.db2.gz AWLVVRRRBGQABQ-HZPDHXFCSA-N 2 1 300.406 1.891 20 30 DDEDMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292046251 408968785 /nfs/dbraw/zinc/96/87/85/408968785.db2.gz AWLVVRRRBGQABQ-HZPDHXFCSA-N 2 1 300.406 1.891 20 30 DDEDMP C=CCc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc(OC)c1O ZINC000358169261 410393977 /nfs/dbraw/zinc/39/39/77/410393977.db2.gz RAELRPFNNAMPHO-QGZVFWFLSA-N 2 1 306.406 1.286 20 30 DDEDMP C=CCc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc(OC)c1O ZINC000358169261 410393983 /nfs/dbraw/zinc/39/39/83/410393983.db2.gz RAELRPFNNAMPHO-QGZVFWFLSA-N 2 1 306.406 1.286 20 30 DDEDMP C=CCc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc(OC)c1O ZINC000358169260 410394109 /nfs/dbraw/zinc/39/41/09/410394109.db2.gz RAELRPFNNAMPHO-KRWDZBQOSA-N 2 1 306.406 1.286 20 30 DDEDMP C=CCc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc(OC)c1O ZINC000358169260 410394114 /nfs/dbraw/zinc/39/41/14/410394114.db2.gz RAELRPFNNAMPHO-KRWDZBQOSA-N 2 1 306.406 1.286 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000358825216 410533750 /nfs/dbraw/zinc/53/37/50/410533750.db2.gz GACIWJUXGBEJRP-UHFFFAOYSA-N 2 1 308.470 1.763 20 30 DDEDMP C=CC[N@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000647881556 423095429 /nfs/dbraw/zinc/09/54/29/423095429.db2.gz IWEYWINFYFFIEK-OAHLLOKOSA-N 2 1 300.468 1.441 20 30 DDEDMP C=CC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000647881556 423095434 /nfs/dbraw/zinc/09/54/34/423095434.db2.gz IWEYWINFYFFIEK-OAHLLOKOSA-N 2 1 300.468 1.441 20 30 DDEDMP CC1(C)C[NH+](CC#CC[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000367465254 418602826 /nfs/dbraw/zinc/60/28/26/418602826.db2.gz YYWBQVIHOWEBGA-UHFFFAOYSA-N 2 1 308.466 1.992 20 30 DDEDMP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262451230 222281279 /nfs/dbraw/zinc/28/12/79/222281279.db2.gz VZWGIVUFFXSOAY-MRRJBJDNSA-N 2 1 308.470 1.592 20 30 DDEDMP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262451230 222281281 /nfs/dbraw/zinc/28/12/81/222281281.db2.gz VZWGIVUFFXSOAY-MRRJBJDNSA-N 2 1 308.470 1.592 20 30 DDEDMP [NH2+]=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@@H]1CCOc2ccccc21 ZINC000262479946 222283594 /nfs/dbraw/zinc/28/35/94/222283594.db2.gz RAFIZFTVJNZHAT-TZMCWYRMSA-N 2 1 311.389 1.626 20 30 DDEDMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000264063366 222311840 /nfs/dbraw/zinc/31/18/40/222311840.db2.gz ABMMHRSXTODGSQ-CQSZACIVSA-N 2 1 320.437 1.102 20 30 DDEDMP C=CCC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000368570548 418721830 /nfs/dbraw/zinc/72/18/30/418721830.db2.gz WCVSZTUFLLFKQT-ROUUACIJSA-N 2 1 307.482 1.727 20 30 DDEDMP CN1CCN(C2CC[NH+](Cc3ccc(C#N)s3)CC2)C(=O)C1 ZINC000367881253 418651826 /nfs/dbraw/zinc/65/18/26/418651826.db2.gz ZCJIASJOFGNFBG-UHFFFAOYSA-N 2 1 318.446 1.358 20 30 DDEDMP CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424186746 228242696 /nfs/dbraw/zinc/24/26/96/228242696.db2.gz HIRVZHPYTNXBFZ-DLBZAZTESA-N 2 1 314.433 1.740 20 30 DDEDMP C=CC[N@H+](C)CCN(CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411635268 419368117 /nfs/dbraw/zinc/36/81/17/419368117.db2.gz BLCBDNNPCCULKR-UHFFFAOYSA-N 2 1 324.513 1.415 20 30 DDEDMP C=CC[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000628405491 422168144 /nfs/dbraw/zinc/16/81/44/422168144.db2.gz NMBGRPUCXMROIX-OAHLLOKOSA-N 2 1 301.438 1.626 20 30 DDEDMP C=CC[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000628405491 422168151 /nfs/dbraw/zinc/16/81/51/422168151.db2.gz NMBGRPUCXMROIX-OAHLLOKOSA-N 2 1 301.438 1.626 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1ncc2c(c1C#N)CCC2 ZINC000596425582 422376643 /nfs/dbraw/zinc/37/66/43/422376643.db2.gz RFHYSZRMSOONAB-UHFFFAOYSA-N 2 1 301.438 1.737 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ncc2c(c1C#N)CCC2 ZINC000596425582 422376646 /nfs/dbraw/zinc/37/66/46/422376646.db2.gz RFHYSZRMSOONAB-UHFFFAOYSA-N 2 1 301.438 1.737 20 30 DDEDMP C=CC[C@]1(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662671321 424729748 /nfs/dbraw/zinc/72/97/48/424729748.db2.gz NEFLGMJEWNNYEH-RLFYNMQTSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CC[C@]1(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CCC[NH2+]1 ZINC000662758924 424758792 /nfs/dbraw/zinc/75/87/92/424758792.db2.gz VISKNUPHWYPSMI-FUHWJXTLSA-N 2 1 322.497 1.075 20 30 DDEDMP C[NH+]1CCN(CC#CCN2CC[N@H+](C)CC2(C)C)C(C)(C)C1 ZINC000341914571 290038593 /nfs/dbraw/zinc/03/85/93/290038593.db2.gz VOUQKPDHGVYADP-UHFFFAOYSA-N 2 1 306.498 1.042 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC#N ZINC000249365027 341396699 /nfs/dbraw/zinc/39/66/99/341396699.db2.gz OGDYWPUDTMTJCA-HWWDLCQESA-N 2 1 314.433 1.372 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC#N ZINC000249365027 341396700 /nfs/dbraw/zinc/39/67/00/341396700.db2.gz OGDYWPUDTMTJCA-HWWDLCQESA-N 2 1 314.433 1.372 20 30 DDEDMP CC[NH+](CC#CC[N@H+](CC)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000671240146 484977157 /nfs/dbraw/zinc/97/71/57/484977157.db2.gz MYEGFPVJOBPWGW-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP CC[NH+](CC#CC[N@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000671240146 484977163 /nfs/dbraw/zinc/97/71/63/484977163.db2.gz MYEGFPVJOBPWGW-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP CC[NH+](CC#CC[N@@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000671240146 484977169 /nfs/dbraw/zinc/97/71/69/484977169.db2.gz MYEGFPVJOBPWGW-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000491727096 526827656 /nfs/dbraw/zinc/82/76/56/526827656.db2.gz KSUPXNCCIVJDFJ-UONOGXRCSA-N 2 1 316.392 1.898 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C(F)(F)C(=O)OCC)C1 ZINC000491727096 526827660 /nfs/dbraw/zinc/82/76/60/526827660.db2.gz KSUPXNCCIVJDFJ-UONOGXRCSA-N 2 1 316.392 1.898 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000491040825 526926659 /nfs/dbraw/zinc/92/66/59/526926659.db2.gz WLLACGTVQAEPBD-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000971832949 695105748 /nfs/dbraw/zinc/10/57/48/695105748.db2.gz NSVAWYZBJTXFFM-CYBMUJFWSA-N 2 1 306.410 1.459 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000971832949 695105753 /nfs/dbraw/zinc/10/57/53/695105753.db2.gz NSVAWYZBJTXFFM-CYBMUJFWSA-N 2 1 306.410 1.459 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409509 695242296 /nfs/dbraw/zinc/24/22/96/695242296.db2.gz PJTFJXRSTAVEJY-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000972409509 695242299 /nfs/dbraw/zinc/24/22/99/695242299.db2.gz PJTFJXRSTAVEJY-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000746212020 700011096 /nfs/dbraw/zinc/01/10/96/700011096.db2.gz JBSYOBZDLQTSCK-JQHSSLGASA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000746212020 700011099 /nfs/dbraw/zinc/01/10/99/700011099.db2.gz JBSYOBZDLQTSCK-JQHSSLGASA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000746212020 700011102 /nfs/dbraw/zinc/01/11/02/700011102.db2.gz JBSYOBZDLQTSCK-JQHSSLGASA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000746212020 700011105 /nfs/dbraw/zinc/01/11/05/700011105.db2.gz JBSYOBZDLQTSCK-JQHSSLGASA-N 2 1 315.461 1.559 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300400 696109313 /nfs/dbraw/zinc/10/93/13/696109313.db2.gz FHEYTKWHMSZFOK-HNNXBMFYSA-N 2 1 319.453 1.071 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1 ZINC000978297908 696360208 /nfs/dbraw/zinc/36/02/08/696360208.db2.gz YCUDJIVDEJHEHH-RYPNDVFKSA-N 2 1 300.406 1.383 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC000978297908 696360210 /nfs/dbraw/zinc/36/02/10/696360210.db2.gz YCUDJIVDEJHEHH-RYPNDVFKSA-N 2 1 300.406 1.383 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC000978297908 696360213 /nfs/dbraw/zinc/36/02/13/696360213.db2.gz YCUDJIVDEJHEHH-RYPNDVFKSA-N 2 1 300.406 1.383 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978620897 696425691 /nfs/dbraw/zinc/42/56/91/696425691.db2.gz ZJDOANYDOFOTTF-XLAORIBOSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978620897 696425693 /nfs/dbraw/zinc/42/56/93/696425693.db2.gz ZJDOANYDOFOTTF-XLAORIBOSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978620897 696425696 /nfs/dbraw/zinc/42/56/96/696425696.db2.gz ZJDOANYDOFOTTF-XLAORIBOSA-N 2 1 317.477 1.426 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980181917 696702391 /nfs/dbraw/zinc/70/23/91/696702391.db2.gz BIIBZEANJMGAAC-KSZLIROESA-N 2 1 317.477 1.568 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981681537 696872622 /nfs/dbraw/zinc/87/26/22/696872622.db2.gz GIYCUUWORBWBRV-KRWDZBQOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833532 696936479 /nfs/dbraw/zinc/93/64/79/696936479.db2.gz FTEOUIDUWHEFCA-MRXNPFEDSA-N 2 1 314.433 1.312 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981833532 696936481 /nfs/dbraw/zinc/93/64/81/696936481.db2.gz FTEOUIDUWHEFCA-MRXNPFEDSA-N 2 1 314.433 1.312 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981838397 696938891 /nfs/dbraw/zinc/93/88/91/696938891.db2.gz UEFMZRUVFQABMR-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981838397 696938894 /nfs/dbraw/zinc/93/88/94/696938894.db2.gz UEFMZRUVFQABMR-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982069738 697021355 /nfs/dbraw/zinc/02/13/55/697021355.db2.gz FWTIJPIEDQDYNY-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC000982069738 697021357 /nfs/dbraw/zinc/02/13/57/697021357.db2.gz FWTIJPIEDQDYNY-UHFFFAOYSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CCC[NH+]3CCC4)C[C@@]2(C)C1 ZINC000982343975 697106435 /nfs/dbraw/zinc/10/64/35/697106435.db2.gz ONKITCZCZIVWTQ-HDICACEKSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000985751477 697568092 /nfs/dbraw/zinc/56/80/92/697568092.db2.gz MKBNYZIWRHZRJN-RDJZCZTQSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC=C)CC2)CC1 ZINC000985805410 697577297 /nfs/dbraw/zinc/57/72/97/697577297.db2.gz XAHPJJGEGGITFW-UHFFFAOYSA-N 2 1 303.450 1.440 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C)cc1 ZINC000303691403 698605560 /nfs/dbraw/zinc/60/55/60/698605560.db2.gz AOAAXJBRQGPYMJ-HNNXBMFYSA-N 2 1 304.438 1.762 20 30 DDEDMP CSc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000303863616 698607628 /nfs/dbraw/zinc/60/76/28/698607628.db2.gz AHMCINCFXXONCB-UHFFFAOYSA-N 2 1 322.478 1.535 20 30 DDEDMP CCC1CCC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303883484 698608981 /nfs/dbraw/zinc/60/89/81/698608981.db2.gz MDMXDMJAPMRSQE-UHFFFAOYSA-N 2 1 310.486 1.829 20 30 DDEDMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N[C@H]2CCOc3ccccc32)C1 ZINC000304765247 698624904 /nfs/dbraw/zinc/62/49/04/698624904.db2.gz YZJCFQRAVKEPJJ-HIFRSBDPSA-N 2 1 302.422 1.756 20 30 DDEDMP C#CCNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000763434329 700937873 /nfs/dbraw/zinc/93/78/73/700937873.db2.gz VYQKQCTVKRWVGW-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000858493726 704718401 /nfs/dbraw/zinc/71/84/01/704718401.db2.gz FKRNEJRCNDSBGN-QGZVFWFLSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858493726 704718403 /nfs/dbraw/zinc/71/84/03/704718403.db2.gz FKRNEJRCNDSBGN-QGZVFWFLSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858493726 704718405 /nfs/dbraw/zinc/71/84/05/704718405.db2.gz FKRNEJRCNDSBGN-QGZVFWFLSA-N 2 1 320.481 1.648 20 30 DDEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884201022 708186665 /nfs/dbraw/zinc/18/66/65/708186665.db2.gz ORSAQHZBTXIOOI-MYCCOQIQSA-N 2 1 318.465 1.362 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884210767 708192147 /nfs/dbraw/zinc/19/21/47/708192147.db2.gz IZELOCOOCDBTLS-KRIMKBQASA-N 2 1 304.438 1.116 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000888167888 709231475 /nfs/dbraw/zinc/23/14/75/709231475.db2.gz NKNHLTNBNXAWQA-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC000888167888 709231478 /nfs/dbraw/zinc/23/14/78/709231478.db2.gz NKNHLTNBNXAWQA-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000890363470 709836419 /nfs/dbraw/zinc/83/64/19/709836419.db2.gz PGEXVSZXCDNJML-MRXNPFEDSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000890363470 709836423 /nfs/dbraw/zinc/83/64/23/709836423.db2.gz PGEXVSZXCDNJML-MRXNPFEDSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000890368912 709842750 /nfs/dbraw/zinc/84/27/50/709842750.db2.gz ODDBIYUQQVLHLF-PMPSAXMXSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000890368912 709842755 /nfs/dbraw/zinc/84/27/55/709842755.db2.gz ODDBIYUQQVLHLF-PMPSAXMXSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000890368912 709842759 /nfs/dbraw/zinc/84/27/59/709842759.db2.gz ODDBIYUQQVLHLF-PMPSAXMXSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000890368912 709842764 /nfs/dbraw/zinc/84/27/64/709842764.db2.gz ODDBIYUQQVLHLF-PMPSAXMXSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000890373270 709845081 /nfs/dbraw/zinc/84/50/81/709845081.db2.gz SFBRWFDVXIGIFP-MRXNPFEDSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000890373270 709845086 /nfs/dbraw/zinc/84/50/86/709845086.db2.gz SFBRWFDVXIGIFP-MRXNPFEDSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000894863863 711301355 /nfs/dbraw/zinc/30/13/55/711301355.db2.gz YJSZGFKAFRPZRB-QGZVFWFLSA-N 2 1 315.461 1.956 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000894863863 711301357 /nfs/dbraw/zinc/30/13/57/711301357.db2.gz YJSZGFKAFRPZRB-QGZVFWFLSA-N 2 1 315.461 1.956 20 30 DDEDMP CCCC[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC(C)(C)C ZINC000912496934 711352973 /nfs/dbraw/zinc/35/29/73/711352973.db2.gz IBLJSWCEOSGGLZ-HUUCEWRRSA-N 2 1 310.486 1.983 20 30 DDEDMP C=CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000917071508 713480828 /nfs/dbraw/zinc/48/08/28/713480828.db2.gz TYJCCSICQADWPO-MRXNPFEDSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000917071508 713480829 /nfs/dbraw/zinc/48/08/29/713480829.db2.gz TYJCCSICQADWPO-MRXNPFEDSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000917071508 713480830 /nfs/dbraw/zinc/48/08/30/713480830.db2.gz TYJCCSICQADWPO-MRXNPFEDSA-N 2 1 311.470 1.356 20 30 DDEDMP CN1CCN(C(=O)C[N@@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000931488082 714109509 /nfs/dbraw/zinc/10/95/09/714109509.db2.gz NQFTVIJFRCJWFV-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC[C@H](C)F)CC2)CC1 ZINC000957776287 716037052 /nfs/dbraw/zinc/03/70/52/716037052.db2.gz COBRAQMCBFTJEP-HNNXBMFYSA-N 2 1 309.429 1.224 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960268711 716474353 /nfs/dbraw/zinc/47/43/53/716474353.db2.gz QCXVVINHYWHYSA-NCOADZHNSA-N 2 1 303.450 1.034 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000960268711 716474355 /nfs/dbraw/zinc/47/43/55/716474355.db2.gz QCXVVINHYWHYSA-NCOADZHNSA-N 2 1 303.450 1.034 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000960268711 716474358 /nfs/dbraw/zinc/47/43/58/716474358.db2.gz QCXVVINHYWHYSA-NCOADZHNSA-N 2 1 303.450 1.034 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000960304514 716486188 /nfs/dbraw/zinc/48/61/88/716486188.db2.gz PKZGIBSZHLMFCL-POZUXBRTSA-N 2 1 313.445 1.886 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940647207 716895254 /nfs/dbraw/zinc/89/52/54/716895254.db2.gz NPQMWVZKSFUMAZ-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940647207 716895260 /nfs/dbraw/zinc/89/52/60/716895260.db2.gz NPQMWVZKSFUMAZ-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647207 716895264 /nfs/dbraw/zinc/89/52/64/716895264.db2.gz NPQMWVZKSFUMAZ-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647207 716895269 /nfs/dbraw/zinc/89/52/69/716895269.db2.gz NPQMWVZKSFUMAZ-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842440 716986014 /nfs/dbraw/zinc/98/60/14/716986014.db2.gz GUZBVRFGZNBKNT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842440 716986019 /nfs/dbraw/zinc/98/60/19/716986019.db2.gz GUZBVRFGZNBKNT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842440 716986024 /nfs/dbraw/zinc/98/60/24/716986024.db2.gz GUZBVRFGZNBKNT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223609 717133510 /nfs/dbraw/zinc/13/35/10/717133510.db2.gz HZZPLPZFPXUVMF-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223609 717133511 /nfs/dbraw/zinc/13/35/11/717133511.db2.gz HZZPLPZFPXUVMF-HNNXBMFYSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000964372913 717233735 /nfs/dbraw/zinc/23/37/35/717233735.db2.gz YGCUZFLHZPHYSN-UHFFFAOYSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000961958652 717260917 /nfs/dbraw/zinc/26/09/17/717260917.db2.gz NHJCQTRSKXKARC-NCOADZHNSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000964671930 717371746 /nfs/dbraw/zinc/37/17/46/717371746.db2.gz ZYFZBMHISHOXBW-RSOWUBFDSA-N 2 1 305.466 1.920 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCC(C)C)C[C@H]32)CC1 ZINC000962781752 717586695 /nfs/dbraw/zinc/58/66/95/717586695.db2.gz USPYQFZTMZRHTB-PIIMJCKOSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC000942305616 717608093 /nfs/dbraw/zinc/60/80/93/717608093.db2.gz UNIFTWRKCOCBRK-WMLDXEAASA-N 2 1 310.401 1.798 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000965912323 717811397 /nfs/dbraw/zinc/81/13/97/717811397.db2.gz LSHZNTDQHGUATL-BHTBLZRRSA-N 2 1 311.857 1.708 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000963598231 717840055 /nfs/dbraw/zinc/84/00/55/717840055.db2.gz HVLVWTSZEITTGX-UHFFFAOYSA-N 2 1 320.437 1.895 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943290460 718069701 /nfs/dbraw/zinc/06/97/01/718069701.db2.gz YASAAEJVIFNFLD-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000943290460 718069704 /nfs/dbraw/zinc/06/97/04/718069704.db2.gz YASAAEJVIFNFLD-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964563 718370769 /nfs/dbraw/zinc/37/07/69/718370769.db2.gz JQAADZDTUHJNPA-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC000944964563 718370770 /nfs/dbraw/zinc/37/07/70/718370770.db2.gz JQAADZDTUHJNPA-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945089823 718391920 /nfs/dbraw/zinc/39/19/20/718391920.db2.gz IEINQDRODJKIQC-QAPCUYQASA-N 2 1 313.445 1.822 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623095 718856470 /nfs/dbraw/zinc/85/64/70/718856470.db2.gz BEOUYYXFDSNQOG-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623095 718856472 /nfs/dbraw/zinc/85/64/72/718856472.db2.gz BEOUYYXFDSNQOG-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623095 718856477 /nfs/dbraw/zinc/85/64/77/718856477.db2.gz BEOUYYXFDSNQOG-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000947852012 719290207 /nfs/dbraw/zinc/29/02/07/719290207.db2.gz DNKZSLIQGYEZNS-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948270302 719425764 /nfs/dbraw/zinc/42/57/64/719425764.db2.gz YENJQHOPBPUALM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948270302 719425766 /nfs/dbraw/zinc/42/57/66/719425766.db2.gz YENJQHOPBPUALM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948270302 719425770 /nfs/dbraw/zinc/42/57/70/719425770.db2.gz YENJQHOPBPUALM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948270302 719425772 /nfs/dbraw/zinc/42/57/72/719425772.db2.gz YENJQHOPBPUALM-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948378035 719474410 /nfs/dbraw/zinc/47/44/10/719474410.db2.gz PLJLWZXCESJXFX-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498248 719624726 /nfs/dbraw/zinc/62/47/26/719624726.db2.gz YPORXRSGNHWNOP-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498248 719624730 /nfs/dbraw/zinc/62/47/30/719624730.db2.gz YPORXRSGNHWNOP-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#CC)CC[C@@H]2C)CC1 ZINC000968681208 719733787 /nfs/dbraw/zinc/73/37/87/719733787.db2.gz HUUHQDXHZGKQAA-FUHWJXTLSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000968855920 719825899 /nfs/dbraw/zinc/82/58/99/719825899.db2.gz BZSJPZPJVMDVEZ-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855920 719825903 /nfs/dbraw/zinc/82/59/03/719825903.db2.gz BZSJPZPJVMDVEZ-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000968855920 719825909 /nfs/dbraw/zinc/82/59/09/719825909.db2.gz BZSJPZPJVMDVEZ-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC001041675298 733083766 /nfs/dbraw/zinc/08/37/66/733083766.db2.gz ORYPRCRSPAMDAK-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC001041675298 733083770 /nfs/dbraw/zinc/08/37/70/733083770.db2.gz ORYPRCRSPAMDAK-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC001041675298 733083773 /nfs/dbraw/zinc/08/37/73/733083773.db2.gz ORYPRCRSPAMDAK-SJLPKXTDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346981 733599700 /nfs/dbraw/zinc/59/97/00/733599700.db2.gz OHDIMZAMCUMGGJ-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346981 733599703 /nfs/dbraw/zinc/59/97/03/733599703.db2.gz OHDIMZAMCUMGGJ-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001104376776 734437215 /nfs/dbraw/zinc/43/72/15/734437215.db2.gz STPPRVJFSWXBJR-KZNAEPCWSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001023427945 735226708 /nfs/dbraw/zinc/22/67/08/735226708.db2.gz XFEOHGPEWLFZIJ-RBSFLKMASA-N 2 1 300.406 1.365 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001023427945 735226713 /nfs/dbraw/zinc/22/67/13/735226713.db2.gz XFEOHGPEWLFZIJ-RBSFLKMASA-N 2 1 300.406 1.365 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001024557457 735933637 /nfs/dbraw/zinc/93/36/37/735933637.db2.gz UJOPKOPPODYXCS-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001025818359 736869219 /nfs/dbraw/zinc/86/92/19/736869219.db2.gz AEDMYYIREBGQKX-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025818359 736869223 /nfs/dbraw/zinc/86/92/23/736869223.db2.gz AEDMYYIREBGQKX-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818359 736869228 /nfs/dbraw/zinc/86/92/28/736869228.db2.gz AEDMYYIREBGQKX-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001028045910 738962681 /nfs/dbraw/zinc/96/26/81/738962681.db2.gz SVIAANVEZMKXSJ-QGZVFWFLSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027410397 738271326 /nfs/dbraw/zinc/27/13/26/738271326.db2.gz CISYEHRXUGUHKR-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001027979644 738901290 /nfs/dbraw/zinc/90/12/90/738901290.db2.gz GGMOUVOXVKLBQZ-CABCVRRESA-N 2 1 314.433 1.427 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001028332799 739364979 /nfs/dbraw/zinc/36/49/79/739364979.db2.gz DMBUGWHVYGAQCT-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001028754659 739996185 /nfs/dbraw/zinc/99/61/85/739996185.db2.gz JBNPJFGYPOEJNB-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028754659 739996188 /nfs/dbraw/zinc/99/61/88/739996188.db2.gz JBNPJFGYPOEJNB-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001028754659 739996191 /nfs/dbraw/zinc/99/61/91/739996191.db2.gz JBNPJFGYPOEJNB-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001028860110 740119287 /nfs/dbraw/zinc/11/92/87/740119287.db2.gz PUKLTAGDIGSUGI-HNNXBMFYSA-N 2 1 319.453 1.073 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001028996172 740241880 /nfs/dbraw/zinc/24/18/80/740241880.db2.gz BHMOUINROSWUNK-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001028996172 740241881 /nfs/dbraw/zinc/24/18/81/740241881.db2.gz BHMOUINROSWUNK-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001028996172 740241886 /nfs/dbraw/zinc/24/18/86/740241886.db2.gz BHMOUINROSWUNK-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996172 740241887 /nfs/dbraw/zinc/24/18/87/740241887.db2.gz BHMOUINROSWUNK-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001028996172 740241890 /nfs/dbraw/zinc/24/18/90/740241890.db2.gz BHMOUINROSWUNK-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1CC ZINC001037925998 751566973 /nfs/dbraw/zinc/56/69/73/751566973.db2.gz LIBMZDGTQJUCIA-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998189297 751580295 /nfs/dbraw/zinc/58/02/95/751580295.db2.gz NBMAEQICUJXBRQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998189297 751580298 /nfs/dbraw/zinc/58/02/98/751580298.db2.gz NBMAEQICUJXBRQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998189297 751580302 /nfs/dbraw/zinc/58/03/02/751580302.db2.gz NBMAEQICUJXBRQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967887 740894869 /nfs/dbraw/zinc/89/48/69/740894869.db2.gz QBUGQNWYYBRKHJ-FGTMMUONSA-N 2 1 315.461 1.132 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083648 741009956 /nfs/dbraw/zinc/00/99/56/741009956.db2.gz CCSRDDXOJOQCBO-ZBFHGGJFSA-N 2 1 317.433 1.921 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@@H]2C1 ZINC001088083648 741009958 /nfs/dbraw/zinc/00/99/58/741009958.db2.gz CCSRDDXOJOQCBO-ZBFHGGJFSA-N 2 1 317.433 1.921 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106466 741034386 /nfs/dbraw/zinc/03/43/86/741034386.db2.gz CCGYNIOKJJZODT-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106466 741034389 /nfs/dbraw/zinc/03/43/89/741034389.db2.gz CCGYNIOKJJZODT-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001088106466 741034393 /nfs/dbraw/zinc/03/43/93/741034393.db2.gz CCGYNIOKJJZODT-BBWFWOEESA-N 2 1 303.450 1.132 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199692 741103520 /nfs/dbraw/zinc/10/35/20/741103520.db2.gz YZFOCQXJHYFPIY-KFWWJZLASA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199692 741103521 /nfs/dbraw/zinc/10/35/21/741103521.db2.gz YZFOCQXJHYFPIY-KFWWJZLASA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199692 741103522 /nfs/dbraw/zinc/10/35/22/741103522.db2.gz YZFOCQXJHYFPIY-KFWWJZLASA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199692 741103523 /nfs/dbraw/zinc/10/35/23/741103523.db2.gz YZFOCQXJHYFPIY-KFWWJZLASA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201306 741103729 /nfs/dbraw/zinc/10/37/29/741103729.db2.gz VOZVZAHAAAZKEG-CABCVRRESA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201306 741103732 /nfs/dbraw/zinc/10/37/32/741103732.db2.gz VOZVZAHAAAZKEG-CABCVRRESA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CC ZINC001037980578 751622640 /nfs/dbraw/zinc/62/26/40/751622640.db2.gz YWZKRZPYNQUFLD-HZPDHXFCSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001088324860 741386960 /nfs/dbraw/zinc/38/69/60/741386960.db2.gz BOTAALQWLDCOEA-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040264327 742286509 /nfs/dbraw/zinc/28/65/09/742286509.db2.gz NQESWLBHODJIEA-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264327 742286512 /nfs/dbraw/zinc/28/65/12/742286512.db2.gz NQESWLBHODJIEA-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040264327 742286516 /nfs/dbraw/zinc/28/65/16/742286516.db2.gz NQESWLBHODJIEA-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@H+]1C)CC2 ZINC001035725524 751816800 /nfs/dbraw/zinc/81/68/00/751816800.db2.gz XCONPZCVTOYCQI-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001183390823 743830197 /nfs/dbraw/zinc/83/01/97/743830197.db2.gz KGPYBTLWDCOICB-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001030328342 744051905 /nfs/dbraw/zinc/05/19/05/744051905.db2.gz FITPZAKIXOSPFO-SJORKVTESA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184810310 744106045 /nfs/dbraw/zinc/10/60/45/744106045.db2.gz NFCAZCAHMVZWJX-ZBFHGGJFSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168614 744169649 /nfs/dbraw/zinc/16/96/49/744169649.db2.gz HTYQUVXVYRAJFN-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185304010 744201143 /nfs/dbraw/zinc/20/11/43/744201143.db2.gz AJEVLADQGKUMSR-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCN1CC2(C1)CCN(C(=O)C[C@H](C)n1ccnc1)CC2 ZINC001035806897 751910001 /nfs/dbraw/zinc/91/00/01/751910001.db2.gz DFPRPAJFHUUCFK-HNNXBMFYSA-N 2 1 300.406 1.392 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355523 744383273 /nfs/dbraw/zinc/38/32/73/744383273.db2.gz DLMGKSRHDKXKIM-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035835253 751931463 /nfs/dbraw/zinc/93/14/63/751931463.db2.gz UKFHVYLDDIAUNI-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)c3c[nH]cn3)C[C@H]21 ZINC000992849055 745246298 /nfs/dbraw/zinc/24/62/98/745246298.db2.gz DATDALDNTJKDKG-RBSFLKMASA-N 2 1 314.433 1.537 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719647 745356952 /nfs/dbraw/zinc/35/69/52/745356952.db2.gz NPCHNZORRYEOPS-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719647 745356954 /nfs/dbraw/zinc/35/69/54/745356954.db2.gz NPCHNZORRYEOPS-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191544028 745537946 /nfs/dbraw/zinc/53/79/46/745537946.db2.gz WKWITAAOQXWUBV-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193489646 746118448 /nfs/dbraw/zinc/11/84/48/746118448.db2.gz YWDGYITZWFKSES-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001194102074 746288485 /nfs/dbraw/zinc/28/84/85/746288485.db2.gz AWKRHVKCVORPEQ-BZUAXINKSA-N 2 1 313.486 1.458 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993704078 746296542 /nfs/dbraw/zinc/29/65/42/746296542.db2.gz OFPGYDVIIKGJLT-HOCLYGCPSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@@H]1C ZINC000993704078 746296544 /nfs/dbraw/zinc/29/65/44/746296544.db2.gz OFPGYDVIIKGJLT-HOCLYGCPSA-N 2 1 317.433 1.947 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001196171638 746792435 /nfs/dbraw/zinc/79/24/35/746792435.db2.gz OFTSSVYHXUYVCX-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001196171638 746792438 /nfs/dbraw/zinc/79/24/38/746792438.db2.gz OFTSSVYHXUYVCX-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001196171638 746792440 /nfs/dbraw/zinc/79/24/40/746792440.db2.gz OFTSSVYHXUYVCX-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001212510102 747123848 /nfs/dbraw/zinc/12/38/48/747123848.db2.gz VJPFLOZFUNLCRQ-HZPDHXFCSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672784 747574176 /nfs/dbraw/zinc/57/41/76/747574176.db2.gz SGQRRWXEOSEDHI-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672784 747574181 /nfs/dbraw/zinc/57/41/81/747574181.db2.gz SGQRRWXEOSEDHI-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089838182 748032376 /nfs/dbraw/zinc/03/23/76/748032376.db2.gz JJFFAZCFMCKCPV-NXOAAHMSSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cn1c[nH+]cc1C ZINC001089838182 748032381 /nfs/dbraw/zinc/03/23/81/748032381.db2.gz JJFFAZCFMCKCPV-NXOAAHMSSA-N 2 1 314.433 1.546 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479920 748255032 /nfs/dbraw/zinc/25/50/32/748255032.db2.gz TVVMKACRSBRIQB-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634922 748298015 /nfs/dbraw/zinc/29/80/15/748298015.db2.gz NTXDXTFFBHRNQE-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CCCO1 ZINC001200688387 748312025 /nfs/dbraw/zinc/31/20/25/748312025.db2.gz OMIHTOKMJOLCGY-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001201043684 748405889 /nfs/dbraw/zinc/40/58/89/748405889.db2.gz GUFRDCMBEWMBBC-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004488263 748471282 /nfs/dbraw/zinc/47/12/82/748471282.db2.gz HHFJUJGVLDTAIK-QGZVFWFLSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001004488263 748471285 /nfs/dbraw/zinc/47/12/85/748471285.db2.gz HHFJUJGVLDTAIK-QGZVFWFLSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617974 748594082 /nfs/dbraw/zinc/59/40/82/748594082.db2.gz VETAHFXOTWPOTP-KRWDZBQOSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001004617974 748594089 /nfs/dbraw/zinc/59/40/89/748594089.db2.gz VETAHFXOTWPOTP-KRWDZBQOSA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001036219549 752296831 /nfs/dbraw/zinc/29/68/31/752296831.db2.gz QVUZGOYKUFQFLZ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001110719370 748936955 /nfs/dbraw/zinc/93/69/55/748936955.db2.gz QHLFNDSEUUDDAQ-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001110719370 748936958 /nfs/dbraw/zinc/93/69/58/748936958.db2.gz QHLFNDSEUUDDAQ-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110719370 748936962 /nfs/dbraw/zinc/93/69/62/748936962.db2.gz QHLFNDSEUUDDAQ-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001110719370 748936970 /nfs/dbraw/zinc/93/69/70/748936970.db2.gz QHLFNDSEUUDDAQ-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1(C)C ZINC000995827883 749250421 /nfs/dbraw/zinc/25/04/21/749250421.db2.gz XFFYERMBWSPVDC-CABCVRRESA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366142 749254347 /nfs/dbraw/zinc/25/43/47/749254347.db2.gz NSPFYYZPQNHTQX-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366142 749254350 /nfs/dbraw/zinc/25/43/50/749254350.db2.gz NSPFYYZPQNHTQX-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033357579 749263577 /nfs/dbraw/zinc/26/35/77/749263577.db2.gz IGAWXBUTAACHIT-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033357579 749263581 /nfs/dbraw/zinc/26/35/81/749263581.db2.gz IGAWXBUTAACHIT-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357579 749263587 /nfs/dbraw/zinc/26/35/87/749263587.db2.gz IGAWXBUTAACHIT-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033357579 749263590 /nfs/dbraw/zinc/26/35/90/749263590.db2.gz IGAWXBUTAACHIT-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033506263 749427975 /nfs/dbraw/zinc/42/79/75/749427975.db2.gz XVZPHBIOFOQZIK-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1(C)C ZINC000996312146 749504031 /nfs/dbraw/zinc/50/40/31/749504031.db2.gz WWSJNIWJVJGNNW-GDBMZVCRSA-N 2 1 314.433 1.214 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039374756 761975990 /nfs/dbraw/zinc/97/59/90/761975990.db2.gz JGYMBFDBAHLESW-FGTMMUONSA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039386168 761986435 /nfs/dbraw/zinc/98/64/35/761986435.db2.gz AQAXRLSTLOXMDC-IKGGRYGDSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039386168 761986441 /nfs/dbraw/zinc/98/64/41/761986441.db2.gz AQAXRLSTLOXMDC-IKGGRYGDSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996676000 749893279 /nfs/dbraw/zinc/89/32/79/749893279.db2.gz KPMYKTNITAPIRD-IAGOWNOFSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CCN1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001033874752 750008409 /nfs/dbraw/zinc/00/84/09/750008409.db2.gz HQNILYOFKSYZEP-HUUCEWRRSA-N 2 1 300.406 1.002 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034535006 750536007 /nfs/dbraw/zinc/53/60/07/750536007.db2.gz QTGJMXGVYZDFCI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535006 750536008 /nfs/dbraw/zinc/53/60/08/750536008.db2.gz QTGJMXGVYZDFCI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535006 750536009 /nfs/dbraw/zinc/53/60/09/750536009.db2.gz QTGJMXGVYZDFCI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535006 750536010 /nfs/dbraw/zinc/53/60/10/750536010.db2.gz QTGJMXGVYZDFCI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997148691 750578003 /nfs/dbraw/zinc/57/80/03/750578003.db2.gz IESRGYYEWAXEFF-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1 ZINC000997148691 750578007 /nfs/dbraw/zinc/57/80/07/750578007.db2.gz IESRGYYEWAXEFF-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001034653582 750632496 /nfs/dbraw/zinc/63/24/96/750632496.db2.gz NMPMUFVGKGKORE-YHUYYLMFSA-N 2 1 307.438 1.053 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089907424 750819343 /nfs/dbraw/zinc/81/93/43/750819343.db2.gz MAMBLGRHZCLWFF-MHORFTMASA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001032444561 750857968 /nfs/dbraw/zinc/85/79/68/750857968.db2.gz CYAJVWBUUJBHPN-SOUVJXGZSA-N 2 1 300.406 1.622 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001032444561 750857977 /nfs/dbraw/zinc/85/79/77/750857977.db2.gz CYAJVWBUUJBHPN-SOUVJXGZSA-N 2 1 300.406 1.622 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108159800 750889648 /nfs/dbraw/zinc/88/96/48/750889648.db2.gz AIUJXCISNRFBDP-BQFCYCMXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108159800 750889658 /nfs/dbraw/zinc/88/96/58/750889658.db2.gz AIUJXCISNRFBDP-BQFCYCMXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108159800 750889667 /nfs/dbraw/zinc/88/96/67/750889667.db2.gz AIUJXCISNRFBDP-BQFCYCMXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)CC2(CCOCC2)C1 ZINC001099596540 750922147 /nfs/dbraw/zinc/92/21/47/750922147.db2.gz GCHSIBGWCXPXSR-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)CC2(CCOCC2)C1 ZINC001099596540 750922148 /nfs/dbraw/zinc/92/21/48/750922148.db2.gz GCHSIBGWCXPXSR-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000681919 762084596 /nfs/dbraw/zinc/08/45/96/762084596.db2.gz FYZVCFHDMNBACV-SJORKVTESA-N 2 1 301.434 1.242 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198796 751281295 /nfs/dbraw/zinc/28/12/95/751281295.db2.gz SNJWMIYYNHLBOT-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001035198796 751281299 /nfs/dbraw/zinc/28/12/99/751281299.db2.gz SNJWMIYYNHLBOT-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108421100 762115114 /nfs/dbraw/zinc/11/51/14/762115114.db2.gz HIFWDXBSCUYSKU-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421100 762115117 /nfs/dbraw/zinc/11/51/17/762115117.db2.gz HIFWDXBSCUYSKU-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421100 762115124 /nfs/dbraw/zinc/11/51/24/762115124.db2.gz HIFWDXBSCUYSKU-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007750490 752313525 /nfs/dbraw/zinc/31/35/25/752313525.db2.gz XYVFAJOQJVJHSV-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001007750490 752313533 /nfs/dbraw/zinc/31/35/33/752313533.db2.gz XYVFAJOQJVJHSV-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001007750490 752313542 /nfs/dbraw/zinc/31/35/42/752313542.db2.gz XYVFAJOQJVJHSV-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001007750490 752313550 /nfs/dbraw/zinc/31/35/50/752313550.db2.gz XYVFAJOQJVJHSV-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000999198886 752638501 /nfs/dbraw/zinc/63/85/01/752638501.db2.gz DGVIDICFFYAKEJ-HUUCEWRRSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008345181 752684154 /nfs/dbraw/zinc/68/41/54/752684154.db2.gz TYRVYGYBXAJEMX-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008345181 752684156 /nfs/dbraw/zinc/68/41/56/752684156.db2.gz TYRVYGYBXAJEMX-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001005872342 753286669 /nfs/dbraw/zinc/28/66/69/753286669.db2.gz WRMPLLWAPGWSLD-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993000 753354565 /nfs/dbraw/zinc/35/45/65/753354565.db2.gz GEBNNZDRUIEWEI-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001079848528 755620666 /nfs/dbraw/zinc/62/06/66/755620666.db2.gz AKTKBUCJUXEMRI-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001079848528 755620670 /nfs/dbraw/zinc/62/06/70/755620670.db2.gz AKTKBUCJUXEMRI-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001079848528 755620675 /nfs/dbraw/zinc/62/06/75/755620675.db2.gz AKTKBUCJUXEMRI-BRWVUGGUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080013351 755682513 /nfs/dbraw/zinc/68/25/13/755682513.db2.gz CUQXYLMQMQMFJV-CXAGYDPISA-N 2 1 310.401 1.716 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001000967202 762422799 /nfs/dbraw/zinc/42/27/99/762422799.db2.gz GJQZBBJBHFHFMJ-ZIAGYGMSSA-N 2 1 315.845 1.040 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001000967202 762422802 /nfs/dbraw/zinc/42/28/02/762422802.db2.gz GJQZBBJBHFHFMJ-ZIAGYGMSSA-N 2 1 315.845 1.040 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342088 755858618 /nfs/dbraw/zinc/85/86/18/755858618.db2.gz GVYJBUCZWUMKFL-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342088 755858623 /nfs/dbraw/zinc/85/86/23/755858623.db2.gz GVYJBUCZWUMKFL-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001040208759 762439069 /nfs/dbraw/zinc/43/90/69/762439069.db2.gz DKQBKHLVFZLERH-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040208759 762439075 /nfs/dbraw/zinc/43/90/75/762439075.db2.gz DKQBKHLVFZLERH-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001040208759 762439080 /nfs/dbraw/zinc/43/90/80/762439080.db2.gz DKQBKHLVFZLERH-YQVWRLOYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001080754284 756084811 /nfs/dbraw/zinc/08/48/11/756084811.db2.gz FYNGJTRRJJTJRM-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799566 756483769 /nfs/dbraw/zinc/48/37/69/756483769.db2.gz VKUATGMYBMYHDH-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799566 756483772 /nfs/dbraw/zinc/48/37/72/756483772.db2.gz VKUATGMYBMYHDH-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799566 756483776 /nfs/dbraw/zinc/48/37/76/756483776.db2.gz VKUATGMYBMYHDH-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799566 756483778 /nfs/dbraw/zinc/48/37/78/756483778.db2.gz VKUATGMYBMYHDH-BZUAXINKSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040393586 762522724 /nfs/dbraw/zinc/52/27/24/762522724.db2.gz CAIOGZQDECBIIL-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393586 762522726 /nfs/dbraw/zinc/52/27/26/762522726.db2.gz CAIOGZQDECBIIL-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040393586 762522729 /nfs/dbraw/zinc/52/27/29/762522729.db2.gz CAIOGZQDECBIIL-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC)CC2 ZINC001016669167 757251437 /nfs/dbraw/zinc/25/14/37/757251437.db2.gz DUSNDPWTMITQIV-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC)CC2 ZINC001016669167 757251444 /nfs/dbraw/zinc/25/14/44/757251444.db2.gz DUSNDPWTMITQIV-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001082385 762533319 /nfs/dbraw/zinc/53/33/19/762533319.db2.gz UAGZKLXYGLPWPX-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001082385 762533325 /nfs/dbraw/zinc/53/33/25/762533325.db2.gz UAGZKLXYGLPWPX-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001001082385 762533332 /nfs/dbraw/zinc/53/33/32/762533332.db2.gz UAGZKLXYGLPWPX-GOSISDBHSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016793796 757359389 /nfs/dbraw/zinc/35/93/89/757359389.db2.gz QHFUZMBRUOEPML-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947525 757994027 /nfs/dbraw/zinc/99/40/27/757994027.db2.gz RVSCLZUWIKSYCR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947525 757994034 /nfs/dbraw/zinc/99/40/34/757994034.db2.gz RVSCLZUWIKSYCR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947525 757994039 /nfs/dbraw/zinc/99/40/39/757994039.db2.gz RVSCLZUWIKSYCR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947525 757994043 /nfs/dbraw/zinc/99/40/43/757994043.db2.gz RVSCLZUWIKSYCR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084957880 758098690 /nfs/dbraw/zinc/09/86/90/758098690.db2.gz BWXPFMUQZXLYBJ-PVAVHDDUSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084972051 758113413 /nfs/dbraw/zinc/11/34/13/758113413.db2.gz MQMUKMSHJFVLQF-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084972051 758113417 /nfs/dbraw/zinc/11/34/17/758113417.db2.gz MQMUKMSHJFVLQF-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H]21 ZINC001084972051 758113425 /nfs/dbraw/zinc/11/34/25/758113425.db2.gz MQMUKMSHJFVLQF-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075190 758201871 /nfs/dbraw/zinc/20/18/71/758201871.db2.gz URPYDLXXVGDOKF-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075190 758201878 /nfs/dbraw/zinc/20/18/78/758201878.db2.gz URPYDLXXVGDOKF-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075190 758201887 /nfs/dbraw/zinc/20/18/87/758201887.db2.gz URPYDLXXVGDOKF-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085074989 758206153 /nfs/dbraw/zinc/20/61/53/758206153.db2.gz LCVVURDUBUMURV-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085074989 758206163 /nfs/dbraw/zinc/20/61/63/758206163.db2.gz LCVVURDUBUMURV-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085074989 758206174 /nfs/dbraw/zinc/20/61/74/758206174.db2.gz LCVVURDUBUMURV-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001019153920 759631202 /nfs/dbraw/zinc/63/12/02/759631202.db2.gz RCLOOOOCEWTGTH-KRWDZBQOSA-N 2 1 323.400 1.454 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046760123 767899487 /nfs/dbraw/zinc/89/94/87/767899487.db2.gz AHJWTVLQFIFYDG-LJQANCHMSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001054831621 760117700 /nfs/dbraw/zinc/11/77/00/760117700.db2.gz ZBVAUBPRFUYQET-IUODEOHRSA-N 2 1 306.410 1.362 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108216006 760417826 /nfs/dbraw/zinc/41/78/26/760417826.db2.gz PMFUOOLLADVOIU-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108216006 760417832 /nfs/dbraw/zinc/41/78/32/760417832.db2.gz PMFUOOLLADVOIU-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108216006 760417836 /nfs/dbraw/zinc/41/78/36/760417836.db2.gz PMFUOOLLADVOIU-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC=C)CC1 ZINC001085986371 760657012 /nfs/dbraw/zinc/65/70/12/760657012.db2.gz BNVIGNIOPHJZFO-KRWDZBQOSA-N 2 1 303.450 1.440 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001086107172 760992437 /nfs/dbraw/zinc/99/24/37/760992437.db2.gz MZNZJTLQWMKZPT-QLFBSQMISA-N 2 1 302.422 1.821 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086365795 761496646 /nfs/dbraw/zinc/49/66/46/761496646.db2.gz DEABNVMHHJIPQW-QAETUUGQSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC001000262621 761607327 /nfs/dbraw/zinc/60/73/27/761607327.db2.gz ZWTCLAVUJYMULA-RDJZCZTQSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CC(C)C2)CC1 ZINC001039041460 761681659 /nfs/dbraw/zinc/68/16/59/761681659.db2.gz CVXXOTOTYCMVJJ-HTWSVDAQSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC[C@H](C)F)CC1 ZINC001039041474 761682105 /nfs/dbraw/zinc/68/21/05/761682105.db2.gz DJIBHTCRQFKDQR-HOCLYGCPSA-N 2 1 309.429 1.270 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001039159658 761786583 /nfs/dbraw/zinc/78/65/83/761786583.db2.gz UDZZVUNDFVMFEQ-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173369 761797402 /nfs/dbraw/zinc/79/74/02/761797402.db2.gz VDVHKLMCDOEELV-QGZVFWFLSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849754 762704971 /nfs/dbraw/zinc/70/49/71/762704971.db2.gz WFBFOOUOIHILBZ-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040912222 762731091 /nfs/dbraw/zinc/73/10/91/762731091.db2.gz MFEHEFZEMDJCGV-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001405775 762833757 /nfs/dbraw/zinc/83/37/57/762833757.db2.gz UKZVEXAAQAEOQZ-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001001425402 762852756 /nfs/dbraw/zinc/85/27/56/762852756.db2.gz OHRFTRMLNOQGHM-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001001532486 762941071 /nfs/dbraw/zinc/94/10/71/762941071.db2.gz MYBYWLBVWRNMCL-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001001532486 762941077 /nfs/dbraw/zinc/94/10/77/762941077.db2.gz MYBYWLBVWRNMCL-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041300811 762945128 /nfs/dbraw/zinc/94/51/28/762945128.db2.gz JUJZTPHMNRVUGF-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300811 762945132 /nfs/dbraw/zinc/94/51/32/762945132.db2.gz JUJZTPHMNRVUGF-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041300811 762945135 /nfs/dbraw/zinc/94/51/35/762945135.db2.gz JUJZTPHMNRVUGF-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050488 763063797 /nfs/dbraw/zinc/06/37/97/763063797.db2.gz CMILUGIFGNGTRN-WNRNVDISSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050488 763063799 /nfs/dbraw/zinc/06/37/99/763063799.db2.gz CMILUGIFGNGTRN-WNRNVDISSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050488 763063803 /nfs/dbraw/zinc/06/38/03/763063803.db2.gz CMILUGIFGNGTRN-WNRNVDISSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138650 763199452 /nfs/dbraw/zinc/19/94/52/763199452.db2.gz ORAPHGZMRJIDEJ-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138650 763199460 /nfs/dbraw/zinc/19/94/60/763199460.db2.gz ORAPHGZMRJIDEJ-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138650 763199463 /nfs/dbraw/zinc/19/94/63/763199463.db2.gz ORAPHGZMRJIDEJ-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050139441 763202475 /nfs/dbraw/zinc/20/24/75/763202475.db2.gz BSIYZHHLBURNMG-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050139441 763202481 /nfs/dbraw/zinc/20/24/81/763202481.db2.gz BSIYZHHLBURNMG-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050139441 763202490 /nfs/dbraw/zinc/20/24/90/763202490.db2.gz BSIYZHHLBURNMG-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046924163 768120508 /nfs/dbraw/zinc/12/05/08/768120508.db2.gz GNGMAPCLKYRORU-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046924163 768120512 /nfs/dbraw/zinc/12/05/12/768120512.db2.gz GNGMAPCLKYRORU-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046924163 768120514 /nfs/dbraw/zinc/12/05/14/768120514.db2.gz GNGMAPCLKYRORU-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183881 763280800 /nfs/dbraw/zinc/28/08/00/763280800.db2.gz WEHCAOGCYHXHKS-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183881 763280805 /nfs/dbraw/zinc/28/08/05/763280805.db2.gz WEHCAOGCYHXHKS-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001050183881 763280810 /nfs/dbraw/zinc/28/08/10/763280810.db2.gz WEHCAOGCYHXHKS-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001041756997 763292072 /nfs/dbraw/zinc/29/20/72/763292072.db2.gz OGJUAMMUCFDBQH-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788792 763333479 /nfs/dbraw/zinc/33/34/79/763333479.db2.gz ISWTXRFUPJIRAL-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)CC ZINC001050247773 763369070 /nfs/dbraw/zinc/36/90/70/763369070.db2.gz SUQTYKIQPCVAOF-SFHVURJKSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)CC ZINC001050247773 763369077 /nfs/dbraw/zinc/36/90/77/763369077.db2.gz SUQTYKIQPCVAOF-SFHVURJKSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC ZINC001050247773 763369088 /nfs/dbraw/zinc/36/90/88/763369088.db2.gz SUQTYKIQPCVAOF-SFHVURJKSA-N 2 1 313.445 1.852 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)CC ZINC001050247773 763369095 /nfs/dbraw/zinc/36/90/95/763369095.db2.gz SUQTYKIQPCVAOF-SFHVURJKSA-N 2 1 313.445 1.852 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832572 763383713 /nfs/dbraw/zinc/38/37/13/763383713.db2.gz BTMHSOKJVQTSBN-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041832572 763383728 /nfs/dbraw/zinc/38/37/28/763383728.db2.gz BTMHSOKJVQTSBN-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042133865 763689477 /nfs/dbraw/zinc/68/94/77/763689477.db2.gz MJFUHVPSXXFCHH-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527521 763790343 /nfs/dbraw/zinc/79/03/43/763790343.db2.gz XQIUOUFZHXHUKI-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109527521 763790348 /nfs/dbraw/zinc/79/03/48/763790348.db2.gz XQIUOUFZHXHUKI-PMPSAXMXSA-N 2 1 302.422 1.879 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001050662168 763884739 /nfs/dbraw/zinc/88/47/39/763884739.db2.gz FQEGWRGEBLVYJB-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC=C)[C@H]3C2)CC1 ZINC001042368944 763972028 /nfs/dbraw/zinc/97/20/28/763972028.db2.gz TVJQIWKZALGSQQ-WMZOPIPTSA-N 2 1 315.461 1.440 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975866 764247451 /nfs/dbraw/zinc/24/74/51/764247451.db2.gz HZLUENNKWBGHAI-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109975866 764247454 /nfs/dbraw/zinc/24/74/54/764247454.db2.gz HZLUENNKWBGHAI-YVSFHVDLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579405 764424010 /nfs/dbraw/zinc/42/40/10/764424010.db2.gz LYXMZUGOCFFQIC-RDJZCZTQSA-N 2 1 302.422 1.596 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001045947087 766731267 /nfs/dbraw/zinc/73/12/67/766731267.db2.gz IZFWWEQNQOTALT-SJLPKXTDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001129770910 766999173 /nfs/dbraw/zinc/99/91/73/766999173.db2.gz NJGNFAIGZHJLKZ-INIZCTEOSA-N 2 1 303.450 1.370 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC1CC2(CCC2)C1 ZINC001129770910 766999179 /nfs/dbraw/zinc/99/91/79/766999179.db2.gz NJGNFAIGZHJLKZ-INIZCTEOSA-N 2 1 303.450 1.370 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001130297737 767417803 /nfs/dbraw/zinc/41/78/03/767417803.db2.gz QIOIISBKWFHGOM-KRWDZBQOSA-N 2 1 317.408 1.367 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297521 767417828 /nfs/dbraw/zinc/41/78/28/767417828.db2.gz NTNCRAWDIVFDEA-NSHDSACASA-N 2 1 304.232 1.085 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](CC)CC)C1 ZINC001130431436 767518213 /nfs/dbraw/zinc/51/82/13/767518213.db2.gz XTEHQHLLZLLPKI-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096106259 767682471 /nfs/dbraw/zinc/68/24/71/767682471.db2.gz QZKGZKXFSUANSY-IKGGRYGDSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439349 768477318 /nfs/dbraw/zinc/47/73/18/768477318.db2.gz DQCKAXUTDFFTNG-IKGGRYGDSA-N 2 1 323.481 1.186 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132265158 768718831 /nfs/dbraw/zinc/71/88/31/768718831.db2.gz IQSBNVMFRRJIIA-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132360674 768785853 /nfs/dbraw/zinc/78/58/53/768785853.db2.gz UZKOXDBJVQPUOB-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132360674 768785856 /nfs/dbraw/zinc/78/58/56/768785856.db2.gz UZKOXDBJVQPUOB-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377538 768795208 /nfs/dbraw/zinc/79/52/08/768795208.db2.gz YFHXKQJJURQRMN-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001048526729 769494765 /nfs/dbraw/zinc/49/47/65/769494765.db2.gz YKOLSNDTNDHFSI-RANZSIQMSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001048527893 769497071 /nfs/dbraw/zinc/49/70/71/769497071.db2.gz PEFPMDVNEOHBDK-UYTYNIKBSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048527893 769497079 /nfs/dbraw/zinc/49/70/79/769497079.db2.gz PEFPMDVNEOHBDK-UYTYNIKBSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001048527893 769497085 /nfs/dbraw/zinc/49/70/85/769497085.db2.gz PEFPMDVNEOHBDK-UYTYNIKBSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001048532876 769502509 /nfs/dbraw/zinc/50/25/09/769502509.db2.gz JQDBKIFQOLXBLI-MHORFTMASA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001048532876 769502518 /nfs/dbraw/zinc/50/25/18/769502518.db2.gz JQDBKIFQOLXBLI-MHORFTMASA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001048532876 769502528 /nfs/dbraw/zinc/50/25/28/769502528.db2.gz JQDBKIFQOLXBLI-MHORFTMASA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC001048532876 769502534 /nfs/dbraw/zinc/50/25/34/769502534.db2.gz JQDBKIFQOLXBLI-MHORFTMASA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]1C ZINC001133263101 769642749 /nfs/dbraw/zinc/64/27/49/769642749.db2.gz PIIISRAJFWACEQ-DLBZAZTESA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071606334 769704346 /nfs/dbraw/zinc/70/43/46/769704346.db2.gz HYHCJKGRRXNLMQ-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001133415911 769788387 /nfs/dbraw/zinc/78/83/87/769788387.db2.gz URBGTSBPUDKGNR-MRXNPFEDSA-N 2 1 320.412 1.489 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@H]2C1 ZINC001048823970 769947938 /nfs/dbraw/zinc/94/79/38/769947938.db2.gz OQIUURSDQBCFQG-KSZLIROESA-N 2 1 317.477 1.685 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C[C@H]2C1 ZINC001048857943 769997191 /nfs/dbraw/zinc/99/71/91/769997191.db2.gz JQAYBKQVHLJNMH-OKZBNKHCSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857943 769997197 /nfs/dbraw/zinc/99/71/97/769997197.db2.gz JQAYBKQVHLJNMH-OKZBNKHCSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)C[C@H]2C1 ZINC001048857943 769997203 /nfs/dbraw/zinc/99/72/03/769997203.db2.gz JQAYBKQVHLJNMH-OKZBNKHCSA-N 2 1 319.493 1.931 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048887787 770053359 /nfs/dbraw/zinc/05/33/59/770053359.db2.gz DINSIIGZQVMOAF-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887787 770053371 /nfs/dbraw/zinc/05/33/71/770053371.db2.gz DINSIIGZQVMOAF-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048887787 770053382 /nfs/dbraw/zinc/05/33/82/770053382.db2.gz DINSIIGZQVMOAF-XDNAFOTISA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048958961 770165694 /nfs/dbraw/zinc/16/56/94/770165694.db2.gz AGNWUKPLRHCINB-IXDOHACOSA-N 2 1 303.450 1.437 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059720 770309841 /nfs/dbraw/zinc/30/98/41/770309841.db2.gz DXOWNDLIPJNHKD-IYBDPMFKSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059720 770309852 /nfs/dbraw/zinc/30/98/52/770309852.db2.gz DXOWNDLIPJNHKD-IYBDPMFKSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049059720 770309864 /nfs/dbraw/zinc/30/98/64/770309864.db2.gz DXOWNDLIPJNHKD-IYBDPMFKSA-N 2 1 303.450 1.132 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001133869569 770391326 /nfs/dbraw/zinc/39/13/26/770391326.db2.gz GWSYPNLCVVSKGA-FZMZJTMJSA-N 2 1 306.435 1.023 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175184 770501925 /nfs/dbraw/zinc/50/19/25/770501925.db2.gz OFQBMFBOUHGKDI-GASCZTMLSA-N 2 1 312.417 1.175 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C1 ZINC001049175184 770501932 /nfs/dbraw/zinc/50/19/32/770501932.db2.gz OFQBMFBOUHGKDI-GASCZTMLSA-N 2 1 312.417 1.175 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049230880 770575443 /nfs/dbraw/zinc/57/54/43/770575443.db2.gz FSBOINRODOZCTG-HDICACEKSA-N 2 1 311.429 1.385 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049672030 771071815 /nfs/dbraw/zinc/07/18/15/771071815.db2.gz PFNNNHJDSYUADF-XSLAGTTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672030 771071821 /nfs/dbraw/zinc/07/18/21/771071821.db2.gz PFNNNHJDSYUADF-XSLAGTTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672030 771071826 /nfs/dbraw/zinc/07/18/26/771071826.db2.gz PFNNNHJDSYUADF-XSLAGTTESA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688209 771087503 /nfs/dbraw/zinc/08/75/03/771087503.db2.gz SIBYITQYGCHMKI-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001049892088 771238844 /nfs/dbraw/zinc/23/88/44/771238844.db2.gz ZIHQKKGAUVCJNN-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049892088 771238846 /nfs/dbraw/zinc/23/88/46/771238846.db2.gz ZIHQKKGAUVCJNN-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049892088 771238848 /nfs/dbraw/zinc/23/88/48/771238848.db2.gz ZIHQKKGAUVCJNN-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC=C)CC1 ZINC001049918818 771259778 /nfs/dbraw/zinc/25/97/78/771259778.db2.gz MUFJWXJJNSTXQB-MSOLQXFVSA-N 2 1 315.461 1.583 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001090571700 771998325 /nfs/dbraw/zinc/99/83/25/771998325.db2.gz BMJUJUHVAAMTOS-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001146706504 772922749 /nfs/dbraw/zinc/92/27/49/772922749.db2.gz FXCUOZIGFOWECR-JKSUJKDBSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001146706504 772922750 /nfs/dbraw/zinc/92/27/50/772922750.db2.gz FXCUOZIGFOWECR-JKSUJKDBSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCN(C)c3cc[nH+]cc3)C2)C1 ZINC001147830671 773258741 /nfs/dbraw/zinc/25/87/41/773258741.db2.gz UMOGGELHOOUQPE-UHFFFAOYSA-N 2 1 312.417 1.075 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073740713 773362631 /nfs/dbraw/zinc/36/26/31/773362631.db2.gz IWNNQHVSLAQWRN-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073740713 773362635 /nfs/dbraw/zinc/36/26/35/773362635.db2.gz IWNNQHVSLAQWRN-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073740713 773362641 /nfs/dbraw/zinc/36/26/41/773362641.db2.gz IWNNQHVSLAQWRN-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756129 773380818 /nfs/dbraw/zinc/38/08/18/773380818.db2.gz UALHRSXLTMWMQR-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738056 773555232 /nfs/dbraw/zinc/55/52/32/773555232.db2.gz ODKZRBKVGAMUHN-RYRKJORJSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910280 773712018 /nfs/dbraw/zinc/71/20/18/773712018.db2.gz QBLKDDWAIBXFCP-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074326757 773824611 /nfs/dbraw/zinc/82/46/11/773824611.db2.gz JZSQDBIYZLWZCU-IAGOWNOFSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074326757 773824618 /nfs/dbraw/zinc/82/46/18/773824618.db2.gz JZSQDBIYZLWZCU-IAGOWNOFSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001091856698 773840983 /nfs/dbraw/zinc/84/09/83/773840983.db2.gz YSKSICQWSLAUHM-APWZRJJASA-N 2 1 322.412 1.752 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953751 773893452 /nfs/dbraw/zinc/89/34/52/773893452.db2.gz UCWVRAUFWBLUKR-CUSZFKRNSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953751 773893458 /nfs/dbraw/zinc/89/34/58/773893458.db2.gz UCWVRAUFWBLUKR-CUSZFKRNSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001091953751 773893466 /nfs/dbraw/zinc/89/34/66/773893466.db2.gz UCWVRAUFWBLUKR-CUSZFKRNSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]21 ZINC001036762879 774516300 /nfs/dbraw/zinc/51/63/00/774516300.db2.gz QXRXWGNYOSLYBE-AEFFLSMTSA-N 2 1 322.412 1.894 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036809467 774693940 /nfs/dbraw/zinc/69/39/40/774693940.db2.gz LKZYEHMCIPSYFM-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036810191 774695148 /nfs/dbraw/zinc/69/51/48/774695148.db2.gz XJAJJMVWVVFMHW-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820121 774747164 /nfs/dbraw/zinc/74/71/64/774747164.db2.gz CTOZRZCBEYAXSX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820121 774747165 /nfs/dbraw/zinc/74/71/65/774747165.db2.gz CTOZRZCBEYAXSX-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@H]21 ZINC001036836451 774813384 /nfs/dbraw/zinc/81/33/84/774813384.db2.gz QLJOPSKTYIRPBF-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036855075 774943528 /nfs/dbraw/zinc/94/35/28/774943528.db2.gz VNBJEGWQVCBTTB-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](CC)CC ZINC001099538710 775021105 /nfs/dbraw/zinc/02/11/05/775021105.db2.gz XIDULPFIDJBEER-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[N@H+](C)CC ZINC001099544506 775022992 /nfs/dbraw/zinc/02/29/92/775022992.db2.gz QCVAVHCGRIINCK-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544506 775022997 /nfs/dbraw/zinc/02/29/97/775022997.db2.gz QCVAVHCGRIINCK-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)CC ZINC001099544506 775023003 /nfs/dbraw/zinc/02/30/03/775023003.db2.gz QCVAVHCGRIINCK-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100141574 775726238 /nfs/dbraw/zinc/72/62/38/775726238.db2.gz WONOGLAMBXBZND-IRXDYDNUSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904882 776081286 /nfs/dbraw/zinc/08/12/86/776081286.db2.gz YTODXACDIAYTSM-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605472 776357149 /nfs/dbraw/zinc/35/71/49/776357149.db2.gz DKTJBAUWCZIKDY-UYSNPLJNSA-N 2 1 309.454 1.156 20 30 DDEDMP C[C@H](C[NH3+])C[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982272 776951981 /nfs/dbraw/zinc/95/19/81/776951981.db2.gz VUVCKNFMAUGOHK-MCIONIFRSA-N 2 1 310.442 1.805 20 30 DDEDMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172982272 776951987 /nfs/dbraw/zinc/95/19/87/776951987.db2.gz VUVCKNFMAUGOHK-MCIONIFRSA-N 2 1 310.442 1.805 20 30 DDEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173340721 777118122 /nfs/dbraw/zinc/11/81/22/777118122.db2.gz JYPKXOHSSAJDSA-HWOWSKLDSA-N 2 1 306.454 1.601 20 30 DDEDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173340721 777118124 /nfs/dbraw/zinc/11/81/24/777118124.db2.gz JYPKXOHSSAJDSA-HWOWSKLDSA-N 2 1 306.454 1.601 20 30 DDEDMP C#CCC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001101522408 777206336 /nfs/dbraw/zinc/20/63/36/777206336.db2.gz ZRXXMLJUQITQIT-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001101591366 777282257 /nfs/dbraw/zinc/28/22/57/777282257.db2.gz VVZSTBNFZMHUJQ-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150297165 777375539 /nfs/dbraw/zinc/37/55/39/777375539.db2.gz ALRDREZCJCPZFP-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001177150211 778462366 /nfs/dbraw/zinc/46/23/66/778462366.db2.gz JHCOMDGUQZHJOJ-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001177150211 778462368 /nfs/dbraw/zinc/46/23/68/778462368.db2.gz JHCOMDGUQZHJOJ-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001179395034 779356121 /nfs/dbraw/zinc/35/61/21/779356121.db2.gz DDMRHYKZCFITBP-MRXNPFEDSA-N 2 1 316.449 1.653 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396949 779357462 /nfs/dbraw/zinc/35/74/62/779357462.db2.gz YBOWMDDDNIWCMV-HRCADAONSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396949 779357465 /nfs/dbraw/zinc/35/74/65/779357465.db2.gz YBOWMDDDNIWCMV-HRCADAONSA-N 2 1 309.454 1.251 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001179725156 779468953 /nfs/dbraw/zinc/46/89/53/779468953.db2.gz KWROHCPQOYQVRG-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190273 779643621 /nfs/dbraw/zinc/64/36/21/779643621.db2.gz STLHBUUURZPNLU-CHWSQXEVSA-N 2 1 319.371 1.330 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112437110 779777948 /nfs/dbraw/zinc/77/79/48/779777948.db2.gz YEAFKIYYYTUFNU-LPHOPBHVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001119298910 781398242 /nfs/dbraw/zinc/39/82/42/781398242.db2.gz HLCZBEOQCPCNOX-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC001119298910 781398247 /nfs/dbraw/zinc/39/82/47/781398247.db2.gz HLCZBEOQCPCNOX-SJORKVTESA-N 2 1 320.481 1.504 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267145034 837412754 /nfs/dbraw/zinc/41/27/54/837412754.db2.gz LSRFFORVVJRORW-YOEHRIQHSA-N 2 1 311.445 1.707 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266805074 836861327 /nfs/dbraw/zinc/86/13/27/836861327.db2.gz UPVIAQIQLPIEEI-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267086669 837317274 /nfs/dbraw/zinc/31/72/74/837317274.db2.gz BHEXFTKUNRYSLE-IAGOWNOFSA-N 2 1 323.481 1.692 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267108611 837365099 /nfs/dbraw/zinc/36/50/99/837365099.db2.gz PEQQRDMQDJTSQC-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267108611 837365107 /nfs/dbraw/zinc/36/51/07/837365107.db2.gz PEQQRDMQDJTSQC-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267108611 837365113 /nfs/dbraw/zinc/36/51/13/837365113.db2.gz PEQQRDMQDJTSQC-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001271996483 844278336 /nfs/dbraw/zinc/27/83/36/844278336.db2.gz NBPUPVGEHVXEEM-SFHVURJKSA-N 2 1 323.481 1.382 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267779530 838958889 /nfs/dbraw/zinc/95/88/89/838958889.db2.gz RWTGTOXLJRAAMH-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268166326 839781696 /nfs/dbraw/zinc/78/16/96/839781696.db2.gz SAPWNSDWDCVCQM-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268166326 839781706 /nfs/dbraw/zinc/78/17/06/839781706.db2.gz SAPWNSDWDCVCQM-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP N#Cc1cccc(C[NH2+]C/C=C\CNC(=O)CCc2cnc[nH]2)c1 ZINC001268547612 840427629 /nfs/dbraw/zinc/42/76/29/840427629.db2.gz IAZCJBNXPOYUJN-UPHRSURJSA-N 2 1 323.400 1.676 20 30 DDEDMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC#CC)CC1 ZINC001270359065 842513994 /nfs/dbraw/zinc/51/39/94/842513994.db2.gz RJHGWLMGTHBQHL-UHFFFAOYSA-N 2 1 303.450 1.278 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001280219078 842551118 /nfs/dbraw/zinc/55/11/18/842551118.db2.gz HSRJJPKUIGOFDJ-MRXNPFEDSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001270779150 842896765 /nfs/dbraw/zinc/89/67/65/842896765.db2.gz LWQGCBWXRCYOKJ-IEBWSBKVSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001279137533 843097111 /nfs/dbraw/zinc/09/71/11/843097111.db2.gz WESMWWNNIQJRDC-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000996925750 846868333 /nfs/dbraw/zinc/86/83/33/846868333.db2.gz DJQQXMAUKGEAMY-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000996925750 846868338 /nfs/dbraw/zinc/86/83/38/846868338.db2.gz DJQQXMAUKGEAMY-INIZCTEOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870122 847572154 /nfs/dbraw/zinc/57/21/54/847572154.db2.gz IGMJDQLHUUTYEE-GOSISDBHSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870122 847572161 /nfs/dbraw/zinc/57/21/61/847572161.db2.gz IGMJDQLHUUTYEE-GOSISDBHSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217505 848124928 /nfs/dbraw/zinc/12/49/28/848124928.db2.gz RZWSOTCDQDVJCY-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217505 848124934 /nfs/dbraw/zinc/12/49/34/848124934.db2.gz RZWSOTCDQDVJCY-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217505 848124940 /nfs/dbraw/zinc/12/49/40/848124940.db2.gz RZWSOTCDQDVJCY-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238686 848165849 /nfs/dbraw/zinc/16/58/49/848165849.db2.gz KZRVRTXEFWCMPD-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238686 848165853 /nfs/dbraw/zinc/16/58/53/848165853.db2.gz KZRVRTXEFWCMPD-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238686 848165856 /nfs/dbraw/zinc/16/58/56/848165856.db2.gz KZRVRTXEFWCMPD-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001327251228 861996965 /nfs/dbraw/zinc/99/69/65/861996965.db2.gz INTDZYQQRUZYNJ-MRXNPFEDSA-N 2 1 316.449 1.558 20 30 DDEDMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001327251228 861996976 /nfs/dbraw/zinc/99/69/76/861996976.db2.gz INTDZYQQRUZYNJ-MRXNPFEDSA-N 2 1 316.449 1.558 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150297787 862172746 /nfs/dbraw/zinc/17/27/46/862172746.db2.gz CSZZBVHOQAUDFH-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001150334393 862185661 /nfs/dbraw/zinc/18/56/61/862185661.db2.gz VZBYJBZMAJVTKX-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150334393 862185665 /nfs/dbraw/zinc/18/56/65/862185665.db2.gz VZBYJBZMAJVTKX-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150334393 862185667 /nfs/dbraw/zinc/18/56/67/862185667.db2.gz VZBYJBZMAJVTKX-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150490036 862273839 /nfs/dbraw/zinc/27/38/39/862273839.db2.gz TZQWWWSZTDAJJU-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001327568460 862280987 /nfs/dbraw/zinc/28/09/87/862280987.db2.gz HBUGLTIJFMCITA-SFHVURJKSA-N 2 1 323.481 1.380 20 30 DDEDMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2cnc(C)n2C1 ZINC001275135510 852831627 /nfs/dbraw/zinc/83/16/27/852831627.db2.gz KADJSGVXUXNEKF-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001275135510 852831630 /nfs/dbraw/zinc/83/16/30/852831630.db2.gz KADJSGVXUXNEKF-WBVHZDCISA-N 2 1 316.449 1.863 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)[C@@H]2C1 ZINC001275326867 852983506 /nfs/dbraw/zinc/98/35/06/852983506.db2.gz FEMXFFGJLYVVIG-FUHWJXTLSA-N 2 1 316.424 1.765 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761798 862456740 /nfs/dbraw/zinc/45/67/40/862456740.db2.gz SLZDZXQPYBTGBF-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001275588949 853404538 /nfs/dbraw/zinc/40/45/38/853404538.db2.gz JMXHJJZZOCETIX-HOTGVXAUSA-N 2 1 320.462 1.066 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]21 ZINC001275588949 853404541 /nfs/dbraw/zinc/40/45/41/853404541.db2.gz JMXHJJZZOCETIX-HOTGVXAUSA-N 2 1 320.462 1.066 20 30 DDEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001151026978 862585467 /nfs/dbraw/zinc/58/54/67/862585467.db2.gz MDCFVMFQGVHRGM-INIZCTEOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001327996186 862619054 /nfs/dbraw/zinc/61/90/54/862619054.db2.gz SXCHQXAKBASJAG-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812058 857738344 /nfs/dbraw/zinc/73/83/44/857738344.db2.gz QKNPNVHQUJJSMG-INIZCTEOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC001072983055 857967021 /nfs/dbraw/zinc/96/70/21/857967021.db2.gz KBXCPGUYHRPZKK-OCCSQVGLSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC001072983055 857967023 /nfs/dbraw/zinc/96/70/23/857967023.db2.gz KBXCPGUYHRPZKK-OCCSQVGLSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072983055 857967024 /nfs/dbraw/zinc/96/70/24/857967024.db2.gz KBXCPGUYHRPZKK-OCCSQVGLSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC001072983055 857967027 /nfs/dbraw/zinc/96/70/27/857967027.db2.gz KBXCPGUYHRPZKK-OCCSQVGLSA-N 2 1 311.857 1.471 20 30 DDEDMP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC001121903005 858627024 /nfs/dbraw/zinc/62/70/24/858627024.db2.gz ADFMOGKJDZKMMK-INIZCTEOSA-N 2 1 313.445 1.900 20 30 DDEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001328869054 863296762 /nfs/dbraw/zinc/29/67/62/863296762.db2.gz KCDBCDSFAJWYNM-LEOMRAHMSA-N 2 1 317.477 1.901 20 30 DDEDMP CC(C)[N@@H+](C)[C@H]1CCN(c2ncc3c(c2C#N)CCC[NH2+]C3)C1 ZINC001157001215 863510607 /nfs/dbraw/zinc/51/06/07/863510607.db2.gz KTEXXKUFVNPPFB-HNNXBMFYSA-N 2 1 313.449 1.908 20 30 DDEDMP COCC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001329955171 863973592 /nfs/dbraw/zinc/97/35/92/863973592.db2.gz ZFUBRZJPPSVEPJ-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158474288 864676333 /nfs/dbraw/zinc/67/63/33/864676333.db2.gz WMDRFCYFIXJSOO-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158474288 864676338 /nfs/dbraw/zinc/67/63/38/864676338.db2.gz WMDRFCYFIXJSOO-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158474288 864676342 /nfs/dbraw/zinc/67/63/42/864676342.db2.gz WMDRFCYFIXJSOO-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001331358027 865030761 /nfs/dbraw/zinc/03/07/61/865030761.db2.gz ABUJGOOYKOPBGG-MSOLQXFVSA-N 2 1 313.445 1.749 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001331944444 865449282 /nfs/dbraw/zinc/44/92/82/865449282.db2.gz QHZHIOQKYHMWGX-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001331944444 865449290 /nfs/dbraw/zinc/44/92/90/865449290.db2.gz QHZHIOQKYHMWGX-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP C=CCOc1cc(C)nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160513057 865899007 /nfs/dbraw/zinc/89/90/07/865899007.db2.gz JLEPLKHFTAEFSN-INIZCTEOSA-N 2 1 303.410 1.185 20 30 DDEDMP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001319851575 866343249 /nfs/dbraw/zinc/34/32/49/866343249.db2.gz WTJMGZJZTLIOHT-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161207290 866440693 /nfs/dbraw/zinc/44/06/93/866440693.db2.gz RWBJEJPOKMTKKI-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207290 866440710 /nfs/dbraw/zinc/44/07/10/866440710.db2.gz RWBJEJPOKMTKKI-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161207290 866440726 /nfs/dbraw/zinc/44/07/26/866440726.db2.gz RWBJEJPOKMTKKI-DOTOQJQBSA-N 2 1 305.466 1.899 20 30 DDEDMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001333129966 866443060 /nfs/dbraw/zinc/44/30/60/866443060.db2.gz ZPMUNCCPQJKZJF-JCYILVPMSA-N 2 1 305.466 1.852 20 30 DDEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320046178 866447194 /nfs/dbraw/zinc/44/71/94/866447194.db2.gz CBEGCCYZTVHTDJ-OAHLLOKOSA-N 2 1 304.438 1.720 20 30 DDEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001320046178 866447199 /nfs/dbraw/zinc/44/71/99/866447199.db2.gz CBEGCCYZTVHTDJ-OAHLLOKOSA-N 2 1 304.438 1.720 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C[C@@H](C)CC)CC1 ZINC001320091608 866463461 /nfs/dbraw/zinc/46/34/61/866463461.db2.gz XNBQJPWFVMAQIV-INIZCTEOSA-N 2 1 307.482 1.768 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001324286811 867182779 /nfs/dbraw/zinc/18/27/79/867182779.db2.gz UOXOVYJZOQQSDL-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001320998600 867190272 /nfs/dbraw/zinc/19/02/72/867190272.db2.gz PFNZQQOWPXVOAC-YATRRXNKSA-N 2 1 312.417 1.414 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171150 867314096 /nfs/dbraw/zinc/31/40/96/867314096.db2.gz JXXHQXYCDMPCOY-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001325051302 867720786 /nfs/dbraw/zinc/72/07/86/867720786.db2.gz OLYJGFGEQNMGPN-ZDUSSCGKSA-N 2 1 315.408 1.730 20 30 DDEDMP C=C(C)C[NH2+]CCCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001322516799 868216681 /nfs/dbraw/zinc/21/66/81/868216681.db2.gz KLDYVMFSORFTAB-INIZCTEOSA-N 2 1 319.453 1.804 20 30 DDEDMP C=C(C)C[NH2+]CCCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001322516799 868216698 /nfs/dbraw/zinc/21/66/98/868216698.db2.gz KLDYVMFSORFTAB-INIZCTEOSA-N 2 1 319.453 1.804 20 30 DDEDMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001322543978 868235228 /nfs/dbraw/zinc/23/52/28/868235228.db2.gz QRFVXFDMBTYQRK-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[C@H](CC)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338606900 870068625 /nfs/dbraw/zinc/06/86/25/870068625.db2.gz CPEXPRVKFCNTQU-BHYGNILZSA-N 2 1 320.481 1.951 20 30 DDEDMP C=CCn1c([C@H]2CCCN2C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC001338994709 870285286 /nfs/dbraw/zinc/28/52/86/870285286.db2.gz HXFQRCUNCWREPF-CQSZACIVSA-N 2 1 318.469 1.761 20 30 DDEDMP C=CCn1c([C@H]2CCCN2C)nnc1N1CCN(C)C(C)(C)C1 ZINC001338994709 870285305 /nfs/dbraw/zinc/28/53/05/870285305.db2.gz HXFQRCUNCWREPF-CQSZACIVSA-N 2 1 318.469 1.761 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001205284224 871484577 /nfs/dbraw/zinc/48/45/77/871484577.db2.gz KKOQXOKMPPUTRB-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461048 871563875 /nfs/dbraw/zinc/56/38/75/871563875.db2.gz DZFOLIPXHUFUCD-INIZCTEOSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001205461507 871567389 /nfs/dbraw/zinc/56/73/89/871567389.db2.gz LRMIUKQYYCNVAF-INIZCTEOSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518663 871603923 /nfs/dbraw/zinc/60/39/23/871603923.db2.gz GHVPGIMRJMISSS-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)CCC=C)C2)CC1 ZINC001318373835 871965210 /nfs/dbraw/zinc/96/52/10/871965210.db2.gz IMCZITBNUCCQMB-FUHWJXTLSA-N 2 1 317.477 1.877 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001316750300 871995261 /nfs/dbraw/zinc/99/52/61/871995261.db2.gz UQAHXLLZKJVRLQ-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001316750300 871995273 /nfs/dbraw/zinc/99/52/73/871995273.db2.gz UQAHXLLZKJVRLQ-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001316750300 871995285 /nfs/dbraw/zinc/99/52/85/871995285.db2.gz UQAHXLLZKJVRLQ-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cc2)c1 ZINC001206467909 872353652 /nfs/dbraw/zinc/35/36/52/872353652.db2.gz DIJCBFZIZQJWFU-FUHWJXTLSA-N 2 1 308.385 1.372 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319280972 872534148 /nfs/dbraw/zinc/53/41/48/872534148.db2.gz BBNMYVKHKRATHG-INIZCTEOSA-N 2 1 324.428 1.585 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001208013768 873749641 /nfs/dbraw/zinc/74/96/41/873749641.db2.gz JSFNNSKJHMHWPC-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209499251 874923237 /nfs/dbraw/zinc/92/32/37/874923237.db2.gz STZZHKYLGWFSMA-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001209499251 874923240 /nfs/dbraw/zinc/92/32/40/874923240.db2.gz STZZHKYLGWFSMA-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H](OC)C1 ZINC001213914410 876101323 /nfs/dbraw/zinc/10/13/23/876101323.db2.gz FIVYPDSOQDPMLS-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001353821241 877590541 /nfs/dbraw/zinc/59/05/41/877590541.db2.gz UARYKWSIBYQEIY-AEFFLSMTSA-N 2 1 313.445 1.626 20 30 DDEDMP C[C@H](C[N@H+](C)Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001379745648 877895055 /nfs/dbraw/zinc/89/50/55/877895055.db2.gz SZMGVENAFHXEAZ-CYBMUJFWSA-N 2 1 320.412 1.586 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001379745648 877895068 /nfs/dbraw/zinc/89/50/68/877895068.db2.gz SZMGVENAFHXEAZ-CYBMUJFWSA-N 2 1 320.412 1.586 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656231 878429124 /nfs/dbraw/zinc/42/91/24/878429124.db2.gz QZWWDQCVYUYDTR-VQHPVUNQSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656231 878429126 /nfs/dbraw/zinc/42/91/26/878429126.db2.gz QZWWDQCVYUYDTR-VQHPVUNQSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656231 878429132 /nfs/dbraw/zinc/42/91/32/878429132.db2.gz QZWWDQCVYUYDTR-VQHPVUNQSA-N 2 1 323.481 1.234 20 30 DDEDMP C#CC[NH+]1CCC(NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001356618744 879134695 /nfs/dbraw/zinc/13/46/95/879134695.db2.gz LINFKGJRESGGHY-LJQANCHMSA-N 2 1 315.461 1.167 20 30 DDEDMP C#CC[NH+]1CCC(NC[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001356618744 879134703 /nfs/dbraw/zinc/13/47/03/879134703.db2.gz LINFKGJRESGGHY-LJQANCHMSA-N 2 1 315.461 1.167 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001223387516 880942553 /nfs/dbraw/zinc/94/25/53/880942553.db2.gz FTKLFIZZSIAXOE-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001230306792 884420990 /nfs/dbraw/zinc/42/09/90/884420990.db2.gz DBYGYILUQWYWOF-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001230306792 884421000 /nfs/dbraw/zinc/42/10/00/884421000.db2.gz DBYGYILUQWYWOF-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CC2CC2)CC1 ZINC001280884311 889584444 /nfs/dbraw/zinc/58/44/44/889584444.db2.gz ZAJMNYFYQZNLQB-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001246303024 892526435 /nfs/dbraw/zinc/52/64/35/892526435.db2.gz GKRABMVQTLXSAJ-INIZCTEOSA-N 3 1 311.470 1.676 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)CC2)cc1 ZINC001246855051 892941505 /nfs/dbraw/zinc/94/15/05/892941505.db2.gz SEWXYYCQILJNNG-QFBILLFUSA-N 2 1 324.428 1.586 20 30 DDEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001278637043 894805326 /nfs/dbraw/zinc/80/53/26/894805326.db2.gz SBXVPRJFSNFLJN-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001278637043 894805339 /nfs/dbraw/zinc/80/53/39/894805339.db2.gz SBXVPRJFSNFLJN-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001278752332 896187624 /nfs/dbraw/zinc/18/76/24/896187624.db2.gz CXXLAQDMKWHUII-CYBMUJFWSA-N 2 1 301.381 1.342 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254676215 896569785 /nfs/dbraw/zinc/56/97/85/896569785.db2.gz JALQVOUQAROWED-ZWKOTPCHSA-N 2 1 302.466 1.970 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001279012466 897835503 /nfs/dbraw/zinc/83/55/03/897835503.db2.gz NSJJJFKJTNBWRD-UONOGXRCSA-N 2 1 318.421 1.200 20 30 DDEDMP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001263103789 900500211 /nfs/dbraw/zinc/50/02/11/900500211.db2.gz MDHGZXIWLNIAJT-CVEARBPZSA-N 2 1 312.502 1.426 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001263872602 900787859 /nfs/dbraw/zinc/78/78/59/900787859.db2.gz QBULBQFTILKPHX-JYJNAYRXSA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001264108581 900939875 /nfs/dbraw/zinc/93/98/75/900939875.db2.gz MVTIUDHOWKHDMB-UHFFFAOYSA-N 2 1 311.470 1.311 20 30 DDEDMP C[NH+](C)CCCC(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001391498175 901853475 /nfs/dbraw/zinc/85/34/75/901853475.db2.gz SGRRRRBCZJVGNJ-UHFFFAOYSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC#CCOC)C1 ZINC001265708696 902328850 /nfs/dbraw/zinc/32/88/50/902328850.db2.gz RZFYWUXKVBKZMV-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC001265708696 902328859 /nfs/dbraw/zinc/32/88/59/902328859.db2.gz RZFYWUXKVBKZMV-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001265708696 902328872 /nfs/dbraw/zinc/32/88/72/902328872.db2.gz RZFYWUXKVBKZMV-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001265720681 902341113 /nfs/dbraw/zinc/34/11/13/902341113.db2.gz PMJXMBUHZVEDIK-ZOFXXKQRSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265720681 902341123 /nfs/dbraw/zinc/34/11/23/902341123.db2.gz PMJXMBUHZVEDIK-ZOFXXKQRSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001265720681 902341132 /nfs/dbraw/zinc/34/11/32/902341132.db2.gz PMJXMBUHZVEDIK-ZOFXXKQRSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCOCC[NH+]1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001266185166 903078146 /nfs/dbraw/zinc/07/81/46/903078146.db2.gz BDVSHIUOTOXWQZ-UHFFFAOYSA-N 2 1 320.437 1.317 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279576444 903334171 /nfs/dbraw/zinc/33/41/71/903334171.db2.gz NKJALDJCQJRIHX-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001280072968 903505114 /nfs/dbraw/zinc/50/51/14/903505114.db2.gz KNRVRIHKKAUTRG-FUHWJXTLSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCC1 ZINC001280485430 903727417 /nfs/dbraw/zinc/72/74/17/903727417.db2.gz MWPPDSKQBRJAIC-GJZGRUSLSA-N 2 1 309.429 1.461 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCC1 ZINC001280485430 903727432 /nfs/dbraw/zinc/72/74/32/903727432.db2.gz MWPPDSKQBRJAIC-GJZGRUSLSA-N 2 1 309.429 1.461 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC)CCC1 ZINC001280485298 903727522 /nfs/dbraw/zinc/72/75/22/903727522.db2.gz GXSWKTHVRQXFDQ-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](C)CC)CCC1 ZINC001280485298 903727530 /nfs/dbraw/zinc/72/75/30/903727530.db2.gz GXSWKTHVRQXFDQ-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001280524012 903761845 /nfs/dbraw/zinc/76/18/45/903761845.db2.gz YJMUVXFMWIWSKZ-HOTGVXAUSA-N 2 1 303.450 1.655 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001280921973 904191762 /nfs/dbraw/zinc/19/17/62/904191762.db2.gz SBEXHFDMSUTWDY-INIZCTEOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001280921973 904191774 /nfs/dbraw/zinc/19/17/74/904191774.db2.gz SBEXHFDMSUTWDY-INIZCTEOSA-N 2 1 323.481 1.595 20 30 DDEDMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001371419040 904939886 /nfs/dbraw/zinc/93/98/86/904939886.db2.gz AATKQGMESKWOPT-HUUCEWRRSA-N 2 1 314.433 1.494 20 30 DDEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001281744515 905193939 /nfs/dbraw/zinc/19/39/39/905193939.db2.gz ZIKWFEUASSFEQP-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CC[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001281833413 905256023 /nfs/dbraw/zinc/25/60/23/905256023.db2.gz LOTXOMSVWBNWNH-UHFFFAOYSA-N 2 1 304.438 1.938 20 30 DDEDMP C=CC[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001281833413 905256040 /nfs/dbraw/zinc/25/60/40/905256040.db2.gz LOTXOMSVWBNWNH-UHFFFAOYSA-N 2 1 304.438 1.938 20 30 DDEDMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001283533048 907552674 /nfs/dbraw/zinc/55/26/74/907552674.db2.gz RVDYJBGFGBYFBM-NVXWUHKLSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001393633680 907565065 /nfs/dbraw/zinc/56/50/65/907565065.db2.gz JZOOHYNKFUQEPG-ZDUSSCGKSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001393633680 907565078 /nfs/dbraw/zinc/56/50/78/907565078.db2.gz JZOOHYNKFUQEPG-ZDUSSCGKSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001393633680 907565088 /nfs/dbraw/zinc/56/50/88/907565088.db2.gz JZOOHYNKFUQEPG-ZDUSSCGKSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001393633680 907565098 /nfs/dbraw/zinc/56/50/98/907565098.db2.gz JZOOHYNKFUQEPG-ZDUSSCGKSA-N 2 1 301.862 1.861 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001394322311 909340109 /nfs/dbraw/zinc/34/01/09/909340109.db2.gz CSNNJAGTQGDPLS-ZIAGYGMSSA-N 2 1 317.861 1.286 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001284968141 909845783 /nfs/dbraw/zinc/84/57/83/909845783.db2.gz UVPLQESMMSGUAF-UHFFFAOYSA-N 2 1 321.465 1.423 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001284968141 909845791 /nfs/dbraw/zinc/84/57/91/909845791.db2.gz UVPLQESMMSGUAF-UHFFFAOYSA-N 2 1 321.465 1.423 20 30 DDEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001316661331 916682182 /nfs/dbraw/zinc/68/21/82/916682182.db2.gz AQTCUDUCQUOBML-SOUVJXGZSA-N 2 1 302.422 1.486 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000321659745 354533554 /nfs/dbraw/zinc/53/35/54/354533554.db2.gz RWIGOZLEAQFULZ-WMLDXEAASA-N 2 1 315.417 1.372 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000322916966 354539183 /nfs/dbraw/zinc/53/91/83/354539183.db2.gz KYMPUIVFGZMCTL-IXDOHACOSA-N 2 1 315.417 1.514 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000322916965 354539624 /nfs/dbraw/zinc/53/96/24/354539624.db2.gz KYMPUIVFGZMCTL-GVDBMIGSSA-N 2 1 315.417 1.514 20 30 DDEDMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594441429 356216754 /nfs/dbraw/zinc/21/67/54/356216754.db2.gz RRTSBXYQQOAXPW-INIZCTEOSA-N 2 1 308.470 1.976 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000348261593 223382454 /nfs/dbraw/zinc/38/24/54/223382454.db2.gz GZXSFJLPCJXNHN-PBHICJAKSA-N 2 1 319.453 1.956 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000348261593 223382457 /nfs/dbraw/zinc/38/24/57/223382457.db2.gz GZXSFJLPCJXNHN-PBHICJAKSA-N 2 1 319.453 1.956 20 30 DDEDMP Cc1noc(C)c1[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000130752006 407707904 /nfs/dbraw/zinc/70/79/04/407707904.db2.gz DBFFKBYQTMOWGR-LBPRGKRZSA-N 2 1 323.441 1.022 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000268690889 408158007 /nfs/dbraw/zinc/15/80/07/408158007.db2.gz HDHFRLATCBPFQP-SFHVURJKSA-N 2 1 312.461 1.939 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000176587085 408400289 /nfs/dbraw/zinc/40/02/89/408400289.db2.gz MAFXWRMZNWCROU-MRXNPFEDSA-N 2 1 322.497 1.914 20 30 DDEDMP C#CCNC(=O)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274815800 408542849 /nfs/dbraw/zinc/54/28/49/408542849.db2.gz IRNIUAJODCLNFP-SOLBZPMBSA-N 2 1 313.445 1.625 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274815800 408542856 /nfs/dbraw/zinc/54/28/56/408542856.db2.gz IRNIUAJODCLNFP-SOLBZPMBSA-N 2 1 313.445 1.625 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303890914 409557671 /nfs/dbraw/zinc/55/76/71/409557671.db2.gz QHNKIWFEKIDTGT-DOTOQJQBSA-N 2 1 318.465 1.490 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCCNc1ccccn1 ZINC000296849967 409666205 /nfs/dbraw/zinc/66/62/05/409666205.db2.gz JXHGQQZBCUYEKX-UHFFFAOYSA-N 2 1 317.437 1.528 20 30 DDEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC000360338119 411129454 /nfs/dbraw/zinc/12/94/54/411129454.db2.gz OXVJCQQTNZOCAV-GOEBONIOSA-N 2 1 300.406 1.126 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC#N ZINC000360338119 411129456 /nfs/dbraw/zinc/12/94/56/411129456.db2.gz OXVJCQQTNZOCAV-GOEBONIOSA-N 2 1 300.406 1.126 20 30 DDEDMP CC[NH+]=C(NCC1(C)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261694878 222254943 /nfs/dbraw/zinc/25/49/43/222254943.db2.gz ISRFZOZQINCVLH-HNNXBMFYSA-N 2 1 308.470 1.406 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCCO1 ZINC000261712911 222255951 /nfs/dbraw/zinc/25/59/51/222255951.db2.gz DVMSEYBTZDWJAU-MRXNPFEDSA-N 2 1 302.422 1.128 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCCO1 ZINC000261712911 222255955 /nfs/dbraw/zinc/25/59/55/222255955.db2.gz DVMSEYBTZDWJAU-MRXNPFEDSA-N 2 1 302.422 1.128 20 30 DDEDMP CCc1cnc(CNC(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)=[NH+]C)s1 ZINC000261994392 222268227 /nfs/dbraw/zinc/26/82/27/222268227.db2.gz SBSDPVDEPKWWMM-SMDDNHRTSA-N 2 1 321.494 1.853 20 30 DDEDMP CCCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264137623 222324303 /nfs/dbraw/zinc/32/43/03/222324303.db2.gz VRQNACITVBSKPW-UHFFFAOYSA-N 2 1 303.454 1.248 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262013276 222269288 /nfs/dbraw/zinc/26/92/88/222269288.db2.gz XCKPJBUTIWOXAZ-GOEBONIOSA-N 3 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000262013276 222269292 /nfs/dbraw/zinc/26/92/92/222269292.db2.gz XCKPJBUTIWOXAZ-GOEBONIOSA-N 2 1 321.513 1.509 20 30 DDEDMP CC[NH+]=C(NCc1c(C)noc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262010061 222269565 /nfs/dbraw/zinc/26/95/65/222269565.db2.gz WKYKCEVJOCDXFM-BDJLRTHQSA-N 2 1 319.453 1.829 20 30 DDEDMP CCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000264082389 222314193 /nfs/dbraw/zinc/31/41/93/222314193.db2.gz HXJKWEQLCUYFPG-UHFFFAOYSA-N 2 1 303.454 1.248 20 30 DDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCSCC#N)C2)CC1 ZINC000363466940 418766433 /nfs/dbraw/zinc/76/64/33/418766433.db2.gz HSBMKASKGFPIOV-MRXNPFEDSA-N 2 1 310.511 1.593 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000424178610 228242226 /nfs/dbraw/zinc/24/22/26/228242226.db2.gz RMBOMZZLMKZKBW-LSDHHAIUSA-N 2 1 304.369 1.320 20 30 DDEDMP C=CCc1cc(C[NH2+]C[C@H]2CNCCN2C)cc(OC)c1O ZINC000414971601 419899778 /nfs/dbraw/zinc/89/97/78/419899778.db2.gz WQDVGSBIPKRQRZ-OAHLLOKOSA-N 2 1 305.422 1.123 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425665159 420431072 /nfs/dbraw/zinc/43/10/72/420431072.db2.gz RTQGRZJHPNNKKO-DOTOQJQBSA-N 2 1 320.481 1.763 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000491783529 421203392 /nfs/dbraw/zinc/20/33/92/421203392.db2.gz PLPBBNANGCYZFY-KRWDZBQOSA-N 2 1 320.481 1.601 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cnc2c(C#N)cnn2c1)C[NH+]1CCCCC1 ZINC000550112847 421513586 /nfs/dbraw/zinc/51/35/86/421513586.db2.gz UTZGDAPKTRZRPB-AWEZNQCLSA-N 2 1 312.421 1.813 20 30 DDEDMP C=CC[C@]1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000662749576 424755576 /nfs/dbraw/zinc/75/55/76/424755576.db2.gz JUAFEZZZQVSEMB-FUHWJXTLSA-N 2 1 305.466 1.875 20 30 DDEDMP CC[N@@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000330240436 276397724 /nfs/dbraw/zinc/39/77/24/276397724.db2.gz BLAIGPWYTYGZQC-ZNMIVQPWSA-N 2 1 319.453 1.917 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000330240436 276397725 /nfs/dbraw/zinc/39/77/25/276397725.db2.gz BLAIGPWYTYGZQC-ZNMIVQPWSA-N 2 1 319.453 1.917 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330169803 279295759 /nfs/dbraw/zinc/29/57/59/279295759.db2.gz BNOBJYORYIRRLY-UONOGXRCSA-N 2 1 305.426 1.528 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(C)C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330169803 279295761 /nfs/dbraw/zinc/29/57/61/279295761.db2.gz BNOBJYORYIRRLY-UONOGXRCSA-N 2 1 305.426 1.528 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000576564182 308323394 /nfs/dbraw/zinc/32/33/94/308323394.db2.gz BZVQPNLKTWMWSH-UHFFFAOYSA-N 2 1 310.361 1.285 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000458319372 526423703 /nfs/dbraw/zinc/42/37/03/526423703.db2.gz GGTAJCGPKVZTIP-MRXNPFEDSA-N 2 1 308.470 1.761 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000491486377 526814650 /nfs/dbraw/zinc/81/46/50/526814650.db2.gz VLZILNKTGQHUOS-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000491486377 526814654 /nfs/dbraw/zinc/81/46/54/526814654.db2.gz VLZILNKTGQHUOS-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000491486377 526814660 /nfs/dbraw/zinc/81/46/60/526814660.db2.gz VLZILNKTGQHUOS-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000491375557 526818056 /nfs/dbraw/zinc/81/80/56/526818056.db2.gz WNTVZNOSKILRGL-UHFFFAOYSA-N 2 1 316.449 1.503 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180407 695170151 /nfs/dbraw/zinc/17/01/51/695170151.db2.gz YCDCVCUPJXWBEX-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180407 695170153 /nfs/dbraw/zinc/17/01/53/695170153.db2.gz YCDCVCUPJXWBEX-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419491 695244984 /nfs/dbraw/zinc/24/49/84/695244984.db2.gz FNKQYCOQCGBYAV-FUHWJXTLSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419491 695244986 /nfs/dbraw/zinc/24/49/86/695244986.db2.gz FNKQYCOQCGBYAV-FUHWJXTLSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431554 695249373 /nfs/dbraw/zinc/24/93/73/695249373.db2.gz RAXXUFUYTJMMHS-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431554 695249375 /nfs/dbraw/zinc/24/93/75/695249375.db2.gz RAXXUFUYTJMMHS-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972533659 695274586 /nfs/dbraw/zinc/27/45/86/695274586.db2.gz GFYDTJWKUUYGGE-GOSISDBHSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000972533659 695274587 /nfs/dbraw/zinc/27/45/87/695274587.db2.gz GFYDTJWKUUYGGE-GOSISDBHSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670261 695708762 /nfs/dbraw/zinc/70/87/62/695708762.db2.gz HTPJXJLAEJHYPI-UONOGXRCSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670261 695708764 /nfs/dbraw/zinc/70/87/64/695708764.db2.gz HTPJXJLAEJHYPI-UONOGXRCSA-N 2 1 302.422 1.773 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981772653 696910332 /nfs/dbraw/zinc/91/03/32/696910332.db2.gz YSKRRPACAQFOPN-QGZVFWFLSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981812648 696926449 /nfs/dbraw/zinc/92/64/49/696926449.db2.gz RWCVOMLAZZVAPC-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812648 696926452 /nfs/dbraw/zinc/92/64/52/696926452.db2.gz RWCVOMLAZZVAPC-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812648 696926454 /nfs/dbraw/zinc/92/64/54/696926454.db2.gz RWCVOMLAZZVAPC-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000982116830 697034243 /nfs/dbraw/zinc/03/42/43/697034243.db2.gz TXFRRGQOPUZTJT-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982116830 697034246 /nfs/dbraw/zinc/03/42/46/697034246.db2.gz TXFRRGQOPUZTJT-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000982116830 697034249 /nfs/dbraw/zinc/03/42/49/697034249.db2.gz TXFRRGQOPUZTJT-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000981366193 697076911 /nfs/dbraw/zinc/07/69/11/697076911.db2.gz XSINVRLLWOKECK-HUUCEWRRSA-N 2 1 302.422 1.657 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981524876 697118640 /nfs/dbraw/zinc/11/86/40/697118640.db2.gz SUIGTODWRCQLEC-KGLIPLIRSA-N 2 1 310.829 1.961 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3cnc[nH]3)C[C@@]2(C)C1 ZINC000982597877 697156251 /nfs/dbraw/zinc/15/62/51/697156251.db2.gz DUFYVXXLGKHTGC-CALCHBBNSA-N 2 1 302.422 1.699 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000985757389 697569079 /nfs/dbraw/zinc/56/90/79/697569079.db2.gz DRUGJBJGKFDZCQ-UHFFFAOYSA-N 2 1 300.406 1.317 20 30 DDEDMP Cc1ccc([C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000195522714 697746275 /nfs/dbraw/zinc/74/62/75/697746275.db2.gz FRZDRMACZXAJOE-CVEARBPZSA-N 2 1 304.438 1.681 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000303788086 698607207 /nfs/dbraw/zinc/60/72/07/698607207.db2.gz TWIPUKBJYRCMEU-MRXNPFEDSA-N 2 1 306.454 1.490 20 30 DDEDMP Cc1cccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000303895606 698610531 /nfs/dbraw/zinc/61/05/31/698610531.db2.gz UAMYIHMMIKLKNF-UHFFFAOYSA-N 2 1 304.438 1.164 20 30 DDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])NC1CCCCC1 ZINC000303969094 698611972 /nfs/dbraw/zinc/61/19/72/698611972.db2.gz BLUQRQZFBVXQOJ-OAHLLOKOSA-N 2 1 323.485 1.166 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991859642 699425631 /nfs/dbraw/zinc/42/56/31/699425631.db2.gz JKOIQCZAFGXSSY-RDJZCZTQSA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991859642 699425634 /nfs/dbraw/zinc/42/56/34/699425634.db2.gz JKOIQCZAFGXSSY-RDJZCZTQSA-N 2 1 302.422 1.881 20 30 DDEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000729681142 699484820 /nfs/dbraw/zinc/48/48/20/699484820.db2.gz CTXJWYRJCZMAOY-LBPRGKRZSA-N 2 1 309.377 1.532 20 30 DDEDMP CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000867960141 701855460 /nfs/dbraw/zinc/85/54/60/701855460.db2.gz HMOQMLOODYDFGT-AEFFLSMTSA-N 2 1 324.428 1.440 20 30 DDEDMP CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000867960141 701855467 /nfs/dbraw/zinc/85/54/67/701855467.db2.gz HMOQMLOODYDFGT-AEFFLSMTSA-N 2 1 324.428 1.440 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868221195 702007902 /nfs/dbraw/zinc/00/79/02/702007902.db2.gz CFWRYSIWWKRPTL-DOTOQJQBSA-N 2 1 320.481 1.763 20 30 DDEDMP N#Cc1ccc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843062916 702811418 /nfs/dbraw/zinc/81/14/18/702811418.db2.gz UHORSBXDKAKXBS-DLBZAZTESA-N 2 1 303.406 1.028 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000871188029 704240719 /nfs/dbraw/zinc/24/07/19/704240719.db2.gz KFAUNQPNVYKLRV-QGZVFWFLSA-N 2 1 301.434 1.803 20 30 DDEDMP C#C[C@H](CCC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000820640719 704313858 /nfs/dbraw/zinc/31/38/58/704313858.db2.gz PWYHEPQONIJOFZ-IAGOWNOFSA-N 2 1 322.497 1.846 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214900 704824333 /nfs/dbraw/zinc/82/43/33/704824333.db2.gz QPSWZTZAKCQQJU-UHFFFAOYSA-N 2 1 316.449 1.942 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214900 704824337 /nfs/dbraw/zinc/82/43/37/704824337.db2.gz QPSWZTZAKCQQJU-UHFFFAOYSA-N 2 1 316.449 1.942 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000876941326 705932041 /nfs/dbraw/zinc/93/20/41/705932041.db2.gz KHALACKGBVYJOL-ZIAGYGMSSA-N 2 1 317.861 1.416 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000876941326 705932037 /nfs/dbraw/zinc/93/20/37/705932037.db2.gz KHALACKGBVYJOL-ZIAGYGMSSA-N 2 1 317.861 1.416 20 30 DDEDMP C#Cc1cnc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000827813577 706071213 /nfs/dbraw/zinc/07/12/13/706071213.db2.gz VBPBGJPYZFKDCG-SJPCQFCGSA-N 2 1 311.433 1.205 20 30 DDEDMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1Cc2ccccc2O1 ZINC000883216812 707955887 /nfs/dbraw/zinc/95/58/87/707955887.db2.gz WVJYQVYDVVEOHX-YTQUADARSA-N 2 1 316.445 1.981 20 30 DDEDMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1Cc2ccccc2O1 ZINC000883216812 707955890 /nfs/dbraw/zinc/95/58/90/707955890.db2.gz WVJYQVYDVVEOHX-YTQUADARSA-N 2 1 316.445 1.981 20 30 DDEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884218969 708195841 /nfs/dbraw/zinc/19/58/41/708195841.db2.gz DIWAGJUXHSLIGC-VUGNNNGISA-N 2 1 318.465 1.220 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000884454090 708303122 /nfs/dbraw/zinc/30/31/22/708303122.db2.gz FPIGQLMPBBHSEV-GVDBMIGSSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000884454090 708303126 /nfs/dbraw/zinc/30/31/26/708303126.db2.gz FPIGQLMPBBHSEV-GVDBMIGSSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000884454090 708303130 /nfs/dbraw/zinc/30/31/30/708303130.db2.gz FPIGQLMPBBHSEV-GVDBMIGSSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000884454090 708303132 /nfs/dbraw/zinc/30/31/32/708303132.db2.gz FPIGQLMPBBHSEV-GVDBMIGSSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000890362238 709835079 /nfs/dbraw/zinc/83/50/79/709835079.db2.gz AQGYQEYRZHYCMH-OAHLLOKOSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000890362238 709835083 /nfs/dbraw/zinc/83/50/83/709835083.db2.gz AQGYQEYRZHYCMH-OAHLLOKOSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCC)CC[NH+]2CCCC2)C1 ZINC000890364745 709837582 /nfs/dbraw/zinc/83/75/82/709837582.db2.gz HPEHSRUWQYQEKJ-KRWDZBQOSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCC)CC[NH+]2CCCC2)C1 ZINC000890364745 709837587 /nfs/dbraw/zinc/83/75/87/709837587.db2.gz HPEHSRUWQYQEKJ-KRWDZBQOSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000890371728 709844011 /nfs/dbraw/zinc/84/40/11/709844011.db2.gz BOUUEAWJHRFGLR-MRXNPFEDSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000890371728 709844015 /nfs/dbraw/zinc/84/40/15/709844015.db2.gz BOUUEAWJHRFGLR-MRXNPFEDSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000890371728 709844020 /nfs/dbraw/zinc/84/40/20/709844020.db2.gz BOUUEAWJHRFGLR-MRXNPFEDSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000890371728 709844024 /nfs/dbraw/zinc/84/40/24/709844024.db2.gz BOUUEAWJHRFGLR-MRXNPFEDSA-N 2 1 306.454 1.210 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000901107568 709927613 /nfs/dbraw/zinc/92/76/13/709927613.db2.gz ZOUXXSPHKBOQDD-UHFFFAOYSA-N 2 1 302.422 1.547 20 30 DDEDMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902746034 710887366 /nfs/dbraw/zinc/88/73/66/710887366.db2.gz ZFAVPGRUNOPSCC-OAHLLOKOSA-N 2 1 301.438 1.631 20 30 DDEDMP N#CC1CCC(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000903459698 711133468 /nfs/dbraw/zinc/13/34/68/711133468.db2.gz XGKGXIMGEHAGED-XUJLQICISA-N 2 1 302.426 1.704 20 30 DDEDMP N#CC1(CCCC[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)CCC1 ZINC000903745475 711265827 /nfs/dbraw/zinc/26/58/27/711265827.db2.gz ILTBIUFLGSQHDE-MRXNPFEDSA-N 2 1 318.465 1.747 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903819732 711291173 /nfs/dbraw/zinc/29/11/73/711291173.db2.gz NKANWVAUYKKJIZ-KRWDZBQOSA-N 2 1 315.417 1.436 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903819732 711291175 /nfs/dbraw/zinc/29/11/75/711291175.db2.gz NKANWVAUYKKJIZ-KRWDZBQOSA-N 2 1 315.417 1.436 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000914072842 713338229 /nfs/dbraw/zinc/33/82/29/713338229.db2.gz YUOVMNKBPIGLHX-HZPDHXFCSA-N 2 1 320.481 1.646 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000931441807 714099457 /nfs/dbraw/zinc/09/94/57/714099457.db2.gz YMMXKJAHSBQBFG-RYRKJORJSA-N 2 1 324.428 1.547 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000931441807 714099459 /nfs/dbraw/zinc/09/94/59/714099459.db2.gz YMMXKJAHSBQBFG-RYRKJORJSA-N 2 1 324.428 1.547 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 ZINC000931441807 714099462 /nfs/dbraw/zinc/09/94/62/714099462.db2.gz YMMXKJAHSBQBFG-RYRKJORJSA-N 2 1 324.428 1.547 20 30 DDEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]CC2([NH3+])CCC2)c(OC)c1 ZINC000923330926 714317539 /nfs/dbraw/zinc/31/75/39/714317539.db2.gz DGXCRWKGCJPTHA-HNNXBMFYSA-N 2 1 320.433 1.634 20 30 DDEDMP C[N@H+](C[C@@H](O)COc1ccccc1C#N)C1(C[NH3+])CCCCC1 ZINC000923420666 714350298 /nfs/dbraw/zinc/35/02/98/714350298.db2.gz BKHLBWYRDTZQMJ-MRXNPFEDSA-N 2 1 317.433 1.891 20 30 DDEDMP C[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1(C[NH3+])CCCCC1 ZINC000923420666 714350300 /nfs/dbraw/zinc/35/03/00/714350300.db2.gz BKHLBWYRDTZQMJ-MRXNPFEDSA-N 2 1 317.433 1.891 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000923559190 714402614 /nfs/dbraw/zinc/40/26/14/714402614.db2.gz ILIZTYWHBXUQOL-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000923559190 714402615 /nfs/dbraw/zinc/40/26/15/714402615.db2.gz ILIZTYWHBXUQOL-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP N#Cc1ccc(F)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000925812509 714941814 /nfs/dbraw/zinc/94/18/14/714941814.db2.gz IFPWJPYVWVJTDE-DJIMGWMZSA-N 2 1 303.381 1.944 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000957118033 715756571 /nfs/dbraw/zinc/75/65/71/715756571.db2.gz RVZRAZBOOZHNSK-UHFFFAOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939246873 716176617 /nfs/dbraw/zinc/17/66/17/716176617.db2.gz KZDIOXOCRKBNKG-HUUCEWRRSA-N 2 1 302.422 1.466 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960278266 716477398 /nfs/dbraw/zinc/47/73/98/716477398.db2.gz GUXUVCYQSVOGCL-QSJFSLAZSA-N 2 1 314.433 1.773 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000960278266 716477401 /nfs/dbraw/zinc/47/74/01/716477401.db2.gz GUXUVCYQSVOGCL-QSJFSLAZSA-N 2 1 314.433 1.773 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961920946 717250150 /nfs/dbraw/zinc/25/01/50/717250150.db2.gz HHDDPCFWYWKTCT-FOLVSLTJSA-N 2 1 300.406 1.076 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961920946 717250154 /nfs/dbraw/zinc/25/01/54/717250154.db2.gz HHDDPCFWYWKTCT-FOLVSLTJSA-N 2 1 300.406 1.076 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2ccnc2)cn1 ZINC000962278206 717386474 /nfs/dbraw/zinc/38/64/74/717386474.db2.gz KVBJUSQIKVBQGZ-FOLVSLTJSA-N 2 1 309.373 1.113 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597912 717769668 /nfs/dbraw/zinc/76/96/68/717769668.db2.gz OHHZVESFMQPYEQ-IUODEOHRSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597912 717769671 /nfs/dbraw/zinc/76/96/71/717769671.db2.gz OHHZVESFMQPYEQ-IUODEOHRSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944170046 718265211 /nfs/dbraw/zinc/26/52/11/718265211.db2.gz RYMRQUJMGYQZLU-HOCLYGCPSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944170046 718265213 /nfs/dbraw/zinc/26/52/13/718265213.db2.gz RYMRQUJMGYQZLU-HOCLYGCPSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CC)C[C@H]2CC1 ZINC000946628571 718858068 /nfs/dbraw/zinc/85/80/68/718858068.db2.gz YVTXCTJAPFNJTM-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC)C[C@H]2CC1 ZINC000946628571 718858072 /nfs/dbraw/zinc/85/80/72/718858072.db2.gz YVTXCTJAPFNJTM-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC)C[C@H]2CC1 ZINC000946628571 718858077 /nfs/dbraw/zinc/85/80/77/718858077.db2.gz YVTXCTJAPFNJTM-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC)C[C@H]2CC1 ZINC000946628571 718858084 /nfs/dbraw/zinc/85/80/84/718858084.db2.gz YVTXCTJAPFNJTM-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946644546 718863978 /nfs/dbraw/zinc/86/39/78/718863978.db2.gz GWNDAEIZRQPMLQ-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644546 718863984 /nfs/dbraw/zinc/86/39/84/718863984.db2.gz GWNDAEIZRQPMLQ-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644546 718863992 /nfs/dbraw/zinc/86/39/92/718863992.db2.gz GWNDAEIZRQPMLQ-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947505766 719190749 /nfs/dbraw/zinc/19/07/49/719190749.db2.gz DWYLAWBWGHZFLH-ZBFHGGJFSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947537856 719202509 /nfs/dbraw/zinc/20/25/09/719202509.db2.gz RHBKMALDHRMAFM-CABCVRRESA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1C ZINC000947537859 719202675 /nfs/dbraw/zinc/20/26/75/719202675.db2.gz RHBKMALDHRMAFM-HUUCEWRRSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725891 719254736 /nfs/dbraw/zinc/25/47/36/719254736.db2.gz FLOZPQZYRMHKSN-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725891 719254739 /nfs/dbraw/zinc/25/47/39/719254739.db2.gz FLOZPQZYRMHKSN-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000947725891 719254741 /nfs/dbraw/zinc/25/47/41/719254741.db2.gz FLOZPQZYRMHKSN-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C(C)C)C[C@H]1C ZINC000947771454 719265346 /nfs/dbraw/zinc/26/53/46/719265346.db2.gz LSIIYLJZBOYCEO-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771454 719265352 /nfs/dbraw/zinc/26/53/52/719265352.db2.gz LSIIYLJZBOYCEO-HZPDHXFCSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000947852015 719290106 /nfs/dbraw/zinc/29/01/06/719290106.db2.gz DNKZSLIQGYEZNS-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)[C@H](C)C2)CC1 ZINC000948071119 719349907 /nfs/dbraw/zinc/34/99/07/719349907.db2.gz VKVRBTOMDGONRF-SJLPKXTDSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CCCF)CC1 ZINC000948449748 719505452 /nfs/dbraw/zinc/50/54/52/719505452.db2.gz WTRJCJSKCXELRQ-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CCCF)CC1 ZINC000948449748 719505456 /nfs/dbraw/zinc/50/54/56/719505456.db2.gz WTRJCJSKCXELRQ-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000948449748 719505459 /nfs/dbraw/zinc/50/54/59/719505459.db2.gz WTRJCJSKCXELRQ-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCCF)CC1 ZINC000948449748 719505463 /nfs/dbraw/zinc/50/54/63/719505463.db2.gz WTRJCJSKCXELRQ-SJORKVTESA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968856540 719825602 /nfs/dbraw/zinc/82/56/02/719825602.db2.gz KBKUHAAKFKGKBY-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244311 719971989 /nfs/dbraw/zinc/97/19/89/719971989.db2.gz AAVHNHCPRXTRSS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000949317612 720013746 /nfs/dbraw/zinc/01/37/46/720013746.db2.gz UJAGGVXXDRPKQP-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949317612 720013750 /nfs/dbraw/zinc/01/37/50/720013750.db2.gz UJAGGVXXDRPKQP-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000949317612 720013753 /nfs/dbraw/zinc/01/37/53/720013753.db2.gz UJAGGVXXDRPKQP-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001023698133 735406292 /nfs/dbraw/zinc/40/62/92/735406292.db2.gz RBAJIFOJBUMGFZ-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614174 732562852 /nfs/dbraw/zinc/56/28/52/732562852.db2.gz MPVUTQVZCGMUQR-TVFCKZIOSA-N 2 1 313.445 1.755 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788286 733372224 /nfs/dbraw/zinc/37/22/24/733372224.db2.gz BBKPPEAXNAKXIR-QGZVFWFLSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021645491 733398389 /nfs/dbraw/zinc/39/83/89/733398389.db2.gz LXZORPDOCPVPEV-IRXDYDNUSA-N 2 1 314.433 1.609 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021717763 733481282 /nfs/dbraw/zinc/48/12/82/733481282.db2.gz QYZFYASOPHTZRW-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718258 733482485 /nfs/dbraw/zinc/48/24/85/733482485.db2.gz VYKOIJXFQRKQGN-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022221102 734438639 /nfs/dbraw/zinc/43/86/39/734438639.db2.gz XQOMRTXZTCXBJS-BBWFWOEESA-N 2 1 317.477 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001022221102 734438640 /nfs/dbraw/zinc/43/86/40/734438640.db2.gz XQOMRTXZTCXBJS-BBWFWOEESA-N 2 1 317.477 1.757 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422203 734783568 /nfs/dbraw/zinc/78/35/68/734783568.db2.gz FZWSOPKSQINXEC-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372557 735203254 /nfs/dbraw/zinc/20/32/54/735203254.db2.gz VEAIZVZBUASDNS-WBVHZDCISA-N 2 1 305.466 1.733 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409646 735214115 /nfs/dbraw/zinc/21/41/15/735214115.db2.gz AYLCSDVLWIMYNT-ROUUACIJSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409646 735214121 /nfs/dbraw/zinc/21/41/21/735214121.db2.gz AYLCSDVLWIMYNT-ROUUACIJSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023409646 735214126 /nfs/dbraw/zinc/21/41/26/735214126.db2.gz AYLCSDVLWIMYNT-ROUUACIJSA-N 2 1 319.493 1.816 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100676343 735725259 /nfs/dbraw/zinc/72/52/59/735725259.db2.gz LMNQGKINLMNYNZ-FHERZECASA-N 2 1 309.454 1.158 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001035254498 751360447 /nfs/dbraw/zinc/36/04/47/751360447.db2.gz JMVDROWYUQIBHD-UHFFFAOYSA-N 2 1 303.450 1.420 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624236 735989553 /nfs/dbraw/zinc/98/95/53/735989553.db2.gz MWVWGYGOFDFBSX-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624236 735989557 /nfs/dbraw/zinc/98/95/57/735989557.db2.gz MWVWGYGOFDFBSX-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001025239378 736386872 /nfs/dbraw/zinc/38/68/72/736386872.db2.gz DQLIUTCRFBQACI-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239378 736386875 /nfs/dbraw/zinc/38/68/75/736386875.db2.gz DQLIUTCRFBQACI-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001025239378 736386877 /nfs/dbraw/zinc/38/68/77/736386877.db2.gz DQLIUTCRFBQACI-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104684114 736517735 /nfs/dbraw/zinc/51/77/35/736517735.db2.gz YAHYJYJHZIZQMO-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2occc2C[NH+](C)C)C1 ZINC001025514679 736734247 /nfs/dbraw/zinc/73/42/47/736734247.db2.gz DHEXWIPOCYGZRP-CABCVRRESA-N 2 1 317.433 1.805 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026140048 737140067 /nfs/dbraw/zinc/14/00/67/737140067.db2.gz BQIOJZNNYGFRKT-SMLCLMEVSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001027439865 738297050 /nfs/dbraw/zinc/29/70/50/738297050.db2.gz UJAJRVMEUAAECN-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439865 738297054 /nfs/dbraw/zinc/29/70/54/738297054.db2.gz UJAJRVMEUAAECN-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001027439865 738297060 /nfs/dbraw/zinc/29/70/60/738297060.db2.gz UJAJRVMEUAAECN-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001027465152 738317049 /nfs/dbraw/zinc/31/70/49/738317049.db2.gz SKQISWZOCDROSM-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001027469411 738324224 /nfs/dbraw/zinc/32/42/24/738324224.db2.gz ZRKICYPKNIKCCM-LSDHHAIUSA-N 2 1 300.406 1.002 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001027471086 738328586 /nfs/dbraw/zinc/32/85/86/738328586.db2.gz FIRUTTFOMDNKHX-MRXNPFEDSA-N 2 1 310.401 1.812 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035364931 751449987 /nfs/dbraw/zinc/44/99/87/751449987.db2.gz FMRSENDPGBVOCO-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035364931 751449991 /nfs/dbraw/zinc/44/99/91/751449991.db2.gz FMRSENDPGBVOCO-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035364931 751449994 /nfs/dbraw/zinc/44/99/94/751449994.db2.gz FMRSENDPGBVOCO-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544578 739650296 /nfs/dbraw/zinc/65/02/96/739650296.db2.gz GEOAJVJXVPGNBF-UKRRQHHQSA-N 2 1 311.857 1.519 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544578 739650300 /nfs/dbraw/zinc/65/03/00/739650300.db2.gz GEOAJVJXVPGNBF-UKRRQHHQSA-N 2 1 311.857 1.519 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001035376078 751472606 /nfs/dbraw/zinc/47/26/06/751472606.db2.gz OLYWWTYSHXOYHH-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758074 739999478 /nfs/dbraw/zinc/99/94/78/739999478.db2.gz MYUQRORPMUBASK-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758074 739999483 /nfs/dbraw/zinc/99/94/83/739999483.db2.gz MYUQRORPMUBASK-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758074 739999488 /nfs/dbraw/zinc/99/94/88/739999488.db2.gz MYUQRORPMUBASK-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028766190 740011563 /nfs/dbraw/zinc/01/15/63/740011563.db2.gz NYXADOVSZRZVDR-AWEZNQCLSA-N 2 1 305.422 1.969 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014186 740946915 /nfs/dbraw/zinc/94/69/15/740946915.db2.gz JKBBPZTVMYEHQD-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621644 742018840 /nfs/dbraw/zinc/01/88/40/742018840.db2.gz NBKMTHOVTRLJNU-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621644 742018843 /nfs/dbraw/zinc/01/88/43/742018843.db2.gz NBKMTHOVTRLJNU-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621644 742018845 /nfs/dbraw/zinc/01/88/45/742018845.db2.gz NBKMTHOVTRLJNU-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523393 742457739 /nfs/dbraw/zinc/45/77/39/742457739.db2.gz BGMVVPCDTXQGLM-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083523393 742457743 /nfs/dbraw/zinc/45/77/43/742457743.db2.gz BGMVVPCDTXQGLM-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523393 742457746 /nfs/dbraw/zinc/45/77/46/742457746.db2.gz BGMVVPCDTXQGLM-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083523393 742457749 /nfs/dbraw/zinc/45/77/49/742457749.db2.gz BGMVVPCDTXQGLM-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629938 751733866 /nfs/dbraw/zinc/73/38/66/751733866.db2.gz QXLSOSGRQFPSFE-ROUUACIJSA-N 2 1 313.445 1.875 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629938 751733867 /nfs/dbraw/zinc/73/38/67/751733867.db2.gz QXLSOSGRQFPSFE-ROUUACIJSA-N 2 1 313.445 1.875 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)CC2 ZINC001035721210 751809132 /nfs/dbraw/zinc/80/91/32/751809132.db2.gz XECPJMKNICPRFM-QGZVFWFLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)C2)CC1 ZINC001016335198 743480092 /nfs/dbraw/zinc/48/00/92/743480092.db2.gz BNNRQZWIFPTULS-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030441443 744161433 /nfs/dbraw/zinc/16/14/33/744161433.db2.gz XJPMOGHKCCSWOO-MRXNPFEDSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030441443 744161436 /nfs/dbraw/zinc/16/14/36/744161436.db2.gz XJPMOGHKCCSWOO-MRXNPFEDSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001185168875 744169755 /nfs/dbraw/zinc/16/97/55/744169755.db2.gz JXYGRLKRYQPZKI-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001185168907 744169958 /nfs/dbraw/zinc/16/99/58/744169958.db2.gz KHZCUMQVEOJAOS-CVEARBPZSA-N 2 1 307.482 1.672 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985590 744543878 /nfs/dbraw/zinc/54/38/78/744543878.db2.gz XIWVSECROHQXAL-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985590 744543880 /nfs/dbraw/zinc/54/38/80/744543880.db2.gz XIWVSECROHQXAL-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985590 744543883 /nfs/dbraw/zinc/54/38/83/744543883.db2.gz XIWVSECROHQXAL-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001015000447 744563479 /nfs/dbraw/zinc/56/34/79/744563479.db2.gz PSIYJHUAZSIAOB-LSDHHAIUSA-N 2 1 302.422 1.602 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185943 744671353 /nfs/dbraw/zinc/67/13/53/744671353.db2.gz DDZWKHJLDOOTHL-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185943 744671357 /nfs/dbraw/zinc/67/13/57/744671357.db2.gz DDZWKHJLDOOTHL-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC000992185943 744671360 /nfs/dbraw/zinc/67/13/60/744671360.db2.gz DDZWKHJLDOOTHL-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167353 744844303 /nfs/dbraw/zinc/84/43/03/744844303.db2.gz JTIIYXVPIIOTMM-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167353 744844305 /nfs/dbraw/zinc/84/43/05/744844305.db2.gz JTIIYXVPIIOTMM-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167353 744844306 /nfs/dbraw/zinc/84/43/06/744844306.db2.gz JTIIYXVPIIOTMM-JKSUJKDBSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516770 744909577 /nfs/dbraw/zinc/90/95/77/744909577.db2.gz LNRNFTBBNKVJOL-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001189516770 744909578 /nfs/dbraw/zinc/90/95/78/744909578.db2.gz LNRNFTBBNKVJOL-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001189516770 744909581 /nfs/dbraw/zinc/90/95/81/744909581.db2.gz LNRNFTBBNKVJOL-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001189516770 744909582 /nfs/dbraw/zinc/90/95/82/744909582.db2.gz LNRNFTBBNKVJOL-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CC)CC3)CC1 ZINC000992511430 744928296 /nfs/dbraw/zinc/92/82/96/744928296.db2.gz QWTQALPBUQSDTD-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046369456 745038362 /nfs/dbraw/zinc/03/83/62/745038362.db2.gz VJHMIBBEOXSUOU-WMZOPIPTSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046369456 745038367 /nfs/dbraw/zinc/03/83/67/745038367.db2.gz VJHMIBBEOXSUOU-WMZOPIPTSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001046369456 745038374 /nfs/dbraw/zinc/03/83/74/745038374.db2.gz VJHMIBBEOXSUOU-WMZOPIPTSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001190725464 745308687 /nfs/dbraw/zinc/30/86/87/745308687.db2.gz QNJWVNGKQBEKJV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCCCC)C1 ZINC001190725464 745308691 /nfs/dbraw/zinc/30/86/91/745308691.db2.gz QNJWVNGKQBEKJV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001190725464 745308696 /nfs/dbraw/zinc/30/86/96/745308696.db2.gz QNJWVNGKQBEKJV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCC)C1 ZINC001190725464 745308703 /nfs/dbraw/zinc/30/87/03/745308703.db2.gz QNJWVNGKQBEKJV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCCCC)C1 ZINC001190725464 745308706 /nfs/dbraw/zinc/30/87/06/745308706.db2.gz QNJWVNGKQBEKJV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310449 745593081 /nfs/dbraw/zinc/59/30/81/745593081.db2.gz QIAPAEYSPOQEBR-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106310449 745593082 /nfs/dbraw/zinc/59/30/82/745593082.db2.gz QIAPAEYSPOQEBR-QBPKDAKJSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192356242 745765448 /nfs/dbraw/zinc/76/54/48/745765448.db2.gz XXMPGIGBPRXPPI-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192356242 745765449 /nfs/dbraw/zinc/76/54/49/745765449.db2.gz XXMPGIGBPRXPPI-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192356242 745765454 /nfs/dbraw/zinc/76/54/54/745765454.db2.gz XXMPGIGBPRXPPI-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765730 746046839 /nfs/dbraw/zinc/04/68/39/746046839.db2.gz QAIIUGFSMKDCRC-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352527 746095673 /nfs/dbraw/zinc/09/56/73/746095673.db2.gz STGHYOCVJQVVBD-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352527 746095677 /nfs/dbraw/zinc/09/56/77/746095677.db2.gz STGHYOCVJQVVBD-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352527 746095682 /nfs/dbraw/zinc/09/56/82/746095682.db2.gz STGHYOCVJQVVBD-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352527 746095684 /nfs/dbraw/zinc/09/56/84/746095684.db2.gz STGHYOCVJQVVBD-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001194080564 746274169 /nfs/dbraw/zinc/27/41/69/746274169.db2.gz LBZQXFAALDHTHI-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000994074003 746442202 /nfs/dbraw/zinc/44/22/02/746442202.db2.gz BCNZGDRYZGMLEF-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874682 746551234 /nfs/dbraw/zinc/55/12/34/746551234.db2.gz PKYMLMRFDIXMMX-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195640841 746662931 /nfs/dbraw/zinc/66/29/31/746662931.db2.gz QNJSCEPEWPPYKX-HUUCEWRRSA-N 2 1 321.421 1.082 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001195640841 746662932 /nfs/dbraw/zinc/66/29/32/746662932.db2.gz QNJSCEPEWPPYKX-HUUCEWRRSA-N 2 1 321.421 1.082 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268826 746812771 /nfs/dbraw/zinc/81/27/71/746812771.db2.gz LXHIVSSAWKTVQD-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001196268826 746812776 /nfs/dbraw/zinc/81/27/76/746812776.db2.gz LXHIVSSAWKTVQD-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001196268826 746812784 /nfs/dbraw/zinc/81/27/84/746812784.db2.gz LXHIVSSAWKTVQD-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001196268826 746812789 /nfs/dbraw/zinc/81/27/89/746812789.db2.gz LXHIVSSAWKTVQD-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001203313815 747347387 /nfs/dbraw/zinc/34/73/87/747347387.db2.gz UGXQKKNQWAMXIX-GOSISDBHSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555515 747350857 /nfs/dbraw/zinc/35/08/57/747350857.db2.gz SEUDNBOGAHIMHF-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555515 747350863 /nfs/dbraw/zinc/35/08/63/747350863.db2.gz SEUDNBOGAHIMHF-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001077555515 747350870 /nfs/dbraw/zinc/35/08/70/747350870.db2.gz SEUDNBOGAHIMHF-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555515 747350872 /nfs/dbraw/zinc/35/08/72/747350872.db2.gz SEUDNBOGAHIMHF-BRWVUGGUSA-N 2 1 321.465 1.131 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007496387 752173815 /nfs/dbraw/zinc/17/38/15/752173815.db2.gz PIPSCMRDYLLGJJ-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496387 752173821 /nfs/dbraw/zinc/17/38/21/752173821.db2.gz PIPSCMRDYLLGJJ-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496387 752173825 /nfs/dbraw/zinc/17/38/25/752173825.db2.gz PIPSCMRDYLLGJJ-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003739348 747427990 /nfs/dbraw/zinc/42/79/90/747427990.db2.gz BKENYPSJGPSQJM-KRWDZBQOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664008 747611745 /nfs/dbraw/zinc/61/17/45/747611745.db2.gz CFOADNYLWSJZMJ-MRXNPFEDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001089664008 747611748 /nfs/dbraw/zinc/61/17/48/747611748.db2.gz CFOADNYLWSJZMJ-MRXNPFEDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685317 747654935 /nfs/dbraw/zinc/65/49/35/747654935.db2.gz BFNZZEIHRGBGIB-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001089685317 747654941 /nfs/dbraw/zinc/65/49/41/747654941.db2.gz BFNZZEIHRGBGIB-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000998771508 752225748 /nfs/dbraw/zinc/22/57/48/752225748.db2.gz XDURVFHTURKZHK-HJOIGYKYSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083832469 748357492 /nfs/dbraw/zinc/35/74/92/748357492.db2.gz ITILVNNYBUFACI-IKGGRYGDSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832469 748357501 /nfs/dbraw/zinc/35/75/01/748357501.db2.gz ITILVNNYBUFACI-IKGGRYGDSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083832469 748357509 /nfs/dbraw/zinc/35/75/09/748357509.db2.gz ITILVNNYBUFACI-IKGGRYGDSA-N 2 1 323.481 1.377 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCOC)CC1 ZINC001201094473 748409152 /nfs/dbraw/zinc/40/91/52/748409152.db2.gz SVYZXLDSGRSUHH-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCCCOC)CC1 ZINC001201094473 748409156 /nfs/dbraw/zinc/40/91/56/748409156.db2.gz SVYZXLDSGRSUHH-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153513 748648336 /nfs/dbraw/zinc/64/83/36/748648336.db2.gz VVBYJKZBZSJGQR-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033153513 748648340 /nfs/dbraw/zinc/64/83/40/748648340.db2.gz VVBYJKZBZSJGQR-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C/C=C/Cl)C2)CC1 ZINC001032207332 748844648 /nfs/dbraw/zinc/84/46/48/748844648.db2.gz NMSXLLPUZQFGLD-ZZXKWVIFSA-N 2 1 309.841 1.132 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001202496291 748927544 /nfs/dbraw/zinc/92/75/44/748927544.db2.gz QZTIXEGIKKNTNU-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033213325 748950906 /nfs/dbraw/zinc/95/09/06/748950906.db2.gz ZRUOGQDUAXEXSY-HUUCEWRRSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033213325 748950913 /nfs/dbraw/zinc/95/09/13/748950913.db2.gz ZRUOGQDUAXEXSY-HUUCEWRRSA-N 2 1 316.449 1.932 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039296070 761916711 /nfs/dbraw/zinc/91/67/11/761916711.db2.gz YKICBLVBXPJGNU-DUQJVZAFSA-N 2 1 317.477 1.852 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001114425377 749193926 /nfs/dbraw/zinc/19/39/26/749193926.db2.gz CQPPDAFGLDJVPK-LISAXSMJSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114425377 749193928 /nfs/dbraw/zinc/19/39/28/749193928.db2.gz CQPPDAFGLDJVPK-LISAXSMJSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001114425377 749193930 /nfs/dbraw/zinc/19/39/30/749193930.db2.gz CQPPDAFGLDJVPK-LISAXSMJSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416685 749315016 /nfs/dbraw/zinc/31/50/16/749315016.db2.gz QPQQPQCRYYAHNC-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033416685 749315018 /nfs/dbraw/zinc/31/50/18/749315018.db2.gz QPQQPQCRYYAHNC-HZPDHXFCSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001033684614 749714868 /nfs/dbraw/zinc/71/48/68/749714868.db2.gz OZVNFVMHIHINAI-SJLPKXTDSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001033685528 749716530 /nfs/dbraw/zinc/71/65/30/749716530.db2.gz LYUPTDXYVDYPSQ-NVXWUHKLSA-N 2 1 323.456 1.612 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1(C)C ZINC000996642603 749830580 /nfs/dbraw/zinc/83/05/80/749830580.db2.gz HVITWIWANPUEAS-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1(C)C ZINC000996642603 749830586 /nfs/dbraw/zinc/83/05/86/749830586.db2.gz HVITWIWANPUEAS-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388102 761987483 /nfs/dbraw/zinc/98/74/83/761987483.db2.gz ADXSRCMQHUMLTE-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388102 761987488 /nfs/dbraw/zinc/98/74/88/761987488.db2.gz ADXSRCMQHUMLTE-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388102 761987494 /nfs/dbraw/zinc/98/74/94/761987494.db2.gz ADXSRCMQHUMLTE-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001005478786 750147735 /nfs/dbraw/zinc/14/77/35/750147735.db2.gz ZGBYYTYVUHRIPU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cnc1C ZINC001089896418 750158634 /nfs/dbraw/zinc/15/86/34/750158634.db2.gz MOZKPNLDGXWMAC-IVSAIRAKSA-N 2 1 314.433 1.615 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579213 750176488 /nfs/dbraw/zinc/17/64/88/750176488.db2.gz YGHAGRXRJGTKCR-SJLPKXTDSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579213 750176490 /nfs/dbraw/zinc/17/64/90/750176490.db2.gz YGHAGRXRJGTKCR-SJLPKXTDSA-N 2 1 321.465 1.256 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997275959 750727996 /nfs/dbraw/zinc/72/79/96/750727996.db2.gz AVEPUAYJTSWGOV-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001034763384 750842063 /nfs/dbraw/zinc/84/20/63/750842063.db2.gz QLEQUTMGRMXAIN-WKILWMFISA-N 2 1 323.400 1.531 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](OC)C1 ZINC001212368256 751131382 /nfs/dbraw/zinc/13/13/82/751131382.db2.gz IHHDJWQQWSSUMQ-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001212368256 751131384 /nfs/dbraw/zinc/13/13/84/751131384.db2.gz IHHDJWQQWSSUMQ-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H](OC)C1 ZINC001212368256 751131387 /nfs/dbraw/zinc/13/13/87/751131387.db2.gz IHHDJWQQWSSUMQ-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032537687 751221638 /nfs/dbraw/zinc/22/16/38/751221638.db2.gz DWHOBZSNJMXMDT-IRXDYDNUSA-N 2 1 313.445 1.875 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032537687 751221643 /nfs/dbraw/zinc/22/16/43/751221643.db2.gz DWHOBZSNJMXMDT-IRXDYDNUSA-N 2 1 313.445 1.875 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035194617 751294329 /nfs/dbraw/zinc/29/43/29/751294329.db2.gz WEPIYHSQRMTPFB-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194617 751294333 /nfs/dbraw/zinc/29/43/33/751294333.db2.gz WEPIYHSQRMTPFB-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001035194617 751294335 /nfs/dbraw/zinc/29/43/35/751294335.db2.gz WEPIYHSQRMTPFB-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001032666025 752673295 /nfs/dbraw/zinc/67/32/95/752673295.db2.gz RXJLFLIRHODLHH-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511215 752774098 /nfs/dbraw/zinc/77/40/98/752774098.db2.gz VFRMOHUZCOCXDQ-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511215 752774101 /nfs/dbraw/zinc/77/41/01/752774101.db2.gz VFRMOHUZCOCXDQ-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008511215 752774106 /nfs/dbraw/zinc/77/41/06/752774106.db2.gz VFRMOHUZCOCXDQ-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008511215 752774113 /nfs/dbraw/zinc/77/41/13/752774113.db2.gz VFRMOHUZCOCXDQ-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000999407742 752896384 /nfs/dbraw/zinc/89/63/84/752896384.db2.gz FVEJVPZCFKXJSO-QQFBHYJXSA-N 2 1 316.449 1.909 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001009043416 753047182 /nfs/dbraw/zinc/04/71/82/753047182.db2.gz BFXRDTLSMSTAIH-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005891561 753321276 /nfs/dbraw/zinc/32/12/76/753321276.db2.gz PIUSFIHFBNCSQT-OAHLLOKOSA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107996636 753385252 /nfs/dbraw/zinc/38/52/52/753385252.db2.gz DBKDUOVOGAXBAF-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996636 753385254 /nfs/dbraw/zinc/38/52/54/753385254.db2.gz DBKDUOVOGAXBAF-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107996636 753385255 /nfs/dbraw/zinc/38/52/55/753385255.db2.gz DBKDUOVOGAXBAF-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078725413 754320257 /nfs/dbraw/zinc/32/02/57/754320257.db2.gz NMJAQQABKODRDL-LSDHHAIUSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001079698181 755534578 /nfs/dbraw/zinc/53/45/78/755534578.db2.gz NKDWQNXCOSQEKD-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015910632 756644134 /nfs/dbraw/zinc/64/41/34/756644134.db2.gz FLBOZWAFECELTE-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001015910632 756644139 /nfs/dbraw/zinc/64/41/39/756644139.db2.gz FLBOZWAFECELTE-HNNXBMFYSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315742 757087080 /nfs/dbraw/zinc/08/70/80/757087080.db2.gz IQIVAGJKJZHPAX-ZACQAIPSSA-N 2 1 315.461 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCF)CC2 ZINC001016670734 757252686 /nfs/dbraw/zinc/25/26/86/757252686.db2.gz RRSSPFGEIVIUMQ-LSDHHAIUSA-N 2 1 307.413 1.024 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCF)CC2 ZINC001016670734 757252694 /nfs/dbraw/zinc/25/26/94/757252694.db2.gz RRSSPFGEIVIUMQ-LSDHHAIUSA-N 2 1 307.413 1.024 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC001119380555 757468576 /nfs/dbraw/zinc/46/85/76/757468576.db2.gz CEPWBPFOBQZQOX-GJZGRUSLSA-N 2 1 308.470 1.360 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC001119380555 757468584 /nfs/dbraw/zinc/46/85/84/757468584.db2.gz CEPWBPFOBQZQOX-GJZGRUSLSA-N 2 1 308.470 1.360 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001084344814 757501490 /nfs/dbraw/zinc/50/14/90/757501490.db2.gz IDQPXTUPKMJWRP-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001052763985 757739358 /nfs/dbraw/zinc/73/93/58/757739358.db2.gz KRBRVXDXANLSDE-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763985 757739365 /nfs/dbraw/zinc/73/93/65/757739365.db2.gz KRBRVXDXANLSDE-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001052763985 757739369 /nfs/dbraw/zinc/73/93/69/757739369.db2.gz KRBRVXDXANLSDE-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCC)C[C@H]32)CC1 ZINC001084850023 757981166 /nfs/dbraw/zinc/98/11/66/757981166.db2.gz FYBKTIKZJZJCPU-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017549221 758015449 /nfs/dbraw/zinc/01/54/49/758015449.db2.gz GBXOBBZWTCCQNQ-XDNAFOTISA-N 2 1 315.461 1.559 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017549221 758015455 /nfs/dbraw/zinc/01/54/55/758015455.db2.gz GBXOBBZWTCCQNQ-XDNAFOTISA-N 2 1 315.461 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017549221 758015463 /nfs/dbraw/zinc/01/54/63/758015463.db2.gz GBXOBBZWTCCQNQ-XDNAFOTISA-N 2 1 315.461 1.559 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001017621086 758090824 /nfs/dbraw/zinc/09/08/24/758090824.db2.gz ULUAQAMAIBZDFS-BBWFWOEESA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001084961033 758104604 /nfs/dbraw/zinc/10/46/04/758104604.db2.gz HAHWWXOUNBIKPQ-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001084961033 758104610 /nfs/dbraw/zinc/10/46/10/758104610.db2.gz HAHWWXOUNBIKPQ-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(C)C)[C@H]2C1 ZINC001084961033 758104614 /nfs/dbraw/zinc/10/46/14/758104614.db2.gz HAHWWXOUNBIKPQ-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(C)C)[C@H]2C1 ZINC001084961033 758104619 /nfs/dbraw/zinc/10/46/19/758104619.db2.gz HAHWWXOUNBIKPQ-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001017836191 758285386 /nfs/dbraw/zinc/28/53/86/758285386.db2.gz YCCPEOLPABGKHX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001017836191 758285395 /nfs/dbraw/zinc/28/53/95/758285395.db2.gz YCCPEOLPABGKHX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017836191 758285403 /nfs/dbraw/zinc/28/54/03/758285403.db2.gz YCCPEOLPABGKHX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001017836191 758285415 /nfs/dbraw/zinc/28/54/15/758285415.db2.gz YCCPEOLPABGKHX-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001245641 762693314 /nfs/dbraw/zinc/69/33/14/762693314.db2.gz QBUBOJIMIGXGQJ-DLBZAZTESA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001245641 762693316 /nfs/dbraw/zinc/69/33/16/762693316.db2.gz QBUBOJIMIGXGQJ-DLBZAZTESA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001245641 762693319 /nfs/dbraw/zinc/69/33/19/762693319.db2.gz QBUBOJIMIGXGQJ-DLBZAZTESA-N 2 1 303.450 1.938 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001085308881 759251987 /nfs/dbraw/zinc/25/19/87/759251987.db2.gz NFFUQGSMPUHQCK-BRWVUGGUSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085308881 759251989 /nfs/dbraw/zinc/25/19/89/759251989.db2.gz NFFUQGSMPUHQCK-BRWVUGGUSA-N 2 1 323.481 1.689 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054198556 759286002 /nfs/dbraw/zinc/28/60/02/759286002.db2.gz ZRCBZPVVQMIMDM-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198556 759286006 /nfs/dbraw/zinc/28/60/06/759286006.db2.gz ZRCBZPVVQMIMDM-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054198556 759286012 /nfs/dbraw/zinc/28/60/12/759286012.db2.gz ZRCBZPVVQMIMDM-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001253064 762699833 /nfs/dbraw/zinc/69/98/33/762699833.db2.gz OSPXGUNQPZAVLI-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001253064 762699836 /nfs/dbraw/zinc/69/98/36/762699836.db2.gz OSPXGUNQPZAVLI-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001253064 762699839 /nfs/dbraw/zinc/69/98/39/762699839.db2.gz OSPXGUNQPZAVLI-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000020061 761458922 /nfs/dbraw/zinc/45/89/22/761458922.db2.gz JNRZUSAMIPVTOU-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001000028172 761462545 /nfs/dbraw/zinc/46/25/45/761462545.db2.gz SDNMRFBNGRILMJ-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086456328 761639003 /nfs/dbraw/zinc/63/90/03/761639003.db2.gz BFEASZMIKAAIHK-JYJNAYRXSA-N 2 1 309.454 1.156 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404818 762832447 /nfs/dbraw/zinc/83/24/47/762832447.db2.gz MNEHMRJCTZWZEM-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041139796 762833846 /nfs/dbraw/zinc/83/38/46/762833846.db2.gz HLVMPFDRCDERID-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001001491395 762912389 /nfs/dbraw/zinc/91/23/89/762912389.db2.gz JEQAPHZFVIOONM-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC2CCC2)CC1 ZINC001001491395 762912392 /nfs/dbraw/zinc/91/23/92/762912392.db2.gz JEQAPHZFVIOONM-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357431 762978321 /nfs/dbraw/zinc/97/83/21/762978321.db2.gz HOSMINQXJDDUHZ-SJLPKXTDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001050124856 763176016 /nfs/dbraw/zinc/17/60/16/763176016.db2.gz NFZZQHZOGPTZRO-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001050124856 763176021 /nfs/dbraw/zinc/17/60/21/763176021.db2.gz NFZZQHZOGPTZRO-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001050124856 763176025 /nfs/dbraw/zinc/17/60/25/763176025.db2.gz NFZZQHZOGPTZRO-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001050124856 763176029 /nfs/dbraw/zinc/17/60/29/763176029.db2.gz NFZZQHZOGPTZRO-BBWFWOEESA-N 2 1 321.465 1.204 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041724603 763256725 /nfs/dbraw/zinc/25/67/25/763256725.db2.gz BRWXSAWNFRPDDX-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C2 ZINC001109361226 763603648 /nfs/dbraw/zinc/60/36/48/763603648.db2.gz OXQSXNXKGCUSDG-WCVJEAGWSA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)CC1 ZINC001050518000 763695506 /nfs/dbraw/zinc/69/55/06/763695506.db2.gz PDMBGZKAVVUXKF-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270973 763846770 /nfs/dbraw/zinc/84/67/70/763846770.db2.gz VGNSBEWLBOALCM-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042270973 763846780 /nfs/dbraw/zinc/84/67/80/763846780.db2.gz VGNSBEWLBOALCM-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109932926 764210296 /nfs/dbraw/zinc/21/02/96/764210296.db2.gz ZERZCDMXVWTLQG-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932926 764210299 /nfs/dbraw/zinc/21/02/99/764210299.db2.gz ZERZCDMXVWTLQG-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109932926 764210306 /nfs/dbraw/zinc/21/03/06/764210306.db2.gz ZERZCDMXVWTLQG-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001111552321 764285338 /nfs/dbraw/zinc/28/53/38/764285338.db2.gz CCDCXJPJDUUNQZ-MRXNPFEDSA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131692989 768276087 /nfs/dbraw/zinc/27/60/87/768276087.db2.gz MJICCLCOOKDNNO-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692989 768276089 /nfs/dbraw/zinc/27/60/89/768276089.db2.gz MJICCLCOOKDNNO-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692989 768276092 /nfs/dbraw/zinc/27/60/92/768276092.db2.gz MJICCLCOOKDNNO-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001044653440 765727471 /nfs/dbraw/zinc/72/74/71/765727471.db2.gz BSQUHKWHNHVNEQ-UONOGXRCSA-N 2 1 320.437 1.895 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386801 765781283 /nfs/dbraw/zinc/78/12/83/765781283.db2.gz SFSPPGSBSNNMMG-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001113536457 765820293 /nfs/dbraw/zinc/82/02/93/765820293.db2.gz RENOMULRBQMHCR-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CCC2)CC1 ZINC001052459416 765848441 /nfs/dbraw/zinc/84/84/41/765848441.db2.gz NQBXPWQHQHQGFW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001052459416 765848444 /nfs/dbraw/zinc/84/84/44/765848444.db2.gz NQBXPWQHQHQGFW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052459416 765848451 /nfs/dbraw/zinc/84/84/51/765848451.db2.gz NQBXPWQHQHQGFW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CCC2)CC1 ZINC001052459416 765848458 /nfs/dbraw/zinc/84/84/58/765848458.db2.gz NQBXPWQHQHQGFW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCC=C)CC1 ZINC001052459466 765848877 /nfs/dbraw/zinc/84/88/77/765848877.db2.gz OMUKDOBXMDHROZ-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCC=C)CC1 ZINC001052459466 765848886 /nfs/dbraw/zinc/84/88/86/765848886.db2.gz OMUKDOBXMDHROZ-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC=C)CC1 ZINC001052459466 765848894 /nfs/dbraw/zinc/84/88/94/765848894.db2.gz OMUKDOBXMDHROZ-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCC=C)CC1 ZINC001052459466 765848903 /nfs/dbraw/zinc/84/89/03/765848903.db2.gz OMUKDOBXMDHROZ-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052513306 765906962 /nfs/dbraw/zinc/90/69/62/765906962.db2.gz AGZWLCCNETXNQW-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052513306 765906966 /nfs/dbraw/zinc/90/69/66/765906966.db2.gz AGZWLCCNETXNQW-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045920852 766701049 /nfs/dbraw/zinc/70/10/49/766701049.db2.gz BUHXWMMJDVXWKG-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045920852 766701051 /nfs/dbraw/zinc/70/10/51/766701051.db2.gz BUHXWMMJDVXWKG-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045920852 766701054 /nfs/dbraw/zinc/70/10/54/766701054.db2.gz BUHXWMMJDVXWKG-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409287 768458632 /nfs/dbraw/zinc/45/86/32/768458632.db2.gz QYSLXJANLDLVBX-IKGGRYGDSA-N 2 1 321.465 1.083 20 30 DDEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047409287 768458636 /nfs/dbraw/zinc/45/86/36/768458636.db2.gz QYSLXJANLDLVBX-IKGGRYGDSA-N 2 1 321.465 1.083 20 30 DDEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001047409287 768458639 /nfs/dbraw/zinc/45/86/39/768458639.db2.gz QYSLXJANLDLVBX-IKGGRYGDSA-N 2 1 321.465 1.083 20 30 DDEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001047409287 768458642 /nfs/dbraw/zinc/45/86/42/768458642.db2.gz QYSLXJANLDLVBX-IKGGRYGDSA-N 2 1 321.465 1.083 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CN(C)CCO1)C2 ZINC001048511349 769471254 /nfs/dbraw/zinc/47/12/54/769471254.db2.gz AUMSMRUAEYAGQJ-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001048511349 769471259 /nfs/dbraw/zinc/47/12/59/769471259.db2.gz AUMSMRUAEYAGQJ-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001048511349 769471268 /nfs/dbraw/zinc/47/12/68/769471268.db2.gz AUMSMRUAEYAGQJ-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048511349 769471275 /nfs/dbraw/zinc/47/12/75/769471275.db2.gz AUMSMRUAEYAGQJ-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001048511349 769471282 /nfs/dbraw/zinc/47/12/82/769471282.db2.gz AUMSMRUAEYAGQJ-YYIAUSFCSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071508051 769530220 /nfs/dbraw/zinc/53/02/20/769530220.db2.gz HIIAXMBFIAGMSD-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@H]1C ZINC001071508051 769530224 /nfs/dbraw/zinc/53/02/24/769530224.db2.gz HIIAXMBFIAGMSD-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C ZINC001071606332 769703663 /nfs/dbraw/zinc/70/36/63/769703663.db2.gz HYHCJKGRRXNLMQ-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC)C2)CC1 ZINC001072095538 770536243 /nfs/dbraw/zinc/53/62/43/770536243.db2.gz KDXAHSRDXMARQO-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC=C)C2)CC1 ZINC001072099713 770541132 /nfs/dbraw/zinc/54/11/32/770541132.db2.gz WJMHRAZGRBPLTE-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049235924 770583463 /nfs/dbraw/zinc/58/34/63/770583463.db2.gz YKGTYGQWXBHIPV-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001086720929 770858388 /nfs/dbraw/zinc/85/83/88/770858388.db2.gz VUDPTCGOBJABPC-BBWFWOEESA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC2)C1 ZINC001086720929 770858403 /nfs/dbraw/zinc/85/84/03/770858403.db2.gz VUDPTCGOBJABPC-BBWFWOEESA-N 2 1 303.450 1.369 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049484358 770916123 /nfs/dbraw/zinc/91/61/23/770916123.db2.gz GEWMSLNAPBNALZ-QBPKDAKJSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049484358 770916127 /nfs/dbraw/zinc/91/61/27/770916127.db2.gz GEWMSLNAPBNALZ-QBPKDAKJSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049484358 770916133 /nfs/dbraw/zinc/91/61/33/770916133.db2.gz GEWMSLNAPBNALZ-QBPKDAKJSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049524479 770975585 /nfs/dbraw/zinc/97/55/85/770975585.db2.gz MLQUMLMURDQAJF-BBWFWOEESA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001049839680 771198541 /nfs/dbraw/zinc/19/85/41/771198541.db2.gz JQSDACPEMICTTD-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001049839680 771198543 /nfs/dbraw/zinc/19/85/43/771198543.db2.gz JQSDACPEMICTTD-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001049839680 771198546 /nfs/dbraw/zinc/19/85/46/771198546.db2.gz JQSDACPEMICTTD-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001098509620 771392773 /nfs/dbraw/zinc/39/27/73/771392773.db2.gz UJFVSNJQRZLNQY-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001091231884 772630426 /nfs/dbraw/zinc/63/04/26/772630426.db2.gz DDOACDSQXISBOF-SHARSMKWSA-N 2 1 302.422 1.424 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627391 773236838 /nfs/dbraw/zinc/23/68/38/773236838.db2.gz RCGPWLNULUWVTQ-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627391 773236841 /nfs/dbraw/zinc/23/68/41/773236841.db2.gz RCGPWLNULUWVTQ-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627391 773236847 /nfs/dbraw/zinc/23/68/47/773236847.db2.gz RCGPWLNULUWVTQ-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073633805 773246678 /nfs/dbraw/zinc/24/66/78/773246678.db2.gz HLJHUSLMAMGHNN-CABCVRRESA-N 2 1 318.421 1.154 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001073633805 773246683 /nfs/dbraw/zinc/24/66/83/773246683.db2.gz HLJHUSLMAMGHNN-CABCVRRESA-N 2 1 318.421 1.154 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001147842898 773266172 /nfs/dbraw/zinc/26/61/72/773266172.db2.gz DDHMZPZZSNKXLW-INIZCTEOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899284 773510086 /nfs/dbraw/zinc/51/00/86/773510086.db2.gz PMZVANVXBJWDIJ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899284 773510091 /nfs/dbraw/zinc/51/00/91/773510091.db2.gz PMZVANVXBJWDIJ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899284 773510095 /nfs/dbraw/zinc/51/00/95/773510095.db2.gz PMZVANVXBJWDIJ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148551305 773521990 /nfs/dbraw/zinc/52/19/90/773521990.db2.gz ISBLHOOUABLHGC-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551305 773521993 /nfs/dbraw/zinc/52/19/93/773521993.db2.gz ISBLHOOUABLHGC-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148551305 773521996 /nfs/dbraw/zinc/52/19/96/773521996.db2.gz ISBLHOOUABLHGC-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738477 773554880 /nfs/dbraw/zinc/55/48/80/773554880.db2.gz ZVNXSRLIGGRKLY-NUJGCVRESA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013298 773920997 /nfs/dbraw/zinc/92/09/97/773920997.db2.gz MNNZQRYQIVYGCJ-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013298 773920999 /nfs/dbraw/zinc/92/09/99/773920999.db2.gz MNNZQRYQIVYGCJ-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013298 773921005 /nfs/dbraw/zinc/92/10/05/773921005.db2.gz MNNZQRYQIVYGCJ-NUJGCVRESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275913 774040482 /nfs/dbraw/zinc/04/04/82/774040482.db2.gz WNBGIQZYNMFWES-ZBFHGGJFSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275913 774040488 /nfs/dbraw/zinc/04/04/88/774040488.db2.gz WNBGIQZYNMFWES-ZBFHGGJFSA-N 2 1 311.857 1.615 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773893 774270284 /nfs/dbraw/zinc/27/02/84/774270284.db2.gz YFLLEDQGCKUTRN-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001099115979 774845715 /nfs/dbraw/zinc/84/57/15/774845715.db2.gz MGSOPGIBBCUCST-HOTGVXAUSA-N 2 1 307.482 1.813 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099198439 774896437 /nfs/dbraw/zinc/89/64/37/774896437.db2.gz AUXPAWQWIZDMDA-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC[NH+](C)C)C1 ZINC001099519218 775014523 /nfs/dbraw/zinc/01/45/23/775014523.db2.gz GNOIOXKEOUVNIM-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110153658 775459892 /nfs/dbraw/zinc/45/98/92/775459892.db2.gz FUYWZEPFSCNLBG-IKGGRYGDSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100033362 775596941 /nfs/dbraw/zinc/59/69/41/775596941.db2.gz DCHNJRVWCPBHOE-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100033362 775596949 /nfs/dbraw/zinc/59/69/49/775596949.db2.gz DCHNJRVWCPBHOE-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419007 775847469 /nfs/dbraw/zinc/84/74/69/775847469.db2.gz KWUCTRQFEVXENV-YFHUEUNASA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419007 775847476 /nfs/dbraw/zinc/84/74/76/775847476.db2.gz KWUCTRQFEVXENV-YFHUEUNASA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001094419007 775847481 /nfs/dbraw/zinc/84/74/81/775847481.db2.gz KWUCTRQFEVXENV-YFHUEUNASA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001100403635 776104798 /nfs/dbraw/zinc/10/47/98/776104798.db2.gz UGQMNZXRGWIUNW-AQFXKWCLSA-N 2 1 305.466 1.472 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605471 776357858 /nfs/dbraw/zinc/35/78/58/776357858.db2.gz DKTJBAUWCZIKDY-GPANFISMSA-N 2 1 309.454 1.156 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001094962392 776909360 /nfs/dbraw/zinc/90/93/60/776909360.db2.gz RKLTXYAJKURASW-XHSDSOJGSA-N 2 1 302.422 1.737 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194639 777209600 /nfs/dbraw/zinc/20/96/00/777209600.db2.gz UYGNMXLQXCMQSO-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430463 778134091 /nfs/dbraw/zinc/13/40/91/778134091.db2.gz RHYFNACPTAFDBR-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CCN1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124179 778436137 /nfs/dbraw/zinc/43/61/37/778436137.db2.gz HVPKCWMUHXKWDZ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@H]21 ZINC001177124179 778436141 /nfs/dbraw/zinc/43/61/41/778436141.db2.gz HVPKCWMUHXKWDZ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001177124179 778436143 /nfs/dbraw/zinc/43/61/43/778436143.db2.gz HVPKCWMUHXKWDZ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124179 778436149 /nfs/dbraw/zinc/43/61/49/778436149.db2.gz HVPKCWMUHXKWDZ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@H]21 ZINC001177124179 778436152 /nfs/dbraw/zinc/43/61/52/778436152.db2.gz HVPKCWMUHXKWDZ-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C)[NH+](C)C ZINC001103139951 778662603 /nfs/dbraw/zinc/66/26/03/778662603.db2.gz FUSQGAHPXYITGJ-BRWVUGGUSA-N 2 1 323.481 1.051 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112071043 779613542 /nfs/dbraw/zinc/61/35/42/779613542.db2.gz OWQKONBYIOBZOC-JHJVBQTASA-N 2 1 317.355 1.083 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC001180369746 779751873 /nfs/dbraw/zinc/75/18/73/779751873.db2.gz VIDSJPIFHYKPCZ-UHFFFAOYSA-N 2 1 311.470 1.243 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115242819 779972647 /nfs/dbraw/zinc/97/26/47/779972647.db2.gz CSAKUHJTONFWII-MKVSYHDVSA-N 2 1 302.422 1.593 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C ZINC001115242819 779972654 /nfs/dbraw/zinc/97/26/54/779972654.db2.gz CSAKUHJTONFWII-MKVSYHDVSA-N 2 1 302.422 1.593 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C)CC1 ZINC001119643919 781546452 /nfs/dbraw/zinc/54/64/52/781546452.db2.gz QNSLNJHFALEEIV-UHFFFAOYSA-N 2 1 323.400 1.403 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001328732554 863179393 /nfs/dbraw/zinc/17/93/93/863179393.db2.gz HVVONIQWKMNUGR-IRXDYDNUSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001271779025 844105055 /nfs/dbraw/zinc/10/50/55/844105055.db2.gz SDSMAMGWKJPOLJ-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH2+][C@@H](CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001282568843 836170517 /nfs/dbraw/zinc/17/05/17/836170517.db2.gz PJJJJYGWEZANRE-SJORKVTESA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC(C)(C)C)CC1 ZINC001266362624 836175137 /nfs/dbraw/zinc/17/51/37/836175137.db2.gz NZFGXSJYAYICHB-UHFFFAOYSA-N 2 1 307.482 1.816 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001266495575 836348845 /nfs/dbraw/zinc/34/88/45/836348845.db2.gz PEOZCTYDCNXTHW-QGZVFWFLSA-N 2 1 305.466 1.856 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267061765 837271160 /nfs/dbraw/zinc/27/11/60/837271160.db2.gz SGYOWKHAGDLMQZ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001328732554 863179399 /nfs/dbraw/zinc/17/93/99/863179399.db2.gz HVVONIQWKMNUGR-IRXDYDNUSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001328732554 863179404 /nfs/dbraw/zinc/17/94/04/863179404.db2.gz HVVONIQWKMNUGR-IRXDYDNUSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001267568585 838323002 /nfs/dbraw/zinc/32/30/02/838323002.db2.gz KUCDZAJIPNZTNS-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267586438 838370954 /nfs/dbraw/zinc/37/09/54/838370954.db2.gz RMOBTMIMPIVQLA-CQSZACIVSA-N 2 1 318.421 1.153 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267586438 838370963 /nfs/dbraw/zinc/37/09/63/838370963.db2.gz RMOBTMIMPIVQLA-CQSZACIVSA-N 2 1 318.421 1.153 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(CC)CC ZINC001268068662 839643682 /nfs/dbraw/zinc/64/36/82/839643682.db2.gz NZYGAAARTWGOLT-RDJZCZTQSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(CC)CC ZINC001268068662 839643688 /nfs/dbraw/zinc/64/36/88/839643688.db2.gz NZYGAAARTWGOLT-RDJZCZTQSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001268222335 839854472 /nfs/dbraw/zinc/85/44/72/839854472.db2.gz YIGDRJUJKCIDQO-SJORKVTESA-N 2 1 307.482 1.862 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC[C@H](C)F)CC1 ZINC001268259138 839907963 /nfs/dbraw/zinc/90/79/63/839907963.db2.gz IHFFOHWWRJQUDY-HNNXBMFYSA-N 2 1 311.445 1.470 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001269744622 841997681 /nfs/dbraw/zinc/99/76/81/841997681.db2.gz FRMCCTPVYYYPMI-SFHVURJKSA-N 2 1 303.450 1.420 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269785183 842046190 /nfs/dbraw/zinc/04/61/90/842046190.db2.gz LGYBBAABTVIITR-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001270528015 842643406 /nfs/dbraw/zinc/64/34/06/842643406.db2.gz BESZDWSWKJMBOW-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001270528015 842643409 /nfs/dbraw/zinc/64/34/09/842643409.db2.gz BESZDWSWKJMBOW-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+](C)C(C)C)CC2)C1 ZINC001270528015 842643414 /nfs/dbraw/zinc/64/34/14/842643414.db2.gz BESZDWSWKJMBOW-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808185 847459128 /nfs/dbraw/zinc/45/91/28/847459128.db2.gz HIYUBDGFUJUFBH-QGZVFWFLSA-N 2 1 300.406 1.495 20 30 DDEDMP C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001272808185 847459130 /nfs/dbraw/zinc/45/91/30/847459130.db2.gz HIYUBDGFUJUFBH-QGZVFWFLSA-N 2 1 300.406 1.495 20 30 DDEDMP C=C(C)CN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273031231 847814426 /nfs/dbraw/zinc/81/44/26/847814426.db2.gz VKBHBXHYODYRRO-SFHVURJKSA-N 2 1 319.449 1.403 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034210766 848117312 /nfs/dbraw/zinc/11/73/12/848117312.db2.gz JKODQGDJAPDZOJ-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034212628 848118575 /nfs/dbraw/zinc/11/85/75/848118575.db2.gz ZGOZTBALWPGYID-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034212628 848118582 /nfs/dbraw/zinc/11/85/82/848118582.db2.gz ZGOZTBALWPGYID-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001034365355 848421923 /nfs/dbraw/zinc/42/19/23/848421923.db2.gz ZXBKEVFJWVRMBR-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365355 848421927 /nfs/dbraw/zinc/42/19/27/848421927.db2.gz ZXBKEVFJWVRMBR-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365355 848421930 /nfs/dbraw/zinc/42/19/30/848421930.db2.gz ZXBKEVFJWVRMBR-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365355 848421935 /nfs/dbraw/zinc/42/19/35/848421935.db2.gz ZXBKEVFJWVRMBR-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCNC(=O)[C@H]1CC12CC[NH+](C[C@H]1CCC[N@H+](C)C1)CC2 ZINC001273145504 848576912 /nfs/dbraw/zinc/57/69/12/848576912.db2.gz WXXUREJTZDDTAN-JKSUJKDBSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001327171206 861941638 /nfs/dbraw/zinc/94/16/38/861941638.db2.gz CJZDNCVNTUEIPE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001327171206 861941645 /nfs/dbraw/zinc/94/16/45/861941645.db2.gz CJZDNCVNTUEIPE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001327171206 861941656 /nfs/dbraw/zinc/94/16/56/861941656.db2.gz CJZDNCVNTUEIPE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001327171206 861941668 /nfs/dbraw/zinc/94/16/68/861941668.db2.gz CJZDNCVNTUEIPE-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001327173784 861942969 /nfs/dbraw/zinc/94/29/69/861942969.db2.gz TXLLOMFHQBYWHW-KRWDZBQOSA-N 2 1 305.466 1.856 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001149881767 861961382 /nfs/dbraw/zinc/96/13/82/861961382.db2.gz RLZYGGWLKLYMGS-CVEARBPZSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001149936349 861981026 /nfs/dbraw/zinc/98/10/26/861981026.db2.gz CNHYQJJNENBPBB-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936349 861981033 /nfs/dbraw/zinc/98/10/33/861981033.db2.gz CNHYQJJNENBPBB-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001149936349 861981039 /nfs/dbraw/zinc/98/10/39/861981039.db2.gz CNHYQJJNENBPBB-OAHLLOKOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001327298347 862043604 /nfs/dbraw/zinc/04/36/04/862043604.db2.gz GJVBXGCWISXBHF-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001410958472 850020483 /nfs/dbraw/zinc/02/04/83/850020483.db2.gz PVXSHWNTWOXMJO-ZIAGYGMSSA-N 2 1 310.829 1.819 20 30 DDEDMP C#CCC[NH2+]C/C=C/CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001274154795 851980674 /nfs/dbraw/zinc/98/06/74/851980674.db2.gz VFEKMNHFWMNAEA-MDZDMXLPSA-N 2 1 305.466 1.925 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001275121939 852822599 /nfs/dbraw/zinc/82/25/99/852822599.db2.gz SVQOADYFQRWDAC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001275121939 852822602 /nfs/dbraw/zinc/82/26/02/852822602.db2.gz SVQOADYFQRWDAC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001275121939 852822604 /nfs/dbraw/zinc/82/26/04/852822604.db2.gz SVQOADYFQRWDAC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#Cc1ccc(C[NH+]2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](C)C[C@H]23)cc1 ZINC001275132063 852828445 /nfs/dbraw/zinc/82/84/45/852828445.db2.gz NKHTXNFHEJADMW-QZTJIDSGSA-N 2 1 323.440 1.310 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001279195016 853488276 /nfs/dbraw/zinc/48/82/76/853488276.db2.gz VTRYHTCYBPQHLV-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275779678 853733353 /nfs/dbraw/zinc/73/33/53/853733353.db2.gz GBZIFVYHWHGFAI-HZPDHXFCSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nocc1C ZINC001276053464 854678455 /nfs/dbraw/zinc/67/84/55/854678455.db2.gz XILHUMPUGKOHAF-INIZCTEOSA-N 2 1 318.421 1.019 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1nocc1C ZINC001276053464 854678457 /nfs/dbraw/zinc/67/84/57/854678457.db2.gz XILHUMPUGKOHAF-INIZCTEOSA-N 2 1 318.421 1.019 20 30 DDEDMP C#Cc1cccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c1 ZINC001276096811 854761687 /nfs/dbraw/zinc/76/16/87/854761687.db2.gz PAFBBOWEHIWWFM-KDURUIRLSA-N 2 1 313.445 1.115 20 30 DDEDMP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001328018475 862637862 /nfs/dbraw/zinc/63/78/62/862637862.db2.gz UHTISRAAVXWXMS-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049567738 856986351 /nfs/dbraw/zinc/98/63/51/856986351.db2.gz OCDBZRKGNUPPHX-JKSUJKDBSA-N 2 1 301.434 1.313 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001049569318 856990767 /nfs/dbraw/zinc/99/07/67/856990767.db2.gz YKWMNQHSGVAFCC-JKSUJKDBSA-N 2 1 303.450 1.866 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813213 857741087 /nfs/dbraw/zinc/74/10/87/857741087.db2.gz IQRQCRKYAKMDEP-MRXNPFEDSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001072882766 857838686 /nfs/dbraw/zinc/83/86/86/857838686.db2.gz OSFRKUBPTPXRHB-UHFFFAOYSA-N 2 1 322.412 1.814 20 30 DDEDMP C#CC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001121903502 858627036 /nfs/dbraw/zinc/62/70/36/858627036.db2.gz HQXOBISKFJBJTH-INIZCTEOSA-N 2 1 313.445 1.758 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001328732554 863179388 /nfs/dbraw/zinc/17/93/88/863179388.db2.gz HVVONIQWKMNUGR-IRXDYDNUSA-N 2 1 301.434 1.030 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001325899798 860936783 /nfs/dbraw/zinc/93/67/83/860936783.db2.gz RGFLYMMQYPUBMX-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC=C)CC1 ZINC001227848715 883199968 /nfs/dbraw/zinc/19/99/68/883199968.db2.gz AUQFUKVBLCKCMV-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCC=C)CC1 ZINC001227848715 883199973 /nfs/dbraw/zinc/19/99/73/883199973.db2.gz AUQFUKVBLCKCMV-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001157702490 864060938 /nfs/dbraw/zinc/06/09/38/864060938.db2.gz UXKSWKAMENUEPW-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001157702490 864060954 /nfs/dbraw/zinc/06/09/54/864060954.db2.gz UXKSWKAMENUEPW-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001157702490 864060967 /nfs/dbraw/zinc/06/09/67/864060967.db2.gz UXKSWKAMENUEPW-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001330262485 864196469 /nfs/dbraw/zinc/19/64/69/864196469.db2.gz LEFCLCHHTWXWSH-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605468 864756328 /nfs/dbraw/zinc/75/63/28/864756328.db2.gz ZCDKEBMVZZPIKT-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001158605468 864756331 /nfs/dbraw/zinc/75/63/31/864756331.db2.gz ZCDKEBMVZZPIKT-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001332024039 865511664 /nfs/dbraw/zinc/51/16/64/865511664.db2.gz BORISYXHGIRSNW-CVEARBPZSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC(F)(F)F ZINC001160209529 865730862 /nfs/dbraw/zinc/73/08/62/865730862.db2.gz OZDRVXMVZMZKJJ-LBPRGKRZSA-N 2 1 305.344 1.132 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC(F)(F)F ZINC001160209529 865730873 /nfs/dbraw/zinc/73/08/73/865730873.db2.gz OZDRVXMVZMZKJJ-LBPRGKRZSA-N 2 1 305.344 1.132 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001160352522 865793723 /nfs/dbraw/zinc/79/37/23/865793723.db2.gz KCRVQELZHAFURF-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352522 865793728 /nfs/dbraw/zinc/79/37/28/865793728.db2.gz KCRVQELZHAFURF-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001160352522 865793732 /nfs/dbraw/zinc/79/37/32/865793732.db2.gz KCRVQELZHAFURF-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP N#Cc1c2c(cnc1N[C@@]1(C[NH3+])C[NH+]3CCC1CC3)CCCC2 ZINC001160518860 865904946 /nfs/dbraw/zinc/90/49/46/865904946.db2.gz IQNIAAZUCIKGJB-SFHVURJKSA-N 2 1 311.433 1.667 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786615 866117689 /nfs/dbraw/zinc/11/76/89/866117689.db2.gz AMQIJHLVLBBHPZ-SFHVURJKSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319748954 866269259 /nfs/dbraw/zinc/26/92/59/866269259.db2.gz BKGULTZFFAUHTP-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001161033186 866297689 /nfs/dbraw/zinc/29/76/89/866297689.db2.gz PCSLUIVOOQJWSB-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001161189702 866432926 /nfs/dbraw/zinc/43/29/26/866432926.db2.gz XYGFRFMPOGPOLT-HNNXBMFYSA-N 2 1 312.417 1.601 20 30 DDEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001324936312 867642599 /nfs/dbraw/zinc/64/25/99/867642599.db2.gz LJHKZDDRWNAJPU-NUJGCVRESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001324936312 867642610 /nfs/dbraw/zinc/64/26/10/867642610.db2.gz LJHKZDDRWNAJPU-NUJGCVRESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001324936312 867642619 /nfs/dbraw/zinc/64/26/19/867642619.db2.gz LJHKZDDRWNAJPU-NUJGCVRESA-N 2 1 305.466 1.568 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)C#N ZINC001361717914 882222877 /nfs/dbraw/zinc/22/28/77/882222877.db2.gz NUDHEWVTKLYXHP-OAHLLOKOSA-N 2 1 308.470 1.801 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940726 868810352 /nfs/dbraw/zinc/81/03/52/868810352.db2.gz PIPURYJPTKKWOE-HZPDHXFCSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940726 868810368 /nfs/dbraw/zinc/81/03/68/868810368.db2.gz PIPURYJPTKKWOE-HZPDHXFCSA-N 2 1 323.481 1.548 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC001336785478 869140369 /nfs/dbraw/zinc/14/03/69/869140369.db2.gz OIZDYZUDAIUXDO-MRXNPFEDSA-N 2 1 322.474 1.703 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001338493328 870012369 /nfs/dbraw/zinc/01/23/69/870012369.db2.gz ZNFFWKVKDKZLPH-KRWDZBQOSA-N 2 1 317.389 1.706 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001166633858 870116337 /nfs/dbraw/zinc/11/63/37/870116337.db2.gz LKCWJAMEZZQNPK-OAHLLOKOSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001317049638 870166117 /nfs/dbraw/zinc/16/61/17/870166117.db2.gz LPTKMCAIAXSNPW-IYBDPMFKSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001317049638 870166125 /nfs/dbraw/zinc/16/61/25/870166125.db2.gz LPTKMCAIAXSNPW-IYBDPMFKSA-N 2 1 302.422 1.833 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001166709208 870180119 /nfs/dbraw/zinc/18/01/19/870180119.db2.gz YJMYBKFWIKLVPU-RHSMWYFYSA-N 2 1 314.433 1.352 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001317193372 870447613 /nfs/dbraw/zinc/44/76/13/870447613.db2.gz PVFYQYVVEDZICV-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001317426936 870812072 /nfs/dbraw/zinc/81/20/72/870812072.db2.gz KQLVKXILRIERKE-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317426936 870812086 /nfs/dbraw/zinc/81/20/86/870812086.db2.gz KQLVKXILRIERKE-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317426936 870812094 /nfs/dbraw/zinc/81/20/94/870812094.db2.gz KQLVKXILRIERKE-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001317590185 871153861 /nfs/dbraw/zinc/15/38/61/871153861.db2.gz XBTJLFZOIPUFBI-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205242014 871453021 /nfs/dbraw/zinc/45/30/21/871453021.db2.gz LKWFYRWWDGLOSX-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001205518712 871603934 /nfs/dbraw/zinc/60/39/34/871603934.db2.gz IJSFUNHPOXFXNW-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317949911 871647982 /nfs/dbraw/zinc/64/79/82/871647982.db2.gz NMLDGLGDFNFVLZ-CVEARBPZSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001205594372 871648940 /nfs/dbraw/zinc/64/89/40/871648940.db2.gz QMVWHNJCWQKSSH-KRWDZBQOSA-N 2 1 305.466 1.568 20 30 DDEDMP Cn1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c2cc(C#N)ccc21 ZINC001205725792 871752348 /nfs/dbraw/zinc/75/23/48/871752348.db2.gz LJFUULLBNDYSQB-SFHVURJKSA-N 2 1 312.417 1.726 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CC#CCOC)C1 ZINC001318846329 872301221 /nfs/dbraw/zinc/30/12/21/872301221.db2.gz SNLFMWSREIKQMR-QGZVFWFLSA-N 2 1 323.481 1.196 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001316924819 872385515 /nfs/dbraw/zinc/38/55/15/872385515.db2.gz DQFRGFHACPTXHB-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH2+]C[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001319247599 872517568 /nfs/dbraw/zinc/51/75/68/872517568.db2.gz XRJGREKEQYZYQW-ZDUSSCGKSA-N 2 1 306.410 1.412 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001206930087 872791292 /nfs/dbraw/zinc/79/12/92/872791292.db2.gz RNHPVDCTCUTKKD-UHFFFAOYSA-N 2 1 320.437 1.222 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006811 872922329 /nfs/dbraw/zinc/92/23/29/872922329.db2.gz AYMWAWWRIXJBBV-OWCLPIDISA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207006811 872922332 /nfs/dbraw/zinc/92/23/32/872922332.db2.gz AYMWAWWRIXJBBV-OWCLPIDISA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001208334731 874023485 /nfs/dbraw/zinc/02/34/85/874023485.db2.gz LIWZWVSUZZLZQI-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515463 874932759 /nfs/dbraw/zinc/93/27/59/874932759.db2.gz XIKWMOFLABHHQX-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001209515463 874932761 /nfs/dbraw/zinc/93/27/61/874932761.db2.gz XIKWMOFLABHHQX-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001209689265 875057700 /nfs/dbraw/zinc/05/77/00/875057700.db2.gz JVAWIBWXWWOZHO-SFHVURJKSA-N 2 1 315.461 1.928 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001209697052 875060919 /nfs/dbraw/zinc/06/09/19/875060919.db2.gz CJWAXPZRDODYNF-IAGOWNOFSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001210214104 875270136 /nfs/dbraw/zinc/27/01/36/875270136.db2.gz SZRLCYSGDWERMV-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001220476370 879049165 /nfs/dbraw/zinc/04/91/65/879049165.db2.gz DQLQAVPCBNHYNO-BBWFWOEESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001220478935 879049553 /nfs/dbraw/zinc/04/95/53/879049553.db2.gz QOERREGJXODVEN-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001220478935 879049564 /nfs/dbraw/zinc/04/95/64/879049564.db2.gz QOERREGJXODVEN-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001220478935 879049572 /nfs/dbraw/zinc/04/95/72/879049572.db2.gz QOERREGJXODVEN-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001220829170 879293445 /nfs/dbraw/zinc/29/34/45/879293445.db2.gz LKGFWRHOKLFSKZ-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220829170 879293460 /nfs/dbraw/zinc/29/34/60/879293460.db2.gz LKGFWRHOKLFSKZ-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001220829170 879293474 /nfs/dbraw/zinc/29/34/74/879293474.db2.gz LKGFWRHOKLFSKZ-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877962 880129143 /nfs/dbraw/zinc/12/91/43/880129143.db2.gz UGGKLQKPHRNGSA-KURKYZTESA-N 2 1 319.493 1.909 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877962 880129147 /nfs/dbraw/zinc/12/91/47/880129147.db2.gz UGGKLQKPHRNGSA-KURKYZTESA-N 2 1 319.493 1.909 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799862 880704829 /nfs/dbraw/zinc/70/48/29/880704829.db2.gz QASPIDSEIBHURN-OAGGEKHMSA-N 2 1 311.445 1.775 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001230274982 884402252 /nfs/dbraw/zinc/40/22/52/884402252.db2.gz XFGGWVHTNQUUKY-BRWVUGGUSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001277528196 885710443 /nfs/dbraw/zinc/71/04/43/885710443.db2.gz IOMAEDOFPFYMTG-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001277528196 885710448 /nfs/dbraw/zinc/71/04/48/885710448.db2.gz IOMAEDOFPFYMTG-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001277528196 885710451 /nfs/dbraw/zinc/71/04/51/885710451.db2.gz IOMAEDOFPFYMTG-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC[NH+](CC)CCN1CCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232674230 886525826 /nfs/dbraw/zinc/52/58/26/886525826.db2.gz TZHUCQVOJOJYRQ-UHFFFAOYSA-N 2 1 316.449 1.723 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N2CCC([NH+](C)C)CC2)C1 ZINC001277779997 886860057 /nfs/dbraw/zinc/86/00/57/886860057.db2.gz YKSJAQRUCUYOMY-CRAIPNDOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246314660 892536417 /nfs/dbraw/zinc/53/64/17/892536417.db2.gz YHRCKAYFHYNBPB-XYJFISCASA-N 3 1 323.481 1.725 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278459058 892751795 /nfs/dbraw/zinc/75/17/95/892751795.db2.gz IAEVPEPKQXHXQV-JZXOWHBKSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001251818980 894822420 /nfs/dbraw/zinc/82/24/20/894822420.db2.gz DPDJUIJZUCHQQU-SFHVURJKSA-N 2 1 302.418 1.251 20 30 DDEDMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001278688268 895562965 /nfs/dbraw/zinc/56/29/65/895562965.db2.gz VYKYIEWEXMECGI-SFHVURJKSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001278688268 895562973 /nfs/dbraw/zinc/56/29/73/895562973.db2.gz VYKYIEWEXMECGI-SFHVURJKSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001278688268 895562980 /nfs/dbraw/zinc/56/29/80/895562980.db2.gz VYKYIEWEXMECGI-SFHVURJKSA-N 2 1 307.482 1.960 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]([N@@H+](C)Cc3ccco3)CO2)CC1 ZINC001253576517 895904020 /nfs/dbraw/zinc/90/40/20/895904020.db2.gz FOWKLWSDAQNVNG-JKSUJKDBSA-N 2 1 320.433 1.882 20 30 DDEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001254673748 896567623 /nfs/dbraw/zinc/56/76/23/896567623.db2.gz OGELFLWLGICARC-XJKSGUPXSA-N 2 1 304.438 1.340 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001367437386 896762247 /nfs/dbraw/zinc/76/22/47/896762247.db2.gz GYODYOLVQUVACD-OCCSQVGLSA-N 2 1 301.862 1.906 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367751615 897669287 /nfs/dbraw/zinc/66/92/87/897669287.db2.gz PDNFVJJEFSWMBQ-YOEHRIQHSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258727513 898300792 /nfs/dbraw/zinc/30/07/92/898300792.db2.gz FYIYNNJZGSDEQG-CYBMUJFWSA-N 2 1 320.437 1.679 20 30 DDEDMP C#CC[N@@H+](C[C@H](O)C(C)C)C1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC001262019519 899898157 /nfs/dbraw/zinc/89/81/57/899898157.db2.gz UOHBKNPDXVBKON-ROUUACIJSA-N 2 1 310.482 1.420 20 30 DDEDMP C#CC[N@H+](C[C@H](O)C(C)C)C1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC001262019519 899898166 /nfs/dbraw/zinc/89/81/66/899898166.db2.gz UOHBKNPDXVBKON-ROUUACIJSA-N 2 1 310.482 1.420 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(C#N)c1 ZINC001391013711 900688060 /nfs/dbraw/zinc/68/80/60/900688060.db2.gz ZGGOYKNHNYNHOW-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(C#N)c1 ZINC001391013711 900688065 /nfs/dbraw/zinc/68/80/65/900688065.db2.gz ZGGOYKNHNYNHOW-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(C#N)c1 ZINC001391013711 900688069 /nfs/dbraw/zinc/68/80/69/900688069.db2.gz ZGGOYKNHNYNHOW-QGZVFWFLSA-N 2 1 314.433 1.448 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001265164265 901650407 /nfs/dbraw/zinc/65/04/07/901650407.db2.gz AYUBZVBPKWWAGC-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001265164265 901650415 /nfs/dbraw/zinc/65/04/15/901650415.db2.gz AYUBZVBPKWWAGC-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001265164265 901650418 /nfs/dbraw/zinc/65/04/18/901650418.db2.gz AYUBZVBPKWWAGC-KRWDZBQOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001391661773 902278545 /nfs/dbraw/zinc/27/85/45/902278545.db2.gz KBXNMWNNPKGDJN-SJORKVTESA-N 2 1 314.433 1.637 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001265863931 902508102 /nfs/dbraw/zinc/50/81/02/902508102.db2.gz NWQGTDJVHKKMRE-OAHLLOKOSA-N 2 1 310.401 1.338 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001265987171 902713902 /nfs/dbraw/zinc/71/39/02/902713902.db2.gz UXSBFNVLVFMMNY-JBLNNTITSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001265987171 902713906 /nfs/dbraw/zinc/71/39/06/902713906.db2.gz UXSBFNVLVFMMNY-JBLNNTITSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266144572 903019316 /nfs/dbraw/zinc/01/93/16/903019316.db2.gz VISDSYSPKMRYCG-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC#CCOC)[NH+](C)C ZINC001279589294 903338598 /nfs/dbraw/zinc/33/85/98/903338598.db2.gz XJBFKFVMWPSXDY-IKGGRYGDSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001280197889 903543626 /nfs/dbraw/zinc/54/36/26/903543626.db2.gz LFWCNPYIRZQKCX-MAUKXSAKSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001280961853 904248389 /nfs/dbraw/zinc/24/83/89/904248389.db2.gz LGZPOTDITWTWGO-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001280961853 904248406 /nfs/dbraw/zinc/24/84/06/904248406.db2.gz LGZPOTDITWTWGO-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001371319043 904693411 /nfs/dbraw/zinc/69/34/11/904693411.db2.gz MJHNGZGPSVCYDE-YOEHRIQHSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001283528029 907544044 /nfs/dbraw/zinc/54/40/44/907544044.db2.gz AAFGWFWTJLWYPT-DOTOQJQBSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001283556754 907597978 /nfs/dbraw/zinc/59/79/78/907597978.db2.gz LPOKXMRAASZJCY-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001283556754 907597994 /nfs/dbraw/zinc/59/79/94/907597994.db2.gz LPOKXMRAASZJCY-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001375091868 914925255 /nfs/dbraw/zinc/92/52/55/914925255.db2.gz YZIBPIGEGLGRJT-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001375091868 914925263 /nfs/dbraw/zinc/92/52/63/914925263.db2.gz YZIBPIGEGLGRJT-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](C[NH+](C)Cc1ccc(C#N)cc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001375091868 914925272 /nfs/dbraw/zinc/92/52/72/914925272.db2.gz YZIBPIGEGLGRJT-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000151030611 539197086 /nfs/dbraw/zinc/19/70/86/539197086.db2.gz ZWTAKJKBISPMFO-ZBFHGGJFSA-N 2 1 324.469 1.045 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000151030611 539197088 /nfs/dbraw/zinc/19/70/88/539197088.db2.gz ZWTAKJKBISPMFO-ZBFHGGJFSA-N 2 1 324.469 1.045 20 30 DDEDMP C=CC(C)(C)CC[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000623593176 365948107 /nfs/dbraw/zinc/94/81/07/365948107.db2.gz XLZDWDRUEBIJKX-UHFFFAOYSA-N 2 1 303.454 1.920 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422117 781931512 /nfs/dbraw/zinc/93/15/12/781931512.db2.gz JODWMHMMOCVQBN-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccc(C#N)cc1)CCO2 ZINC000592183203 355527478 /nfs/dbraw/zinc/52/74/78/355527478.db2.gz SIQXKXQMWJKEET-UHFFFAOYSA-N 2 1 315.417 1.734 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1ccc(C#N)cc1)CCO2 ZINC000592183203 355527481 /nfs/dbraw/zinc/52/74/81/355527481.db2.gz SIQXKXQMWJKEET-UHFFFAOYSA-N 2 1 315.417 1.734 20 30 DDEDMP C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000599416527 357927397 /nfs/dbraw/zinc/92/73/97/357927397.db2.gz DIQQBNYWCOUWBG-WFVVYAPDSA-N 2 1 321.465 1.615 20 30 DDEDMP C[NH+](C[C@@H](O)CC1(C#N)CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000599416527 357927398 /nfs/dbraw/zinc/92/73/98/357927398.db2.gz DIQQBNYWCOUWBG-WFVVYAPDSA-N 2 1 321.465 1.615 20 30 DDEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600721369 358295404 /nfs/dbraw/zinc/29/54/04/358295404.db2.gz LNOSLGVWBHQGCR-CVEARBPZSA-N 2 1 309.454 1.379 20 30 DDEDMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000281372966 216255217 /nfs/dbraw/zinc/25/52/17/216255217.db2.gz OQCPSCTVJJKHCW-QGZVFWFLSA-N 2 1 317.433 1.716 20 30 DDEDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000281372966 216255219 /nfs/dbraw/zinc/25/52/19/216255219.db2.gz OQCPSCTVJJKHCW-QGZVFWFLSA-N 2 1 317.433 1.716 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCCC#N ZINC000341124222 285277630 /nfs/dbraw/zinc/27/76/30/285277630.db2.gz MTKIGZGMNZJEDX-INIZCTEOSA-N 2 1 323.485 1.738 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])Nc2ccccn2)cn1 ZINC000170912492 407552539 /nfs/dbraw/zinc/55/25/39/407552539.db2.gz QQOWODYIIYOPDG-UHFFFAOYSA-N 2 1 307.361 1.898 20 30 DDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170906967 407552642 /nfs/dbraw/zinc/55/26/42/407552642.db2.gz BRJSOHPCXGPWQV-CQSZACIVSA-N 2 1 304.442 1.082 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC[C@](C)(O)c1cccs1 ZINC000261758195 407603609 /nfs/dbraw/zinc/60/36/09/407603609.db2.gz OATCQFLRPUNZBZ-DOMZBBRYSA-N 2 1 310.467 1.072 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(C)c1 ZINC000268988608 408223785 /nfs/dbraw/zinc/22/37/85/408223785.db2.gz UDLJYHGIRHDBGD-HZPDHXFCSA-N 2 1 304.438 1.417 20 30 DDEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292146078 408989315 /nfs/dbraw/zinc/98/93/15/408989315.db2.gz NAIQKDPCKKINRR-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292146078 408989319 /nfs/dbraw/zinc/98/93/19/408989319.db2.gz NAIQKDPCKKINRR-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292146078 408989321 /nfs/dbraw/zinc/98/93/21/408989321.db2.gz NAIQKDPCKKINRR-GOSISDBHSA-N 2 1 312.417 1.914 20 30 DDEDMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000329536140 410347367 /nfs/dbraw/zinc/34/73/67/410347367.db2.gz ZXNVMAKQQHIHAT-RDBSUJKOSA-N 2 1 310.442 1.866 20 30 DDEDMP CC[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000329536140 410347375 /nfs/dbraw/zinc/34/73/75/410347375.db2.gz ZXNVMAKQQHIHAT-RDBSUJKOSA-N 2 1 310.442 1.866 20 30 DDEDMP CC[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000329536140 410347380 /nfs/dbraw/zinc/34/73/80/410347380.db2.gz ZXNVMAKQQHIHAT-RDBSUJKOSA-N 2 1 310.442 1.866 20 30 DDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CC[C@]3(CCOC3)C2)C1 ZINC000261959874 222264298 /nfs/dbraw/zinc/26/42/98/222264298.db2.gz JWBBYBSJWFOQGK-WBVHZDCISA-N 2 1 308.470 1.406 20 30 DDEDMP C[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CC[C@@]2(CCOC2)C1 ZINC000262025134 222271050 /nfs/dbraw/zinc/27/10/50/222271050.db2.gz ZNMBTSOTHGAVJA-XYJFISCASA-N 2 1 322.497 1.937 20 30 DDEDMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]CCN2C)[C@@H]1c1ccccc1 ZINC000262682593 222289842 /nfs/dbraw/zinc/28/98/42/222289842.db2.gz WYPAIFIRFWIILC-HOTGVXAUSA-N 2 1 302.422 1.339 20 30 DDEDMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]CCN2C)[C@@H]1c1ccccc1 ZINC000262682593 222289845 /nfs/dbraw/zinc/28/98/45/222289845.db2.gz WYPAIFIRFWIILC-HOTGVXAUSA-N 2 1 302.422 1.339 20 30 DDEDMP CC[N@@H+]1CCO[C@@H](CNC2=[NH+]C[C@H](C)N2)[C@@H]1c1ccccc1 ZINC000262687775 222290009 /nfs/dbraw/zinc/29/00/09/222290009.db2.gz ZCDQUMGYTKFCRY-BPUTZDHNSA-N 2 1 302.422 1.386 20 30 DDEDMP CC[N@H+]1CCO[C@@H](CNC2=[NH+]C[C@H](C)N2)[C@@H]1c1ccccc1 ZINC000262687775 222290014 /nfs/dbraw/zinc/29/00/14/222290014.db2.gz ZCDQUMGYTKFCRY-BPUTZDHNSA-N 2 1 302.422 1.386 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c2c(nn1C)CCCC2 ZINC000262687125 222290281 /nfs/dbraw/zinc/29/02/81/222290281.db2.gz VIVJLTSUMBTEJY-ZDUSSCGKSA-N 2 1 318.469 1.188 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](OC)c1ccccc1 ZINC000264083133 222314656 /nfs/dbraw/zinc/31/46/56/222314656.db2.gz IWSAVLUCQYVHSR-CVEARBPZSA-N 2 1 304.438 1.763 20 30 DDEDMP Cc1ccc(OCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264088971 222315829 /nfs/dbraw/zinc/31/58/29/222315829.db2.gz KNXKFNPHRKTWSL-UHFFFAOYSA-N 2 1 320.437 1.000 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000370022464 418739598 /nfs/dbraw/zinc/73/95/98/418739598.db2.gz WRNPDCVYQSCFPZ-DOTOQJQBSA-N 2 1 303.450 1.465 20 30 DDEDMP N#CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000411398531 418900324 /nfs/dbraw/zinc/90/03/24/418900324.db2.gz OZSUWBXFMXJONM-UHFFFAOYSA-N 2 1 306.454 1.604 20 30 DDEDMP C(#CC[N@H+]1CC[C@]2(CCOC2)C1)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000365292439 418849623 /nfs/dbraw/zinc/84/96/23/418849623.db2.gz RIADKDMEBAPTMW-ROUUACIJSA-N 2 1 304.434 1.215 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516781285 421567872 /nfs/dbraw/zinc/56/78/72/421567872.db2.gz GUMCNNHAZRLEBS-CQSZACIVSA-N 2 1 303.410 1.121 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC12CCSCC2 ZINC000263037255 276184058 /nfs/dbraw/zinc/18/40/58/276184058.db2.gz BXYHIZQKTSSIMO-KBPBESRZSA-N 2 1 310.511 1.908 20 30 DDEDMP C[N@@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]21 ZINC000330308615 277066350 /nfs/dbraw/zinc/06/63/50/277066350.db2.gz SXSFVSYDCMALAK-KFWWJZLASA-N 2 1 317.437 1.528 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]21 ZINC000330308615 277066351 /nfs/dbraw/zinc/06/63/51/277066351.db2.gz SXSFVSYDCMALAK-KFWWJZLASA-N 2 1 317.437 1.528 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681583 695061816 /nfs/dbraw/zinc/06/18/16/695061816.db2.gz FFNYYNYRKIUBNI-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681583 695061820 /nfs/dbraw/zinc/06/18/20/695061820.db2.gz FFNYYNYRKIUBNI-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681583 695061822 /nfs/dbraw/zinc/06/18/22/695061822.db2.gz FFNYYNYRKIUBNI-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972159162 695166741 /nfs/dbraw/zinc/16/67/41/695166741.db2.gz SLTIPTYMMMOFPH-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000972159162 695166743 /nfs/dbraw/zinc/16/67/43/695166743.db2.gz SLTIPTYMMMOFPH-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000972159162 695166744 /nfs/dbraw/zinc/16/67/44/695166744.db2.gz SLTIPTYMMMOFPH-MSOLQXFVSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000972389252 695237941 /nfs/dbraw/zinc/23/79/41/695237941.db2.gz JGHZIFBRQAZWQZ-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000972389252 695237943 /nfs/dbraw/zinc/23/79/43/695237943.db2.gz JGHZIFBRQAZWQZ-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389252 695237945 /nfs/dbraw/zinc/23/79/45/695237945.db2.gz JGHZIFBRQAZWQZ-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000972389252 695237947 /nfs/dbraw/zinc/23/79/47/695237947.db2.gz JGHZIFBRQAZWQZ-NUJGCVRESA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)CC2(C)C)CC1 ZINC000977635258 696241095 /nfs/dbraw/zinc/24/10/95/696241095.db2.gz ABWULURZNZEAKZ-QGZVFWFLSA-N 2 1 317.477 1.734 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978409125 696378199 /nfs/dbraw/zinc/37/81/99/696378199.db2.gz FGYVJMREQDKHJN-OSYLJGHBSA-N 2 1 310.401 1.818 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978435626 696382470 /nfs/dbraw/zinc/38/24/70/696382470.db2.gz ZRYFYAAPOXPDIP-QKDCVEJESA-N 2 1 323.868 1.661 20 30 DDEDMP C=CCNC(NCC1([NH+]2CCCCC2)CCN(C)CC1)=[NH+]C ZINC000072745226 696396137 /nfs/dbraw/zinc/39/61/37/696396137.db2.gz FSMFUGWGDCCADV-UHFFFAOYSA-N 2 1 307.486 1.288 20 30 DDEDMP C[C@H](CNC(=[NH2+])NCCc1ccccc1)CN1CC[NH+](C)CC1 ZINC000104174551 696619262 /nfs/dbraw/zinc/61/92/62/696619262.db2.gz JLRGTDGUQMWVEC-MRXNPFEDSA-N 2 1 317.481 1.017 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC3CC3)C2)CC1 ZINC000980479393 696783149 /nfs/dbraw/zinc/78/31/49/696783149.db2.gz VNOINVLAWIQQKN-QGZVFWFLSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486106 696784506 /nfs/dbraw/zinc/78/45/06/696784506.db2.gz QHEBHPCSINHMBW-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC000981771997 696910569 /nfs/dbraw/zinc/91/05/69/696910569.db2.gz JAGSVGRPIPVZQH-KRWDZBQOSA-N 2 1 315.461 1.276 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982120252 697034995 /nfs/dbraw/zinc/03/49/95/697034995.db2.gz QFNRJXVQRGLFMH-UHFFFAOYSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163851 697046457 /nfs/dbraw/zinc/04/64/57/697046457.db2.gz ZCZYLJGXFXOHFC-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163851 697046459 /nfs/dbraw/zinc/04/64/59/697046459.db2.gz ZCZYLJGXFXOHFC-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163851 697046461 /nfs/dbraw/zinc/04/64/61/697046461.db2.gz ZCZYLJGXFXOHFC-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982234977 697068689 /nfs/dbraw/zinc/06/86/89/697068689.db2.gz FTXSECPHNXBXCI-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234977 697068693 /nfs/dbraw/zinc/06/86/93/697068693.db2.gz FTXSECPHNXBXCI-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234977 697068696 /nfs/dbraw/zinc/06/86/96/697068696.db2.gz FTXSECPHNXBXCI-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP CC(=[NH+]NCCC[NH+]1CCOCC1)c1ccc(N(C)C)cc1 ZINC000799488366 700144952 /nfs/dbraw/zinc/14/49/52/700144952.db2.gz PZMLTIYYHNYQFY-UHFFFAOYSA-N 2 1 304.438 1.789 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000749239104 700152753 /nfs/dbraw/zinc/15/27/53/700152753.db2.gz CGZQFYQUMYHUCA-SFHVURJKSA-N 2 1 317.477 1.997 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262435497 698469709 /nfs/dbraw/zinc/46/97/09/698469709.db2.gz TVJLYEKQCRCVMR-SLBVQIDZSA-N 2 1 320.481 1.592 20 30 DDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262435497 698469713 /nfs/dbraw/zinc/46/97/13/698469713.db2.gz TVJLYEKQCRCVMR-SLBVQIDZSA-N 2 1 320.481 1.592 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@](C)(O)c1ccc(F)cc1 ZINC000305632974 698646672 /nfs/dbraw/zinc/64/66/72/698646672.db2.gz ABUHYXAEFQPNMM-RDJZCZTQSA-N 2 1 322.428 1.422 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730277801 699505940 /nfs/dbraw/zinc/50/59/40/699505940.db2.gz DWSQBSZOCIDFQG-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000730277801 699505942 /nfs/dbraw/zinc/50/59/42/699505942.db2.gz DWSQBSZOCIDFQG-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000807261542 701471723 /nfs/dbraw/zinc/47/17/23/701471723.db2.gz DDDCOKDMIRJRJF-BPQIPLTHSA-N 2 1 313.445 1.892 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000807261542 701471724 /nfs/dbraw/zinc/47/17/24/701471724.db2.gz DDDCOKDMIRJRJF-BPQIPLTHSA-N 2 1 313.445 1.892 20 30 DDEDMP Cc1cc(N(C)C)ccc1C=[NH+]NCCC[NH+]1CCOCC1 ZINC000841637284 702515304 /nfs/dbraw/zinc/51/53/04/702515304.db2.gz RCMKJNMFWJRLRA-UHFFFAOYSA-N 2 1 304.438 1.707 20 30 DDEDMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569212 706720636 /nfs/dbraw/zinc/72/06/36/706720636.db2.gz LDIYHTBYTARPGH-UONOGXRCSA-N 2 1 318.446 1.974 20 30 DDEDMP CCNC(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)=[NH+]CC ZINC000849215223 703625007 /nfs/dbraw/zinc/62/50/07/703625007.db2.gz WBESYHMVXKIKKA-MRXNPFEDSA-N 2 1 304.438 1.328 20 30 DDEDMP C#C[C@@H](CC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000854073237 704353076 /nfs/dbraw/zinc/35/30/76/704353076.db2.gz SSZRHDBAAGLWEI-JKSUJKDBSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000856477208 704530242 /nfs/dbraw/zinc/53/02/42/704530242.db2.gz OEBLFFRYCUNIIP-QGZVFWFLSA-N 2 1 317.477 1.570 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876727858 705843083 /nfs/dbraw/zinc/84/30/83/705843083.db2.gz UBFBFEZHJWSDHU-KSSFIOAISA-N 2 1 324.428 1.346 20 30 DDEDMP C=CCCn1cc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)nn1 ZINC000877664632 706173548 /nfs/dbraw/zinc/17/35/48/706173548.db2.gz SFGFPZTUKCQCMQ-UHFFFAOYSA-N 2 1 321.469 1.644 20 30 DDEDMP C=CCCn1cc(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)nn1 ZINC000877664632 706173551 /nfs/dbraw/zinc/17/35/51/706173551.db2.gz SFGFPZTUKCQCMQ-UHFFFAOYSA-N 2 1 321.469 1.644 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000883131254 707935758 /nfs/dbraw/zinc/93/57/58/707935758.db2.gz RSVISRQCEQVWAN-UHFFFAOYSA-N 2 1 305.422 1.853 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000883131254 707935759 /nfs/dbraw/zinc/93/57/59/707935759.db2.gz RSVISRQCEQVWAN-UHFFFAOYSA-N 2 1 305.422 1.853 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900050307 709276974 /nfs/dbraw/zinc/27/69/74/709276974.db2.gz DZYQQYPQWCTWNT-GASCZTMLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000900050307 709276977 /nfs/dbraw/zinc/27/69/77/709276977.db2.gz DZYQQYPQWCTWNT-GASCZTMLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000900481129 709616416 /nfs/dbraw/zinc/61/64/16/709616416.db2.gz NOINOLICLSSWHP-QGZVFWFLSA-N 3 1 324.513 1.369 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000890368910 709842299 /nfs/dbraw/zinc/84/22/99/709842299.db2.gz ODDBIYUQQVLHLF-JYJNAYRXSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000890368910 709842304 /nfs/dbraw/zinc/84/23/04/709842304.db2.gz ODDBIYUQQVLHLF-JYJNAYRXSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000890368910 709842306 /nfs/dbraw/zinc/84/23/06/709842306.db2.gz ODDBIYUQQVLHLF-JYJNAYRXSA-N 2 1 306.454 1.066 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000890368910 709842312 /nfs/dbraw/zinc/84/23/12/709842312.db2.gz ODDBIYUQQVLHLF-JYJNAYRXSA-N 2 1 306.454 1.066 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000901274201 709992969 /nfs/dbraw/zinc/99/29/69/709992969.db2.gz RXUMSHPAAPZJBL-INIZCTEOSA-N 2 1 311.470 1.454 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@@H](C)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931309897 714061973 /nfs/dbraw/zinc/06/19/73/714061973.db2.gz UITSQFMXNKWNGH-NXHRZFHOSA-N 2 1 305.466 1.849 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432665 714095948 /nfs/dbraw/zinc/09/59/48/714095948.db2.gz ZAGHELKHQPBBFA-MPTYRVRUSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432665 714095951 /nfs/dbraw/zinc/09/59/51/714095951.db2.gz ZAGHELKHQPBBFA-MPTYRVRUSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432665 714095953 /nfs/dbraw/zinc/09/59/53/714095953.db2.gz ZAGHELKHQPBBFA-MPTYRVRUSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432665 714095956 /nfs/dbraw/zinc/09/59/56/714095956.db2.gz ZAGHELKHQPBBFA-MPTYRVRUSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432665 714095958 /nfs/dbraw/zinc/09/59/58/714095958.db2.gz ZAGHELKHQPBBFA-MPTYRVRUSA-N 2 1 306.454 1.313 20 30 DDEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000923280441 714295760 /nfs/dbraw/zinc/29/57/60/714295760.db2.gz GJLZLKVWRWIFGG-HZPDHXFCSA-N 2 1 320.433 1.444 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366224 714329238 /nfs/dbraw/zinc/32/92/38/714329238.db2.gz IFCQMCWGWHXKPZ-SJLPKXTDSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000923366224 714329240 /nfs/dbraw/zinc/32/92/40/714329240.db2.gz IFCQMCWGWHXKPZ-SJLPKXTDSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000957605830 715967828 /nfs/dbraw/zinc/96/78/28/715967828.db2.gz LPZXHUSBRSOTQC-KRWDZBQOSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC000960722135 716668698 /nfs/dbraw/zinc/66/86/98/716668698.db2.gz MEGZLQMBZGZOHC-TWMKSMIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960722135 716668700 /nfs/dbraw/zinc/66/87/00/716668700.db2.gz MEGZLQMBZGZOHC-TWMKSMIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC000960722135 716668703 /nfs/dbraw/zinc/66/87/03/716668703.db2.gz MEGZLQMBZGZOHC-TWMKSMIVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648756 716896442 /nfs/dbraw/zinc/89/64/42/716896442.db2.gz HVIDBRQTXHCGCY-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648756 716896445 /nfs/dbraw/zinc/89/64/45/716896445.db2.gz HVIDBRQTXHCGCY-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648756 716896451 /nfs/dbraw/zinc/89/64/51/716896451.db2.gz HVIDBRQTXHCGCY-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648756 716896455 /nfs/dbraw/zinc/89/64/55/716896455.db2.gz HVIDBRQTXHCGCY-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1CC[NH+](C)C ZINC000961355519 716920914 /nfs/dbraw/zinc/92/09/14/716920914.db2.gz HGZLDELJAUKZMT-PIIMJCKOSA-N 2 1 313.445 1.637 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941231755 717135058 /nfs/dbraw/zinc/13/50/58/717135058.db2.gz WCCTZGAAVOEVMO-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231755 717135060 /nfs/dbraw/zinc/13/50/60/717135060.db2.gz WCCTZGAAVOEVMO-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231755 717135061 /nfs/dbraw/zinc/13/50/61/717135061.db2.gz WCCTZGAAVOEVMO-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231755 717135063 /nfs/dbraw/zinc/13/50/63/717135063.db2.gz WCCTZGAAVOEVMO-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231755 717135064 /nfs/dbraw/zinc/13/50/64/717135064.db2.gz WCCTZGAAVOEVMO-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000967210118 718792102 /nfs/dbraw/zinc/79/21/02/718792102.db2.gz VDHOZZKSCHTGPS-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678261 718875980 /nfs/dbraw/zinc/87/59/80/718875980.db2.gz WNAPEHZZCNPAJL-IYBDPMFKSA-N 2 1 322.412 1.752 20 30 DDEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967924371 719089974 /nfs/dbraw/zinc/08/99/74/719089974.db2.gz GQKYSFQQEGFYMI-NEPJUHHUSA-N 2 1 316.243 1.180 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947940877 719313486 /nfs/dbraw/zinc/31/34/86/719313486.db2.gz UPBZFDUXIIKEOK-HUUCEWRRSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947940877 719313490 /nfs/dbraw/zinc/31/34/90/719313490.db2.gz UPBZFDUXIIKEOK-HUUCEWRRSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439923 719499778 /nfs/dbraw/zinc/49/97/78/719499778.db2.gz WVZOPTNBNGABQS-HZPDHXFCSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439923 719499782 /nfs/dbraw/zinc/49/97/82/719499782.db2.gz WVZOPTNBNGABQS-HZPDHXFCSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969114420 719964971 /nfs/dbraw/zinc/96/49/71/719964971.db2.gz JIFAEJJPOYAYFU-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000949472948 720110731 /nfs/dbraw/zinc/11/07/31/720110731.db2.gz NTPHDASQPPXBCS-KRWDZBQOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3cnc(C)n3C2)C1 ZINC001023557011 735310418 /nfs/dbraw/zinc/31/04/18/735310418.db2.gz RXPJJAWYVPHJFJ-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557011 735310421 /nfs/dbraw/zinc/31/04/21/735310421.db2.gz RXPJJAWYVPHJFJ-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557011 735310425 /nfs/dbraw/zinc/31/04/25/735310425.db2.gz RXPJJAWYVPHJFJ-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001027687524 738548314 /nfs/dbraw/zinc/54/83/14/738548314.db2.gz PHPUVOOQNSHHDT-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001027687524 738548315 /nfs/dbraw/zinc/54/83/15/738548315.db2.gz PHPUVOOQNSHHDT-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001027687524 738548316 /nfs/dbraw/zinc/54/83/16/738548316.db2.gz PHPUVOOQNSHHDT-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027687524 738548317 /nfs/dbraw/zinc/54/83/17/738548317.db2.gz PHPUVOOQNSHHDT-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001027687524 738548318 /nfs/dbraw/zinc/54/83/18/738548318.db2.gz PHPUVOOQNSHHDT-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001021048220 732914486 /nfs/dbraw/zinc/91/44/86/732914486.db2.gz VPPOWCLJSMYXII-AVGNSLFASA-N 2 1 318.446 1.308 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173413 733084062 /nfs/dbraw/zinc/08/40/62/733084062.db2.gz WDWLXXIMNSBWCN-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173413 733084066 /nfs/dbraw/zinc/08/40/66/733084066.db2.gz WDWLXXIMNSBWCN-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001039173413 733084072 /nfs/dbraw/zinc/08/40/72/733084072.db2.gz WDWLXXIMNSBWCN-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC001021469500 733223761 /nfs/dbraw/zinc/22/37/61/733223761.db2.gz DYMACDCVFQELBF-AYHJJNSGSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021637269 733390765 /nfs/dbraw/zinc/39/07/65/733390765.db2.gz ZVEPKBHEPLBLQS-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021637269 733390768 /nfs/dbraw/zinc/39/07/68/733390768.db2.gz ZVEPKBHEPLBLQS-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001023482107 735265282 /nfs/dbraw/zinc/26/52/82/735265282.db2.gz YNNGIKUDTLQNSO-OAHLLOKOSA-N 2 1 323.400 1.342 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cncc2C1 ZINC001027976569 738895863 /nfs/dbraw/zinc/89/58/63/738895863.db2.gz DDUNGTHBGLGLAN-GJZGRUSLSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516794 735893776 /nfs/dbraw/zinc/89/37/76/735893776.db2.gz NWRLBXDNQPAAHA-CABCVRRESA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516794 735893780 /nfs/dbraw/zinc/89/37/80/735893780.db2.gz NWRLBXDNQPAAHA-CABCVRRESA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001024619871 735987645 /nfs/dbraw/zinc/98/76/45/735987645.db2.gz GLSWLNXFOPKBGI-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619871 735987649 /nfs/dbraw/zinc/98/76/49/735987649.db2.gz GLSWLNXFOPKBGI-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001024619871 735987652 /nfs/dbraw/zinc/98/76/52/735987652.db2.gz GLSWLNXFOPKBGI-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025469466 736706712 /nfs/dbraw/zinc/70/67/12/736706712.db2.gz PIJFDMWXXXYJDV-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104743017 736753348 /nfs/dbraw/zinc/75/33/48/736753348.db2.gz XBFYDYABQALFSG-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001019771594 736919039 /nfs/dbraw/zinc/91/90/39/736919039.db2.gz UABWTAAVUARLLV-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001026099852 737116672 /nfs/dbraw/zinc/11/66/72/737116672.db2.gz ITCVDEWZXKAXIR-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001026099852 737116675 /nfs/dbraw/zinc/11/66/75/737116675.db2.gz ITCVDEWZXKAXIR-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001026099852 737116676 /nfs/dbraw/zinc/11/66/76/737116676.db2.gz ITCVDEWZXKAXIR-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]12 ZINC001026421891 737521662 /nfs/dbraw/zinc/52/16/62/737521662.db2.gz XWTDXVLQLOEZDO-QLFBSQMISA-N 2 1 322.840 1.771 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027546211 738392371 /nfs/dbraw/zinc/39/23/71/738392371.db2.gz NBXCWMKWNDVJNT-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027546211 738392376 /nfs/dbraw/zinc/39/23/76/738392376.db2.gz NBXCWMKWNDVJNT-NVXWUHKLSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC001027979859 738901252 /nfs/dbraw/zinc/90/12/52/738901252.db2.gz ISTUPMVUBMLTFE-LSDHHAIUSA-N 2 1 300.406 1.049 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041359832 739070093 /nfs/dbraw/zinc/07/00/93/739070093.db2.gz VKONVEDQSBPFTH-WMZOPIPTSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001028333451 739366775 /nfs/dbraw/zinc/36/67/75/739366775.db2.gz LMKAZOOFUMEALS-FAOGRTBUSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001028333451 739366782 /nfs/dbraw/zinc/36/67/82/739366782.db2.gz LMKAZOOFUMEALS-FAOGRTBUSA-N 2 1 323.868 1.665 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547494 739645337 /nfs/dbraw/zinc/64/53/37/739645337.db2.gz WJLXKFXOIHXAHW-HNNXBMFYSA-N 2 1 319.453 1.073 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758160 739999293 /nfs/dbraw/zinc/99/92/93/739999293.db2.gz OSHKGAKSMMMIQW-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758160 739999294 /nfs/dbraw/zinc/99/92/94/739999294.db2.gz OSHKGAKSMMMIQW-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758160 739999295 /nfs/dbraw/zinc/99/92/95/739999295.db2.gz OSHKGAKSMMMIQW-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800087 740057554 /nfs/dbraw/zinc/05/75/54/740057554.db2.gz ONDKKIJBJQFKDB-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800087 740057557 /nfs/dbraw/zinc/05/75/57/740057557.db2.gz ONDKKIJBJQFKDB-JKSUJKDBSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101160 751521728 /nfs/dbraw/zinc/52/17/28/751521728.db2.gz GMLIPINLRWACBM-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000998101160 751521731 /nfs/dbraw/zinc/52/17/31/751521731.db2.gz GMLIPINLRWACBM-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000998101160 751521733 /nfs/dbraw/zinc/52/17/33/751521733.db2.gz GMLIPINLRWACBM-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001029000413 740244924 /nfs/dbraw/zinc/24/49/24/740244924.db2.gz CQQMIQZHNOBQPT-QGZVFWFLSA-N 2 1 313.445 1.823 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087967825 740894607 /nfs/dbraw/zinc/89/46/07/740894607.db2.gz NVGZPNSXOCIQQZ-SQNIBIBYSA-N 2 1 317.477 1.685 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001087993044 740933284 /nfs/dbraw/zinc/93/32/84/740933284.db2.gz XNZGIDOIVBNRGP-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029758367 741278003 /nfs/dbraw/zinc/27/80/03/741278003.db2.gz WUWCCHBDKRQUAN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC2CCC2)C1 ZINC001029758367 741278006 /nfs/dbraw/zinc/27/80/06/741278006.db2.gz WUWCCHBDKRQUAN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029758367 741278009 /nfs/dbraw/zinc/27/80/09/741278009.db2.gz WUWCCHBDKRQUAN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001029758367 741278010 /nfs/dbraw/zinc/27/80/10/741278010.db2.gz WUWCCHBDKRQUAN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC2CCC2)C1 ZINC001029758367 741278013 /nfs/dbraw/zinc/27/80/13/741278013.db2.gz WUWCCHBDKRQUAN-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nccn3C2)[C@H]1C ZINC001088677995 742070115 /nfs/dbraw/zinc/07/01/15/742070115.db2.gz BPFHMHMBDVEVDW-OAGGEKHMSA-N 2 1 316.449 1.991 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001035609988 751715689 /nfs/dbraw/zinc/71/56/89/751715689.db2.gz UDFWJVSJYYNHQH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001035609988 751715695 /nfs/dbraw/zinc/71/56/95/751715695.db2.gz UDFWJVSJYYNHQH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035609988 751715701 /nfs/dbraw/zinc/71/57/01/751715701.db2.gz UDFWJVSJYYNHQH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035609988 751715707 /nfs/dbraw/zinc/71/57/07/751715707.db2.gz UDFWJVSJYYNHQH-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3nccn3C)C2)C1 ZINC001040312070 742407975 /nfs/dbraw/zinc/40/79/75/742407975.db2.gz ZOKZMKXGBBHTKM-SFHVURJKSA-N 2 1 314.433 1.300 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177398 742586299 /nfs/dbraw/zinc/58/62/99/742586299.db2.gz ZXADZPUEDQDGBM-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177398 742586301 /nfs/dbraw/zinc/58/63/01/742586301.db2.gz ZXADZPUEDQDGBM-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001076177398 742586306 /nfs/dbraw/zinc/58/63/06/742586306.db2.gz ZXADZPUEDQDGBM-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCC)C[C@H]32)CC1 ZINC001076605785 742818845 /nfs/dbraw/zinc/81/88/45/742818845.db2.gz SSEWSBZTLICXLU-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001183042789 743768072 /nfs/dbraw/zinc/76/80/72/743768072.db2.gz DQWKJNWCMHFEMP-UHFFFAOYSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001185089949 744151683 /nfs/dbraw/zinc/15/16/83/744151683.db2.gz GAYZWPYZVAVCLB-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185669588 744272348 /nfs/dbraw/zinc/27/23/48/744272348.db2.gz VMSLDDJAYZIPCL-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185669587 744272397 /nfs/dbraw/zinc/27/23/97/744272397.db2.gz VMSLDDJAYZIPCL-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001186082920 744332380 /nfs/dbraw/zinc/33/23/80/744332380.db2.gz ODSHBKJEIKBENE-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088985479 744429214 /nfs/dbraw/zinc/42/92/14/744429214.db2.gz AKGJVCXYPVXEPS-HIFRSBDPSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088985479 744429216 /nfs/dbraw/zinc/42/92/16/744429216.db2.gz AKGJVCXYPVXEPS-HIFRSBDPSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985403 744542685 /nfs/dbraw/zinc/54/26/85/744542685.db2.gz UDPJTPVDFYQSPT-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985403 744542688 /nfs/dbraw/zinc/54/26/88/744542688.db2.gz UDPJTPVDFYQSPT-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985403 744542691 /nfs/dbraw/zinc/54/26/91/744542691.db2.gz UDPJTPVDFYQSPT-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187982450 744642726 /nfs/dbraw/zinc/64/27/26/744642726.db2.gz LSWNXVHRGHPSCS-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982450 744642729 /nfs/dbraw/zinc/64/27/29/744642729.db2.gz LSWNXVHRGHPSCS-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106120266 744738914 /nfs/dbraw/zinc/73/89/14/744738914.db2.gz SANKFKBSAUTOIZ-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CC=C)CC3)CC1 ZINC000992512902 744929243 /nfs/dbraw/zinc/92/92/43/744929243.db2.gz TZDYWHVESVWDGH-HKUYNNGSSA-N 2 1 315.461 1.631 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000992754490 745175537 /nfs/dbraw/zinc/17/55/37/745175537.db2.gz VSRZGBHTEXSSNJ-BRWVUGGUSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001205526246 745230869 /nfs/dbraw/zinc/23/08/69/745230869.db2.gz MAZMWDYWENMPKZ-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655534 745287479 /nfs/dbraw/zinc/28/74/79/745287479.db2.gz PVLWEGWUJIKNAO-JKSUJKDBSA-N 2 1 309.454 1.062 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOC(C)C)C1 ZINC001190722725 745305671 /nfs/dbraw/zinc/30/56/71/745305671.db2.gz GNBNPTCFFMQPCY-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOC(C)C)C1 ZINC001190722725 745305676 /nfs/dbraw/zinc/30/56/76/745305676.db2.gz GNBNPTCFFMQPCY-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOC(C)C)C1 ZINC001190722725 745305683 /nfs/dbraw/zinc/30/56/83/745305683.db2.gz GNBNPTCFFMQPCY-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOC(C)C)C1 ZINC001190722725 745305687 /nfs/dbraw/zinc/30/56/87/745305687.db2.gz GNBNPTCFFMQPCY-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989124 745659053 /nfs/dbraw/zinc/65/90/53/745659053.db2.gz QHPGRFBMILZNNC-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989124 745659056 /nfs/dbraw/zinc/65/90/56/745659056.db2.gz QHPGRFBMILZNNC-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192142033 745709744 /nfs/dbraw/zinc/70/97/44/745709744.db2.gz GNYUSYVYTOWINO-MRXNPFEDSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193076839 745969326 /nfs/dbraw/zinc/96/93/26/745969326.db2.gz DCCKJSQUOVSQKG-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001194227986 746313471 /nfs/dbraw/zinc/31/34/71/746313471.db2.gz OVDBJFXBRLEOJY-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227802 746314122 /nfs/dbraw/zinc/31/41/22/746314122.db2.gz NPPDYQOLOJYCJV-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)[C@H]2C)CC1 ZINC000994494791 746691441 /nfs/dbraw/zinc/69/14/41/746691441.db2.gz FSKYMEGQVUAQEJ-YJBOKZPZSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nc(C)cs2)CC1 ZINC001152334916 747152146 /nfs/dbraw/zinc/15/21/46/747152146.db2.gz VVTGFNJCWYFFST-UHFFFAOYSA-N 2 1 320.462 1.003 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849708 747220419 /nfs/dbraw/zinc/22/04/19/747220419.db2.gz UVIAVZVXVJSJJV-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003742510 747436656 /nfs/dbraw/zinc/43/66/56/747436656.db2.gz WSNWBYZOWPTGRZ-KRWDZBQOSA-N 2 1 305.466 1.853 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001152439435 747455543 /nfs/dbraw/zinc/45/55/43/747455543.db2.gz MCZXCAIIPLWFAX-UHFFFAOYSA-N 2 1 306.385 1.243 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001152439435 747455550 /nfs/dbraw/zinc/45/55/50/747455550.db2.gz MCZXCAIIPLWFAX-UHFFFAOYSA-N 2 1 306.385 1.243 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642936 747541452 /nfs/dbraw/zinc/54/14/52/747541452.db2.gz QKPOISKRTCMYML-OWCLPIDISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642936 747541453 /nfs/dbraw/zinc/54/14/53/747541453.db2.gz QKPOISKRTCMYML-OWCLPIDISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642936 747541455 /nfs/dbraw/zinc/54/14/55/747541455.db2.gz QKPOISKRTCMYML-OWCLPIDISA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000998804394 752239778 /nfs/dbraw/zinc/23/97/78/752239778.db2.gz KDEOJEHMNVTIGR-SEEARECTSA-N 2 1 317.437 1.555 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000998804394 752239781 /nfs/dbraw/zinc/23/97/81/752239781.db2.gz KDEOJEHMNVTIGR-SEEARECTSA-N 2 1 317.437 1.555 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCCO1 ZINC001200976293 748384701 /nfs/dbraw/zinc/38/47/01/748384701.db2.gz PYPNASXTBAURGR-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576368 748701123 /nfs/dbraw/zinc/70/11/23/748701123.db2.gz FIGQUNOMBCCKJJ-HHARLNAUSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576368 748701129 /nfs/dbraw/zinc/70/11/29/748701129.db2.gz FIGQUNOMBCCKJJ-HHARLNAUSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576368 748701134 /nfs/dbraw/zinc/70/11/34/748701134.db2.gz FIGQUNOMBCCKJJ-HHARLNAUSA-N 2 1 321.465 1.251 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036507 748796741 /nfs/dbraw/zinc/79/67/41/748796741.db2.gz MXJWQSWQIKPTHH-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033468340 749394152 /nfs/dbraw/zinc/39/41/52/749394152.db2.gz XIYRQXFMQQHPKI-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856675 749995171 /nfs/dbraw/zinc/99/51/71/749995171.db2.gz VEFDROCLDTYYIB-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856675 749995174 /nfs/dbraw/zinc/99/51/74/749995174.db2.gz VEFDROCLDTYYIB-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856675 749995176 /nfs/dbraw/zinc/99/51/76/749995176.db2.gz VEFDROCLDTYYIB-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000996741477 750011381 /nfs/dbraw/zinc/01/13/81/750011381.db2.gz AQFADJLWPVZVSY-AWEZNQCLSA-N 2 1 316.449 1.980 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609350 750234059 /nfs/dbraw/zinc/23/40/59/750234059.db2.gz OQJGNMKRPVYMJH-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111161613 750398198 /nfs/dbraw/zinc/39/81/98/750398198.db2.gz SZPFSUIANJYVPY-NCOADZHNSA-N 2 1 305.466 1.708 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C2 ZINC001111161613 750398203 /nfs/dbraw/zinc/39/82/03/750398203.db2.gz SZPFSUIANJYVPY-NCOADZHNSA-N 2 1 305.466 1.708 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)CC1 ZINC001034538530 750541729 /nfs/dbraw/zinc/54/17/29/750541729.db2.gz OOUUWMPJJNIRER-QGZVFWFLSA-N 2 1 323.456 1.662 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC(=C)C)C2)CC1 ZINC001034539208 750543181 /nfs/dbraw/zinc/54/31/81/750543181.db2.gz XPWGEEICQPJFMJ-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000997140126 750554343 /nfs/dbraw/zinc/55/43/43/750554343.db2.gz URVQWPHWXAVBQA-GDBMZVCRSA-N 2 1 314.433 1.610 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001111658498 750677936 /nfs/dbraw/zinc/67/79/36/750677936.db2.gz CGZNCFNRIVWQCL-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001111658498 750677941 /nfs/dbraw/zinc/67/79/41/750677941.db2.gz CGZNCFNRIVWQCL-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658498 750677944 /nfs/dbraw/zinc/67/79/44/750677944.db2.gz CGZNCFNRIVWQCL-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001111658498 750677949 /nfs/dbraw/zinc/67/79/49/750677949.db2.gz CGZNCFNRIVWQCL-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001034797327 750892408 /nfs/dbraw/zinc/89/24/08/750892408.db2.gz OWHHHCLNRKWUMU-JYJNAYRXSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001034797327 750892417 /nfs/dbraw/zinc/89/24/17/750892417.db2.gz OWHHHCLNRKWUMU-JYJNAYRXSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001108160201 750894795 /nfs/dbraw/zinc/89/47/95/750894795.db2.gz FOFONDUHEKTTHJ-BQFCYCMXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108160201 750894801 /nfs/dbraw/zinc/89/48/01/750894801.db2.gz FOFONDUHEKTTHJ-BQFCYCMXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160201 750894807 /nfs/dbraw/zinc/89/48/07/750894807.db2.gz FOFONDUHEKTTHJ-BQFCYCMXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108160201 750894813 /nfs/dbraw/zinc/89/48/13/750894813.db2.gz FOFONDUHEKTTHJ-BQFCYCMXSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903716 751215082 /nfs/dbraw/zinc/21/50/82/751215082.db2.gz IOQCOQMKZGVORS-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903716 751215086 /nfs/dbraw/zinc/21/50/86/751215086.db2.gz IOQCOQMKZGVORS-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+](CCC)C1)C2 ZINC001095903716 751215091 /nfs/dbraw/zinc/21/50/91/751215091.db2.gz IOQCOQMKZGVORS-MHORFTMASA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035196129 751278641 /nfs/dbraw/zinc/27/86/41/751278641.db2.gz USLSXDMWPVLKBS-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196129 751278642 /nfs/dbraw/zinc/27/86/42/751278642.db2.gz USLSXDMWPVLKBS-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)CC2 ZINC001035196129 751278645 /nfs/dbraw/zinc/27/86/45/751278645.db2.gz USLSXDMWPVLKBS-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CCF)C2)CC1 ZINC001035195179 751294800 /nfs/dbraw/zinc/29/48/00/751294800.db2.gz QXBJWXHZHISXBQ-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CCF)C2)CC1 ZINC001035195179 751294803 /nfs/dbraw/zinc/29/48/03/751294803.db2.gz QXBJWXHZHISXBQ-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCF)C2)CC1 ZINC001035195179 751294807 /nfs/dbraw/zinc/29/48/07/751294807.db2.gz QXBJWXHZHISXBQ-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CCF)C2)CC1 ZINC001035195179 751294810 /nfs/dbraw/zinc/29/48/10/751294810.db2.gz QXBJWXHZHISXBQ-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008535543 752786968 /nfs/dbraw/zinc/78/69/68/752786968.db2.gz TUGQFSHLMBHLLR-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008535543 752786971 /nfs/dbraw/zinc/78/69/71/752786971.db2.gz TUGQFSHLMBHLLR-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000999407740 752897192 /nfs/dbraw/zinc/89/71/92/752897192.db2.gz FVEJVPZCFKXJSO-FHERZECASA-N 2 1 316.449 1.909 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000999410365 752897913 /nfs/dbraw/zinc/89/79/13/752897913.db2.gz VRPBEEKRPQFQEK-KVULBXGLSA-N 2 1 309.429 1.411 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001000888375 762305161 /nfs/dbraw/zinc/30/51/61/762305161.db2.gz YWYUWXAUNQOJCZ-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888375 762305166 /nfs/dbraw/zinc/30/51/66/762305166.db2.gz YWYUWXAUNQOJCZ-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000888375 762305172 /nfs/dbraw/zinc/30/51/72/762305172.db2.gz YWYUWXAUNQOJCZ-GOSISDBHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C)CC1 ZINC001080997864 756180852 /nfs/dbraw/zinc/18/08/52/756180852.db2.gz NAMBLQBHFHIRJF-CRAIPNDOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040296206 762480272 /nfs/dbraw/zinc/48/02/72/762480272.db2.gz MBYDOUGMRNZCHF-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001040296206 762480276 /nfs/dbraw/zinc/48/02/76/762480276.db2.gz MBYDOUGMRNZCHF-GOSISDBHSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015969967 756686017 /nfs/dbraw/zinc/68/60/17/756686017.db2.gz FCUHEVUEUYOUJQ-KRWDZBQOSA-N 2 1 305.466 1.875 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256242 756876208 /nfs/dbraw/zinc/87/62/08/756876208.db2.gz QZBGTISYZVZDJJ-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256242 756876211 /nfs/dbraw/zinc/87/62/11/756876211.db2.gz QZBGTISYZVZDJJ-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256242 756876214 /nfs/dbraw/zinc/87/62/14/756876214.db2.gz QZBGTISYZVZDJJ-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097209759 756979378 /nfs/dbraw/zinc/97/93/78/756979378.db2.gz JOCWQEKAAQQDFR-TVFCKZIOSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097209759 756979387 /nfs/dbraw/zinc/97/93/87/756979387.db2.gz JOCWQEKAAQQDFR-TVFCKZIOSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097209759 756979396 /nfs/dbraw/zinc/97/93/96/756979396.db2.gz JOCWQEKAAQQDFR-TVFCKZIOSA-N 2 1 317.477 1.709 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001097431007 757179423 /nfs/dbraw/zinc/17/94/23/757179423.db2.gz VTIAKMUPDDPTOB-OAGGEKHMSA-N 2 1 303.450 1.912 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001016829750 757388912 /nfs/dbraw/zinc/38/89/12/757388912.db2.gz NLVLILAXBHOUEQ-CVEARBPZSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001016983931 757529896 /nfs/dbraw/zinc/52/98/96/757529896.db2.gz AJVQSVNERGNBRG-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040494572 762560828 /nfs/dbraw/zinc/56/08/28/762560828.db2.gz XQFDQZJKDYANMC-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040494572 762560834 /nfs/dbraw/zinc/56/08/34/762560834.db2.gz XQFDQZJKDYANMC-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040494572 762560842 /nfs/dbraw/zinc/56/08/42/762560842.db2.gz XQFDQZJKDYANMC-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084612915 757709431 /nfs/dbraw/zinc/70/94/31/757709431.db2.gz TWFNQPCKJYRIHP-HLLBOEOZSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001084612915 757709440 /nfs/dbraw/zinc/70/94/40/757709440.db2.gz TWFNQPCKJYRIHP-HLLBOEOZSA-N 2 1 314.433 1.473 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001052765000 757741176 /nfs/dbraw/zinc/74/11/76/757741176.db2.gz VDXYOEAEVBWKDO-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040531655 762581052 /nfs/dbraw/zinc/58/10/52/762581052.db2.gz RLOBSRZOLHHIAN-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040531655 762581060 /nfs/dbraw/zinc/58/10/60/762581060.db2.gz RLOBSRZOLHHIAN-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001040531655 762581066 /nfs/dbraw/zinc/58/10/66/762581066.db2.gz RLOBSRZOLHHIAN-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCC=C)C[C@H]32)CC1 ZINC001084850044 757981051 /nfs/dbraw/zinc/98/10/51/757981051.db2.gz HITSKWXMBHALNY-QZTJIDSGSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](C(C)C)C[C@H]32)CC1 ZINC001084850060 757981198 /nfs/dbraw/zinc/98/11/98/757981198.db2.gz IHASIHJGDYQWOK-IAGOWNOFSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]21 ZINC001084943877 758083964 /nfs/dbraw/zinc/08/39/64/758083964.db2.gz FCQDHBWIWCIOKT-VQHPVUNQSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084943877 758083970 /nfs/dbraw/zinc/08/39/70/758083970.db2.gz FCQDHBWIWCIOKT-VQHPVUNQSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@H]21 ZINC001084943877 758083973 /nfs/dbraw/zinc/08/39/73/758083973.db2.gz FCQDHBWIWCIOKT-VQHPVUNQSA-N 2 1 303.450 1.273 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018636489 759057849 /nfs/dbraw/zinc/05/78/49/759057849.db2.gz VBHYSBKWNIBHGA-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001054134198 759210127 /nfs/dbraw/zinc/21/01/27/759210127.db2.gz WFBDPBNLLWUOTD-PKOBYXMFSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001098371375 759233815 /nfs/dbraw/zinc/23/38/15/759233815.db2.gz OHCCIOSZYKEZHP-DLBZAZTESA-N 2 1 323.481 1.188 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001098371375 759233820 /nfs/dbraw/zinc/23/38/20/759233820.db2.gz OHCCIOSZYKEZHP-DLBZAZTESA-N 2 1 323.481 1.188 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001098371375 759233825 /nfs/dbraw/zinc/23/38/25/759233825.db2.gz OHCCIOSZYKEZHP-DLBZAZTESA-N 2 1 323.481 1.188 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC[NH+](C)CC1)C2 ZINC001054209056 759294166 /nfs/dbraw/zinc/29/41/66/759294166.db2.gz HKLISYBCWXEIHG-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290343 759396563 /nfs/dbraw/zinc/39/65/63/759396563.db2.gz NSVXMKHPSFSQQG-UHFFFAOYSA-N 2 1 323.440 1.738 20 30 DDEDMP CC#CC[N@H+]1Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2C1 ZINC001054290343 759396575 /nfs/dbraw/zinc/39/65/75/759396575.db2.gz NSVXMKHPSFSQQG-UHFFFAOYSA-N 2 1 323.440 1.738 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001018966112 759459624 /nfs/dbraw/zinc/45/96/24/759459624.db2.gz CIELZKWCNNQVBM-QWHCGFSZSA-N 2 1 308.813 1.704 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085982499 760655879 /nfs/dbraw/zinc/65/58/79/760655879.db2.gz MAMCJJJYGZIELR-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085982499 760655882 /nfs/dbraw/zinc/65/58/82/760655882.db2.gz MAMCJJJYGZIELR-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982499 760655885 /nfs/dbraw/zinc/65/58/85/760655885.db2.gz MAMCJJJYGZIELR-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001085982499 760655888 /nfs/dbraw/zinc/65/58/88/760655888.db2.gz MAMCJJJYGZIELR-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC(=C)C)C2)CC1 ZINC001046850611 767984009 /nfs/dbraw/zinc/98/40/09/767984009.db2.gz XZQITOGHWYXRAA-IBGZPJMESA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001038646493 761246394 /nfs/dbraw/zinc/24/63/94/761246394.db2.gz PTYIKVOBFMIHQP-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001038646493 761246399 /nfs/dbraw/zinc/24/63/99/761246399.db2.gz PTYIKVOBFMIHQP-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001000203408 761572468 /nfs/dbraw/zinc/57/24/68/761572468.db2.gz WRAOSVXOBURFEX-PBHICJAKSA-N 2 1 309.429 1.413 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001424756 762851918 /nfs/dbraw/zinc/85/19/18/762851918.db2.gz LKCFOKPRKXNYEG-IRXDYDNUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285989 762933575 /nfs/dbraw/zinc/93/35/75/762933575.db2.gz ITYHHIXLNLACCK-WMZOPIPTSA-N 2 1 303.450 1.439 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041286327 762933762 /nfs/dbraw/zinc/93/37/62/762933762.db2.gz JUJMEXYOFBEUNI-MJGOQNOKSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001041288532 762936065 /nfs/dbraw/zinc/93/60/65/762936065.db2.gz XTVUWYMBECIXNR-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CC[N@H+](C)CC)C2 ZINC001108793799 762941040 /nfs/dbraw/zinc/94/10/40/762941040.db2.gz FFBDLAWCRHHVEM-BBWFWOEESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041299025 762944043 /nfs/dbraw/zinc/94/40/43/762944043.db2.gz CQBLWHWQLDBNQR-LZLYRXPVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041299025 762944047 /nfs/dbraw/zinc/94/40/47/762944047.db2.gz CQBLWHWQLDBNQR-LZLYRXPVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041299025 762944051 /nfs/dbraw/zinc/94/40/51/762944051.db2.gz CQBLWHWQLDBNQR-LZLYRXPVSA-N 2 1 305.466 1.827 20 30 DDEDMP CCCCCCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129386500 763479347 /nfs/dbraw/zinc/47/93/47/763479347.db2.gz MHZIGJJNLBYCHX-MRXNPFEDSA-N 2 1 323.485 1.490 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042133381 763689598 /nfs/dbraw/zinc/68/95/98/763689598.db2.gz JSOOPOCPLCITKU-PBHICJAKSA-N 2 1 308.385 1.504 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001050551106 763744932 /nfs/dbraw/zinc/74/49/32/763744932.db2.gz RKPRFTKQVJHJSS-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC[NH+](C)C)C[C@@H](C)O2 ZINC001131696895 768279122 /nfs/dbraw/zinc/27/91/22/768279122.db2.gz CLAQWNFNDMXPRT-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CCCC[NH+](C)C)C[C@@H](C)O2 ZINC001131697297 768279300 /nfs/dbraw/zinc/27/93/00/768279300.db2.gz JAWZPETYYPZRFZ-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCCC[NH+](C)C)C[C@H](C)O2 ZINC001131697298 768279819 /nfs/dbraw/zinc/27/98/19/768279819.db2.gz JAWZPETYYPZRFZ-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432037 765688002 /nfs/dbraw/zinc/68/80/02/765688002.db2.gz IGDMQFGFDKKFSB-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585858 766420566 /nfs/dbraw/zinc/42/05/66/766420566.db2.gz XBMYDHKUAAEUOZ-IRXDYDNUSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001046037947 766842786 /nfs/dbraw/zinc/84/27/86/766842786.db2.gz CNOVOLBMZAURDO-IAGOWNOFSA-N 2 1 322.497 1.121 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415478 767508510 /nfs/dbraw/zinc/50/85/10/767508510.db2.gz IHOGALSLQOBQSK-AWEZNQCLSA-N 2 1 319.453 1.343 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569612 767698843 /nfs/dbraw/zinc/69/88/43/767698843.db2.gz KJDUUBJBFGVTCM-QAPCUYQASA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569612 767698851 /nfs/dbraw/zinc/69/88/51/767698851.db2.gz KJDUUBJBFGVTCM-QAPCUYQASA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047553405 768564717 /nfs/dbraw/zinc/56/47/17/768564717.db2.gz DSEMIFAAYWQVJW-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047553405 768564720 /nfs/dbraw/zinc/56/47/20/768564720.db2.gz DSEMIFAAYWQVJW-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048589118 769563705 /nfs/dbraw/zinc/56/37/05/769563705.db2.gz CTQUXMDEEGKDJH-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048589118 769563709 /nfs/dbraw/zinc/56/37/09/769563709.db2.gz CTQUXMDEEGKDJH-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048589118 769563718 /nfs/dbraw/zinc/56/37/18/769563718.db2.gz CTQUXMDEEGKDJH-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001048820761 769944892 /nfs/dbraw/zinc/94/48/92/769944892.db2.gz NQEISDCXYRQJLA-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107259 770387514 /nfs/dbraw/zinc/38/75/14/770387514.db2.gz CFMGKMPFRDSJLB-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107259 770387525 /nfs/dbraw/zinc/38/75/25/770387525.db2.gz CFMGKMPFRDSJLB-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107259 770387538 /nfs/dbraw/zinc/38/75/38/770387538.db2.gz CFMGKMPFRDSJLB-MHORFTMASA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171082 770494051 /nfs/dbraw/zinc/49/40/51/770494051.db2.gz JXMSRMCODMQYFX-WCXIOVBPSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC=C)C2)CC1 ZINC001072099712 770541529 /nfs/dbraw/zinc/54/15/29/770541529.db2.gz WJMHRAZGRBPLTE-NVXWUHKLSA-N 2 1 303.450 1.487 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@H]2C1 ZINC001049233677 770579934 /nfs/dbraw/zinc/57/99/34/770579934.db2.gz PCCVVZACTKCMCB-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049233677 770579938 /nfs/dbraw/zinc/57/99/38/770579938.db2.gz PCCVVZACTKCMCB-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@H]2C1 ZINC001049233677 770579944 /nfs/dbraw/zinc/57/99/44/770579944.db2.gz PCCVVZACTKCMCB-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001090518374 770893256 /nfs/dbraw/zinc/89/32/56/770893256.db2.gz CMNBJUULOVSUGH-CABCVRRESA-N 2 1 321.421 1.082 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C1CCC1 ZINC001049523540 770974053 /nfs/dbraw/zinc/97/40/53/770974053.db2.gz ZIGHGASKZHJTHV-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C1CCC1 ZINC001049523540 770974060 /nfs/dbraw/zinc/97/40/60/770974060.db2.gz ZIGHGASKZHJTHV-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C1CCC1 ZINC001049523540 770974066 /nfs/dbraw/zinc/97/40/66/770974066.db2.gz ZIGHGASKZHJTHV-IRXDYDNUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001049768748 771145937 /nfs/dbraw/zinc/14/59/37/771145937.db2.gz ZNCUWOUGGIBHJA-RCCFBDPRSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001049806019 771175036 /nfs/dbraw/zinc/17/50/36/771175036.db2.gz LXNSLWFVHCFIMN-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049900425 771244411 /nfs/dbraw/zinc/24/44/11/771244411.db2.gz KSJXLRJRRXVDER-HOTGVXAUSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049900425 771244413 /nfs/dbraw/zinc/24/44/13/771244413.db2.gz KSJXLRJRRXVDER-HOTGVXAUSA-N 2 1 300.406 1.280 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675313 771644665 /nfs/dbraw/zinc/64/46/65/771644665.db2.gz DXCVHKRHSMKDLH-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001091068070 772501241 /nfs/dbraw/zinc/50/12/41/772501241.db2.gz DQDRKYHLSZCTEN-RUXDESIVSA-N 2 1 322.840 1.997 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC001146718820 772925572 /nfs/dbraw/zinc/92/55/72/772925572.db2.gz GJNOGINIUINXRN-UHFFFAOYSA-N 2 1 318.421 1.114 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001073610993 773212947 /nfs/dbraw/zinc/21/29/47/773212947.db2.gz KZIGUKHFAHHNDY-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610993 773212951 /nfs/dbraw/zinc/21/29/51/773212951.db2.gz KZIGUKHFAHHNDY-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001073610993 773212954 /nfs/dbraw/zinc/21/29/54/773212954.db2.gz KZIGUKHFAHHNDY-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001091664454 773257462 /nfs/dbraw/zinc/25/74/62/773257462.db2.gz MICLAGYGEJHGCF-RYRKJORJSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664454 773257470 /nfs/dbraw/zinc/25/74/70/773257470.db2.gz MICLAGYGEJHGCF-RYRKJORJSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001091664454 773257477 /nfs/dbraw/zinc/25/74/77/773257477.db2.gz MICLAGYGEJHGCF-RYRKJORJSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148205586 773389404 /nfs/dbraw/zinc/38/94/04/773389404.db2.gz JFRWDZAEMSBQPH-UHFFFAOYSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861671 773476620 /nfs/dbraw/zinc/47/66/20/773476620.db2.gz GSLVYZAAKGIYQZ-MRXNPFEDSA-N 2 1 321.465 1.256 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099556 773944554 /nfs/dbraw/zinc/94/45/54/773944554.db2.gz XQQSOUXHUMDSNR-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001092099556 773944557 /nfs/dbraw/zinc/94/45/57/773944557.db2.gz XQQSOUXHUMDSNR-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092273888 774039533 /nfs/dbraw/zinc/03/95/33/774039533.db2.gz VOILPUWLILURNR-FMKPAKJESA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092273888 774039537 /nfs/dbraw/zinc/03/95/37/774039537.db2.gz VOILPUWLILURNR-FMKPAKJESA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273888 774039543 /nfs/dbraw/zinc/03/95/43/774039543.db2.gz VOILPUWLILURNR-FMKPAKJESA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092273888 774039550 /nfs/dbraw/zinc/03/95/50/774039550.db2.gz VOILPUWLILURNR-FMKPAKJESA-N 2 1 311.857 1.471 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001092299563 774051904 /nfs/dbraw/zinc/05/19/04/774051904.db2.gz BITRDGAMCYDUGZ-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1C ZINC001074755434 774102427 /nfs/dbraw/zinc/10/24/27/774102427.db2.gz CSGIBACLESEPPU-GZOJWHRLSA-N 2 1 319.449 1.005 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001099029598 774781211 /nfs/dbraw/zinc/78/12/11/774781211.db2.gz GRUDFUZNFVROHP-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029598 774781213 /nfs/dbraw/zinc/78/12/13/774781213.db2.gz GRUDFUZNFVROHP-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029598 774781216 /nfs/dbraw/zinc/78/12/16/774781216.db2.gz GRUDFUZNFVROHP-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340599 774952973 /nfs/dbraw/zinc/95/29/73/774952973.db2.gz WFVDSGPYVWOOPH-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340599 774952977 /nfs/dbraw/zinc/95/29/77/774952977.db2.gz WFVDSGPYVWOOPH-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548019 775024258 /nfs/dbraw/zinc/02/42/58/775024258.db2.gz PDSLDRBQTLVPTA-MLHJIOFPSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](O)C1 ZINC001099938112 775446155 /nfs/dbraw/zinc/44/61/55/775446155.db2.gz QVVQTYTZHVAHBM-HOTGVXAUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001100024157 775587373 /nfs/dbraw/zinc/58/73/73/775587373.db2.gz FHQSYSUFHCASCM-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001100024157 775587381 /nfs/dbraw/zinc/58/73/81/775587381.db2.gz FHQSYSUFHCASCM-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034163 775599303 /nfs/dbraw/zinc/59/93/03/775599303.db2.gz OYLXXVZVKWWXRT-HOTGVXAUSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100034163 775599306 /nfs/dbraw/zinc/59/93/06/775599306.db2.gz OYLXXVZVKWWXRT-HOTGVXAUSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036895678 776007045 /nfs/dbraw/zinc/00/70/45/776007045.db2.gz BYKCFTSCZUGBPU-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036895678 776007055 /nfs/dbraw/zinc/00/70/55/776007055.db2.gz BYKCFTSCZUGBPU-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001036903517 776080386 /nfs/dbraw/zinc/08/03/86/776080386.db2.gz BMROVSJYOHPHIR-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150334647 777424042 /nfs/dbraw/zinc/42/40/42/777424042.db2.gz ZBQMQVHUGQNIHK-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150334647 777424043 /nfs/dbraw/zinc/42/40/43/777424043.db2.gz ZBQMQVHUGQNIHK-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150334647 777424045 /nfs/dbraw/zinc/42/40/45/777424045.db2.gz ZBQMQVHUGQNIHK-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001174890076 777611570 /nfs/dbraw/zinc/61/15/70/777611570.db2.gz OZVOQPGBAVLXFG-HZPDHXFCSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001174890076 777611575 /nfs/dbraw/zinc/61/15/75/777611575.db2.gz OZVOQPGBAVLXFG-HZPDHXFCSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001178045781 778831894 /nfs/dbraw/zinc/83/18/94/778831894.db2.gz VFHBTGYGXLVQBX-INIZCTEOSA-N 2 1 311.470 1.549 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647099 778979272 /nfs/dbraw/zinc/97/92/72/778979272.db2.gz UNTNHZFFTRBPIZ-HZPDHXFCSA-N 2 1 303.450 1.180 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782302 779478790 /nfs/dbraw/zinc/47/87/90/779478790.db2.gz CKXOVMKRPBXHFA-SCTDSRPQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782302 779478795 /nfs/dbraw/zinc/47/87/95/779478795.db2.gz CKXOVMKRPBXHFA-SCTDSRPQSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001111782302 779478798 /nfs/dbraw/zinc/47/87/98/779478798.db2.gz CKXOVMKRPBXHFA-SCTDSRPQSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401655 779759108 /nfs/dbraw/zinc/75/91/08/779759108.db2.gz QTPYNONIBMMVOR-YJBOKZPZSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170093 781796665 /nfs/dbraw/zinc/79/66/65/781796665.db2.gz GVXAWZJUZXQOFR-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170093 781796672 /nfs/dbraw/zinc/79/66/72/781796672.db2.gz GVXAWZJUZXQOFR-INIZCTEOSA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(C)C[N@@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267244862 837595715 /nfs/dbraw/zinc/59/57/15/837595715.db2.gz TXBJIJMQAGZAJT-UHFFFAOYSA-N 2 1 313.405 1.895 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266327843 836125646 /nfs/dbraw/zinc/12/56/46/836125646.db2.gz MZQHFRWDEPTYBI-OAHLLOKOSA-N 2 1 307.438 1.008 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001271883841 844178672 /nfs/dbraw/zinc/17/86/72/844178672.db2.gz DVHYFAWHOZKJLW-HOCLYGCPSA-N 2 1 302.422 1.118 20 30 DDEDMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001266817576 836878951 /nfs/dbraw/zinc/87/89/51/836878951.db2.gz LZIAPHXVUORDAL-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP CN(CC[NH2+]Cc1ccccc1C#N)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267456416 838081575 /nfs/dbraw/zinc/08/15/75/838081575.db2.gz WPHSFWDVFAHIBO-OAHLLOKOSA-N 2 1 314.433 1.448 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267590468 838380432 /nfs/dbraw/zinc/38/04/32/838380432.db2.gz SRFBHJJONXMVJD-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC001267938834 839228599 /nfs/dbraw/zinc/22/85/99/839228599.db2.gz LYTHZYCBBJPUSZ-MRXNPFEDSA-N 2 1 313.445 1.758 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@H]21 ZINC001268271384 839926676 /nfs/dbraw/zinc/92/66/76/839926676.db2.gz RJXGPJJJQPROHM-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001268271384 839926683 /nfs/dbraw/zinc/92/66/83/839926683.db2.gz RJXGPJJJQPROHM-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001268271384 839926686 /nfs/dbraw/zinc/92/66/86/839926686.db2.gz RJXGPJJJQPROHM-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001272084821 844573003 /nfs/dbraw/zinc/57/30/03/844573003.db2.gz AZXFGDFWBGKURW-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001270624452 842744614 /nfs/dbraw/zinc/74/46/14/842744614.db2.gz QCCODJJMYWAUFM-QZTJIDSGSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001270624452 842744625 /nfs/dbraw/zinc/74/46/25/842744625.db2.gz QCCODJJMYWAUFM-QZTJIDSGSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001270624452 842744633 /nfs/dbraw/zinc/74/46/33/842744633.db2.gz QCCODJJMYWAUFM-QZTJIDSGSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CC[C@@](C)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001270624452 842744640 /nfs/dbraw/zinc/74/46/40/842744640.db2.gz QCCODJJMYWAUFM-QZTJIDSGSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001270738102 842860346 /nfs/dbraw/zinc/86/03/46/842860346.db2.gz ZWLCLNZRIRVGMM-WMZOPIPTSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CC2)C1 ZINC001270738102 842860357 /nfs/dbraw/zinc/86/03/57/842860357.db2.gz ZWLCLNZRIRVGMM-WMZOPIPTSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001154838802 861501542 /nfs/dbraw/zinc/50/15/42/861501542.db2.gz WROISJDPCCJYAH-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001154838802 861501549 /nfs/dbraw/zinc/50/15/49/861501549.db2.gz WROISJDPCCJYAH-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001154838802 861501560 /nfs/dbraw/zinc/50/15/60/861501560.db2.gz WROISJDPCCJYAH-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1occc1C[NH+](C)C ZINC001154888011 861541407 /nfs/dbraw/zinc/54/14/07/861541407.db2.gz HYJNPSIBZFKQGV-CQSZACIVSA-N 2 1 305.422 1.805 20 30 DDEDMP COCC#CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001326929254 861724225 /nfs/dbraw/zinc/72/42/25/861724225.db2.gz ULEJNYDBUQHPNF-IYBDPMFKSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001273025587 847804193 /nfs/dbraw/zinc/80/41/93/847804193.db2.gz YJOZPUMMWPGGGH-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001273025587 847804200 /nfs/dbraw/zinc/80/42/00/847804200.db2.gz YJOZPUMMWPGGGH-GOSISDBHSA-N 2 1 313.445 1.722 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273029796 847811109 /nfs/dbraw/zinc/81/11/09/847811109.db2.gz JFSRFCCSSMIREN-SFHVURJKSA-N 2 1 305.466 1.877 20 30 DDEDMP N#CCCCN1CC[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273029456 847811240 /nfs/dbraw/zinc/81/12/40/847811240.db2.gz GFRVACXRNCNIGA-QGZVFWFLSA-N 2 1 304.438 1.214 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001034148708 848034426 /nfs/dbraw/zinc/03/44/26/848034426.db2.gz NVIWFBOXTMNRAJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001034148708 848034433 /nfs/dbraw/zinc/03/44/33/848034433.db2.gz NVIWFBOXTMNRAJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148708 848034439 /nfs/dbraw/zinc/03/44/39/848034439.db2.gz NVIWFBOXTMNRAJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001034148708 848034447 /nfs/dbraw/zinc/03/44/47/848034447.db2.gz NVIWFBOXTMNRAJ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034210092 848117697 /nfs/dbraw/zinc/11/76/97/848117697.db2.gz MOTWTELJPOVIKU-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001034369741 848396390 /nfs/dbraw/zinc/39/63/90/848396390.db2.gz UOPCZPLREHXZEV-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034369741 848396402 /nfs/dbraw/zinc/39/64/02/848396402.db2.gz UOPCZPLREHXZEV-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001034369741 848396415 /nfs/dbraw/zinc/39/64/15/848396415.db2.gz UOPCZPLREHXZEV-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001034365354 848420931 /nfs/dbraw/zinc/42/09/31/848420931.db2.gz ZXBKEVFJWVRMBR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365354 848420937 /nfs/dbraw/zinc/42/09/37/848420937.db2.gz ZXBKEVFJWVRMBR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365354 848420943 /nfs/dbraw/zinc/42/09/43/848420943.db2.gz ZXBKEVFJWVRMBR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365354 848420953 /nfs/dbraw/zinc/42/09/53/848420953.db2.gz ZXBKEVFJWVRMBR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144511 848566633 /nfs/dbraw/zinc/56/66/33/848566633.db2.gz QIZGXWACYVAGRU-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144511 848566635 /nfs/dbraw/zinc/56/66/35/848566635.db2.gz QIZGXWACYVAGRU-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144511 848566638 /nfs/dbraw/zinc/56/66/38/848566638.db2.gz QIZGXWACYVAGRU-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149861006 861949337 /nfs/dbraw/zinc/94/93/37/861949337.db2.gz LCCYPUKLYBAEFP-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149861006 861949350 /nfs/dbraw/zinc/94/93/50/861949350.db2.gz LCCYPUKLYBAEFP-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149861006 861949364 /nfs/dbraw/zinc/94/93/64/861949364.db2.gz LCCYPUKLYBAEFP-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149863282 861951653 /nfs/dbraw/zinc/95/16/53/861951653.db2.gz ZSWLFNRCZBBQLZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863282 861951665 /nfs/dbraw/zinc/95/16/65/861951665.db2.gz ZSWLFNRCZBBQLZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149863282 861951674 /nfs/dbraw/zinc/95/16/74/861951674.db2.gz ZSWLFNRCZBBQLZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)C[C@H](NC(=O)CC[N@H+](C)CC)CO2 ZINC001327412537 862152960 /nfs/dbraw/zinc/15/29/60/862152960.db2.gz MRHFVOTVXSLERP-HOTGVXAUSA-N 2 1 323.481 1.642 20 30 DDEDMP C[NH+](C)CCC[NH+]1CCC2(C[C@H]2C(=O)NCCCC#N)CC1 ZINC001273712099 851258640 /nfs/dbraw/zinc/25/86/40/851258640.db2.gz PBZTUHKCPDJERC-HNNXBMFYSA-N 2 1 306.454 1.460 20 30 DDEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001273910434 851494949 /nfs/dbraw/zinc/49/49/49/851494949.db2.gz IALIXIADPREFDS-BQFCYCMXSA-N 2 1 323.481 1.236 20 30 DDEDMP COCC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275492299 853217386 /nfs/dbraw/zinc/21/73/86/853217386.db2.gz MKKMJFUUPTUILQ-CABCVRRESA-N 2 1 311.470 1.097 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150761547 862456603 /nfs/dbraw/zinc/45/66/03/862456603.db2.gz OVQKUGGJMHPIJE-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072799052 857714824 /nfs/dbraw/zinc/71/48/24/857714824.db2.gz FRLYROBBIPUAKK-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799052 857714832 /nfs/dbraw/zinc/71/48/32/857714832.db2.gz FRLYROBBIPUAKK-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001072799052 857714841 /nfs/dbraw/zinc/71/48/41/857714841.db2.gz FRLYROBBIPUAKK-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001072858922 857810950 /nfs/dbraw/zinc/81/09/50/857810950.db2.gz NXHXFPNADIAGOG-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001072858922 857810961 /nfs/dbraw/zinc/81/09/61/857810961.db2.gz NXHXFPNADIAGOG-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001072858922 857810969 /nfs/dbraw/zinc/81/09/69/857810969.db2.gz NXHXFPNADIAGOG-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC001072870482 857823877 /nfs/dbraw/zinc/82/38/77/857823877.db2.gz KJSAUAKNFCZALR-CQSZACIVSA-N 2 1 300.406 1.166 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nccn4C3)C2)C1 ZINC001072870354 857824435 /nfs/dbraw/zinc/82/44/35/857824435.db2.gz GGIOFSVCYYLORP-OAHLLOKOSA-N 2 1 312.417 1.003 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072913714 857880822 /nfs/dbraw/zinc/88/08/22/857880822.db2.gz HICZUGLQQSCWFE-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072913714 857880827 /nfs/dbraw/zinc/88/08/27/857880827.db2.gz HICZUGLQQSCWFE-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072913714 857880831 /nfs/dbraw/zinc/88/08/31/857880831.db2.gz HICZUGLQQSCWFE-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001073433794 858332910 /nfs/dbraw/zinc/33/29/10/858332910.db2.gz NVRWFOGFMIKOLT-INIZCTEOSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001122178090 858704143 /nfs/dbraw/zinc/70/41/43/858704143.db2.gz UUNLRFOSMZULOD-XOGYLQAWSA-N 2 1 305.466 1.921 20 30 DDEDMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001277008059 881602587 /nfs/dbraw/zinc/60/25/87/881602587.db2.gz MAFZVGUQCFUSLO-BRWVUGGUSA-N 2 1 305.466 1.615 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001157109066 863583497 /nfs/dbraw/zinc/58/34/97/863583497.db2.gz IIWKTJFLQKVVQR-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001157109066 863583509 /nfs/dbraw/zinc/58/35/09/863583509.db2.gz IIWKTJFLQKVVQR-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001157109066 863583519 /nfs/dbraw/zinc/58/35/19/863583519.db2.gz IIWKTJFLQKVVQR-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287233 863712391 /nfs/dbraw/zinc/71/23/91/863712391.db2.gz JYCPWHXAWXQRFO-QGZVFWFLSA-N 2 1 315.461 1.968 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001157287233 863712406 /nfs/dbraw/zinc/71/24/06/863712406.db2.gz JYCPWHXAWXQRFO-QGZVFWFLSA-N 2 1 315.461 1.968 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001157287233 863712417 /nfs/dbraw/zinc/71/24/17/863712417.db2.gz JYCPWHXAWXQRFO-QGZVFWFLSA-N 2 1 315.461 1.968 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001157287233 863712429 /nfs/dbraw/zinc/71/24/29/863712429.db2.gz JYCPWHXAWXQRFO-QGZVFWFLSA-N 2 1 315.461 1.968 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001330360010 864271123 /nfs/dbraw/zinc/27/11/23/864271123.db2.gz MNMRNRNCPSZPDX-WCXIOVBPSA-N 2 1 307.482 1.833 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC[C@@H]1C ZINC001158472882 864676545 /nfs/dbraw/zinc/67/65/45/864676545.db2.gz FOLYEPNQHTYIAL-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001158472882 864676556 /nfs/dbraw/zinc/67/65/56/864676556.db2.gz FOLYEPNQHTYIAL-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H]1C ZINC001158472882 864676564 /nfs/dbraw/zinc/67/65/64/864676564.db2.gz FOLYEPNQHTYIAL-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001331200843 864938370 /nfs/dbraw/zinc/93/83/70/864938370.db2.gz YOHFVOKJDHCFQV-GVDBMIGSSA-N 2 1 307.482 1.861 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC([NH+](CC)CC)CC2)C1 ZINC001331320581 865010511 /nfs/dbraw/zinc/01/05/11/865010511.db2.gz OOATUPHKNOIWFL-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC([NH+](CC)CC)CC2)C1 ZINC001331320581 865010515 /nfs/dbraw/zinc/01/05/15/865010515.db2.gz OOATUPHKNOIWFL-INIZCTEOSA-N 2 1 320.481 1.600 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001159725265 865484515 /nfs/dbraw/zinc/48/45/15/865484515.db2.gz GUUJDWHFECLPHJ-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001159725265 865484520 /nfs/dbraw/zinc/48/45/20/865484520.db2.gz GUUJDWHFECLPHJ-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725265 865484526 /nfs/dbraw/zinc/48/45/26/865484526.db2.gz GUUJDWHFECLPHJ-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001159725265 865484532 /nfs/dbraw/zinc/48/45/32/865484532.db2.gz GUUJDWHFECLPHJ-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001319817919 866313761 /nfs/dbraw/zinc/31/37/61/866313761.db2.gz OSEMLXFDVCECCL-JKSUJKDBSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CC(C)C)CC1 ZINC001324406661 867261585 /nfs/dbraw/zinc/26/15/85/867261585.db2.gz AWQHYFFITRCENM-UHFFFAOYSA-N 2 1 316.449 1.774 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](F)CC)CC1 ZINC001322308740 868109166 /nfs/dbraw/zinc/10/91/66/868109166.db2.gz ZKPRGQVBSSYADS-ZBFHGGJFSA-N 2 1 311.445 1.516 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC001336782107 869137972 /nfs/dbraw/zinc/13/79/72/869137972.db2.gz XAAUHKQXLZQSRP-OALUTQOASA-N 2 1 316.445 1.548 20 30 DDEDMP N#CN=C(Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1)c1ccncc1 ZINC001164510728 869246419 /nfs/dbraw/zinc/24/64/19/869246419.db2.gz RLQCLBQLHJPCFX-UHFFFAOYSA-N 2 1 317.356 1.565 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001317049283 870163830 /nfs/dbraw/zinc/16/38/30/870163830.db2.gz JSUXIZJNWZHTNA-HDICACEKSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001317049283 870163836 /nfs/dbraw/zinc/16/38/36/870163836.db2.gz JSUXIZJNWZHTNA-HDICACEKSA-N 2 1 317.477 1.951 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317117228 870285022 /nfs/dbraw/zinc/28/50/22/870285022.db2.gz UBYJDLVBJLQUGU-YHUYYLMFSA-N 2 1 309.454 1.156 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317337288 870666720 /nfs/dbraw/zinc/66/67/20/870666720.db2.gz KSFPKYCHNFCJIF-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317375164 870733630 /nfs/dbraw/zinc/73/36/30/870733630.db2.gz HTYGJODGMYECHK-CQSZACIVSA-N 2 1 318.421 1.296 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317375164 870733640 /nfs/dbraw/zinc/73/36/40/870733640.db2.gz HTYGJODGMYECHK-CQSZACIVSA-N 2 1 318.421 1.296 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001203853323 870794648 /nfs/dbraw/zinc/79/46/48/870794648.db2.gz QODOIVXJQSHONI-IYBDPMFKSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCO[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001340745591 871327364 /nfs/dbraw/zinc/32/73/64/871327364.db2.gz AOEAMSKUYOCULW-ROUUACIJSA-N 2 1 304.434 1.544 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205586484 871643516 /nfs/dbraw/zinc/64/35/16/871643516.db2.gz UTIWZGYGGGGAPJ-UHFFFAOYSA-N 2 1 306.410 1.364 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001318370028 871963936 /nfs/dbraw/zinc/96/39/36/871963936.db2.gz DKQVUAQLZLEAKQ-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549006 872431418 /nfs/dbraw/zinc/43/14/18/872431418.db2.gz SUPSFEOKFFQOOQ-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001319559475 872692921 /nfs/dbraw/zinc/69/29/21/872692921.db2.gz RUGIXFUKFWHLOZ-KRWDZBQOSA-N 2 1 315.461 1.816 20 30 DDEDMP C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207398123 873234009 /nfs/dbraw/zinc/23/40/09/873234009.db2.gz WYKIJSWSICUPFQ-QGZVFWFLSA-N 2 1 318.465 1.864 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001208279245 873955821 /nfs/dbraw/zinc/95/58/21/873955821.db2.gz LIFWCIFUPKBUFW-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209161993 874700657 /nfs/dbraw/zinc/70/06/57/874700657.db2.gz QBMGPHRJMGAKIS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209161993 874700661 /nfs/dbraw/zinc/70/06/61/874700661.db2.gz QBMGPHRJMGAKIS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209161993 874700649 /nfs/dbraw/zinc/70/06/49/874700649.db2.gz QBMGPHRJMGAKIS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001209161993 874700653 /nfs/dbraw/zinc/70/06/53/874700653.db2.gz QBMGPHRJMGAKIS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209640380 875028305 /nfs/dbraw/zinc/02/83/05/875028305.db2.gz BMBSGPWGDOJKAH-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP COCC#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227308375 882964309 /nfs/dbraw/zinc/96/43/09/882964309.db2.gz UXGRCJYJBQBZFA-KRWDZBQOSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)[C@H](OC)C1 ZINC001213559661 875980325 /nfs/dbraw/zinc/98/03/25/875980325.db2.gz PECKWFUOQYWWEQ-FVQBIDKESA-N 2 1 320.437 1.370 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)[C@H](OC)C1 ZINC001213559661 875980332 /nfs/dbraw/zinc/98/03/32/875980332.db2.gz PECKWFUOQYWWEQ-FVQBIDKESA-N 2 1 320.437 1.370 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393108 876696730 /nfs/dbraw/zinc/69/67/30/876696730.db2.gz OJJRIOFHEAESMY-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393108 876696736 /nfs/dbraw/zinc/69/67/36/876696736.db2.gz OJJRIOFHEAESMY-BRWVUGGUSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001379485981 877184900 /nfs/dbraw/zinc/18/49/00/877184900.db2.gz WLNHQESTLMISKS-KBPBESRZSA-N 2 1 317.861 1.069 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001379485981 877184905 /nfs/dbraw/zinc/18/49/05/877184905.db2.gz WLNHQESTLMISKS-KBPBESRZSA-N 2 1 317.861 1.069 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646641 877635617 /nfs/dbraw/zinc/63/56/17/877635617.db2.gz XCAUHHGEGDAOLO-JKSUJKDBSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646641 877635624 /nfs/dbraw/zinc/63/56/24/877635624.db2.gz XCAUHHGEGDAOLO-JKSUJKDBSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646641 877635633 /nfs/dbraw/zinc/63/56/33/877635633.db2.gz XCAUHHGEGDAOLO-JKSUJKDBSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]2C1 ZINC001218646641 877635644 /nfs/dbraw/zinc/63/56/44/877635644.db2.gz XCAUHHGEGDAOLO-JKSUJKDBSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877771 880129161 /nfs/dbraw/zinc/12/91/61/880129161.db2.gz IFNDFPDWCRHVHW-ZACQAIPSSA-N 2 1 305.466 1.519 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877771 880129163 /nfs/dbraw/zinc/12/91/63/880129163.db2.gz IFNDFPDWCRHVHW-ZACQAIPSSA-N 2 1 305.466 1.519 20 30 DDEDMP N#Cc1ccc2c(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)c[nH]c2c1 ZINC001222094389 880241196 /nfs/dbraw/zinc/24/11/96/880241196.db2.gz DXWKMSUQHKOOFG-UHFFFAOYSA-N 2 1 309.417 1.567 20 30 DDEDMP N#Cc1ccc(F)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1F ZINC001222502731 880519709 /nfs/dbraw/zinc/51/97/09/880519709.db2.gz RCUVLXMWHOCCCF-GJZGRUSLSA-N 2 1 306.360 1.362 20 30 DDEDMP COCC#CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001229199568 883867128 /nfs/dbraw/zinc/86/71/28/883867128.db2.gz CLGSJLFZMQLWSR-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001229616041 884080832 /nfs/dbraw/zinc/08/08/32/884080832.db2.gz BXJRYVDJSWEUTO-UHFFFAOYSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001277656295 886318548 /nfs/dbraw/zinc/31/85/48/886318548.db2.gz ZFLGLVGLSKCQAY-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235467780 888662948 /nfs/dbraw/zinc/66/29/48/888662948.db2.gz RRDYVTOGCBRUTE-MAUKXSAKSA-N 2 1 321.465 1.744 20 30 DDEDMP C#CCOc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1OC ZINC001235992811 889050628 /nfs/dbraw/zinc/05/06/28/889050628.db2.gz MHZQUQLTRBOKCF-MVVMVCHASA-N 2 1 316.401 1.113 20 30 DDEDMP C#CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1OC ZINC001235992811 889050643 /nfs/dbraw/zinc/05/06/43/889050643.db2.gz MHZQUQLTRBOKCF-MVVMVCHASA-N 2 1 316.401 1.113 20 30 DDEDMP N#C[C@@H]1C[C@@H]([N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)CCN1 ZINC001246682411 892784277 /nfs/dbraw/zinc/78/42/77/892784277.db2.gz CIGSBRMUAXCBIG-OKYOBFRVSA-N 2 1 310.445 1.710 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCN2CCOCC2)[C@H]1C ZINC001278520257 894050580 /nfs/dbraw/zinc/05/05/80/894050580.db2.gz DAYHIWZDKZEKPJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001278520257 894050616 /nfs/dbraw/zinc/05/06/16/894050616.db2.gz DAYHIWZDKZEKPJ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001252614828 895315553 /nfs/dbraw/zinc/31/55/53/895315553.db2.gz PTVDAZYABHAZCJ-IBGZPJMESA-N 2 1 317.477 1.851 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001278747278 896157343 /nfs/dbraw/zinc/15/73/43/896157343.db2.gz JXESLZZAZMUZIK-AWEZNQCLSA-N 2 1 317.424 1.978 20 30 DDEDMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)CCOC ZINC001279048509 897952737 /nfs/dbraw/zinc/95/27/37/897952737.db2.gz CIZLCIZDUZXGRT-OAHLLOKOSA-N 2 1 320.437 1.005 20 30 DDEDMP C=CC[N@H+](CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)CCOC ZINC001279048509 897952747 /nfs/dbraw/zinc/95/27/47/897952747.db2.gz CIZLCIZDUZXGRT-OAHLLOKOSA-N 2 1 320.437 1.005 20 30 DDEDMP C=CCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001262581340 900260025 /nfs/dbraw/zinc/26/00/25/900260025.db2.gz PHXHAEDOTJSAFQ-IYBDPMFKSA-N 2 1 306.454 1.563 20 30 DDEDMP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001263103790 900500778 /nfs/dbraw/zinc/50/07/78/900500778.db2.gz MDHGZXIWLNIAJT-HOTGVXAUSA-N 2 1 312.502 1.426 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001264401453 901088547 /nfs/dbraw/zinc/08/85/47/901088547.db2.gz BCEISPJMCIQFBG-OAGGEKHMSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001264421779 901108418 /nfs/dbraw/zinc/10/84/18/901108418.db2.gz SXFGUWJMCJNXIK-RBSFLKMASA-N 2 1 302.422 1.514 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264652055 901247619 /nfs/dbraw/zinc/24/76/19/901247619.db2.gz RKIOMVSKHBRNKR-FGTMMUONSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001265218897 901727604 /nfs/dbraw/zinc/72/76/04/901727604.db2.gz OACGRPLXKXPRNE-MRXNPFEDSA-N 2 1 321.465 1.398 20 30 DDEDMP C=C(C)C[NH+]1CCN(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001265266619 901790557 /nfs/dbraw/zinc/79/05/57/901790557.db2.gz UYEQHXGSCWTKCI-CALCHBBNSA-N 2 1 322.497 1.169 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265391140 901959604 /nfs/dbraw/zinc/95/96/04/901959604.db2.gz UNBUXHXEYWPGDF-AWEZNQCLSA-N 2 1 318.421 1.153 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265391140 901959614 /nfs/dbraw/zinc/95/96/14/901959614.db2.gz UNBUXHXEYWPGDF-AWEZNQCLSA-N 2 1 318.421 1.153 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266008672 902746841 /nfs/dbraw/zinc/74/68/41/902746841.db2.gz GZWOLDOKAREHDS-CVEARBPZSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001280197887 903544253 /nfs/dbraw/zinc/54/42/53/903544253.db2.gz LFWCNPYIRZQKCX-CRAIPNDOSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC001280678586 903913993 /nfs/dbraw/zinc/91/39/93/903913993.db2.gz AWBUSPOOCTZWNQ-KRWDZBQOSA-N 2 1 317.433 1.121 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CCO1 ZINC001280678586 903914007 /nfs/dbraw/zinc/91/40/07/903914007.db2.gz AWBUSPOOCTZWNQ-KRWDZBQOSA-N 2 1 317.433 1.121 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001282676968 905939635 /nfs/dbraw/zinc/93/96/35/905939635.db2.gz WOENFGZDSAMHBG-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001282676968 905939652 /nfs/dbraw/zinc/93/96/52/905939652.db2.gz WOENFGZDSAMHBG-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001282676968 905939667 /nfs/dbraw/zinc/93/96/67/905939667.db2.gz WOENFGZDSAMHBG-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CCOCC)CC1 ZINC001283311335 907106630 /nfs/dbraw/zinc/10/66/30/907106630.db2.gz VEXRUCGVXAQMSJ-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CCOCC)CC1 ZINC001283311335 907106639 /nfs/dbraw/zinc/10/66/39/907106639.db2.gz VEXRUCGVXAQMSJ-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCOCC)CC1 ZINC001283311335 907106647 /nfs/dbraw/zinc/10/66/47/907106647.db2.gz VEXRUCGVXAQMSJ-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCOCC)CC1 ZINC001283311335 907106652 /nfs/dbraw/zinc/10/66/52/907106652.db2.gz VEXRUCGVXAQMSJ-KRWDZBQOSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CN(C)CCO3)CCC[C@@H]12 ZINC001284045140 908377188 /nfs/dbraw/zinc/37/71/88/908377188.db2.gz MVAURLXAFNLDLX-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001284227124 908689073 /nfs/dbraw/zinc/68/90/73/908689073.db2.gz QDRDVXBKGBJYFT-CVEARBPZSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001284503273 909099254 /nfs/dbraw/zinc/09/92/54/909099254.db2.gz ZOGUGQHUTWQNHD-HNNXBMFYSA-N 2 1 316.405 1.193 20 30 DDEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001373289119 909421795 /nfs/dbraw/zinc/42/17/95/909421795.db2.gz CHGHURHTOHCLPP-ZFWWWQNUSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001373289119 909421803 /nfs/dbraw/zinc/42/18/03/909421803.db2.gz CHGHURHTOHCLPP-ZFWWWQNUSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001373289119 909421808 /nfs/dbraw/zinc/42/18/08/909421808.db2.gz CHGHURHTOHCLPP-ZFWWWQNUSA-N 2 1 313.873 1.861 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001394452972 909660261 /nfs/dbraw/zinc/66/02/61/909660261.db2.gz SLHRUFFTJTUTNJ-UKRRQHHQSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001375898130 917222135 /nfs/dbraw/zinc/22/21/35/917222135.db2.gz RXXLGXJZGRPTDL-GDBMZVCRSA-N 2 1 313.873 1.909 20 30 DDEDMP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001377452357 921962167 /nfs/dbraw/zinc/96/21/67/921962167.db2.gz LUKWIMKHLVQBPG-ZDUSSCGKSA-N 2 1 320.462 1.510 20 30 DDEDMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cn2)CC1 ZINC000424194273 529778259 /nfs/dbraw/zinc/77/82/59/529778259.db2.gz LGPIUAMGJSDRRJ-DZGCQCFKSA-N 2 1 300.410 1.010 20 30 DDEDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000066498121 353001168 /nfs/dbraw/zinc/00/11/68/353001168.db2.gz RSDBUVCWZWOJMK-UHFFFAOYSA-N 2 1 314.433 1.470 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081592125 353683604 /nfs/dbraw/zinc/68/36/04/353683604.db2.gz PFPWKPWYCAAUPC-CVEARBPZSA-N 2 1 306.454 1.555 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)CN[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000320909521 354529960 /nfs/dbraw/zinc/52/99/60/354529960.db2.gz UWXRAMSMCOIKFB-BPQIPLTHSA-N 2 1 315.417 1.514 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492614 355599270 /nfs/dbraw/zinc/59/92/70/355599270.db2.gz BSLDDQFHRAJIKA-ZNMIVQPWSA-N 2 1 322.453 1.098 20 30 DDEDMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1C#N ZINC000618192314 363497228 /nfs/dbraw/zinc/49/72/28/363497228.db2.gz HXGYIWCLMLLBOA-UHFFFAOYSA-N 2 1 300.450 1.984 20 30 DDEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306864 357886354 /nfs/dbraw/zinc/88/63/54/357886354.db2.gz DGWGQTXPBXOWCS-SJORKVTESA-N 2 1 323.481 1.721 20 30 DDEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306864 357886359 /nfs/dbraw/zinc/88/63/59/357886359.db2.gz DGWGQTXPBXOWCS-SJORKVTESA-N 2 1 323.481 1.721 20 30 DDEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306864 357886366 /nfs/dbraw/zinc/88/63/66/357886366.db2.gz DGWGQTXPBXOWCS-SJORKVTESA-N 2 1 323.481 1.721 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600720922 358295474 /nfs/dbraw/zinc/29/54/74/358295474.db2.gz IYPURCORCILPBF-INIZCTEOSA-N 2 1 307.438 1.298 20 30 DDEDMP Cc1cc(C#N)cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601115570 358408377 /nfs/dbraw/zinc/40/83/77/358408377.db2.gz IVWZKFYODPQDDZ-KRWDZBQOSA-N 2 1 313.449 1.866 20 30 DDEDMP Cc1cc(C#N)cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000601115570 358408378 /nfs/dbraw/zinc/40/83/78/358408378.db2.gz IVWZKFYODPQDDZ-KRWDZBQOSA-N 2 1 313.449 1.866 20 30 DDEDMP C[C@H](CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C[NH+]1CCCC1 ZINC000329924358 223048256 /nfs/dbraw/zinc/04/82/56/223048256.db2.gz UYFRBUMAZADKHL-HUUCEWRRSA-N 2 1 319.453 1.681 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@H](C)C1 ZINC000610812867 360542909 /nfs/dbraw/zinc/54/29/09/360542909.db2.gz NNOFOEDOJUSCTC-AEFFLSMTSA-N 2 1 322.497 1.701 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001120439444 781944078 /nfs/dbraw/zinc/94/40/78/781944078.db2.gz GOFHEHLVIVQPQQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439444 781944086 /nfs/dbraw/zinc/94/40/86/781944086.db2.gz GOFHEHLVIVQPQQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001120439444 781944093 /nfs/dbraw/zinc/94/40/93/781944093.db2.gz GOFHEHLVIVQPQQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000104180105 407348267 /nfs/dbraw/zinc/34/82/67/407348267.db2.gz ZWPZURVSGPDTIK-OAHLLOKOSA-N 2 1 318.465 1.968 20 30 DDEDMP CC(C)CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000104180105 407348268 /nfs/dbraw/zinc/34/82/68/407348268.db2.gz ZWPZURVSGPDTIK-OAHLLOKOSA-N 2 1 318.465 1.968 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCCC[C@@H]1O)[C@@H]1CCCC[C@@H]1O ZINC000342116750 409565950 /nfs/dbraw/zinc/56/59/50/409565950.db2.gz ASKMUQWZBQSYOK-BDXSIMOUSA-N 2 1 308.466 1.460 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000357652284 410163683 /nfs/dbraw/zinc/16/36/83/410163683.db2.gz LMUIFKZTAYAWBT-HOTGVXAUSA-N 2 1 312.498 1.667 20 30 DDEDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000358163221 410386679 /nfs/dbraw/zinc/38/66/79/410386679.db2.gz IRYWHVFEHCEUMM-KRWDZBQOSA-N 2 1 303.406 1.525 20 30 DDEDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(OCCCC#N)c2)C1 ZINC000358163221 410386692 /nfs/dbraw/zinc/38/66/92/410386692.db2.gz IRYWHVFEHCEUMM-KRWDZBQOSA-N 2 1 303.406 1.525 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000299167753 410553294 /nfs/dbraw/zinc/55/32/94/410553294.db2.gz VFYMADGDHAZUHY-OAHLLOKOSA-N 2 1 303.406 1.344 20 30 DDEDMP C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000341899843 411082539 /nfs/dbraw/zinc/08/25/39/411082539.db2.gz HNIIMBXGXAGSNK-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000341899843 411082545 /nfs/dbraw/zinc/08/25/45/411082545.db2.gz HNIIMBXGXAGSNK-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C)[C@@H]2CO)[C@H]1CO ZINC000341899843 411082549 /nfs/dbraw/zinc/08/25/49/411082549.db2.gz HNIIMBXGXAGSNK-MHORFTMASA-N 2 1 308.466 1.175 20 30 DDEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1F ZINC000423169171 227384253 /nfs/dbraw/zinc/38/42/53/227384253.db2.gz ZHAWAQPSOBYSLS-UAGQMJEPSA-N 2 1 303.381 1.944 20 30 DDEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21 ZINC000360790510 418519179 /nfs/dbraw/zinc/51/91/79/418519179.db2.gz AWIIYVPJLLTMDF-HZMVEIRTSA-N 2 1 309.454 1.784 20 30 DDEDMP C[NH+]=C(NCCn1ccnc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261958188 222263073 /nfs/dbraw/zinc/26/30/73/222263073.db2.gz JIZLDZFGVINXCQ-UKRRQHHQSA-N 3 1 306.458 1.085 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261958188 222263077 /nfs/dbraw/zinc/26/30/77/222263077.db2.gz JIZLDZFGVINXCQ-UKRRQHHQSA-N 3 1 306.458 1.085 20 30 DDEDMP CCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264126839 222322453 /nfs/dbraw/zinc/32/24/53/222322453.db2.gz SKAPCDVJNBXZRL-UHFFFAOYSA-N 2 1 320.437 1.212 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccccc1F ZINC000264143517 222325658 /nfs/dbraw/zinc/32/56/58/222325658.db2.gz XDOFHULNHPVNRZ-CYBMUJFWSA-N 2 1 308.401 1.593 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N1CC[C@@]2(CCOC2)C1 ZINC000262019215 222270874 /nfs/dbraw/zinc/27/08/74/222270874.db2.gz YKYCXZDQDGWNNP-DOTOQJQBSA-N 2 1 308.470 1.549 20 30 DDEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000264073638 222314828 /nfs/dbraw/zinc/31/48/28/222314828.db2.gz DXUUCONMQODIQU-MRXNPFEDSA-N 2 1 317.481 1.914 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000361666906 418698238 /nfs/dbraw/zinc/69/82/38/418698238.db2.gz LFEFTHBTIVBMEP-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361666906 418698241 /nfs/dbraw/zinc/69/82/41/418698241.db2.gz LFEFTHBTIVBMEP-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP CC(C)(C#N)CCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000365392136 418856779 /nfs/dbraw/zinc/85/67/79/418856779.db2.gz NFIPIWMMRAQIQX-UHFFFAOYSA-N 2 1 309.454 1.475 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000424054948 228223450 /nfs/dbraw/zinc/22/34/50/228223450.db2.gz CJALIVGRMMJQOZ-QGZVFWFLSA-N 2 1 314.433 1.742 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424133187 228233016 /nfs/dbraw/zinc/23/30/16/228233016.db2.gz JDZKFROXPSBMLS-HZPDHXFCSA-N 2 1 300.406 1.398 20 30 DDEDMP C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412176485 419705512 /nfs/dbraw/zinc/70/55/12/419705512.db2.gz QEPBZOYXADIEGM-OWCLPIDISA-N 2 1 308.470 1.942 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccnc(C#N)c2)CC1 ZINC000527527236 421396339 /nfs/dbraw/zinc/39/63/39/421396339.db2.gz XFEPOADFLIIQAC-UHFFFAOYSA-N 2 1 322.372 1.352 20 30 DDEDMP C=CC[C@@]1(C(=O)N2CC[N@H+](CCOC)[C@H](CCC)C2)CCC[NH2+]1 ZINC000662825754 424780127 /nfs/dbraw/zinc/78/01/27/424780127.db2.gz NGEFUVYULVQLAZ-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[C@@]1(C(=O)N2CC[N@@H+](CCOC)[C@H](CCC)C2)CCC[NH2+]1 ZINC000662825754 424780131 /nfs/dbraw/zinc/78/01/31/424780131.db2.gz NGEFUVYULVQLAZ-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261997486 276095474 /nfs/dbraw/zinc/09/54/74/276095474.db2.gz STMOMUOUGTZMLR-GOEBONIOSA-N 2 1 322.497 1.719 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000491645007 526812197 /nfs/dbraw/zinc/81/21/97/526812197.db2.gz MNEIAFRFFIXRNX-INIZCTEOSA-N 2 1 306.454 1.069 20 30 DDEDMP C=CCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000347135973 526861516 /nfs/dbraw/zinc/86/15/16/526861516.db2.gz SZBDBXPVPVMGHC-UHFFFAOYSA-N 2 1 303.406 1.115 20 30 DDEDMP C=CCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000347135973 526861522 /nfs/dbraw/zinc/86/15/22/526861522.db2.gz SZBDBXPVPVMGHC-UHFFFAOYSA-N 2 1 303.406 1.115 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000491095033 526921630 /nfs/dbraw/zinc/92/16/30/526921630.db2.gz JDDTZBCBSMBXHB-JFIYKMOQSA-N 2 1 317.477 1.520 20 30 DDEDMP CCC[NH+]1CCC(N(C)C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330235941 528189013 /nfs/dbraw/zinc/18/90/13/528189013.db2.gz ABOWPASZWDYGSY-CQSZACIVSA-N 2 1 319.453 1.918 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974760901 695728540 /nfs/dbraw/zinc/72/85/40/695728540.db2.gz WRQRDXXWDBQJRP-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974760901 695728542 /nfs/dbraw/zinc/72/85/42/695728542.db2.gz WRQRDXXWDBQJRP-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974760901 695728545 /nfs/dbraw/zinc/72/85/45/695728545.db2.gz WRQRDXXWDBQJRP-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C(C)(C)C1 ZINC000974760901 695728547 /nfs/dbraw/zinc/72/85/47/695728547.db2.gz WRQRDXXWDBQJRP-RBSFLKMASA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)C)C2)CC1 ZINC000980478759 696783256 /nfs/dbraw/zinc/78/32/56/696783256.db2.gz PHSANTDSEMODJR-KRWDZBQOSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162686 697045965 /nfs/dbraw/zinc/04/59/65/697045965.db2.gz ZKSMLLWDLPBSOE-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162686 697045967 /nfs/dbraw/zinc/04/59/67/697045967.db2.gz ZKSMLLWDLPBSOE-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162686 697045969 /nfs/dbraw/zinc/04/59/69/697045969.db2.gz ZKSMLLWDLPBSOE-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981332353 697067979 /nfs/dbraw/zinc/06/79/79/697067979.db2.gz UWZPNGYRSYBNOL-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332353 697067980 /nfs/dbraw/zinc/06/79/80/697067980.db2.gz UWZPNGYRSYBNOL-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981332353 697067982 /nfs/dbraw/zinc/06/79/82/697067982.db2.gz UWZPNGYRSYBNOL-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@@H+](CC=C)C[C@]2(C)C1 ZINC000982298580 697087311 /nfs/dbraw/zinc/08/73/11/697087311.db2.gz IDEMCXZGJFMEPJ-YTQUADARSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[N@H+](CC=C)C[C@]2(C)C1 ZINC000982298580 697087313 /nfs/dbraw/zinc/08/73/13/697087313.db2.gz IDEMCXZGJFMEPJ-YTQUADARSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC=C)C[C@]2(C)C1 ZINC000982298580 697087315 /nfs/dbraw/zinc/08/73/15/697087315.db2.gz IDEMCXZGJFMEPJ-YTQUADARSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CC=C)C[C@]2(C)C1 ZINC000982298580 697087317 /nfs/dbraw/zinc/08/73/17/697087317.db2.gz IDEMCXZGJFMEPJ-YTQUADARSA-N 2 1 315.461 1.440 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308231 697089689 /nfs/dbraw/zinc/08/96/89/697089689.db2.gz UGLOPJLHWSMFFA-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308231 697089690 /nfs/dbraw/zinc/08/96/90/697089690.db2.gz UGLOPJLHWSMFFA-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308231 697089695 /nfs/dbraw/zinc/08/96/95/697089695.db2.gz UGLOPJLHWSMFFA-NXHRZFHOSA-N 2 1 305.466 1.827 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@](C)(O)c1ccccc1 ZINC000186890840 697539083 /nfs/dbraw/zinc/53/90/83/697539083.db2.gz GIMVRTFRVXKLKM-WMZOPIPTSA-N 2 1 318.465 1.673 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000985683939 697555359 /nfs/dbraw/zinc/55/53/59/697555359.db2.gz YSMYMIOEXKIHHC-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000985683939 697555360 /nfs/dbraw/zinc/55/53/60/697555360.db2.gz YSMYMIOEXKIHHC-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000989673618 698720042 /nfs/dbraw/zinc/72/00/42/698720042.db2.gz UNJDJOLLIHGIOB-QGZVFWFLSA-N 2 1 323.481 1.455 20 30 DDEDMP C[NH+]1CCC(C#N)(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810118812 701733100 /nfs/dbraw/zinc/73/31/00/701733100.db2.gz FFWNVGWPOJEZFG-MRXNPFEDSA-N 2 1 310.417 1.303 20 30 DDEDMP CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000867960144 701855628 /nfs/dbraw/zinc/85/56/28/701855628.db2.gz HMOQMLOODYDFGT-WMZOPIPTSA-N 2 1 324.428 1.440 20 30 DDEDMP CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000867960144 701855634 /nfs/dbraw/zinc/85/56/34/701855634.db2.gz HMOQMLOODYDFGT-WMZOPIPTSA-N 2 1 324.428 1.440 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000867972695 701865875 /nfs/dbraw/zinc/86/58/75/701865875.db2.gz IDUPLOCOEXHFRN-SFHVURJKSA-N 2 1 318.380 1.987 20 30 DDEDMP Cc1cc(N(C)C)ccc1C=[NH+]NC(=S)NCCC[NH+](C)C ZINC000841623664 702512092 /nfs/dbraw/zinc/51/20/92/702512092.db2.gz OOCRIUDQYDLILP-UHFFFAOYSA-N 2 1 321.494 1.811 20 30 DDEDMP C=C(C)CONC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000845597030 703179927 /nfs/dbraw/zinc/17/99/27/703179927.db2.gz ADEQAOZGRDAIDJ-OAHLLOKOSA-N 2 1 312.458 1.552 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)C(C)C ZINC000848991494 703607949 /nfs/dbraw/zinc/60/79/49/703607949.db2.gz JMDWFWZFISBSMP-HOTGVXAUSA-N 2 1 308.470 1.930 20 30 DDEDMP C#CCOCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000851802562 703859893 /nfs/dbraw/zinc/85/98/93/703859893.db2.gz JHKOORNXIFYVNL-UHFFFAOYSA-N 2 1 321.509 1.764 20 30 DDEDMP C#CCOCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000851802562 703859896 /nfs/dbraw/zinc/85/98/96/703859896.db2.gz JHKOORNXIFYVNL-UHFFFAOYSA-N 3 1 321.509 1.764 20 30 DDEDMP C#CCOCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000851802562 703859898 /nfs/dbraw/zinc/85/98/98/703859898.db2.gz JHKOORNXIFYVNL-UHFFFAOYSA-N 3 1 321.509 1.764 20 30 DDEDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314851 704861579 /nfs/dbraw/zinc/86/15/79/704861579.db2.gz AQFMEVCDKQKYMC-WMZOPIPTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314851 704861584 /nfs/dbraw/zinc/86/15/84/704861584.db2.gz AQFMEVCDKQKYMC-WMZOPIPTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)C1 ZINC000859314851 704861590 /nfs/dbraw/zinc/86/15/90/704861590.db2.gz AQFMEVCDKQKYMC-WMZOPIPTSA-N 2 1 321.465 1.475 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000876948277 705934505 /nfs/dbraw/zinc/93/45/05/705934505.db2.gz KJZHEOVIRICDFF-CVEARBPZSA-N 2 1 321.852 1.842 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000876948277 705934508 /nfs/dbraw/zinc/93/45/08/705934508.db2.gz KJZHEOVIRICDFF-CVEARBPZSA-N 2 1 321.852 1.842 20 30 DDEDMP C[C@H](CO)[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)[C@H](C)CO)c1 ZINC000878574294 706430895 /nfs/dbraw/zinc/43/08/95/706430895.db2.gz PGAPYGSMCOPJDA-ZIAGYGMSSA-N 2 1 305.422 1.183 20 30 DDEDMP C#CC[C@@H](COC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872216599 707333515 /nfs/dbraw/zinc/33/35/15/707333515.db2.gz XZHHFRRWGKEPEG-ZWKOTPCHSA-N 2 1 302.418 1.251 20 30 DDEDMP C#CC[C@@H](COC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872216599 707333518 /nfs/dbraw/zinc/33/35/18/707333518.db2.gz XZHHFRRWGKEPEG-ZWKOTPCHSA-N 2 1 302.418 1.251 20 30 DDEDMP C#CC[C@H](CCOC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872216534 707333579 /nfs/dbraw/zinc/33/35/79/707333579.db2.gz WTDSZGIKYGMQGJ-RTBURBONSA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[C@H](CCOC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872216534 707333584 /nfs/dbraw/zinc/33/35/84/707333584.db2.gz WTDSZGIKYGMQGJ-RTBURBONSA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000836488903 707470910 /nfs/dbraw/zinc/47/09/10/707470910.db2.gz QRJFNXXEWUJBNT-KRWDZBQOSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1C[NH+](C)Cc2ccccc21 ZINC000836488903 707470913 /nfs/dbraw/zinc/47/09/13/707470913.db2.gz QRJFNXXEWUJBNT-KRWDZBQOSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000836488903 707470916 /nfs/dbraw/zinc/47/09/16/707470916.db2.gz QRJFNXXEWUJBNT-KRWDZBQOSA-N 2 1 314.433 1.427 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000836488903 707470920 /nfs/dbraw/zinc/47/09/20/707470920.db2.gz QRJFNXXEWUJBNT-KRWDZBQOSA-N 2 1 314.433 1.427 20 30 DDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000884188593 708179187 /nfs/dbraw/zinc/17/91/87/708179187.db2.gz LRAWFDFUAJSEAV-FTRJEVOPSA-N 2 1 318.465 1.362 20 30 DDEDMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886229514 708720088 /nfs/dbraw/zinc/72/00/88/708720088.db2.gz QMWPAHSZLNXAMW-MRXNPFEDSA-N 2 1 323.481 1.504 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1 ZINC000886661294 708808668 /nfs/dbraw/zinc/80/86/68/708808668.db2.gz QWXKAAQGZFRDNP-QYZOEREBSA-N 2 1 321.509 1.811 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000888561007 709340502 /nfs/dbraw/zinc/34/05/02/709340502.db2.gz IMCLLHXQJMUMRO-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](CC)C[NH+]2CCCC2)C1 ZINC000888561007 709340505 /nfs/dbraw/zinc/34/05/05/709340505.db2.gz IMCLLHXQJMUMRO-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891921246 710328157 /nfs/dbraw/zinc/32/81/57/710328157.db2.gz LKERNVACRMVABL-KRWDZBQOSA-N 2 1 316.449 1.201 20 30 DDEDMP C=CCNC(NC[C@H](C)CN1CC[NH+](C)CC1)=[NH+]C(C)(C)C ZINC000912496944 711352620 /nfs/dbraw/zinc/35/26/20/711352620.db2.gz IKVZGGSJOWMOOT-HNNXBMFYSA-N 2 1 309.502 1.390 20 30 DDEDMP C=C(C)C[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905455576 712042473 /nfs/dbraw/zinc/04/24/73/712042473.db2.gz ZLWZXEIRDZDRPF-MSOLQXFVSA-N 2 1 304.434 1.540 20 30 DDEDMP C=C(C)C[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905455576 712042474 /nfs/dbraw/zinc/04/24/74/712042474.db2.gz ZLWZXEIRDZDRPF-MSOLQXFVSA-N 2 1 304.434 1.540 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000914150506 713348905 /nfs/dbraw/zinc/34/89/05/713348905.db2.gz VUSGRDDPAXHVDO-NVXWUHKLSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000914161885 713351004 /nfs/dbraw/zinc/35/10/04/713351004.db2.gz IORYEPWNXFUQJW-HNNXBMFYSA-N 2 1 318.465 1.210 20 30 DDEDMP C=CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C(C)C ZINC000917071507 713480876 /nfs/dbraw/zinc/48/08/76/713480876.db2.gz TYJCCSICQADWPO-INIZCTEOSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000917071507 713480878 /nfs/dbraw/zinc/48/08/78/713480878.db2.gz TYJCCSICQADWPO-INIZCTEOSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000917071507 713480880 /nfs/dbraw/zinc/48/08/80/713480880.db2.gz TYJCCSICQADWPO-INIZCTEOSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000923560681 714404204 /nfs/dbraw/zinc/40/42/04/714404204.db2.gz FAXGEZPIJLGQEK-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000923560681 714404205 /nfs/dbraw/zinc/40/42/05/714404205.db2.gz FAXGEZPIJLGQEK-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000923566844 714408273 /nfs/dbraw/zinc/40/82/73/714408273.db2.gz TVFGQIBBSBDFOG-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000923566844 714408276 /nfs/dbraw/zinc/40/82/76/714408276.db2.gz TVFGQIBBSBDFOG-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000923573624 714412361 /nfs/dbraw/zinc/41/23/61/714412361.db2.gz RKIHOWISFPVKGR-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000923573624 714412364 /nfs/dbraw/zinc/41/23/64/714412364.db2.gz RKIHOWISFPVKGR-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000923573624 714412366 /nfs/dbraw/zinc/41/23/66/714412366.db2.gz RKIHOWISFPVKGR-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000923573624 714412369 /nfs/dbraw/zinc/41/23/69/714412369.db2.gz RKIHOWISFPVKGR-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000923573624 714412371 /nfs/dbraw/zinc/41/23/71/714412371.db2.gz RKIHOWISFPVKGR-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000933740896 714660031 /nfs/dbraw/zinc/66/00/31/714660031.db2.gz OWTZRSZKOLBOPK-CJNGLKHVSA-N 2 1 318.446 1.832 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000933740896 714660034 /nfs/dbraw/zinc/66/00/34/714660034.db2.gz OWTZRSZKOLBOPK-CJNGLKHVSA-N 2 1 318.446 1.832 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000933740896 714660036 /nfs/dbraw/zinc/66/00/36/714660036.db2.gz OWTZRSZKOLBOPK-CJNGLKHVSA-N 2 1 318.446 1.832 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000933740896 714660037 /nfs/dbraw/zinc/66/00/37/714660037.db2.gz OWTZRSZKOLBOPK-CJNGLKHVSA-N 2 1 318.446 1.832 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC000960286604 716480255 /nfs/dbraw/zinc/48/02/55/716480255.db2.gz GEOTZQCBGPVUGI-LISAXSMJSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960286604 716480257 /nfs/dbraw/zinc/48/02/57/716480257.db2.gz GEOTZQCBGPVUGI-LISAXSMJSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC000960286604 716480262 /nfs/dbraw/zinc/48/02/62/716480262.db2.gz GEOTZQCBGPVUGI-LISAXSMJSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960289933 716481105 /nfs/dbraw/zinc/48/11/05/716481105.db2.gz NQOMWGQURQKQKN-TWMKSMIVSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960289933 716481107 /nfs/dbraw/zinc/48/11/07/716481107.db2.gz NQOMWGQURQKQKN-TWMKSMIVSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960289933 716481110 /nfs/dbraw/zinc/48/11/10/716481110.db2.gz NQOMWGQURQKQKN-TWMKSMIVSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281875 716894968 /nfs/dbraw/zinc/89/49/68/716894968.db2.gz IJKJQBUHLBQDEE-IRXDYDNUSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940647253 716896168 /nfs/dbraw/zinc/89/61/68/716896168.db2.gz OMZUANUPAMSKGS-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940647253 716896174 /nfs/dbraw/zinc/89/61/74/716896174.db2.gz OMZUANUPAMSKGS-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647253 716896179 /nfs/dbraw/zinc/89/61/79/716896179.db2.gz OMZUANUPAMSKGS-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940647253 716896185 /nfs/dbraw/zinc/89/61/85/716896185.db2.gz OMZUANUPAMSKGS-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961607482 717026717 /nfs/dbraw/zinc/02/67/17/717026717.db2.gz OBRXZDXJEQQXMC-QMCVQRASSA-N 2 1 314.433 1.376 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000961607482 717026723 /nfs/dbraw/zinc/02/67/23/717026723.db2.gz OBRXZDXJEQQXMC-QMCVQRASSA-N 2 1 314.433 1.376 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582069 717762550 /nfs/dbraw/zinc/76/25/50/717762550.db2.gz RORAOFZBHHCQFU-UKRRQHHQSA-N 2 1 303.406 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943876271 718213443 /nfs/dbraw/zinc/21/34/43/718213443.db2.gz HRUJHNQYLOYSAD-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779957 718906828 /nfs/dbraw/zinc/90/68/28/718906828.db2.gz WQIBFJKXNRWKJS-WCXIOVBPSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779957 718906830 /nfs/dbraw/zinc/90/68/30/718906830.db2.gz WQIBFJKXNRWKJS-WCXIOVBPSA-N 2 1 305.466 1.541 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779957 718906831 /nfs/dbraw/zinc/90/68/31/718906831.db2.gz WQIBFJKXNRWKJS-WCXIOVBPSA-N 2 1 305.466 1.541 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379369 719545333 /nfs/dbraw/zinc/54/53/33/719545333.db2.gz XJLMENVJNTZGPW-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000968379369 719545336 /nfs/dbraw/zinc/54/53/36/719545336.db2.gz XJLMENVJNTZGPW-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000948705607 719659247 /nfs/dbraw/zinc/65/92/47/719659247.db2.gz IFUKURPGNTWRAO-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000948705607 719659253 /nfs/dbraw/zinc/65/92/53/719659253.db2.gz IFUKURPGNTWRAO-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948705607 719659255 /nfs/dbraw/zinc/65/92/55/719659255.db2.gz IFUKURPGNTWRAO-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000948705607 719659260 /nfs/dbraw/zinc/65/92/60/719659260.db2.gz IFUKURPGNTWRAO-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968907678 719860393 /nfs/dbraw/zinc/86/03/93/719860393.db2.gz XEERJLNNHOLBSI-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968907678 719860398 /nfs/dbraw/zinc/86/03/98/719860398.db2.gz XEERJLNNHOLBSI-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968907678 719860403 /nfs/dbraw/zinc/86/04/03/719860403.db2.gz XEERJLNNHOLBSI-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968907678 719860407 /nfs/dbraw/zinc/86/04/07/719860407.db2.gz XEERJLNNHOLBSI-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC000949114473 719914977 /nfs/dbraw/zinc/91/49/77/719914977.db2.gz ACPZLWLGHULMIM-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969829151 720313866 /nfs/dbraw/zinc/31/38/66/720313866.db2.gz AFGOYIMASJSYAS-MAUKXSAKSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000970427829 720758160 /nfs/dbraw/zinc/75/81/60/720758160.db2.gz JUUZVUQQVIGBQS-HNNXBMFYSA-N 2 1 313.445 1.474 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550337 735305267 /nfs/dbraw/zinc/30/52/67/735305267.db2.gz ZEUYLNQTAOBXCQ-ROUUACIJSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023550337 735305269 /nfs/dbraw/zinc/30/52/69/735305269.db2.gz ZEUYLNQTAOBXCQ-ROUUACIJSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023550337 735305271 /nfs/dbraw/zinc/30/52/71/735305271.db2.gz ZEUYLNQTAOBXCQ-ROUUACIJSA-N 2 1 319.493 1.960 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972672835 735456693 /nfs/dbraw/zinc/45/66/93/735456693.db2.gz AWFDIFQFQBTFMO-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972672835 735456695 /nfs/dbraw/zinc/45/66/95/735456695.db2.gz AWFDIFQFQBTFMO-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001100678616 735865870 /nfs/dbraw/zinc/86/58/70/735865870.db2.gz QRLAGUMZCHMBHD-MQBCKMQZSA-N 2 1 311.445 1.869 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001020594745 732543742 /nfs/dbraw/zinc/54/37/42/732543742.db2.gz XQCFWJXCHMZYIX-HDJSIYSDSA-N 2 1 318.421 1.697 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C1 ZINC001083192643 732560149 /nfs/dbraw/zinc/56/01/49/732560149.db2.gz KCYKKXSKVASQTR-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167096178 732587766 /nfs/dbraw/zinc/58/77/66/732587766.db2.gz VMEQBBHJPSVZJX-MSOLQXFVSA-N 2 1 313.445 1.451 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001039278754 733408042 /nfs/dbraw/zinc/40/80/42/733408042.db2.gz ADYASWSOXKJERP-HMQMGEFJSA-N 2 1 303.450 1.606 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001021895776 733648495 /nfs/dbraw/zinc/64/84/95/733648495.db2.gz RDTSKPPLYCKQMT-BBWFWOEESA-N 2 1 312.417 1.389 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001100513555 733678179 /nfs/dbraw/zinc/67/81/79/733678179.db2.gz ABEQALXVJRGNIB-UHFFFAOYSA-N 2 1 314.433 1.270 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355366 733708412 /nfs/dbraw/zinc/70/84/12/733708412.db2.gz ZEFKLRUELVHPKO-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001027930539 738828651 /nfs/dbraw/zinc/82/86/51/738828651.db2.gz RAXYMIVJSNQJOX-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027930539 738828653 /nfs/dbraw/zinc/82/86/53/738828653.db2.gz RAXYMIVJSNQJOX-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027930539 738828654 /nfs/dbraw/zinc/82/86/54/738828654.db2.gz RAXYMIVJSNQJOX-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024613577 735983163 /nfs/dbraw/zinc/98/31/63/735983163.db2.gz AEVWKFWEQTXVSZ-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024613577 735983166 /nfs/dbraw/zinc/98/31/66/735983166.db2.gz AEVWKFWEQTXVSZ-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024613577 735983168 /nfs/dbraw/zinc/98/31/68/735983168.db2.gz AEVWKFWEQTXVSZ-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025781480 736852153 /nfs/dbraw/zinc/85/21/53/736852153.db2.gz FXEMNYBVVJRASC-ALYAQQCSSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025781480 736852155 /nfs/dbraw/zinc/85/21/55/736852155.db2.gz FXEMNYBVVJRASC-ALYAQQCSSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025781480 736852160 /nfs/dbraw/zinc/85/21/60/736852160.db2.gz FXEMNYBVVJRASC-ALYAQQCSSA-N 2 1 303.450 1.483 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001026549489 737654129 /nfs/dbraw/zinc/65/41/29/737654129.db2.gz SCZTUAKZOUXJKX-UYSNPLJNSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001026549489 737654133 /nfs/dbraw/zinc/65/41/33/737654133.db2.gz SCZTUAKZOUXJKX-UYSNPLJNSA-N 2 1 309.454 1.299 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CCC2CC2)C1 ZINC001027446638 738301691 /nfs/dbraw/zinc/30/16/91/738301691.db2.gz PUVABHDFDPJNKP-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027446638 738301694 /nfs/dbraw/zinc/30/16/94/738301694.db2.gz PUVABHDFDPJNKP-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CC2)C1 ZINC001027446638 738301697 /nfs/dbraw/zinc/30/16/97/738301697.db2.gz PUVABHDFDPJNKP-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC2CC2)C1 ZINC001027446638 738301699 /nfs/dbraw/zinc/30/16/99/738301699.db2.gz PUVABHDFDPJNKP-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645951 739845283 /nfs/dbraw/zinc/84/52/83/739845283.db2.gz PDHJDEALIUPNIR-CQSZACIVSA-N 2 1 320.437 1.754 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645951 739845287 /nfs/dbraw/zinc/84/52/87/739845287.db2.gz PDHJDEALIUPNIR-CQSZACIVSA-N 2 1 320.437 1.754 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800102 740057635 /nfs/dbraw/zinc/05/76/35/740057635.db2.gz OWRWWRVSSRCOCV-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800102 740057639 /nfs/dbraw/zinc/05/76/39/740057639.db2.gz OWRWWRVSSRCOCV-CVEARBPZSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028916460 740170926 /nfs/dbraw/zinc/17/09/26/740170926.db2.gz NCNITJLFTDPIMS-INIZCTEOSA-N 2 1 303.450 1.180 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934870 740186784 /nfs/dbraw/zinc/18/67/84/740186784.db2.gz QEOCWZNADGSHSX-CQSZACIVSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934870 740186787 /nfs/dbraw/zinc/18/67/87/740186787.db2.gz QEOCWZNADGSHSX-CQSZACIVSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161643995 740248996 /nfs/dbraw/zinc/24/89/96/740248996.db2.gz GMFORVBWSLCIQE-MRXNPFEDSA-N 2 1 311.470 1.405 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749339 740731453 /nfs/dbraw/zinc/73/14/53/740731453.db2.gz GRAJGANHAJAXRR-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749339 740731455 /nfs/dbraw/zinc/73/14/55/740731455.db2.gz GRAJGANHAJAXRR-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749339 740731457 /nfs/dbraw/zinc/73/14/57/740731457.db2.gz GRAJGANHAJAXRR-GVDBMIGSSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014270 740947245 /nfs/dbraw/zinc/94/72/45/740947245.db2.gz MVOMFPBQPWDXHT-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001088311818 741371641 /nfs/dbraw/zinc/37/16/41/741371641.db2.gz HOOREIMSKAFWRK-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nccn3C2)[C@H]1C ZINC001088677996 742069804 /nfs/dbraw/zinc/06/98/04/742069804.db2.gz BPFHMHMBDVEVDW-PMPSAXMXSA-N 2 1 316.449 1.991 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001040250981 742227120 /nfs/dbraw/zinc/22/71/20/742227120.db2.gz VLMNFCMSBBYFPY-PKOBYXMFSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001076605864 742818559 /nfs/dbraw/zinc/81/85/59/742818559.db2.gz XAXZAWMGSDVCGW-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CCN1CCC(NC(=O)Cc2cn3c(n2)CCCC3)CC1 ZINC001002873373 743540505 /nfs/dbraw/zinc/54/05/05/743540505.db2.gz BJYXLYBYBKHYCE-UHFFFAOYSA-N 2 1 314.433 1.366 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001105734559 743768653 /nfs/dbraw/zinc/76/86/53/743768653.db2.gz XPEURBIAQOVXOR-UHFFFAOYSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001105734559 743768654 /nfs/dbraw/zinc/76/86/54/743768654.db2.gz XPEURBIAQOVXOR-UHFFFAOYSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001183256086 743810763 /nfs/dbraw/zinc/81/07/63/743810763.db2.gz RDIFVDONYSJCCJ-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1C ZINC001184711889 744085547 /nfs/dbraw/zinc/08/55/47/744085547.db2.gz HSDXIOKQGYGKHF-JKSUJKDBSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137047 744166997 /nfs/dbraw/zinc/16/69/97/744166997.db2.gz QFKCMGIUYXQIEK-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137047 744166998 /nfs/dbraw/zinc/16/69/98/744166998.db2.gz QFKCMGIUYXQIEK-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992166073 744651484 /nfs/dbraw/zinc/65/14/84/744651484.db2.gz GGERFUSJMWIGEP-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992166073 744651485 /nfs/dbraw/zinc/65/14/85/744651485.db2.gz GGERFUSJMWIGEP-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992166073 744651487 /nfs/dbraw/zinc/65/14/87/744651487.db2.gz GGERFUSJMWIGEP-YJBOKZPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992486815 744912193 /nfs/dbraw/zinc/91/21/93/744912193.db2.gz LFOGVRALUGQFEG-DOTOQJQBSA-N 2 1 302.422 1.881 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992486815 744912196 /nfs/dbraw/zinc/91/21/96/744912196.db2.gz LFOGVRALUGQFEG-DOTOQJQBSA-N 2 1 302.422 1.881 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000992919491 745292137 /nfs/dbraw/zinc/29/21/37/745292137.db2.gz OIBFRSSOGPJECP-HRCADAONSA-N 2 1 300.406 1.041 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001191011241 745403862 /nfs/dbraw/zinc/40/38/62/745403862.db2.gz SFHPAEIZDRGQJX-GJZGRUSLSA-N 2 1 302.422 1.554 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001191561969 745550693 /nfs/dbraw/zinc/55/06/93/745550693.db2.gz WKQONXZBSSCVTC-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001192342433 745758853 /nfs/dbraw/zinc/75/88/53/745758853.db2.gz DYLSQMHNCPBXED-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342433 745758857 /nfs/dbraw/zinc/75/88/57/745758857.db2.gz DYLSQMHNCPBXED-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192342433 745758860 /nfs/dbraw/zinc/75/88/60/745758860.db2.gz DYLSQMHNCPBXED-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192426198 745780212 /nfs/dbraw/zinc/78/02/12/745780212.db2.gz OAVUAFHDVBWOHJ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001192654650 745847020 /nfs/dbraw/zinc/84/70/20/745847020.db2.gz HGBKDFCPUVRRFQ-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001192786974 745892600 /nfs/dbraw/zinc/89/26/00/745892600.db2.gz GABMYRVQNCNQEP-MRXNPFEDSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026764 746257430 /nfs/dbraw/zinc/25/74/30/746257430.db2.gz KNOKBVPSXLDFHI-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273924 746312929 /nfs/dbraw/zinc/31/29/29/746312929.db2.gz BUKIRBJIFQGXIG-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001194273924 746312935 /nfs/dbraw/zinc/31/29/35/746312935.db2.gz BUKIRBJIFQGXIG-ZWKOTPCHSA-N 2 1 313.445 1.845 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275289 746315223 /nfs/dbraw/zinc/31/52/23/746315223.db2.gz RAKFDPAWBNYTHI-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994273898 746560210 /nfs/dbraw/zinc/56/02/10/746560210.db2.gz ZWNGLQGTZLUTGE-GDBMZVCRSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994273898 746560213 /nfs/dbraw/zinc/56/02/13/746560213.db2.gz ZWNGLQGTZLUTGE-GDBMZVCRSA-N 2 1 314.433 1.754 20 30 DDEDMP C=CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046993444 746672505 /nfs/dbraw/zinc/67/25/05/746672505.db2.gz OAIVYLFUWBGZIJ-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993444 746672509 /nfs/dbraw/zinc/67/25/09/746672509.db2.gz OAIVYLFUWBGZIJ-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993444 746672510 /nfs/dbraw/zinc/67/25/10/746672510.db2.gz OAIVYLFUWBGZIJ-UONOGXRCSA-N 2 1 315.408 1.588 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001036092295 752152772 /nfs/dbraw/zinc/15/27/72/752152772.db2.gz COTSUNDGPYEVHC-UKRRQHHQSA-N 2 1 320.437 1.753 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001003627933 747335226 /nfs/dbraw/zinc/33/52/26/747335226.db2.gz JZKOJIHMNMKTHM-SFHVURJKSA-N 2 1 323.456 1.803 20 30 DDEDMP COCC#CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198242940 747425600 /nfs/dbraw/zinc/42/56/00/747425600.db2.gz AYHFETIHZPRRKI-UHFFFAOYSA-N 2 1 321.465 1.047 20 30 DDEDMP COCC#CC[N@H+]1CCCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001198242940 747425605 /nfs/dbraw/zinc/42/56/05/747425605.db2.gz AYHFETIHZPRRKI-UHFFFAOYSA-N 2 1 321.465 1.047 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200480322 748254822 /nfs/dbraw/zinc/25/48/22/748254822.db2.gz ZPZDYKLYNYFVMR-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200651669 748315221 /nfs/dbraw/zinc/31/52/21/748315221.db2.gz GNKIONMFXRFPBI-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)CCCO1 ZINC001201612235 748559617 /nfs/dbraw/zinc/55/96/17/748559617.db2.gz NPULJMMNAWNCHD-GOEBONIOSA-N 2 1 320.437 1.372 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001114425486 749193863 /nfs/dbraw/zinc/19/38/63/749193863.db2.gz DNARXZJNLNQFRK-CBZIJGRNSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114425486 749193865 /nfs/dbraw/zinc/19/38/65/749193865.db2.gz DNARXZJNLNQFRK-CBZIJGRNSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[C@H]1CCC[NH+]1C ZINC001114425486 749193868 /nfs/dbraw/zinc/19/38/68/749193868.db2.gz DNARXZJNLNQFRK-CBZIJGRNSA-N 2 1 321.465 1.110 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033471671 749380285 /nfs/dbraw/zinc/38/02/85/749380285.db2.gz NRFOBJZOEIJVBU-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001033471671 749380292 /nfs/dbraw/zinc/38/02/92/749380292.db2.gz NRFOBJZOEIJVBU-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033471671 749380299 /nfs/dbraw/zinc/38/02/99/749380299.db2.gz NRFOBJZOEIJVBU-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033471671 749380305 /nfs/dbraw/zinc/38/03/05/749380305.db2.gz NRFOBJZOEIJVBU-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107438413 749959367 /nfs/dbraw/zinc/95/93/67/749959367.db2.gz AGHALTFVYWXWRJ-JFIYKMOQSA-N 2 1 305.466 1.873 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001128774655 750063202 /nfs/dbraw/zinc/06/32/02/750063202.db2.gz VWVSOXZJSHMAEW-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033932804 750154118 /nfs/dbraw/zinc/15/41/18/750154118.db2.gz SOVLLIDEOORPJI-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932804 750154121 /nfs/dbraw/zinc/15/41/21/750154121.db2.gz SOVLLIDEOORPJI-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932804 750154126 /nfs/dbraw/zinc/15/41/26/750154126.db2.gz SOVLLIDEOORPJI-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932804 750154135 /nfs/dbraw/zinc/15/41/35/750154135.db2.gz SOVLLIDEOORPJI-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001108395940 762041694 /nfs/dbraw/zinc/04/16/94/762041694.db2.gz XLRKUODLGQFWJB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395940 762041699 /nfs/dbraw/zinc/04/16/99/762041699.db2.gz XLRKUODLGQFWJB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001108395940 762041704 /nfs/dbraw/zinc/04/17/04/762041704.db2.gz XLRKUODLGQFWJB-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000997140135 750554142 /nfs/dbraw/zinc/55/41/42/750554142.db2.gz URVQWPHWXAVBQA-ZBFHGGJFSA-N 2 1 314.433 1.610 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC001114499341 750661954 /nfs/dbraw/zinc/66/19/54/750661954.db2.gz PPHQRAQOZQVGBW-FOLVSLTJSA-N 2 1 318.421 1.362 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C[NH+](C)C)on1 ZINC001114499341 750661956 /nfs/dbraw/zinc/66/19/56/750661956.db2.gz PPHQRAQOZQVGBW-FOLVSLTJSA-N 2 1 318.421 1.362 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001032413993 750669344 /nfs/dbraw/zinc/66/93/44/750669344.db2.gz XIYUETQRJNYBBL-JYJNAYRXSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001032413993 750669347 /nfs/dbraw/zinc/66/93/47/750669347.db2.gz XIYUETQRJNYBBL-JYJNAYRXSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089905154 750701608 /nfs/dbraw/zinc/70/16/08/750701608.db2.gz HCBFRJLJYRHLTN-MLHJIOFPSA-N 2 1 315.461 1.274 20 30 DDEDMP C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001032445954 750849519 /nfs/dbraw/zinc/84/95/19/750849519.db2.gz SMLOEOFKONSRNZ-ULQDDVLXSA-N 2 1 303.450 1.865 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cn2ccnc2)C1 ZINC001089910715 750946137 /nfs/dbraw/zinc/94/61/37/750946137.db2.gz CLZUWWDQNPQUDG-VGWMRTNUSA-N 2 1 300.406 1.238 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001032493258 751051279 /nfs/dbraw/zinc/05/12/79/751051279.db2.gz QOQGTXANHSNSSK-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001032493258 751051286 /nfs/dbraw/zinc/05/12/86/751051286.db2.gz QOQGTXANHSNSSK-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032493258 751051292 /nfs/dbraw/zinc/05/12/92/751051292.db2.gz QOQGTXANHSNSSK-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001032493258 751051299 /nfs/dbraw/zinc/05/12/99/751051299.db2.gz QOQGTXANHSNSSK-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP N#Cc1c(N)sc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1Cl ZINC001205230728 751073101 /nfs/dbraw/zinc/07/31/01/751073101.db2.gz UMOPHKQJTNFLSO-CYBMUJFWSA-N 2 1 314.842 1.531 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114849693 751224689 /nfs/dbraw/zinc/22/46/89/751224689.db2.gz VWRZDGRJLNASIR-QLPKVWCKSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CC(C)(C)C ZINC001114849693 751224696 /nfs/dbraw/zinc/22/46/96/751224696.db2.gz VWRZDGRJLNASIR-QLPKVWCKSA-N 2 1 307.482 1.977 20 30 DDEDMP CCCCCC[N@@H+](C)CC(=O)NCCC[NH2+]CC#CCOC ZINC001168595550 751268182 /nfs/dbraw/zinc/26/81/82/751268182.db2.gz KMYSKXWFNSYYPK-UHFFFAOYSA-N 2 1 311.470 1.244 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC#C)CC2 ZINC001035194777 751294669 /nfs/dbraw/zinc/29/46/69/751294669.db2.gz CTQJBLMRZBLGTQ-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1CC#C)CC2 ZINC001035194777 751294672 /nfs/dbraw/zinc/29/46/72/751294672.db2.gz CTQJBLMRZBLGTQ-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC#C)C2)CC1 ZINC001035194777 751294675 /nfs/dbraw/zinc/29/46/75/751294675.db2.gz CTQJBLMRZBLGTQ-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC#C)C2)CC1 ZINC001035194777 751294677 /nfs/dbraw/zinc/29/46/77/751294677.db2.gz CTQJBLMRZBLGTQ-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000768069 762177219 /nfs/dbraw/zinc/17/72/19/762177219.db2.gz UANQCBYBBWXALQ-QGZVFWFLSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768069 762177223 /nfs/dbraw/zinc/17/72/23/762177223.db2.gz UANQCBYBBWXALQ-QGZVFWFLSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768069 762177226 /nfs/dbraw/zinc/17/72/26/762177226.db2.gz UANQCBYBBWXALQ-QGZVFWFLSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009145240 753087298 /nfs/dbraw/zinc/08/72/98/753087298.db2.gz MGDAZOSZWZVICJ-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009247273 753125406 /nfs/dbraw/zinc/12/54/06/753125406.db2.gz QDSSZNZFRWZHKV-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009247273 753125408 /nfs/dbraw/zinc/12/54/08/753125408.db2.gz QDSSZNZFRWZHKV-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001108165971 753176475 /nfs/dbraw/zinc/17/64/75/753176475.db2.gz PUVKBHLDXFOHPI-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCF)CC1 ZINC001001491181 754345390 /nfs/dbraw/zinc/34/53/90/754345390.db2.gz FUJYKWKTOFWULI-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCF)CC1 ZINC001001491181 754345392 /nfs/dbraw/zinc/34/53/92/754345392.db2.gz FUJYKWKTOFWULI-INIZCTEOSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001014432299 755733342 /nfs/dbraw/zinc/73/33/42/755733342.db2.gz IHFIZNJWEZYLHY-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001014432299 755733345 /nfs/dbraw/zinc/73/33/45/755733345.db2.gz IHFIZNJWEZYLHY-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001014432299 755733348 /nfs/dbraw/zinc/73/33/48/755733348.db2.gz IHFIZNJWEZYLHY-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001016337678 756935927 /nfs/dbraw/zinc/93/59/27/756935927.db2.gz TUDWJYYJDOTBLN-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040451197 762540631 /nfs/dbraw/zinc/54/06/31/762540631.db2.gz BWVIZVVPPGOTCA-SFHVURJKSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040451197 762540638 /nfs/dbraw/zinc/54/06/38/762540638.db2.gz BWVIZVVPPGOTCA-SFHVURJKSA-N 2 1 321.465 1.209 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405730 757562543 /nfs/dbraw/zinc/56/25/43/757562543.db2.gz ZYJPXYUUAQTHRQ-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405730 757562546 /nfs/dbraw/zinc/56/25/46/757562546.db2.gz ZYJPXYUUAQTHRQ-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405730 757562548 /nfs/dbraw/zinc/56/25/48/757562548.db2.gz ZYJPXYUUAQTHRQ-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663225 757751400 /nfs/dbraw/zinc/75/14/00/757751400.db2.gz RYQAWWQEXRSXSV-RKVPGOIHSA-N 2 1 323.456 1.918 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663225 757751403 /nfs/dbraw/zinc/75/14/03/757751403.db2.gz RYQAWWQEXRSXSV-RKVPGOIHSA-N 2 1 323.456 1.918 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663225 757751412 /nfs/dbraw/zinc/75/14/12/757751412.db2.gz RYQAWWQEXRSXSV-RKVPGOIHSA-N 2 1 323.456 1.918 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001084663225 757751416 /nfs/dbraw/zinc/75/14/16/757751416.db2.gz RYQAWWQEXRSXSV-RKVPGOIHSA-N 2 1 323.456 1.918 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017618693 758086842 /nfs/dbraw/zinc/08/68/42/758086842.db2.gz URDLXSIQYAYWCA-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[NH+]1C(C)C ZINC001017618693 758086847 /nfs/dbraw/zinc/08/68/47/758086847.db2.gz URDLXSIQYAYWCA-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001017618693 758086851 /nfs/dbraw/zinc/08/68/51/758086851.db2.gz URDLXSIQYAYWCA-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[N@H+]1C(C)C ZINC001017618693 758086856 /nfs/dbraw/zinc/08/68/56/758086856.db2.gz URDLXSIQYAYWCA-OKZBNKHCSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054145016 759221654 /nfs/dbraw/zinc/22/16/54/759221654.db2.gz HRVJHPFRPHBOHT-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145016 759221660 /nfs/dbraw/zinc/22/16/60/759221660.db2.gz HRVJHPFRPHBOHT-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054145016 759221666 /nfs/dbraw/zinc/22/16/66/759221666.db2.gz HRVJHPFRPHBOHT-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP N#C[C@@H](Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1)C(N)=O ZINC001170538071 767880315 /nfs/dbraw/zinc/88/03/15/767880315.db2.gz YLYMHWCQISYUPG-GXTWGEPZSA-N 2 1 312.377 1.140 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001108213387 760385754 /nfs/dbraw/zinc/38/57/54/760385754.db2.gz NXZJCSQBCXPUNU-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213387 760385764 /nfs/dbraw/zinc/38/57/64/760385764.db2.gz NXZJCSQBCXPUNU-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213387 760385776 /nfs/dbraw/zinc/38/57/76/760385776.db2.gz NXZJCSQBCXPUNU-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213387 760385790 /nfs/dbraw/zinc/38/57/90/760385790.db2.gz NXZJCSQBCXPUNU-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CC3)C2)CC1 ZINC001046850537 767983793 /nfs/dbraw/zinc/98/37/93/767983793.db2.gz WADFGGOIXPJBIV-GOSISDBHSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086456285 761642364 /nfs/dbraw/zinc/64/23/64/761642364.db2.gz ZCAFWYUBWSBLMX-BQFCYCMXSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086460258 761649327 /nfs/dbraw/zinc/64/93/27/761649327.db2.gz OLLMWKOOFOXCHV-JYJNAYRXSA-N 2 1 316.449 1.814 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001000465694 761769468 /nfs/dbraw/zinc/76/94/68/761769468.db2.gz NPLQMIMMOIUIDA-CQSZACIVSA-N 2 1 315.845 1.042 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC001039163925 761790483 /nfs/dbraw/zinc/79/04/83/761790483.db2.gz GAJRRDNKPQYVIR-WMZOPIPTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163925 761790486 /nfs/dbraw/zinc/79/04/86/761790486.db2.gz GAJRRDNKPQYVIR-WMZOPIPTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001039163925 761790490 /nfs/dbraw/zinc/79/04/90/761790490.db2.gz GAJRRDNKPQYVIR-WMZOPIPTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173968 761798275 /nfs/dbraw/zinc/79/82/75/761798275.db2.gz JUFHRQFJIIFQRK-AEFFLSMTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173968 761798283 /nfs/dbraw/zinc/79/82/83/761798283.db2.gz JUFHRQFJIIFQRK-AEFFLSMTSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173968 761798288 /nfs/dbraw/zinc/79/82/88/761798288.db2.gz JUFHRQFJIIFQRK-AEFFLSMTSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001001375858 762803426 /nfs/dbraw/zinc/80/34/26/762803426.db2.gz JWSKFNSMCOUHPW-UHFFFAOYSA-N 2 1 303.450 1.797 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001108704165 762859359 /nfs/dbraw/zinc/85/93/59/762859359.db2.gz CXGPJDLQLXBRHR-ZOBUZTSGSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359957 762979072 /nfs/dbraw/zinc/97/90/72/762979072.db2.gz WIWXVQCIIVARHZ-QAPCUYQASA-N 2 1 312.417 1.318 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359957 762979078 /nfs/dbraw/zinc/97/90/78/762979078.db2.gz WIWXVQCIIVARHZ-QAPCUYQASA-N 2 1 312.417 1.318 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138838 763199665 /nfs/dbraw/zinc/19/96/65/763199665.db2.gz VSQXOOOUMAHXCF-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138838 763199670 /nfs/dbraw/zinc/19/96/70/763199670.db2.gz VSQXOOOUMAHXCF-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001050138838 763199673 /nfs/dbraw/zinc/19/96/73/763199673.db2.gz VSQXOOOUMAHXCF-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094930 763642772 /nfs/dbraw/zinc/64/27/72/763642772.db2.gz ZUOAPNHDKKNXDU-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001042129726 763685768 /nfs/dbraw/zinc/68/57/68/763685768.db2.gz AXHRSOKODJDCFP-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046993931 768177508 /nfs/dbraw/zinc/17/75/08/768177508.db2.gz ZUFRVNPZIPCZTI-STQMWFEESA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993931 768177511 /nfs/dbraw/zinc/17/75/11/768177511.db2.gz ZUFRVNPZIPCZTI-STQMWFEESA-N 2 1 301.381 1.198 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046993931 768177513 /nfs/dbraw/zinc/17/75/13/768177513.db2.gz ZUFRVNPZIPCZTI-STQMWFEESA-N 2 1 301.381 1.198 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001042374765 763978976 /nfs/dbraw/zinc/97/89/76/763978976.db2.gz MLWNXHVHUKAQCY-KGLIPLIRSA-N 2 1 308.813 1.558 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3ccnc3)C[C@@H]21 ZINC001042374765 763978981 /nfs/dbraw/zinc/97/89/81/763978981.db2.gz MLWNXHVHUKAQCY-KGLIPLIRSA-N 2 1 308.813 1.558 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001050766536 764024265 /nfs/dbraw/zinc/02/42/65/764024265.db2.gz QLAQUAJOWSBITD-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001109825062 764094887 /nfs/dbraw/zinc/09/48/87/764094887.db2.gz UTSODWONVRRDNL-OJLVUWQFSA-N 2 1 302.422 1.886 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001109825062 764094892 /nfs/dbraw/zinc/09/48/92/764094892.db2.gz UTSODWONVRRDNL-OJLVUWQFSA-N 2 1 302.422 1.886 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109866962 764149648 /nfs/dbraw/zinc/14/96/48/764149648.db2.gz QVWMKDDCRJCIJD-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546033 764390641 /nfs/dbraw/zinc/39/06/41/764390641.db2.gz PSYFQYKMVHAEFR-WMZOPIPTSA-N 2 1 321.465 1.113 20 30 DDEDMP C=CC[NH+]1CCc2c(CNC(=O)[C@@H]3CC[N@H+](C)C3)cccc2C1 ZINC001051307120 764728227 /nfs/dbraw/zinc/72/82/27/764728227.db2.gz LRMGCTPRIGIUCW-QGZVFWFLSA-N 2 1 313.445 1.799 20 30 DDEDMP C=CC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307120 764728234 /nfs/dbraw/zinc/72/82/34/764728234.db2.gz LRMGCTPRIGIUCW-QGZVFWFLSA-N 2 1 313.445 1.799 20 30 DDEDMP C=CC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC[NH+](C)C3)cccc2C1 ZINC001051307120 764728240 /nfs/dbraw/zinc/72/82/40/764728240.db2.gz LRMGCTPRIGIUCW-QGZVFWFLSA-N 2 1 313.445 1.799 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131683554 768260640 /nfs/dbraw/zinc/26/06/40/768260640.db2.gz ZGWMCIUIEBKJML-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704680 768272401 /nfs/dbraw/zinc/27/24/01/768272401.db2.gz YIQPQXOTNRYLHT-SJLPKXTDSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704680 768272405 /nfs/dbraw/zinc/27/24/05/768272405.db2.gz YIQPQXOTNRYLHT-SJLPKXTDSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704680 768272409 /nfs/dbraw/zinc/27/24/09/768272409.db2.gz YIQPQXOTNRYLHT-SJLPKXTDSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052590420 765977600 /nfs/dbraw/zinc/97/76/00/765977600.db2.gz AMVQJCMSJGIESH-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653647 766040500 /nfs/dbraw/zinc/04/05/00/766040500.db2.gz OLQAJAWDKKICBM-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653647 766040507 /nfs/dbraw/zinc/04/05/07/766040507.db2.gz OLQAJAWDKKICBM-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653647 766040511 /nfs/dbraw/zinc/04/05/11/766040511.db2.gz OLQAJAWDKKICBM-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653647 766040517 /nfs/dbraw/zinc/04/05/17/766040517.db2.gz OLQAJAWDKKICBM-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533466 766383152 /nfs/dbraw/zinc/38/31/52/766383152.db2.gz LLFDTQVQXRKPBP-HNNXBMFYSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533466 766383160 /nfs/dbraw/zinc/38/31/60/766383160.db2.gz LLFDTQVQXRKPBP-HNNXBMFYSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533655 766384521 /nfs/dbraw/zinc/38/45/21/766384521.db2.gz RKUXVDNLBQOFFS-INIZCTEOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533655 766384531 /nfs/dbraw/zinc/38/45/31/766384531.db2.gz RKUXVDNLBQOFFS-INIZCTEOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045664274 766489029 /nfs/dbraw/zinc/48/90/29/766489029.db2.gz YONKLSOXQFZYGH-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001045922003 766702295 /nfs/dbraw/zinc/70/22/95/766702295.db2.gz WRAJKUROVZSCDI-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001045922003 766702298 /nfs/dbraw/zinc/70/22/98/766702298.db2.gz WRAJKUROVZSCDI-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001045922003 766702299 /nfs/dbraw/zinc/70/22/99/766702299.db2.gz WRAJKUROVZSCDI-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)C1CC1 ZINC001129435159 766892208 /nfs/dbraw/zinc/89/22/08/766892208.db2.gz CIHHRLQTLBCOBA-MRXNPFEDSA-N 2 1 318.396 1.243 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC[NH+](C)C)C1 ZINC001130415479 767509126 /nfs/dbraw/zinc/50/91/26/767509126.db2.gz IHOGALSLQOBQSK-CQSZACIVSA-N 2 1 319.453 1.343 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001130419037 767521761 /nfs/dbraw/zinc/52/17/61/767521761.db2.gz IWLMIWBZMFLWCG-UHFFFAOYSA-N 2 1 319.424 1.613 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@@H]1C ZINC001132888334 769289885 /nfs/dbraw/zinc/28/98/85/769289885.db2.gz MHKJAXYOPXZUQW-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071508054 769529166 /nfs/dbraw/zinc/52/91/66/769529166.db2.gz HIIAXMBFIAGMSD-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC[C@@H]1C ZINC001071508054 769529174 /nfs/dbraw/zinc/52/91/74/769529174.db2.gz HIIAXMBFIAGMSD-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001133165386 769555785 /nfs/dbraw/zinc/55/57/85/769555785.db2.gz GCJMXXMELMYPIV-WBVHZDCISA-N 2 1 316.449 1.679 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC#CCOC)C1 ZINC001133275136 769661437 /nfs/dbraw/zinc/66/14/37/769661437.db2.gz PWNDFPOPRJFGDM-DLBZAZTESA-N 2 1 323.481 1.052 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048861906 770005140 /nfs/dbraw/zinc/00/51/40/770005140.db2.gz OPIZFRKRJUOABI-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861906 770005153 /nfs/dbraw/zinc/00/51/53/770005153.db2.gz OPIZFRKRJUOABI-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048861906 770005166 /nfs/dbraw/zinc/00/51/66/770005166.db2.gz OPIZFRKRJUOABI-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071768783 770033673 /nfs/dbraw/zinc/03/36/73/770033673.db2.gz CRFPTYBBVHYSTQ-GDBMZVCRSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2occc2C[NH+](C)C)CC[C@H]1C ZINC001071768783 770033686 /nfs/dbraw/zinc/03/36/86/770033686.db2.gz CRFPTYBBVHYSTQ-GDBMZVCRSA-N 2 1 317.433 1.947 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058007 770305074 /nfs/dbraw/zinc/30/50/74/770305074.db2.gz UTQKVVLAAXJQKB-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058007 770305086 /nfs/dbraw/zinc/30/50/86/770305086.db2.gz UTQKVVLAAXJQKB-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@H]2C1 ZINC001049058007 770305096 /nfs/dbraw/zinc/30/50/96/770305096.db2.gz UTQKVVLAAXJQKB-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[NH2+]CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001133890818 770417064 /nfs/dbraw/zinc/41/70/64/770417064.db2.gz ZUKAKMGMQJRUNY-UHFFFAOYSA-N 2 1 306.410 1.556 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049465615 770886316 /nfs/dbraw/zinc/88/63/16/770886316.db2.gz SSBSBZYULMORHS-BRWVUGGUSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049465615 770886325 /nfs/dbraw/zinc/88/63/25/770886325.db2.gz SSBSBZYULMORHS-BRWVUGGUSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049465615 770886335 /nfs/dbraw/zinc/88/63/35/770886335.db2.gz SSBSBZYULMORHS-BRWVUGGUSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001049478929 770907299 /nfs/dbraw/zinc/90/72/99/770907299.db2.gz VNZKHPOODYCRAE-IAGOWNOFSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049627981 771031705 /nfs/dbraw/zinc/03/17/05/771031705.db2.gz DDEAZHTZSILUGJ-IAGOWNOFSA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CN(CC)CCO1)C2 ZINC001096584014 771229236 /nfs/dbraw/zinc/22/92/36/771229236.db2.gz RGJTYKQYVHRPGE-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001096584014 771229239 /nfs/dbraw/zinc/22/92/39/771229239.db2.gz RGJTYKQYVHRPGE-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001096584014 771229243 /nfs/dbraw/zinc/22/92/43/771229243.db2.gz RGJTYKQYVHRPGE-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096584014 771229247 /nfs/dbraw/zinc/22/92/47/771229247.db2.gz RGJTYKQYVHRPGE-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001096584014 771229250 /nfs/dbraw/zinc/22/92/50/771229250.db2.gz RGJTYKQYVHRPGE-QZWWFDLISA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)C)CC1 ZINC001096605618 771284906 /nfs/dbraw/zinc/28/49/06/771284906.db2.gz XHDOVQQIRQFXPV-SQNIBIBYSA-N 2 1 315.461 1.629 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135689948 771655929 /nfs/dbraw/zinc/65/59/29/771655929.db2.gz CTOCGIBYXYIWHL-IAGOWNOFSA-N 2 1 323.481 1.385 20 30 DDEDMP C[NH+](C)CCCCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001148359796 773455969 /nfs/dbraw/zinc/45/59/69/773455969.db2.gz DSGCYBNSILCBHU-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013193 773920649 /nfs/dbraw/zinc/92/06/49/773920649.db2.gz LMYODGBVNUYTBH-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013193 773920652 /nfs/dbraw/zinc/92/06/52/773920652.db2.gz LMYODGBVNUYTBH-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@]2(C)C1 ZINC001092013193 773920655 /nfs/dbraw/zinc/92/06/55/773920655.db2.gz LMYODGBVNUYTBH-NUJGCVRESA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092611490 774178966 /nfs/dbraw/zinc/17/89/66/774178966.db2.gz YFEINCZIAKLINM-DJIMGWMZSA-N 2 1 303.450 1.036 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753075 774251061 /nfs/dbraw/zinc/25/10/61/774251061.db2.gz ACTILCGVKBAXDC-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001092753075 774251062 /nfs/dbraw/zinc/25/10/62/774251062.db2.gz ACTILCGVKBAXDC-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736485 774430060 /nfs/dbraw/zinc/43/00/60/774430060.db2.gz AHRCRZRFYQEKRR-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036736485 774430061 /nfs/dbraw/zinc/43/00/61/774430061.db2.gz AHRCRZRFYQEKRR-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036736485 774430062 /nfs/dbraw/zinc/43/00/62/774430062.db2.gz AHRCRZRFYQEKRR-RDJZCZTQSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]21 ZINC001036760913 774510682 /nfs/dbraw/zinc/51/06/82/774510682.db2.gz KWBILAZINZBBRF-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036794570 774642613 /nfs/dbraw/zinc/64/26/13/774642613.db2.gz XRCJQADRJBVXNR-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C2 ZINC001111463138 774738229 /nfs/dbraw/zinc/73/82/29/774738229.db2.gz AFAPQBDRBKMXJP-ZJPYXAASSA-N 2 1 311.429 1.644 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](c1ccccc1)N(C)C)C2 ZINC001111463138 774738233 /nfs/dbraw/zinc/73/82/33/774738233.db2.gz AFAPQBDRBKMXJP-ZJPYXAASSA-N 2 1 311.429 1.644 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001099026933 774779295 /nfs/dbraw/zinc/77/92/95/774779295.db2.gz IHVAJBYXBZODRS-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099026933 774779298 /nfs/dbraw/zinc/77/92/98/774779298.db2.gz IHVAJBYXBZODRS-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001099026933 774779303 /nfs/dbraw/zinc/77/93/03/774779303.db2.gz IHVAJBYXBZODRS-BQFCYCMXSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467199 774866903 /nfs/dbraw/zinc/86/69/03/774866903.db2.gz AKDOKDHBEAYVGH-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467199 774866912 /nfs/dbraw/zinc/86/69/12/774866912.db2.gz AKDOKDHBEAYVGH-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001099225022 774908496 /nfs/dbraw/zinc/90/84/96/774908496.db2.gz MGSOPGIBBCUCST-HZPDHXFCSA-N 2 1 307.482 1.813 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@H]21 ZINC001036871363 775009303 /nfs/dbraw/zinc/00/93/03/775009303.db2.gz KSGCXMXQGFEVKY-GDBMZVCRSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519219 775014631 /nfs/dbraw/zinc/01/46/31/775014631.db2.gz GNOIOXKEOUVNIM-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527329 775017685 /nfs/dbraw/zinc/01/76/85/775017685.db2.gz DMXMQFHRAVIXRF-HZMVEIRTSA-N 2 1 303.450 1.130 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896114 776008697 /nfs/dbraw/zinc/00/86/97/776008697.db2.gz JXWIMVSHCOZYJQ-LSDHHAIUSA-N 2 1 322.840 1.867 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896114 776008709 /nfs/dbraw/zinc/00/87/09/776008709.db2.gz JXWIMVSHCOZYJQ-LSDHHAIUSA-N 2 1 322.840 1.867 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001100614629 776367407 /nfs/dbraw/zinc/36/74/07/776367407.db2.gz BCEISPJMCIQFBG-PCKAHOCUSA-N 2 1 316.449 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044705 777828100 /nfs/dbraw/zinc/82/81/00/777828100.db2.gz AZVFJUUSSZLVPV-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102044705 777828111 /nfs/dbraw/zinc/82/81/11/777828111.db2.gz AZVFJUUSSZLVPV-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001102044705 777828120 /nfs/dbraw/zinc/82/81/20/777828120.db2.gz AZVFJUUSSZLVPV-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547437 778036534 /nfs/dbraw/zinc/03/65/34/778036534.db2.gz SNFHCIPCXNJZFM-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547437 778036544 /nfs/dbraw/zinc/03/65/44/778036544.db2.gz SNFHCIPCXNJZFM-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547437 778036552 /nfs/dbraw/zinc/03/65/52/778036552.db2.gz SNFHCIPCXNJZFM-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580676 778222606 /nfs/dbraw/zinc/22/26/06/778222606.db2.gz GWMQDXCQVNXHTB-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177089916 778442319 /nfs/dbraw/zinc/44/23/19/778442319.db2.gz WQPIUOCIAHNHFO-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177089916 778442322 /nfs/dbraw/zinc/44/23/22/778442322.db2.gz WQPIUOCIAHNHFO-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177089917 778442447 /nfs/dbraw/zinc/44/24/47/778442447.db2.gz WQPIUOCIAHNHFO-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@@H]21 ZINC001177089917 778442450 /nfs/dbraw/zinc/44/24/50/778442450.db2.gz WQPIUOCIAHNHFO-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001177133299 778456418 /nfs/dbraw/zinc/45/64/18/778456418.db2.gz ZRHIDTITJOZPOP-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001177133299 778456420 /nfs/dbraw/zinc/45/64/20/778456420.db2.gz ZRHIDTITJOZPOP-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001177344396 778548204 /nfs/dbraw/zinc/54/82/04/778548204.db2.gz GBAVBIJODBZOLS-UHFFFAOYSA-N 2 1 319.449 1.417 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001177344396 778548210 /nfs/dbraw/zinc/54/82/10/778548210.db2.gz GBAVBIJODBZOLS-UHFFFAOYSA-N 2 1 319.449 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103099662 778638933 /nfs/dbraw/zinc/63/89/33/778638933.db2.gz RPYLUISMJQIYPX-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103099662 778638937 /nfs/dbraw/zinc/63/89/37/778638937.db2.gz RPYLUISMJQIYPX-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC001103099662 778638941 /nfs/dbraw/zinc/63/89/41/778638941.db2.gz RPYLUISMJQIYPX-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](C(C)C)C[C@H]1C ZINC001103099662 778638943 /nfs/dbraw/zinc/63/89/43/778638943.db2.gz RPYLUISMJQIYPX-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001179538406 779412390 /nfs/dbraw/zinc/41/23/90/779412390.db2.gz CMKFTFDLOHYOBS-QRTARXTBSA-N 2 1 314.433 1.356 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539084 779412673 /nfs/dbraw/zinc/41/26/73/779412673.db2.gz ODTLDSPFICCGST-MPGHIAIKSA-N 2 1 323.456 1.801 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979689 779800008 /nfs/dbraw/zinc/80/00/08/779800008.db2.gz BRUZNYVDCFTKIQ-LISAXSMJSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114979689 779800013 /nfs/dbraw/zinc/80/00/13/779800013.db2.gz BRUZNYVDCFTKIQ-LISAXSMJSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCC=C)CC1 ZINC001267283634 837738554 /nfs/dbraw/zinc/73/85/54/837738554.db2.gz YWYPHJBJGXETFI-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267298481 837779299 /nfs/dbraw/zinc/77/92/99/837779299.db2.gz OAIGSZLKJRKWDQ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266464130 836297005 /nfs/dbraw/zinc/29/70/05/836297005.db2.gz UGZBWHVQJXSQCH-INIZCTEOSA-N 2 1 302.422 1.385 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266464130 836297015 /nfs/dbraw/zinc/29/70/15/836297015.db2.gz UGZBWHVQJXSQCH-INIZCTEOSA-N 2 1 302.422 1.385 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001266469545 836309302 /nfs/dbraw/zinc/30/93/02/836309302.db2.gz NTGRXPCOTXADEY-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266868714 836970464 /nfs/dbraw/zinc/97/04/64/836970464.db2.gz ZQKNOQYUQXBPLB-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267061283 837272101 /nfs/dbraw/zinc/27/21/01/837272101.db2.gz NGOKEMSHOMASBS-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267559098 838305777 /nfs/dbraw/zinc/30/57/77/838305777.db2.gz NIXFXDKHGQWJSC-RDJZCZTQSA-N 2 1 303.450 1.180 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267595482 838392168 /nfs/dbraw/zinc/39/21/68/838392168.db2.gz RGUHILHCEPFKBM-SJORKVTESA-N 2 1 323.481 1.051 20 30 DDEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001267603692 838418878 /nfs/dbraw/zinc/41/88/78/838418878.db2.gz XLZKKKMPPLHVPP-UHFFFAOYSA-N 2 1 323.481 1.148 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267613960 838469003 /nfs/dbraw/zinc/46/90/03/838469003.db2.gz ZCCWBGDWZZQDTP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267613960 838469006 /nfs/dbraw/zinc/46/90/06/838469006.db2.gz ZCCWBGDWZZQDTP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267613960 838469011 /nfs/dbraw/zinc/46/90/11/838469011.db2.gz ZCCWBGDWZZQDTP-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267646199 838567935 /nfs/dbraw/zinc/56/79/35/838567935.db2.gz MYXZDZYEMNBYSC-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267646199 838567936 /nfs/dbraw/zinc/56/79/36/838567936.db2.gz MYXZDZYEMNBYSC-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267646199 838567941 /nfs/dbraw/zinc/56/79/41/838567941.db2.gz MYXZDZYEMNBYSC-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267646201 838568109 /nfs/dbraw/zinc/56/81/09/838568109.db2.gz MYXZDZYEMNBYSC-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267646201 838568112 /nfs/dbraw/zinc/56/81/12/838568112.db2.gz MYXZDZYEMNBYSC-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267646201 838568116 /nfs/dbraw/zinc/56/81/16/838568116.db2.gz MYXZDZYEMNBYSC-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001267716509 838715863 /nfs/dbraw/zinc/71/58/63/838715863.db2.gz LYPFXDUNEASVOU-IRXDYDNUSA-N 2 1 303.450 1.561 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001272042080 844415034 /nfs/dbraw/zinc/41/50/34/844415034.db2.gz ADKXDKQIKXSDLI-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272042080 844415041 /nfs/dbraw/zinc/41/50/41/844415041.db2.gz ADKXDKQIKXSDLI-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001268195790 839825445 /nfs/dbraw/zinc/82/54/45/839825445.db2.gz ZCCWBGDWZZQDTP-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001268195790 839825456 /nfs/dbraw/zinc/82/54/56/839825456.db2.gz ZCCWBGDWZZQDTP-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001268195790 839825467 /nfs/dbraw/zinc/82/54/67/839825467.db2.gz ZCCWBGDWZZQDTP-YESZJQIVSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001268280600 839938888 /nfs/dbraw/zinc/93/88/88/839938888.db2.gz MZUFMOQFHBFRNQ-DZGCQCFKSA-N 2 1 318.421 1.248 20 30 DDEDMP C=C(C)C[NH2+][C@H](CC)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001269471990 841672052 /nfs/dbraw/zinc/67/20/52/841672052.db2.gz RNQOSFPGIINTPS-CQSZACIVSA-N 2 1 320.437 1.945 20 30 DDEDMP C#CC[NH2+]C[C@@]1(NC(=O)Cn2c[nH+]cc2C)CCCC[C@H]1C ZINC001269672601 841921793 /nfs/dbraw/zinc/92/17/93/841921793.db2.gz XIFSTFHUEZQHKF-PBHICJAKSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001269761344 842018742 /nfs/dbraw/zinc/01/87/42/842018742.db2.gz ZAKMPBQFEAJGOM-ROUUACIJSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[NH+]1CCC(c2nc([C@H]3C[NH+]4CCC3CC4)no2)CC1 ZINC001326486037 861403034 /nfs/dbraw/zinc/40/30/34/861403034.db2.gz YJEFJZLEQRXOFZ-HNNXBMFYSA-N 2 1 300.406 1.691 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001271254370 843448151 /nfs/dbraw/zinc/44/81/51/843448151.db2.gz MXDCMHDNMKCITG-HZPDHXFCSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001271254370 843448156 /nfs/dbraw/zinc/44/81/56/843448156.db2.gz MXDCMHDNMKCITG-HZPDHXFCSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000996925756 846868726 /nfs/dbraw/zinc/86/87/26/846868726.db2.gz DJQQXMAUKGEAMY-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000996925756 846868730 /nfs/dbraw/zinc/86/87/30/846868730.db2.gz DJQQXMAUKGEAMY-MRXNPFEDSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)CCc2ncc[nH]2)C1 ZINC001149632178 861766108 /nfs/dbraw/zinc/76/61/08/861766108.db2.gz PLGCPQLLXJYKDN-CQSZACIVSA-N 2 1 306.410 1.126 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001272826553 847511525 /nfs/dbraw/zinc/51/15/25/847511525.db2.gz ULYJYUKTRQDDNV-MRXNPFEDSA-N 2 1 321.465 1.065 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001272893506 847601057 /nfs/dbraw/zinc/60/10/57/847601057.db2.gz LHXPKDDOMAPHAD-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001272893506 847601062 /nfs/dbraw/zinc/60/10/62/847601062.db2.gz LHXPKDDOMAPHAD-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)C1 ZINC001272976753 847730383 /nfs/dbraw/zinc/73/03/83/847730383.db2.gz HOVVNTDYIGDTIV-IRXDYDNUSA-N 2 1 323.481 1.243 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@H+](CCC3CC[NH+](C)CC3)C2)C1=O ZINC001273039691 847825976 /nfs/dbraw/zinc/82/59/76/847825976.db2.gz SKSPWGNPXVFGNC-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034210762 848118061 /nfs/dbraw/zinc/11/80/61/848118061.db2.gz JKODQGDJAPDZOJ-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034248455 848155324 /nfs/dbraw/zinc/15/53/24/848155324.db2.gz CRTYPGPITIJTDH-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034248455 848155325 /nfs/dbraw/zinc/15/53/25/848155325.db2.gz CRTYPGPITIJTDH-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001034238793 848165536 /nfs/dbraw/zinc/16/55/36/848165536.db2.gz FGNNBFSOQPMHNM-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034238793 848165542 /nfs/dbraw/zinc/16/55/42/848165542.db2.gz FGNNBFSOQPMHNM-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001034238793 848165547 /nfs/dbraw/zinc/16/55/47/848165547.db2.gz FGNNBFSOQPMHNM-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309587 848303019 /nfs/dbraw/zinc/30/30/19/848303019.db2.gz MWUVVXMUNJOKDG-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001280505414 848701365 /nfs/dbraw/zinc/70/13/65/848701365.db2.gz OZTINILANXHLJD-HNNXBMFYSA-N 2 1 316.449 1.959 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001155314113 861952510 /nfs/dbraw/zinc/95/25/10/861952510.db2.gz PZPOWLKLDXXACS-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150371964 862198920 /nfs/dbraw/zinc/19/89/20/862198920.db2.gz NNGXDJVWGLHMEU-ZBFHGGJFSA-N 2 1 320.437 1.514 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150371964 862198928 /nfs/dbraw/zinc/19/89/28/862198928.db2.gz NNGXDJVWGLHMEU-ZBFHGGJFSA-N 2 1 320.437 1.514 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150393862 862215487 /nfs/dbraw/zinc/21/54/87/862215487.db2.gz DZYAOZWOOMNMIZ-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001150393862 862215510 /nfs/dbraw/zinc/21/55/10/862215510.db2.gz DZYAOZWOOMNMIZ-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CN1CCC2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273826757 851391687 /nfs/dbraw/zinc/39/16/87/851391687.db2.gz GQCQPVDZIGLQAK-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cncc(C#N)c1)C2 ZINC001275028050 852754068 /nfs/dbraw/zinc/75/40/68/852754068.db2.gz WDSYHSSMQZQCMO-UHFFFAOYSA-N 2 1 313.449 1.413 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cncc(C#N)c1)C2 ZINC001275028050 852754073 /nfs/dbraw/zinc/75/40/73/852754073.db2.gz WDSYHSSMQZQCMO-UHFFFAOYSA-N 2 1 313.449 1.413 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001155744310 862425641 /nfs/dbraw/zinc/42/56/41/862425641.db2.gz RRWITMMENDIUNC-OAHLLOKOSA-N 2 1 321.469 1.461 20 30 DDEDMP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001275520931 853274710 /nfs/dbraw/zinc/27/47/10/853274710.db2.gz LDJGVLCFEHKBKB-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CCC[NH+]1C ZINC001275520931 853274717 /nfs/dbraw/zinc/27/47/17/853274717.db2.gz LDJGVLCFEHKBKB-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275520931 853274724 /nfs/dbraw/zinc/27/47/24/853274724.db2.gz LDJGVLCFEHKBKB-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001275520931 853274729 /nfs/dbraw/zinc/27/47/29/853274729.db2.gz LDJGVLCFEHKBKB-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001155791337 862454989 /nfs/dbraw/zinc/45/49/89/862454989.db2.gz WFNKOZYCTGBYDC-AWEZNQCLSA-N 2 1 306.435 1.310 20 30 DDEDMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001275629096 853455497 /nfs/dbraw/zinc/45/54/97/853455497.db2.gz JSLPSEZJGGZREA-KRWDZBQOSA-N 2 1 315.461 1.816 20 30 DDEDMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CCC[NH+](C)C ZINC001275629096 853455503 /nfs/dbraw/zinc/45/55/03/853455503.db2.gz JSLPSEZJGGZREA-KRWDZBQOSA-N 2 1 315.461 1.816 20 30 DDEDMP C#CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001275974770 854051657 /nfs/dbraw/zinc/05/16/57/854051657.db2.gz AIKFXQDDCQYTOW-OKZBNKHCSA-N 2 1 315.461 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001328097734 862692856 /nfs/dbraw/zinc/69/28/56/862692856.db2.gz IMDDIJREJXSYKO-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072981509 857964034 /nfs/dbraw/zinc/96/40/34/857964034.db2.gz JPOCWVSHHFYIQY-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981509 857964047 /nfs/dbraw/zinc/96/40/47/857964047.db2.gz JPOCWVSHHFYIQY-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981509 857964053 /nfs/dbraw/zinc/96/40/53/857964053.db2.gz JPOCWVSHHFYIQY-HOTGVXAUSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)C1 ZINC001072983054 857966885 /nfs/dbraw/zinc/96/68/85/857966885.db2.gz KBXCPGUYHRPZKK-JSGCOSHPSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072983054 857966887 /nfs/dbraw/zinc/96/68/87/857966887.db2.gz KBXCPGUYHRPZKK-JSGCOSHPSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072983054 857966889 /nfs/dbraw/zinc/96/68/89/857966889.db2.gz KBXCPGUYHRPZKK-JSGCOSHPSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072983054 857966891 /nfs/dbraw/zinc/96/68/91/857966891.db2.gz KBXCPGUYHRPZKK-JSGCOSHPSA-N 2 1 311.857 1.471 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)C1 ZINC001073059781 858055069 /nfs/dbraw/zinc/05/50/69/858055069.db2.gz UMZJTLMNVOSJJI-UHFFFAOYSA-N 2 1 311.429 1.529 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001122219879 858718048 /nfs/dbraw/zinc/71/80/48/858718048.db2.gz MMNNEJRWLXDQDU-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001122219879 858718056 /nfs/dbraw/zinc/71/80/56/858718056.db2.gz MMNNEJRWLXDQDU-HVEGKCCWSA-N 2 1 321.465 1.300 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC001139469937 860416141 /nfs/dbraw/zinc/41/61/41/860416141.db2.gz IYGXCHSDGGJIQB-UHFFFAOYSA-N 2 1 316.449 1.579 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001225167842 881711882 /nfs/dbraw/zinc/71/18/82/881711882.db2.gz CVTMLHPLGKMASG-QGZVFWFLSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001330474859 864386992 /nfs/dbraw/zinc/38/69/92/864386992.db2.gz JKWRRZRSBOIVGE-BZSNNMDCSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001158763642 864888888 /nfs/dbraw/zinc/88/88/88/864888888.db2.gz HNLPVQCXLSCMIG-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001158900424 864962735 /nfs/dbraw/zinc/96/27/35/864962735.db2.gz FJXHGPOZUCBEAN-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001158900424 864962738 /nfs/dbraw/zinc/96/27/38/864962738.db2.gz FJXHGPOZUCBEAN-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158900424 864962744 /nfs/dbraw/zinc/96/27/44/864962744.db2.gz FJXHGPOZUCBEAN-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158900424 864962751 /nfs/dbraw/zinc/96/27/51/864962751.db2.gz FJXHGPOZUCBEAN-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001158900952 864965114 /nfs/dbraw/zinc/96/51/14/864965114.db2.gz PDFMCKFHMSZJDE-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001158900952 864965121 /nfs/dbraw/zinc/96/51/21/864965121.db2.gz PDFMCKFHMSZJDE-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158900952 864965130 /nfs/dbraw/zinc/96/51/30/864965130.db2.gz PDFMCKFHMSZJDE-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158900952 864965141 /nfs/dbraw/zinc/96/51/41/864965141.db2.gz PDFMCKFHMSZJDE-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001331279223 864984710 /nfs/dbraw/zinc/98/47/10/864984710.db2.gz BXONDORNULLCDL-SJORKVTESA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160150662 865700169 /nfs/dbraw/zinc/70/01/69/865700169.db2.gz OVGIKTWOQNYBCO-QGZVFWFLSA-N 2 1 303.450 1.653 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160155500 865702689 /nfs/dbraw/zinc/70/26/89/865702689.db2.gz IQJUJERZUDYVLY-SFHVURJKSA-N 2 1 315.461 1.490 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001160996621 866260739 /nfs/dbraw/zinc/26/07/39/866260739.db2.gz FEBZTXFKJGFMJV-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160996621 866260761 /nfs/dbraw/zinc/26/07/61/866260761.db2.gz FEBZTXFKJGFMJV-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001160996621 866260779 /nfs/dbraw/zinc/26/07/79/866260779.db2.gz FEBZTXFKJGFMJV-KRWDZBQOSA-N 2 1 321.465 1.420 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001320260777 866595279 /nfs/dbraw/zinc/59/52/79/866595279.db2.gz BGAIYTMUJLRBGS-DLBZAZTESA-N 2 1 323.481 1.426 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001161908586 867090725 /nfs/dbraw/zinc/09/07/25/867090725.db2.gz PCSJTZGVJWOCRD-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161908586 867090739 /nfs/dbraw/zinc/09/07/39/867090739.db2.gz PCSJTZGVJWOCRD-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161908586 867090749 /nfs/dbraw/zinc/09/07/49/867090749.db2.gz PCSJTZGVJWOCRD-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161908586 867090766 /nfs/dbraw/zinc/09/07/66/867090766.db2.gz PCSJTZGVJWOCRD-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325126121 867799000 /nfs/dbraw/zinc/79/90/00/867799000.db2.gz LQNKRZFPUCFKAN-KRWDZBQOSA-N 2 1 311.470 1.093 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001325126121 867799002 /nfs/dbraw/zinc/79/90/02/867799002.db2.gz LQNKRZFPUCFKAN-KRWDZBQOSA-N 2 1 311.470 1.093 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(=C)C)CC1 ZINC001165546234 869636173 /nfs/dbraw/zinc/63/61/73/869636173.db2.gz ZTOQVPJGEGEUCM-KRWDZBQOSA-N 2 1 317.477 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CCC(=C)C)CC1 ZINC001165546234 869636175 /nfs/dbraw/zinc/63/61/75/869636175.db2.gz ZTOQVPJGEGEUCM-KRWDZBQOSA-N 2 1 317.477 1.926 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001166205553 869901776 /nfs/dbraw/zinc/90/17/76/869901776.db2.gz OKTCMTSLMZNBFS-UHFFFAOYSA-N 2 1 314.433 1.271 20 30 DDEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001317003958 870109189 /nfs/dbraw/zinc/10/91/89/870109189.db2.gz GNQYYFWSRUNYLU-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(Cl)C[NH2+]CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001166699610 870166387 /nfs/dbraw/zinc/16/63/87/870166387.db2.gz SHJIHNFFFMXJNU-ZDUSSCGKSA-N 2 1 310.829 1.602 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166869513 870332530 /nfs/dbraw/zinc/33/25/30/870332530.db2.gz BDFZVHILHDTHMB-HNNXBMFYSA-N 2 1 314.433 1.263 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001317254240 870540545 /nfs/dbraw/zinc/54/05/45/870540545.db2.gz HYWSHLJSUOYLCV-OCCSQVGLSA-N 2 1 313.392 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001317254240 870540563 /nfs/dbraw/zinc/54/05/63/870540563.db2.gz HYWSHLJSUOYLCV-OCCSQVGLSA-N 2 1 313.392 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC(C)C)C1 ZINC001317327829 870651015 /nfs/dbraw/zinc/65/10/15/870651015.db2.gz WUOPPPPIKQBEDN-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC(C)C)C1 ZINC001317327829 870651026 /nfs/dbraw/zinc/65/10/26/870651026.db2.gz WUOPPPPIKQBEDN-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001317425418 870808490 /nfs/dbraw/zinc/80/84/90/870808490.db2.gz ZKZRKZGAGDEWLX-ROUUACIJSA-N 2 1 315.461 1.468 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001317425418 870808498 /nfs/dbraw/zinc/80/84/98/870808498.db2.gz ZKZRKZGAGDEWLX-ROUUACIJSA-N 2 1 315.461 1.468 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001317425418 870808507 /nfs/dbraw/zinc/80/85/07/870808507.db2.gz ZKZRKZGAGDEWLX-ROUUACIJSA-N 2 1 315.461 1.468 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001317425418 870808513 /nfs/dbraw/zinc/80/85/13/870808513.db2.gz ZKZRKZGAGDEWLX-ROUUACIJSA-N 2 1 315.461 1.468 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317433202 870825094 /nfs/dbraw/zinc/82/50/94/870825094.db2.gz DQSOJQDEULTGAU-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317433202 870825112 /nfs/dbraw/zinc/82/51/12/870825112.db2.gz DQSOJQDEULTGAU-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317433202 870825120 /nfs/dbraw/zinc/82/51/20/870825120.db2.gz DQSOJQDEULTGAU-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001276440061 870930022 /nfs/dbraw/zinc/93/00/22/870930022.db2.gz PBPCMNCJUHKSOW-CQSZACIVSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204798713 871239120 /nfs/dbraw/zinc/23/91/20/871239120.db2.gz MJZGNXNJOJUCTI-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205479774 871573668 /nfs/dbraw/zinc/57/36/68/871573668.db2.gz XWEWFMRGWKSFRP-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCC2CC2)CC1 ZINC001205479774 871573675 /nfs/dbraw/zinc/57/36/75/871573675.db2.gz XWEWFMRGWKSFRP-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001318374964 871967915 /nfs/dbraw/zinc/96/79/15/871967915.db2.gz XQYJIUOUROCHDU-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CC[NH2+]CC1(NC(=O)c2cc(C[NH+](C)C)on2)CCCC1 ZINC001318643892 872183175 /nfs/dbraw/zinc/18/31/75/872183175.db2.gz YFXHELWYADKQGQ-UHFFFAOYSA-N 2 1 304.394 1.002 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281952 872184372 /nfs/dbraw/zinc/18/43/72/872184372.db2.gz PJGRAYMOBVJRIK-WBVHZDCISA-N 2 1 323.481 1.215 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC001206475836 872360147 /nfs/dbraw/zinc/36/01/47/872360147.db2.gz RHEZKKKAMQKDEQ-UHFFFAOYSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790347 873566665 /nfs/dbraw/zinc/56/66/65/873566665.db2.gz POJGHWFEWULTLV-GDBMZVCRSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790347 873566673 /nfs/dbraw/zinc/56/66/73/873566673.db2.gz POJGHWFEWULTLV-GDBMZVCRSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790347 873566679 /nfs/dbraw/zinc/56/66/79/873566679.db2.gz POJGHWFEWULTLV-GDBMZVCRSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC=C)C1 ZINC001208356286 874052317 /nfs/dbraw/zinc/05/23/17/874052317.db2.gz NUZCDDAGZBOHIX-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCCC=C)C1 ZINC001208356286 874052332 /nfs/dbraw/zinc/05/23/32/874052332.db2.gz NUZCDDAGZBOHIX-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492794 874187255 /nfs/dbraw/zinc/18/72/55/874187255.db2.gz PMTVYKFPZAKWLX-IUODEOHRSA-N 2 1 320.462 1.508 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492794 874187259 /nfs/dbraw/zinc/18/72/59/874187259.db2.gz PMTVYKFPZAKWLX-IUODEOHRSA-N 2 1 320.462 1.508 20 30 DDEDMP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccccc1C#N ZINC001378120514 874187342 /nfs/dbraw/zinc/18/73/42/874187342.db2.gz GSQUMGUTCBRUBE-CQSZACIVSA-N 2 1 302.422 1.446 20 30 DDEDMP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1ccccc1C#N ZINC001378120514 874187346 /nfs/dbraw/zinc/18/73/46/874187346.db2.gz GSQUMGUTCBRUBE-CQSZACIVSA-N 2 1 302.422 1.446 20 30 DDEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001378133951 874216640 /nfs/dbraw/zinc/21/66/40/874216640.db2.gz ZMIGKBIHQUWZQA-PBHICJAKSA-N 2 1 316.449 1.835 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](Cc3cnccc3N)C2)C1=O ZINC001209724399 875078679 /nfs/dbraw/zinc/07/86/79/875078679.db2.gz AFIVCSBXHROCQC-KRWDZBQOSA-N 2 1 300.406 1.495 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001209724399 875078682 /nfs/dbraw/zinc/07/86/82/875078682.db2.gz AFIVCSBXHROCQC-KRWDZBQOSA-N 2 1 300.406 1.495 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1=O ZINC001209724399 875078689 /nfs/dbraw/zinc/07/86/89/875078689.db2.gz AFIVCSBXHROCQC-KRWDZBQOSA-N 2 1 300.406 1.495 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001211256721 875730591 /nfs/dbraw/zinc/73/05/91/875730591.db2.gz MBWSVJFHACJDQC-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213922314 876102918 /nfs/dbraw/zinc/10/29/18/876102918.db2.gz ZULBOWFXPUYYQB-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCN(C(=O)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001351821696 876449440 /nfs/dbraw/zinc/44/94/40/876449440.db2.gz PSSJUICIGMRTHI-UHFFFAOYSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCN(C(=O)C[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001351821696 876449447 /nfs/dbraw/zinc/44/94/47/876449447.db2.gz PSSJUICIGMRTHI-UHFFFAOYSA-N 2 1 313.445 1.674 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855556 876482689 /nfs/dbraw/zinc/48/26/89/876482689.db2.gz GKPINCKFZRFVRP-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\CC)C1 ZINC001214879473 876492170 /nfs/dbraw/zinc/49/21/70/876492170.db2.gz ZUTFTZQVEDRHLM-WDYWZEPKSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC/C=C\CC)C1 ZINC001214879473 876492176 /nfs/dbraw/zinc/49/21/76/876492176.db2.gz ZUTFTZQVEDRHLM-WDYWZEPKSA-N 2 1 317.477 1.877 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215563646 876752600 /nfs/dbraw/zinc/75/26/00/876752600.db2.gz KQJXCJZOSOENCH-HZPDHXFCSA-N 2 1 323.481 1.051 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987510 877104844 /nfs/dbraw/zinc/10/48/44/877104844.db2.gz KIRGQZYTINNTTR-SJLPKXTDSA-N 2 1 313.445 1.578 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216987510 877104850 /nfs/dbraw/zinc/10/48/50/877104850.db2.gz KIRGQZYTINNTTR-SJLPKXTDSA-N 2 1 313.445 1.578 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218919559 877808606 /nfs/dbraw/zinc/80/86/06/877808606.db2.gz SUOKDCDZHHAUHP-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919559 877808613 /nfs/dbraw/zinc/80/86/13/877808613.db2.gz SUOKDCDZHHAUHP-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919559 877808623 /nfs/dbraw/zinc/80/86/23/877808623.db2.gz SUOKDCDZHHAUHP-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355473 878949338 /nfs/dbraw/zinc/94/93/38/878949338.db2.gz QXZVHYHRCVRASH-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355473 878949347 /nfs/dbraw/zinc/94/93/47/878949347.db2.gz QXZVHYHRCVRASH-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355473 878949356 /nfs/dbraw/zinc/94/93/56/878949356.db2.gz QXZVHYHRCVRASH-ZACQAIPSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)CN1CC[NH+](CC)CC1 ZINC001357430284 879970690 /nfs/dbraw/zinc/97/06/90/879970690.db2.gz FOPCXXMJDOYJGW-HOTGVXAUSA-N 2 1 310.486 1.060 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001221658904 879990533 /nfs/dbraw/zinc/99/05/33/879990533.db2.gz AGTUTJWBADQTJK-NVXWUHKLSA-N 2 1 314.433 1.627 20 30 DDEDMP N#Cc1cccc(Cl)c1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222094763 880241435 /nfs/dbraw/zinc/24/14/35/880241435.db2.gz KCZZGSZCBHQNRA-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227953095 883251561 /nfs/dbraw/zinc/25/15/61/883251561.db2.gz AQSFVVYPLNFDFZ-BFYDXBDKSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227953095 883251575 /nfs/dbraw/zinc/25/15/75/883251575.db2.gz AQSFVVYPLNFDFZ-BFYDXBDKSA-N 2 1 323.481 1.641 20 30 DDEDMP CC#CC[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835532 884941189 /nfs/dbraw/zinc/94/11/89/884941189.db2.gz KUXALIHLRZNKNO-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835532 884941203 /nfs/dbraw/zinc/94/12/03/884941203.db2.gz KUXALIHLRZNKNO-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C[C@H](NC(=O)NCC#CC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001233954243 887493406 /nfs/dbraw/zinc/49/34/06/887493406.db2.gz SXBYKARDRDFKMA-JKSUJKDBSA-N 2 1 320.481 1.504 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354267 888584583 /nfs/dbraw/zinc/58/45/83/888584583.db2.gz LBCVRUAKYGQTSP-HZPDHXFCSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235354267 888584589 /nfs/dbraw/zinc/58/45/89/888584589.db2.gz LBCVRUAKYGQTSP-HZPDHXFCSA-N 2 1 309.454 1.062 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512378 888700868 /nfs/dbraw/zinc/70/08/68/888700868.db2.gz KBRWTDFFNXGTBG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512378 888700880 /nfs/dbraw/zinc/70/08/80/888700880.db2.gz KBRWTDFFNXGTBG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235512378 888700892 /nfs/dbraw/zinc/70/08/92/888700892.db2.gz KBRWTDFFNXGTBG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235512378 888700906 /nfs/dbraw/zinc/70/09/06/888700906.db2.gz KBRWTDFFNXGTBG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CCOC(=O)[C@]12C[N@H+](Cc3cccc(C#N)c3)C[C@H]1C[NH2+]CC2 ZINC001236039253 889074436 /nfs/dbraw/zinc/07/44/36/889074436.db2.gz YWPKBFITNTUWQT-SJLPKXTDSA-N 2 1 313.401 1.533 20 30 DDEDMP CCOC(=O)[C@]12C[N@@H+](Cc3cccc(C#N)c3)C[C@H]1C[NH2+]CC2 ZINC001236039253 889074450 /nfs/dbraw/zinc/07/44/50/889074450.db2.gz YWPKBFITNTUWQT-SJLPKXTDSA-N 2 1 313.401 1.533 20 30 DDEDMP C#CCC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001280883221 889324246 /nfs/dbraw/zinc/32/42/46/889324246.db2.gz GXZKEUFRKZPZSW-UHFFFAOYSA-N 2 1 303.450 1.135 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH2+]C23CC(C(=O)NC4(C#N)CCC4)(C2)C3)C1 ZINC001278147109 889852544 /nfs/dbraw/zinc/85/25/44/889852544.db2.gz HVKVVQXEXXMHPD-NXVRBGIVSA-N 2 1 316.449 1.403 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001246305457 892529618 /nfs/dbraw/zinc/52/96/18/892529618.db2.gz HROPSDYACDCJFM-XEZPLFJOSA-N 2 1 308.422 1.561 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001366597542 894187966 /nfs/dbraw/zinc/18/79/66/894187966.db2.gz SSESSPMXMJKQOW-UHFFFAOYSA-N 2 1 308.451 1.508 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(C#N)s1 ZINC001366597542 894187973 /nfs/dbraw/zinc/18/79/73/894187973.db2.gz SSESSPMXMJKQOW-UHFFFAOYSA-N 2 1 308.451 1.508 20 30 DDEDMP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(C#N)s1 ZINC001366597542 894187983 /nfs/dbraw/zinc/18/79/83/894187983.db2.gz SSESSPMXMJKQOW-UHFFFAOYSA-N 2 1 308.451 1.508 20 30 DDEDMP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001366597542 894187993 /nfs/dbraw/zinc/18/79/93/894187993.db2.gz SSESSPMXMJKQOW-UHFFFAOYSA-N 2 1 308.451 1.508 20 30 DDEDMP C=C(C)CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001264756403 901339400 /nfs/dbraw/zinc/33/94/00/901339400.db2.gz HMPJJELKTUIVCE-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001264756403 901339411 /nfs/dbraw/zinc/33/94/11/901339411.db2.gz HMPJJELKTUIVCE-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001264756403 901339424 /nfs/dbraw/zinc/33/94/24/901339424.db2.gz HMPJJELKTUIVCE-KRWDZBQOSA-N 2 1 323.481 1.332 20 30 DDEDMP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#CCOC)[NH+](C)C ZINC001265519393 902087210 /nfs/dbraw/zinc/08/72/10/902087210.db2.gz MZUXDLZDMHNCJF-NPYXIHBLSA-N 2 1 321.465 1.088 20 30 DDEDMP C#CC[NH2+]CCc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001266088438 902915307 /nfs/dbraw/zinc/91/53/07/902915307.db2.gz XSMIXNKXZQMJOL-GOSISDBHSA-N 2 1 313.445 1.410 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001392056737 903188166 /nfs/dbraw/zinc/18/81/66/903188166.db2.gz AXGWFCDXQVKUCI-MELADBBJSA-N 2 1 301.862 1.906 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCN2CCOCC2)CC1 ZINC001280758555 903997976 /nfs/dbraw/zinc/99/79/76/903997976.db2.gz BXAWFYQCHGFNLO-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001280758555 903997985 /nfs/dbraw/zinc/99/79/85/903997985.db2.gz BXAWFYQCHGFNLO-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001280758555 903997998 /nfs/dbraw/zinc/99/79/98/903997998.db2.gz BXAWFYQCHGFNLO-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001316611150 904898374 /nfs/dbraw/zinc/89/83/74/904898374.db2.gz XUUAOIIZKSIJET-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP CC#CC[NH2+]CC1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001282067699 905500873 /nfs/dbraw/zinc/50/08/73/905500873.db2.gz XITYJGMIKNJZAS-UHFFFAOYSA-N 2 1 323.400 1.389 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCOC(C)C)CC1 ZINC001282497932 905829971 /nfs/dbraw/zinc/82/99/71/905829971.db2.gz TXMMZSIONNROAG-MRXNPFEDSA-N 2 1 323.481 1.193 20 30 DDEDMP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001282702333 905964369 /nfs/dbraw/zinc/96/43/69/905964369.db2.gz ZNLMCWOWFXTLJM-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001282702333 905964386 /nfs/dbraw/zinc/96/43/86/905964386.db2.gz ZNLMCWOWFXTLJM-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001376154029 917825739 /nfs/dbraw/zinc/82/57/39/917825739.db2.gz XLABNUCKFOJBJM-SJORKVTESA-N 2 1 314.433 1.589 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001376154029 917825752 /nfs/dbraw/zinc/82/57/52/917825752.db2.gz XLABNUCKFOJBJM-SJORKVTESA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](C(=O)NC1(CCO)CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000329796657 223029905 /nfs/dbraw/zinc/02/99/05/223029905.db2.gz XAJHZGIGZMKZBL-CYBMUJFWSA-N 2 1 315.483 1.227 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600720640 358295557 /nfs/dbraw/zinc/29/55/57/358295557.db2.gz ILKDTWFJUJNBCT-IRXDYDNUSA-N 2 1 323.481 1.768 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600751880 358307590 /nfs/dbraw/zinc/30/75/90/358307590.db2.gz BZSGFXHKZPIEDH-KRWDZBQOSA-N 2 1 300.406 1.544 20 30 DDEDMP COCC[NH+]1CCC([NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602528842 359028339 /nfs/dbraw/zinc/02/83/39/359028339.db2.gz LPAJGYDCOCQYIA-OAHLLOKOSA-N 2 1 309.454 1.786 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876058 359260042 /nfs/dbraw/zinc/26/00/42/359260042.db2.gz CMQTYQFDXQBHNQ-WBVHZDCISA-N 2 1 320.481 1.847 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+](CC)C2CC2)CC1 ZINC000106271819 194193296 /nfs/dbraw/zinc/19/32/96/194193296.db2.gz MHVFDWOSJGFEEY-UHFFFAOYSA-N 2 1 308.470 1.810 20 30 DDEDMP COC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000341895897 533363023 /nfs/dbraw/zinc/36/30/23/533363023.db2.gz MWIJZXWMNMTWSK-QZTJIDSGSA-N 2 1 308.466 1.707 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000125168353 407381245 /nfs/dbraw/zinc/38/12/45/407381245.db2.gz ZEGHZSALBMDYQQ-ZBFHGGJFSA-N 2 1 320.481 1.951 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNc1ccccn1 ZINC000170905299 407551471 /nfs/dbraw/zinc/55/14/71/407551471.db2.gz FLQSNEMKPCNTGQ-AWEZNQCLSA-N 2 1 304.442 1.272 20 30 DDEDMP CC[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158248238 408333219 /nfs/dbraw/zinc/33/32/19/408333219.db2.gz OVRCCUZUNHQTCZ-SWLSCSKDSA-N 2 1 307.442 1.767 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc2ccccc2n1C ZINC000264063443 408357326 /nfs/dbraw/zinc/35/73/26/408357326.db2.gz DHBQEKFISIRWAJ-ZDUSSCGKSA-N 2 1 314.437 1.462 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccnc1OC ZINC000290669345 409482383 /nfs/dbraw/zinc/48/23/83/409482383.db2.gz OUFLQGKJVDUMSA-CQSZACIVSA-N 2 1 305.426 1.021 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000304806725 409645387 /nfs/dbraw/zinc/64/53/87/409645387.db2.gz SKPLPGVAXIZKMC-JKSUJKDBSA-N 2 1 308.470 1.582 20 30 DDEDMP CN1CCC(CNC(=[NH2+])N2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000304811290 409646449 /nfs/dbraw/zinc/64/64/49/409646449.db2.gz XBVCRPGXQBZXTN-UHFFFAOYSA-N 2 1 321.513 1.737 20 30 DDEDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCn3ccnc3C2)C1 ZINC000330181815 410576648 /nfs/dbraw/zinc/57/66/48/410576648.db2.gz GXEZTWDXSVJISS-RDBSUJKOSA-N 2 1 305.426 1.430 20 30 DDEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331244783 411038412 /nfs/dbraw/zinc/03/84/12/411038412.db2.gz ZVKQARQDYNQQAU-KGLIPLIRSA-N 2 1 314.474 1.018 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@]2(CCOC2)C1 ZINC000261965295 222265381 /nfs/dbraw/zinc/26/53/81/222265381.db2.gz LHSDAUMFFOGYSF-YJBOKZPZSA-N 2 1 320.481 1.549 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cnc2ccccc21 ZINC000264146131 222325447 /nfs/dbraw/zinc/32/54/47/222325447.db2.gz XZWUTIOGVNLRSD-CQSZACIVSA-N 2 1 314.437 1.425 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000262025162 222270947 /nfs/dbraw/zinc/27/09/47/222270947.db2.gz ZODSPEXTACZIJL-HLLBOEOZSA-N 3 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC[NH+]1CCCC[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262025162 222270949 /nfs/dbraw/zinc/27/09/49/222270949.db2.gz ZODSPEXTACZIJL-HLLBOEOZSA-N 3 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC[NH+]1CCCC[C@@H]1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262025162 222270951 /nfs/dbraw/zinc/27/09/51/222270951.db2.gz ZODSPEXTACZIJL-HLLBOEOZSA-N 3 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000262025162 222270954 /nfs/dbraw/zinc/27/09/54/222270954.db2.gz ZODSPEXTACZIJL-HLLBOEOZSA-N 2 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000262025162 222270955 /nfs/dbraw/zinc/27/09/55/222270955.db2.gz ZODSPEXTACZIJL-HLLBOEOZSA-N 2 1 321.513 1.509 20 30 DDEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262376396 222277845 /nfs/dbraw/zinc/27/78/45/222277845.db2.gz JPHKKDJJULWZJV-BVUBDWEXSA-N 2 1 320.481 1.592 20 30 DDEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262376396 222277847 /nfs/dbraw/zinc/27/78/47/222277847.db2.gz JPHKKDJJULWZJV-BVUBDWEXSA-N 2 1 320.481 1.592 20 30 DDEDMP C[NH+]=C(NCc1ccn(C)c1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262754636 222291195 /nfs/dbraw/zinc/29/11/95/222291195.db2.gz CXAXEYXAFRPPEM-HNNXBMFYSA-N 2 1 309.483 1.127 20 30 DDEDMP C[NH+]=C(NCC1CCSCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262757112 222292632 /nfs/dbraw/zinc/29/26/32/222292632.db2.gz DRPXTDWDFGGMBZ-GXTWGEPZSA-N 2 1 310.511 1.920 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(n1)CCCC2 ZINC000262996545 222300348 /nfs/dbraw/zinc/30/03/48/222300348.db2.gz WKPKOKYKOCCPQB-INIZCTEOSA-N 2 1 315.465 1.849 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccsc1)N(C)C ZINC000264068753 222313057 /nfs/dbraw/zinc/31/30/57/222313057.db2.gz CLZUAWMCAQIINO-HUUCEWRRSA-N 2 1 323.510 1.739 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccsc1 ZINC000267436204 222385820 /nfs/dbraw/zinc/38/58/20/222385820.db2.gz NWRSYKDFPDUANZ-UKRRQHHQSA-N 2 1 310.467 1.344 20 30 DDEDMP CC[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000377934016 418717169 /nfs/dbraw/zinc/71/71/69/418717169.db2.gz ZDLMHKIJAISYLB-QGZVFWFLSA-N 2 1 322.497 1.655 20 30 DDEDMP CC[N@H+]1CCO[C@@H](CN2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000377934016 418717172 /nfs/dbraw/zinc/71/71/72/418717172.db2.gz ZDLMHKIJAISYLB-QGZVFWFLSA-N 2 1 322.497 1.655 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000371337904 418779705 /nfs/dbraw/zinc/77/97/05/418779705.db2.gz WXSCXXFNEWJZLW-HNNXBMFYSA-N 2 1 302.422 1.752 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000371337904 418779707 /nfs/dbraw/zinc/77/97/07/418779707.db2.gz WXSCXXFNEWJZLW-HNNXBMFYSA-N 2 1 302.422 1.752 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000365548338 418874924 /nfs/dbraw/zinc/87/49/24/418874924.db2.gz PLOVKJADOGKINR-KSZLIROESA-N 2 1 315.461 1.274 20 30 DDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000447532740 420778701 /nfs/dbraw/zinc/77/87/01/420778701.db2.gz XGUJAJXMSYKAMP-GDBMZVCRSA-N 2 1 306.454 1.601 20 30 DDEDMP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449254867 420977564 /nfs/dbraw/zinc/97/75/64/420977564.db2.gz YZTQBIAPKSVLKR-INIZCTEOSA-N 2 1 315.461 1.974 20 30 DDEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000575052990 422245507 /nfs/dbraw/zinc/24/55/07/422245507.db2.gz XYBJPNMJCRVSER-QGZVFWFLSA-N 2 1 315.417 1.950 20 30 DDEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCn1cc[nH+]c1C ZINC000575052989 422245587 /nfs/dbraw/zinc/24/55/87/422245587.db2.gz XYBJPNMJCRVSER-KRWDZBQOSA-N 2 1 315.417 1.950 20 30 DDEDMP Cc1c(Cl)cnc(NCC[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596424662 422376131 /nfs/dbraw/zinc/37/61/31/422376131.db2.gz JOCNUBWCBSMEIQ-UHFFFAOYSA-N 2 1 309.845 2.211 20 30 DDEDMP Cc1c(Cl)cnc(NCC[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596424662 422376135 /nfs/dbraw/zinc/37/61/35/422376135.db2.gz JOCNUBWCBSMEIQ-UHFFFAOYSA-N 2 1 309.845 2.211 20 30 DDEDMP CCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264063782 276145252 /nfs/dbraw/zinc/14/52/52/276145252.db2.gz AIAWLBLBMZAZAI-INIZCTEOSA-N 2 1 303.454 1.289 20 30 DDEDMP CCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000264063782 276145253 /nfs/dbraw/zinc/14/52/53/276145253.db2.gz AIAWLBLBMZAZAI-INIZCTEOSA-N 2 1 303.454 1.289 20 30 DDEDMP CCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264063782 276145256 /nfs/dbraw/zinc/14/52/56/276145256.db2.gz AIAWLBLBMZAZAI-INIZCTEOSA-N 2 1 303.454 1.289 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCc2ccccc21 ZINC000262805006 276170415 /nfs/dbraw/zinc/17/04/15/276170415.db2.gz SJXOPBYPYSXWEY-CRAIPNDOSA-N 2 1 316.449 1.209 20 30 DDEDMP C=C(C)[C@H](CO)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671707627 485172628 /nfs/dbraw/zinc/17/26/28/485172628.db2.gz CEFUGNIAABEJGE-IBGZPJMESA-N 2 1 317.477 1.673 20 30 DDEDMP C=CCOCCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000348060208 526750409 /nfs/dbraw/zinc/75/04/09/526750409.db2.gz XIVMLNITXSNZPY-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000491121847 526826829 /nfs/dbraw/zinc/82/68/29/526826829.db2.gz SMDYYLUEVWQNJY-PKOBYXMFSA-N 2 1 314.477 1.837 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000491121847 526826832 /nfs/dbraw/zinc/82/68/32/526826832.db2.gz SMDYYLUEVWQNJY-PKOBYXMFSA-N 2 1 314.477 1.837 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000491121841 526830427 /nfs/dbraw/zinc/83/04/27/526830427.db2.gz SMDYYLUEVWQNJY-HKUYNNGSSA-N 2 1 314.477 1.837 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000491121841 526830430 /nfs/dbraw/zinc/83/04/30/526830430.db2.gz SMDYYLUEVWQNJY-HKUYNNGSSA-N 2 1 314.477 1.837 20 30 DDEDMP C#CCN(CC#C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000491414161 526840062 /nfs/dbraw/zinc/84/00/62/526840062.db2.gz BHPHQZIHPSOJAN-UHFFFAOYSA-N 2 1 315.461 1.278 20 30 DDEDMP C#CCNC(=O)CC[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000491743393 526981424 /nfs/dbraw/zinc/98/14/24/526981424.db2.gz RJEFTKDHMYYDNO-UHFFFAOYSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980216839 696710172 /nfs/dbraw/zinc/71/01/72/696710172.db2.gz RQUTUUYIPOPWMS-GVDBMIGSSA-N 2 1 315.461 1.322 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972684993 695316678 /nfs/dbraw/zinc/31/66/78/695316678.db2.gz ZVMNIKIGFYFCNC-KRWDZBQOSA-N 2 1 318.421 1.071 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972684993 695316680 /nfs/dbraw/zinc/31/66/80/695316680.db2.gz ZVMNIKIGFYFCNC-KRWDZBQOSA-N 2 1 318.421 1.071 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977300404 696109334 /nfs/dbraw/zinc/10/93/34/696109334.db2.gz FHEYTKWHMSZFOK-OAHLLOKOSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977658760 696247280 /nfs/dbraw/zinc/24/72/80/696247280.db2.gz VDWCQZFZPLAJNO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658760 696247281 /nfs/dbraw/zinc/24/72/81/696247281.db2.gz VDWCQZFZPLAJNO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658760 696247282 /nfs/dbraw/zinc/24/72/82/696247282.db2.gz VDWCQZFZPLAJNO-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC000978537254 696405857 /nfs/dbraw/zinc/40/58/57/696405857.db2.gz VAJVUSLQLQADGY-NNZMDNLPSA-N 2 1 322.412 1.966 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC000980167893 696698047 /nfs/dbraw/zinc/69/80/47/696698047.db2.gz GEARITBZFZOHKV-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981681286 696872797 /nfs/dbraw/zinc/87/27/97/696872797.db2.gz BGHFZKWMXZTUSK-QGZVFWFLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981681286 696872798 /nfs/dbraw/zinc/87/27/98/696872798.db2.gz BGHFZKWMXZTUSK-QGZVFWFLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324704 697066371 /nfs/dbraw/zinc/06/63/71/697066371.db2.gz SARFXPGYJILPKD-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324704 697066373 /nfs/dbraw/zinc/06/63/73/697066373.db2.gz SARFXPGYJILPKD-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324704 697066375 /nfs/dbraw/zinc/06/63/75/697066375.db2.gz SARFXPGYJILPKD-KRWDZBQOSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@]2(C)C1 ZINC000982296696 697086470 /nfs/dbraw/zinc/08/64/70/697086470.db2.gz XRJGCRDRHIKBAL-NXHRZFHOSA-N 2 1 305.466 1.683 20 30 DDEDMP CCc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000304755795 698624517 /nfs/dbraw/zinc/62/45/17/698624517.db2.gz NBPOCMAIUYNGAW-CQSZACIVSA-N 2 1 304.438 1.944 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCC[C@@H]([N@@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801936644 700357964 /nfs/dbraw/zinc/35/79/64/700357964.db2.gz UXVHUZCFHFVBNL-GVDBMIGSSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCC[C@@H]([N@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801936644 700357967 /nfs/dbraw/zinc/35/79/67/700357967.db2.gz UXVHUZCFHFVBNL-GVDBMIGSSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[N@H+]1CCC[C@@H]([NH+](C)CCO[C@@H](C)C#N)CC1 ZINC000801936644 700357970 /nfs/dbraw/zinc/35/79/70/700357970.db2.gz UXVHUZCFHFVBNL-GVDBMIGSSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]([NH+](C)CCO[C@@H](C)C#N)CC1 ZINC000801936644 700357971 /nfs/dbraw/zinc/35/79/71/700357971.db2.gz UXVHUZCFHFVBNL-GVDBMIGSSA-N 2 1 322.453 1.630 20 30 DDEDMP C=C[C@@H](C)ONC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000845631102 703184505 /nfs/dbraw/zinc/18/45/05/703184505.db2.gz PFGODRATHIVSIC-CABCVRRESA-N 2 1 312.458 1.550 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000847380134 703410913 /nfs/dbraw/zinc/41/09/13/703410913.db2.gz YDPUMENWSFIOGO-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000847380134 703410915 /nfs/dbraw/zinc/41/09/15/703410915.db2.gz YDPUMENWSFIOGO-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847380134 703410917 /nfs/dbraw/zinc/41/09/17/703410917.db2.gz YDPUMENWSFIOGO-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000820086673 704219023 /nfs/dbraw/zinc/21/90/23/704219023.db2.gz IVDRXCXGYQDJTM-HNNXBMFYSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000820086673 704219025 /nfs/dbraw/zinc/21/90/25/704219025.db2.gz IVDRXCXGYQDJTM-HNNXBMFYSA-N 2 1 308.470 1.313 20 30 DDEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC#CCOC)C2)ccn1 ZINC000856586877 704533040 /nfs/dbraw/zinc/53/30/40/704533040.db2.gz UPWZVXYWOBNKDZ-GOSISDBHSA-N 2 1 317.433 1.636 20 30 DDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC#CCOC)C2)ccn1 ZINC000856586877 704533041 /nfs/dbraw/zinc/53/30/41/704533041.db2.gz UPWZVXYWOBNKDZ-GOSISDBHSA-N 2 1 317.433 1.636 20 30 DDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC#CCOC)C2)ccn1 ZINC000856586877 704533042 /nfs/dbraw/zinc/53/30/42/704533042.db2.gz UPWZVXYWOBNKDZ-GOSISDBHSA-N 2 1 317.433 1.636 20 30 DDEDMP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000863553249 705956040 /nfs/dbraw/zinc/95/60/40/705956040.db2.gz XXRVXEMSVXWMID-HZPDHXFCSA-N 2 1 307.438 1.274 20 30 DDEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000878868490 706520619 /nfs/dbraw/zinc/52/06/19/706520619.db2.gz QLBWULBYSDRWNF-GOSISDBHSA-N 2 1 317.433 1.716 20 30 DDEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000878868490 706520620 /nfs/dbraw/zinc/52/06/20/706520620.db2.gz QLBWULBYSDRWNF-GOSISDBHSA-N 2 1 317.433 1.716 20 30 DDEDMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1)C(C)C ZINC000834495324 707070974 /nfs/dbraw/zinc/07/09/74/707070974.db2.gz UCZSZNRDIZOIOF-DLBZAZTESA-N 2 1 314.433 1.758 20 30 DDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000834495173 707071031 /nfs/dbraw/zinc/07/10/31/707071031.db2.gz SRMBVFBMINKWSF-ZACQAIPSSA-N 2 1 312.417 1.126 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H]1C ZINC000884225840 708199106 /nfs/dbraw/zinc/19/91/06/708199106.db2.gz DVLITHRZWIZXKH-GZOJWHRLSA-N 2 1 318.465 1.457 20 30 DDEDMP C=CCC1(O)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000886764615 708840450 /nfs/dbraw/zinc/84/04/50/708840450.db2.gz WZTAAOLAVWOGGP-UHFFFAOYSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000899814485 709204623 /nfs/dbraw/zinc/20/46/23/709204623.db2.gz HPSBOOGAKGNDGR-WBVHZDCISA-N 2 1 312.417 1.216 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000899814485 709204624 /nfs/dbraw/zinc/20/46/24/709204624.db2.gz HPSBOOGAKGNDGR-WBVHZDCISA-N 2 1 312.417 1.216 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000890373480 709844435 /nfs/dbraw/zinc/84/44/35/709844435.db2.gz VATRJPOKQHVQJZ-SJORKVTESA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000890373480 709844439 /nfs/dbraw/zinc/84/44/39/709844439.db2.gz VATRJPOKQHVQJZ-SJORKVTESA-N 2 1 318.465 1.354 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000911847277 711029262 /nfs/dbraw/zinc/02/92/62/711029262.db2.gz UJWAHFDUAVSFNO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903177318 711056469 /nfs/dbraw/zinc/05/64/69/711056469.db2.gz KPZUMCAYHOZXAC-AWEZNQCLSA-N 2 1 309.454 1.977 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903177318 711056475 /nfs/dbraw/zinc/05/64/75/711056475.db2.gz KPZUMCAYHOZXAC-AWEZNQCLSA-N 2 1 309.454 1.977 20 30 DDEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000903422394 711122028 /nfs/dbraw/zinc/12/20/28/711122028.db2.gz BIDCPVDBWUIRDU-INIZCTEOSA-N 2 1 314.433 1.462 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000913518066 713243134 /nfs/dbraw/zinc/24/31/34/713243134.db2.gz CJFHEVOXNWXLCJ-OAHLLOKOSA-N 2 1 307.825 1.624 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905094504 711934786 /nfs/dbraw/zinc/93/47/86/711934786.db2.gz GDTDQIYHSPDFSU-ROUUACIJSA-N 2 1 304.434 1.711 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000913870588 713312738 /nfs/dbraw/zinc/31/27/38/713312738.db2.gz WPDBSUSLIBPOMM-HNNXBMFYSA-N 2 1 318.421 1.279 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000914075796 713339076 /nfs/dbraw/zinc/33/90/76/713339076.db2.gz HZGZQYXWVDENQK-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000914219753 713361469 /nfs/dbraw/zinc/36/14/69/713361469.db2.gz BEBROTKBBDIXMB-DLBZAZTESA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000915663644 713426842 /nfs/dbraw/zinc/42/68/42/713426842.db2.gz SXCSQBFEQFXPHM-CQSZACIVSA-N 2 1 317.437 1.224 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442203 714098906 /nfs/dbraw/zinc/09/89/06/714098906.db2.gz XRSOFJPSMWVGOP-HIFRSBDPSA-N 2 1 300.362 1.850 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442203 714098910 /nfs/dbraw/zinc/09/89/10/714098910.db2.gz XRSOFJPSMWVGOP-HIFRSBDPSA-N 2 1 300.362 1.850 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442203 714098913 /nfs/dbraw/zinc/09/89/13/714098913.db2.gz XRSOFJPSMWVGOP-HIFRSBDPSA-N 2 1 300.362 1.850 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931442203 714098917 /nfs/dbraw/zinc/09/89/17/714098917.db2.gz XRSOFJPSMWVGOP-HIFRSBDPSA-N 2 1 300.362 1.850 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCNc1ccc(C)c[nH+]1 ZINC000922630683 714105368 /nfs/dbraw/zinc/10/53/68/714105368.db2.gz QZYGDDNFMSKMHO-UHFFFAOYSA-N 2 1 303.410 1.056 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCNc1ccc(C)c[nH+]1 ZINC000922630683 714105371 /nfs/dbraw/zinc/10/53/71/714105371.db2.gz QZYGDDNFMSKMHO-UHFFFAOYSA-N 2 1 303.410 1.056 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC000963960835 717955301 /nfs/dbraw/zinc/95/53/01/717955301.db2.gz JSNUOQPCWUZNEF-RFSHTEQGSA-N 2 1 317.477 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(C)C)C2 ZINC000963960835 717955302 /nfs/dbraw/zinc/95/53/02/717955302.db2.gz JSNUOQPCWUZNEF-RFSHTEQGSA-N 2 1 317.477 1.757 20 30 DDEDMP N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3C[C@H]([NH3+])C34CCC4)C2=O)cc1 ZINC000925651221 714907343 /nfs/dbraw/zinc/90/73/43/714907343.db2.gz YSMYKNGHPUTOMS-ULQDDVLXSA-N 2 1 324.428 1.519 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961193765 716856350 /nfs/dbraw/zinc/85/63/50/716856350.db2.gz CIUIIASJNYJRQY-SJORKVTESA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961193765 716856351 /nfs/dbraw/zinc/85/63/51/716856351.db2.gz CIUIIASJNYJRQY-SJORKVTESA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940864304 717001714 /nfs/dbraw/zinc/00/17/14/717001714.db2.gz JTSNYNNSPWBBFB-MRXNPFEDSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941138706 717113833 /nfs/dbraw/zinc/11/38/33/717113833.db2.gz LQHZVKSMXHPZMQ-QGZVFWFLSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962180790 717339604 /nfs/dbraw/zinc/33/96/04/717339604.db2.gz HLHAJQBLADRSRA-FVQHAEBGSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000965063165 717522776 /nfs/dbraw/zinc/52/27/76/717522776.db2.gz KWHRBTNDHOWDMR-UHFFFAOYSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945028222 718378242 /nfs/dbraw/zinc/37/82/42/718378242.db2.gz GBJVMTADFSRUCG-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946614613 718852988 /nfs/dbraw/zinc/85/29/88/718852988.db2.gz FMJVVZOONKPCLC-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946614613 718852995 /nfs/dbraw/zinc/85/29/95/718852995.db2.gz FMJVVZOONKPCLC-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946614613 718853001 /nfs/dbraw/zinc/85/30/01/718853001.db2.gz FMJVVZOONKPCLC-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000967925876 719090592 /nfs/dbraw/zinc/09/05/92/719090592.db2.gz TXLVQCPJIIUENZ-IAGOWNOFSA-N 2 1 312.417 1.343 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000947801890 719273772 /nfs/dbraw/zinc/27/37/72/719273772.db2.gz QHPFXGZRTWWPBD-MAUKXSAKSA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)[C@H](C)C2)CC1 ZINC000948071337 719349993 /nfs/dbraw/zinc/34/99/93/719349993.db2.gz XASKXTOTIFCVGY-CRAIPNDOSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](CC(=C)C)CC1 ZINC000948449705 719505048 /nfs/dbraw/zinc/50/50/48/719505048.db2.gz VRFIMCAVMMWPPZ-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC000948449705 719505055 /nfs/dbraw/zinc/50/50/55/719505055.db2.gz VRFIMCAVMMWPPZ-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(=C)C)CC1 ZINC000948449705 719505058 /nfs/dbraw/zinc/50/50/58/719505058.db2.gz VRFIMCAVMMWPPZ-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](CC(=C)C)CC1 ZINC000948449705 719505063 /nfs/dbraw/zinc/50/50/63/719505063.db2.gz VRFIMCAVMMWPPZ-MSOLQXFVSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498171 719624738 /nfs/dbraw/zinc/62/47/38/719624738.db2.gz XNYAFPIYEQJYCA-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP Cc1cc(C#N)cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680603 719648289 /nfs/dbraw/zinc/64/82/89/719648289.db2.gz XXZQYSLOCOKNQL-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP Cc1cc(C#N)cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680603 719648296 /nfs/dbraw/zinc/64/82/96/719648296.db2.gz XXZQYSLOCOKNQL-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)C)CC[C@@H]2C)CC1 ZINC000968682174 719733676 /nfs/dbraw/zinc/73/36/76/719733676.db2.gz OYVVYEVPDPOWFJ-FUHWJXTLSA-N 2 1 317.477 1.734 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968796235 719792027 /nfs/dbraw/zinc/79/20/27/719792027.db2.gz GICNLHQZKRZFDL-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968796235 719792031 /nfs/dbraw/zinc/79/20/31/719792031.db2.gz GICNLHQZKRZFDL-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796235 719792037 /nfs/dbraw/zinc/79/20/37/719792037.db2.gz GICNLHQZKRZFDL-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968796235 719792040 /nfs/dbraw/zinc/79/20/40/719792040.db2.gz GICNLHQZKRZFDL-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC000968925502 719875250 /nfs/dbraw/zinc/87/52/50/719875250.db2.gz FPWDPPLHBXCLGM-HOTGVXAUSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934495 719883871 /nfs/dbraw/zinc/88/38/71/719883871.db2.gz YFJDAUXGTXSPRR-MRXNPFEDSA-N 2 1 303.450 1.609 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC)CC1 ZINC000969156318 719980797 /nfs/dbraw/zinc/98/07/97/719980797.db2.gz PFCQAXYYSHQNBO-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000949474720 720111878 /nfs/dbraw/zinc/11/18/78/720111878.db2.gz JGUXPWDKMKMSLZ-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001023550748 735305768 /nfs/dbraw/zinc/30/57/68/735305768.db2.gz LARGGRPNZDMAJV-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550748 735305770 /nfs/dbraw/zinc/30/57/70/735305770.db2.gz LARGGRPNZDMAJV-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001023550748 735305772 /nfs/dbraw/zinc/30/57/72/735305772.db2.gz LARGGRPNZDMAJV-JKSUJKDBSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167093948 732569180 /nfs/dbraw/zinc/56/91/80/732569180.db2.gz YBDVHVWXSJMRSH-SJORKVTESA-N 2 1 301.434 1.614 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788272 733372257 /nfs/dbraw/zinc/37/22/57/733372257.db2.gz AUJHVIVTOFAGNH-QGZVFWFLSA-N 2 1 301.434 1.030 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021644154 733397926 /nfs/dbraw/zinc/39/79/26/733397926.db2.gz DWLUDCQGAIMTAE-HOTGVXAUSA-N 2 1 300.406 1.219 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021645489 733398279 /nfs/dbraw/zinc/39/82/79/733398279.db2.gz LXZORPDOCPVPEV-DLBZAZTESA-N 2 1 314.433 1.609 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670550 733426282 /nfs/dbraw/zinc/42/62/82/733426282.db2.gz LTPZAPHCXONRRP-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670550 733426284 /nfs/dbraw/zinc/42/62/84/733426284.db2.gz LTPZAPHCXONRRP-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670550 733426285 /nfs/dbraw/zinc/42/62/85/733426285.db2.gz LTPZAPHCXONRRP-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001121103578 782356946 /nfs/dbraw/zinc/35/69/46/782356946.db2.gz YZXKEJNPJGQHHT-APUKJBRXSA-N 2 1 317.477 1.900 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039416066 734360604 /nfs/dbraw/zinc/36/06/04/734360604.db2.gz HWBKICATZXSYAR-CVEARBPZSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001039416066 734360609 /nfs/dbraw/zinc/36/06/09/734360609.db2.gz HWBKICATZXSYAR-CVEARBPZSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001121294591 782444781 /nfs/dbraw/zinc/44/47/81/782444781.db2.gz DQRRMYRYHUGBLO-LMBQMVEXSA-N 2 1 303.450 1.511 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516571 735894150 /nfs/dbraw/zinc/89/41/50/735894150.db2.gz LJQDTDHJVQUHOP-CVEARBPZSA-N 2 1 314.433 1.440 20 30 DDEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516571 735894154 /nfs/dbraw/zinc/89/41/54/735894154.db2.gz LJQDTDHJVQUHOP-CVEARBPZSA-N 2 1 314.433 1.440 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)[C@@H]21 ZINC001087312750 736048718 /nfs/dbraw/zinc/04/87/18/736048718.db2.gz JTVGUMWCFRVGCN-BZUAXINKSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087317619 736080964 /nfs/dbraw/zinc/08/09/64/736080964.db2.gz KPHDFQVVTHSAHC-HYVNUMGLSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1cc[nH+]c1C ZINC001087317619 736080965 /nfs/dbraw/zinc/08/09/65/736080965.db2.gz KPHDFQVVTHSAHC-HYVNUMGLSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]12 ZINC001026368055 737429306 /nfs/dbraw/zinc/42/93/06/737429306.db2.gz MSPFPIPEBMACGH-BZUAXINKSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001026584199 737675399 /nfs/dbraw/zinc/67/53/99/737675399.db2.gz QLEQUTMGRMXAIN-UHFFFAOYSA-N 2 1 323.400 1.531 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001027468288 738321740 /nfs/dbraw/zinc/32/17/40/738321740.db2.gz AXSFMRWIPOHHSQ-CABCVRRESA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027468288 738321743 /nfs/dbraw/zinc/32/17/43/738321743.db2.gz AXSFMRWIPOHHSQ-CABCVRRESA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027468288 738321746 /nfs/dbraw/zinc/32/17/46/738321746.db2.gz AXSFMRWIPOHHSQ-CABCVRRESA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001027470104 738327382 /nfs/dbraw/zinc/32/73/82/738327382.db2.gz JKCDHQVDQVCCEM-GDBMZVCRSA-N 2 1 302.422 1.554 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041371078 739105749 /nfs/dbraw/zinc/10/57/49/739105749.db2.gz JZQFWWQYIDKIHK-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041371078 739105750 /nfs/dbraw/zinc/10/57/50/739105750.db2.gz JZQFWWQYIDKIHK-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001041371078 739105752 /nfs/dbraw/zinc/10/57/52/739105752.db2.gz JZQFWWQYIDKIHK-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028180910 739129027 /nfs/dbraw/zinc/12/90/27/739129027.db2.gz IRATVADASUICTD-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028180910 739129029 /nfs/dbraw/zinc/12/90/29/739129029.db2.gz IRATVADASUICTD-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028180910 739129031 /nfs/dbraw/zinc/12/90/31/739129031.db2.gz IRATVADASUICTD-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001035389816 751459858 /nfs/dbraw/zinc/45/98/58/751459858.db2.gz QVRQQYJINFFFGT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035389816 751459866 /nfs/dbraw/zinc/45/98/66/751459866.db2.gz QVRQQYJINFFFGT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389816 751459871 /nfs/dbraw/zinc/45/98/71/751459871.db2.gz QVRQQYJINFFFGT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389816 751459877 /nfs/dbraw/zinc/45/98/77/751459877.db2.gz QVRQQYJINFFFGT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001028845325 740104501 /nfs/dbraw/zinc/10/45/01/740104501.db2.gz IRFTWWMUDMHEGU-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001028845325 740104503 /nfs/dbraw/zinc/10/45/03/740104503.db2.gz IRFTWWMUDMHEGU-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001029004551 740250414 /nfs/dbraw/zinc/25/04/14/740250414.db2.gz YUKHQZPIXPDEST-KRWDZBQOSA-N 2 1 317.477 1.736 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035482545 751536206 /nfs/dbraw/zinc/53/62/06/751536206.db2.gz BGMQSAFOANRQMX-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482545 751536209 /nfs/dbraw/zinc/53/62/09/751536209.db2.gz BGMQSAFOANRQMX-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001035482545 751536214 /nfs/dbraw/zinc/53/62/14/751536214.db2.gz BGMQSAFOANRQMX-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC ZINC001037927144 751565779 /nfs/dbraw/zinc/56/57/79/751565779.db2.gz PFVOEDKTVGQVSD-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H]1CC ZINC001087601526 740672908 /nfs/dbraw/zinc/67/29/08/740672908.db2.gz WDPAWTNKUFJDRR-IXDOHACOSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H]1CC ZINC001087601526 740672910 /nfs/dbraw/zinc/67/29/10/740672910.db2.gz WDPAWTNKUFJDRR-IXDOHACOSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746299 740731013 /nfs/dbraw/zinc/73/10/13/740731013.db2.gz RHNZUVUCZTXYFO-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1CC ZINC001087746299 740731016 /nfs/dbraw/zinc/73/10/16/740731016.db2.gz RHNZUVUCZTXYFO-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C(C)C)CC[C@@H]2C1 ZINC001087998107 740939728 /nfs/dbraw/zinc/93/97/28/740939728.db2.gz RIJRIGRJDLUWGE-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C(C)C)CC[C@@H]2C1 ZINC001087998107 740939730 /nfs/dbraw/zinc/93/97/30/740939730.db2.gz RIJRIGRJDLUWGE-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C(C)C)CC[C@@H]2C1 ZINC001087998107 740939732 /nfs/dbraw/zinc/93/97/32/740939732.db2.gz RIJRIGRJDLUWGE-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C(C)C)CC[C@@H]2C1 ZINC001087998107 740939733 /nfs/dbraw/zinc/93/97/33/740939733.db2.gz RIJRIGRJDLUWGE-IKGGRYGDSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190254 741387078 /nfs/dbraw/zinc/38/70/78/741387078.db2.gz RYWQMMJRVFSRKD-CHWSQXEVSA-N 2 1 321.387 1.883 20 30 DDEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517858 742097193 /nfs/dbraw/zinc/09/71/93/742097193.db2.gz LLRLMEXATFSILF-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001076206336 742602297 /nfs/dbraw/zinc/60/22/97/742602297.db2.gz JZKKDRMWSJVDAX-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001181780855 743338368 /nfs/dbraw/zinc/33/83/68/743338368.db2.gz BSPJWANDSKBOCJ-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CC2 ZINC001035796430 751883745 /nfs/dbraw/zinc/88/37/45/751883745.db2.gz CRCJTYYYWOXHFL-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185168616 744169975 /nfs/dbraw/zinc/16/99/75/744169975.db2.gz HTYQUVXVYRAJFN-JKSUJKDBSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088891688 744348768 /nfs/dbraw/zinc/34/87/68/744348768.db2.gz JZJWKALWLMABFM-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H]1C ZINC001088891688 744348771 /nfs/dbraw/zinc/34/87/71/744348771.db2.gz JZJWKALWLMABFM-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H]2C)CC1 ZINC001089059246 744479224 /nfs/dbraw/zinc/47/92/24/744479224.db2.gz GAHSXKBBFJVJBO-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](F)CC)[C@@H]2C)CC1 ZINC001089059401 744479304 /nfs/dbraw/zinc/47/93/04/744479304.db2.gz KNMRAEZUJKGABX-PVAVHDDUSA-N 2 1 323.456 1.659 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001187291205 744535236 /nfs/dbraw/zinc/53/52/36/744535236.db2.gz MWOTUIZQCWQUSD-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCCN3C)CCC[C@@H]12 ZINC000992115822 744609799 /nfs/dbraw/zinc/60/97/99/744609799.db2.gz CTFXTLYQIRWNJF-JZXOWHBKSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC000992115822 744609804 /nfs/dbraw/zinc/60/98/04/744609804.db2.gz CTFXTLYQIRWNJF-JZXOWHBKSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC000992115822 744609807 /nfs/dbraw/zinc/60/98/07/744609807.db2.gz CTFXTLYQIRWNJF-JZXOWHBKSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCC[C@@H]12 ZINC000992115822 744609810 /nfs/dbraw/zinc/60/98/10/744609810.db2.gz CTFXTLYQIRWNJF-JZXOWHBKSA-N 2 1 303.450 1.607 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001188146181 744665700 /nfs/dbraw/zinc/66/57/00/744665700.db2.gz XSEJMVLCJLKKMB-CYBMUJFWSA-N 2 1 320.462 1.650 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCF)CC3)CC1 ZINC000992505902 744925833 /nfs/dbraw/zinc/92/58/33/744925833.db2.gz IIHDCMPFAACOFF-SJLPKXTDSA-N 2 1 321.440 1.414 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001190482745 745222112 /nfs/dbraw/zinc/22/21/12/745222112.db2.gz JKODELPGQIIBKG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001190482745 745222116 /nfs/dbraw/zinc/22/21/16/745222116.db2.gz JKODELPGQIIBKG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001190482745 745222121 /nfs/dbraw/zinc/22/21/21/745222121.db2.gz JKODELPGQIIBKG-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561627 745343989 /nfs/dbraw/zinc/34/39/89/745343989.db2.gz INXFMGDNVVEXAE-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561627 745343995 /nfs/dbraw/zinc/34/39/95/745343995.db2.gz INXFMGDNVVEXAE-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001046561627 745344003 /nfs/dbraw/zinc/34/40/03/745344003.db2.gz INXFMGDNVVEXAE-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191029699 745408199 /nfs/dbraw/zinc/40/81/99/745408199.db2.gz LZGNTUKHKINRTP-INIZCTEOSA-N 2 1 302.422 1.627 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191544121 745538915 /nfs/dbraw/zinc/53/89/15/745538915.db2.gz ZEDHIEIGOHMNCU-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP COCC#CCN(C)[C@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1 ZINC001192577389 745829405 /nfs/dbraw/zinc/82/94/05/745829405.db2.gz GEKQZILCMMFZHB-HOTGVXAUSA-N 2 1 318.421 1.017 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715592 745957024 /nfs/dbraw/zinc/95/70/24/745957024.db2.gz FRHHZGIMMJHSON-HUUCEWRRSA-N 2 1 304.438 1.877 20 30 DDEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193489648 746118636 /nfs/dbraw/zinc/11/86/36/746118636.db2.gz YWDGYITZWFKSES-JKSUJKDBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193729288 746180672 /nfs/dbraw/zinc/18/06/72/746180672.db2.gz XFZAWWYMPHHGSP-GVDBMIGSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729288 746180677 /nfs/dbraw/zinc/18/06/77/746180677.db2.gz XFZAWWYMPHHGSP-GVDBMIGSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729288 746180681 /nfs/dbraw/zinc/18/06/81/746180681.db2.gz XFZAWWYMPHHGSP-GVDBMIGSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001194227801 746313448 /nfs/dbraw/zinc/31/34/48/746313448.db2.gz NPPDYQOLOJYCJV-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993803954 746328524 /nfs/dbraw/zinc/32/85/24/746328524.db2.gz JYBAIPYXIFLRQQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1C ZINC000993803954 746328530 /nfs/dbraw/zinc/32/85/30/746328530.db2.gz JYBAIPYXIFLRQQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993803954 746328539 /nfs/dbraw/zinc/32/85/39/746328539.db2.gz JYBAIPYXIFLRQQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC000993803954 746328546 /nfs/dbraw/zinc/32/85/46/746328546.db2.gz JYBAIPYXIFLRQQ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001194449642 746375080 /nfs/dbraw/zinc/37/50/80/746375080.db2.gz WEZUYLPHNBQHHH-KRWDZBQOSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001194449642 746375087 /nfs/dbraw/zinc/37/50/87/746375087.db2.gz WEZUYLPHNBQHHH-KRWDZBQOSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449642 746375093 /nfs/dbraw/zinc/37/50/93/746375093.db2.gz WEZUYLPHNBQHHH-KRWDZBQOSA-N 2 1 301.434 1.837 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001194449642 746375100 /nfs/dbraw/zinc/37/51/00/746375100.db2.gz WEZUYLPHNBQHHH-KRWDZBQOSA-N 2 1 301.434 1.837 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994005415 746417787 /nfs/dbraw/zinc/41/77/87/746417787.db2.gz LSPOPDFZUFWQKG-CRAIPNDOSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001195908137 746734390 /nfs/dbraw/zinc/73/43/90/746734390.db2.gz VDQLWPGTGCXZMB-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001195908137 746734395 /nfs/dbraw/zinc/73/43/95/746734395.db2.gz VDQLWPGTGCXZMB-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001195908137 746734401 /nfs/dbraw/zinc/73/44/01/746734401.db2.gz VDQLWPGTGCXZMB-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001003056343 746946476 /nfs/dbraw/zinc/94/64/76/746946476.db2.gz PSXPMKIWKDLLRW-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H](C)F)CC1 ZINC001003056343 746946481 /nfs/dbraw/zinc/94/64/81/746946481.db2.gz PSXPMKIWKDLLRW-HOCLYGCPSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)COC[C@H](C)[NH+]2CCCC2)CC1 ZINC001197196418 747099801 /nfs/dbraw/zinc/09/98/01/747099801.db2.gz SFESLNQFSDLHOT-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001127685130 748146394 /nfs/dbraw/zinc/14/63/94/748146394.db2.gz DNJVRCWDSVDGRY-MLGOLLRUSA-N 2 1 318.396 1.243 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC001127685130 748146401 /nfs/dbraw/zinc/14/64/01/748146401.db2.gz DNJVRCWDSVDGRY-MLGOLLRUSA-N 2 1 318.396 1.243 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c(n2)CCCC3)C1 ZINC001033097378 748252324 /nfs/dbraw/zinc/25/23/24/748252324.db2.gz SEMRQXQWULRESM-INIZCTEOSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200477362 748266282 /nfs/dbraw/zinc/26/62/82/748266282.db2.gz AFBIKEKJQIIXOU-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001031978123 748342060 /nfs/dbraw/zinc/34/20/60/748342060.db2.gz OXDUIBOEDYUDQY-INIZCTEOSA-N 2 1 316.449 1.768 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033201451 748909797 /nfs/dbraw/zinc/90/97/97/748909797.db2.gz DACHBVHICLFJDM-HOCLYGCPSA-N 2 1 300.406 1.002 20 30 DDEDMP CC#CCN1CC[C@H](N(C)C(=O)[C@H]2CCc3cncn3C2)C1 ZINC001033201451 748909800 /nfs/dbraw/zinc/90/98/00/748909800.db2.gz DACHBVHICLFJDM-HOCLYGCPSA-N 2 1 300.406 1.002 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033267156 749089048 /nfs/dbraw/zinc/08/90/48/749089048.db2.gz AGAHEHWSGZFQPN-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033267156 749089052 /nfs/dbraw/zinc/08/90/52/749089052.db2.gz AGAHEHWSGZFQPN-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCC=C ZINC001153867567 749285905 /nfs/dbraw/zinc/28/59/05/749285905.db2.gz AIVVODHPLDWCMH-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCC=C ZINC001153867567 749285907 /nfs/dbraw/zinc/28/59/07/749285907.db2.gz AIVVODHPLDWCMH-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC=C ZINC001153867567 749285912 /nfs/dbraw/zinc/28/59/12/749285912.db2.gz AIVVODHPLDWCMH-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCC=C ZINC001153867567 749285916 /nfs/dbraw/zinc/28/59/16/749285916.db2.gz AIVVODHPLDWCMH-SJORKVTESA-N 2 1 305.466 1.877 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033414782 749312009 /nfs/dbraw/zinc/31/20/09/749312009.db2.gz FBVBNSIGVOBBTO-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033414782 749312018 /nfs/dbraw/zinc/31/20/18/749312018.db2.gz FBVBNSIGVOBBTO-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033414782 749312023 /nfs/dbraw/zinc/31/20/23/749312023.db2.gz FBVBNSIGVOBBTO-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033576476 749552066 /nfs/dbraw/zinc/55/20/66/749552066.db2.gz VRBRPEKREBQZIN-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518996 749651871 /nfs/dbraw/zinc/65/18/71/749651871.db2.gz MBFDLZQYHCKSQI-KGLIPLIRSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033836116 749959675 /nfs/dbraw/zinc/95/96/75/749959675.db2.gz LLDMURMNWLUSQW-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001039397804 761996855 /nfs/dbraw/zinc/99/68/55/761996855.db2.gz BDNPGMIBIGQCHT-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001039397804 761996857 /nfs/dbraw/zinc/99/68/57/761996857.db2.gz BDNPGMIBIGQCHT-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397804 761996861 /nfs/dbraw/zinc/99/68/61/761996861.db2.gz BDNPGMIBIGQCHT-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001039397804 761996864 /nfs/dbraw/zinc/99/68/64/761996864.db2.gz BDNPGMIBIGQCHT-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095661476 750119996 /nfs/dbraw/zinc/11/99/96/750119996.db2.gz AHJXDPAJWCTLEF-COXVUDFISA-N 2 1 308.385 1.611 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001095661476 750119999 /nfs/dbraw/zinc/11/99/99/750119999.db2.gz AHJXDPAJWCTLEF-COXVUDFISA-N 2 1 308.385 1.611 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932311 750144702 /nfs/dbraw/zinc/14/47/02/750144702.db2.gz LEVJJGJBHMPSRW-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932311 750144707 /nfs/dbraw/zinc/14/47/07/750144707.db2.gz LEVJJGJBHMPSRW-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932311 750144714 /nfs/dbraw/zinc/14/47/14/750144714.db2.gz LEVJJGJBHMPSRW-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932311 750144718 /nfs/dbraw/zinc/14/47/18/750144718.db2.gz LEVJJGJBHMPSRW-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107635411 750274336 /nfs/dbraw/zinc/27/43/36/750274336.db2.gz OQJYCCXJGPMNCB-SJLPKXTDSA-N 2 1 314.433 1.576 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107635411 750274343 /nfs/dbraw/zinc/27/43/43/750274343.db2.gz OQJYCCXJGPMNCB-SJLPKXTDSA-N 2 1 314.433 1.576 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428592 762023891 /nfs/dbraw/zinc/02/38/91/762023891.db2.gz UMQWBOXEPWCYRV-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001000697469 762105447 /nfs/dbraw/zinc/10/54/47/762105447.db2.gz XJNPJYAZFMYHSD-DLBZAZTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000697469 762105452 /nfs/dbraw/zinc/10/54/52/762105452.db2.gz XJNPJYAZFMYHSD-DLBZAZTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000697469 762105457 /nfs/dbraw/zinc/10/54/57/762105457.db2.gz XJNPJYAZFMYHSD-DLBZAZTESA-N 2 1 303.450 1.488 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000715606 762124737 /nfs/dbraw/zinc/12/47/37/762124737.db2.gz TWNLOZKTDRACQP-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001000715606 762124741 /nfs/dbraw/zinc/12/47/41/762124741.db2.gz TWNLOZKTDRACQP-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001000715606 762124746 /nfs/dbraw/zinc/12/47/46/762124746.db2.gz TWNLOZKTDRACQP-IRXDYDNUSA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007986921 752483697 /nfs/dbraw/zinc/48/36/97/752483697.db2.gz AFYFEJVXDXDCMB-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007986921 752483702 /nfs/dbraw/zinc/48/37/02/752483702.db2.gz AFYFEJVXDXDCMB-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007986921 752483710 /nfs/dbraw/zinc/48/37/10/752483710.db2.gz AFYFEJVXDXDCMB-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008536062 752788525 /nfs/dbraw/zinc/78/85/25/752788525.db2.gz WDJGVORQLUQRNE-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008536062 752788530 /nfs/dbraw/zinc/78/85/30/752788530.db2.gz WDJGVORQLUQRNE-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009612037 753278144 /nfs/dbraw/zinc/27/81/44/753278144.db2.gz PZJLZPONYGHPMP-SFHVURJKSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001032726467 753367860 /nfs/dbraw/zinc/36/78/60/753367860.db2.gz LZUFFMMHWJCSBN-BZSNNMDCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001032726467 753367867 /nfs/dbraw/zinc/36/78/67/753367867.db2.gz LZUFFMMHWJCSBN-BZSNNMDCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001032726467 753367873 /nfs/dbraw/zinc/36/78/73/753367873.db2.gz LZUFFMMHWJCSBN-BZSNNMDCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001032726467 753367898 /nfs/dbraw/zinc/36/78/98/753367898.db2.gz LZUFFMMHWJCSBN-BZSNNMDCSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C12CCC2 ZINC001078666156 754282473 /nfs/dbraw/zinc/28/24/73/754282473.db2.gz PKFUCGZFNAOUMO-HUUCEWRRSA-N 2 1 318.421 1.553 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001835018 754545191 /nfs/dbraw/zinc/54/51/91/754545191.db2.gz ULXICPHJWVZZEX-SWLSCSKDSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001001835018 754545193 /nfs/dbraw/zinc/54/51/93/754545193.db2.gz ULXICPHJWVZZEX-SWLSCSKDSA-N 2 1 313.873 1.765 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001079850673 755621618 /nfs/dbraw/zinc/62/16/18/755621618.db2.gz QKWXDAVVWVIVMV-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001079850673 755621622 /nfs/dbraw/zinc/62/16/22/755621622.db2.gz QKWXDAVVWVIVMV-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001079850673 755621626 /nfs/dbraw/zinc/62/16/26/755621626.db2.gz QKWXDAVVWVIVMV-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711924 755902442 /nfs/dbraw/zinc/90/24/42/755902442.db2.gz QCAMWAXLOVAIOK-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711924 755902446 /nfs/dbraw/zinc/90/24/46/755902446.db2.gz QCAMWAXLOVAIOK-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711924 755902451 /nfs/dbraw/zinc/90/24/51/755902451.db2.gz QCAMWAXLOVAIOK-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040209172 762440331 /nfs/dbraw/zinc/44/03/31/762440331.db2.gz GWDQPTLBTNXMFZ-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209172 762440332 /nfs/dbraw/zinc/44/03/32/762440332.db2.gz GWDQPTLBTNXMFZ-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209172 762440333 /nfs/dbraw/zinc/44/03/33/762440333.db2.gz GWDQPTLBTNXMFZ-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001015326325 756242701 /nfs/dbraw/zinc/24/27/01/756242701.db2.gz YUADASNGNXLEOQ-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001015326325 756242707 /nfs/dbraw/zinc/24/27/07/756242707.db2.gz YUADASNGNXLEOQ-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001015326325 756242711 /nfs/dbraw/zinc/24/27/11/756242711.db2.gz YUADASNGNXLEOQ-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001040262618 762467459 /nfs/dbraw/zinc/46/74/59/762467459.db2.gz TVBVPUVVUHLDED-AEFFLSMTSA-N 2 1 305.466 1.664 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256243 756876897 /nfs/dbraw/zinc/87/68/97/756876897.db2.gz QZBGTISYZVZDJJ-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256243 756876902 /nfs/dbraw/zinc/87/69/02/756876902.db2.gz QZBGTISYZVZDJJ-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001016256243 756876908 /nfs/dbraw/zinc/87/69/08/756876908.db2.gz QZBGTISYZVZDJJ-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001016541220 757145509 /nfs/dbraw/zinc/14/55/09/757145509.db2.gz XMBQWIOSVPDJKT-ZIAGYGMSSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083175110 757177797 /nfs/dbraw/zinc/17/77/97/757177797.db2.gz KDHGEYIVZKIEDC-LUKYLMHMSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001083175110 757177799 /nfs/dbraw/zinc/17/77/99/757177799.db2.gz KDHGEYIVZKIEDC-LUKYLMHMSA-N 2 1 321.465 1.204 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611681 757203615 /nfs/dbraw/zinc/20/36/15/757203615.db2.gz FAQOBTDUUQXDOD-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097581040 757259770 /nfs/dbraw/zinc/25/97/70/757259770.db2.gz NADHRCLCRWBPOO-BDXSIMOUSA-N 2 1 315.461 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097581040 757259777 /nfs/dbraw/zinc/25/97/77/757259777.db2.gz NADHRCLCRWBPOO-BDXSIMOUSA-N 2 1 315.461 1.606 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016861672 757416269 /nfs/dbraw/zinc/41/62/69/757416269.db2.gz PAICJWDYVPBEBT-DLBZAZTESA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476124 757613997 /nfs/dbraw/zinc/61/39/97/757613997.db2.gz KCRFISIANIDPHJ-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476124 757614000 /nfs/dbraw/zinc/61/40/00/757614000.db2.gz KCRFISIANIDPHJ-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476124 757614004 /nfs/dbraw/zinc/61/40/04/757614004.db2.gz KCRFISIANIDPHJ-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)[C@@H]2C1 ZINC001084476124 757614006 /nfs/dbraw/zinc/61/40/06/757614006.db2.gz KCRFISIANIDPHJ-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476310 757615986 /nfs/dbraw/zinc/61/59/86/757615986.db2.gz SCOJFGXCOMUSPY-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476310 757615988 /nfs/dbraw/zinc/61/59/88/757615988.db2.gz SCOJFGXCOMUSPY-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476310 757615990 /nfs/dbraw/zinc/61/59/90/757615990.db2.gz SCOJFGXCOMUSPY-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001090399281 757733397 /nfs/dbraw/zinc/73/33/97/757733397.db2.gz MUNMDTFSEJTSNS-HOTGVXAUSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001052764999 757740874 /nfs/dbraw/zinc/74/08/74/757740874.db2.gz VDXYOEAEVBWKDO-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664228 757747883 /nfs/dbraw/zinc/74/78/83/757747883.db2.gz MEYDAKHXVFSOQZ-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664228 757747887 /nfs/dbraw/zinc/74/78/87/757747887.db2.gz MEYDAKHXVFSOQZ-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084664228 757747890 /nfs/dbraw/zinc/74/78/90/757747890.db2.gz MEYDAKHXVFSOQZ-HZPDHXFCSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701421 757792022 /nfs/dbraw/zinc/79/20/22/757792022.db2.gz CLTAZAKPGQJGKO-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701421 757792028 /nfs/dbraw/zinc/79/20/28/757792028.db2.gz CLTAZAKPGQJGKO-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701421 757792032 /nfs/dbraw/zinc/79/20/32/757792032.db2.gz CLTAZAKPGQJGKO-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701421 757792037 /nfs/dbraw/zinc/79/20/37/757792037.db2.gz CLTAZAKPGQJGKO-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001052947524 757994061 /nfs/dbraw/zinc/99/40/61/757994061.db2.gz RVSCLZUWIKSYCR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001052947524 757994068 /nfs/dbraw/zinc/99/40/68/757994068.db2.gz RVSCLZUWIKSYCR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947524 757994072 /nfs/dbraw/zinc/99/40/72/757994072.db2.gz RVSCLZUWIKSYCR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001052947524 757994078 /nfs/dbraw/zinc/99/40/78/757994078.db2.gz RVSCLZUWIKSYCR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958341 758099660 /nfs/dbraw/zinc/09/96/60/758099660.db2.gz WCLINQFMUHZYMA-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958341 758099669 /nfs/dbraw/zinc/09/96/69/758099669.db2.gz WCLINQFMUHZYMA-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958341 758099677 /nfs/dbraw/zinc/09/96/77/758099677.db2.gz WCLINQFMUHZYMA-SQNIBIBYSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001017945094 758413757 /nfs/dbraw/zinc/41/37/57/758413757.db2.gz OVGXJCNXZRVGTG-NXOAAHMSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001017945094 758413752 /nfs/dbraw/zinc/41/37/52/758413752.db2.gz OVGXJCNXZRVGTG-NXOAAHMSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC001017945094 758413756 /nfs/dbraw/zinc/41/37/56/758413756.db2.gz OVGXJCNXZRVGTG-NXOAAHMSSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO2 ZINC001053414103 758443554 /nfs/dbraw/zinc/44/35/54/758443554.db2.gz FCRGLZWRRODZSH-MRXNPFEDSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018310056 758719473 /nfs/dbraw/zinc/71/94/73/758719473.db2.gz DPDUEPYQVRFSPE-KSZLIROESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001018310056 758719476 /nfs/dbraw/zinc/71/94/76/758719476.db2.gz DPDUEPYQVRFSPE-KSZLIROESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054148312 759228092 /nfs/dbraw/zinc/22/80/92/759228092.db2.gz MBEHZRBKYWXFIC-FUHWJXTLSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054198060 759283680 /nfs/dbraw/zinc/28/36/80/759283680.db2.gz OMVHAFQRGRUDOC-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198060 759283685 /nfs/dbraw/zinc/28/36/85/759283685.db2.gz OMVHAFQRGRUDOC-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198060 759283691 /nfs/dbraw/zinc/28/36/91/759283691.db2.gz OMVHAFQRGRUDOC-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001085429603 759352159 /nfs/dbraw/zinc/35/21/59/759352159.db2.gz YWZJVCHJEMFTNF-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001085429603 759352168 /nfs/dbraw/zinc/35/21/68/759352168.db2.gz YWZJVCHJEMFTNF-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291649 759399928 /nfs/dbraw/zinc/39/99/28/759399928.db2.gz AQJPUBUXBHTRPJ-QGZVFWFLSA-N 2 1 311.429 1.593 20 30 DDEDMP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054291649 759399935 /nfs/dbraw/zinc/39/99/35/759399935.db2.gz AQJPUBUXBHTRPJ-QGZVFWFLSA-N 2 1 311.429 1.593 20 30 DDEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001054291649 759399941 /nfs/dbraw/zinc/39/99/41/759399941.db2.gz AQJPUBUXBHTRPJ-QGZVFWFLSA-N 2 1 311.429 1.593 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC=C)C2)CC1 ZINC001046850205 767982460 /nfs/dbraw/zinc/98/24/60/767982460.db2.gz PLMIBCNMWAGEDS-SFHVURJKSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCCF)C2)CC1 ZINC001046850318 767983954 /nfs/dbraw/zinc/98/39/54/767983954.db2.gz SKPOOUVZRUKDSJ-KRWDZBQOSA-N 2 1 309.429 1.272 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001038346076 761032053 /nfs/dbraw/zinc/03/20/53/761032053.db2.gz OHDJDAPBPPGRSP-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346076 761032060 /nfs/dbraw/zinc/03/20/60/761032060.db2.gz OHDJDAPBPPGRSP-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346076 761032066 /nfs/dbraw/zinc/03/20/66/761032066.db2.gz OHDJDAPBPPGRSP-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001040947178 762740549 /nfs/dbraw/zinc/74/05/49/762740549.db2.gz NDDKENVNJUQZHQ-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001405782 762833371 /nfs/dbraw/zinc/83/33/71/762833371.db2.gz UKZVEXAAQAEOQZ-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1C)C2 ZINC001108821653 762976460 /nfs/dbraw/zinc/97/64/60/762976460.db2.gz REWSUSOOKMATEW-JYJNAYRXSA-N 2 1 300.406 1.184 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCCC)C2)C1 ZINC001041366785 762983032 /nfs/dbraw/zinc/98/30/32/762983032.db2.gz BUZVKKHPAJEYCQ-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001041366785 762983035 /nfs/dbraw/zinc/98/30/35/762983035.db2.gz BUZVKKHPAJEYCQ-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCC)C2)C1 ZINC001041366785 762983037 /nfs/dbraw/zinc/98/30/37/762983037.db2.gz BUZVKKHPAJEYCQ-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCC)C2)C1 ZINC001041366785 762983040 /nfs/dbraw/zinc/98/30/40/762983040.db2.gz BUZVKKHPAJEYCQ-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001041536407 763114401 /nfs/dbraw/zinc/11/44/01/763114401.db2.gz NLBSGEKITPAPPQ-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094786 763642806 /nfs/dbraw/zinc/64/28/06/763642806.db2.gz XFXADGOHUMNZBO-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042356969 763958305 /nfs/dbraw/zinc/95/83/05/763958305.db2.gz VKUPQPSCJRWKKI-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042356969 763958314 /nfs/dbraw/zinc/95/83/14/763958314.db2.gz VKUPQPSCJRWKKI-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109714249 763969701 /nfs/dbraw/zinc/96/97/01/763969701.db2.gz DIMOZQSCUDYMMJ-QZWWFDLISA-N 2 1 305.466 1.852 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001042367303 763971229 /nfs/dbraw/zinc/97/12/29/763971229.db2.gz FOISJESNBZXDIJ-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975865 764246656 /nfs/dbraw/zinc/24/66/56/764246656.db2.gz HZLUENNKWBGHAI-NCOADZHNSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109975865 764246664 /nfs/dbraw/zinc/24/66/64/764246664.db2.gz HZLUENNKWBGHAI-NCOADZHNSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045073503 766078229 /nfs/dbraw/zinc/07/82/29/766078229.db2.gz IAUNHMOYRSXMER-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1 ZINC001045073503 766078236 /nfs/dbraw/zinc/07/82/36/766078236.db2.gz IAUNHMOYRSXMER-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001045444366 766310576 /nfs/dbraw/zinc/31/05/76/766310576.db2.gz LFCFXKYGCOLGPK-CABCVRRESA-N 2 1 307.438 1.006 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444369 766311443 /nfs/dbraw/zinc/31/14/43/766311443.db2.gz LFCFXKYGCOLGPK-LSDHHAIUSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001045479181 766336292 /nfs/dbraw/zinc/33/62/92/766336292.db2.gz VRISPIQULHHCRO-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533656 766384202 /nfs/dbraw/zinc/38/42/02/766384202.db2.gz RKUXVDNLBQOFFS-MRXNPFEDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533656 766384210 /nfs/dbraw/zinc/38/42/10/766384210.db2.gz RKUXVDNLBQOFFS-MRXNPFEDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001045664273 766489513 /nfs/dbraw/zinc/48/95/13/766489513.db2.gz YONKLSOXQFZYGH-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001046062745 766877381 /nfs/dbraw/zinc/87/73/81/766877381.db2.gz JEWVYUPHHMOEDL-SJORKVTESA-N 2 1 322.497 1.121 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)cc(F)c1 ZINC001129763046 766993006 /nfs/dbraw/zinc/99/30/06/766993006.db2.gz XXDDMDJCHNNNDW-INIZCTEOSA-N 2 1 321.371 1.268 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001131815634 768398457 /nfs/dbraw/zinc/39/84/57/768398457.db2.gz MNMBTSOCBVSJOZ-UHFFFAOYSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001047407967 768457413 /nfs/dbraw/zinc/45/74/13/768457413.db2.gz RBDDPUDAEDPLJN-IKGGRYGDSA-N 2 1 323.481 1.044 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407967 768457415 /nfs/dbraw/zinc/45/74/15/768457415.db2.gz RBDDPUDAEDPLJN-IKGGRYGDSA-N 2 1 323.481 1.044 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001047407967 768457417 /nfs/dbraw/zinc/45/74/17/768457417.db2.gz RBDDPUDAEDPLJN-IKGGRYGDSA-N 2 1 323.481 1.044 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132407517 768812211 /nfs/dbraw/zinc/81/22/11/768812211.db2.gz XREKRDRVHAWNLM-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549132 768975053 /nfs/dbraw/zinc/97/50/53/768975053.db2.gz NWHLUJCYIIOUNQ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001133834518 770321277 /nfs/dbraw/zinc/32/12/77/770321277.db2.gz ZPAWXJSBANTZCU-ZDUSSCGKSA-N 2 1 318.396 1.387 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2C1 ZINC001049231227 770576497 /nfs/dbraw/zinc/57/64/97/770576497.db2.gz RCKOILGIAYFDNU-HDICACEKSA-N 2 1 313.445 1.938 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001049234418 770581437 /nfs/dbraw/zinc/58/14/37/770581437.db2.gz FHJUCIZMSLTOLN-CALCHBBNSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135678795 771646094 /nfs/dbraw/zinc/64/60/94/771646094.db2.gz ININAMLYDVEUCI-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627531 773237943 /nfs/dbraw/zinc/23/79/43/773237943.db2.gz YSLCWWHPNHBKOX-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627531 773237947 /nfs/dbraw/zinc/23/79/47/773237947.db2.gz YSLCWWHPNHBKOX-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627531 773237951 /nfs/dbraw/zinc/23/79/51/773237951.db2.gz YSLCWWHPNHBKOX-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091686298 773386980 /nfs/dbraw/zinc/38/69/80/773386980.db2.gz AFEKHXGZQMDLMA-NTDBWNAOSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091686298 773386988 /nfs/dbraw/zinc/38/69/88/773386988.db2.gz AFEKHXGZQMDLMA-NTDBWNAOSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001091686298 773386997 /nfs/dbraw/zinc/38/69/97/773386997.db2.gz AFEKHXGZQMDLMA-NTDBWNAOSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091975854 773910231 /nfs/dbraw/zinc/91/02/31/773910231.db2.gz YDZTUQKOSGHQIJ-AEFFLSMTSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092023328 773924272 /nfs/dbraw/zinc/92/42/72/773924272.db2.gz YYUDPTJLIBULTN-YCPHGPKFSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@]2(C)C1 ZINC001092023328 773924277 /nfs/dbraw/zinc/92/42/77/773924277.db2.gz YYUDPTJLIBULTN-YCPHGPKFSA-N 2 1 313.873 1.859 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001092690074 774233423 /nfs/dbraw/zinc/23/34/23/774233423.db2.gz ZTTACOMGOJJNGH-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001092690074 774233429 /nfs/dbraw/zinc/23/34/29/774233429.db2.gz ZTTACOMGOJJNGH-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001092690074 774233436 /nfs/dbraw/zinc/23/34/36/774233436.db2.gz ZTTACOMGOJJNGH-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC=C(C)C)C[C@H]1C ZINC001092690074 774233441 /nfs/dbraw/zinc/23/34/41/774233441.db2.gz ZTTACOMGOJJNGH-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093136935 774440452 /nfs/dbraw/zinc/44/04/52/774440452.db2.gz FSVPDYYNDZYMKY-HUUCEWRRSA-N 2 1 314.433 1.469 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001093136935 774440455 /nfs/dbraw/zinc/44/04/55/774440455.db2.gz FSVPDYYNDZYMKY-HUUCEWRRSA-N 2 1 314.433 1.469 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@H]21 ZINC001036749008 774470990 /nfs/dbraw/zinc/47/09/90/774470990.db2.gz PDQIHEMEAHTBJP-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001098844803 774692777 /nfs/dbraw/zinc/69/27/77/774692777.db2.gz JKSXMRWYMURYQP-HPFXQQBRSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098844803 774692780 /nfs/dbraw/zinc/69/27/80/774692780.db2.gz JKSXMRWYMURYQP-HPFXQQBRSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001098844803 774692783 /nfs/dbraw/zinc/69/27/83/774692783.db2.gz JKSXMRWYMURYQP-HPFXQQBRSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C2 ZINC001111463137 774738127 /nfs/dbraw/zinc/73/81/27/774738127.db2.gz AFAPQBDRBKMXJP-BDXSIMOUSA-N 2 1 311.429 1.644 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](c1ccccc1)N(C)C)C2 ZINC001111463137 774738130 /nfs/dbraw/zinc/73/81/30/774738130.db2.gz AFAPQBDRBKMXJP-BDXSIMOUSA-N 2 1 311.429 1.644 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001099223345 774907474 /nfs/dbraw/zinc/90/74/74/774907474.db2.gz OKGOJLXLKDCAOY-IJLUTSLNSA-N 2 1 305.344 1.246 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310386 774941814 /nfs/dbraw/zinc/94/18/14/774941814.db2.gz KQRIJSPMGGSBTB-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001099518963 775014853 /nfs/dbraw/zinc/01/48/53/775014853.db2.gz DAZGHMCWFXYNKT-NXOAAHMSSA-N 2 1 315.461 1.130 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034164 775598727 /nfs/dbraw/zinc/59/87/27/775598727.db2.gz OYLXXVZVKWWXRT-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](O)C1 ZINC001100034164 775598731 /nfs/dbraw/zinc/59/87/31/775598731.db2.gz OYLXXVZVKWWXRT-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001100406002 776109154 /nfs/dbraw/zinc/10/91/54/776109154.db2.gz WXIUSAWIOLHHNE-OFLPRAFFSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001100415265 776122502 /nfs/dbraw/zinc/12/25/02/776122502.db2.gz IBCMDFPWRWLQFY-AVEVHOPNSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C/C=C\Cl)C1 ZINC001100415265 776122503 /nfs/dbraw/zinc/12/25/03/776122503.db2.gz IBCMDFPWRWLQFY-AVEVHOPNSA-N 2 1 309.841 1.321 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001100756739 776504621 /nfs/dbraw/zinc/50/46/21/776504621.db2.gz LICDIKTYRKYIJC-UHFFFAOYSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001101547844 777237800 /nfs/dbraw/zinc/23/78/00/777237800.db2.gz RLXPHNUBOPXILH-UHFFFAOYSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001150297160 777375225 /nfs/dbraw/zinc/37/52/25/777375225.db2.gz ALRDREZCJCPZFP-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001095267994 777380481 /nfs/dbraw/zinc/38/04/81/777380481.db2.gz NAAXXRIRGZOLQQ-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001095267994 777380487 /nfs/dbraw/zinc/38/04/87/777380487.db2.gz NAAXXRIRGZOLQQ-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095267994 777380493 /nfs/dbraw/zinc/38/04/93/777380493.db2.gz NAAXXRIRGZOLQQ-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)CCO1)C2 ZINC001095267994 777380498 /nfs/dbraw/zinc/38/04/98/777380498.db2.gz NAAXXRIRGZOLQQ-FXUDXRNXSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370396 778100820 /nfs/dbraw/zinc/10/08/20/778100820.db2.gz ZGPMHAMKHAGJHQ-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370396 778100827 /nfs/dbraw/zinc/10/08/27/778100827.db2.gz ZGPMHAMKHAGJHQ-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102370396 778100831 /nfs/dbraw/zinc/10/08/31/778100831.db2.gz ZGPMHAMKHAGJHQ-GVDBMIGSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468998 778156506 /nfs/dbraw/zinc/15/65/06/778156506.db2.gz KLZDIGRGNQXIDJ-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102468998 778156509 /nfs/dbraw/zinc/15/65/09/778156509.db2.gz KLZDIGRGNQXIDJ-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472119 778158100 /nfs/dbraw/zinc/15/81/00/778158100.db2.gz IUMDLLNWMBMXAW-ZACQAIPSSA-N 2 1 307.482 1.670 20 30 DDEDMP C=CCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281159 778232460 /nfs/dbraw/zinc/23/24/60/778232460.db2.gz CYMSSBZQBFDSPM-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178890659 779212254 /nfs/dbraw/zinc/21/22/54/779212254.db2.gz JPSGNOURPRUITI-ULQDDVLXSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111498153 779382766 /nfs/dbraw/zinc/38/27/66/779382766.db2.gz DRKKSKVDUANXLZ-KURKYZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001112423690 779773195 /nfs/dbraw/zinc/77/31/95/779773195.db2.gz DPRUDNOSFULRNT-HPFXQQBRSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001112423690 779773198 /nfs/dbraw/zinc/77/31/98/779773198.db2.gz DPRUDNOSFULRNT-HPFXQQBRSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001115300530 780017059 /nfs/dbraw/zinc/01/70/59/780017059.db2.gz TZPNSPJKOXPJHY-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001115300530 780017066 /nfs/dbraw/zinc/01/70/66/780017066.db2.gz TZPNSPJKOXPJHY-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1CC ZINC001115300530 780017074 /nfs/dbraw/zinc/01/70/74/780017074.db2.gz TZPNSPJKOXPJHY-TWMKSMIVSA-N 2 1 321.465 1.110 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC1([NH2+]CC#CCOC)CCCCC1 ZINC001120045975 781737873 /nfs/dbraw/zinc/73/78/73/781737873.db2.gz KZXLCUDTZQGIAC-UHFFFAOYSA-N 2 1 323.481 1.387 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCCN(C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001267195730 837515018 /nfs/dbraw/zinc/51/50/18/837515018.db2.gz LRWWGRZMSJJOEF-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)CC[N@@H+]1C ZINC001267195730 837515022 /nfs/dbraw/zinc/51/50/22/837515022.db2.gz LRWWGRZMSJJOEF-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CC#Cc2ccccc2)CC[N@H+]1C ZINC001267195730 837515027 /nfs/dbraw/zinc/51/50/27/837515027.db2.gz LRWWGRZMSJJOEF-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001267195730 837515034 /nfs/dbraw/zinc/51/50/34/837515034.db2.gz LRWWGRZMSJJOEF-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CC#Cc2ccccc2)CC[NH+]1C ZINC001267195730 837515037 /nfs/dbraw/zinc/51/50/37/837515037.db2.gz LRWWGRZMSJJOEF-SJLPKXTDSA-N 2 1 313.445 1.426 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001266550962 836455401 /nfs/dbraw/zinc/45/54/01/836455401.db2.gz IGTQXCSSPVMPDJ-QGZVFWFLSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)ns1 ZINC001266728551 836738612 /nfs/dbraw/zinc/73/86/12/836738612.db2.gz BGKKYNJMWKTDGK-HNNXBMFYSA-N 2 1 320.462 1.097 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cc(C)ns1 ZINC001266728551 836738622 /nfs/dbraw/zinc/73/86/22/836738622.db2.gz BGKKYNJMWKTDGK-HNNXBMFYSA-N 2 1 320.462 1.097 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266896434 837019742 /nfs/dbraw/zinc/01/97/42/837019742.db2.gz ATNBAFRKXKYBOY-GOEBONIOSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001266896434 837019756 /nfs/dbraw/zinc/01/97/56/837019756.db2.gz ATNBAFRKXKYBOY-GOEBONIOSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267494372 838176847 /nfs/dbraw/zinc/17/68/47/838176847.db2.gz SNCOJUPBODCNDO-WBVHZDCISA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCCN2CCOCC2)C1 ZINC001267731414 838772684 /nfs/dbraw/zinc/77/26/84/838772684.db2.gz BSIPKHGOTIFTLQ-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267731414 838772694 /nfs/dbraw/zinc/77/26/94/838772694.db2.gz BSIPKHGOTIFTLQ-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267731414 838772702 /nfs/dbraw/zinc/77/27/02/838772702.db2.gz BSIPKHGOTIFTLQ-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001268157412 839768613 /nfs/dbraw/zinc/76/86/13/839768613.db2.gz YQHAHLIPFAFKKR-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001326666443 861524899 /nfs/dbraw/zinc/52/48/99/861524899.db2.gz DNPQSOHUKMBGBE-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001326666443 861524907 /nfs/dbraw/zinc/52/49/07/861524907.db2.gz DNPQSOHUKMBGBE-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001326666443 861524916 /nfs/dbraw/zinc/52/49/16/861524916.db2.gz DNPQSOHUKMBGBE-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001326666443 861524926 /nfs/dbraw/zinc/52/49/26/861524926.db2.gz DNPQSOHUKMBGBE-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807626 847457870 /nfs/dbraw/zinc/45/78/70/847457870.db2.gz CTYATXHLYUNDPQ-SFHVURJKSA-N 2 1 312.417 1.332 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807626 847457877 /nfs/dbraw/zinc/45/78/77/847457877.db2.gz CTYATXHLYUNDPQ-SFHVURJKSA-N 2 1 312.417 1.332 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC[NH+](C)CC1 ZINC001273038597 847824955 /nfs/dbraw/zinc/82/49/55/847824955.db2.gz GHPAYVCXKOBYNV-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001034217503 848125431 /nfs/dbraw/zinc/12/54/31/848125431.db2.gz RZWSOTCDQDVJCY-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217503 848125432 /nfs/dbraw/zinc/12/54/32/848125432.db2.gz RZWSOTCDQDVJCY-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001034217503 848125433 /nfs/dbraw/zinc/12/54/33/848125433.db2.gz RZWSOTCDQDVJCY-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149861029 861948400 /nfs/dbraw/zinc/94/84/00/861948400.db2.gz LUZXIINFWKEBBD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149861029 861948408 /nfs/dbraw/zinc/94/84/08/861948408.db2.gz LUZXIINFWKEBBD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149861029 861948414 /nfs/dbraw/zinc/94/84/14/861948414.db2.gz LUZXIINFWKEBBD-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CCO1 ZINC001273322307 849509385 /nfs/dbraw/zinc/50/93/85/849509385.db2.gz DWQYMTMLZYHOOR-OAHLLOKOSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001327327229 862063319 /nfs/dbraw/zinc/06/33/19/862063319.db2.gz VDEXOOJSEFKYSN-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001327327229 862063328 /nfs/dbraw/zinc/06/33/28/862063328.db2.gz VDEXOOJSEFKYSN-UHFFFAOYSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001150333906 862185113 /nfs/dbraw/zinc/18/51/13/862185113.db2.gz QVXQABLNTLWXCF-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150333906 862185123 /nfs/dbraw/zinc/18/51/23/862185123.db2.gz QVXQABLNTLWXCF-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001150333906 862185128 /nfs/dbraw/zinc/18/51/28/862185128.db2.gz QVXQABLNTLWXCF-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCCCC#N ZINC001274043158 851883381 /nfs/dbraw/zinc/88/33/81/851883381.db2.gz MLFNVNWUUBPCOY-QGZVFWFLSA-N 2 1 306.454 1.699 20 30 DDEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001275851372 853871122 /nfs/dbraw/zinc/87/11/22/853871122.db2.gz VXJPVNTZSYGIMU-DOTOQJQBSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001275851372 853871127 /nfs/dbraw/zinc/87/11/27/853871127.db2.gz VXJPVNTZSYGIMU-DOTOQJQBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001327996540 862621675 /nfs/dbraw/zinc/62/16/75/862621675.db2.gz VHOWLBHAIRZWQH-HNNXBMFYSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCF)CC1 ZINC001327996540 862621681 /nfs/dbraw/zinc/62/16/81/862621681.db2.gz VHOWLBHAIRZWQH-HNNXBMFYSA-N 2 1 309.429 1.414 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593866 857032686 /nfs/dbraw/zinc/03/26/86/857032686.db2.gz ICAYPQHZTXPMRS-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049593866 857032693 /nfs/dbraw/zinc/03/26/93/857032693.db2.gz ICAYPQHZTXPMRS-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)C1 ZINC001072882742 857839653 /nfs/dbraw/zinc/83/96/53/857839653.db2.gz NBDPWZBGYQNNQM-UHFFFAOYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882742 857839655 /nfs/dbraw/zinc/83/96/55/857839655.db2.gz NBDPWZBGYQNNQM-UHFFFAOYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001072882742 857839662 /nfs/dbraw/zinc/83/96/62/857839662.db2.gz NBDPWZBGYQNNQM-UHFFFAOYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907356 857871380 /nfs/dbraw/zinc/87/13/80/857871380.db2.gz FWVFQGQLKYQXBT-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907356 857871381 /nfs/dbraw/zinc/87/13/81/857871381.db2.gz FWVFQGQLKYQXBT-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907356 857871384 /nfs/dbraw/zinc/87/13/84/857871384.db2.gz FWVFQGQLKYQXBT-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001329936749 863956400 /nfs/dbraw/zinc/95/64/00/863956400.db2.gz MJJQTPNMIUKYPV-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001329936749 863956410 /nfs/dbraw/zinc/95/64/10/863956410.db2.gz MJJQTPNMIUKYPV-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001330230994 864177703 /nfs/dbraw/zinc/17/77/03/864177703.db2.gz UUWOBMWBRJHJNW-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001330241684 864181854 /nfs/dbraw/zinc/18/18/54/864181854.db2.gz JDOUSCSYFZBZCH-INIZCTEOSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001331058667 864813544 /nfs/dbraw/zinc/81/35/44/864813544.db2.gz FENMDSDWCPAJAP-UHFFFAOYSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001331058667 864813558 /nfs/dbraw/zinc/81/35/58/864813558.db2.gz FENMDSDWCPAJAP-UHFFFAOYSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159877699 865576620 /nfs/dbraw/zinc/57/66/20/865576620.db2.gz SDJRSIRUBNAWNR-HOTGVXAUSA-N 2 1 321.469 1.264 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001159907898 865588832 /nfs/dbraw/zinc/58/88/32/865588832.db2.gz FDLWSHKDEPORLQ-INIZCTEOSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001160400006 865815440 /nfs/dbraw/zinc/81/54/40/865815440.db2.gz JENJXYRLUIJPLP-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400006 865815449 /nfs/dbraw/zinc/81/54/49/865815449.db2.gz JENJXYRLUIJPLP-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001160400006 865815463 /nfs/dbraw/zinc/81/54/63/865815463.db2.gz JENJXYRLUIJPLP-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)CC1(C)C ZINC001332426471 865834083 /nfs/dbraw/zinc/83/40/83/865834083.db2.gz DMOOLWZLLZPEHZ-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319820755 866314961 /nfs/dbraw/zinc/31/49/61/866314961.db2.gz OYYBKVPMJWHORE-JKSUJKDBSA-N 2 1 307.482 1.814 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1cccc(C#N)c1 ZINC001161245299 866465216 /nfs/dbraw/zinc/46/52/16/866465216.db2.gz KKAZDVUAQKCPMA-UHFFFAOYSA-N 2 1 316.449 1.884 20 30 DDEDMP Cc1ccc(CC#N)c(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)[nH+]1 ZINC001161279852 866488917 /nfs/dbraw/zinc/48/89/17/866488917.db2.gz FSXXZZQNSCYTIC-SHTZXODSSA-N 2 1 300.406 1.931 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001324287412 867182887 /nfs/dbraw/zinc/18/28/87/867182887.db2.gz ZWKOJAFERNELAX-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001324757348 867504256 /nfs/dbraw/zinc/50/42/56/867504256.db2.gz IWHNSJYYORBLFP-QGZVFWFLSA-N 2 1 320.437 1.222 20 30 DDEDMP CC(NCc1cccc(C[NH3+])c1)=[NH+]c1ncnc2c1ncn2C ZINC001163465671 868472514 /nfs/dbraw/zinc/47/25/14/868472514.db2.gz FKTYDGUFGHTHPC-UHFFFAOYSA-N 2 1 309.377 1.853 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317038494 870149060 /nfs/dbraw/zinc/14/90/60/870149060.db2.gz KDFWRZVBVRPAOL-KSZLIROESA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317038494 870149065 /nfs/dbraw/zinc/14/90/65/870149065.db2.gz KDFWRZVBVRPAOL-KSZLIROESA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317038494 870149072 /nfs/dbraw/zinc/14/90/72/870149072.db2.gz KDFWRZVBVRPAOL-KSZLIROESA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001317050690 870167856 /nfs/dbraw/zinc/16/78/56/870167856.db2.gz WNCNYEUYJGYWOM-HDICACEKSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001317050690 870167860 /nfs/dbraw/zinc/16/78/60/870167860.db2.gz WNCNYEUYJGYWOM-HDICACEKSA-N 2 1 317.477 1.951 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001166708514 870180817 /nfs/dbraw/zinc/18/08/17/870180817.db2.gz RVGXJTIRXPXPAC-WFASDCNBSA-N 2 1 320.462 1.413 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317165725 870399172 /nfs/dbraw/zinc/39/91/72/870399172.db2.gz UNRVIYPENILIAH-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C#N)cc2)CCC1=O ZINC001203904729 870827265 /nfs/dbraw/zinc/82/72/65/870827265.db2.gz CHKRNIKQJITQSF-UHFFFAOYSA-N 2 1 300.406 1.154 20 30 DDEDMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C#N)cc2)CCC1=O ZINC001203904729 870827277 /nfs/dbraw/zinc/82/72/77/870827277.db2.gz CHKRNIKQJITQSF-UHFFFAOYSA-N 2 1 300.406 1.154 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC#CCOC)C1)[NH+](CC)CC ZINC001276432341 870861506 /nfs/dbraw/zinc/86/15/06/870861506.db2.gz LVJPHRGSAYMIOJ-RDJZCZTQSA-N 2 1 323.481 1.193 20 30 DDEDMP Cn1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c2cc(C#N)ccc21 ZINC001205248121 871458569 /nfs/dbraw/zinc/45/85/69/871458569.db2.gz MSJSMBYBGCVFEE-SFHVURJKSA-N 2 1 312.417 1.726 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001317787981 871502020 /nfs/dbraw/zinc/50/20/20/871502020.db2.gz HHUKRFCKNBGIBT-CVEARBPZSA-N 2 1 314.433 1.297 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001205483818 871578450 /nfs/dbraw/zinc/57/84/50/871578450.db2.gz SMSQPARFVLXMIQ-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206872519 872676967 /nfs/dbraw/zinc/67/69/67/872676967.db2.gz IFICZDQTTPRIDA-KRWDZBQOSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001346418858 873745224 /nfs/dbraw/zinc/74/52/24/873745224.db2.gz YZUVFRAIARBLRG-CALCHBBNSA-N 2 1 320.481 1.953 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208411668 874122280 /nfs/dbraw/zinc/12/22/80/874122280.db2.gz ZVDDMJJAOLBGQD-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208411668 874122283 /nfs/dbraw/zinc/12/22/83/874122283.db2.gz ZVDDMJJAOLBGQD-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001379261601 876698267 /nfs/dbraw/zinc/69/82/67/876698267.db2.gz DOBFWCIXLLVMLJ-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215410117 876703023 /nfs/dbraw/zinc/70/30/23/876703023.db2.gz NBSCPBNIHVPTAU-FRFSOERESA-N 2 1 316.449 1.767 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218966181 877836676 /nfs/dbraw/zinc/83/66/76/877836676.db2.gz XLZOBKPHRCJIHN-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218966181 877836683 /nfs/dbraw/zinc/83/66/83/877836683.db2.gz XLZOBKPHRCJIHN-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218966181 877836690 /nfs/dbraw/zinc/83/66/90/877836690.db2.gz XLZOBKPHRCJIHN-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C[C@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)Cn1ccnc1 ZINC001379810029 878082108 /nfs/dbraw/zinc/08/21/08/878082108.db2.gz SJTKJZWYCCJFDU-GFCCVEGCSA-N 2 1 317.418 1.453 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)Cn1ccnc1 ZINC001379810029 878082128 /nfs/dbraw/zinc/08/21/28/878082128.db2.gz SJTKJZWYCCJFDU-GFCCVEGCSA-N 2 1 317.418 1.453 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220826273 879291415 /nfs/dbraw/zinc/29/14/15/879291415.db2.gz VRKOSSQANDOVJC-OAGGEKHMSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826273 879291429 /nfs/dbraw/zinc/29/14/29/879291429.db2.gz VRKOSSQANDOVJC-OAGGEKHMSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220826273 879291442 /nfs/dbraw/zinc/29/14/42/879291442.db2.gz VRKOSSQANDOVJC-OAGGEKHMSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1F ZINC001220868185 879329566 /nfs/dbraw/zinc/32/95/66/879329566.db2.gz DPBKOTGLDUULPW-GOEBONIOSA-N 2 1 305.397 1.462 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCC[C@H]1C(F)(F)F ZINC001220868408 879332507 /nfs/dbraw/zinc/33/25/07/879332507.db2.gz IKOKSOCVESCAQU-XQQFMLRXSA-N 2 1 319.371 1.684 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222089499 880234947 /nfs/dbraw/zinc/23/49/47/880234947.db2.gz LNYQUWICNOHVLY-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cccnc1 ZINC001230925196 885051912 /nfs/dbraw/zinc/05/19/12/885051912.db2.gz YZJZBWTUXMSKAR-UHFFFAOYSA-N 2 1 316.449 1.672 20 30 DDEDMP Cn1c[nH+]cc1N1CCCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC001277765146 886802137 /nfs/dbraw/zinc/80/21/37/886802137.db2.gz ATWPTXMWFKMNSD-UHFFFAOYSA-N 2 1 324.432 1.733 20 30 DDEDMP C[NH+](C)CCN1CCO[C@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001277952238 888736944 /nfs/dbraw/zinc/73/69/44/888736944.db2.gz WJTZNVOGBHFIQK-KRWDZBQOSA-N 2 1 308.470 1.409 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH2+]C23CC(C(=O)N4CC(CC#N)C4)(C2)C3)C1 ZINC001278149139 889867650 /nfs/dbraw/zinc/86/76/50/889867650.db2.gz XSVRMAHDWCRIMV-NNGSBXSVSA-N 2 1 316.449 1.213 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001278511312 893781225 /nfs/dbraw/zinc/78/12/25/893781225.db2.gz TUJHPQGEHSVCQG-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001278511312 893781237 /nfs/dbraw/zinc/78/12/37/893781237.db2.gz TUJHPQGEHSVCQG-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001278511312 893781254 /nfs/dbraw/zinc/78/12/54/893781254.db2.gz TUJHPQGEHSVCQG-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(F)c(C#N)c1 ZINC001366521881 893850056 /nfs/dbraw/zinc/85/00/56/893850056.db2.gz VYKJLGQCHHBERZ-INIZCTEOSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001366521881 893850072 /nfs/dbraw/zinc/85/00/72/893850072.db2.gz VYKJLGQCHHBERZ-INIZCTEOSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC001366521881 893850091 /nfs/dbraw/zinc/85/00/91/893850091.db2.gz VYKJLGQCHHBERZ-INIZCTEOSA-N 2 1 318.396 1.340 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278519541 894049108 /nfs/dbraw/zinc/04/91/08/894049108.db2.gz RVMZCHIYCNNASY-QGZVFWFLSA-N 2 1 318.421 1.201 20 30 DDEDMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366874446 895189379 /nfs/dbraw/zinc/18/93/79/895189379.db2.gz RJEQNFMHLXPAPQ-QLFBSQMISA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001366874446 895189385 /nfs/dbraw/zinc/18/93/85/895189385.db2.gz RJEQNFMHLXPAPQ-QLFBSQMISA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001366874446 895189390 /nfs/dbraw/zinc/18/93/90/895189390.db2.gz RJEQNFMHLXPAPQ-QLFBSQMISA-N 2 1 313.873 1.859 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001253154124 895670585 /nfs/dbraw/zinc/67/05/85/895670585.db2.gz ZXEIRAIPLHKOLX-INIZCTEOSA-N 2 1 306.454 1.258 20 30 DDEDMP CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)s1 ZINC001367550724 897138550 /nfs/dbraw/zinc/13/85/50/897138550.db2.gz KAFGHNVVRBAGLI-ZDUSSCGKSA-N 2 1 320.462 1.462 20 30 DDEDMP CN(CC[N@H+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001367550724 897138554 /nfs/dbraw/zinc/13/85/54/897138554.db2.gz KAFGHNVVRBAGLI-ZDUSSCGKSA-N 2 1 320.462 1.462 20 30 DDEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001367550724 897138557 /nfs/dbraw/zinc/13/85/57/897138557.db2.gz KAFGHNVVRBAGLI-ZDUSSCGKSA-N 2 1 320.462 1.462 20 30 DDEDMP CN(CC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001367550724 897138561 /nfs/dbraw/zinc/13/85/61/897138561.db2.gz KAFGHNVVRBAGLI-ZDUSSCGKSA-N 2 1 320.462 1.462 20 30 DDEDMP CN(CC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367550724 897138566 /nfs/dbraw/zinc/13/85/66/897138566.db2.gz KAFGHNVVRBAGLI-ZDUSSCGKSA-N 2 1 320.462 1.462 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001368034786 898545683 /nfs/dbraw/zinc/54/56/83/898545683.db2.gz KCBXGXZQAGEAEZ-MRXNPFEDSA-N 2 1 312.417 1.248 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CC1 ZINC001263728593 900687602 /nfs/dbraw/zinc/68/76/02/900687602.db2.gz WTVHORLPCXRZET-INMHGKMJSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001264492642 901147446 /nfs/dbraw/zinc/14/74/46/901147446.db2.gz YEIPWJXQLGTAQJ-BBWFWOEESA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001264492642 901147455 /nfs/dbraw/zinc/14/74/55/901147455.db2.gz YEIPWJXQLGTAQJ-BBWFWOEESA-N 2 1 323.481 1.548 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001264744458 901328482 /nfs/dbraw/zinc/32/84/82/901328482.db2.gz ZCDKEBMVZZPIKT-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001264744458 901328487 /nfs/dbraw/zinc/32/84/87/901328487.db2.gz ZCDKEBMVZZPIKT-KRWDZBQOSA-N 2 1 321.465 1.045 20 30 DDEDMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C#N)cc1 ZINC001265068470 901515647 /nfs/dbraw/zinc/51/56/47/901515647.db2.gz LGTJGEBIQFLXIU-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001265068470 901515655 /nfs/dbraw/zinc/51/56/55/901515655.db2.gz LGTJGEBIQFLXIU-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)cc1 ZINC001265068470 901515663 /nfs/dbraw/zinc/51/56/63/901515663.db2.gz LGTJGEBIQFLXIU-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265223269 901734372 /nfs/dbraw/zinc/73/43/72/901734372.db2.gz TXQKVMVFIHUFIU-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265233697 901754975 /nfs/dbraw/zinc/75/49/75/901754975.db2.gz ZGDRPOQVGWWXTI-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001265704146 902318423 /nfs/dbraw/zinc/31/84/23/902318423.db2.gz ZHRGSNZTLSBXRW-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001265704146 902318430 /nfs/dbraw/zinc/31/84/30/902318430.db2.gz ZHRGSNZTLSBXRW-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265704146 902318447 /nfs/dbraw/zinc/31/84/47/902318447.db2.gz ZHRGSNZTLSBXRW-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC(F)(F)F ZINC001265786633 902408571 /nfs/dbraw/zinc/40/85/71/902408571.db2.gz RGPFDKYHWTUKNP-RYUDHWBXSA-N 2 1 305.344 1.131 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC(F)(F)F ZINC001265786633 902408576 /nfs/dbraw/zinc/40/85/76/902408576.db2.gz RGPFDKYHWTUKNP-RYUDHWBXSA-N 2 1 305.344 1.131 20 30 DDEDMP CC#CC[NH2+]CCc1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001266088308 902915467 /nfs/dbraw/zinc/91/54/67/902915467.db2.gz SSSDCWAGYJBJEY-UHFFFAOYSA-N 2 1 315.461 1.798 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001392601698 904581242 /nfs/dbraw/zinc/58/12/42/904581242.db2.gz DREJEHLYKJWJSE-LBPRGKRZSA-N 2 1 319.796 1.728 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC/C=C/CC)C1 ZINC001282014706 905407296 /nfs/dbraw/zinc/40/72/96/905407296.db2.gz GSSXDWAZULAZHM-DLZGQHTNSA-N 2 1 317.477 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC/C=C/CC)C1 ZINC001282014706 905407301 /nfs/dbraw/zinc/40/73/01/905407301.db2.gz GSSXDWAZULAZHM-DLZGQHTNSA-N 2 1 317.477 1.925 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001284502314 909098716 /nfs/dbraw/zinc/09/87/16/909098716.db2.gz NFPVYUHSLCYVOD-IAGOWNOFSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001284502314 909098731 /nfs/dbraw/zinc/09/87/31/909098731.db2.gz NFPVYUHSLCYVOD-IAGOWNOFSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001284502314 909098748 /nfs/dbraw/zinc/09/87/48/909098748.db2.gz NFPVYUHSLCYVOD-IAGOWNOFSA-N 2 1 323.481 1.331 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092806309 185342377 /nfs/dbraw/zinc/34/23/77/185342377.db2.gz AQSCOLZLIUHWBX-NVXWUHKLSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092806309 185342378 /nfs/dbraw/zinc/34/23/78/185342378.db2.gz AQSCOLZLIUHWBX-NVXWUHKLSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092806309 185342379 /nfs/dbraw/zinc/34/23/79/185342379.db2.gz AQSCOLZLIUHWBX-NVXWUHKLSA-N 2 1 318.465 1.697 20 30 DDEDMP CN(CCC#N)C(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092806309 185342380 /nfs/dbraw/zinc/34/23/80/185342380.db2.gz AQSCOLZLIUHWBX-NVXWUHKLSA-N 2 1 318.465 1.697 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)C1CCC(O)CC1)C1CCC(O)CC1 ZINC000342138246 529823297 /nfs/dbraw/zinc/82/32/97/529823297.db2.gz VMFVWSJZLCAORF-UHFFFAOYSA-N 2 1 308.466 1.460 20 30 DDEDMP COCCNC(=[NH2+])NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000066243796 352985425 /nfs/dbraw/zinc/98/54/25/352985425.db2.gz QFLUMXWIFFTMLX-MRXNPFEDSA-N 2 1 304.438 1.592 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000113513049 353977748 /nfs/dbraw/zinc/97/77/48/353977748.db2.gz KCJZURCKGAYAEL-SJORKVTESA-N 2 1 317.433 1.376 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC000113513049 353977752 /nfs/dbraw/zinc/97/77/52/353977752.db2.gz KCJZURCKGAYAEL-SJORKVTESA-N 2 1 317.433 1.376 20 30 DDEDMP Cc1[nH+]ccn1CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000320642252 354528253 /nfs/dbraw/zinc/52/82/53/354528253.db2.gz DWALVGPRAAEPMS-UHFFFAOYSA-N 2 1 318.402 1.127 20 30 DDEDMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000592185119 355528653 /nfs/dbraw/zinc/52/86/53/355528653.db2.gz SHRAADRBUFDRKF-DLBZAZTESA-N 2 1 314.433 1.740 20 30 DDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCc3ccc(C#N)cc3)CC2)C1 ZINC000595370492 356468019 /nfs/dbraw/zinc/46/80/19/356468019.db2.gz GYWZUMQLBCAMPH-IBGZPJMESA-N 2 1 312.461 1.813 20 30 DDEDMP N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000595895650 356694941 /nfs/dbraw/zinc/69/49/41/356694941.db2.gz RLPBELWBVSFIBK-KRWDZBQOSA-N 2 1 314.433 1.420 20 30 DDEDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000600729022 358298697 /nfs/dbraw/zinc/29/86/97/358298697.db2.gz CRJJKTIRYSTTAQ-SJORKVTESA-N 2 1 323.481 1.625 20 30 DDEDMP N#Cc1cnn2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cnc12 ZINC000567386803 304216971 /nfs/dbraw/zinc/21/69/71/304216971.db2.gz FXIRHCAUJGROPZ-UHFFFAOYSA-N 2 1 324.432 1.909 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000295039346 409308719 /nfs/dbraw/zinc/30/87/19/409308719.db2.gz PIGSOBRKWXWNAF-MRXNPFEDSA-N 2 1 324.432 1.584 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c1cnn2-c1ncccn1 ZINC000295039346 409308721 /nfs/dbraw/zinc/30/87/21/409308721.db2.gz PIGSOBRKWXWNAF-MRXNPFEDSA-N 2 1 324.432 1.584 20 30 DDEDMP C[C@H]1C[NH+]=C(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)N1 ZINC000284934237 409373110 /nfs/dbraw/zinc/37/31/10/409373110.db2.gz CTMUXGYYHAAZDV-DOTOQJQBSA-N 2 1 315.465 1.303 20 30 DDEDMP C[C@H]1C[NH+]=C(NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)N1 ZINC000284934237 409373113 /nfs/dbraw/zinc/37/31/13/409373113.db2.gz CTMUXGYYHAAZDV-DOTOQJQBSA-N 2 1 315.465 1.303 20 30 DDEDMP C[C@H]1C[NH+]=C(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)N1 ZINC000284934237 409373121 /nfs/dbraw/zinc/37/31/21/409373121.db2.gz CTMUXGYYHAAZDV-DOTOQJQBSA-N 2 1 315.465 1.303 20 30 DDEDMP CN1CC[NH+]=C1NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000284981204 409389338 /nfs/dbraw/zinc/38/93/38/409389338.db2.gz GSLTVVJMUICVCT-QGZVFWFLSA-N 2 1 315.465 1.256 20 30 DDEDMP CN1CC[NH+]=C1NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000284981204 409389343 /nfs/dbraw/zinc/38/93/43/409389343.db2.gz GSLTVVJMUICVCT-QGZVFWFLSA-N 2 1 315.465 1.256 20 30 DDEDMP CN1CC[NH+]=C1NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000284981204 409389347 /nfs/dbraw/zinc/38/93/47/409389347.db2.gz GSLTVVJMUICVCT-QGZVFWFLSA-N 2 1 315.465 1.256 20 30 DDEDMP CCc1ccc([C@H](O)CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000285184542 409402466 /nfs/dbraw/zinc/40/24/66/409402466.db2.gz UYKQNLLIXVPECF-IAGOWNOFSA-N 2 1 318.465 1.671 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1csc(COC)n1 ZINC000290625527 409466986 /nfs/dbraw/zinc/46/69/86/409466986.db2.gz KTQOVZCQJXEPHO-GFCCVEGCSA-N 2 1 311.455 1.178 20 30 DDEDMP N#Cc1cccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000332160666 409933633 /nfs/dbraw/zinc/93/36/33/409933633.db2.gz IZLJYUCUFOTUPE-UHFFFAOYSA-N 2 1 315.417 1.217 20 30 DDEDMP CN(C)C(=[NH+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)N(C)C ZINC000261989354 222268001 /nfs/dbraw/zinc/26/80/01/222268001.db2.gz LCCPCYQETWFBQB-UHFFFAOYSA-N 2 1 317.481 1.413 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N1CC[C@]2(CCOC2)C1 ZINC000262019223 222270566 /nfs/dbraw/zinc/27/05/66/222270566.db2.gz YKYCXZDQDGWNNP-RDJZCZTQSA-N 2 1 308.470 1.549 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000262465316 222281774 /nfs/dbraw/zinc/28/17/74/222281774.db2.gz XJWIUWWZLULDMV-SPUZQDLCSA-N 2 1 312.461 1.961 20 30 DDEDMP C[C@H]1C[NH+]=C(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)N1 ZINC000262646009 222287941 /nfs/dbraw/zinc/28/79/41/222287941.db2.gz JBVYFMXNQUVSQH-KBPBESRZSA-N 2 1 302.422 1.345 20 30 DDEDMP C[C@H]1C[NH+]=C(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)N1 ZINC000262646009 222287944 /nfs/dbraw/zinc/28/79/44/222287944.db2.gz JBVYFMXNQUVSQH-KBPBESRZSA-N 2 1 302.422 1.345 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1F ZINC000264069276 222312810 /nfs/dbraw/zinc/31/28/10/222312810.db2.gz CTJFCAIDWZMIOY-SWLSCSKDSA-N 2 1 308.401 1.248 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NC1CC1 ZINC000264122863 222320727 /nfs/dbraw/zinc/32/07/27/222320727.db2.gz VKPUWAWDJLKCTQ-UHFFFAOYSA-N 2 1 315.465 1.261 20 30 DDEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1)C2 ZINC000368845775 418726134 /nfs/dbraw/zinc/72/61/34/418726134.db2.gz NSMWUNJRPXGMOK-CJNGLKHVSA-N 2 1 323.400 1.995 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000491815170 421204060 /nfs/dbraw/zinc/20/40/60/421204060.db2.gz OPSUYPPGQKNNDW-UHFFFAOYSA-N 2 1 308.470 1.363 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516781284 421567789 /nfs/dbraw/zinc/56/77/89/421567789.db2.gz GUMCNNHAZRLEBS-AWEZNQCLSA-N 2 1 303.410 1.121 20 30 DDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000573914248 422034841 /nfs/dbraw/zinc/03/48/41/422034841.db2.gz WTWVOXVFKQKYBT-INIZCTEOSA-N 2 1 314.389 1.287 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C#N)nc(C2CC2)n1 ZINC000601192419 422421854 /nfs/dbraw/zinc/42/18/54/422421854.db2.gz VWOSAUXZJNBLID-ZDUSSCGKSA-N 2 1 316.453 1.910 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C#N)nc(C2CC2)n1 ZINC000601192419 422421858 /nfs/dbraw/zinc/42/18/58/422421858.db2.gz VWOSAUXZJNBLID-ZDUSSCGKSA-N 2 1 316.453 1.910 20 30 DDEDMP C=CCC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720968 422588135 /nfs/dbraw/zinc/58/81/35/422588135.db2.gz RGMYPEOIDNKFNY-ZWKOTPCHSA-N 2 1 304.434 1.540 20 30 DDEDMP C=CCC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720968 422588138 /nfs/dbraw/zinc/58/81/38/422588138.db2.gz RGMYPEOIDNKFNY-ZWKOTPCHSA-N 2 1 304.434 1.540 20 30 DDEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662080646 424377501 /nfs/dbraw/zinc/37/75/01/424377501.db2.gz PGQUIOWITQQTLB-CALCHBBNSA-N 2 1 303.450 1.912 20 30 DDEDMP N#Cc1csc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000344272977 268320003 /nfs/dbraw/zinc/32/00/03/268320003.db2.gz JVKBZJSBSSDHCA-ZDUSSCGKSA-N 2 1 306.435 1.297 20 30 DDEDMP N#Cc1csc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000344272977 268320004 /nfs/dbraw/zinc/32/00/04/268320004.db2.gz JVKBZJSBSSDHCA-ZDUSSCGKSA-N 2 1 306.435 1.297 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000342179931 277291938 /nfs/dbraw/zinc/29/19/38/277291938.db2.gz YIYHVWMQXQLNFK-TVFCKZIOSA-N 2 1 308.466 1.988 20 30 DDEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000342179931 277291939 /nfs/dbraw/zinc/29/19/39/277291939.db2.gz YIYHVWMQXQLNFK-TVFCKZIOSA-N 2 1 308.466 1.988 20 30 DDEDMP CO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000342179931 277291941 /nfs/dbraw/zinc/29/19/41/277291941.db2.gz YIYHVWMQXQLNFK-TVFCKZIOSA-N 2 1 308.466 1.988 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000458346186 526434348 /nfs/dbraw/zinc/43/43/48/526434348.db2.gz WLYSKGHAXIFONV-HNNXBMFYSA-N 2 1 308.470 1.668 20 30 DDEDMP C=CCN1CC[C@H]([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1=O ZINC000337481945 526499737 /nfs/dbraw/zinc/49/97/37/526499737.db2.gz WINTVSIFUBDCFO-KRWDZBQOSA-N 2 1 322.497 1.121 20 30 DDEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1=O ZINC000337211225 526514165 /nfs/dbraw/zinc/51/41/65/526514165.db2.gz URHZZTSCTUHZFL-BBWFWOEESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1=O ZINC000337211225 526514169 /nfs/dbraw/zinc/51/41/69/526514169.db2.gz URHZZTSCTUHZFL-BBWFWOEESA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980236332 696715472 /nfs/dbraw/zinc/71/54/72/696715472.db2.gz DFTYUGHVHTWHAS-YESZJQIVSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000972340884 695221558 /nfs/dbraw/zinc/22/15/58/695221558.db2.gz VIARLPUCGJTDHT-AWEZNQCLSA-N 2 1 318.421 1.603 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000972340884 695221561 /nfs/dbraw/zinc/22/15/61/695221561.db2.gz VIARLPUCGJTDHT-AWEZNQCLSA-N 2 1 318.421 1.603 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000972474820 695259328 /nfs/dbraw/zinc/25/93/28/695259328.db2.gz GBCOZMJQZKWGSR-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000972474820 695259331 /nfs/dbraw/zinc/25/93/31/695259331.db2.gz GBCOZMJQZKWGSR-OAHLLOKOSA-N 2 1 302.422 1.563 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977500256 696190438 /nfs/dbraw/zinc/19/04/38/696190438.db2.gz PXXHCBBXKSNBJX-MRXNPFEDSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977500256 696190440 /nfs/dbraw/zinc/19/04/40/696190440.db2.gz PXXHCBBXKSNBJX-MRXNPFEDSA-N 2 1 314.433 1.611 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978224610 696345461 /nfs/dbraw/zinc/34/54/61/696345461.db2.gz ADFMFISKNZOSKK-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978224610 696345463 /nfs/dbraw/zinc/34/54/63/696345463.db2.gz ADFMFISKNZOSKK-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978224610 696345466 /nfs/dbraw/zinc/34/54/66/696345466.db2.gz ADFMFISKNZOSKK-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978263445 696354039 /nfs/dbraw/zinc/35/40/39/696354039.db2.gz CQZHDIREQZYFLN-XQLPTFJDSA-N 2 1 300.406 1.241 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978263445 696354042 /nfs/dbraw/zinc/35/40/42/696354042.db2.gz CQZHDIREQZYFLN-XQLPTFJDSA-N 2 1 300.406 1.241 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC000978475091 696388598 /nfs/dbraw/zinc/38/85/98/696388598.db2.gz ZJXXJEHZUGRRBC-OSYLJGHBSA-N 2 1 308.385 1.265 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980154155 696695142 /nfs/dbraw/zinc/69/51/42/696695142.db2.gz ZKGIDDFSXQAJGF-XHSDSOJGSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980154155 696695143 /nfs/dbraw/zinc/69/51/43/696695143.db2.gz ZKGIDDFSXQAJGF-XHSDSOJGSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980173052 696699579 /nfs/dbraw/zinc/69/95/79/696699579.db2.gz DRBYWDXWNKBJOQ-ULQDDVLXSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)C)C2)CC1 ZINC000980478760 696782960 /nfs/dbraw/zinc/78/29/60/696782960.db2.gz PHSANTDSEMODJR-QGZVFWFLSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000980486100 696784558 /nfs/dbraw/zinc/78/45/58/696784558.db2.gz QHEBHPCSINHMBW-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)C2)C1 ZINC000981842325 696939898 /nfs/dbraw/zinc/93/98/98/696939898.db2.gz YUZUVXAWWGKGAJ-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842325 696939899 /nfs/dbraw/zinc/93/98/99/696939899.db2.gz YUZUVXAWWGKGAJ-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC000981842325 696939900 /nfs/dbraw/zinc/93/99/00/696939900.db2.gz YUZUVXAWWGKGAJ-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982012428 697002686 /nfs/dbraw/zinc/00/26/86/697002686.db2.gz WXHRPORGXWFZSY-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012428 697002689 /nfs/dbraw/zinc/00/26/89/697002689.db2.gz WXHRPORGXWFZSY-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012428 697002692 /nfs/dbraw/zinc/00/26/92/697002692.db2.gz WXHRPORGXWFZSY-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162637 697046068 /nfs/dbraw/zinc/04/60/68/697046068.db2.gz XFLNIRVAZLEIFP-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162637 697046070 /nfs/dbraw/zinc/04/60/70/697046070.db2.gz XFLNIRVAZLEIFP-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000982162637 697046071 /nfs/dbraw/zinc/04/60/71/697046071.db2.gz XFLNIRVAZLEIFP-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331032 697068088 /nfs/dbraw/zinc/06/80/88/697068088.db2.gz HVOBFANYUPREFN-HNNXBMFYSA-N 2 1 302.422 1.871 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331032 697068090 /nfs/dbraw/zinc/06/80/90/697068090.db2.gz HVOBFANYUPREFN-HNNXBMFYSA-N 2 1 302.422 1.871 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000981447075 697099859 /nfs/dbraw/zinc/09/98/59/697099859.db2.gz QSXDGCGUSRRIFM-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC000986455523 697817500 /nfs/dbraw/zinc/81/75/00/697817500.db2.gz KXECRTCGSKJQBR-JSGCOSHPSA-N 2 1 306.410 1.505 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC000987263540 698064484 /nfs/dbraw/zinc/06/44/84/698064484.db2.gz APBGOJSPVOBHFJ-XJKSGUPXSA-N 2 1 311.389 1.646 20 30 DDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000303892841 698609878 /nfs/dbraw/zinc/60/98/78/698609878.db2.gz RNLSGOXNOUPYCG-OAHLLOKOSA-N 2 1 309.502 1.497 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(SC)CCOCC1 ZINC000304776874 698624940 /nfs/dbraw/zinc/62/49/40/698624940.db2.gz DIRRPLGADQWSKZ-CYBMUJFWSA-N 2 1 314.499 1.287 20 30 DDEDMP CC(C)CSCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305302278 698644647 /nfs/dbraw/zinc/64/46/47/698644647.db2.gz NWOXYGXMXASMNW-UHFFFAOYSA-N 2 1 316.515 1.392 20 30 DDEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NCC1CCC1 ZINC000305827819 698658217 /nfs/dbraw/zinc/65/82/17/698658217.db2.gz RUIUGTCZJBTKAU-KRWDZBQOSA-N 2 1 316.449 1.458 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC[C@@H](C)F)CC2)CC1 ZINC000989734906 698745123 /nfs/dbraw/zinc/74/51/23/698745123.db2.gz JWJOCEWWXGAJLA-MRXNPFEDSA-N 2 1 323.456 1.614 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991859647 699425458 /nfs/dbraw/zinc/42/54/58/699425458.db2.gz JKOIQCZAFGXSSY-WBVHZDCISA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991859647 699425459 /nfs/dbraw/zinc/42/54/59/699425459.db2.gz JKOIQCZAFGXSSY-WBVHZDCISA-N 2 1 302.422 1.881 20 30 DDEDMP Cc1[nH+]ccn1CCCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000727863649 699428918 /nfs/dbraw/zinc/42/89/18/699428918.db2.gz PBNSBHYNJRIMDP-UHFFFAOYSA-N 2 1 305.426 1.666 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000801916107 700352904 /nfs/dbraw/zinc/35/29/04/700352904.db2.gz RNJJAVBNQLOXBC-BRWVUGGUSA-N 2 1 308.470 1.405 20 30 DDEDMP C#CC[N@@H+](C)CCCNc1ncnc2c1cnn2C(C)(C)C ZINC000814929223 701772749 /nfs/dbraw/zinc/77/27/49/701772749.db2.gz GBINCYXMUXZZOW-UHFFFAOYSA-N 2 1 300.410 1.948 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000841909752 702614994 /nfs/dbraw/zinc/61/49/94/702614994.db2.gz HOBXEGMZQWSWEK-UHFFFAOYSA-N 2 1 300.406 1.044 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000818584739 703931417 /nfs/dbraw/zinc/93/14/17/703931417.db2.gz WPVDIOPJTUNEIY-UHFFFAOYSA-N 2 1 305.422 1.806 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000870908004 704163171 /nfs/dbraw/zinc/16/31/71/704163171.db2.gz CVELEJDPOCCNAT-KRWDZBQOSA-N 2 1 301.434 1.803 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000852928121 704174476 /nfs/dbraw/zinc/17/44/76/704174476.db2.gz VCQZKBIMVQAXNK-KRWDZBQOSA-N 2 1 303.450 1.228 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC[N@H+]1C ZINC000876764238 705865106 /nfs/dbraw/zinc/86/51/06/705865106.db2.gz MBPNQVQAOYUBDZ-VMGRFDJRSA-N 2 1 312.417 1.344 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000876768089 705866949 /nfs/dbraw/zinc/86/69/49/705866949.db2.gz DICAUMAVJPWGOD-ZDUSSCGKSA-N 2 1 303.834 1.026 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000884075172 708127854 /nfs/dbraw/zinc/12/78/54/708127854.db2.gz OJBLBXNBZMBHHZ-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000884075172 708127857 /nfs/dbraw/zinc/12/78/57/708127857.db2.gz OJBLBXNBZMBHHZ-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000884075172 708127858 /nfs/dbraw/zinc/12/78/58/708127858.db2.gz OJBLBXNBZMBHHZ-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000884075172 708127861 /nfs/dbraw/zinc/12/78/61/708127861.db2.gz OJBLBXNBZMBHHZ-HZPDHXFCSA-N 2 1 306.454 1.258 20 30 DDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ncoc1C[NH3+])C(C)C ZINC000884191662 708180635 /nfs/dbraw/zinc/18/06/35/708180635.db2.gz JUATWARWFVMUGW-ZDUSSCGKSA-N 2 1 306.410 1.562 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000884200341 708185699 /nfs/dbraw/zinc/18/56/99/708185699.db2.gz ZODHEABXFYNFNS-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000884200341 708185702 /nfs/dbraw/zinc/18/57/02/708185702.db2.gz ZODHEABXFYNFNS-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000884454091 708303065 /nfs/dbraw/zinc/30/30/65/708303065.db2.gz FPIGQLMPBBHSEV-ULQDDVLXSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000884454091 708303068 /nfs/dbraw/zinc/30/30/68/708303068.db2.gz FPIGQLMPBBHSEV-ULQDDVLXSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000884454091 708303071 /nfs/dbraw/zinc/30/30/71/708303071.db2.gz FPIGQLMPBBHSEV-ULQDDVLXSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000884454091 708303075 /nfs/dbraw/zinc/30/30/75/708303075.db2.gz FPIGQLMPBBHSEV-ULQDDVLXSA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000884457296 708304585 /nfs/dbraw/zinc/30/45/85/708304585.db2.gz YSTDRLCELUZSTQ-HUUCEWRRSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000884457296 708304588 /nfs/dbraw/zinc/30/45/88/708304588.db2.gz YSTDRLCELUZSTQ-HUUCEWRRSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000884457296 708304592 /nfs/dbraw/zinc/30/45/92/708304592.db2.gz YSTDRLCELUZSTQ-HUUCEWRRSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000884457296 708304596 /nfs/dbraw/zinc/30/45/96/708304596.db2.gz YSTDRLCELUZSTQ-HUUCEWRRSA-N 2 1 306.454 1.256 20 30 DDEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)CC1(C#N)CCC1)CCO2 ZINC000886266037 708732569 /nfs/dbraw/zinc/73/25/69/708732569.db2.gz XYJLVMHPFQQBSX-OAHLLOKOSA-N 2 1 307.438 1.228 20 30 DDEDMP C#CC[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000886364016 708749891 /nfs/dbraw/zinc/74/98/91/708749891.db2.gz MDORCLCYCVBYNO-WMZOPIPTSA-N 2 1 313.445 1.751 20 30 DDEDMP N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903508460 711158620 /nfs/dbraw/zinc/15/86/20/711158620.db2.gz HPUJPSLKLHFFIJ-KDURUIRLSA-N 2 1 310.445 1.959 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000913519319 713244057 /nfs/dbraw/zinc/24/40/57/713244057.db2.gz VXAKPSYYTZAFHQ-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904469179 711861046 /nfs/dbraw/zinc/86/10/46/711861046.db2.gz JFDIIEMGCZOWSI-GFCCVEGCSA-N 2 1 306.435 1.249 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000963789497 717907260 /nfs/dbraw/zinc/90/72/60/717907260.db2.gz ZZUZWUNSAFALCI-HVEGKCCWSA-N 2 1 303.450 1.509 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000921382840 713750255 /nfs/dbraw/zinc/75/02/55/713750255.db2.gz KRXUIVPKPHUROO-ZFWWWQNUSA-N 2 1 304.438 1.008 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000923414790 714348481 /nfs/dbraw/zinc/34/84/81/714348481.db2.gz PBOAQPUAUBHNIS-JFIYKMOQSA-N 2 1 315.417 1.372 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000957602854 715966392 /nfs/dbraw/zinc/96/63/92/715966392.db2.gz IVQTVHRPZNQYAF-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000960325343 716491435 /nfs/dbraw/zinc/49/14/35/716491435.db2.gz XSAWPQYYQOUSCU-POZUXBRTSA-N 2 1 313.445 1.886 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC1 ZINC000960674952 716653427 /nfs/dbraw/zinc/65/34/27/716653427.db2.gz DZOLYENGBVWZSY-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC000960674952 716653428 /nfs/dbraw/zinc/65/34/28/716653428.db2.gz DZOLYENGBVWZSY-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC1 ZINC000960674952 716653433 /nfs/dbraw/zinc/65/34/33/716653433.db2.gz DZOLYENGBVWZSY-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC1 ZINC000960674952 716653435 /nfs/dbraw/zinc/65/34/35/716653435.db2.gz DZOLYENGBVWZSY-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223937 717133319 /nfs/dbraw/zinc/13/33/19/717133319.db2.gz OFCNBIWFHZVEFN-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223937 717133322 /nfs/dbraw/zinc/13/33/22/717133322.db2.gz OFCNBIWFHZVEFN-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC000942517750 717714036 /nfs/dbraw/zinc/71/40/36/717714036.db2.gz FUKUBNJUYSZYSM-PBHICJAKSA-N 2 1 310.401 1.798 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000963625011 717855002 /nfs/dbraw/zinc/85/50/02/717855002.db2.gz OUJASWRTURJZPW-JNJRBNHSSA-N 2 1 311.857 1.850 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000943755946 718184443 /nfs/dbraw/zinc/18/44/43/718184443.db2.gz JLNBMLGRQLGIKG-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964565 718370720 /nfs/dbraw/zinc/37/07/20/718370720.db2.gz JQAADZDTUHJNPA-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC000944964565 718370721 /nfs/dbraw/zinc/37/07/21/718370721.db2.gz JQAADZDTUHJNPA-HOCLYGCPSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC[C@@H]2C1 ZINC000946614612 718852965 /nfs/dbraw/zinc/85/29/65/718852965.db2.gz FMJVVZOONKPCLC-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946614612 718852970 /nfs/dbraw/zinc/85/29/70/718852970.db2.gz FMJVVZOONKPCLC-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)CC[C@@H]2C1 ZINC000946614612 718852977 /nfs/dbraw/zinc/85/29/77/718852977.db2.gz FMJVVZOONKPCLC-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946624038 718856643 /nfs/dbraw/zinc/85/66/43/718856643.db2.gz ZNXAOFUFQAKOPI-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946624038 718856649 /nfs/dbraw/zinc/85/66/49/718856649.db2.gz ZNXAOFUFQAKOPI-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC[C@@H]2C1 ZINC000946624038 718856654 /nfs/dbraw/zinc/85/66/54/718856654.db2.gz ZNXAOFUFQAKOPI-CALCHBBNSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946893016 718937658 /nfs/dbraw/zinc/93/76/58/718937658.db2.gz WPRNDGCKUFSSGY-IXDOHACOSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946893016 718937662 /nfs/dbraw/zinc/93/76/62/718937662.db2.gz WPRNDGCKUFSSGY-IXDOHACOSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC[C@@H]2C1 ZINC000946893016 718937667 /nfs/dbraw/zinc/93/76/67/718937667.db2.gz WPRNDGCKUFSSGY-IXDOHACOSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC000947497573 719187708 /nfs/dbraw/zinc/18/77/08/719187708.db2.gz JPUVQQZQKLXMIE-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCC=C)[C@@H](C)C2)CC1 ZINC000948070265 719349296 /nfs/dbraw/zinc/34/92/96/719349296.db2.gz OIGGUCATRBDBKO-FUHWJXTLSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000948868754 719756236 /nfs/dbraw/zinc/75/62/36/719756236.db2.gz VXMNZICENCDDFV-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000968752320 719770592 /nfs/dbraw/zinc/77/05/92/719770592.db2.gz LHGZVJDQTWDBNH-IUODEOHRSA-N 2 1 303.410 1.167 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000968752320 719770599 /nfs/dbraw/zinc/77/05/99/719770599.db2.gz LHGZVJDQTWDBNH-IUODEOHRSA-N 2 1 303.410 1.167 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887728 719845075 /nfs/dbraw/zinc/84/50/75/719845075.db2.gz KTMMUSJFZUVBDK-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000968887728 719845083 /nfs/dbraw/zinc/84/50/83/719845083.db2.gz KTMMUSJFZUVBDK-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949470858 720109784 /nfs/dbraw/zinc/10/97/84/720109784.db2.gz MQFVXELSJWZLQX-CVEARBPZSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949470858 720109787 /nfs/dbraw/zinc/10/97/87/720109787.db2.gz MQFVXELSJWZLQX-CVEARBPZSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949470858 720109790 /nfs/dbraw/zinc/10/97/90/720109790.db2.gz MQFVXELSJWZLQX-CVEARBPZSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949470858 720109794 /nfs/dbraw/zinc/10/97/94/720109794.db2.gz MQFVXELSJWZLQX-CVEARBPZSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021718304 733482467 /nfs/dbraw/zinc/48/24/67/733482467.db2.gz WPMAXRBBANVPJT-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083213709 733533897 /nfs/dbraw/zinc/53/38/97/733533897.db2.gz NUPKSIYLFMMDGF-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001021896341 733650651 /nfs/dbraw/zinc/65/06/51/733650651.db2.gz YFEMJHXMYMZSLB-GRYCIOLGSA-N 2 1 316.243 1.226 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104355367 733708708 /nfs/dbraw/zinc/70/87/08/733708708.db2.gz ZEFKLRUELVHPKO-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561960 734648868 /nfs/dbraw/zinc/64/88/68/734648868.db2.gz QKQXQCWKUUUWFB-UHFFFAOYSA-N 2 1 320.437 1.053 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001098561960 734648870 /nfs/dbraw/zinc/64/88/70/734648870.db2.gz QKQXQCWKUUUWFB-UHFFFAOYSA-N 2 1 320.437 1.053 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213368574 734774088 /nfs/dbraw/zinc/77/40/88/734774088.db2.gz GAWARPXDLXLSIT-USXIJHARSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001024478610 735855935 /nfs/dbraw/zinc/85/59/35/735855935.db2.gz UCUCUBQWRRUKOM-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001024750593 736065511 /nfs/dbraw/zinc/06/55/11/736065511.db2.gz VLLIWIMYYMGZBY-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589084 736438579 /nfs/dbraw/zinc/43/85/79/736438579.db2.gz UQWOYOOIHMOLEG-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112005001 736451238 /nfs/dbraw/zinc/45/12/38/736451238.db2.gz RGSDAXISJHPFHD-WMZOPIPTSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148382 737145678 /nfs/dbraw/zinc/14/56/78/737145678.db2.gz DMAVGDSMRFONAV-FAHYXWLWSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148382 737145679 /nfs/dbraw/zinc/14/56/79/737145679.db2.gz DMAVGDSMRFONAV-FAHYXWLWSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001026376167 737444376 /nfs/dbraw/zinc/44/43/76/737444376.db2.gz GSBMGUDLOIDUEP-GVDBMIGSSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001027447131 738300230 /nfs/dbraw/zinc/30/02/30/738300230.db2.gz BHCZYQIYQMGBNA-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001027447131 738300232 /nfs/dbraw/zinc/30/02/32/738300232.db2.gz BHCZYQIYQMGBNA-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001027447131 738300237 /nfs/dbraw/zinc/30/02/37/738300237.db2.gz BHCZYQIYQMGBNA-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(C)C)C1 ZINC001027447131 738300241 /nfs/dbraw/zinc/30/02/41/738300241.db2.gz BHCZYQIYQMGBNA-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(C)C)C1 ZINC001027447131 738300243 /nfs/dbraw/zinc/30/02/43/738300243.db2.gz BHCZYQIYQMGBNA-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001027471429 738324506 /nfs/dbraw/zinc/32/45/06/738324506.db2.gz HGXZUKXWDWVVCF-AWEZNQCLSA-N 2 1 320.437 1.849 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001027471429 738324508 /nfs/dbraw/zinc/32/45/08/738324508.db2.gz HGXZUKXWDWVVCF-AWEZNQCLSA-N 2 1 320.437 1.849 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001028547495 739645797 /nfs/dbraw/zinc/64/57/97/739645797.db2.gz WJLXKFXOIHXAHW-OAHLLOKOSA-N 2 1 319.453 1.073 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001028603937 739781468 /nfs/dbraw/zinc/78/14/68/739781468.db2.gz MMJUBQVDZUMSGT-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001028603937 739781470 /nfs/dbraw/zinc/78/14/70/739781470.db2.gz MMJUBQVDZUMSGT-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001028603937 739781472 /nfs/dbraw/zinc/78/14/72/739781472.db2.gz MMJUBQVDZUMSGT-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(CC)CC)C1 ZINC001028603937 739781475 /nfs/dbraw/zinc/78/14/75/739781475.db2.gz MMJUBQVDZUMSGT-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244867 761883715 /nfs/dbraw/zinc/88/37/15/761883715.db2.gz ZHTJJZKNQPUTRR-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244867 761883724 /nfs/dbraw/zinc/88/37/24/761883724.db2.gz ZHTJJZKNQPUTRR-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001028640326 739832742 /nfs/dbraw/zinc/83/27/42/739832742.db2.gz MKEKSFWYBIGANE-CABCVRRESA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028640326 739832747 /nfs/dbraw/zinc/83/27/47/739832747.db2.gz MKEKSFWYBIGANE-CABCVRRESA-N 2 1 316.449 1.837 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001028640326 739832748 /nfs/dbraw/zinc/83/27/48/739832748.db2.gz MKEKSFWYBIGANE-CABCVRRESA-N 2 1 316.449 1.837 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029108676 740357541 /nfs/dbraw/zinc/35/75/41/740357541.db2.gz NQCUTTHIWWGLET-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]C(C)C)CC1 ZINC001029108676 740357545 /nfs/dbraw/zinc/35/75/45/740357545.db2.gz NQCUTTHIWWGLET-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001087749338 740731834 /nfs/dbraw/zinc/73/18/34/740731834.db2.gz GRAJGANHAJAXRR-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087749338 740731836 /nfs/dbraw/zinc/73/18/36/740731836.db2.gz GRAJGANHAJAXRR-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@H]1CC ZINC001087749338 740731838 /nfs/dbraw/zinc/73/18/38/740731838.db2.gz GRAJGANHAJAXRR-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998192592 751581139 /nfs/dbraw/zinc/58/11/39/751581139.db2.gz WNIOVFRDIXAWQK-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC000998192592 751581142 /nfs/dbraw/zinc/58/11/42/751581142.db2.gz WNIOVFRDIXAWQK-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000998192592 751581148 /nfs/dbraw/zinc/58/11/48/751581148.db2.gz WNIOVFRDIXAWQK-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998192592 751581150 /nfs/dbraw/zinc/58/11/50/751581150.db2.gz WNIOVFRDIXAWQK-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]2C1 ZINC001088042018 740964054 /nfs/dbraw/zinc/96/40/54/740964054.db2.gz UGTLHVDWPICVBP-WBVHZDCISA-N 2 1 322.412 1.752 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C[C@@H]2C1 ZINC001088052648 740971695 /nfs/dbraw/zinc/97/16/95/740971695.db2.gz BESDAPKXFUQVSF-SQNIBIBYSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]2C1 ZINC001088211651 741107958 /nfs/dbraw/zinc/10/79/58/741107958.db2.gz UIKSLQOQJMNGMI-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088211651 741107962 /nfs/dbraw/zinc/10/79/62/741107962.db2.gz UIKSLQOQJMNGMI-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001088288547 741332843 /nfs/dbraw/zinc/33/28/43/741332843.db2.gz XQMMNFZUYNZEKZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001088288547 741332850 /nfs/dbraw/zinc/33/28/50/741332850.db2.gz XQMMNFZUYNZEKZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1C ZINC001088569028 741844245 /nfs/dbraw/zinc/84/42/45/741844245.db2.gz DWQFBFKGODNPIV-NUJGCVRESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569028 741844248 /nfs/dbraw/zinc/84/42/48/741844248.db2.gz DWQFBFKGODNPIV-NUJGCVRESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001088569028 741844250 /nfs/dbraw/zinc/84/42/50/741844250.db2.gz DWQFBFKGODNPIV-NUJGCVRESA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H]1C ZINC001088621812 742019824 /nfs/dbraw/zinc/01/98/24/742019824.db2.gz UZGQIJVFIQOKCE-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001088621812 742019828 /nfs/dbraw/zinc/01/98/28/742019828.db2.gz UZGQIJVFIQOKCE-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621812 742019833 /nfs/dbraw/zinc/01/98/33/742019833.db2.gz UZGQIJVFIQOKCE-IKGGRYGDSA-N 2 1 305.466 1.852 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168345319 742205862 /nfs/dbraw/zinc/20/58/62/742205862.db2.gz PHQUMEMFSALKNE-UHFFFAOYSA-N 2 1 311.470 1.405 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161468 742579343 /nfs/dbraw/zinc/57/93/43/742579343.db2.gz OEWVTJNSYUMVEL-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161468 742579344 /nfs/dbraw/zinc/57/93/44/742579344.db2.gz OEWVTJNSYUMVEL-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161468 742579349 /nfs/dbraw/zinc/57/93/49/742579349.db2.gz OEWVTJNSYUMVEL-RCCFBDPRSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CC2 ZINC001035706307 751792306 /nfs/dbraw/zinc/79/23/06/751792306.db2.gz IGMFDJWULRHUJI-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCF)C2)CC1 ZINC001035724377 751814627 /nfs/dbraw/zinc/81/46/27/751814627.db2.gz DBAKGGFLNIOLMT-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCF)C2)CC1 ZINC001035724377 751814635 /nfs/dbraw/zinc/81/46/35/751814635.db2.gz DBAKGGFLNIOLMT-INIZCTEOSA-N 2 1 321.440 1.368 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001105722236 743760509 /nfs/dbraw/zinc/76/05/09/743760509.db2.gz XCQYRKXXPBZDSB-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC2(CCOCC2)C1 ZINC001089930290 751859344 /nfs/dbraw/zinc/85/93/44/751859344.db2.gz ZADVHBOGYIPBFD-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089930290 751859349 /nfs/dbraw/zinc/85/93/49/751859349.db2.gz ZADVHBOGYIPBFD-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC2(CCOCC2)C1 ZINC001089930290 751859357 /nfs/dbraw/zinc/85/93/57/751859357.db2.gz ZADVHBOGYIPBFD-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)CCC=C)C1 ZINC001183353903 743821667 /nfs/dbraw/zinc/82/16/67/743821667.db2.gz GOGBVOWKPPRDNZ-BBWFWOEESA-N 2 1 303.450 1.629 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)CCC=C)C1 ZINC001183353903 743821671 /nfs/dbraw/zinc/82/16/71/743821671.db2.gz GOGBVOWKPPRDNZ-BBWFWOEESA-N 2 1 303.450 1.629 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184809707 744105599 /nfs/dbraw/zinc/10/55/99/744105599.db2.gz HJHPCOHUQVLSJO-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001186608306 744420194 /nfs/dbraw/zinc/42/01/94/744420194.db2.gz JTQOLDRJTYDENN-OAHLLOKOSA-N 2 1 309.373 1.095 20 30 DDEDMP C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001089073889 744490809 /nfs/dbraw/zinc/49/08/09/744490809.db2.gz IADCFDIEEZJFDR-PBHICJAKSA-N 2 1 323.400 1.534 20 30 DDEDMP C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCN1Cc1ccc(C#N)cc1 ZINC001089073889 744490810 /nfs/dbraw/zinc/49/08/10/744490810.db2.gz IADCFDIEEZJFDR-PBHICJAKSA-N 2 1 323.400 1.534 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247456 761887875 /nfs/dbraw/zinc/88/78/75/761887875.db2.gz WFKRPGMIFNEAHX-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1 ZINC001192142084 745709364 /nfs/dbraw/zinc/70/93/64/745709364.db2.gz HWQRFCNMXLPPLH-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354434 745764201 /nfs/dbraw/zinc/76/42/01/745764201.db2.gz LSOJLARIEAUOJP-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192354434 745764206 /nfs/dbraw/zinc/76/42/06/745764206.db2.gz LSOJLARIEAUOJP-CVEARBPZSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001192671875 745857239 /nfs/dbraw/zinc/85/72/39/745857239.db2.gz SATNZXHUMBJDBH-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001192671875 745857244 /nfs/dbraw/zinc/85/72/44/745857244.db2.gz SATNZXHUMBJDBH-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001192671875 745857250 /nfs/dbraw/zinc/85/72/50/745857250.db2.gz SATNZXHUMBJDBH-DLBZAZTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106673198 745893346 /nfs/dbraw/zinc/89/33/46/745893346.db2.gz RBHJHHAJXNUYQJ-HZPDHXFCSA-N 2 1 307.482 1.672 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106763821 746044243 /nfs/dbraw/zinc/04/42/43/746044243.db2.gz UMCBTNFSDULKNI-NVXWUHKLSA-N 2 1 316.449 1.679 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352900 746100051 /nfs/dbraw/zinc/10/00/51/746100051.db2.gz WQZPSGBLPPHHBQ-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352900 746100055 /nfs/dbraw/zinc/10/00/55/746100055.db2.gz WQZPSGBLPPHHBQ-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352900 746100058 /nfs/dbraw/zinc/10/00/58/746100058.db2.gz WQZPSGBLPPHHBQ-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352900 746100062 /nfs/dbraw/zinc/10/00/62/746100062.db2.gz WQZPSGBLPPHHBQ-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193489647 746118502 /nfs/dbraw/zinc/11/85/02/746118502.db2.gz YWDGYITZWFKSES-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015707110 746509707 /nfs/dbraw/zinc/50/97/07/746509707.db2.gz ZWGVALCVESAOSJ-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015707110 746509713 /nfs/dbraw/zinc/50/97/13/746509713.db2.gz ZWGVALCVESAOSJ-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015707110 746509716 /nfs/dbraw/zinc/50/97/16/746509716.db2.gz ZWGVALCVESAOSJ-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389866 746774805 /nfs/dbraw/zinc/77/48/05/746774805.db2.gz WJDXQVZYHCOJJP-OWCLPIDISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389866 746774809 /nfs/dbraw/zinc/77/48/09/746774809.db2.gz WJDXQVZYHCOJJP-OWCLPIDISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089389866 746774811 /nfs/dbraw/zinc/77/48/11/746774811.db2.gz WJDXQVZYHCOJJP-OWCLPIDISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC/C=C/CC)CC1 ZINC001196191403 746787697 /nfs/dbraw/zinc/78/76/97/746787697.db2.gz FPNBDQIYGFLEFL-QWNKOJSDSA-N 2 1 317.477 1.975 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196191403 746787701 /nfs/dbraw/zinc/78/77/01/746787701.db2.gz FPNBDQIYGFLEFL-QWNKOJSDSA-N 2 1 317.477 1.975 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC/C=C/CC)CC1 ZINC001196191403 746787704 /nfs/dbraw/zinc/78/77/04/746787704.db2.gz FPNBDQIYGFLEFL-QWNKOJSDSA-N 2 1 317.477 1.975 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC/C=C/CC)CC1 ZINC001196191403 746787707 /nfs/dbraw/zinc/78/77/07/746787707.db2.gz FPNBDQIYGFLEFL-QWNKOJSDSA-N 2 1 317.477 1.975 20 30 DDEDMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203175148 746825031 /nfs/dbraw/zinc/82/50/31/746825031.db2.gz BINZYXGKPBIUTE-GJZGRUSLSA-N 2 1 302.422 1.785 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002994383 746889731 /nfs/dbraw/zinc/88/97/31/746889731.db2.gz GVOJMDITYAEMDV-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089442091 746912921 /nfs/dbraw/zinc/91/29/21/746912921.db2.gz NGDDUBQHZWWISR-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089442091 746912925 /nfs/dbraw/zinc/91/29/25/746912925.db2.gz NGDDUBQHZWWISR-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196926281 746999192 /nfs/dbraw/zinc/99/91/92/746999192.db2.gz VBVOSMANDSYNGZ-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196926281 746999196 /nfs/dbraw/zinc/99/91/96/746999196.db2.gz VBVOSMANDSYNGZ-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001197448018 747153607 /nfs/dbraw/zinc/15/36/07/747153607.db2.gz LNDDTVVQIJTQBI-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001197448018 747153610 /nfs/dbraw/zinc/15/36/10/747153610.db2.gz LNDDTVVQIJTQBI-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001003516109 747261993 /nfs/dbraw/zinc/26/19/93/747261993.db2.gz NLAVJVDDPBOCJQ-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634920 748297812 /nfs/dbraw/zinc/29/78/12/748297812.db2.gz NTXDXTFFBHRNQE-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721736 748328747 /nfs/dbraw/zinc/32/87/47/748328747.db2.gz ONZYCDXPZFNDCT-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053175 748407558 /nfs/dbraw/zinc/40/75/58/748407558.db2.gz MBWOLERCJKQJMY-OAHLLOKOSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCn2ccnc2)CC1 ZINC001004498499 748486472 /nfs/dbraw/zinc/48/64/72/748486472.db2.gz IHRFKCOQJZRNBE-KRWDZBQOSA-N 2 1 314.433 1.609 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201402342 748498603 /nfs/dbraw/zinc/49/86/03/748498603.db2.gz COLVMJBPGUAWBM-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863219 748613878 /nfs/dbraw/zinc/61/38/78/748613878.db2.gz JGPBALPFWDTHJV-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099554176 748680992 /nfs/dbraw/zinc/68/09/92/748680992.db2.gz YBRZMTUPSZUYOH-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099554176 748680998 /nfs/dbraw/zinc/68/09/98/748680998.db2.gz YBRZMTUPSZUYOH-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099554176 748681003 /nfs/dbraw/zinc/68/10/03/748681003.db2.gz YBRZMTUPSZUYOH-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001039282321 761909528 /nfs/dbraw/zinc/90/95/28/761909528.db2.gz MMEZEUXAMTZZQU-AKBNIOSXSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001039282321 761909532 /nfs/dbraw/zinc/90/95/32/761909532.db2.gz MMEZEUXAMTZZQU-AKBNIOSXSA-N 2 1 321.465 1.393 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353707 749226099 /nfs/dbraw/zinc/22/60/99/749226099.db2.gz JXBIZASPOINWMN-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033353707 749226102 /nfs/dbraw/zinc/22/61/02/749226102.db2.gz JXBIZASPOINWMN-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001033353707 749226104 /nfs/dbraw/zinc/22/61/04/749226104.db2.gz JXBIZASPOINWMN-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC#CCOC ZINC001153728258 749242905 /nfs/dbraw/zinc/24/29/05/749242905.db2.gz LWFYVTKOOBAIGN-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC#CCOC ZINC001153728258 749242907 /nfs/dbraw/zinc/24/29/07/749242907.db2.gz LWFYVTKOOBAIGN-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC#CCOC ZINC001153728258 749242910 /nfs/dbraw/zinc/24/29/10/749242910.db2.gz LWFYVTKOOBAIGN-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC000995996193 749324291 /nfs/dbraw/zinc/32/42/91/749324291.db2.gz SNTBIKBYLQDWKW-HOTGVXAUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001033677403 749704024 /nfs/dbraw/zinc/70/40/24/749704024.db2.gz BCCJWPNGQAXCFK-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001033677403 749704029 /nfs/dbraw/zinc/70/40/29/749704029.db2.gz BCCJWPNGQAXCFK-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033677403 749704033 /nfs/dbraw/zinc/70/40/33/749704033.db2.gz BCCJWPNGQAXCFK-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001033677403 749704041 /nfs/dbraw/zinc/70/40/41/749704041.db2.gz BCCJWPNGQAXCFK-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001108355301 761974627 /nfs/dbraw/zinc/97/46/27/761974627.db2.gz YXOGZZAEKXYQPI-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108355301 761974632 /nfs/dbraw/zinc/97/46/32/761974632.db2.gz YXOGZZAEKXYQPI-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108355301 761974639 /nfs/dbraw/zinc/97/46/39/761974639.db2.gz YXOGZZAEKXYQPI-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108355301 761974644 /nfs/dbraw/zinc/97/46/44/761974644.db2.gz YXOGZZAEKXYQPI-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039374519 761976524 /nfs/dbraw/zinc/97/65/24/761976524.db2.gz ZMMJYNMKJDBCRC-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039374519 761976528 /nfs/dbraw/zinc/97/65/28/761976528.db2.gz ZMMJYNMKJDBCRC-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001039374519 761976534 /nfs/dbraw/zinc/97/65/34/761976534.db2.gz ZMMJYNMKJDBCRC-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001039374519 761976543 /nfs/dbraw/zinc/97/65/43/761976543.db2.gz ZMMJYNMKJDBCRC-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001039374519 761976547 /nfs/dbraw/zinc/97/65/47/761976547.db2.gz ZMMJYNMKJDBCRC-SQNIBIBYSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001039386308 761986799 /nfs/dbraw/zinc/98/67/99/761986799.db2.gz INWBHNLSBHSIAR-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039386308 761986802 /nfs/dbraw/zinc/98/68/02/761986802.db2.gz INWBHNLSBHSIAR-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001039386308 761986806 /nfs/dbraw/zinc/98/68/06/761986806.db2.gz INWBHNLSBHSIAR-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385147 749939277 /nfs/dbraw/zinc/93/92/77/749939277.db2.gz PWVCQMPRXISWSO-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001005478784 750147584 /nfs/dbraw/zinc/14/75/84/750147584.db2.gz ZGBYYTYVUHRIPU-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)CC1 ZINC001034539238 750543358 /nfs/dbraw/zinc/54/33/58/750543358.db2.gz ZANSSZNOJHNKAQ-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001114623791 750863031 /nfs/dbraw/zinc/86/30/31/750863031.db2.gz FPEROARUOFCATP-DZFIZOCASA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001114623791 750863041 /nfs/dbraw/zinc/86/30/41/750863041.db2.gz FPEROARUOFCATP-DZFIZOCASA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001114623791 750863049 /nfs/dbraw/zinc/86/30/49/750863049.db2.gz FPEROARUOFCATP-DZFIZOCASA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471766 750950491 /nfs/dbraw/zinc/95/04/91/750950491.db2.gz DTTVMBMSUXXHBI-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000997595676 751142208 /nfs/dbraw/zinc/14/22/08/751142208.db2.gz GPJYBGDIVRKFOW-ZMSDIMECSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000997870194 751329742 /nfs/dbraw/zinc/32/97/42/751329742.db2.gz IAJQQJSZNVTUEC-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997870194 751329748 /nfs/dbraw/zinc/32/97/48/751329748.db2.gz IAJQQJSZNVTUEC-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001009626634 753287501 /nfs/dbraw/zinc/28/75/01/753287501.db2.gz JORJCTAEECKEMO-FAOGRTBUSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C/C=C\Cl)C2)CC1 ZINC001009626634 753287507 /nfs/dbraw/zinc/28/75/07/753287507.db2.gz JORJCTAEECKEMO-FAOGRTBUSA-N 2 1 323.868 1.665 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967510 753928503 /nfs/dbraw/zinc/92/85/03/753928503.db2.gz FFDHYVBKQLSZHV-HZPDHXFCSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967510 753928508 /nfs/dbraw/zinc/92/85/08/753928508.db2.gz FFDHYVBKQLSZHV-HZPDHXFCSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967510 753928514 /nfs/dbraw/zinc/92/85/14/753928514.db2.gz FFDHYVBKQLSZHV-HZPDHXFCSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803810 754119993 /nfs/dbraw/zinc/11/99/93/754119993.db2.gz MHLFZSJZFCERSY-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803810 754119995 /nfs/dbraw/zinc/11/99/95/754119995.db2.gz MHLFZSJZFCERSY-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C12CCC2 ZINC001078739434 754357748 /nfs/dbraw/zinc/35/77/48/754357748.db2.gz OMZCHURCWWHCQP-LSDHHAIUSA-N 2 1 314.433 1.657 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014474115 755750518 /nfs/dbraw/zinc/75/05/18/755750518.db2.gz SWESYAHSRPDBMG-BBWFWOEESA-N 2 1 321.465 1.110 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593181 755986390 /nfs/dbraw/zinc/98/63/90/755986390.db2.gz MRVHIKRYEZRESW-GDBMZVCRSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040209173 762440340 /nfs/dbraw/zinc/44/03/40/762440340.db2.gz GWDQPTLBTNXMFZ-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209173 762440341 /nfs/dbraw/zinc/44/03/41/762440341.db2.gz GWDQPTLBTNXMFZ-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040209173 762440342 /nfs/dbraw/zinc/44/03/42/762440342.db2.gz GWDQPTLBTNXMFZ-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133946 756648101 /nfs/dbraw/zinc/64/81/01/756648101.db2.gz VRNFBFIJQHFDHJ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133946 756648103 /nfs/dbraw/zinc/64/81/03/756648103.db2.gz VRNFBFIJQHFDHJ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H](OC)C1 ZINC001082133946 756648105 /nfs/dbraw/zinc/64/81/05/756648105.db2.gz VRNFBFIJQHFDHJ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326651 756740197 /nfs/dbraw/zinc/74/01/97/756740197.db2.gz LYWQJIAINHIRFT-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326651 756740200 /nfs/dbraw/zinc/74/02/00/756740200.db2.gz LYWQJIAINHIRFT-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326651 756740201 /nfs/dbraw/zinc/74/02/01/756740201.db2.gz LYWQJIAINHIRFT-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001082852114 756936353 /nfs/dbraw/zinc/93/63/53/756936353.db2.gz UMEUXWIKQJLMAR-ZACQAIPSSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001097176987 756949756 /nfs/dbraw/zinc/94/97/56/756949756.db2.gz DUBSOPOKPQTNLQ-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001097176987 756949762 /nfs/dbraw/zinc/94/97/62/756949762.db2.gz DUBSOPOKPQTNLQ-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001097176987 756949766 /nfs/dbraw/zinc/94/97/66/756949766.db2.gz DUBSOPOKPQTNLQ-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001097444635 757173910 /nfs/dbraw/zinc/17/39/10/757173910.db2.gz ALQKAKBBNSGQOT-OIISXLGYSA-N 2 1 308.385 1.693 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654314 757237690 /nfs/dbraw/zinc/23/76/90/757237690.db2.gz GPMDSRRBYDSLNA-DLBZAZTESA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001016828913 757389396 /nfs/dbraw/zinc/38/93/96/757389396.db2.gz JQTMWQNSWMLFNA-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016972102 757519847 /nfs/dbraw/zinc/51/98/47/757519847.db2.gz PHURJRUCWKCJAS-OAHLLOKOSA-N 2 1 302.422 1.738 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958502 758097654 /nfs/dbraw/zinc/09/76/54/758097654.db2.gz DGHJFQFUUUDPNG-PVAVHDDUSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)C[C@@H]21 ZINC001084975928 758114435 /nfs/dbraw/zinc/11/44/35/758114435.db2.gz ZFWUCEJPTQDQRZ-VYDXJSESSA-N 2 1 312.417 1.002 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053798935 758826927 /nfs/dbraw/zinc/82/69/27/758826927.db2.gz HMEUHQITYMOLLX-HZPDHXFCSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053798935 758826939 /nfs/dbraw/zinc/82/69/39/758826939.db2.gz HMEUHQITYMOLLX-HZPDHXFCSA-N 2 1 321.465 1.395 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001054100016 759163277 /nfs/dbraw/zinc/16/32/77/759163277.db2.gz UQAJWDDXTQFRDH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054100016 759163279 /nfs/dbraw/zinc/16/32/79/759163279.db2.gz UQAJWDDXTQFRDH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001054100016 759163282 /nfs/dbraw/zinc/16/32/82/759163282.db2.gz UQAJWDDXTQFRDH-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134911 759209877 /nfs/dbraw/zinc/20/98/77/759209877.db2.gz PJCZWAUCINOHPI-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134911 759209882 /nfs/dbraw/zinc/20/98/82/759209882.db2.gz PJCZWAUCINOHPI-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134911 759209891 /nfs/dbraw/zinc/20/98/91/759209891.db2.gz PJCZWAUCINOHPI-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001054145885 759224884 /nfs/dbraw/zinc/22/48/84/759224884.db2.gz ZGFPUJRMYCSCSY-FUHWJXTLSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227826 759318736 /nfs/dbraw/zinc/31/87/36/759318736.db2.gz KXCNGBCHULWXMD-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227826 759318741 /nfs/dbraw/zinc/31/87/41/759318741.db2.gz KXCNGBCHULWXMD-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227826 759318751 /nfs/dbraw/zinc/31/87/51/759318751.db2.gz KXCNGBCHULWXMD-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001054244003 759334036 /nfs/dbraw/zinc/33/40/36/759334036.db2.gz SAFDHJSGQQXJBR-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001054244003 759334045 /nfs/dbraw/zinc/33/40/45/759334045.db2.gz SAFDHJSGQQXJBR-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001054244003 759334054 /nfs/dbraw/zinc/33/40/54/759334054.db2.gz SAFDHJSGQQXJBR-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C2 ZINC001054244003 759334062 /nfs/dbraw/zinc/33/40/62/759334062.db2.gz SAFDHJSGQQXJBR-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085778773 760212557 /nfs/dbraw/zinc/21/25/57/760212557.db2.gz GZUCZNRYNBPCDO-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778773 760212566 /nfs/dbraw/zinc/21/25/66/760212566.db2.gz GZUCZNRYNBPCDO-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001085778773 760212574 /nfs/dbraw/zinc/21/25/74/760212574.db2.gz GZUCZNRYNBPCDO-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001108215329 760398967 /nfs/dbraw/zinc/39/89/67/760398967.db2.gz DQKFRADMICVSLD-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215329 760398979 /nfs/dbraw/zinc/39/89/79/760398979.db2.gz DQKFRADMICVSLD-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001108215329 760398986 /nfs/dbraw/zinc/39/89/86/760398986.db2.gz DQKFRADMICVSLD-AEFFLSMTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001046851073 767984078 /nfs/dbraw/zinc/98/40/78/767984078.db2.gz CDUCJHHHFNWQML-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001046851073 767984082 /nfs/dbraw/zinc/98/40/82/767984082.db2.gz CDUCJHHHFNWQML-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046851073 767984086 /nfs/dbraw/zinc/98/40/86/767984086.db2.gz CDUCJHHHFNWQML-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001046851073 767984090 /nfs/dbraw/zinc/98/40/90/767984090.db2.gz CDUCJHHHFNWQML-NVXWUHKLSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH+](CCO)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001098410271 761045357 /nfs/dbraw/zinc/04/53/57/761045357.db2.gz LEXRQAHCJYLXDY-UHFFFAOYSA-N 2 1 323.481 1.025 20 30 DDEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001098410271 761045365 /nfs/dbraw/zinc/04/53/65/761045365.db2.gz LEXRQAHCJYLXDY-UHFFFAOYSA-N 2 1 323.481 1.025 20 30 DDEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001098410271 761045376 /nfs/dbraw/zinc/04/53/76/761045376.db2.gz LEXRQAHCJYLXDY-UHFFFAOYSA-N 2 1 323.481 1.025 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041278802 762929671 /nfs/dbraw/zinc/92/96/71/762929671.db2.gz YRLVEBCZHMITHB-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041278802 762929677 /nfs/dbraw/zinc/92/96/77/762929677.db2.gz YRLVEBCZHMITHB-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041278802 762929681 /nfs/dbraw/zinc/92/96/81/762929681.db2.gz YRLVEBCZHMITHB-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041377336 762988467 /nfs/dbraw/zinc/98/84/67/762988467.db2.gz ATPXMXJVRBJDKN-WMZOPIPTSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041411993 763011502 /nfs/dbraw/zinc/01/15/02/763011502.db2.gz DGUMTTUBGNBSTK-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041411993 763011507 /nfs/dbraw/zinc/01/15/07/763011507.db2.gz DGUMTTUBGNBSTK-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041411993 763011510 /nfs/dbraw/zinc/01/15/10/763011510.db2.gz DGUMTTUBGNBSTK-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041626674 763186059 /nfs/dbraw/zinc/18/60/59/763186059.db2.gz WULMHUKRPNGSRC-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041677659 763216221 /nfs/dbraw/zinc/21/62/21/763216221.db2.gz DOPSVRMKNXGUGQ-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041677659 763216229 /nfs/dbraw/zinc/21/62/29/763216229.db2.gz DOPSVRMKNXGUGQ-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041677659 763216237 /nfs/dbraw/zinc/21/62/37/763216237.db2.gz DOPSVRMKNXGUGQ-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1ccnc1CC)C2 ZINC001109307563 763559257 /nfs/dbraw/zinc/55/92/57/763559257.db2.gz QRDZBAFYUHTHKK-WCVJEAGWSA-N 2 1 314.433 1.751 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C2 ZINC001109361115 763604257 /nfs/dbraw/zinc/60/42/57/763604257.db2.gz MATUYWMDTVJKBK-UGUYLWEFSA-N 2 1 311.445 1.964 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001050544703 763735918 /nfs/dbraw/zinc/73/59/18/763735918.db2.gz UGHPOXGDONYFCF-HNNXBMFYSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050549282 763742304 /nfs/dbraw/zinc/74/23/04/763742304.db2.gz KOHBPLLZAZHLNM-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235205 763796882 /nfs/dbraw/zinc/79/68/82/763796882.db2.gz SWQHENJNGWAHDH-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235205 763796885 /nfs/dbraw/zinc/79/68/85/763796885.db2.gz SWQHENJNGWAHDH-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235205 763796888 /nfs/dbraw/zinc/79/68/88/763796888.db2.gz SWQHENJNGWAHDH-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050665523 763891647 /nfs/dbraw/zinc/89/16/47/763891647.db2.gz ZMFJBNJBANEMGK-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042356970 763959331 /nfs/dbraw/zinc/95/93/31/763959331.db2.gz VKUPQPSCJRWKKI-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042356970 763959335 /nfs/dbraw/zinc/95/93/35/763959335.db2.gz VKUPQPSCJRWKKI-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042357026 763960941 /nfs/dbraw/zinc/96/09/41/763960941.db2.gz WLSHRNMRMUMERD-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042357026 763960945 /nfs/dbraw/zinc/96/09/45/763960945.db2.gz WLSHRNMRMUMERD-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001098476634 768211115 /nfs/dbraw/zinc/21/11/15/768211115.db2.gz ODHCBTDJJSVNNX-QGZVFWFLSA-N 2 1 323.481 1.025 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001113403224 765654249 /nfs/dbraw/zinc/65/42/49/765654249.db2.gz XVUZMTYZODINBW-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096010757 766119206 /nfs/dbraw/zinc/11/92/06/766119206.db2.gz XSSZLYIYVZQMNK-FSDCSDTHSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001096010757 766119216 /nfs/dbraw/zinc/11/92/16/766119216.db2.gz XSSZLYIYVZQMNK-FSDCSDTHSA-N 2 1 314.433 1.661 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001170211041 766170459 /nfs/dbraw/zinc/17/04/59/766170459.db2.gz HBILDANDXPZLHW-UHFFFAOYSA-N 2 1 319.424 1.615 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001045645159 766472165 /nfs/dbraw/zinc/47/21/65/766472165.db2.gz QPRUARYFZLQBFM-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045645159 766472166 /nfs/dbraw/zinc/47/21/66/766472166.db2.gz QPRUARYFZLQBFM-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001046561625 767690430 /nfs/dbraw/zinc/69/04/30/767690430.db2.gz INXFMGDNVVEXAE-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561625 767690433 /nfs/dbraw/zinc/69/04/33/767690433.db2.gz INXFMGDNVVEXAE-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001046561625 767690439 /nfs/dbraw/zinc/69/04/39/767690439.db2.gz INXFMGDNVVEXAE-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406423 768809704 /nfs/dbraw/zinc/80/97/04/768809704.db2.gz ISRDMAGNPCTUBG-CVEARBPZSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132407114 768811170 /nfs/dbraw/zinc/81/11/70/768811170.db2.gz VEKQERVUVYTMQL-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132437121 768860300 /nfs/dbraw/zinc/86/03/00/768860300.db2.gz QGXKKSMXUQPSSW-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132437121 768860310 /nfs/dbraw/zinc/86/03/10/768860310.db2.gz QGXKKSMXUQPSSW-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132437121 768860321 /nfs/dbraw/zinc/86/03/21/768860321.db2.gz QGXKKSMXUQPSSW-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132437121 768860332 /nfs/dbraw/zinc/86/03/32/768860332.db2.gz QGXKKSMXUQPSSW-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048814948 769934526 /nfs/dbraw/zinc/93/45/26/769934526.db2.gz GFVGPNNNHYDHSN-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048814948 769934533 /nfs/dbraw/zinc/93/45/33/769934533.db2.gz GFVGPNNNHYDHSN-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@H]2C1 ZINC001048814948 769934540 /nfs/dbraw/zinc/93/45/40/769934540.db2.gz GFVGPNNNHYDHSN-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2C1 ZINC001048885494 770049123 /nfs/dbraw/zinc/04/91/23/770049123.db2.gz WBTLRZQBBAOBPH-CALCHBBNSA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049532240 770990734 /nfs/dbraw/zinc/99/07/34/770990734.db2.gz IAGHEQZGTMYEFA-IKGGRYGDSA-N 2 1 305.466 1.661 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846184 771203763 /nfs/dbraw/zinc/20/37/63/771203763.db2.gz GGUSIVIODHPHKK-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049902647 771246230 /nfs/dbraw/zinc/24/62/30/771246230.db2.gz UQLNGHQUJVCBOE-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C ZINC001049902647 771246234 /nfs/dbraw/zinc/24/62/34/771246234.db2.gz UQLNGHQUJVCBOE-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCF)CC1 ZINC001049917998 771258843 /nfs/dbraw/zinc/25/88/43/771258843.db2.gz JMFYRKYICORGFS-IAGOWNOFSA-N 2 1 321.440 1.366 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001090674355 772095395 /nfs/dbraw/zinc/09/53/95/772095395.db2.gz STFMJECICKYBND-DLBZAZTESA-N 2 1 323.481 1.236 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001171216862 772609147 /nfs/dbraw/zinc/60/91/47/772609147.db2.gz KAFHRNUNXZCITG-KRWDZBQOSA-N 2 1 314.433 1.496 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091530849 772806611 /nfs/dbraw/zinc/80/66/11/772806611.db2.gz IBDGFQRBKYIAIP-FMKPAKJESA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091530849 772806614 /nfs/dbraw/zinc/80/66/14/772806614.db2.gz IBDGFQRBKYIAIP-FMKPAKJESA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530849 772806615 /nfs/dbraw/zinc/80/66/15/772806615.db2.gz IBDGFQRBKYIAIP-FMKPAKJESA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530849 772806618 /nfs/dbraw/zinc/80/66/18/772806618.db2.gz IBDGFQRBKYIAIP-FMKPAKJESA-N 2 1 311.857 1.613 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001171308226 773159083 /nfs/dbraw/zinc/15/90/83/773159083.db2.gz PRYDSLQGOGXGIK-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC1CC1 ZINC001171308226 773159085 /nfs/dbraw/zinc/15/90/85/773159085.db2.gz PRYDSLQGOGXGIK-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633807 773246353 /nfs/dbraw/zinc/24/63/53/773246353.db2.gz HLJHUSLMAMGHNN-HUUCEWRRSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001073633807 773246358 /nfs/dbraw/zinc/24/63/58/773246358.db2.gz HLJHUSLMAMGHNN-HUUCEWRRSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754744 773629891 /nfs/dbraw/zinc/62/98/91/773629891.db2.gz YKDPRNZULBPVBA-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754744 773629896 /nfs/dbraw/zinc/62/98/96/773629896.db2.gz YKDPRNZULBPVBA-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754744 773629901 /nfs/dbraw/zinc/62/99/01/773629901.db2.gz YKDPRNZULBPVBA-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001086941691 773731223 /nfs/dbraw/zinc/73/12/23/773731223.db2.gz ACMTVSHVIGBSQC-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092722107 774229910 /nfs/dbraw/zinc/22/99/10/774229910.db2.gz VNUYVWVVWSTZHN-HZPDHXFCSA-N 2 1 303.450 1.180 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092913341 774300192 /nfs/dbraw/zinc/30/01/92/774300192.db2.gz JBSCKWNCZGAAQR-FVQBIDKESA-N 2 1 316.449 1.624 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092913341 774300198 /nfs/dbraw/zinc/30/01/98/774300198.db2.gz JBSCKWNCZGAAQR-FVQBIDKESA-N 2 1 316.449 1.624 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]21 ZINC001036749010 774471213 /nfs/dbraw/zinc/47/12/13/774471213.db2.gz PDQIHEMEAHTBJP-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001098462739 774586618 /nfs/dbraw/zinc/58/66/18/774586618.db2.gz KQQORYJVXCFGBA-KURKYZTESA-N 2 1 313.445 1.076 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820629 774725123 /nfs/dbraw/zinc/72/51/23/774725123.db2.gz MDRNHFDTKVEAPN-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820629 774725128 /nfs/dbraw/zinc/72/51/28/774725128.db2.gz MDRNHFDTKVEAPN-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036820629 774725131 /nfs/dbraw/zinc/72/51/31/774725131.db2.gz MDRNHFDTKVEAPN-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989875 775532134 /nfs/dbraw/zinc/53/21/34/775532134.db2.gz UZGSEZHZRJTMNF-HOTGVXAUSA-N 2 1 313.486 1.460 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3CCC)CCC[C@@H]12 ZINC001094429922 775854417 /nfs/dbraw/zinc/85/44/17/775854417.db2.gz BEABSHAUASVNNM-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094429922 775854427 /nfs/dbraw/zinc/85/44/27/775854427.db2.gz BEABSHAUASVNNM-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3CCC)CCC[C@@H]12 ZINC001094429922 775854433 /nfs/dbraw/zinc/85/44/33/775854433.db2.gz BEABSHAUASVNNM-YQVWRLOYSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@H]21 ZINC001036897085 776011481 /nfs/dbraw/zinc/01/14/81/776011481.db2.gz ZKNORVOUPNKYDZ-HUUCEWRRSA-N 2 1 311.857 1.758 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001094560648 776029053 /nfs/dbraw/zinc/02/90/53/776029053.db2.gz VTYRQHSBUKJWDM-NVXWUHKLSA-N 2 1 303.450 1.629 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC=C)C2)CC1 ZINC001036902593 776076864 /nfs/dbraw/zinc/07/68/64/776076864.db2.gz MRIYKQCVAIWLFL-ROUUACIJSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CC)C2)CC1 ZINC001036902361 776076943 /nfs/dbraw/zinc/07/69/43/776076943.db2.gz JQYLBDKZYFEBHD-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171628931 776354603 /nfs/dbraw/zinc/35/46/03/776354603.db2.gz CYIWLTRUNKEJQK-CQSZACIVSA-N 2 1 320.437 1.638 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758934 776507080 /nfs/dbraw/zinc/50/70/80/776507080.db2.gz VVYLYUWBLMENTH-UHFFFAOYSA-N 2 1 309.454 1.159 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368620 777100683 /nfs/dbraw/zinc/10/06/83/777100683.db2.gz DTPRCRMIRAOLQN-APWZRJJASA-N 2 1 319.493 1.768 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368620 777100687 /nfs/dbraw/zinc/10/06/87/777100687.db2.gz DTPRCRMIRAOLQN-APWZRJJASA-N 2 1 319.493 1.768 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368620 777100690 /nfs/dbraw/zinc/10/06/90/777100690.db2.gz DTPRCRMIRAOLQN-APWZRJJASA-N 2 1 319.493 1.768 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001101556930 777245903 /nfs/dbraw/zinc/24/59/03/777245903.db2.gz LMTCZGZEEFRXIK-UHFFFAOYSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001174927333 777635245 /nfs/dbraw/zinc/63/52/45/777635245.db2.gz COCAXDZDAIIVMO-GOEBONIOSA-N 2 1 316.449 1.652 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102086015 777863986 /nfs/dbraw/zinc/86/39/86/777863986.db2.gz MXOBCDJFJNWBKK-HZPDHXFCSA-N 2 1 323.481 1.215 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001103267822 778747409 /nfs/dbraw/zinc/74/74/09/778747409.db2.gz HPSGWFHVFGKCMC-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)COC ZINC001178722495 779139251 /nfs/dbraw/zinc/13/92/51/779139251.db2.gz IITSWZJTBUVFME-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+][C@H](C)COC ZINC001178722495 779139256 /nfs/dbraw/zinc/13/92/56/779139256.db2.gz IITSWZJTBUVFME-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCCCCC ZINC001114982999 779802385 /nfs/dbraw/zinc/80/23/85/779802385.db2.gz ZZCOAPCMSSMYBO-VQFNDLOPSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114982999 779802392 /nfs/dbraw/zinc/80/23/92/779802392.db2.gz ZZCOAPCMSSMYBO-VQFNDLOPSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCCCCC ZINC001114982999 779802397 /nfs/dbraw/zinc/80/23/97/779802397.db2.gz ZZCOAPCMSSMYBO-VQFNDLOPSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[N@@H+](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267224329 837559944 /nfs/dbraw/zinc/55/99/44/837559944.db2.gz BZVIPIHVHMAFMU-UHFFFAOYSA-N 2 1 313.405 1.895 20 30 DDEDMP C=CCCC[N@H+](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267224329 837559952 /nfs/dbraw/zinc/55/99/52/837559952.db2.gz BZVIPIHVHMAFMU-UHFFFAOYSA-N 2 1 313.405 1.895 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001267296554 837773823 /nfs/dbraw/zinc/77/38/23/837773823.db2.gz PSZZIPJTEXTHDS-CVEARBPZSA-N 2 1 316.449 1.850 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C(C)C ZINC001271883840 844178888 /nfs/dbraw/zinc/17/88/88/844178888.db2.gz DVHYFAWHOZKJLW-GOEBONIOSA-N 2 1 302.422 1.118 20 30 DDEDMP COCC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267108610 837364611 /nfs/dbraw/zinc/36/46/11/837364611.db2.gz PEQQRDMQDJTSQC-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267108610 837364620 /nfs/dbraw/zinc/36/46/20/837364620.db2.gz PEQQRDMQDJTSQC-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267108610 837364627 /nfs/dbraw/zinc/36/46/27/837364627.db2.gz PEQQRDMQDJTSQC-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001273175868 848634735 /nfs/dbraw/zinc/63/47/35/848634735.db2.gz LOSXJQMLAQIUQF-VXGBXAGGSA-N 2 1 318.259 1.331 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001272062844 844519888 /nfs/dbraw/zinc/51/98/88/844519888.db2.gz UVEGDQWEVTVZEY-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001269553015 841758301 /nfs/dbraw/zinc/75/83/01/841758301.db2.gz LWBDFAPJCLMLRG-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001269553015 841758307 /nfs/dbraw/zinc/75/83/07/841758307.db2.gz LWBDFAPJCLMLRG-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)CCC)CC2)C1 ZINC001269553015 841758315 /nfs/dbraw/zinc/75/83/15/841758315.db2.gz LWBDFAPJCLMLRG-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001269649235 841897067 /nfs/dbraw/zinc/89/70/67/841897067.db2.gz BMXHSOOPYZDKQP-QGZVFWFLSA-N 2 1 323.481 1.145 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001270599494 842707872 /nfs/dbraw/zinc/70/78/72/842707872.db2.gz HTKQOJUYNLHTEB-CRAIPNDOSA-N 2 1 316.449 1.992 20 30 DDEDMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001326491834 861405693 /nfs/dbraw/zinc/40/56/93/861405693.db2.gz ICNODNXKIOILNN-KRWDZBQOSA-N 2 1 301.434 1.872 20 30 DDEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001326491834 861405697 /nfs/dbraw/zinc/40/56/97/861405697.db2.gz ICNODNXKIOILNN-KRWDZBQOSA-N 2 1 301.434 1.872 20 30 DDEDMP C=CC[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001326491834 861405700 /nfs/dbraw/zinc/40/57/00/861405700.db2.gz ICNODNXKIOILNN-KRWDZBQOSA-N 2 1 301.434 1.872 20 30 DDEDMP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001272688628 846624244 /nfs/dbraw/zinc/62/42/44/846624244.db2.gz OSIZRXUBIHCBLX-RHSMWYFYSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001273038283 847824776 /nfs/dbraw/zinc/82/47/76/847824776.db2.gz CGHKOPDBXZXOSU-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248790 848155616 /nfs/dbraw/zinc/15/56/16/848155616.db2.gz FXHQURDMJPPJKP-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001034248790 848155621 /nfs/dbraw/zinc/15/56/21/848155621.db2.gz FXHQURDMJPPJKP-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001034248790 848155630 /nfs/dbraw/zinc/15/56/30/848155630.db2.gz FXHQURDMJPPJKP-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001034248790 848155636 /nfs/dbraw/zinc/15/56/36/848155636.db2.gz FXHQURDMJPPJKP-SJLPKXTDSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034240093 848170191 /nfs/dbraw/zinc/17/01/91/848170191.db2.gz OQOQCKBTSPJPFG-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034240093 848170194 /nfs/dbraw/zinc/17/01/94/848170194.db2.gz OQOQCKBTSPJPFG-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034240093 848170201 /nfs/dbraw/zinc/17/02/01/848170201.db2.gz OQOQCKBTSPJPFG-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034258601 848184141 /nfs/dbraw/zinc/18/41/41/848184141.db2.gz ZHVPRNAWFMVIKI-QGZVFWFLSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364168 848419363 /nfs/dbraw/zinc/41/93/63/848419363.db2.gz ILRZCNCAFNIIRT-INIZCTEOSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364168 848419369 /nfs/dbraw/zinc/41/93/69/848419369.db2.gz ILRZCNCAFNIIRT-INIZCTEOSA-N 2 1 317.433 1.949 20 30 DDEDMP C=CCN1C[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)OCC1=O ZINC001273143614 848555952 /nfs/dbraw/zinc/55/59/52/848555952.db2.gz JFDOCTQWWZRFJM-GOSISDBHSA-N 2 1 321.465 1.208 20 30 DDEDMP N#Cc1c[nH]c2nc(N3CCC[C@@H]([NH+]4CC(C[NH3+])C4)C3)ccc12 ZINC001155375169 862008076 /nfs/dbraw/zinc/00/80/76/862008076.db2.gz BRQFSYWHDPGVNZ-CQSZACIVSA-N 2 1 310.405 1.294 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CO2 ZINC001327412216 862152583 /nfs/dbraw/zinc/15/25/83/862152583.db2.gz KGRYCTHMNBFAII-CVEARBPZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273827704 851394537 /nfs/dbraw/zinc/39/45/37/851394537.db2.gz VLYPVSBNBSJLBM-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001273827704 851394544 /nfs/dbraw/zinc/39/45/44/851394544.db2.gz VLYPVSBNBSJLBM-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001273931132 851524543 /nfs/dbraw/zinc/52/45/43/851524543.db2.gz YLKRIRACZBSYMR-KRWDZBQOSA-N 2 1 311.470 1.238 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1 ZINC001274263690 852107001 /nfs/dbraw/zinc/10/70/01/852107001.db2.gz SVCKNSABVSMYSK-RCAFFNEUSA-N 2 1 312.417 1.414 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150620404 862360573 /nfs/dbraw/zinc/36/05/73/862360573.db2.gz PEIQADWNQYOIDG-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150620404 862360590 /nfs/dbraw/zinc/36/05/90/862360590.db2.gz PEIQADWNQYOIDG-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150620404 862360611 /nfs/dbraw/zinc/36/06/11/862360611.db2.gz PEIQADWNQYOIDG-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCN1CCC2(CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC2)C1=O ZINC001274654971 852488537 /nfs/dbraw/zinc/48/85/37/852488537.db2.gz IQNPNUNXBCXICE-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001274920813 852693224 /nfs/dbraw/zinc/69/32/24/852693224.db2.gz PTYWIOIQQNQCEN-MOPGFXCFSA-N 2 1 312.461 1.668 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001155789522 862452275 /nfs/dbraw/zinc/45/22/75/862452275.db2.gz DOXPFUAMABQNBH-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP CC[N@@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001411662691 853539879 /nfs/dbraw/zinc/53/98/79/853539879.db2.gz FQWWLNVCHSLSGT-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP CC[N@H+]1CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001411662691 853539884 /nfs/dbraw/zinc/53/98/84/853539884.db2.gz FQWWLNVCHSLSGT-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155834026 862485497 /nfs/dbraw/zinc/48/54/97/862485497.db2.gz NQVRKSFIAZEBKZ-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[NH+]1CCOCC1 ZINC001155834026 862485505 /nfs/dbraw/zinc/48/55/05/862485505.db2.gz NQVRKSFIAZEBKZ-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928071 853962961 /nfs/dbraw/zinc/96/29/61/853962961.db2.gz DJGXWRZBCWQKTR-ZFWWWQNUSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275928071 853962967 /nfs/dbraw/zinc/96/29/67/853962967.db2.gz DJGXWRZBCWQKTR-ZFWWWQNUSA-N 2 1 304.438 1.767 20 30 DDEDMP CC#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001276237122 855029115 /nfs/dbraw/zinc/02/91/15/855029115.db2.gz GBORLFFXKLLYRL-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP CC#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001276237123 855029675 /nfs/dbraw/zinc/02/96/75/855029675.db2.gz GBORLFFXKLLYRL-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001328285499 862865445 /nfs/dbraw/zinc/86/54/45/862865445.db2.gz RNUINBUFYVDDIJ-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1coc(C)n1 ZINC001328354601 862921625 /nfs/dbraw/zinc/92/16/25/862921625.db2.gz ZJHCNUZLHZEMDZ-BBRMVZONSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1coc(C)n1 ZINC001328354601 862921641 /nfs/dbraw/zinc/92/16/41/862921641.db2.gz ZJHCNUZLHZEMDZ-BBRMVZONSA-N 2 1 318.421 1.065 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732656 857651073 /nfs/dbraw/zinc/65/10/73/857651073.db2.gz SIVQODKTYDDMEY-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732656 857651076 /nfs/dbraw/zinc/65/10/76/857651076.db2.gz SIVQODKTYDDMEY-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732656 857651080 /nfs/dbraw/zinc/65/10/80/857651080.db2.gz SIVQODKTYDDMEY-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001072885976 857843283 /nfs/dbraw/zinc/84/32/83/857843283.db2.gz BGDZFZRUWOWQAA-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)C1 ZINC001072885976 857843286 /nfs/dbraw/zinc/84/32/86/857843286.db2.gz BGDZFZRUWOWQAA-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)C1 ZINC001072885976 857843289 /nfs/dbraw/zinc/84/32/89/857843289.db2.gz BGDZFZRUWOWQAA-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033346 858027088 /nfs/dbraw/zinc/02/70/88/858027088.db2.gz IYGDSZYJBRJMDB-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033346 858027094 /nfs/dbraw/zinc/02/70/94/858027094.db2.gz IYGDSZYJBRJMDB-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033346 858027106 /nfs/dbraw/zinc/02/71/06/858027106.db2.gz IYGDSZYJBRJMDB-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035905 858028026 /nfs/dbraw/zinc/02/80/26/858028026.db2.gz YLXFOVLIDHSBBL-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156373996 862983957 /nfs/dbraw/zinc/98/39/57/862983957.db2.gz IHVBRHNYGVZZBB-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156373996 862983962 /nfs/dbraw/zinc/98/39/62/862983962.db2.gz IHVBRHNYGVZZBB-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156373996 862983975 /nfs/dbraw/zinc/98/39/75/862983975.db2.gz IHVBRHNYGVZZBB-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156373996 862983984 /nfs/dbraw/zinc/98/39/84/862983984.db2.gz IHVBRHNYGVZZBB-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125948 858121318 /nfs/dbraw/zinc/12/13/18/858121318.db2.gz PNMDKYHWKZCATE-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001121772490 858593601 /nfs/dbraw/zinc/59/36/01/858593601.db2.gz BKXRZUVNBDECSE-JFPDKAJLSA-N 2 1 303.450 1.369 20 30 DDEDMP C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(C)CCO1 ZINC001157747382 864096065 /nfs/dbraw/zinc/09/60/65/864096065.db2.gz DAZUULNSDWVGFI-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001330186529 864138291 /nfs/dbraw/zinc/13/82/91/864138291.db2.gz YZHXCVVCCRZZIE-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001330186529 864138297 /nfs/dbraw/zinc/13/82/97/864138297.db2.gz YZHXCVVCCRZZIE-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001330186529 864138301 /nfs/dbraw/zinc/13/83/01/864138301.db2.gz YZHXCVVCCRZZIE-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001330186529 864138304 /nfs/dbraw/zinc/13/83/04/864138304.db2.gz YZHXCVVCCRZZIE-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCCCOC ZINC001153867627 864179829 /nfs/dbraw/zinc/17/98/29/864179829.db2.gz BVXBGVFGYYHXBW-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCCCOC ZINC001153867627 864179834 /nfs/dbraw/zinc/17/98/34/864179834.db2.gz BVXBGVFGYYHXBW-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCCOC ZINC001153867627 864179841 /nfs/dbraw/zinc/17/98/41/864179841.db2.gz BVXBGVFGYYHXBW-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCCCOC ZINC001153867627 864179848 /nfs/dbraw/zinc/17/98/48/864179848.db2.gz BVXBGVFGYYHXBW-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020263 864325482 /nfs/dbraw/zinc/32/54/82/864325482.db2.gz DGFNYPRJLDYMSD-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001154020263 864325499 /nfs/dbraw/zinc/32/54/99/864325499.db2.gz DGFNYPRJLDYMSD-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001154020263 864325513 /nfs/dbraw/zinc/32/55/13/864325513.db2.gz DGFNYPRJLDYMSD-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001154020263 864325521 /nfs/dbraw/zinc/32/55/21/864325521.db2.gz DGFNYPRJLDYMSD-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001381433345 881753193 /nfs/dbraw/zinc/75/31/93/881753193.db2.gz CHRKDNKTFHPNIK-GJZGRUSLSA-N 2 1 316.449 1.883 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097439 864424878 /nfs/dbraw/zinc/42/48/78/864424878.db2.gz CMXWSUDFGFOIFS-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001158646882 864783271 /nfs/dbraw/zinc/78/32/71/864783271.db2.gz YKJFLYUMHMSQKA-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001331052966 864806521 /nfs/dbraw/zinc/80/65/21/864806521.db2.gz CBJWLOSSZUMYQB-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001331052966 864806529 /nfs/dbraw/zinc/80/65/29/864806529.db2.gz CBJWLOSSZUMYQB-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001331470246 865104652 /nfs/dbraw/zinc/10/46/52/865104652.db2.gz OCGRHDFKEDCFTI-DOTOQJQBSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001332115633 865588644 /nfs/dbraw/zinc/58/86/44/865588644.db2.gz FJDYOHAWLUCEQZ-PKOBYXMFSA-N 2 1 317.477 1.999 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001160150193 865698556 /nfs/dbraw/zinc/69/85/56/865698556.db2.gz GJLUOKZMQZCTFA-QGZVFWFLSA-N 2 1 301.434 1.100 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001160713926 866057080 /nfs/dbraw/zinc/05/70/80/866057080.db2.gz KDHFUIYLZJIFKM-IBGZPJMESA-N 2 1 311.429 1.386 20 30 DDEDMP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001332679151 866058933 /nfs/dbraw/zinc/05/89/33/866058933.db2.gz VQBDUGCBNIEPNV-AEFFLSMTSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001332679151 866058947 /nfs/dbraw/zinc/05/89/47/866058947.db2.gz VQBDUGCBNIEPNV-AEFFLSMTSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001332679151 866058960 /nfs/dbraw/zinc/05/89/60/866058960.db2.gz VQBDUGCBNIEPNV-AEFFLSMTSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001160986859 866249117 /nfs/dbraw/zinc/24/91/17/866249117.db2.gz ZZQLPQZXXZBGSL-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986859 866249136 /nfs/dbraw/zinc/24/91/36/866249136.db2.gz ZZQLPQZXXZBGSL-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001160986859 866249159 /nfs/dbraw/zinc/24/91/59/866249159.db2.gz ZZQLPQZXXZBGSL-SFHVURJKSA-N 2 1 317.477 1.880 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001161043089 866315476 /nfs/dbraw/zinc/31/54/76/866315476.db2.gz XNKDTGCJWOXUSV-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001320028989 866434251 /nfs/dbraw/zinc/43/42/51/866434251.db2.gz JUOOOUXFUWHJPY-UHFFFAOYSA-N 2 1 315.461 1.818 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC)CC2)CC1 ZINC001161946931 867128035 /nfs/dbraw/zinc/12/80/35/867128035.db2.gz MMENGAOEEWGNIY-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001325761261 868332864 /nfs/dbraw/zinc/33/28/64/868332864.db2.gz IILBDGOGTXZCOI-IYBDPMFKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940456 868811822 /nfs/dbraw/zinc/81/18/22/868811822.db2.gz LAQWDVPIMOXCMC-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940456 868811830 /nfs/dbraw/zinc/81/18/30/868811830.db2.gz LAQWDVPIMOXCMC-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001166668339 870141303 /nfs/dbraw/zinc/14/13/03/870141303.db2.gz ZIBCEIDEESSCKC-ZDUSSCGKSA-N 2 1 320.462 1.557 20 30 DDEDMP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001317218749 870488486 /nfs/dbraw/zinc/48/84/86/870488486.db2.gz VSHDAIBZSDHQLR-JCYILVPMSA-N 2 1 305.466 1.900 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001317300890 870604257 /nfs/dbraw/zinc/60/42/57/870604257.db2.gz JEIIOXRYLNNRAU-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCCCF)C1 ZINC001317300890 870604261 /nfs/dbraw/zinc/60/42/61/870604261.db2.gz JEIIOXRYLNNRAU-HOTGVXAUSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317424914 870809944 /nfs/dbraw/zinc/80/99/44/870809944.db2.gz XLFKDAKUVSQWLB-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001316743004 871642819 /nfs/dbraw/zinc/64/28/19/871642819.db2.gz AAJSMBXIOSNVIU-INIZCTEOSA-N 2 1 320.437 1.053 20 30 DDEDMP C=C(C)C[N@@H+](CCO)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001316743004 871642833 /nfs/dbraw/zinc/64/28/33/871642833.db2.gz AAJSMBXIOSNVIU-INIZCTEOSA-N 2 1 320.437 1.053 20 30 DDEDMP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001316743005 871643461 /nfs/dbraw/zinc/64/34/61/871643461.db2.gz AAJSMBXIOSNVIU-MRXNPFEDSA-N 2 1 320.437 1.053 20 30 DDEDMP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001316743005 871643471 /nfs/dbraw/zinc/64/34/71/871643471.db2.gz AAJSMBXIOSNVIU-MRXNPFEDSA-N 2 1 320.437 1.053 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317948213 871644284 /nfs/dbraw/zinc/64/42/84/871644284.db2.gz YDUUNZAMFILZEX-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317948213 871644301 /nfs/dbraw/zinc/64/43/01/871644301.db2.gz YDUUNZAMFILZEX-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001319246557 872517079 /nfs/dbraw/zinc/51/70/79/872517079.db2.gz RHJNXKOHDUZVCL-WMLDXEAASA-N 2 1 311.445 1.564 20 30 DDEDMP C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001344677923 873074411 /nfs/dbraw/zinc/07/44/11/873074411.db2.gz BHIZWTJWJCQONB-OIISXLGYSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208129008 873867220 /nfs/dbraw/zinc/86/72/20/873867220.db2.gz MQJFDNRTPYJAQP-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208129008 873867235 /nfs/dbraw/zinc/86/72/35/873867235.db2.gz MQJFDNRTPYJAQP-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208129008 873867243 /nfs/dbraw/zinc/86/72/43/873867243.db2.gz MQJFDNRTPYJAQP-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331023 874021298 /nfs/dbraw/zinc/02/12/98/874021298.db2.gz JJIHVUJUCWODQI-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276586867 874451793 /nfs/dbraw/zinc/45/17/93/874451793.db2.gz QVUPZFPPEOTVEO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001276586867 874451803 /nfs/dbraw/zinc/45/18/03/874451803.db2.gz QVUPZFPPEOTVEO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001276586867 874451812 /nfs/dbraw/zinc/45/18/12/874451812.db2.gz QVUPZFPPEOTVEO-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001209689383 875058014 /nfs/dbraw/zinc/05/80/14/875058014.db2.gz KUNBCLDQNSDPJU-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001378856682 875782683 /nfs/dbraw/zinc/78/26/83/875782683.db2.gz JLRQOPPGSSZPTI-HNNXBMFYSA-N 2 1 316.449 1.835 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081958 876859879 /nfs/dbraw/zinc/85/98/79/876859879.db2.gz UEQJBWAWWDWOMA-RHSMWYFYSA-N 2 1 323.400 1.341 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218306609 877448994 /nfs/dbraw/zinc/44/89/94/877448994.db2.gz OWEXQMBOORORKK-JKSUJKDBSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]cc3C)[C@H]2C1 ZINC001218306609 877448997 /nfs/dbraw/zinc/44/89/97/877448997.db2.gz OWEXQMBOORORKK-JKSUJKDBSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@H]2C1 ZINC001218629905 877624996 /nfs/dbraw/zinc/62/49/96/877624996.db2.gz CKZIGWWVQNNRCE-IXDOHACOSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+](C)C)[C@H]2C1 ZINC001219000985 877866863 /nfs/dbraw/zinc/86/68/63/877866863.db2.gz JBZYIGKYTOHBFE-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634227 877903182 /nfs/dbraw/zinc/90/31/82/877903182.db2.gz BOEXLZQQXSMKGS-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001222612681 880599829 /nfs/dbraw/zinc/59/98/29/880599829.db2.gz ITLGDDKIVJTYRU-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001382167982 883561480 /nfs/dbraw/zinc/56/14/80/883561480.db2.gz RSSDYCUVVDGOCR-HNNXBMFYSA-N 2 1 316.449 1.835 20 30 DDEDMP C#CCC[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001277528197 885709459 /nfs/dbraw/zinc/70/94/59/885709459.db2.gz IOMAEDOFPFYMTG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001277528197 885709470 /nfs/dbraw/zinc/70/94/70/885709470.db2.gz IOMAEDOFPFYMTG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+](C)CCOCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001277528197 885709477 /nfs/dbraw/zinc/70/94/77/885709477.db2.gz IOMAEDOFPFYMTG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277538664 885748873 /nfs/dbraw/zinc/74/88/73/885748873.db2.gz RXDKEWOBPHOBNH-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP CN(CCC#N)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235064700 888388338 /nfs/dbraw/zinc/38/83/38/888388338.db2.gz SXFSJCSVTMHEJU-SFHVURJKSA-N 2 1 313.449 1.174 20 30 DDEDMP CN(CCC#N)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235064700 888388353 /nfs/dbraw/zinc/38/83/53/888388353.db2.gz SXFSJCSVTMHEJU-SFHVURJKSA-N 2 1 313.449 1.174 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235269902 888520449 /nfs/dbraw/zinc/52/04/49/888520449.db2.gz DUIFIJODYWEJGS-KGLIPLIRSA-N 2 1 320.355 1.970 20 30 DDEDMP C=CCCC[N@H+]1C[C@@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235269902 888520453 /nfs/dbraw/zinc/52/04/53/888520453.db2.gz DUIFIJODYWEJGS-KGLIPLIRSA-N 2 1 320.355 1.970 20 30 DDEDMP CCOC(=O)[C@]12C[N@H+](C3CCC(C)(C#N)CC3)C[C@H]1C[NH2+]CC2 ZINC001246856257 892945141 /nfs/dbraw/zinc/94/51/41/892945141.db2.gz UOGILGYJESMDAD-VSVYTNTFSA-N 2 1 319.449 1.933 20 30 DDEDMP CCCCCCC[C@H](C)[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925683 892992141 /nfs/dbraw/zinc/99/21/41/892992141.db2.gz OOJBWFYKIOQRDW-INIZCTEOSA-N 3 1 314.518 1.851 20 30 DDEDMP CCCCCCC[C@H](C)N(CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001246925683 892992148 /nfs/dbraw/zinc/99/21/48/892992148.db2.gz OOJBWFYKIOQRDW-INIZCTEOSA-N 2 1 314.518 1.851 20 30 DDEDMP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001278626731 894608019 /nfs/dbraw/zinc/60/80/19/894608019.db2.gz HXPYMEHMQDLQOV-MRXNPFEDSA-N 2 1 305.466 1.570 20 30 DDEDMP C=C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC001253602435 895923591 /nfs/dbraw/zinc/92/35/91/895923591.db2.gz IOSHVELTQCNCTL-GOSISDBHSA-N 2 1 303.450 1.461 20 30 DDEDMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254665098 896562450 /nfs/dbraw/zinc/56/24/50/896562450.db2.gz LNZRQJNXQDEIBY-MTSZKFMLSA-N 2 1 314.437 1.365 20 30 DDEDMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254665098 896562461 /nfs/dbraw/zinc/56/24/61/896562461.db2.gz LNZRQJNXQDEIBY-MTSZKFMLSA-N 2 1 314.437 1.365 20 30 DDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254665098 896562471 /nfs/dbraw/zinc/56/24/71/896562471.db2.gz LNZRQJNXQDEIBY-MTSZKFMLSA-N 2 1 314.437 1.365 20 30 DDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC001254665098 896562482 /nfs/dbraw/zinc/56/24/82/896562482.db2.gz LNZRQJNXQDEIBY-MTSZKFMLSA-N 2 1 314.437 1.365 20 30 DDEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001254673747 896566020 /nfs/dbraw/zinc/56/60/20/896566020.db2.gz OGELFLWLGICARC-CZUORRHYSA-N 2 1 304.438 1.340 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC001255362317 896865682 /nfs/dbraw/zinc/86/56/82/896865682.db2.gz CLEWKRCMIBKAGO-PMPSAXMXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC001255362317 896865689 /nfs/dbraw/zinc/86/56/89/896865689.db2.gz CLEWKRCMIBKAGO-PMPSAXMXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC001255362317 896865699 /nfs/dbraw/zinc/86/56/99/896865699.db2.gz CLEWKRCMIBKAGO-PMPSAXMXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CC)C[C@@H]2C)C1 ZINC001255362317 896865715 /nfs/dbraw/zinc/86/57/15/896865715.db2.gz CLEWKRCMIBKAGO-PMPSAXMXSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001278978500 897640468 /nfs/dbraw/zinc/64/04/68/897640468.db2.gz JXYKQHSFQZPAFU-CVEARBPZSA-N 2 1 307.482 1.861 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001390726360 900026583 /nfs/dbraw/zinc/02/65/83/900026583.db2.gz GJDZKVHTKXTUBG-HNNXBMFYSA-N 2 1 316.449 1.883 20 30 DDEDMP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001264669513 901270215 /nfs/dbraw/zinc/27/02/15/901270215.db2.gz WGSQILRSJQGCCA-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001264669513 901270226 /nfs/dbraw/zinc/27/02/26/901270226.db2.gz WGSQILRSJQGCCA-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001264669513 901270239 /nfs/dbraw/zinc/27/02/39/901270239.db2.gz WGSQILRSJQGCCA-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001264744414 901325162 /nfs/dbraw/zinc/32/51/62/901325162.db2.gz XEZJUIVFOZDGGX-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001265260169 901785262 /nfs/dbraw/zinc/78/52/62/901785262.db2.gz YQWCHIWHECUFGE-QGZVFWFLSA-N 2 1 322.497 1.171 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001265395275 901967406 /nfs/dbraw/zinc/96/74/06/901967406.db2.gz SHWJRVMULWENLX-DLBZAZTESA-N 2 1 307.482 1.766 20 30 DDEDMP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC001266083956 902908971 /nfs/dbraw/zinc/90/89/71/902908971.db2.gz VCLCMGZBYLKBPJ-CRAIPNDOSA-N 2 1 315.461 1.961 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001266159693 903042632 /nfs/dbraw/zinc/04/26/32/903042632.db2.gz ZLBDYZSNRPCSLT-SFHVURJKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001266159693 903042649 /nfs/dbraw/zinc/04/26/49/903042649.db2.gz ZLBDYZSNRPCSLT-SFHVURJKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001266159693 903042667 /nfs/dbraw/zinc/04/26/67/903042667.db2.gz ZLBDYZSNRPCSLT-SFHVURJKSA-N 2 1 323.456 1.803 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001281893323 905295527 /nfs/dbraw/zinc/29/55/27/905295527.db2.gz OFTPJJKELFFBHG-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001281893323 905295533 /nfs/dbraw/zinc/29/55/33/905295533.db2.gz OFTPJJKELFFBHG-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCCC ZINC001282306888 905672294 /nfs/dbraw/zinc/67/22/94/905672294.db2.gz PDPWHUJLOSVHKJ-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCCC ZINC001282306888 905672299 /nfs/dbraw/zinc/67/22/99/905672299.db2.gz PDPWHUJLOSVHKJ-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCOCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001282968583 906359666 /nfs/dbraw/zinc/35/96/66/906359666.db2.gz VOPXBDPVVJZBJG-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccns1 ZINC001283616723 907684727 /nfs/dbraw/zinc/68/47/27/907684727.db2.gz AVKNJNHWSLANEY-HIFRSBDPSA-N 2 1 320.462 1.177 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001375155638 915133737 /nfs/dbraw/zinc/13/37/37/915133737.db2.gz VBAYVTQGJQHCRU-HNNXBMFYSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCn1cc[nH+]c1C ZINC000329815324 529407940 /nfs/dbraw/zinc/40/79/40/529407940.db2.gz VECDQTROHCDLIB-CABCVRRESA-N 2 1 305.426 1.664 20 30 DDEDMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCn1cc[nH+]c1C ZINC000329815324 529407942 /nfs/dbraw/zinc/40/79/42/529407942.db2.gz VECDQTROHCDLIB-CABCVRRESA-N 2 1 305.426 1.664 20 30 DDEDMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C([O-])=[NH+]CCn1cc[nH+]c1C ZINC000329815324 529407948 /nfs/dbraw/zinc/40/79/48/529407948.db2.gz VECDQTROHCDLIB-CABCVRRESA-N 2 1 305.426 1.664 20 30 DDEDMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C([O-])=[NH+]CCn1cc[nH+]c1C ZINC000329815324 529407949 /nfs/dbraw/zinc/40/79/49/529407949.db2.gz VECDQTROHCDLIB-CABCVRRESA-N 2 1 305.426 1.664 20 30 DDEDMP CN(CC1CC[NH+](C)CC1)C([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330199131 529865160 /nfs/dbraw/zinc/86/51/60/529865160.db2.gz UYOSSHCVPONYNV-CQSZACIVSA-N 2 1 305.426 1.386 20 30 DDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000615779436 362437703 /nfs/dbraw/zinc/43/77/03/362437703.db2.gz BCPVIHZOHBSWPB-UONOGXRCSA-N 2 1 301.394 1.471 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](CCC)CC2)CC1 ZINC000077594225 353477363 /nfs/dbraw/zinc/47/73/63/353477363.db2.gz CIAHWXZWAHBXRU-UHFFFAOYSA-N 2 1 308.470 1.764 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090064911 353788456 /nfs/dbraw/zinc/78/84/56/353788456.db2.gz XLIMEFMMZPUTHO-GDBMZVCRSA-N 2 1 318.421 1.675 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090064911 353788458 /nfs/dbraw/zinc/78/84/58/353788458.db2.gz XLIMEFMMZPUTHO-GDBMZVCRSA-N 2 1 318.421 1.675 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595992382 356738652 /nfs/dbraw/zinc/73/86/52/356738652.db2.gz PWTQYMCRMYSNNX-HZPDHXFCSA-N 2 1 306.454 1.636 20 30 DDEDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1C ZINC000599313696 357889124 /nfs/dbraw/zinc/88/91/24/357889124.db2.gz FOUGXQVCAGEHAL-IKGGRYGDSA-N 2 1 323.481 1.862 20 30 DDEDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1C ZINC000599313696 357889128 /nfs/dbraw/zinc/88/91/28/357889128.db2.gz FOUGXQVCAGEHAL-IKGGRYGDSA-N 2 1 323.481 1.862 20 30 DDEDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1C ZINC000599313696 357889131 /nfs/dbraw/zinc/88/91/31/357889131.db2.gz FOUGXQVCAGEHAL-IKGGRYGDSA-N 2 1 323.481 1.862 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602485076 359010265 /nfs/dbraw/zinc/01/02/65/359010265.db2.gz PKNBVEWSAVNTQX-SFHVURJKSA-N 2 1 313.449 1.554 20 30 DDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602485076 359010269 /nfs/dbraw/zinc/01/02/69/359010269.db2.gz PKNBVEWSAVNTQX-SFHVURJKSA-N 2 1 313.449 1.554 20 30 DDEDMP C[C@@H](CCC#N)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000602660123 359106525 /nfs/dbraw/zinc/10/65/25/359106525.db2.gz YWOAXJXDMRBUMG-HNNXBMFYSA-N 2 1 306.454 1.412 20 30 DDEDMP C[NH+](C)CC1(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CCCC1 ZINC000566241443 304131960 /nfs/dbraw/zinc/13/19/60/304131960.db2.gz AZMDBENIZYDQKX-UHFFFAOYSA-N 2 1 312.421 1.813 20 30 DDEDMP CCNC(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)=[NH+]CC ZINC000272903679 408017204 /nfs/dbraw/zinc/01/72/04/408017204.db2.gz KEPADRMIQMLOLR-INIZCTEOSA-N 2 1 304.438 1.328 20 30 DDEDMP CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158473753 408343437 /nfs/dbraw/zinc/34/34/37/408343437.db2.gz LACVUIUSPWHVNJ-DZGCQCFKSA-N 2 1 306.458 1.204 20 30 DDEDMP C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000295023363 409308575 /nfs/dbraw/zinc/30/85/75/409308575.db2.gz NWYLZCUDNGSSHN-AWEZNQCLSA-N 2 1 308.447 1.696 20 30 DDEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000295023363 409308576 /nfs/dbraw/zinc/30/85/76/409308576.db2.gz NWYLZCUDNGSSHN-AWEZNQCLSA-N 2 1 308.447 1.696 20 30 DDEDMP CNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(OC)cc1)=[NH+]C ZINC000304217267 409579614 /nfs/dbraw/zinc/57/96/14/409579614.db2.gz HCVXIPSFCGFZEC-HOCLYGCPSA-N 2 1 304.438 1.873 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000328191193 409928694 /nfs/dbraw/zinc/92/86/94/409928694.db2.gz QEFJQEVXCINFES-KRWDZBQOSA-N 2 1 304.434 1.588 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000328191193 409928702 /nfs/dbraw/zinc/92/87/02/409928702.db2.gz QEFJQEVXCINFES-KRWDZBQOSA-N 2 1 304.434 1.588 20 30 DDEDMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC#CCN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000341921701 411084182 /nfs/dbraw/zinc/08/41/82/411084182.db2.gz MLCMVDSEQARHPS-USTZCAOPSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC#CCN1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000341921701 411084190 /nfs/dbraw/zinc/08/41/90/411084190.db2.gz MLCMVDSEQARHPS-USTZCAOPSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC#CCN1C[C@H](C)[NH+](C)C[C@@H]1C ZINC000341921701 411084195 /nfs/dbraw/zinc/08/41/95/411084195.db2.gz MLCMVDSEQARHPS-USTZCAOPSA-N 2 1 306.498 1.039 20 30 DDEDMP C[NH+]=C(NCc1sc(C)nc1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261656803 222252819 /nfs/dbraw/zinc/25/28/19/222252819.db2.gz AEPPFABDAFACOP-HZMBPMFUSA-N 2 1 321.494 1.908 20 30 DDEDMP CC[NH+]=C(NCc1ccnc(C)n1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261947016 222262882 /nfs/dbraw/zinc/26/28/82/222262882.db2.gz GEWJWGQXVHTZGY-MLGOLLRUSA-N 2 1 316.453 1.323 20 30 DDEDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H]2CCCn3ccnc32)C1 ZINC000328597725 418606178 /nfs/dbraw/zinc/60/61/78/418606178.db2.gz ALGVVLCQMARGJW-ILXRZTDVSA-N 2 1 319.453 1.993 20 30 DDEDMP C[NH+]=C(NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)NC1CC1 ZINC000264044590 222310742 /nfs/dbraw/zinc/31/07/42/222310742.db2.gz KBSNGKQWSSEYDO-AWEZNQCLSA-N 2 1 316.449 1.735 20 30 DDEDMP C[NH+]=C(NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)NC1CC1 ZINC000264044590 222310746 /nfs/dbraw/zinc/31/07/46/222310746.db2.gz KBSNGKQWSSEYDO-AWEZNQCLSA-N 2 1 316.449 1.735 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264110372 222319496 /nfs/dbraw/zinc/31/94/96/222319496.db2.gz QOXHSMSIPYCRFQ-HNNXBMFYSA-N 2 1 316.449 1.888 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264110372 222319499 /nfs/dbraw/zinc/31/94/99/222319499.db2.gz QOXHSMSIPYCRFQ-HNNXBMFYSA-N 2 1 316.449 1.888 20 30 DDEDMP C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527377479 421383406 /nfs/dbraw/zinc/38/34/06/421383406.db2.gz XBXMZWGABHCPEY-LSDHHAIUSA-N 2 1 318.465 1.791 20 30 DDEDMP C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000527377479 421383410 /nfs/dbraw/zinc/38/34/10/421383410.db2.gz XBXMZWGABHCPEY-LSDHHAIUSA-N 2 1 318.465 1.791 20 30 DDEDMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000573914249 422035633 /nfs/dbraw/zinc/03/56/33/422035633.db2.gz WTWVOXVFKQKYBT-MRXNPFEDSA-N 2 1 314.389 1.287 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000576178181 422371735 /nfs/dbraw/zinc/37/17/35/422371735.db2.gz ASKMUQWZBQSYOK-BRSBDYLESA-N 2 1 308.466 1.460 20 30 DDEDMP C=CC[C@H](CO)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720529 422587290 /nfs/dbraw/zinc/58/72/90/422587290.db2.gz LEAJQEDJOZEDDS-ROUUACIJSA-N 2 1 304.434 1.398 20 30 DDEDMP C=CC[C@H](CO)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720529 422587298 /nfs/dbraw/zinc/58/72/98/422587298.db2.gz LEAJQEDJOZEDDS-ROUUACIJSA-N 2 1 304.434 1.398 20 30 DDEDMP C=CC[C@]1(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000662795878 424770903 /nfs/dbraw/zinc/77/09/03/424770903.db2.gz DZUAWQLKSWYDAT-GOSISDBHSA-N 2 1 323.481 1.502 20 30 DDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000344279192 335235536 /nfs/dbraw/zinc/23/55/36/335235536.db2.gz ZJOZGECNZCDSDH-UHFFFAOYSA-N 2 1 308.470 1.849 20 30 DDEDMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCC[NH2+]1 ZINC000663002311 484593834 /nfs/dbraw/zinc/59/38/34/484593834.db2.gz CZDVNOZNRZPIGN-AEFFLSMTSA-N 2 1 305.466 1.923 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000671242439 484979800 /nfs/dbraw/zinc/97/98/00/484979800.db2.gz UNYFFNHVYMMCGK-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000671242439 484979809 /nfs/dbraw/zinc/97/98/09/484979809.db2.gz UNYFFNHVYMMCGK-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP CC[NH+]1CCN(CC#CCN2CC[N@@H+](CC)[C@H](C)C2)C[C@@H]1C ZINC000671242439 484979817 /nfs/dbraw/zinc/97/98/17/484979817.db2.gz UNYFFNHVYMMCGK-HDICACEKSA-N 2 1 306.498 1.042 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000491642199 526805784 /nfs/dbraw/zinc/80/57/84/526805784.db2.gz ACLFWSXDBZWVMW-QGZVFWFLSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000491297253 526812862 /nfs/dbraw/zinc/81/28/62/526812862.db2.gz PMBVNJGBLJXXDT-CVEARBPZSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(C)ccc1Cl ZINC000491694232 526826560 /nfs/dbraw/zinc/82/65/60/526826560.db2.gz FCSWFCVHLBDSBY-OAHLLOKOSA-N 2 1 324.852 1.933 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(C)ccc1Cl ZINC000491694232 526826566 /nfs/dbraw/zinc/82/65/66/526826566.db2.gz FCSWFCVHLBDSBY-OAHLLOKOSA-N 2 1 324.852 1.933 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971953530 695129308 /nfs/dbraw/zinc/12/93/08/695129308.db2.gz SYGHRMACQIMGQM-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971953530 695129310 /nfs/dbraw/zinc/12/93/10/695129310.db2.gz SYGHRMACQIMGQM-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972419929 695245054 /nfs/dbraw/zinc/24/50/54/695245054.db2.gz KWCKTYMGAYRHKV-WMZOPIPTSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)C1 ZINC000972553106 695280641 /nfs/dbraw/zinc/28/06/41/695280641.db2.gz ZCOVOLHHEORCKJ-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000972553106 695280642 /nfs/dbraw/zinc/28/06/42/695280642.db2.gz ZCOVOLHHEORCKJ-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553106 695280645 /nfs/dbraw/zinc/28/06/45/695280645.db2.gz ZCOVOLHHEORCKJ-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000972553106 695280646 /nfs/dbraw/zinc/28/06/46/695280646.db2.gz ZCOVOLHHEORCKJ-AEFFLSMTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972555311 695281325 /nfs/dbraw/zinc/28/13/25/695281325.db2.gz XONXVXDRFZIRKA-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974946263 695764200 /nfs/dbraw/zinc/76/42/00/695764200.db2.gz LKYSKHJBZUXYCT-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946263 695764202 /nfs/dbraw/zinc/76/42/02/695764202.db2.gz LKYSKHJBZUXYCT-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974946263 695764204 /nfs/dbraw/zinc/76/42/04/695764204.db2.gz LKYSKHJBZUXYCT-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000977595780 696227713 /nfs/dbraw/zinc/22/77/13/696227713.db2.gz PPIGVGPXTONEOQ-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000977595780 696227715 /nfs/dbraw/zinc/22/77/15/696227715.db2.gz PPIGVGPXTONEOQ-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC000978418961 696379622 /nfs/dbraw/zinc/37/96/22/696379622.db2.gz YNHYNBNBLXQGOM-OSYLJGHBSA-N 2 1 310.401 1.818 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@]2(CCOC2)C1 ZINC000158041372 696985312 /nfs/dbraw/zinc/98/53/12/696985312.db2.gz HBXVQVCFUWKKCQ-YOEHRIQHSA-N 2 1 306.454 1.159 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982235549 697068655 /nfs/dbraw/zinc/06/86/55/697068655.db2.gz VZGLGWFQFZJGHC-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982235549 697068658 /nfs/dbraw/zinc/06/86/58/697068658.db2.gz VZGLGWFQFZJGHC-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982235549 697068661 /nfs/dbraw/zinc/06/86/61/697068661.db2.gz VZGLGWFQFZJGHC-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553790 697149401 /nfs/dbraw/zinc/14/94/01/697149401.db2.gz QHPHDMZZHIMSIE-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553790 697149402 /nfs/dbraw/zinc/14/94/02/697149402.db2.gz QHPHDMZZHIMSIE-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@]2(C)C1 ZINC000982553790 697149403 /nfs/dbraw/zinc/14/94/03/697149403.db2.gz QHPHDMZZHIMSIE-RYQLBKOJSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3cncn3C)C[C@@]2(C)C1 ZINC000982734648 697174380 /nfs/dbraw/zinc/17/43/80/697174380.db2.gz AUPFVSXKOPTRLF-HDICACEKSA-N 2 1 316.449 1.709 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000985432416 697510612 /nfs/dbraw/zinc/51/06/12/697510612.db2.gz FNIWMQNFKGFAIA-QGZVFWFLSA-N 2 1 305.466 1.827 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262782204 698480186 /nfs/dbraw/zinc/48/01/86/698480186.db2.gz LNICZXHICHSCRK-KMFMINBZSA-N 2 1 308.470 1.329 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262782204 698480187 /nfs/dbraw/zinc/48/01/87/698480187.db2.gz LNICZXHICHSCRK-KMFMINBZSA-N 2 1 308.470 1.329 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000303772883 698606551 /nfs/dbraw/zinc/60/65/51/698606551.db2.gz DUHZCLDHYSRQBI-IAGOWNOFSA-N 3 1 323.529 1.886 20 30 DDEDMP CC(C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000303891251 698609782 /nfs/dbraw/zinc/60/97/82/698609782.db2.gz QMOJTXLWVQTEQX-AWEZNQCLSA-N 2 1 304.438 1.720 20 30 DDEDMP CC(C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000303891251 698609784 /nfs/dbraw/zinc/60/97/84/698609784.db2.gz QMOJTXLWVQTEQX-AWEZNQCLSA-N 2 1 304.438 1.720 20 30 DDEDMP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000304072367 698615134 /nfs/dbraw/zinc/61/51/34/698615134.db2.gz VSJXJECXSGQWLL-ZBFHGGJFSA-N 2 1 304.438 1.590 20 30 DDEDMP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000304072367 698615136 /nfs/dbraw/zinc/61/51/36/698615136.db2.gz VSJXJECXSGQWLL-ZBFHGGJFSA-N 2 1 304.438 1.590 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990638339 699117406 /nfs/dbraw/zinc/11/74/06/699117406.db2.gz MFKNIMUSTGKPNG-LZLYRXPVSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990638339 699117409 /nfs/dbraw/zinc/11/74/09/699117409.db2.gz MFKNIMUSTGKPNG-LZLYRXPVSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990638339 699117411 /nfs/dbraw/zinc/11/74/11/699117411.db2.gz MFKNIMUSTGKPNG-LZLYRXPVSA-N 2 1 303.450 1.606 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852858743 704150779 /nfs/dbraw/zinc/15/07/79/704150779.db2.gz IGNBGOHRKWNWON-UHFFFAOYSA-N 2 1 309.373 1.517 20 30 DDEDMP C=C(C)[C@H](CO)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856585428 704532867 /nfs/dbraw/zinc/53/28/67/704532867.db2.gz DWLREZMCXADLKD-ROUUACIJSA-N 2 1 319.449 1.923 20 30 DDEDMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585428 704532868 /nfs/dbraw/zinc/53/28/68/704532868.db2.gz DWLREZMCXADLKD-ROUUACIJSA-N 2 1 319.449 1.923 20 30 DDEDMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856585428 704532869 /nfs/dbraw/zinc/53/28/69/704532869.db2.gz DWLREZMCXADLKD-ROUUACIJSA-N 2 1 319.449 1.923 20 30 DDEDMP CCNc1ccccc1C=[NH+]NC(=S)NCCC[NH+](C)C ZINC000872351623 707387195 /nfs/dbraw/zinc/38/71/95/707387195.db2.gz JZICPMMIDYTKFJ-UHFFFAOYSA-N 2 1 307.467 1.868 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000836346292 707443894 /nfs/dbraw/zinc/44/38/94/707443894.db2.gz QDTXIKOKOWFUAU-WMZOPIPTSA-N 2 1 322.497 1.751 20 30 DDEDMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1cccc(C#N)c1=O ZINC000872743924 707581198 /nfs/dbraw/zinc/58/11/98/707581198.db2.gz MAQCMLVQVAILNL-UHFFFAOYSA-N 2 1 316.449 1.977 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC[NH+](C)CC1 ZINC000886572207 708778597 /nfs/dbraw/zinc/77/85/97/708778597.db2.gz CLGKECXBZGESQS-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000900340508 709546567 /nfs/dbraw/zinc/54/65/67/709546567.db2.gz ZDZXGYWZRVEHAA-UHFFFAOYSA-N 3 1 317.437 1.280 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000890363125 709836091 /nfs/dbraw/zinc/83/60/91/709836091.db2.gz KTPQLQRHDZTEDE-CVEARBPZSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000890363125 709836096 /nfs/dbraw/zinc/83/60/96/709836096.db2.gz KTPQLQRHDZTEDE-CVEARBPZSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)C1 ZINC000890363125 709836101 /nfs/dbraw/zinc/83/61/01/709836101.db2.gz KTPQLQRHDZTEDE-CVEARBPZSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)C1 ZINC000890363125 709836106 /nfs/dbraw/zinc/83/61/06/709836106.db2.gz KTPQLQRHDZTEDE-CVEARBPZSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000890365081 709838801 /nfs/dbraw/zinc/83/88/01/709838801.db2.gz OONCQYFQJPZOIH-IKGGRYGDSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000890365081 709838806 /nfs/dbraw/zinc/83/88/06/709838806.db2.gz OONCQYFQJPZOIH-IKGGRYGDSA-N 2 1 318.465 1.352 20 30 DDEDMP C[NH+]1CCC(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000894584781 711194260 /nfs/dbraw/zinc/19/42/60/711194260.db2.gz DVQCMIPYBHWMDL-MRXNPFEDSA-N 2 1 300.406 1.748 20 30 DDEDMP C[C@H](CNC(NC(C)(C)C)=[NH+]CC1CC1)CN1CC[NH+](C)CC1 ZINC000912505330 711357156 /nfs/dbraw/zinc/35/71/56/711357156.db2.gz BFVIIBNRFRQEAI-OAHLLOKOSA-N 2 1 323.529 1.614 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2)CC1 ZINC000905788224 712146609 /nfs/dbraw/zinc/14/66/09/712146609.db2.gz KNXQZOKVOTYTMV-QGZVFWFLSA-N 2 1 311.433 1.972 20 30 DDEDMP C#CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000917897805 713518434 /nfs/dbraw/zinc/51/84/34/713518434.db2.gz DDNYCIHLWMOPHB-QGZVFWFLSA-N 2 1 320.481 1.600 20 30 DDEDMP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)CC3(C#N)CCOCC3)C[C@@]2(C)C1 ZINC000931316761 714064922 /nfs/dbraw/zinc/06/49/22/714064922.db2.gz KBKWBOKKJXWKJZ-BRWVUGGUSA-N 2 1 321.465 1.331 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000922852522 714166848 /nfs/dbraw/zinc/16/68/48/714166848.db2.gz KRIBRVNDOJOLPD-HNNXBMFYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000923125414 714245232 /nfs/dbraw/zinc/24/52/32/714245232.db2.gz CDSVVKUBFXEPTH-IRXDYDNUSA-N 2 1 318.465 1.400 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366225 714329257 /nfs/dbraw/zinc/32/92/57/714329257.db2.gz IFCQMCWGWHXKPZ-WMZOPIPTSA-N 2 1 315.417 1.373 20 30 DDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000923366225 714329258 /nfs/dbraw/zinc/32/92/58/714329258.db2.gz IFCQMCWGWHXKPZ-WMZOPIPTSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](NC(C)=O)c1ccccc1F ZINC000926490631 715076178 /nfs/dbraw/zinc/07/61/78/715076178.db2.gz PNOYNPQMLWQTMQ-RDTXWAMCSA-N 2 1 319.424 1.936 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](NC(C)=O)c1ccccc1F ZINC000926490631 715076181 /nfs/dbraw/zinc/07/61/81/715076181.db2.gz PNOYNPQMLWQTMQ-RDTXWAMCSA-N 2 1 319.424 1.936 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960267312 716474099 /nfs/dbraw/zinc/47/40/99/716474099.db2.gz AMWBHIMTPCKJMK-MOIQIXESSA-N 2 1 311.429 1.332 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000961281874 716894730 /nfs/dbraw/zinc/89/47/30/716894730.db2.gz IJKJQBUHLBQDEE-IAGOWNOFSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863934 717001171 /nfs/dbraw/zinc/00/11/71/717001171.db2.gz IIVCEYXPNRMZOD-OAHLLOKOSA-N 2 1 303.450 1.465 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000961582080 717014761 /nfs/dbraw/zinc/01/47/61/717014761.db2.gz PLXGPVIELYFYDS-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000961582080 717014764 /nfs/dbraw/zinc/01/47/64/717014764.db2.gz PLXGPVIELYFYDS-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961582080 717014766 /nfs/dbraw/zinc/01/47/66/717014766.db2.gz PLXGPVIELYFYDS-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000961582080 717014768 /nfs/dbraw/zinc/01/47/68/717014768.db2.gz PLXGPVIELYFYDS-TWMKSMIVSA-N 2 1 321.465 1.108 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941032968 717081562 /nfs/dbraw/zinc/08/15/62/717081562.db2.gz KKJBIIIULVWPOJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941032968 717081565 /nfs/dbraw/zinc/08/15/65/717081565.db2.gz KKJBIIIULVWPOJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941032968 717081569 /nfs/dbraw/zinc/08/15/69/717081569.db2.gz KKJBIIIULVWPOJ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216170 717132114 /nfs/dbraw/zinc/13/21/14/717132114.db2.gz CJWMHYQOBRMGDE-ZIAGYGMSSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941216170 717132115 /nfs/dbraw/zinc/13/21/15/717132115.db2.gz CJWMHYQOBRMGDE-ZIAGYGMSSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216170 717132116 /nfs/dbraw/zinc/13/21/16/717132116.db2.gz CJWMHYQOBRMGDE-ZIAGYGMSSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941216170 717132117 /nfs/dbraw/zinc/13/21/17/717132117.db2.gz CJWMHYQOBRMGDE-ZIAGYGMSSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941229475 717134754 /nfs/dbraw/zinc/13/47/54/717134754.db2.gz APJGXDAMGWETCU-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941229475 717134756 /nfs/dbraw/zinc/13/47/56/717134756.db2.gz APJGXDAMGWETCU-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941229475 717134757 /nfs/dbraw/zinc/13/47/57/717134757.db2.gz APJGXDAMGWETCU-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229475 717134758 /nfs/dbraw/zinc/13/47/58/717134758.db2.gz APJGXDAMGWETCU-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941229475 717134759 /nfs/dbraw/zinc/13/47/59/717134759.db2.gz APJGXDAMGWETCU-JKSUJKDBSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942258911 717582976 /nfs/dbraw/zinc/58/29/76/717582976.db2.gz QLLCFDNHTCZURT-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)C[C@H]2C)CC1 ZINC000945176993 718414582 /nfs/dbraw/zinc/41/45/82/718414582.db2.gz AGOTTZSBTAAMSD-SJLPKXTDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623890 718856690 /nfs/dbraw/zinc/85/66/90/718856690.db2.gz SCWOWSODGMYDQP-KSZLIROESA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCF)CC[C@@H]2C)CC1 ZINC000968681245 719733671 /nfs/dbraw/zinc/73/36/71/719733671.db2.gz HZAVDZSQIYXLJV-GOEBONIOSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCF)CC[C@@H]2C)CC1 ZINC000968681245 719733672 /nfs/dbraw/zinc/73/36/72/719733672.db2.gz HZAVDZSQIYXLJV-GOEBONIOSA-N 2 1 309.429 1.128 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189375 719949719 /nfs/dbraw/zinc/94/97/19/719949719.db2.gz SJFABOCBJCBTBQ-CVEARBPZSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000949904601 720410534 /nfs/dbraw/zinc/41/05/34/720410534.db2.gz VEHBCSZXFODXDZ-INIZCTEOSA-N 2 1 316.449 1.864 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)(C)C)C1 ZINC000969865241 720540619 /nfs/dbraw/zinc/54/06/19/720540619.db2.gz MZGOTSXFLSCIJK-RDJZCZTQSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(C)(C)C)C1 ZINC000969865241 720540622 /nfs/dbraw/zinc/54/06/22/720540622.db2.gz MZGOTSXFLSCIJK-RDJZCZTQSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420987 720755136 /nfs/dbraw/zinc/75/51/36/720755136.db2.gz UPUOGTJFLROSLT-TZMCWYRMSA-N 2 1 302.422 1.376 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970528433 720798469 /nfs/dbraw/zinc/79/84/69/720798469.db2.gz FPHRKRIXTIZSFH-DOTOQJQBSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703642 735404977 /nfs/dbraw/zinc/40/49/77/735404977.db2.gz PKFAQXUYIJOHSI-CQSZACIVSA-N 2 1 311.857 1.663 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703642 735404979 /nfs/dbraw/zinc/40/49/79/735404979.db2.gz PKFAQXUYIJOHSI-CQSZACIVSA-N 2 1 311.857 1.663 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001167385623 733364181 /nfs/dbraw/zinc/36/41/81/733364181.db2.gz LIUWTEQBOQKEIB-MRXNPFEDSA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001022197086 734430357 /nfs/dbraw/zinc/43/03/57/734430357.db2.gz XRRPKUSNQILICU-UXLLHSPISA-N 2 1 321.465 1.443 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001022201368 734431274 /nfs/dbraw/zinc/43/12/74/734431274.db2.gz HLQIEQQTRGIETP-FRRDWIJNSA-N 2 1 308.813 1.750 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001027924192 738814529 /nfs/dbraw/zinc/81/45/29/738814529.db2.gz DUDYMWWQTOEKQO-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001027924192 738814533 /nfs/dbraw/zinc/81/45/33/738814533.db2.gz DUDYMWWQTOEKQO-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001027924192 738814534 /nfs/dbraw/zinc/81/45/34/738814534.db2.gz DUDYMWWQTOEKQO-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001098560852 734599560 /nfs/dbraw/zinc/59/95/60/734599560.db2.gz DZTYEVCIGJOQGV-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560852 734599565 /nfs/dbraw/zinc/59/95/65/734599565.db2.gz DZTYEVCIGJOQGV-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001098560852 734599567 /nfs/dbraw/zinc/59/95/67/734599567.db2.gz DZTYEVCIGJOQGV-INIZCTEOSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001167626447 734852587 /nfs/dbraw/zinc/85/25/87/734852587.db2.gz BAHCOXBZKZGBTK-MRXNPFEDSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409916 735214786 /nfs/dbraw/zinc/21/47/86/735214786.db2.gz IUJVAECCNLJFHY-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409916 735214785 /nfs/dbraw/zinc/21/47/85/735214785.db2.gz IUJVAECCNLJFHY-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409916 735214790 /nfs/dbraw/zinc/21/47/90/735214790.db2.gz IUJVAECCNLJFHY-IRXDYDNUSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027981546 738907824 /nfs/dbraw/zinc/90/78/24/738907824.db2.gz CNVRQPODEZEGJV-HNNXBMFYSA-N 2 1 310.401 1.860 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1cnc[nH]1 ZINC001087306833 736012037 /nfs/dbraw/zinc/01/20/37/736012037.db2.gz OYXGBRIMCHAADR-HYVNUMGLSA-N 2 1 314.433 1.581 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024810035 736102731 /nfs/dbraw/zinc/10/27/31/736102731.db2.gz ZRUUSRYKCPKYGD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024810035 736102732 /nfs/dbraw/zinc/10/27/32/736102732.db2.gz ZRUUSRYKCPKYGD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024810035 736102733 /nfs/dbraw/zinc/10/27/33/736102733.db2.gz ZRUUSRYKCPKYGD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024810035 736102734 /nfs/dbraw/zinc/10/27/34/736102734.db2.gz ZRUUSRYKCPKYGD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2ccnc2)C1 ZINC001112021553 736537198 /nfs/dbraw/zinc/53/71/98/736537198.db2.gz UQTCDHLDCAMRGU-RDJZCZTQSA-N 2 1 318.421 1.056 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001083284230 736781374 /nfs/dbraw/zinc/78/13/74/736781374.db2.gz YFJRKFMRSCCIAX-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001020150394 736999253 /nfs/dbraw/zinc/99/92/53/736999253.db2.gz SHDLSMNDIUPIKQ-AJNGGQMLSA-N 2 1 311.857 1.850 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105013354 737456250 /nfs/dbraw/zinc/45/62/50/737456250.db2.gz IGRXDIFLEBNYSR-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212894 741109118 /nfs/dbraw/zinc/10/91/18/741109118.db2.gz ZLSDTMDATIYLRM-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]2C1 ZINC001088212894 741109119 /nfs/dbraw/zinc/10/91/19/741109119.db2.gz ZLSDTMDATIYLRM-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001028088926 739016121 /nfs/dbraw/zinc/01/61/21/739016121.db2.gz RFRGYQAEOXLDLI-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088926 739016125 /nfs/dbraw/zinc/01/61/25/739016125.db2.gz RFRGYQAEOXLDLI-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001028088926 739016127 /nfs/dbraw/zinc/01/61/27/739016127.db2.gz RFRGYQAEOXLDLI-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CN1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035375942 751433130 /nfs/dbraw/zinc/43/31/30/751433130.db2.gz MTYZIPCSFATRFT-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CC(=C)Cl)C2)CC1 ZINC001029002315 740247529 /nfs/dbraw/zinc/24/75/29/740247529.db2.gz ODAVZNUUVMNSGQ-OAHLLOKOSA-N 2 1 323.868 1.522 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001029002315 740247533 /nfs/dbraw/zinc/24/75/33/740247533.db2.gz ODAVZNUUVMNSGQ-OAHLLOKOSA-N 2 1 323.868 1.522 20 30 DDEDMP C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001035482901 751537148 /nfs/dbraw/zinc/53/71/48/751537148.db2.gz FGPUEYLJJCYXMH-JYJNAYRXSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1CC ZINC001087660608 740699037 /nfs/dbraw/zinc/69/90/37/740699037.db2.gz UFINSAWAYMQVHW-JKSUJKDBSA-N 2 1 316.449 1.917 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1CC ZINC001087660608 740699038 /nfs/dbraw/zinc/69/90/38/740699038.db2.gz UFINSAWAYMQVHW-JKSUJKDBSA-N 2 1 316.449 1.917 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087725895 740722842 /nfs/dbraw/zinc/72/28/42/740722842.db2.gz JIDOYIALDUAPHN-BHYGNILZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087725895 740722843 /nfs/dbraw/zinc/72/28/43/740722843.db2.gz JIDOYIALDUAPHN-BHYGNILZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998191271 751583097 /nfs/dbraw/zinc/58/30/97/751583097.db2.gz UGCZXCNDESFXQG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998191271 751583101 /nfs/dbraw/zinc/58/31/01/751583101.db2.gz UGCZXCNDESFXQG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998191271 751583107 /nfs/dbraw/zinc/58/31/07/751583107.db2.gz UGCZXCNDESFXQG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998191271 751583110 /nfs/dbraw/zinc/58/31/10/751583110.db2.gz UGCZXCNDESFXQG-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001088323684 741385978 /nfs/dbraw/zinc/38/59/78/741385978.db2.gz VTTGVLLSOOHAJC-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001088329728 741394209 /nfs/dbraw/zinc/39/42/09/741394209.db2.gz FXVNQWSUVNCMPT-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752484 742287185 /nfs/dbraw/zinc/28/71/85/742287185.db2.gz QMLSEIBCTYUNRZ-CABCVRRESA-N 2 1 314.433 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088752484 742287187 /nfs/dbraw/zinc/28/71/87/742287187.db2.gz QMLSEIBCTYUNRZ-CABCVRRESA-N 2 1 314.433 1.364 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001076462487 742745938 /nfs/dbraw/zinc/74/59/38/742745938.db2.gz WUNRTHJZBHVAQC-GOEBONIOSA-N 2 1 302.422 1.462 20 30 DDEDMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C#Cc1ccc(OC)cc1 ZINC001182050377 743460822 /nfs/dbraw/zinc/46/08/22/743460822.db2.gz ALQGUVLXULTOAC-UHFFFAOYSA-N 2 1 316.405 1.111 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001182384876 743586839 /nfs/dbraw/zinc/58/68/39/743586839.db2.gz KXBQPFJDIJFZPJ-SOLBZPMBSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001182384876 743586842 /nfs/dbraw/zinc/58/68/42/743586842.db2.gz KXBQPFJDIJFZPJ-SOLBZPMBSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001183464963 743842891 /nfs/dbraw/zinc/84/28/91/743842891.db2.gz JHTJGYRHSBMVKA-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001183464963 743842895 /nfs/dbraw/zinc/84/28/95/743842895.db2.gz JHTJGYRHSBMVKA-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001185761037 744281959 /nfs/dbraw/zinc/28/19/59/744281959.db2.gz FSCIYHUVWXHUMI-SJORKVTESA-N 2 1 323.481 1.051 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992141410 744631666 /nfs/dbraw/zinc/63/16/66/744631666.db2.gz XLSMWROXOZQWOD-DWRORGKVSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992141410 744631668 /nfs/dbraw/zinc/63/16/68/744631668.db2.gz XLSMWROXOZQWOD-DWRORGKVSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992141410 744631670 /nfs/dbraw/zinc/63/16/70/744631670.db2.gz XLSMWROXOZQWOD-DWRORGKVSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654294 745286113 /nfs/dbraw/zinc/28/61/13/745286113.db2.gz JKUJFSGGEXIANI-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001190654294 745286116 /nfs/dbraw/zinc/28/61/16/745286116.db2.gz JKUJFSGGEXIANI-CABCVRRESA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191028868 745408232 /nfs/dbraw/zinc/40/82/32/745408232.db2.gz DXQGWYBGKSCNLC-INIZCTEOSA-N 2 1 300.406 1.074 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001191551974 745547866 /nfs/dbraw/zinc/54/78/66/745547866.db2.gz RMHNAEPUUHQTMS-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001191551974 745547869 /nfs/dbraw/zinc/54/78/69/745547869.db2.gz RMHNAEPUUHQTMS-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001191551974 745547870 /nfs/dbraw/zinc/54/78/70/745547870.db2.gz RMHNAEPUUHQTMS-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352172 745621467 /nfs/dbraw/zinc/62/14/67/745621467.db2.gz HBCIWJODTFVOBG-CHWSQXEVSA-N 2 1 306.410 1.220 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001192141158 745709904 /nfs/dbraw/zinc/70/99/04/745709904.db2.gz BVURKBREXABUQS-SFHVURJKSA-N 2 1 313.445 1.523 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570860 745804929 /nfs/dbraw/zinc/80/49/29/745804929.db2.gz BXBVGVSHVPOQBB-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192859092 745918961 /nfs/dbraw/zinc/91/89/61/745918961.db2.gz VLMLOQMHFUHBDF-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001192859092 745918965 /nfs/dbraw/zinc/91/89/65/745918965.db2.gz VLMLOQMHFUHBDF-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352526 746095745 /nfs/dbraw/zinc/09/57/45/746095745.db2.gz STGHYOCVJQVVBD-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352526 746095750 /nfs/dbraw/zinc/09/57/50/746095750.db2.gz STGHYOCVJQVVBD-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352526 746095752 /nfs/dbraw/zinc/09/57/52/746095752.db2.gz STGHYOCVJQVVBD-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352526 746095757 /nfs/dbraw/zinc/09/57/57/746095757.db2.gz STGHYOCVJQVVBD-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429825 746383879 /nfs/dbraw/zinc/38/38/79/746383879.db2.gz NJPPJDXKIXNMTO-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196366586 746859363 /nfs/dbraw/zinc/85/93/63/746859363.db2.gz NDWWTJBFSXVVCP-UHFFFAOYSA-N 2 1 314.433 1.466 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC001196366586 746859368 /nfs/dbraw/zinc/85/93/68/746859368.db2.gz NDWWTJBFSXVVCP-UHFFFAOYSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001089562392 747224489 /nfs/dbraw/zinc/22/44/89/747224489.db2.gz CRXCPEATDTXZSM-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003775116 747484887 /nfs/dbraw/zinc/48/48/87/747484887.db2.gz NMIUISSOMLSHGP-SJORKVTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001031741276 747631264 /nfs/dbraw/zinc/63/12/64/747631264.db2.gz VHBKUTLIOSTPEQ-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC(C)(C)C)C1 ZINC001031741276 747631266 /nfs/dbraw/zinc/63/12/66/747631266.db2.gz VHBKUTLIOSTPEQ-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634601 748297775 /nfs/dbraw/zinc/29/77/75/748297775.db2.gz HCBCUWTTWLTBIY-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558784 748544952 /nfs/dbraw/zinc/54/49/52/748544952.db2.gz PGQFJTKZPIQOGU-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001202504704 749013278 /nfs/dbraw/zinc/01/32/78/749013278.db2.gz VRZHDJGGGNGYRY-SFHVURJKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001114445185 749219877 /nfs/dbraw/zinc/21/98/77/749219877.db2.gz LKUJODRXABQTHC-VVLHAWIVSA-N 2 1 314.433 1.540 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033472584 749417797 /nfs/dbraw/zinc/41/77/97/749417797.db2.gz YMNAXNHAPQMFSC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472584 749417799 /nfs/dbraw/zinc/41/77/99/749417799.db2.gz YMNAXNHAPQMFSC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033472584 749417801 /nfs/dbraw/zinc/41/78/01/749417801.db2.gz YMNAXNHAPQMFSC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001154123413 749539453 /nfs/dbraw/zinc/53/94/53/749539453.db2.gz YUODKFDOIMQDCW-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001154123413 749539458 /nfs/dbraw/zinc/53/94/58/749539458.db2.gz YUODKFDOIMQDCW-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001154123413 749539460 /nfs/dbraw/zinc/53/94/60/749539460.db2.gz YUODKFDOIMQDCW-SJORKVTESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001033684612 749712662 /nfs/dbraw/zinc/71/26/62/749712662.db2.gz OZVNFVMHIHINAI-AEFFLSMTSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001033825384 749934610 /nfs/dbraw/zinc/93/46/10/749934610.db2.gz DWJYZGYZVKVHIW-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001033825384 749934611 /nfs/dbraw/zinc/93/46/11/749934611.db2.gz DWJYZGYZVKVHIW-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033825384 749934615 /nfs/dbraw/zinc/93/46/15/749934615.db2.gz DWJYZGYZVKVHIW-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033831481 749953738 /nfs/dbraw/zinc/95/37/38/749953738.db2.gz WWUDEGJYTMUSBH-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005392160 749960952 /nfs/dbraw/zinc/96/09/52/749960952.db2.gz XTWLZCRDNMQEAT-WMZOPIPTSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996713892 749962185 /nfs/dbraw/zinc/96/21/85/749962185.db2.gz YSAWXLFYVRNPFR-TZMCWYRMSA-N 2 1 315.845 1.039 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996713892 749962188 /nfs/dbraw/zinc/96/21/88/749962188.db2.gz YSAWXLFYVRNPFR-TZMCWYRMSA-N 2 1 315.845 1.039 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450783 749974663 /nfs/dbraw/zinc/97/46/63/749974663.db2.gz MSJZBAWQWDGKCP-JFIYKMOQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033856200 749995261 /nfs/dbraw/zinc/99/52/61/749995261.db2.gz SAKNJFVPRHHJGI-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001033856200 749995266 /nfs/dbraw/zinc/99/52/66/749995266.db2.gz SAKNJFVPRHHJGI-CABCVRRESA-N 2 1 302.422 1.869 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095530818 750014631 /nfs/dbraw/zinc/01/46/31/750014631.db2.gz VKUQZWUDXRKXLJ-MHORFTMASA-N 2 1 317.477 1.709 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000996749225 750032304 /nfs/dbraw/zinc/03/23/04/750032304.db2.gz ZCUPCANLKSQKLI-UHFFFAOYSA-N 2 1 306.410 1.507 20 30 DDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001128773552 750083557 /nfs/dbraw/zinc/08/35/57/750083557.db2.gz BEXZCXVJKKBYQC-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095684500 750141594 /nfs/dbraw/zinc/14/15/94/750141594.db2.gz IFCLRSCVPPZACI-PMPSAXMXSA-N 2 1 303.450 1.912 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001033932802 750154320 /nfs/dbraw/zinc/15/43/20/750154320.db2.gz SOVLLIDEOORPJI-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932802 750154324 /nfs/dbraw/zinc/15/43/24/750154324.db2.gz SOVLLIDEOORPJI-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932802 750154326 /nfs/dbraw/zinc/15/43/26/750154326.db2.gz SOVLLIDEOORPJI-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932802 750154336 /nfs/dbraw/zinc/15/43/36/750154336.db2.gz SOVLLIDEOORPJI-DLBZAZTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN1CCOCC1)C2 ZINC001111153414 750394762 /nfs/dbraw/zinc/39/47/62/750394762.db2.gz KCCTZJGMCXKJTG-OAGGEKHMSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153414 750394768 /nfs/dbraw/zinc/39/47/68/750394768.db2.gz KCCTZJGMCXKJTG-OAGGEKHMSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111153414 750394774 /nfs/dbraw/zinc/39/47/74/750394774.db2.gz KCCTZJGMCXKJTG-OAGGEKHMSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001034535554 750537026 /nfs/dbraw/zinc/53/70/26/750537026.db2.gz SGXJJLOPEDYQTK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001034535554 750537031 /nfs/dbraw/zinc/53/70/31/750537031.db2.gz SGXJJLOPEDYQTK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535554 750537035 /nfs/dbraw/zinc/53/70/35/750537035.db2.gz SGXJJLOPEDYQTK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001034535554 750537040 /nfs/dbraw/zinc/53/70/40/750537040.db2.gz SGXJJLOPEDYQTK-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544654 750548634 /nfs/dbraw/zinc/54/86/34/750548634.db2.gz RWGMNFJJILZBRC-KRWDZBQOSA-N 2 1 313.445 1.966 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411721 750634474 /nfs/dbraw/zinc/63/44/74/750634474.db2.gz UHDWMECWKZALJH-HZMVEIRTSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001034734035 750780823 /nfs/dbraw/zinc/78/08/23/750780823.db2.gz HRISXMLOSTVJHP-MPGHIAIKSA-N 2 1 323.456 1.849 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997430671 750924710 /nfs/dbraw/zinc/92/47/10/750924710.db2.gz GWJUNZCCMUIWDB-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997430671 750924712 /nfs/dbraw/zinc/92/47/12/750924712.db2.gz GWJUNZCCMUIWDB-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035227804 751306223 /nfs/dbraw/zinc/30/62/23/751306223.db2.gz ZIWWAUZFOBSYLR-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035227804 751306228 /nfs/dbraw/zinc/30/62/28/751306228.db2.gz ZIWWAUZFOBSYLR-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@H]1C)CC2 ZINC001035227804 751306233 /nfs/dbraw/zinc/30/62/33/751306233.db2.gz ZIWWAUZFOBSYLR-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035259192 751336625 /nfs/dbraw/zinc/33/66/25/751336625.db2.gz VXDBAZWYNVFKTF-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035259192 751336631 /nfs/dbraw/zinc/33/66/31/751336631.db2.gz VXDBAZWYNVFKTF-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035259192 751336636 /nfs/dbraw/zinc/33/66/36/751336636.db2.gz VXDBAZWYNVFKTF-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999165628 752592569 /nfs/dbraw/zinc/59/25/69/752592569.db2.gz UIZNWDFDTPMKDG-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008345194 752684118 /nfs/dbraw/zinc/68/41/18/752684118.db2.gz TYRVYGYBXAJEMX-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008345194 752684120 /nfs/dbraw/zinc/68/41/20/752684120.db2.gz TYRVYGYBXAJEMX-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2C(C)C)C1 ZINC001008741558 752898133 /nfs/dbraw/zinc/89/81/33/752898133.db2.gz XUGZXUBIVGKNGM-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001008741558 752898146 /nfs/dbraw/zinc/89/81/46/752898146.db2.gz XUGZXUBIVGKNGM-OAHLLOKOSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](O)C1 ZINC001090263335 753243876 /nfs/dbraw/zinc/24/38/76/753243876.db2.gz WFMGGOSIVPXZFY-HZPDHXFCSA-N 2 1 323.481 1.378 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040110678 762389606 /nfs/dbraw/zinc/38/96/06/762389606.db2.gz WIGRDJVDKMMMQN-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040110678 762389612 /nfs/dbraw/zinc/38/96/12/762389612.db2.gz WIGRDJVDKMMMQN-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001040110678 762389617 /nfs/dbraw/zinc/38/96/17/762389617.db2.gz WIGRDJVDKMMMQN-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318025 755849340 /nfs/dbraw/zinc/84/93/40/755849340.db2.gz FZGWRNCQKYHMBH-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001080318025 755849349 /nfs/dbraw/zinc/84/93/49/755849349.db2.gz FZGWRNCQKYHMBH-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001080318025 755849356 /nfs/dbraw/zinc/84/93/56/755849356.db2.gz FZGWRNCQKYHMBH-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001080318025 755849360 /nfs/dbraw/zinc/84/93/60/755849360.db2.gz FZGWRNCQKYHMBH-NXHRZFHOSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](F)CC)C[C@H]2C)CC1 ZINC001080997648 756180273 /nfs/dbraw/zinc/18/02/73/756180273.db2.gz IBYYHVOFDRZWRD-DJIMGWMZSA-N 2 1 323.456 1.516 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619937 756418187 /nfs/dbraw/zinc/41/81/87/756418187.db2.gz FYMCQQMGANTEAW-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001015619937 756418189 /nfs/dbraw/zinc/41/81/89/756418189.db2.gz FYMCQQMGANTEAW-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(CN3CCCC3)on2)C1 ZINC001015713856 756489362 /nfs/dbraw/zinc/48/93/62/756489362.db2.gz RUMYXFXTPQWLRM-AWEZNQCLSA-N 2 1 318.421 1.651 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001015713856 756489365 /nfs/dbraw/zinc/48/93/65/756489365.db2.gz RUMYXFXTPQWLRM-AWEZNQCLSA-N 2 1 318.421 1.651 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)[C@H](OC)C1 ZINC001082319966 756736018 /nfs/dbraw/zinc/73/60/18/756736018.db2.gz RCCVCDQXLVRZQP-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@H](OC)C1 ZINC001082319966 756736023 /nfs/dbraw/zinc/73/60/23/756736023.db2.gz RCCVCDQXLVRZQP-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319966 756736026 /nfs/dbraw/zinc/73/60/26/756736026.db2.gz RCCVCDQXLVRZQP-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@H](OC)C1 ZINC001082319966 756736029 /nfs/dbraw/zinc/73/60/29/756736029.db2.gz RCCVCDQXLVRZQP-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703315 756898203 /nfs/dbraw/zinc/89/82/03/756898203.db2.gz LAKZHVGHGXIOMD-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001082703315 756898211 /nfs/dbraw/zinc/89/82/11/756898211.db2.gz LAKZHVGHGXIOMD-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C1 ZINC001083110559 757117310 /nfs/dbraw/zinc/11/73/10/757117310.db2.gz JTYKLRTWYSTROT-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110559 757117311 /nfs/dbraw/zinc/11/73/11/757117311.db2.gz JTYKLRTWYSTROT-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C1 ZINC001083110559 757117314 /nfs/dbraw/zinc/11/73/14/757117314.db2.gz JTYKLRTWYSTROT-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001016554117 757155564 /nfs/dbraw/zinc/15/55/64/757155564.db2.gz VZERMJDXBOELRL-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001016554117 757155570 /nfs/dbraw/zinc/15/55/70/757155570.db2.gz VZERMJDXBOELRL-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001016687367 757267941 /nfs/dbraw/zinc/26/79/41/757267941.db2.gz IFVAXMNYKTUUTC-HOTGVXAUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405249 757562622 /nfs/dbraw/zinc/56/26/22/757562622.db2.gz DZJWIBIILVYKKA-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405249 757562625 /nfs/dbraw/zinc/56/26/25/757562625.db2.gz DZJWIBIILVYKKA-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405249 757562629 /nfs/dbraw/zinc/56/26/29/757562629.db2.gz DZJWIBIILVYKKA-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405249 757562632 /nfs/dbraw/zinc/56/26/32/757562632.db2.gz DZJWIBIILVYKKA-IXDOHACOSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001052836245 757852628 /nfs/dbraw/zinc/85/26/28/757852628.db2.gz HJSFWMRBQWMMCK-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040530132 762579731 /nfs/dbraw/zinc/57/97/31/762579731.db2.gz UTNIXYWOWXBYLQ-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040530132 762579735 /nfs/dbraw/zinc/57/97/35/762579735.db2.gz UTNIXYWOWXBYLQ-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040530132 762579738 /nfs/dbraw/zinc/57/97/38/762579738.db2.gz UTNIXYWOWXBYLQ-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084779262 757908300 /nfs/dbraw/zinc/90/83/00/757908300.db2.gz BRVBOQBSSFMKNQ-RHSMWYFYSA-N 2 1 314.433 1.870 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC001084779262 757908306 /nfs/dbraw/zinc/90/83/06/757908306.db2.gz BRVBOQBSSFMKNQ-RHSMWYFYSA-N 2 1 314.433 1.870 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC)C3)CC1 ZINC001040543316 762587002 /nfs/dbraw/zinc/58/70/02/762587002.db2.gz OFLZRNRRHHYTON-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CC3)[C@H]2C1 ZINC001084961090 758104028 /nfs/dbraw/zinc/10/40/28/758104028.db2.gz KIHMWPMROPRHIF-SQNIBIBYSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CC3)[C@H]2C1 ZINC001084961090 758104035 /nfs/dbraw/zinc/10/40/35/758104035.db2.gz KIHMWPMROPRHIF-SQNIBIBYSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 ZINC001084961090 758104046 /nfs/dbraw/zinc/10/40/46/758104046.db2.gz KIHMWPMROPRHIF-SQNIBIBYSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 ZINC001084961090 758104056 /nfs/dbraw/zinc/10/40/56/758104056.db2.gz KIHMWPMROPRHIF-SQNIBIBYSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001053108506 758158171 /nfs/dbraw/zinc/15/81/71/758158171.db2.gz VJOXYDHRXIOVKK-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085033163 758166873 /nfs/dbraw/zinc/16/68/73/758166873.db2.gz TZWXZLZDFMAXLC-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085033163 758166878 /nfs/dbraw/zinc/16/68/78/758166878.db2.gz TZWXZLZDFMAXLC-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]21 ZINC001085033163 758166887 /nfs/dbraw/zinc/16/68/87/758166887.db2.gz TZWXZLZDFMAXLC-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001017945096 758414012 /nfs/dbraw/zinc/41/40/12/758414012.db2.gz OVGXJCNXZRVGTG-WCXIOVBPSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001017945096 758414018 /nfs/dbraw/zinc/41/40/18/758414018.db2.gz OVGXJCNXZRVGTG-WCXIOVBPSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC001017945096 758414026 /nfs/dbraw/zinc/41/40/26/758414026.db2.gz OVGXJCNXZRVGTG-WCXIOVBPSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031805 758490412 /nfs/dbraw/zinc/49/04/12/758490412.db2.gz OFZBTGQQXRRHPP-CALCHBBNSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054008707 759055040 /nfs/dbraw/zinc/05/50/40/759055040.db2.gz FGHQBOSNTBUUQO-HNNXBMFYSA-N 2 1 307.438 1.008 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129531 759203393 /nfs/dbraw/zinc/20/33/93/759203393.db2.gz SYBBXWDFNPYRJD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129531 759203398 /nfs/dbraw/zinc/20/33/98/759203398.db2.gz SYBBXWDFNPYRJD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129531 759203403 /nfs/dbraw/zinc/20/34/03/759203403.db2.gz SYBBXWDFNPYRJD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001054133641 759208323 /nfs/dbraw/zinc/20/83/23/759208323.db2.gz IFXFHYOOUCMTFK-MJGOQNOKSA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001054153672 759235182 /nfs/dbraw/zinc/23/51/82/759235182.db2.gz WILJYUMAIXEAJM-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001054153672 759235189 /nfs/dbraw/zinc/23/51/89/759235189.db2.gz WILJYUMAIXEAJM-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001054153672 759235194 /nfs/dbraw/zinc/23/51/94/759235194.db2.gz WILJYUMAIXEAJM-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197608 759283238 /nfs/dbraw/zinc/28/32/38/759283238.db2.gz FSRKDVSFFZLSGV-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197608 759283248 /nfs/dbraw/zinc/28/32/48/759283248.db2.gz FSRKDVSFFZLSGV-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197608 759283256 /nfs/dbraw/zinc/28/32/56/759283256.db2.gz FSRKDVSFFZLSGV-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001054296197 759410468 /nfs/dbraw/zinc/41/04/68/759410468.db2.gz UUBCSUGZZKDTGE-HIEASXQVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CC(C)C2)C1 ZINC001054296197 759410472 /nfs/dbraw/zinc/41/04/72/759410472.db2.gz UUBCSUGZZKDTGE-HIEASXQVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001085686233 760014461 /nfs/dbraw/zinc/01/44/61/760014461.db2.gz MZUQNFVXOFBKIM-INIZCTEOSA-N 2 1 310.401 1.812 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001098396013 760485846 /nfs/dbraw/zinc/48/58/46/760485846.db2.gz KZDCYMLXDNRJAX-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001098396013 760485848 /nfs/dbraw/zinc/48/58/48/760485848.db2.gz KZDCYMLXDNRJAX-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001098396013 760485850 /nfs/dbraw/zinc/48/58/50/760485850.db2.gz KZDCYMLXDNRJAX-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001046850586 767983688 /nfs/dbraw/zinc/98/36/88/767983688.db2.gz WYCACUPTPLVNJP-VQIMIIECSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001038260041 760955466 /nfs/dbraw/zinc/95/54/66/760955466.db2.gz LXHVRWFYGWMKPO-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086110058 760995573 /nfs/dbraw/zinc/99/55/73/760995573.db2.gz RPPCCSKLIVMHAU-BBWFWOEESA-N 2 1 303.450 1.369 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001086110058 760995583 /nfs/dbraw/zinc/99/55/83/760995583.db2.gz RPPCCSKLIVMHAU-BBWFWOEESA-N 2 1 303.450 1.369 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001039014930 761649521 /nfs/dbraw/zinc/64/95/21/761649521.db2.gz GVLPYZRTWAQEEB-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccc(C#N)c2)C1 ZINC001039014930 761649524 /nfs/dbraw/zinc/64/95/24/761649524.db2.gz GVLPYZRTWAQEEB-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C#N)c2)C1 ZINC001039014930 761649529 /nfs/dbraw/zinc/64/95/29/761649529.db2.gz GVLPYZRTWAQEEB-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC001039014930 761649534 /nfs/dbraw/zinc/64/95/34/761649534.db2.gz GVLPYZRTWAQEEB-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039126082 761762455 /nfs/dbraw/zinc/76/24/55/761762455.db2.gz IJYVXZYPJWPOBL-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039126082 761762463 /nfs/dbraw/zinc/76/24/63/761762463.db2.gz IJYVXZYPJWPOBL-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039126082 761762471 /nfs/dbraw/zinc/76/24/71/761762471.db2.gz IJYVXZYPJWPOBL-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001372348 762799314 /nfs/dbraw/zinc/79/93/14/762799314.db2.gz UNAQVFHGGBAJNO-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001001461344 762884145 /nfs/dbraw/zinc/88/41/45/762884145.db2.gz JRAACBPCEARDBH-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001461344 762884150 /nfs/dbraw/zinc/88/41/50/762884150.db2.gz JRAACBPCEARDBH-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001461344 762884154 /nfs/dbraw/zinc/88/41/54/762884154.db2.gz JRAACBPCEARDBH-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001001461344 762884158 /nfs/dbraw/zinc/88/41/58/762884158.db2.gz JRAACBPCEARDBH-KRWDZBQOSA-N 2 1 321.465 1.422 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC(=C)C)CC2)CC1 ZINC001001467311 762890197 /nfs/dbraw/zinc/89/01/97/762890197.db2.gz IJFRZBXNKSWPBX-UHFFFAOYSA-N 2 1 315.461 1.656 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041274754 762926409 /nfs/dbraw/zinc/92/64/09/762926409.db2.gz BGJOJKJBIGCUOK-AEFFLSMTSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274754 762926412 /nfs/dbraw/zinc/92/64/12/762926412.db2.gz BGJOJKJBIGCUOK-AEFFLSMTSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274754 762926416 /nfs/dbraw/zinc/92/64/16/762926416.db2.gz BGJOJKJBIGCUOK-AEFFLSMTSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)CCC)C2 ZINC001108803341 762948863 /nfs/dbraw/zinc/94/88/63/762948863.db2.gz BGNKSYKULXZHIX-BBWFWOEESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404725 763008592 /nfs/dbraw/zinc/00/85/92/763008592.db2.gz VMDHCMPNYPRDJR-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001041404725 763008596 /nfs/dbraw/zinc/00/85/96/763008596.db2.gz VMDHCMPNYPRDJR-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404725 763008605 /nfs/dbraw/zinc/00/86/05/763008605.db2.gz VMDHCMPNYPRDJR-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC001041404725 763008612 /nfs/dbraw/zinc/00/86/12/763008612.db2.gz VMDHCMPNYPRDJR-JFIYKMOQSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164307 763247165 /nfs/dbraw/zinc/24/71/65/763247165.db2.gz BFIBZWQRBIWQJL-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001050164307 763247173 /nfs/dbraw/zinc/24/71/73/763247173.db2.gz BFIBZWQRBIWQJL-DLBZAZTESA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001046924165 768120335 /nfs/dbraw/zinc/12/03/35/768120335.db2.gz GNGMAPCLKYRORU-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046924165 768120339 /nfs/dbraw/zinc/12/03/39/768120339.db2.gz GNGMAPCLKYRORU-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001046924165 768120342 /nfs/dbraw/zinc/12/03/42/768120342.db2.gz GNGMAPCLKYRORU-ZIAGYGMSSA-N 2 1 313.392 1.177 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837377 763392348 /nfs/dbraw/zinc/39/23/48/763392348.db2.gz GHSFFOSDNTVJGF-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837377 763392357 /nfs/dbraw/zinc/39/23/57/763392357.db2.gz GHSFFOSDNTVJGF-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837377 763392363 /nfs/dbraw/zinc/39/23/63/763392363.db2.gz GHSFFOSDNTVJGF-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837377 763392370 /nfs/dbraw/zinc/39/23/70/763392370.db2.gz GHSFFOSDNTVJGF-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844501 763400309 /nfs/dbraw/zinc/40/03/09/763400309.db2.gz JSBITWMFYVPTQM-IBGZPJMESA-N 2 1 317.477 1.810 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]21 ZINC001042063202 763605252 /nfs/dbraw/zinc/60/52/52/763605252.db2.gz SAQZSFCMOUAIKL-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]21 ZINC001042114316 763667317 /nfs/dbraw/zinc/66/73/17/763667317.db2.gz JORYBXPRVWWZSK-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156634 763721198 /nfs/dbraw/zinc/72/11/98/763721198.db2.gz JRYYJMMMKQOYGT-CRAIPNDOSA-N 2 1 322.412 1.894 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042256828 763829235 /nfs/dbraw/zinc/82/92/35/763829235.db2.gz ACICKVRTCIWDAL-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042354035 763954967 /nfs/dbraw/zinc/95/49/67/763954967.db2.gz CZHRYBVNCVTYNV-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042354035 763954973 /nfs/dbraw/zinc/95/49/73/763954973.db2.gz CZHRYBVNCVTYNV-HOTGVXAUSA-N 2 1 300.406 1.138 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050761325 764015246 /nfs/dbraw/zinc/01/52/46/764015246.db2.gz KVWXIDLFTCKVEW-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050761325 764015253 /nfs/dbraw/zinc/01/52/53/764015253.db2.gz KVWXIDLFTCKVEW-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110017517 764301996 /nfs/dbraw/zinc/30/19/96/764301996.db2.gz AMADAFPJXGVHJH-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110017517 764302001 /nfs/dbraw/zinc/30/20/01/764302001.db2.gz AMADAFPJXGVHJH-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110017517 764302006 /nfs/dbraw/zinc/30/20/06/764302006.db2.gz AMADAFPJXGVHJH-PMPSAXMXSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579305 764423729 /nfs/dbraw/zinc/42/37/29/764423729.db2.gz HFPYMRWPFBINIJ-WMZOPIPTSA-N 2 1 314.433 1.433 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131692991 768276102 /nfs/dbraw/zinc/27/61/02/768276102.db2.gz MJICCLCOOKDNNO-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692991 768276104 /nfs/dbraw/zinc/27/61/04/768276104.db2.gz MJICCLCOOKDNNO-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692991 768276106 /nfs/dbraw/zinc/27/61/06/768276106.db2.gz MJICCLCOOKDNNO-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052384224 765779086 /nfs/dbraw/zinc/77/90/86/765779086.db2.gz BCGAVCZHRJZTBF-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052444522 765835583 /nfs/dbraw/zinc/83/55/83/765835583.db2.gz JHXSURGCZMPIGO-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052444522 765835588 /nfs/dbraw/zinc/83/55/88/765835588.db2.gz JHXSURGCZMPIGO-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052444522 765835595 /nfs/dbraw/zinc/83/55/95/765835595.db2.gz JHXSURGCZMPIGO-IAGOWNOFSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001045476115 766333356 /nfs/dbraw/zinc/33/33/56/766333356.db2.gz ZWNFGEKEJMWQMP-DLBZAZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585857 766421241 /nfs/dbraw/zinc/42/12/41/766421241.db2.gz XBMYDHKUAAEUOZ-IAGOWNOFSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045686669 766504629 /nfs/dbraw/zinc/50/46/29/766504629.db2.gz ROJSDPBDUIFTMS-HOTGVXAUSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086623503 766938853 /nfs/dbraw/zinc/93/88/53/766938853.db2.gz IALYZEQOSCRSBA-OKZBNKHCSA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086623503 766938855 /nfs/dbraw/zinc/93/88/55/766938855.db2.gz IALYZEQOSCRSBA-OKZBNKHCSA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623503 766938857 /nfs/dbraw/zinc/93/88/57/766938857.db2.gz IALYZEQOSCRSBA-OKZBNKHCSA-N 2 1 311.429 1.156 20 30 DDEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001086623503 766938860 /nfs/dbraw/zinc/93/88/60/766938860.db2.gz IALYZEQOSCRSBA-OKZBNKHCSA-N 2 1 311.429 1.156 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001090491264 767674621 /nfs/dbraw/zinc/67/46/21/767674621.db2.gz YYYWMOQZFMVWRR-CVEARBPZSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613598 767738731 /nfs/dbraw/zinc/73/87/31/767738731.db2.gz FBASVNWBRQIVDT-CRAIPNDOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613598 767738732 /nfs/dbraw/zinc/73/87/32/767738732.db2.gz FBASVNWBRQIVDT-CRAIPNDOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553717 768565065 /nfs/dbraw/zinc/56/50/65/768565065.db2.gz TVILYJSCXWVCAE-IRXDYDNUSA-N 2 1 323.481 1.188 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494254 768926899 /nfs/dbraw/zinc/92/68/99/768926899.db2.gz QDIQMEDDHZWCKU-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)CC[C@H]1C ZINC001132517788 768931669 /nfs/dbraw/zinc/93/16/69/768931669.db2.gz GQSXQHGDWJQRHN-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176272 769102330 /nfs/dbraw/zinc/10/23/30/769102330.db2.gz UDMIBBNPKCSOQJ-QAPCUYQASA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176272 769102331 /nfs/dbraw/zinc/10/23/31/769102331.db2.gz UDMIBBNPKCSOQJ-QAPCUYQASA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)C[C@@H](C)O2 ZINC001071176272 769102336 /nfs/dbraw/zinc/10/23/36/769102336.db2.gz UDMIBBNPKCSOQJ-QAPCUYQASA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C2 ZINC001048562942 769536317 /nfs/dbraw/zinc/53/63/17/769536317.db2.gz RZIFSVQBUVNVQS-KSWRQPAISA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562942 769536320 /nfs/dbraw/zinc/53/63/20/769536320.db2.gz RZIFSVQBUVNVQS-KSWRQPAISA-N 2 1 305.466 1.729 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)C2 ZINC001048562942 769536323 /nfs/dbraw/zinc/53/63/23/769536323.db2.gz RZIFSVQBUVNVQS-KSWRQPAISA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C13CC[NH+](CC1)C3)C2 ZINC001048582619 769557731 /nfs/dbraw/zinc/55/77/31/769557731.db2.gz ROFUDPKHMSRSSV-MUJYYYPQSA-N 2 1 301.434 1.075 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001048590267 769567010 /nfs/dbraw/zinc/56/70/10/769567010.db2.gz TYQPAINIHCJNHK-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001048590267 769567016 /nfs/dbraw/zinc/56/70/16/769567016.db2.gz TYQPAINIHCJNHK-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001048590267 769567019 /nfs/dbraw/zinc/56/70/19/769567019.db2.gz TYQPAINIHCJNHK-NXOAAHMSSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001133314189 769703539 /nfs/dbraw/zinc/70/35/39/769703539.db2.gz MCVHVRUGVVFVKU-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049012604 770250934 /nfs/dbraw/zinc/25/09/34/770250934.db2.gz FUDNKIZDEHMZTR-HRCADAONSA-N 2 1 314.433 1.330 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)C[C@H]2C1 ZINC001049012604 770250939 /nfs/dbraw/zinc/25/09/39/770250939.db2.gz FUDNKIZDEHMZTR-HRCADAONSA-N 2 1 314.433 1.330 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055935 770300750 /nfs/dbraw/zinc/30/07/50/770300750.db2.gz OACKTCRAKNZHCR-IYBDPMFKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055935 770300761 /nfs/dbraw/zinc/30/07/61/770300761.db2.gz OACKTCRAKNZHCR-IYBDPMFKSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC001049055935 770300771 /nfs/dbraw/zinc/30/07/71/770300771.db2.gz OACKTCRAKNZHCR-IYBDPMFKSA-N 2 1 305.466 1.685 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001133845692 770351971 /nfs/dbraw/zinc/35/19/71/770351971.db2.gz LTNSRTLVTGIMGT-CYBMUJFWSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049146400 770456619 /nfs/dbraw/zinc/45/66/19/770456619.db2.gz DQJKMNJWTGJCJK-CALCHBBNSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049535030 770994658 /nfs/dbraw/zinc/99/46/58/770994658.db2.gz XZUMVANNBPMOLY-IKGGRYGDSA-N 2 1 305.466 1.661 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718393 771111629 /nfs/dbraw/zinc/11/16/29/771111629.db2.gz MALCKGMVOBEZED-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718393 771111630 /nfs/dbraw/zinc/11/16/30/771111630.db2.gz MALCKGMVOBEZED-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718393 771111631 /nfs/dbraw/zinc/11/16/31/771111631.db2.gz MALCKGMVOBEZED-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049768152 771145208 /nfs/dbraw/zinc/14/52/08/771145208.db2.gz UEONBOLPFGRUPQ-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC)CC1 ZINC001049916943 771257365 /nfs/dbraw/zinc/25/73/65/771257365.db2.gz GNIQFIAIEPYSIE-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](O)C1 ZINC001090831661 772250530 /nfs/dbraw/zinc/25/05/30/772250530.db2.gz UPDJYKHYJSPVOV-IAGOWNOFSA-N 2 1 317.433 1.099 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001091204272 772614761 /nfs/dbraw/zinc/61/47/61/772614761.db2.gz BVSNVERSLVMKHO-SLTAFYQDSA-N 2 1 302.422 1.424 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001147457671 773140360 /nfs/dbraw/zinc/14/03/60/773140360.db2.gz IFRBPMVGUOGSQM-KRWDZBQOSA-N 2 1 319.449 1.588 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001147986184 773322039 /nfs/dbraw/zinc/32/20/39/773322039.db2.gz QILWFJVMWUVBDY-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147986184 773322047 /nfs/dbraw/zinc/32/20/47/773322047.db2.gz QILWFJVMWUVBDY-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001147986184 773322053 /nfs/dbraw/zinc/32/20/53/773322053.db2.gz QILWFJVMWUVBDY-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001148284821 773432227 /nfs/dbraw/zinc/43/22/27/773432227.db2.gz FZMHOUCIVNNLTB-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315339 773448537 /nfs/dbraw/zinc/44/85/37/773448537.db2.gz JAOUNHNHFCVLFQ-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315339 773448540 /nfs/dbraw/zinc/44/85/40/773448540.db2.gz JAOUNHNHFCVLFQ-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315339 773448543 /nfs/dbraw/zinc/44/85/43/773448543.db2.gz JAOUNHNHFCVLFQ-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC=C)C[C@@]2(C)C1 ZINC001091748190 773606500 /nfs/dbraw/zinc/60/65/00/773606500.db2.gz DZKXEOASJZMLBZ-RYRKJORJSA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC=C)C[C@@]2(C)C1 ZINC001091748190 773606501 /nfs/dbraw/zinc/60/65/01/773606501.db2.gz DZKXEOASJZMLBZ-RYRKJORJSA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC=C)C[C@@]2(C)C1 ZINC001091748190 773606504 /nfs/dbraw/zinc/60/65/04/773606504.db2.gz DZKXEOASJZMLBZ-RYRKJORJSA-N 2 1 301.434 1.050 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC=C)C[C@@]2(C)C1 ZINC001091748190 773606507 /nfs/dbraw/zinc/60/65/07/773606507.db2.gz DZKXEOASJZMLBZ-RYRKJORJSA-N 2 1 301.434 1.050 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092277984 774040920 /nfs/dbraw/zinc/04/09/20/774040920.db2.gz BCHCEPRATANLPQ-WBVHZDCISA-N 2 1 302.422 1.548 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092277984 774040926 /nfs/dbraw/zinc/04/09/26/774040926.db2.gz BCHCEPRATANLPQ-WBVHZDCISA-N 2 1 302.422 1.548 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001092689935 774233512 /nfs/dbraw/zinc/23/35/12/774233512.db2.gz STYZAHFBSSTZAW-WWDFRNIQSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001092689935 774233514 /nfs/dbraw/zinc/23/35/14/774233514.db2.gz STYZAHFBSSTZAW-WWDFRNIQSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1C ZINC001092689935 774233520 /nfs/dbraw/zinc/23/35/20/774233520.db2.gz STYZAHFBSSTZAW-WWDFRNIQSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1C ZINC001092689935 774233522 /nfs/dbraw/zinc/23/35/22/774233522.db2.gz STYZAHFBSSTZAW-WWDFRNIQSA-N 2 1 323.868 1.521 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001036736492 774430007 /nfs/dbraw/zinc/43/00/07/774430007.db2.gz AKUTUQGNJXURQQ-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@H]21 ZINC001036736492 774430009 /nfs/dbraw/zinc/43/00/09/774430009.db2.gz AKUTUQGNJXURQQ-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC[C@H]21 ZINC001036736492 774430010 /nfs/dbraw/zinc/43/00/10/774430010.db2.gz AKUTUQGNJXURQQ-NVXWUHKLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036774109 774569684 /nfs/dbraw/zinc/56/96/84/774569684.db2.gz ZGEZQRRGUSRTME-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036774109 774569687 /nfs/dbraw/zinc/56/96/87/774569687.db2.gz ZGEZQRRGUSRTME-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801241 774653561 /nfs/dbraw/zinc/65/35/61/774653561.db2.gz INEILWWEBPNBFD-HOCLYGCPSA-N 2 1 315.417 1.511 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]21 ZINC001036801241 774653568 /nfs/dbraw/zinc/65/35/68/774653568.db2.gz INEILWWEBPNBFD-HOCLYGCPSA-N 2 1 315.417 1.511 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036809250 774668577 /nfs/dbraw/zinc/66/85/77/774668577.db2.gz HVVNFNLPOSPDOR-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820122 774747288 /nfs/dbraw/zinc/74/72/88/774747288.db2.gz CTOZRZCBEYAXSX-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036820122 774747291 /nfs/dbraw/zinc/74/72/91/774747291.db2.gz CTOZRZCBEYAXSX-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001099010944 774770122 /nfs/dbraw/zinc/77/01/22/774770122.db2.gz RGKRAPBFDSXCPJ-WMZOPIPTSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001036854727 774943602 /nfs/dbraw/zinc/94/36/02/774943602.db2.gz PXFONRUCJCPGGP-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339981 774953151 /nfs/dbraw/zinc/95/31/51/774953151.db2.gz NCAUGAVYWPADIX-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896298 776010241 /nfs/dbraw/zinc/01/02/41/776010241.db2.gz MLUSDZQOSCNWBB-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036896298 776010251 /nfs/dbraw/zinc/01/02/51/776010251.db2.gz MLUSDZQOSCNWBB-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CC)C2)CC1 ZINC001036902359 776076594 /nfs/dbraw/zinc/07/65/94/776076594.db2.gz JQYLBDKZYFEBHD-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001100406074 776109252 /nfs/dbraw/zinc/10/92/52/776109252.db2.gz ZMVSNDWYCGWJGY-YMAMQOFZSA-N 2 1 300.406 1.268 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001100606666 776358560 /nfs/dbraw/zinc/35/85/60/776358560.db2.gz QJWNMHGBINDUBL-SOEBMCCKSA-N 2 1 323.481 1.404 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001100756874 776504689 /nfs/dbraw/zinc/50/46/89/776504689.db2.gz SPTDBZVCHHFTKC-UHFFFAOYSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175264361 777739139 /nfs/dbraw/zinc/73/91/39/777739139.db2.gz UBBSNZHPQJDGBF-HOCLYGCPSA-N 2 1 316.449 1.652 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001101976132 777757186 /nfs/dbraw/zinc/75/71/86/777757186.db2.gz KEXCAXXMSILMSQ-NXHRZFHOSA-N 2 1 319.493 1.979 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985074 777764444 /nfs/dbraw/zinc/76/44/44/777764444.db2.gz YVRKPRNAKNYWCX-OWCLPIDISA-N 2 1 316.449 1.714 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](C)C1 ZINC001101985074 777764446 /nfs/dbraw/zinc/76/44/46/777764446.db2.gz YVRKPRNAKNYWCX-OWCLPIDISA-N 2 1 316.449 1.714 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102045121 777828657 /nfs/dbraw/zinc/82/86/57/777828657.db2.gz SCGVFFGEDMHOCE-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045121 777828667 /nfs/dbraw/zinc/82/86/67/777828667.db2.gz SCGVFFGEDMHOCE-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102045121 777828678 /nfs/dbraw/zinc/82/86/78/777828678.db2.gz SCGVFFGEDMHOCE-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177157101 778465716 /nfs/dbraw/zinc/46/57/16/778465716.db2.gz QMRIJTNGVUPSRB-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177157101 778465717 /nfs/dbraw/zinc/46/57/17/778465717.db2.gz QMRIJTNGVUPSRB-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157101 778465722 /nfs/dbraw/zinc/46/57/22/778465722.db2.gz QMRIJTNGVUPSRB-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157101 778465724 /nfs/dbraw/zinc/46/57/24/778465724.db2.gz QMRIJTNGVUPSRB-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103003646 778550101 /nfs/dbraw/zinc/55/01/01/778550101.db2.gz VVTRXFJTYPOOOL-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103003646 778550103 /nfs/dbraw/zinc/55/01/03/778550103.db2.gz VVTRXFJTYPOOOL-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103003646 778550104 /nfs/dbraw/zinc/55/01/04/778550104.db2.gz VVTRXFJTYPOOOL-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001179370621 779363202 /nfs/dbraw/zinc/36/32/02/779363202.db2.gz DSUFLZCIGITWNZ-MRXNPFEDSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001179371336 779363726 /nfs/dbraw/zinc/36/37/26/779363726.db2.gz OKLALHPJDVQNEG-QGZVFWFLSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1C ZINC001179546469 779415111 /nfs/dbraw/zinc/41/51/11/779415111.db2.gz QOODNHOVVRHYMT-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112072263 779614254 /nfs/dbraw/zinc/61/42/54/779614254.db2.gz QIOXBUUZJUCILJ-JHJVBQTASA-N 2 1 319.371 1.636 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115344493 780055992 /nfs/dbraw/zinc/05/59/92/780055992.db2.gz XKIKCROHYOWWHN-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCCCC1 ZINC001120170393 781797849 /nfs/dbraw/zinc/79/78/49/781797849.db2.gz LRZJCCILCQGVJP-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCCC1 ZINC001120170393 781797863 /nfs/dbraw/zinc/79/78/63/781797863.db2.gz LRZJCCILCQGVJP-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)[NH+](C)C ZINC001279588764 837441228 /nfs/dbraw/zinc/44/12/28/837441228.db2.gz UPOCHQMCYMDNHV-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001266327109 836125613 /nfs/dbraw/zinc/12/56/13/836125613.db2.gz YHMNGLZQZFRVMR-KRWDZBQOSA-N 2 1 319.424 1.565 20 30 DDEDMP CC[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001266327109 836125617 /nfs/dbraw/zinc/12/56/17/836125617.db2.gz YHMNGLZQZFRVMR-KRWDZBQOSA-N 2 1 319.424 1.565 20 30 DDEDMP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001266350105 836155880 /nfs/dbraw/zinc/15/58/80/836155880.db2.gz GXJDHRBOPZROCR-SFHVURJKSA-N 2 1 315.461 1.672 20 30 DDEDMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)[NH+](C)C ZINC001266350105 836155888 /nfs/dbraw/zinc/15/58/88/836155888.db2.gz GXJDHRBOPZROCR-SFHVURJKSA-N 2 1 315.461 1.672 20 30 DDEDMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001266390632 836197898 /nfs/dbraw/zinc/19/78/98/836197898.db2.gz FTUYQRRJCSAPNH-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001266390632 836197903 /nfs/dbraw/zinc/19/79/03/836197903.db2.gz FTUYQRRJCSAPNH-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266390632 836197905 /nfs/dbraw/zinc/19/79/05/836197905.db2.gz FTUYQRRJCSAPNH-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001266579779 836491740 /nfs/dbraw/zinc/49/17/40/836491740.db2.gz YICSFEZJGHHJIZ-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCCC)C1 ZINC001266599662 836518167 /nfs/dbraw/zinc/51/81/67/836518167.db2.gz SHFANTQUSZCKNI-ULQDDVLXSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCCC)C1 ZINC001266599662 836518173 /nfs/dbraw/zinc/51/81/73/836518173.db2.gz SHFANTQUSZCKNI-ULQDDVLXSA-N 2 1 305.466 1.901 20 30 DDEDMP COCC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267113517 837374329 /nfs/dbraw/zinc/37/43/29/837374329.db2.gz NALHLIZGNXFISJ-IAGOWNOFSA-N 2 1 323.481 1.145 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267584906 838367293 /nfs/dbraw/zinc/36/72/93/838367293.db2.gz LAMFRKJJVKHURM-SJORKVTESA-N 2 1 323.481 1.003 20 30 DDEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001267599891 838405264 /nfs/dbraw/zinc/40/52/64/838405264.db2.gz GJMRALDTUFAZFM-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267599891 838405266 /nfs/dbraw/zinc/40/52/66/838405266.db2.gz GJMRALDTUFAZFM-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267599891 838405270 /nfs/dbraw/zinc/40/52/70/838405270.db2.gz GJMRALDTUFAZFM-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001267852767 839081976 /nfs/dbraw/zinc/08/19/76/839081976.db2.gz GYFUJKQNGGSFMX-AEFFLSMTSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001268027826 839436492 /nfs/dbraw/zinc/43/64/92/839436492.db2.gz UOBCNYKNBPAHTR-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001268027826 839436495 /nfs/dbraw/zinc/43/64/95/839436495.db2.gz UOBCNYKNBPAHTR-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001268027826 839436498 /nfs/dbraw/zinc/43/64/98/839436498.db2.gz UOBCNYKNBPAHTR-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001268120664 839713062 /nfs/dbraw/zinc/71/30/62/839713062.db2.gz WYDPWBQPSQRETC-SJORKVTESA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268659159 840642633 /nfs/dbraw/zinc/64/26/33/840642633.db2.gz UFVFSJNVZJQOFR-UKRRQHHQSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001269297455 841483681 /nfs/dbraw/zinc/48/36/81/841483681.db2.gz YTSBEZCERZABSU-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001269545279 841746910 /nfs/dbraw/zinc/74/69/10/841746910.db2.gz KULCEXMGXZKOBN-INIZCTEOSA-N 2 1 305.466 1.901 20 30 DDEDMP C#CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001270403962 842550426 /nfs/dbraw/zinc/55/04/26/842550426.db2.gz PYOXMFCPWRMWMY-IAGOWNOFSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001270517650 842636513 /nfs/dbraw/zinc/63/65/13/842636513.db2.gz SOEBBZXCLFYDIO-CQSZACIVSA-N 2 1 318.421 1.249 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001271744073 843831751 /nfs/dbraw/zinc/83/17/51/843831751.db2.gz OETXWYFDMFHCCD-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001271744073 843831763 /nfs/dbraw/zinc/83/17/63/843831763.db2.gz OETXWYFDMFHCCD-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001271744073 843831770 /nfs/dbraw/zinc/83/17/70/843831770.db2.gz OETXWYFDMFHCCD-WCXIOVBPSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001272533980 846283022 /nfs/dbraw/zinc/28/30/22/846283022.db2.gz LRGRGMVEFGSHML-IRXDYDNUSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCC1 ZINC001326902800 861701465 /nfs/dbraw/zinc/70/14/65/861701465.db2.gz JSNWDAAPPJKFQS-UHFFFAOYSA-N 2 1 311.389 1.695 20 30 DDEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001272692855 846633621 /nfs/dbraw/zinc/63/36/21/846633621.db2.gz YJZDCFZYGPUGCH-OAHLLOKOSA-N 2 1 310.401 1.792 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000997003216 847101977 /nfs/dbraw/zinc/10/19/77/847101977.db2.gz YZDGIKMMXNDNMA-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244289 861890137 /nfs/dbraw/zinc/89/01/37/861890137.db2.gz MKBFIPGMAACQOE-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244289 861890156 /nfs/dbraw/zinc/89/01/56/861890156.db2.gz MKBFIPGMAACQOE-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034399393 848465840 /nfs/dbraw/zinc/46/58/40/848465840.db2.gz SZPBTVXZGBIPJJ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034399393 848465842 /nfs/dbraw/zinc/46/58/42/848465842.db2.gz SZPBTVXZGBIPJJ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034399393 848465846 /nfs/dbraw/zinc/46/58/46/848465846.db2.gz SZPBTVXZGBIPJJ-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149984688 862007541 /nfs/dbraw/zinc/00/75/41/862007541.db2.gz XBOQYWYWMWGJNC-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001149984688 862007556 /nfs/dbraw/zinc/00/75/56/862007556.db2.gz XBOQYWYWMWGJNC-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001273600244 851134185 /nfs/dbraw/zinc/13/41/85/851134185.db2.gz ZFYKJVBPYDAGMK-CALCHBBNSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001273600244 851134189 /nfs/dbraw/zinc/13/41/89/851134189.db2.gz ZFYKJVBPYDAGMK-CALCHBBNSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)CCC)CCO2 ZINC001273636889 851172453 /nfs/dbraw/zinc/17/24/53/851172453.db2.gz KAWOIJPKENBGFQ-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001273636889 851172459 /nfs/dbraw/zinc/17/24/59/851172459.db2.gz KAWOIJPKENBGFQ-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)O2 ZINC001273669139 851204324 /nfs/dbraw/zinc/20/43/24/851204324.db2.gz NRMNIVKTFHZALK-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCN(CC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1)C(=O)OCC ZINC001274928018 852689175 /nfs/dbraw/zinc/68/91/75/852689175.db2.gz UVABRZFYEMUMRH-IYBDPMFKSA-N 2 1 309.454 1.905 20 30 DDEDMP C=CCN(CC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1)C(=O)OCC ZINC001274928018 852689178 /nfs/dbraw/zinc/68/91/78/852689178.db2.gz UVABRZFYEMUMRH-IYBDPMFKSA-N 2 1 309.454 1.905 20 30 DDEDMP C=CCN(CC[NH+]1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1)C(=O)OCC ZINC001274928018 852689183 /nfs/dbraw/zinc/68/91/83/852689183.db2.gz UVABRZFYEMUMRH-IYBDPMFKSA-N 2 1 309.454 1.905 20 30 DDEDMP COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274981606 852727728 /nfs/dbraw/zinc/72/77/28/852727728.db2.gz OKZCZLMAYFEUEL-CALCHBBNSA-N 2 1 316.449 1.687 20 30 DDEDMP COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274981606 852727732 /nfs/dbraw/zinc/72/77/32/852727732.db2.gz OKZCZLMAYFEUEL-CALCHBBNSA-N 2 1 316.449 1.687 20 30 DDEDMP COCC[NH+]1C[C@@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)CC[C@@H]2C1 ZINC001274981606 852727737 /nfs/dbraw/zinc/72/77/37/852727737.db2.gz OKZCZLMAYFEUEL-CALCHBBNSA-N 2 1 316.449 1.687 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150777028 862465252 /nfs/dbraw/zinc/46/52/52/862465252.db2.gz CEACTYLPTHUXDE-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777028 862465256 /nfs/dbraw/zinc/46/52/56/862465256.db2.gz CEACTYLPTHUXDE-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777028 862465260 /nfs/dbraw/zinc/46/52/60/862465260.db2.gz CEACTYLPTHUXDE-MRXNPFEDSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276009952 854150589 /nfs/dbraw/zinc/15/05/89/854150589.db2.gz CIXRKTJFLBVCNE-DOTOQJQBSA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001276009952 854150592 /nfs/dbraw/zinc/15/05/92/854150592.db2.gz CIXRKTJFLBVCNE-DOTOQJQBSA-N 2 1 301.434 1.749 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281392 855413776 /nfs/dbraw/zinc/41/37/76/855413776.db2.gz PWGGRQPSXRTTJX-OAGGEKHMSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001328198015 862765674 /nfs/dbraw/zinc/76/56/74/862765674.db2.gz IDGRZAMTTRJFEU-MRXNPFEDSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734811 857652284 /nfs/dbraw/zinc/65/22/84/857652284.db2.gz QOXYRAKSVDFQJL-HOTGVXAUSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072734811 857652289 /nfs/dbraw/zinc/65/22/89/857652289.db2.gz QOXYRAKSVDFQJL-HOTGVXAUSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734811 857652294 /nfs/dbraw/zinc/65/22/94/857652294.db2.gz QOXYRAKSVDFQJL-HOTGVXAUSA-N 2 1 303.450 1.581 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001073457196 858353724 /nfs/dbraw/zinc/35/37/24/858353724.db2.gz FPGGFPKEXAALHJ-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599426 858473618 /nfs/dbraw/zinc/47/36/18/858473618.db2.gz FARRMSWYSZNYGT-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599426 858473625 /nfs/dbraw/zinc/47/36/25/858473625.db2.gz FARRMSWYSZNYGT-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599426 858473630 /nfs/dbraw/zinc/47/36/30/858473630.db2.gz FARRMSWYSZNYGT-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC001122137112 858695337 /nfs/dbraw/zinc/69/53/37/858695337.db2.gz LDJLGVOGMMZMCY-UHFFFAOYSA-N 2 1 313.323 1.928 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152528398 863416329 /nfs/dbraw/zinc/41/63/29/863416329.db2.gz GKBSNAQJMPNKRP-MRXNPFEDSA-N 2 1 305.422 1.198 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001157118849 863597355 /nfs/dbraw/zinc/59/73/55/863597355.db2.gz NCYKWPPGWDLAAZ-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001329476352 863689549 /nfs/dbraw/zinc/68/95/49/863689549.db2.gz ZHWURURYXGHZSS-LSDHHAIUSA-N 2 1 320.437 1.085 20 30 DDEDMP COCC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001329955172 863972787 /nfs/dbraw/zinc/97/27/87/863972787.db2.gz ZFUBRZJPPSVEPJ-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001330085917 864072467 /nfs/dbraw/zinc/07/24/67/864072467.db2.gz NPJKFQPXOYIESM-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC[C@H](C)F ZINC001153864206 864177599 /nfs/dbraw/zinc/17/75/99/864177599.db2.gz ICNOBORYTDIPQA-XHSDSOJGSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001153864206 864177605 /nfs/dbraw/zinc/17/76/05/864177605.db2.gz ICNOBORYTDIPQA-XHSDSOJGSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC[C@H](C)F ZINC001153864206 864177612 /nfs/dbraw/zinc/17/76/12/864177612.db2.gz ICNOBORYTDIPQA-XHSDSOJGSA-N 2 1 311.445 1.659 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC[C@H](C)F ZINC001153864206 864177615 /nfs/dbraw/zinc/17/76/15/864177615.db2.gz ICNOBORYTDIPQA-XHSDSOJGSA-N 2 1 311.445 1.659 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001158090281 864419950 /nfs/dbraw/zinc/41/99/50/864419950.db2.gz SDTYDYGXROAHNK-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001158090281 864419956 /nfs/dbraw/zinc/41/99/56/864419956.db2.gz SDTYDYGXROAHNK-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001158090281 864419963 /nfs/dbraw/zinc/41/99/63/864419963.db2.gz SDTYDYGXROAHNK-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC001330891049 864682256 /nfs/dbraw/zinc/68/22/56/864682256.db2.gz FCKFBOOBHGNFRR-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC001330891049 864682266 /nfs/dbraw/zinc/68/22/66/864682266.db2.gz FCKFBOOBHGNFRR-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC001330891049 864682278 /nfs/dbraw/zinc/68/22/78/864682278.db2.gz FCKFBOOBHGNFRR-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC001330891049 864682283 /nfs/dbraw/zinc/68/22/83/864682283.db2.gz FCKFBOOBHGNFRR-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001158533694 864707198 /nfs/dbraw/zinc/70/71/98/864707198.db2.gz GEQPOPOZIHLQMQ-JKSUJKDBSA-N 2 1 302.422 1.780 20 30 DDEDMP C#CCN(C)C[C@H]1CCCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001158533694 864707200 /nfs/dbraw/zinc/70/72/00/864707200.db2.gz GEQPOPOZIHLQMQ-JKSUJKDBSA-N 2 1 302.422 1.780 20 30 DDEDMP CC#CCN(C)C[C@H]1CCCCN1C(=O)Cc1[nH]cnc1C ZINC001158794231 864908668 /nfs/dbraw/zinc/90/86/68/864908668.db2.gz MACZWSQOOBBAMD-OAHLLOKOSA-N 2 1 302.422 1.597 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000775922589 881826760 /nfs/dbraw/zinc/82/67/60/881826760.db2.gz OIINAKDYKOGCRU-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000775922589 881826777 /nfs/dbraw/zinc/82/67/77/881826777.db2.gz OIINAKDYKOGCRU-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000775922589 881826794 /nfs/dbraw/zinc/82/67/94/881826794.db2.gz OIINAKDYKOGCRU-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000775922589 881826805 /nfs/dbraw/zinc/82/68/05/881826805.db2.gz OIINAKDYKOGCRU-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000775922589 881826818 /nfs/dbraw/zinc/82/68/18/881826818.db2.gz OIINAKDYKOGCRU-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001331649002 865211843 /nfs/dbraw/zinc/21/18/43/865211843.db2.gz RSKOYPFLFIPRCL-NVXWUHKLSA-N 2 1 301.434 1.749 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225541441 881895313 /nfs/dbraw/zinc/89/53/13/881895313.db2.gz CKKLXEMJVDLOMK-IYBDPMFKSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001225543580 881896621 /nfs/dbraw/zinc/89/66/21/881896621.db2.gz YCVJKKXUCUNOQH-IYBDPMFKSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001160197903 865722900 /nfs/dbraw/zinc/72/29/00/865722900.db2.gz NBOBGMNQMBVJHU-KRWDZBQOSA-N 2 1 317.408 1.519 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(F)cc1 ZINC001160197903 865722907 /nfs/dbraw/zinc/72/29/07/865722907.db2.gz NBOBGMNQMBVJHU-KRWDZBQOSA-N 2 1 317.408 1.519 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001160786614 866117644 /nfs/dbraw/zinc/11/76/44/866117644.db2.gz AMQIJHLVLBBHPZ-GOSISDBHSA-N 2 1 315.461 1.632 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N(C)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160956104 866215595 /nfs/dbraw/zinc/21/55/95/866215595.db2.gz GCDSXOUHBNYBGV-IEZWGBDMSA-N 2 1 313.445 1.706 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)N(C)[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001160956104 866215600 /nfs/dbraw/zinc/21/56/00/866215600.db2.gz GCDSXOUHBNYBGV-IEZWGBDMSA-N 2 1 313.445 1.706 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001323066755 866312221 /nfs/dbraw/zinc/31/22/21/866312221.db2.gz OQNFCFLIFZCQTQ-GDBMZVCRSA-N 2 1 302.422 1.424 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C1CC1 ZINC001323095448 866334769 /nfs/dbraw/zinc/33/47/69/866334769.db2.gz XRRPYUWIPMIAMZ-ROUUACIJSA-N 2 1 313.445 1.797 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161208017 866441911 /nfs/dbraw/zinc/44/19/11/866441911.db2.gz YHQSKYRFMDZROA-RDJZCZTQSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161208017 866441915 /nfs/dbraw/zinc/44/19/15/866441915.db2.gz YHQSKYRFMDZROA-RDJZCZTQSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161208017 866441918 /nfs/dbraw/zinc/44/19/18/866441918.db2.gz YHQSKYRFMDZROA-RDJZCZTQSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001161220122 866449274 /nfs/dbraw/zinc/44/92/74/866449274.db2.gz UWNRPRRZKXANOV-MRXNPFEDSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161220122 866449276 /nfs/dbraw/zinc/44/92/76/866449276.db2.gz UWNRPRRZKXANOV-MRXNPFEDSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001161220122 866449279 /nfs/dbraw/zinc/44/92/79/866449279.db2.gz UWNRPRRZKXANOV-MRXNPFEDSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001320115114 866485943 /nfs/dbraw/zinc/48/59/43/866485943.db2.gz OBUKGDXOMLNOOH-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870315 867054710 /nfs/dbraw/zinc/05/47/10/867054710.db2.gz ZWIUHFCMNDLRMX-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161870315 867054725 /nfs/dbraw/zinc/05/47/25/867054725.db2.gz ZWIUHFCMNDLRMX-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001161947033 867127508 /nfs/dbraw/zinc/12/75/08/867127508.db2.gz SQQQVDKPVPEEOO-UHFFFAOYSA-N 2 1 303.450 1.634 20 30 DDEDMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001321064181 867277712 /nfs/dbraw/zinc/27/77/12/867277712.db2.gz LSNIPOONIQEGCP-FYCOFBDGSA-N 2 1 303.450 1.536 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001324705077 867463526 /nfs/dbraw/zinc/46/35/26/867463526.db2.gz BFVFSSBMAYBKDT-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001324705077 867463542 /nfs/dbraw/zinc/46/35/42/867463542.db2.gz BFVFSSBMAYBKDT-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C#C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)C(C)C ZINC001335571796 868391891 /nfs/dbraw/zinc/39/18/91/868391891.db2.gz KSBOBQLGNRLLHP-IXDOHACOSA-N 2 1 318.465 1.254 20 30 DDEDMP CC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001338417887 869968357 /nfs/dbraw/zinc/96/83/57/869968357.db2.gz IROLJVISERNXQB-INIZCTEOSA-N 2 1 300.406 1.961 20 30 DDEDMP CC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001338417887 869968368 /nfs/dbraw/zinc/96/83/68/869968368.db2.gz IROLJVISERNXQB-INIZCTEOSA-N 2 1 300.406 1.961 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001317083737 870221898 /nfs/dbraw/zinc/22/18/98/870221898.db2.gz NUPNXLOXQFSLOV-KZNAEPCWSA-N 2 1 311.429 1.369 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001317337307 870666749 /nfs/dbraw/zinc/66/67/49/870666749.db2.gz KZJOYJWRSMCMLH-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001317787190 871503259 /nfs/dbraw/zinc/50/32/59/871503259.db2.gz DCOIXAZPLRJHEI-HOTGVXAUSA-N 2 1 314.433 1.297 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317842541 871580000 /nfs/dbraw/zinc/58/00/00/871580000.db2.gz TZPUFECAQFJNAY-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001318334285 871942594 /nfs/dbraw/zinc/94/25/94/871942594.db2.gz VHPQCHZPEJGSKF-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316806655 872077358 /nfs/dbraw/zinc/07/73/58/872077358.db2.gz KDDWRXSPFUIOLV-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316806655 872077377 /nfs/dbraw/zinc/07/73/77/872077377.db2.gz KDDWRXSPFUIOLV-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001316806844 872078769 /nfs/dbraw/zinc/07/87/69/872078769.db2.gz UARWRUVKQCBFGY-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001316806844 872078790 /nfs/dbraw/zinc/07/87/90/872078790.db2.gz UARWRUVKQCBFGY-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482811 872103404 /nfs/dbraw/zinc/10/34/04/872103404.db2.gz LXNRTWRKGCYQOU-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318482811 872103411 /nfs/dbraw/zinc/10/34/11/872103411.db2.gz LXNRTWRKGCYQOU-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318482811 872103423 /nfs/dbraw/zinc/10/34/23/872103423.db2.gz LXNRTWRKGCYQOU-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)CC1 ZINC001347813036 874281551 /nfs/dbraw/zinc/28/15/51/874281551.db2.gz DSQWCLXHAQTBEU-INIZCTEOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001208609814 874314751 /nfs/dbraw/zinc/31/47/51/874314751.db2.gz NDPYUXDYWQGYDO-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001208609814 874314763 /nfs/dbraw/zinc/31/47/63/874314763.db2.gz NDPYUXDYWQGYDO-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208609814 874314774 /nfs/dbraw/zinc/31/47/74/874314774.db2.gz NDPYUXDYWQGYDO-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208609814 874314784 /nfs/dbraw/zinc/31/47/84/874314784.db2.gz NDPYUXDYWQGYDO-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001208609815 874318314 /nfs/dbraw/zinc/31/83/14/874318314.db2.gz NDPYUXDYWQGYDO-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001208609815 874318325 /nfs/dbraw/zinc/31/83/25/874318325.db2.gz NDPYUXDYWQGYDO-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208609815 874318336 /nfs/dbraw/zinc/31/83/36/874318336.db2.gz NDPYUXDYWQGYDO-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208609815 874318343 /nfs/dbraw/zinc/31/83/43/874318343.db2.gz NDPYUXDYWQGYDO-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC001348446627 874564636 /nfs/dbraw/zinc/56/46/36/874564636.db2.gz IQJSHDURPPIZAN-GDBMZVCRSA-N 2 1 307.438 1.298 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210146300 875245793 /nfs/dbraw/zinc/24/57/93/875245793.db2.gz PCJGSCBWYOIDTJ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211767 882912055 /nfs/dbraw/zinc/91/20/55/882912055.db2.gz KXAADPPYHTYVGQ-HUUCEWRRSA-N 2 1 320.437 1.943 20 30 DDEDMP Cc1nsc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c1C#N ZINC001210261789 875292602 /nfs/dbraw/zinc/29/26/02/875292602.db2.gz GQMZPWWIRIRJLZ-UHFFFAOYSA-N 2 1 300.391 1.871 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001214880547 876492407 /nfs/dbraw/zinc/49/24/07/876492407.db2.gz OCWVZULMCGNUIK-GYPKSIOISA-N 2 1 309.841 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C/C=C/Cl)C1 ZINC001214880547 876492410 /nfs/dbraw/zinc/49/24/10/876492410.db2.gz OCWVZULMCGNUIK-GYPKSIOISA-N 2 1 309.841 1.273 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001219949667 878612599 /nfs/dbraw/zinc/61/25/99/878612599.db2.gz OXHRQOOWZCZTRI-CVEARBPZSA-N 2 1 314.389 1.075 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482095 879054095 /nfs/dbraw/zinc/05/40/95/879054095.db2.gz APCPQISLMGGGOR-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](O)C1 ZINC001220482095 879054110 /nfs/dbraw/zinc/05/41/10/879054110.db2.gz APCPQISLMGGGOR-CABCVRRESA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046591 880199627 /nfs/dbraw/zinc/19/96/27/880199627.db2.gz LEWNTAOESDWJOS-IAGOWNOFSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223569460 881011562 /nfs/dbraw/zinc/01/15/62/881011562.db2.gz DPEXDVHFQGVHMS-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223569460 881011578 /nfs/dbraw/zinc/01/15/78/881011578.db2.gz DPEXDVHFQGVHMS-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001276912087 881060509 /nfs/dbraw/zinc/06/05/09/881060509.db2.gz BJCNTCGDNFBMFB-HDICACEKSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@]2(C)C1 ZINC001276912087 881060526 /nfs/dbraw/zinc/06/05/26/881060526.db2.gz BJCNTCGDNFBMFB-HDICACEKSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229626231 884081917 /nfs/dbraw/zinc/08/19/17/884081917.db2.gz VGTHEDPHPYWCQH-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cn2)CC1 ZINC001232366410 886305478 /nfs/dbraw/zinc/30/54/78/886305478.db2.gz MHGHJBVZUJEYET-MRXNPFEDSA-N 2 1 313.449 1.959 20 30 DDEDMP C#CCCC[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001235276611 888523015 /nfs/dbraw/zinc/52/30/15/888523015.db2.gz TTYFWUVKRNTTNQ-UONOGXRCSA-N 2 1 318.339 1.417 20 30 DDEDMP C#CCCC[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@@]2(C(F)(F)F)C1 ZINC001235276611 888523024 /nfs/dbraw/zinc/52/30/24/888523024.db2.gz TTYFWUVKRNTTNQ-UONOGXRCSA-N 2 1 318.339 1.417 20 30 DDEDMP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@H+](CCCCC#N)C[C@H]2CC1 ZINC001277948839 888677352 /nfs/dbraw/zinc/67/73/52/888677352.db2.gz NUAWBDHBHBYDET-IYBDPMFKSA-N 2 1 306.454 1.412 20 30 DDEDMP C#Cc1cccc(C[N@H+]2C[C@H]3C[C@]4(C(=O)OC)C[NH2+]C[C@@H]4[C@H]3C2)c1 ZINC001236032591 889067398 /nfs/dbraw/zinc/06/73/98/889067398.db2.gz VDCRCXOVBRRZFB-RMJJICAUSA-N 2 1 324.424 1.498 20 30 DDEDMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(CCC[NH+](C)C)C3)cc1C#N ZINC001278049477 889494583 /nfs/dbraw/zinc/49/45/83/889494583.db2.gz KQUPXOBRJOUZEX-CALCHBBNSA-N 2 1 315.465 1.497 20 30 DDEDMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CCC[NH+](C)C)C3)cc1C#N ZINC001278049477 889494594 /nfs/dbraw/zinc/49/45/94/889494594.db2.gz KQUPXOBRJOUZEX-CALCHBBNSA-N 2 1 315.465 1.497 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001278562140 894247320 /nfs/dbraw/zinc/24/73/20/894247320.db2.gz MAGRZPQGCGDLKC-SFHVURJKSA-N 2 1 323.481 1.503 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC001262582670 900260084 /nfs/dbraw/zinc/26/00/84/900260084.db2.gz BWCXJUUPDOIFAS-UHFFFAOYSA-N 2 1 308.470 1.348 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001264421367 901108964 /nfs/dbraw/zinc/10/89/64/901108964.db2.gz FHCCVRSJJYMQGD-JYJNAYRXSA-N 2 1 316.449 1.904 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001265526048 902095624 /nfs/dbraw/zinc/09/56/24/902095624.db2.gz QDHVLNRXAZNFOY-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001265526048 902095629 /nfs/dbraw/zinc/09/56/29/902095629.db2.gz QDHVLNRXAZNFOY-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001265526048 902095631 /nfs/dbraw/zinc/09/56/31/902095631.db2.gz QDHVLNRXAZNFOY-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001265655403 902261234 /nfs/dbraw/zinc/26/12/34/902261234.db2.gz HKHUGGYXKGMRFO-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001265655403 902261251 /nfs/dbraw/zinc/26/12/51/902261251.db2.gz HKHUGGYXKGMRFO-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001265813382 902430484 /nfs/dbraw/zinc/43/04/84/902430484.db2.gz PSMPWPRLWBMEOM-DOTOQJQBSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266072530 902885218 /nfs/dbraw/zinc/88/52/18/902885218.db2.gz WTBIFYRGBYFJQP-IAGOWNOFSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001280434376 903674032 /nfs/dbraw/zinc/67/40/32/903674032.db2.gz SJAXQVWXJHISSX-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCN2CCOCC2)CC1 ZINC001280758556 903997749 /nfs/dbraw/zinc/99/77/49/903997749.db2.gz BXAWFYQCHGFNLO-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001280758556 903997761 /nfs/dbraw/zinc/99/77/61/903997761.db2.gz BXAWFYQCHGFNLO-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001280758556 903997772 /nfs/dbraw/zinc/99/77/72/903997772.db2.gz BXAWFYQCHGFNLO-MRXNPFEDSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001281035456 904338427 /nfs/dbraw/zinc/33/84/27/904338427.db2.gz AVWUIDNZUUXJAD-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001281142908 904468526 /nfs/dbraw/zinc/46/85/26/904468526.db2.gz LKLKKLWHZRTNME-AEFFLSMTSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001281193336 904547895 /nfs/dbraw/zinc/54/78/95/904547895.db2.gz RNXAOJOJHTVYEB-AEFFLSMTSA-N 2 1 323.481 1.380 20 30 DDEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2C)CC1 ZINC001282274228 905655550 /nfs/dbraw/zinc/65/55/50/905655550.db2.gz FBJREOVOCGIQTF-UHFFFAOYSA-N 2 1 302.422 1.574 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001284223228 908681288 /nfs/dbraw/zinc/68/12/88/908681288.db2.gz DPVWSRAMYNYTQR-IRXDYDNUSA-N 2 1 316.449 1.870 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001284372038 908901887 /nfs/dbraw/zinc/90/18/87/908901887.db2.gz KRRLSSCRIUGOJL-CHWSQXEVSA-N 2 1 321.387 1.739 20 30 DDEDMP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cc(F)ccc1C#N ZINC001394519823 909884115 /nfs/dbraw/zinc/88/41/15/909884115.db2.gz MWQWCBAGZIUJOH-ZDUSSCGKSA-N 2 1 320.412 1.586 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)C[NH+]1CCCC1 ZINC001375156438 915133817 /nfs/dbraw/zinc/13/38/17/915133817.db2.gz XEJGLSRDRXYVFY-HNNXBMFYSA-N 2 1 314.433 1.591 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001375848652 917120751 /nfs/dbraw/zinc/12/07/51/917120751.db2.gz ZVGIYKZRQYKTAB-INIZCTEOSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001375848652 917120759 /nfs/dbraw/zinc/12/07/59/917120759.db2.gz ZVGIYKZRQYKTAB-INIZCTEOSA-N 2 1 320.462 1.652 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623635135 365971364 /nfs/dbraw/zinc/97/13/64/365971364.db2.gz WDWYJCOOKRGGGL-OAHLLOKOSA-N 2 1 308.470 1.668 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000066243795 352985317 /nfs/dbraw/zinc/98/53/17/352985317.db2.gz QFLUMXWIFFTMLX-INIZCTEOSA-N 2 1 304.438 1.592 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492612 355599514 /nfs/dbraw/zinc/59/95/14/355599514.db2.gz BSLDDQFHRAJIKA-RRFJBIMHSA-N 2 1 322.453 1.098 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000592495163 355600350 /nfs/dbraw/zinc/60/03/50/355600350.db2.gz HZBHPWFNWQTCSA-IRXDYDNUSA-N 2 1 300.406 1.672 20 30 DDEDMP C[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000287551648 219580352 /nfs/dbraw/zinc/58/03/52/219580352.db2.gz PTQCKISHYVMKDX-RDJZCZTQSA-N 2 1 324.432 1.792 20 30 DDEDMP C[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000287551648 219580353 /nfs/dbraw/zinc/58/03/53/219580353.db2.gz PTQCKISHYVMKDX-RDJZCZTQSA-N 2 1 324.432 1.792 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000596613128 356932312 /nfs/dbraw/zinc/93/23/12/356932312.db2.gz BKRDJKOQGSIRIC-JYJNAYRXSA-N 2 1 323.485 1.640 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000596613128 356932314 /nfs/dbraw/zinc/93/23/14/356932314.db2.gz BKRDJKOQGSIRIC-JYJNAYRXSA-N 2 1 323.485 1.640 20 30 DDEDMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598719696 357703561 /nfs/dbraw/zinc/70/35/61/357703561.db2.gz JXLYKNLCVLPIAH-MRXNPFEDSA-N 2 1 310.486 1.294 20 30 DDEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599300860 357883120 /nfs/dbraw/zinc/88/31/20/357883120.db2.gz YANPVHPSMOWRIB-SJORKVTESA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599300860 357883121 /nfs/dbraw/zinc/88/31/21/357883121.db2.gz YANPVHPSMOWRIB-SJORKVTESA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599300860 357883123 /nfs/dbraw/zinc/88/31/23/357883123.db2.gz YANPVHPSMOWRIB-SJORKVTESA-N 2 1 323.481 1.864 20 30 DDEDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599313533 357888656 /nfs/dbraw/zinc/88/86/56/357888656.db2.gz CRCZGIMXKXDUBJ-KRWDZBQOSA-N 2 1 323.481 1.864 20 30 DDEDMP C[C@H](NC(=O)NC[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C[NH+](C)C ZINC000330989792 223161219 /nfs/dbraw/zinc/16/12/19/223161219.db2.gz SAQHYQUWJGOOPU-KBPBESRZSA-N 2 1 321.469 1.925 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000272890772 210281159 /nfs/dbraw/zinc/28/11/59/210281159.db2.gz ZFSANZQSDMJKMU-OAHLLOKOSA-N 2 1 320.481 1.977 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000104172220 407348235 /nfs/dbraw/zinc/34/82/35/407348235.db2.gz LYNMZHJGEZUAPQ-ZDUSSCGKSA-N 2 1 306.410 1.060 20 30 DDEDMP CN(C)C(=[NH2+])NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000170913753 407554139 /nfs/dbraw/zinc/55/41/39/407554139.db2.gz CMFWARJTPXZQAU-UHFFFAOYSA-N 2 1 303.454 1.071 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CC3)CC2)CC1 ZINC000171607205 407717215 /nfs/dbraw/zinc/71/72/15/407717215.db2.gz ABWGZUHVMYODSP-UHFFFAOYSA-N 2 1 320.481 1.907 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396701 407751692 /nfs/dbraw/zinc/75/16/92/407751692.db2.gz WNQPEUZUOKGRDO-STQMWFEESA-N 2 1 312.458 1.343 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NC[C@](C)(O)c1cc(C)oc1C ZINC000262372712 407814272 /nfs/dbraw/zinc/81/42/72/407814272.db2.gz KGMUXAIPPAAYIG-PBHICJAKSA-N 2 1 322.453 1.221 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)CCc1ccccc1 ZINC000273349311 408163906 /nfs/dbraw/zinc/16/39/06/408163906.db2.gz PVQCHWRVYJXPSP-DLBZAZTESA-N 2 1 318.465 1.369 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000157178916 408291605 /nfs/dbraw/zinc/29/16/05/408291605.db2.gz DECPFKPNGCWFGJ-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP COc1cc(C#N)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182960321 408295060 /nfs/dbraw/zinc/29/50/60/408295060.db2.gz XRYVOAFTCLUSDT-UHFFFAOYSA-N 2 1 316.449 1.636 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC000270432560 408533849 /nfs/dbraw/zinc/53/38/49/408533849.db2.gz OSYDORXKYXJGAO-OAHLLOKOSA-N 2 1 319.409 1.526 20 30 DDEDMP C#CCNC(=O)[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274815806 408542892 /nfs/dbraw/zinc/54/28/92/408542892.db2.gz IRNIUAJODCLNFP-XYJFISCASA-N 2 1 313.445 1.625 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274815806 408542896 /nfs/dbraw/zinc/54/28/96/408542896.db2.gz IRNIUAJODCLNFP-XYJFISCASA-N 2 1 313.445 1.625 20 30 DDEDMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233966 409006041 /nfs/dbraw/zinc/00/60/41/409006041.db2.gz WCTVYAQKOLCFQK-WMZOPIPTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233966 409006044 /nfs/dbraw/zinc/00/60/44/409006044.db2.gz WCTVYAQKOLCFQK-WMZOPIPTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233966 409006047 /nfs/dbraw/zinc/00/60/47/409006047.db2.gz WCTVYAQKOLCFQK-WMZOPIPTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)C1 ZINC000292233966 409006048 /nfs/dbraw/zinc/00/60/48/409006048.db2.gz WCTVYAQKOLCFQK-WMZOPIPTSA-N 2 1 315.417 1.326 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000294539309 409292809 /nfs/dbraw/zinc/29/28/09/409292809.db2.gz ANBPRJOYPFJBFY-CQSZACIVSA-N 2 1 323.462 1.664 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000294539309 409292811 /nfs/dbraw/zinc/29/28/11/409292811.db2.gz ANBPRJOYPFJBFY-CQSZACIVSA-N 2 1 323.462 1.664 20 30 DDEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2 ZINC000290528798 409434474 /nfs/dbraw/zinc/43/44/74/409434474.db2.gz WKNBNIFAZFFDQR-HNNXBMFYSA-N 2 1 317.437 1.448 20 30 DDEDMP OCC[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1CCO ZINC000351470870 410087502 /nfs/dbraw/zinc/08/75/02/410087502.db2.gz GIRDVBVWLGMAMV-QZTJIDSGSA-N 2 1 308.466 1.464 20 30 DDEDMP C=CCOc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352700585 410675218 /nfs/dbraw/zinc/67/52/18/410675218.db2.gz SMIMRIJXYVTHDJ-QGZVFWFLSA-N 2 1 301.434 1.731 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COc2ccccc21 ZINC000262258175 222273450 /nfs/dbraw/zinc/27/34/50/222273450.db2.gz FRDUMHRWTJIHIH-UONOGXRCSA-N 2 1 302.422 1.551 20 30 DDEDMP CCc1nc(C[NH+]2CCC(CNC3=[NH+]C[C@@H](C)N3)CC2)cs1 ZINC000262690258 222289967 /nfs/dbraw/zinc/28/99/67/222289967.db2.gz ZYZGJJAYPLEPNO-GFCCVEGCSA-N 2 1 321.494 1.855 20 30 DDEDMP C[NH+]1CCN(C[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000365273572 418849246 /nfs/dbraw/zinc/84/92/46/418849246.db2.gz KRUSGSXYUXXNKP-FQEVSTJZSA-N 2 1 311.473 1.998 20 30 DDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000365273572 418849249 /nfs/dbraw/zinc/84/92/49/418849249.db2.gz KRUSGSXYUXXNKP-FQEVSTJZSA-N 2 1 311.473 1.998 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000491767767 421202474 /nfs/dbraw/zinc/20/24/74/421202474.db2.gz HCXWFEXSPKOBSZ-INIZCTEOSA-N 2 1 308.470 1.219 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000491767767 421202476 /nfs/dbraw/zinc/20/24/76/421202476.db2.gz HCXWFEXSPKOBSZ-INIZCTEOSA-N 2 1 308.470 1.219 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000491767767 421202478 /nfs/dbraw/zinc/20/24/78/421202478.db2.gz HCXWFEXSPKOBSZ-INIZCTEOSA-N 2 1 308.470 1.219 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C#N)C3CC3)CC2)CC1 ZINC000518996986 421675746 /nfs/dbraw/zinc/67/57/46/421675746.db2.gz JXKHIUOALIGASB-QGZVFWFLSA-N 2 1 318.465 1.601 20 30 DDEDMP C=CC[NH+]1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631908792 421931743 /nfs/dbraw/zinc/93/17/43/421931743.db2.gz AHLFVQJITWVRRO-UHFFFAOYSA-N 2 1 315.483 1.042 20 30 DDEDMP C=CC[C@@]1(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662670272 424729897 /nfs/dbraw/zinc/72/98/97/424729897.db2.gz CWKRYNBZEIPCES-UXLLHSPISA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)nn1 ZINC000655940806 424694217 /nfs/dbraw/zinc/69/42/17/424694217.db2.gz YFJAYHVVBWTPRI-YQQAZPJKSA-N 2 1 319.453 1.573 20 30 DDEDMP C=CCCn1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)nn1 ZINC000655940806 424694221 /nfs/dbraw/zinc/69/42/21/424694221.db2.gz YFJAYHVVBWTPRI-YQQAZPJKSA-N 2 1 319.453 1.573 20 30 DDEDMP N#Cc1csc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000353667700 268319945 /nfs/dbraw/zinc/31/99/45/268319945.db2.gz DOMZDEHHRDPFFG-UHFFFAOYSA-N 2 1 320.462 1.702 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000491121846 275380905 /nfs/dbraw/zinc/38/09/05/275380905.db2.gz SMDYYLUEVWQNJY-MJGOQNOKSA-N 2 1 314.477 1.837 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000491121846 275380906 /nfs/dbraw/zinc/38/09/06/275380906.db2.gz SMDYYLUEVWQNJY-MJGOQNOKSA-N 2 1 314.477 1.837 20 30 DDEDMP C[C@@H]1CN(CC#CCN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000339615638 288135812 /nfs/dbraw/zinc/13/58/12/288135812.db2.gz LYNAFNPPTPLKOY-USTZCAOPSA-N 2 1 306.498 1.039 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000584286293 332213204 /nfs/dbraw/zinc/21/32/04/332213204.db2.gz DAVWOCJUPLOKEU-HNNXBMFYSA-N 2 1 310.463 1.866 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921026 336377161 /nfs/dbraw/zinc/37/71/61/336377161.db2.gz DRAWLASSAUAHSW-MYSGWJLTSA-N 2 1 306.454 1.598 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000247548709 341367302 /nfs/dbraw/zinc/36/73/02/341367302.db2.gz PRTRKQWERGEJDJ-NVXWUHKLSA-N 2 1 308.470 1.847 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000341095111 526593516 /nfs/dbraw/zinc/59/35/16/526593516.db2.gz UFTOXHSXCPTZKG-GDBMZVCRSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000491710241 526808965 /nfs/dbraw/zinc/80/89/65/526808965.db2.gz RESGRNUCPFGVSN-BRWVUGGUSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000491710241 526808972 /nfs/dbraw/zinc/80/89/72/526808972.db2.gz RESGRNUCPFGVSN-BRWVUGGUSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000491710241 526808977 /nfs/dbraw/zinc/80/89/77/526808977.db2.gz RESGRNUCPFGVSN-BRWVUGGUSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000491677365 526815180 /nfs/dbraw/zinc/81/51/80/526815180.db2.gz QMKRFWYKJWEWMR-MRXNPFEDSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000491677365 526815189 /nfs/dbraw/zinc/81/51/89/526815189.db2.gz QMKRFWYKJWEWMR-MRXNPFEDSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000491677365 526815195 /nfs/dbraw/zinc/81/51/95/526815195.db2.gz QMKRFWYKJWEWMR-MRXNPFEDSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@H+](CC)C[C@H]3C2)CC1 ZINC000980252369 696719308 /nfs/dbraw/zinc/71/93/08/696719308.db2.gz IBZSWUZLEBHFIF-RCCFBDPRSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971953260 695129406 /nfs/dbraw/zinc/12/94/06/695129406.db2.gz RKVWANMSQBSAKY-AWEZNQCLSA-N 2 1 302.422 1.481 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971953260 695129409 /nfs/dbraw/zinc/12/94/09/695129409.db2.gz RKVWANMSQBSAKY-AWEZNQCLSA-N 2 1 302.422 1.481 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972339112 695220937 /nfs/dbraw/zinc/22/09/37/695220937.db2.gz LDBIUQOZSIYQHD-YOEHRIQHSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972339112 695220939 /nfs/dbraw/zinc/22/09/39/695220939.db2.gz LDBIUQOZSIYQHD-YOEHRIQHSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972339112 695220942 /nfs/dbraw/zinc/22/09/42/695220942.db2.gz LDBIUQOZSIYQHD-YOEHRIQHSA-N 2 1 311.445 1.918 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC000977524986 696199834 /nfs/dbraw/zinc/19/98/34/696199834.db2.gz HWPIHTYAAFKMNH-QAPCUYQASA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C(C)(C)C1 ZINC000977524986 696199838 /nfs/dbraw/zinc/19/98/38/696199838.db2.gz HWPIHTYAAFKMNH-QAPCUYQASA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C(C)(C)C1 ZINC000977524986 696199840 /nfs/dbraw/zinc/19/98/40/696199840.db2.gz HWPIHTYAAFKMNH-QAPCUYQASA-N 2 1 305.466 1.875 20 30 DDEDMP Cc1ccc([C@@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+]2CCCC2)o1 ZINC000066246480 696350882 /nfs/dbraw/zinc/35/08/82/696350882.db2.gz AQZWVBBTZVHPAA-HUUCEWRRSA-N 2 1 320.437 1.808 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978411449 696378407 /nfs/dbraw/zinc/37/84/07/696378407.db2.gz KNMPLRGIQSCAFW-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978411449 696378410 /nfs/dbraw/zinc/37/84/10/696378410.db2.gz KNMPLRGIQSCAFW-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978411449 696378413 /nfs/dbraw/zinc/37/84/13/696378413.db2.gz KNMPLRGIQSCAFW-FJIDUMEYSA-N 2 1 317.477 1.424 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c[nH+]ccc3N(C)C)[C@@H]2C1 ZINC000978973962 696481769 /nfs/dbraw/zinc/48/17/69/696481769.db2.gz NNTFMIBQRDXLPQ-MKZZRHPPSA-N 2 1 312.417 1.079 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979081850 696493253 /nfs/dbraw/zinc/49/32/53/696493253.db2.gz WNJBSNPXTZPDHH-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979081850 696493255 /nfs/dbraw/zinc/49/32/55/696493255.db2.gz WNJBSNPXTZPDHH-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979081850 696493257 /nfs/dbraw/zinc/49/32/57/696493257.db2.gz WNJBSNPXTZPDHH-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981805831 696923671 /nfs/dbraw/zinc/92/36/71/696923671.db2.gz JIZAOZZYTZJYFY-QGZVFWFLSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805831 696923673 /nfs/dbraw/zinc/92/36/73/696923673.db2.gz JIZAOZZYTZJYFY-QGZVFWFLSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805831 696923676 /nfs/dbraw/zinc/92/36/76/696923676.db2.gz JIZAOZZYTZJYFY-QGZVFWFLSA-N 2 1 305.466 1.666 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283136 697082387 /nfs/dbraw/zinc/08/23/87/697082387.db2.gz NOTHIFXFOIINIJ-AHCXZYCDSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283136 697082390 /nfs/dbraw/zinc/08/23/90/697082390.db2.gz NOTHIFXFOIINIJ-AHCXZYCDSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC000982283136 697082392 /nfs/dbraw/zinc/08/23/92/697082392.db2.gz NOTHIFXFOIINIJ-AHCXZYCDSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982301032 697087872 /nfs/dbraw/zinc/08/78/72/697087872.db2.gz FILMCHGOPVQBFC-YTQUADARSA-N 2 1 319.493 1.766 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308052 697089490 /nfs/dbraw/zinc/08/94/90/697089490.db2.gz MARCJRBFHCTDHG-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308052 697089493 /nfs/dbraw/zinc/08/94/93/697089493.db2.gz MARCJRBFHCTDHG-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308052 697089496 /nfs/dbraw/zinc/08/94/96/697089496.db2.gz MARCJRBFHCTDHG-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982308268 697089643 /nfs/dbraw/zinc/08/96/43/697089643.db2.gz VNBTYQRVIXIHKK-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982308268 697089647 /nfs/dbraw/zinc/08/96/47/697089647.db2.gz VNBTYQRVIXIHKK-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@]2(C)C1 ZINC000982308268 697089649 /nfs/dbraw/zinc/08/96/49/697089649.db2.gz VNBTYQRVIXIHKK-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000985599187 697540286 /nfs/dbraw/zinc/54/02/86/697540286.db2.gz AVYDJUVDYKCPKA-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000985599187 697540287 /nfs/dbraw/zinc/54/02/87/697540287.db2.gz AVYDJUVDYKCPKA-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985599187 697540288 /nfs/dbraw/zinc/54/02/88/697540288.db2.gz AVYDJUVDYKCPKA-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985599187 697540290 /nfs/dbraw/zinc/54/02/90/697540290.db2.gz AVYDJUVDYKCPKA-QGZVFWFLSA-N 2 1 323.481 1.595 20 30 DDEDMP Cc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c(C)c1 ZINC000303901201 698610520 /nfs/dbraw/zinc/61/05/20/698610520.db2.gz XFXLJLDSTFPPPM-UHFFFAOYSA-N 2 1 318.465 1.473 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc([S@](C)=O)cc1 ZINC000304774210 698624858 /nfs/dbraw/zinc/62/48/58/698624858.db2.gz FSOZSIIDFAQDND-FPTDNZKUSA-N 2 1 322.478 1.313 20 30 DDEDMP C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801936642 700357840 /nfs/dbraw/zinc/35/78/40/700357840.db2.gz UXVHUZCFHFVBNL-BRWVUGGUSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CCC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801936642 700357844 /nfs/dbraw/zinc/35/78/44/700357844.db2.gz UXVHUZCFHFVBNL-BRWVUGGUSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[NH+](C)[C@@H]1CCC[N@H+](CCO[C@H](C)C#N)CC1 ZINC000801936642 700357849 /nfs/dbraw/zinc/35/78/49/700357849.db2.gz UXVHUZCFHFVBNL-BRWVUGGUSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[NH+](C)[C@@H]1CCC[N@@H+](CCO[C@H](C)C#N)CC1 ZINC000801936642 700357853 /nfs/dbraw/zinc/35/78/53/700357853.db2.gz UXVHUZCFHFVBNL-BRWVUGGUSA-N 2 1 322.453 1.630 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000879577004 706724558 /nfs/dbraw/zinc/72/45/58/706724558.db2.gz ZJDDMYGAHLVPST-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000879577004 706724562 /nfs/dbraw/zinc/72/45/62/706724562.db2.gz ZJDDMYGAHLVPST-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000879577004 706724566 /nfs/dbraw/zinc/72/45/66/706724566.db2.gz ZJDDMYGAHLVPST-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@H]21 ZINC000879577004 706724569 /nfs/dbraw/zinc/72/45/69/706724569.db2.gz ZJDDMYGAHLVPST-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000869801108 703854904 /nfs/dbraw/zinc/85/49/04/703854904.db2.gz OGQPXKXLQLTXJA-YJBOKZPZSA-N 2 1 315.461 1.989 20 30 DDEDMP COCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000818975837 704040200 /nfs/dbraw/zinc/04/02/00/704040200.db2.gz YNWXNFHVHSAFHU-QGZVFWFLSA-N 2 1 303.406 1.292 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cn1 ZINC000857234919 704568028 /nfs/dbraw/zinc/56/80/28/704568028.db2.gz NDPVIUVCFNHGLW-HNNXBMFYSA-N 2 1 313.405 1.966 20 30 DDEDMP C#CCCCCCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000876789741 705877792 /nfs/dbraw/zinc/87/77/92/705877792.db2.gz HOJSXYBLJJNMFX-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000876789741 705877799 /nfs/dbraw/zinc/87/77/99/705877799.db2.gz HOJSXYBLJJNMFX-KRWDZBQOSA-N 2 1 305.466 1.809 20 30 DDEDMP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCO1 ZINC000883185750 707950369 /nfs/dbraw/zinc/95/03/69/707950369.db2.gz DHWRRFVPXJAHMI-YESZJQIVSA-N 2 1 323.481 1.677 20 30 DDEDMP C=CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883185055 707950470 /nfs/dbraw/zinc/95/04/70/707950470.db2.gz NCZZKGYUQRTJFE-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C[N@@H+](CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CCCC1 ZINC000884212526 708193147 /nfs/dbraw/zinc/19/31/47/708193147.db2.gz HLNHKKZNUOFNDL-XOYHFGRZSA-N 2 1 304.438 1.116 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000884462151 708306386 /nfs/dbraw/zinc/30/63/86/708306386.db2.gz WLQUSSPGNVJGDC-GJZGRUSLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000884462151 708306389 /nfs/dbraw/zinc/30/63/89/708306389.db2.gz WLQUSSPGNVJGDC-GJZGRUSLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000884462151 708306391 /nfs/dbraw/zinc/30/63/91/708306391.db2.gz WLQUSSPGNVJGDC-GJZGRUSLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000884462151 708306394 /nfs/dbraw/zinc/30/63/94/708306394.db2.gz WLQUSSPGNVJGDC-GJZGRUSLSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891921507 710328192 /nfs/dbraw/zinc/32/81/92/710328192.db2.gz PIMGTCIGTBHERP-KRWDZBQOSA-N 2 1 306.454 1.117 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498880 711154008 /nfs/dbraw/zinc/15/40/08/711154008.db2.gz MMHZZNSGFFRNHC-WQVCFCJDSA-N 2 1 301.390 1.689 20 30 DDEDMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498880 711154013 /nfs/dbraw/zinc/15/40/13/711154013.db2.gz MMHZZNSGFFRNHC-WQVCFCJDSA-N 2 1 301.390 1.689 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000928651154 713251658 /nfs/dbraw/zinc/25/16/58/713251658.db2.gz OMZKZVIRNMCJKK-UHFFFAOYSA-N 2 1 309.373 1.095 20 30 DDEDMP C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000895667086 711573427 /nfs/dbraw/zinc/57/34/27/711573427.db2.gz YKINNIPIYZLRLD-JKSUJKDBSA-N 2 1 308.470 1.456 20 30 DDEDMP C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000895667086 711573428 /nfs/dbraw/zinc/57/34/28/711573428.db2.gz YKINNIPIYZLRLD-JKSUJKDBSA-N 2 1 308.470 1.456 20 30 DDEDMP C[C@H]1CN(c2ccccc2C=[NH+]N2CC[NH+](C)CC2)CCO1 ZINC000915933770 713435790 /nfs/dbraw/zinc/43/57/90/713435790.db2.gz HUZAPPBBANBXCU-HNNXBMFYSA-N 2 1 302.422 1.493 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC000917141814 713484713 /nfs/dbraw/zinc/48/47/13/713484713.db2.gz KEBJDXKCLWNKQD-UHFFFAOYSA-N 2 1 317.437 1.752 20 30 DDEDMP C#CC1(O)CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000931151840 714016621 /nfs/dbraw/zinc/01/66/21/714016621.db2.gz XBQASIFQPNMRLS-IBGZPJMESA-N 2 1 314.429 1.084 20 30 DDEDMP C#CC1(O)CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000931151840 714016624 /nfs/dbraw/zinc/01/66/24/714016624.db2.gz XBQASIFQPNMRLS-IBGZPJMESA-N 2 1 314.429 1.084 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000923428429 714352865 /nfs/dbraw/zinc/35/28/65/714352865.db2.gz YYQJNDWFQMZNNQ-MRXNPFEDSA-N 2 1 315.417 1.516 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000923428429 714352867 /nfs/dbraw/zinc/35/28/67/714352867.db2.gz YYQJNDWFQMZNNQ-MRXNPFEDSA-N 2 1 315.417 1.516 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000959848006 716316930 /nfs/dbraw/zinc/31/69/30/716316930.db2.gz IYLHOPNEHUNYMJ-LJISPDSOSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000959848006 716316935 /nfs/dbraw/zinc/31/69/35/716316935.db2.gz IYLHOPNEHUNYMJ-LJISPDSOSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959848006 716316940 /nfs/dbraw/zinc/31/69/40/716316940.db2.gz IYLHOPNEHUNYMJ-LJISPDSOSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000959848006 716316946 /nfs/dbraw/zinc/31/69/46/716316946.db2.gz IYLHOPNEHUNYMJ-LJISPDSOSA-N 2 1 311.857 1.658 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000960264738 716472532 /nfs/dbraw/zinc/47/25/32/716472532.db2.gz IPLIAWXUYYCMLJ-BDXSIMOUSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960264738 716472534 /nfs/dbraw/zinc/47/25/34/716472534.db2.gz IPLIAWXUYYCMLJ-BDXSIMOUSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC000960264738 716472535 /nfs/dbraw/zinc/47/25/35/716472535.db2.gz IPLIAWXUYYCMLJ-BDXSIMOUSA-N 2 1 319.493 1.977 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960276733 716477169 /nfs/dbraw/zinc/47/71/69/716477169.db2.gz BKSKFKMHVISLAN-CBZIJGRNSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC000960276733 716477167 /nfs/dbraw/zinc/47/71/67/716477167.db2.gz BKSKFKMHVISLAN-CBZIJGRNSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCC[NH+]1C(C)C ZINC000960276733 716477168 /nfs/dbraw/zinc/47/71/68/716477168.db2.gz BKSKFKMHVISLAN-CBZIJGRNSA-N 2 1 305.466 1.872 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000960303281 716485552 /nfs/dbraw/zinc/48/55/52/716485552.db2.gz GOOBEKRDLJWMGZ-POZUXBRTSA-N 2 1 311.429 1.333 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801728 716967347 /nfs/dbraw/zinc/96/73/47/716967347.db2.gz YJCLPFKOGWKFJJ-CABCVRRESA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000940801728 716967349 /nfs/dbraw/zinc/96/73/49/716967349.db2.gz YJCLPFKOGWKFJJ-CABCVRRESA-N 2 1 314.433 1.610 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943289965 718068977 /nfs/dbraw/zinc/06/89/77/718068977.db2.gz ULBMNLDQMMFVMH-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943289965 718068981 /nfs/dbraw/zinc/06/89/81/718068981.db2.gz ULBMNLDQMMFVMH-HZPDHXFCSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943877510 718214033 /nfs/dbraw/zinc/21/40/33/718214033.db2.gz ODDMEZANZYZJME-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945028223 718378187 /nfs/dbraw/zinc/37/81/87/718378187.db2.gz GBJVMTADFSRUCG-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947654111 719237456 /nfs/dbraw/zinc/23/74/56/719237456.db2.gz YYERTDNLCWINGX-GDBMZVCRSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@@H+](CCC)CC1 ZINC000948449549 719505387 /nfs/dbraw/zinc/50/53/87/719505387.db2.gz UCFCTEGFHIEGOV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[N@H+](CCC)CC1 ZINC000948449549 719505393 /nfs/dbraw/zinc/50/53/93/719505393.db2.gz UCFCTEGFHIEGOV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC)CC1 ZINC000948449549 719505396 /nfs/dbraw/zinc/50/53/96/719505396.db2.gz UCFCTEGFHIEGOV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCC)CC1 ZINC000948449549 719505399 /nfs/dbraw/zinc/50/53/99/719505399.db2.gz UCFCTEGFHIEGOV-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC(C)[N@H+](C)Cc1nn(-c2cc(CC#N)ccn2)c2c1CC[NH2+]C2 ZINC001164683473 719631676 /nfs/dbraw/zinc/63/16/76/719631676.db2.gz SNWFJZNYSLPUGQ-UHFFFAOYSA-N 2 1 324.432 1.819 20 30 DDEDMP CC(C)[N@@H+](C)Cc1nn(-c2cc(CC#N)ccn2)c2c1CC[NH2+]C2 ZINC001164683473 719631687 /nfs/dbraw/zinc/63/16/87/719631687.db2.gz SNWFJZNYSLPUGQ-UHFFFAOYSA-N 2 1 324.432 1.819 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968675089 719729289 /nfs/dbraw/zinc/72/92/89/719729289.db2.gz XFZOIIHGZNTBHE-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968675089 719729291 /nfs/dbraw/zinc/72/92/91/719729291.db2.gz XFZOIIHGZNTBHE-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970013676 720598932 /nfs/dbraw/zinc/59/89/32/720598932.db2.gz VKULDCBVEKBDMH-ZDUSSCGKSA-N 2 1 320.437 1.753 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000970724619 720910405 /nfs/dbraw/zinc/91/04/05/720910405.db2.gz SHHIXYOMKAMHNJ-QGZVFWFLSA-N 2 1 323.400 1.454 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001023554795 735309584 /nfs/dbraw/zinc/30/95/84/735309584.db2.gz PYFTYOWHKNGPAK-ULQDDVLXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554795 735309589 /nfs/dbraw/zinc/30/95/89/735309589.db2.gz PYFTYOWHKNGPAK-ULQDDVLXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001023554795 735309594 /nfs/dbraw/zinc/30/95/94/735309594.db2.gz PYFTYOWHKNGPAK-ULQDDVLXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC=C)C2)CC1 ZINC001027692817 738556765 /nfs/dbraw/zinc/55/67/65/738556765.db2.gz APUMJIXECMMUOU-QGZVFWFLSA-N 2 1 303.450 1.440 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001027692846 738556846 /nfs/dbraw/zinc/55/68/46/738556846.db2.gz OYUFTZAZQGQXSD-KRWDZBQOSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC)CC1 ZINC001021470067 733223629 /nfs/dbraw/zinc/22/36/29/733223629.db2.gz VDOFZLSLPLRUCC-AYHJJNSGSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021666797 733422202 /nfs/dbraw/zinc/42/22/02/733422202.db2.gz XFFSZYZLMJEDJK-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)C[N@H+](C)CCCCCC ZINC001168606788 751341978 /nfs/dbraw/zinc/34/19/78/751341978.db2.gz LWJOEVKSMNJAPQ-UHFFFAOYSA-N 2 1 313.486 1.797 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001022278920 734466379 /nfs/dbraw/zinc/46/63/79/734466379.db2.gz RNQASTFVFTYPCV-LJISPDSOSA-N 2 1 311.857 1.993 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001083230647 734557729 /nfs/dbraw/zinc/55/77/29/734557729.db2.gz KJMUIFKPBFAFOV-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001083230647 734557733 /nfs/dbraw/zinc/55/77/33/734557733.db2.gz KJMUIFKPBFAFOV-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001022610256 734635989 /nfs/dbraw/zinc/63/59/89/734635989.db2.gz KYUNWXFHPVUYMN-SOUVJXGZSA-N 2 1 302.422 1.567 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001023409647 735214470 /nfs/dbraw/zinc/21/44/70/735214470.db2.gz AYLCSDVLWIMYNT-ZWKOTPCHSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001023409647 735214472 /nfs/dbraw/zinc/21/44/72/735214472.db2.gz AYLCSDVLWIMYNT-ZWKOTPCHSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001023409647 735214473 /nfs/dbraw/zinc/21/44/73/735214473.db2.gz AYLCSDVLWIMYNT-ZWKOTPCHSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024021868 735608505 /nfs/dbraw/zinc/60/85/05/735608505.db2.gz LKEXUJSGVQODDZ-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC2CC2)C1 ZINC001024021868 735608507 /nfs/dbraw/zinc/60/85/07/735608507.db2.gz LKEXUJSGVQODDZ-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024467743 735849143 /nfs/dbraw/zinc/84/91/43/735849143.db2.gz GKQSOUJABSWAJA-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024467743 735849147 /nfs/dbraw/zinc/84/91/47/735849147.db2.gz GKQSOUJABSWAJA-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001024479713 735861319 /nfs/dbraw/zinc/86/13/19/735861319.db2.gz NYTFQOWGBHEHLY-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2nccn21 ZINC001024479713 735861323 /nfs/dbraw/zinc/86/13/23/735861323.db2.gz NYTFQOWGBHEHLY-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCF ZINC001024486719 735864134 /nfs/dbraw/zinc/86/41/34/735864134.db2.gz HBFDPHLDQSFXHJ-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001007350544 736313221 /nfs/dbraw/zinc/31/32/21/736313221.db2.gz QVJTYOCRDGBJFQ-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001025227857 736377903 /nfs/dbraw/zinc/37/79/03/736377903.db2.gz SWQYAPODEBYGBE-HZPDHXFCSA-N 2 1 314.433 1.821 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001026505357 737621886 /nfs/dbraw/zinc/62/18/86/737621886.db2.gz AIAQIVOJTCCZPH-GTPINHCMSA-N 2 1 305.466 1.615 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001027546046 738391538 /nfs/dbraw/zinc/39/15/38/738391538.db2.gz IEWKDUVUTMWBOX-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001027546046 738391541 /nfs/dbraw/zinc/39/15/41/738391541.db2.gz IEWKDUVUTMWBOX-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001027546046 738391545 /nfs/dbraw/zinc/39/15/45/738391545.db2.gz IEWKDUVUTMWBOX-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546046 738391550 /nfs/dbraw/zinc/39/15/50/738391550.db2.gz IEWKDUVUTMWBOX-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001027546046 738391553 /nfs/dbraw/zinc/39/15/53/738391553.db2.gz IEWKDUVUTMWBOX-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001028252520 739235607 /nfs/dbraw/zinc/23/56/07/739235607.db2.gz XAJSLFIKMCSDNF-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC ZINC001028252520 739235609 /nfs/dbraw/zinc/23/56/09/739235609.db2.gz XAJSLFIKMCSDNF-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028252520 739235611 /nfs/dbraw/zinc/23/56/11/739235611.db2.gz XAJSLFIKMCSDNF-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CCCC ZINC001028252520 739235614 /nfs/dbraw/zinc/23/56/14/739235614.db2.gz XAJSLFIKMCSDNF-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587095 739699386 /nfs/dbraw/zinc/69/93/86/739699386.db2.gz GFWDIRPBGZWUQQ-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587095 739699389 /nfs/dbraw/zinc/69/93/89/739699389.db2.gz GFWDIRPBGZWUQQ-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587095 739699390 /nfs/dbraw/zinc/69/93/90/739699390.db2.gz GFWDIRPBGZWUQQ-IRXDYDNUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595315 739763963 /nfs/dbraw/zinc/76/39/63/739763963.db2.gz XNGGKIWULIUOOY-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595315 739763967 /nfs/dbraw/zinc/76/39/67/739763967.db2.gz XNGGKIWULIUOOY-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595315 739763968 /nfs/dbraw/zinc/76/39/68/739763968.db2.gz XNGGKIWULIUOOY-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645950 739845246 /nfs/dbraw/zinc/84/52/46/739845246.db2.gz PDHJDEALIUPNIR-AWEZNQCLSA-N 2 1 320.437 1.754 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028645950 739845250 /nfs/dbraw/zinc/84/52/50/739845250.db2.gz PDHJDEALIUPNIR-AWEZNQCLSA-N 2 1 320.437 1.754 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840865 740781167 /nfs/dbraw/zinc/78/11/67/740781167.db2.gz RHQCJOPCNDLIEJ-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840865 740781170 /nfs/dbraw/zinc/78/11/70/740781170.db2.gz RHQCJOPCNDLIEJ-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840865 740781172 /nfs/dbraw/zinc/78/11/72/740781172.db2.gz RHQCJOPCNDLIEJ-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011174 740945655 /nfs/dbraw/zinc/94/56/55/740945655.db2.gz BPOGBWBVCMNMGI-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011174 740945656 /nfs/dbraw/zinc/94/56/56/740945656.db2.gz BPOGBWBVCMNMGI-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011174 740945657 /nfs/dbraw/zinc/94/56/57/740945657.db2.gz BPOGBWBVCMNMGI-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011174 740945659 /nfs/dbraw/zinc/94/56/59/740945659.db2.gz BPOGBWBVCMNMGI-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2C1 ZINC001088187375 741100696 /nfs/dbraw/zinc/10/06/96/741100696.db2.gz UXSPGISLWWINHI-CABCVRRESA-N 2 1 302.422 1.319 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001088323683 741386061 /nfs/dbraw/zinc/38/60/61/741386061.db2.gz VTTGVLLSOOHAJC-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622329 742021373 /nfs/dbraw/zinc/02/13/73/742021373.db2.gz QKHCAMUXRVZJND-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622329 742021379 /nfs/dbraw/zinc/02/13/79/742021379.db2.gz QKHCAMUXRVZJND-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622329 742021389 /nfs/dbraw/zinc/02/13/89/742021389.db2.gz QKHCAMUXRVZJND-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622329 742021393 /nfs/dbraw/zinc/02/13/93/742021393.db2.gz QKHCAMUXRVZJND-NJAFHUGGSA-N 2 1 317.477 1.996 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001035610250 751716973 /nfs/dbraw/zinc/71/69/73/751716973.db2.gz VOJRBPYWGLHIID-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035610250 751716979 /nfs/dbraw/zinc/71/69/79/751716979.db2.gz VOJRBPYWGLHIID-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001035610250 751716982 /nfs/dbraw/zinc/71/69/82/751716982.db2.gz VOJRBPYWGLHIID-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001076161428 742579457 /nfs/dbraw/zinc/57/94/57/742579457.db2.gz NCCKLWRRBDMKPC-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161428 742579459 /nfs/dbraw/zinc/57/94/59/742579459.db2.gz NCCKLWRRBDMKPC-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001076161428 742579462 /nfs/dbraw/zinc/57/94/62/742579462.db2.gz NCCKLWRRBDMKPC-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001076241397 742614288 /nfs/dbraw/zinc/61/42/88/742614288.db2.gz NLTHKEJUIDWDCJ-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076322759 742665872 /nfs/dbraw/zinc/66/58/72/742665872.db2.gz CGPFLCBZONBSPT-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001076322759 742665876 /nfs/dbraw/zinc/66/58/76/742665876.db2.gz CGPFLCBZONBSPT-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001181009184 743021284 /nfs/dbraw/zinc/02/12/84/743021284.db2.gz RLDYNFSLIWXUSG-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001181009184 743021294 /nfs/dbraw/zinc/02/12/94/743021294.db2.gz RLDYNFSLIWXUSG-SOLBZPMBSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184423096 744041779 /nfs/dbraw/zinc/04/17/79/744041779.db2.gz AGXDGAXPQATEMK-GARNVTTQSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC001185170508 744170852 /nfs/dbraw/zinc/17/08/52/744170852.db2.gz QDRGNGBYFUOBML-DLBZAZTESA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001099029797 744332977 /nfs/dbraw/zinc/33/29/77/744332977.db2.gz MUUVFFAKTLYZPH-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029797 744332980 /nfs/dbraw/zinc/33/29/80/744332980.db2.gz MUUVFFAKTLYZPH-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001099029797 744332986 /nfs/dbraw/zinc/33/29/86/744332986.db2.gz MUUVFFAKTLYZPH-RYRKJORJSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H]2C)CC1 ZINC001089059675 744479787 /nfs/dbraw/zinc/47/97/87/744479787.db2.gz VWPTYGBMPNLAQS-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992486834 744912391 /nfs/dbraw/zinc/91/23/91/744912391.db2.gz LGNYHHMXMJTHAK-WBVHZDCISA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992486834 744912395 /nfs/dbraw/zinc/91/23/95/744912395.db2.gz LGNYHHMXMJTHAK-WBVHZDCISA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001190248248 745161389 /nfs/dbraw/zinc/16/13/89/745161389.db2.gz ZJXDNURPLHWEQL-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190248248 745161391 /nfs/dbraw/zinc/16/13/91/745161391.db2.gz ZJXDNURPLHWEQL-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001190248248 745161392 /nfs/dbraw/zinc/16/13/92/745161392.db2.gz ZJXDNURPLHWEQL-YESZJQIVSA-N 2 1 323.481 1.452 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001190444224 745209379 /nfs/dbraw/zinc/20/93/79/745209379.db2.gz PUCRMELCFZZCNS-HNNXBMFYSA-N 2 1 319.474 1.979 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487305 745223989 /nfs/dbraw/zinc/22/39/89/745223989.db2.gz VXTAWPPADNIDKZ-ZWKOTPCHSA-N 2 1 313.445 1.837 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487305 745223994 /nfs/dbraw/zinc/22/39/94/745223994.db2.gz VXTAWPPADNIDKZ-ZWKOTPCHSA-N 2 1 313.445 1.837 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487305 745223999 /nfs/dbraw/zinc/22/39/99/745223999.db2.gz VXTAWPPADNIDKZ-ZWKOTPCHSA-N 2 1 313.445 1.837 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487305 745224004 /nfs/dbraw/zinc/22/40/04/745224004.db2.gz VXTAWPPADNIDKZ-ZWKOTPCHSA-N 2 1 313.445 1.837 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190901108 745355693 /nfs/dbraw/zinc/35/56/93/745355693.db2.gz UYNCDUOOYBUESS-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190901108 745355696 /nfs/dbraw/zinc/35/56/96/745355696.db2.gz UYNCDUOOYBUESS-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901108 745355703 /nfs/dbraw/zinc/35/57/03/745355703.db2.gz UYNCDUOOYBUESS-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190901108 745355708 /nfs/dbraw/zinc/35/57/08/745355708.db2.gz UYNCDUOOYBUESS-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355248 745766138 /nfs/dbraw/zinc/76/61/38/745766138.db2.gz QEWWNUAALBCJFM-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001192355248 745766140 /nfs/dbraw/zinc/76/61/40/745766140.db2.gz QEWWNUAALBCJFM-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001192656762 745847763 /nfs/dbraw/zinc/84/77/63/745847763.db2.gz VHPFXQQZANMZIL-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193792148 746194223 /nfs/dbraw/zinc/19/42/23/746194223.db2.gz YROOFOCANUWXAE-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001194153087 746292521 /nfs/dbraw/zinc/29/25/21/746292521.db2.gz BALKXAPGJIXITM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001194153087 746292523 /nfs/dbraw/zinc/29/25/23/746292523.db2.gz BALKXAPGJIXITM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194153087 746292528 /nfs/dbraw/zinc/29/25/28/746292528.db2.gz BALKXAPGJIXITM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001194153087 746292531 /nfs/dbraw/zinc/29/25/31/746292531.db2.gz BALKXAPGJIXITM-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993704079 746296602 /nfs/dbraw/zinc/29/66/02/746296602.db2.gz OFPGYDVIIKGJLT-ZBFHGGJFSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H]1C ZINC000993704079 746296604 /nfs/dbraw/zinc/29/66/04/746296604.db2.gz OFPGYDVIIKGJLT-ZBFHGGJFSA-N 2 1 317.433 1.947 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015696171 746419305 /nfs/dbraw/zinc/41/93/05/746419305.db2.gz WFJIFNNHOVOLOV-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015696171 746419309 /nfs/dbraw/zinc/41/93/09/746419309.db2.gz WFJIFNNHOVOLOV-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015696171 746419314 /nfs/dbraw/zinc/41/93/14/746419314.db2.gz WFJIFNNHOVOLOV-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC#CC)[C@H]2C)CC1 ZINC000994491978 746690110 /nfs/dbraw/zinc/69/01/10/746690110.db2.gz AZQZHKVIAZMOQV-FUHWJXTLSA-N 2 1 315.461 1.324 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089390415 746775694 /nfs/dbraw/zinc/77/56/94/746775694.db2.gz DNSGEHOCXLDPNM-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089390415 746775697 /nfs/dbraw/zinc/77/56/97/746775697.db2.gz DNSGEHOCXLDPNM-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC(C)(C)C1 ZINC001089390415 746775701 /nfs/dbraw/zinc/77/57/01/746775701.db2.gz DNSGEHOCXLDPNM-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089510974 747136256 /nfs/dbraw/zinc/13/62/56/747136256.db2.gz JOWJXEVHIQCNFH-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CCC)c1ccccc1OC ZINC001198967082 747664074 /nfs/dbraw/zinc/66/40/74/747664074.db2.gz BOSWJZXBKDTHQL-MRXNPFEDSA-N 2 1 317.433 1.417 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1OC ZINC001198967082 747664078 /nfs/dbraw/zinc/66/40/78/747664078.db2.gz BOSWJZXBKDTHQL-MRXNPFEDSA-N 2 1 317.433 1.417 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001089735245 747713587 /nfs/dbraw/zinc/71/35/87/747713587.db2.gz HLFHBQQIXYJICN-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001089735245 747713594 /nfs/dbraw/zinc/71/35/94/747713594.db2.gz HLFHBQQIXYJICN-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001089735245 747713606 /nfs/dbraw/zinc/71/36/06/747713606.db2.gz HLFHBQQIXYJICN-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001089735245 747713614 /nfs/dbraw/zinc/71/36/14/747713614.db2.gz HLFHBQQIXYJICN-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001033151122 748618193 /nfs/dbraw/zinc/61/81/93/748618193.db2.gz IJEZBNDPMUWALI-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001033151122 748618198 /nfs/dbraw/zinc/61/81/98/748618198.db2.gz IJEZBNDPMUWALI-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001033151122 748618203 /nfs/dbraw/zinc/61/82/03/748618203.db2.gz IJEZBNDPMUWALI-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC000995908230 749293486 /nfs/dbraw/zinc/29/34/86/749293486.db2.gz YIJHKXROALVARF-CVEARBPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108343590 761959987 /nfs/dbraw/zinc/95/99/87/761959987.db2.gz VIVDOJSLTIMGIW-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343590 761959993 /nfs/dbraw/zinc/95/99/93/761959993.db2.gz VIVDOJSLTIMGIW-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108343590 761959998 /nfs/dbraw/zinc/95/99/98/761959998.db2.gz VIVDOJSLTIMGIW-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001108355029 761974951 /nfs/dbraw/zinc/97/49/51/761974951.db2.gz UKFRLEPGYLSFFQ-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108355029 761974955 /nfs/dbraw/zinc/97/49/55/761974955.db2.gz UKFRLEPGYLSFFQ-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001108355029 761974962 /nfs/dbraw/zinc/97/49/62/761974962.db2.gz UKFRLEPGYLSFFQ-KRWDZBQOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001039376020 761977408 /nfs/dbraw/zinc/97/74/08/761977408.db2.gz JLPOQWFCKBMLKC-FGTMMUONSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095605881 750073761 /nfs/dbraw/zinc/07/37/61/750073761.db2.gz IQIVAGJKJZHPAX-IKGGRYGDSA-N 2 1 315.461 1.607 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111311355 750447440 /nfs/dbraw/zinc/44/74/40/750447440.db2.gz AMADAFPJXGVHJH-OAGGEKHMSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001034680061 750691538 /nfs/dbraw/zinc/69/15/38/750691538.db2.gz MPQSRZYGYUFMLM-JOCQHMNTSA-N 2 1 306.410 1.553 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619246 750850707 /nfs/dbraw/zinc/85/07/07/750850707.db2.gz SLNPGXHFYKMEPG-ZSHCYNCHSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114619624 750852024 /nfs/dbraw/zinc/85/20/24/750852024.db2.gz ZRYFYAOFLBEGCH-ZSHCYNCHSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471832 750950426 /nfs/dbraw/zinc/95/04/26/750950426.db2.gz HPMIBNWNAMVDQT-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC001000682090 762084997 /nfs/dbraw/zinc/08/49/97/762084997.db2.gz HPRFUKPDERHNEN-ZWKOTPCHSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001000682090 762085002 /nfs/dbraw/zinc/08/50/02/762085002.db2.gz HPRFUKPDERHNEN-ZWKOTPCHSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001000682090 762085008 /nfs/dbraw/zinc/08/50/08/762085008.db2.gz HPRFUKPDERHNEN-ZWKOTPCHSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CCC)CC2 ZINC001035188832 751289717 /nfs/dbraw/zinc/28/97/17/751289717.db2.gz LSUHRLSQYKZHCT-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035188832 751289718 /nfs/dbraw/zinc/28/97/18/751289718.db2.gz LSUHRLSQYKZHCT-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001035188832 751289720 /nfs/dbraw/zinc/28/97/20/751289720.db2.gz LSUHRLSQYKZHCT-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035245535 751326759 /nfs/dbraw/zinc/32/67/59/751326759.db2.gz RFGGNJJZMNKVGA-UHFFFAOYSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001108421478 762137546 /nfs/dbraw/zinc/13/75/46/762137546.db2.gz MODYRWRYDFEQDA-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001108421478 762137547 /nfs/dbraw/zinc/13/75/47/762137547.db2.gz MODYRWRYDFEQDA-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421478 762137548 /nfs/dbraw/zinc/13/75/48/762137548.db2.gz MODYRWRYDFEQDA-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421478 762137549 /nfs/dbraw/zinc/13/75/49/762137549.db2.gz MODYRWRYDFEQDA-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000999999915 753306131 /nfs/dbraw/zinc/30/61/31/753306131.db2.gz OSYKTESSVJOOJL-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000999999915 753306137 /nfs/dbraw/zinc/30/61/37/753306137.db2.gz OSYKTESSVJOOJL-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001006001490 753486757 /nfs/dbraw/zinc/48/67/57/753486757.db2.gz OEFCQRAFXCWUGB-SFHVURJKSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108024612 753575716 /nfs/dbraw/zinc/57/57/16/753575716.db2.gz NFIJFTMDADZERC-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024612 753575718 /nfs/dbraw/zinc/57/57/18/753575718.db2.gz NFIJFTMDADZERC-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001108024612 753575722 /nfs/dbraw/zinc/57/57/22/753575722.db2.gz NFIJFTMDADZERC-SJLPKXTDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001922789 754582036 /nfs/dbraw/zinc/58/20/36/754582036.db2.gz BPDDTDKCGQZMLZ-ZWKOTPCHSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001015232484 756180728 /nfs/dbraw/zinc/18/07/28/756180728.db2.gz GVTRWHZXMDCYND-CQSZACIVSA-N 2 1 311.389 1.648 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001082559089 756853268 /nfs/dbraw/zinc/85/32/68/756853268.db2.gz SGAWSGFVPYEPKL-KFWWJZLASA-N 2 1 302.422 1.773 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001082568766 756854883 /nfs/dbraw/zinc/85/48/83/756854883.db2.gz QHSMRNNJXPUXLR-OIISXLGYSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC2CCC2)C1 ZINC001082568766 756854886 /nfs/dbraw/zinc/85/48/86/756854886.db2.gz QHSMRNNJXPUXLR-OIISXLGYSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001016336517 756934629 /nfs/dbraw/zinc/93/46/29/756934629.db2.gz MEXSCALECTVNSZ-CVEARBPZSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001016336517 756934631 /nfs/dbraw/zinc/93/46/31/756934631.db2.gz MEXSCALECTVNSZ-CVEARBPZSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651987 757234668 /nfs/dbraw/zinc/23/46/68/757234668.db2.gz MWAUQWSPDLFQMN-CVEARBPZSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338112 757499491 /nfs/dbraw/zinc/49/94/91/757499491.db2.gz FUYCSPDMICBKNX-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084338112 757499482 /nfs/dbraw/zinc/49/94/82/757499482.db2.gz FUYCSPDMICBKNX-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084338112 757499488 /nfs/dbraw/zinc/49/94/88/757499488.db2.gz FUYCSPDMICBKNX-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405729 757562147 /nfs/dbraw/zinc/56/21/47/757562147.db2.gz ZYJPXYUUAQTHRQ-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405729 757562152 /nfs/dbraw/zinc/56/21/52/757562152.db2.gz ZYJPXYUUAQTHRQ-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405729 757562159 /nfs/dbraw/zinc/56/21/59/757562159.db2.gz ZYJPXYUUAQTHRQ-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001017611766 758080400 /nfs/dbraw/zinc/08/04/00/758080400.db2.gz YMVURIJBKVRMOZ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611766 758080405 /nfs/dbraw/zinc/08/04/05/758080405.db2.gz YMVURIJBKVRMOZ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001017611766 758080411 /nfs/dbraw/zinc/08/04/11/758080411.db2.gz YMVURIJBKVRMOZ-KURKYZTESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001084960939 758103562 /nfs/dbraw/zinc/10/35/62/758103562.db2.gz AGZJRUKYVZZQCY-SQNIBIBYSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC(=C)C)[C@H]2C1 ZINC001084960939 758103567 /nfs/dbraw/zinc/10/35/67/758103567.db2.gz AGZJRUKYVZZQCY-SQNIBIBYSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=C)C)[C@H]2C1 ZINC001084960939 758103571 /nfs/dbraw/zinc/10/35/71/758103571.db2.gz AGZJRUKYVZZQCY-SQNIBIBYSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC(=C)C)[C@H]2C1 ZINC001084960939 758103577 /nfs/dbraw/zinc/10/35/77/758103577.db2.gz AGZJRUKYVZZQCY-SQNIBIBYSA-N 2 1 315.461 1.583 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]21 ZINC001084971866 758113153 /nfs/dbraw/zinc/11/31/53/758113153.db2.gz FJFDECNCZOSLGO-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084971866 758113158 /nfs/dbraw/zinc/11/31/58/758113158.db2.gz FJFDECNCZOSLGO-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@@H]21 ZINC001084971866 758113160 /nfs/dbraw/zinc/11/31/60/758113160.db2.gz FJFDECNCZOSLGO-IKGGRYGDSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]21 ZINC001085049660 758180348 /nfs/dbraw/zinc/18/03/48/758180348.db2.gz QRIGYSNPCRIBOG-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001085094263 758232057 /nfs/dbraw/zinc/23/20/57/758232057.db2.gz LXWQEEZVNIGGNX-BBWFWOEESA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@@H]21 ZINC001085101665 758238946 /nfs/dbraw/zinc/23/89/46/758238946.db2.gz YDNJHDJQNBVZSC-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018024914 758485669 /nfs/dbraw/zinc/48/56/69/758485669.db2.gz CUVUOTYQPUSCED-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001018024914 758485676 /nfs/dbraw/zinc/48/56/76/758485676.db2.gz CUVUOTYQPUSCED-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001018180533 758607646 /nfs/dbraw/zinc/60/76/46/758607646.db2.gz XOHJURPLYPJUEJ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001018180533 758607650 /nfs/dbraw/zinc/60/76/50/758607650.db2.gz XOHJURPLYPJUEJ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001018180533 758607653 /nfs/dbraw/zinc/60/76/53/758607653.db2.gz XOHJURPLYPJUEJ-ZACQAIPSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001040730583 762664368 /nfs/dbraw/zinc/66/43/68/762664368.db2.gz WPXDARCRLWKWBZ-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001054142365 759219119 /nfs/dbraw/zinc/21/91/19/759219119.db2.gz BJIWJGPYFHLNQB-KRWDZBQOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001054152189 759233952 /nfs/dbraw/zinc/23/39/52/759233952.db2.gz BNBPITLHHBPIAD-AEFFLSMTSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191707 759277326 /nfs/dbraw/zinc/27/73/26/759277326.db2.gz KDGWPACIFBCATG-IEBWSBKVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198372 759285903 /nfs/dbraw/zinc/28/59/03/759285903.db2.gz WSDGRAWVYNRSCA-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054198372 759285908 /nfs/dbraw/zinc/28/59/08/759285908.db2.gz WSDGRAWVYNRSCA-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001054198372 759285913 /nfs/dbraw/zinc/28/59/13/759285913.db2.gz WSDGRAWVYNRSCA-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001054240715 759330425 /nfs/dbraw/zinc/33/04/25/759330425.db2.gz ZTNBOJUYSUBVEB-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240715 759330433 /nfs/dbraw/zinc/33/04/33/759330433.db2.gz ZTNBOJUYSUBVEB-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001054240715 759330441 /nfs/dbraw/zinc/33/04/41/759330441.db2.gz ZTNBOJUYSUBVEB-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001085687422 760016764 /nfs/dbraw/zinc/01/67/64/760016764.db2.gz ORDRQDZUHSDUPJ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687422 760016775 /nfs/dbraw/zinc/01/67/75/760016775.db2.gz ORDRQDZUHSDUPJ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001085687422 760016787 /nfs/dbraw/zinc/01/67/87/760016787.db2.gz ORDRQDZUHSDUPJ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001046850602 767983711 /nfs/dbraw/zinc/98/37/11/767983711.db2.gz XNOSFGVDXJSEMD-RLXIPRIJSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001046850602 767983713 /nfs/dbraw/zinc/98/37/13/767983713.db2.gz XNOSFGVDXJSEMD-RLXIPRIJSA-N 2 1 323.868 1.665 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001086365797 761496589 /nfs/dbraw/zinc/49/65/89/761496589.db2.gz DEABNVMHHJIPQW-VQHPVUNQSA-N 2 1 305.466 1.921 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000260136 761606664 /nfs/dbraw/zinc/60/66/64/761606664.db2.gz KICFQKGPFRVVCP-ZBFHGGJFSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC001040947762 762740101 /nfs/dbraw/zinc/74/01/01/762740101.db2.gz DHPCRQZYDAEHEJ-CALCHBBNSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001390857 762816928 /nfs/dbraw/zinc/81/69/28/762816928.db2.gz AFCUIAXEYFSBII-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001424104 762851582 /nfs/dbraw/zinc/85/15/82/762851582.db2.gz HFTWSPWTVVSTEO-DLBZAZTESA-N 2 1 321.465 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001041358449 762978128 /nfs/dbraw/zinc/97/81/28/762978128.db2.gz OGQKUBYMNSTNLF-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001041358449 762978133 /nfs/dbraw/zinc/97/81/33/762978133.db2.gz OGQKUBYMNSTNLF-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC001041358449 762978135 /nfs/dbraw/zinc/97/81/35/762978135.db2.gz OGQKUBYMNSTNLF-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357818 762978545 /nfs/dbraw/zinc/97/85/45/762978545.db2.gz IZLRGIKDRICZIR-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357818 762978548 /nfs/dbraw/zinc/97/85/48/762978548.db2.gz IZLRGIKDRICZIR-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357818 762978555 /nfs/dbraw/zinc/97/85/55/762978555.db2.gz IZLRGIKDRICZIR-MJGOQNOKSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041477610 763063632 /nfs/dbraw/zinc/06/36/32/763063632.db2.gz AGKLCVXQGXYRGS-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041477610 763063634 /nfs/dbraw/zinc/06/36/34/763063634.db2.gz AGKLCVXQGXYRGS-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)C1 ZINC001041601062 763171122 /nfs/dbraw/zinc/17/11/22/763171122.db2.gz XJDTVYOODQWAPB-AEFFLSMTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001041601062 763171129 /nfs/dbraw/zinc/17/11/29/763171129.db2.gz XJDTVYOODQWAPB-AEFFLSMTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041601062 763171138 /nfs/dbraw/zinc/17/11/38/763171138.db2.gz XJDTVYOODQWAPB-AEFFLSMTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001041601062 763171151 /nfs/dbraw/zinc/17/11/51/763171151.db2.gz XJDTVYOODQWAPB-AEFFLSMTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001169991632 763543322 /nfs/dbraw/zinc/54/33/22/763543322.db2.gz PFNJGLFDBHZSMS-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001169991632 763543330 /nfs/dbraw/zinc/54/33/30/763543330.db2.gz PFNJGLFDBHZSMS-CVEARBPZSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001046953194 768147411 /nfs/dbraw/zinc/14/74/11/768147411.db2.gz HBOKKHBTILJBNI-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001046953194 768147414 /nfs/dbraw/zinc/14/74/14/768147414.db2.gz HBOKKHBTILJBNI-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046953194 768147416 /nfs/dbraw/zinc/14/74/16/768147416.db2.gz HBOKKHBTILJBNI-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001046953194 768147419 /nfs/dbraw/zinc/14/74/19/768147419.db2.gz HBOKKHBTILJBNI-KBPBESRZSA-N 2 1 313.392 1.177 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)C[C@@H]21 ZINC001042122023 763675105 /nfs/dbraw/zinc/67/51/05/763675105.db2.gz KYTVDFBARALHMD-QAPCUYQASA-N 2 1 322.412 1.812 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109555100 763818248 /nfs/dbraw/zinc/81/82/48/763818248.db2.gz HJDLRSNAFKLPEB-IKGGRYGDSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109555100 763818257 /nfs/dbraw/zinc/81/82/57/763818257.db2.gz HJDLRSNAFKLPEB-IKGGRYGDSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001042314390 763904494 /nfs/dbraw/zinc/90/44/94/763904494.db2.gz PETQXERIBXAYOU-HZPDHXFCSA-N 2 1 301.434 1.028 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001112563072 764405140 /nfs/dbraw/zinc/40/51/40/764405140.db2.gz DQGPAAXVFKAWBH-AOIWGVFYSA-N 2 1 317.477 1.570 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131681660 768259488 /nfs/dbraw/zinc/25/94/88/768259488.db2.gz GBXNTDWCYKGVTO-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131691953 768274570 /nfs/dbraw/zinc/27/45/70/768274570.db2.gz BTPLAGBLWMJRPT-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052529275 765924216 /nfs/dbraw/zinc/92/42/16/765924216.db2.gz AVGDZVAFIZAFMR-MRXNPFEDSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663458 766051130 /nfs/dbraw/zinc/05/11/30/766051130.db2.gz SCHAZKDADHJYSR-MRXNPFEDSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438375 766306827 /nfs/dbraw/zinc/30/68/27/766306827.db2.gz RMHRFTNETTYHIM-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001045555824 766399301 /nfs/dbraw/zinc/39/93/01/766399301.db2.gz BCKDQTHLTLSWHH-OCCSQVGLSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001045555824 766399312 /nfs/dbraw/zinc/39/93/12/766399312.db2.gz BCKDQTHLTLSWHH-OCCSQVGLSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001114262648 766833148 /nfs/dbraw/zinc/83/31/48/766833148.db2.gz HQEBFIOQFJHUSM-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114262648 766833159 /nfs/dbraw/zinc/83/31/59/766833159.db2.gz HQEBFIOQFJHUSM-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114262648 766833172 /nfs/dbraw/zinc/83/31/72/766833172.db2.gz HQEBFIOQFJHUSM-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F)C1CCC1 ZINC001129531719 766917150 /nfs/dbraw/zinc/91/71/50/766917150.db2.gz HLHCSIMKCPWBRE-UHFFFAOYSA-N 2 1 318.396 1.387 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001129790783 766995550 /nfs/dbraw/zinc/99/55/50/766995550.db2.gz HTMRRBBUQOTEHZ-YOEHRIQHSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001129790783 766995556 /nfs/dbraw/zinc/99/55/56/766995556.db2.gz HTMRRBBUQOTEHZ-YOEHRIQHSA-N 2 1 317.408 1.690 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001046329926 767428437 /nfs/dbraw/zinc/42/84/37/767428437.db2.gz CTNNGKFKRHCHOJ-RDJZCZTQSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCN1CC[C@](C)(NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001046329926 767428442 /nfs/dbraw/zinc/42/84/42/767428442.db2.gz CTNNGKFKRHCHOJ-RDJZCZTQSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C2 ZINC001096103528 767655043 /nfs/dbraw/zinc/65/50/43/767655043.db2.gz RAVKHZMVQQGBFS-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001096103528 767655047 /nfs/dbraw/zinc/65/50/47/767655047.db2.gz RAVKHZMVQQGBFS-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096103528 767655048 /nfs/dbraw/zinc/65/50/48/767655048.db2.gz RAVKHZMVQQGBFS-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C(C)C)C2 ZINC001096103528 767655052 /nfs/dbraw/zinc/65/50/52/767655052.db2.gz RAVKHZMVQQGBFS-QZWWFDLISA-N 2 1 303.450 1.604 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567499 767695063 /nfs/dbraw/zinc/69/50/63/767695063.db2.gz KEOKAFVTCJJVEU-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567499 767695068 /nfs/dbraw/zinc/69/50/68/767695068.db2.gz KEOKAFVTCJJVEU-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567499 767695073 /nfs/dbraw/zinc/69/50/73/767695073.db2.gz KEOKAFVTCJJVEU-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567499 767695078 /nfs/dbraw/zinc/69/50/78/767695078.db2.gz KEOKAFVTCJJVEU-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001047380100 768436756 /nfs/dbraw/zinc/43/67/56/768436756.db2.gz ZFGYUSHAAHWEGS-HOTGVXAUSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132106152 768632163 /nfs/dbraw/zinc/63/21/63/768632163.db2.gz QRPXVGRVEOLAOO-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132106152 768632164 /nfs/dbraw/zinc/63/21/64/768632164.db2.gz QRPXVGRVEOLAOO-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132106152 768632165 /nfs/dbraw/zinc/63/21/65/768632165.db2.gz QRPXVGRVEOLAOO-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132360676 768786092 /nfs/dbraw/zinc/78/60/92/768786092.db2.gz UZKOXDBJVQPUOB-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@H]1C ZINC001132360676 768786098 /nfs/dbraw/zinc/78/60/98/768786098.db2.gz UZKOXDBJVQPUOB-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096268456 768853049 /nfs/dbraw/zinc/85/30/49/768853049.db2.gz ZSFNKTWHADLOSF-IKGGRYGDSA-N 2 1 303.450 1.462 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001096268456 768853057 /nfs/dbraw/zinc/85/30/57/768853057.db2.gz ZSFNKTWHADLOSF-IKGGRYGDSA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[C@@H]1C ZINC001132525681 768945941 /nfs/dbraw/zinc/94/59/41/768945941.db2.gz UJIZIUPVFCFQIO-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001132993103 769400615 /nfs/dbraw/zinc/40/06/15/769400615.db2.gz NLARXRGWNGOSCZ-UHFFFAOYSA-N 2 1 318.396 1.245 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001048510280 769470184 /nfs/dbraw/zinc/47/01/84/769470184.db2.gz MBDAIXMHWSFKST-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C[C@H]2C1 ZINC001048959168 770166478 /nfs/dbraw/zinc/16/64/78/770166478.db2.gz DWRNAJLFQHPUFE-FGTMMUONSA-N 2 1 317.477 1.827 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001133869647 770392466 /nfs/dbraw/zinc/39/24/66/770392466.db2.gz IDPXNEXACHTZFN-DOMZBBRYSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086721113 770943917 /nfs/dbraw/zinc/94/39/17/770943917.db2.gz HBQPMYMZESSPMP-KSZLIROESA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001086721113 770943923 /nfs/dbraw/zinc/94/39/23/770943923.db2.gz HBQPMYMZESSPMP-KSZLIROESA-N 2 1 317.477 1.759 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049761317 771140477 /nfs/dbraw/zinc/14/04/77/771140477.db2.gz HEPQBUOQIAUNKR-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135675520 771644557 /nfs/dbraw/zinc/64/45/57/771644557.db2.gz HNYJIGFHJTXVEE-KBPBESRZSA-N 2 1 317.861 1.334 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001090674358 772095292 /nfs/dbraw/zinc/09/52/92/772095292.db2.gz STFMJECICKYBND-SJORKVTESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001073679524 773298843 /nfs/dbraw/zinc/29/88/43/773298843.db2.gz OGAJHXYEVOUXHX-INIZCTEOSA-N 2 1 314.389 1.341 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899278 773509588 /nfs/dbraw/zinc/50/95/88/773509588.db2.gz PLWLUQQXXIBQLG-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899278 773509590 /nfs/dbraw/zinc/50/95/90/773509590.db2.gz PLWLUQQXXIBQLG-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899278 773509594 /nfs/dbraw/zinc/50/95/94/773509594.db2.gz PLWLUQQXXIBQLG-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738473 773555445 /nfs/dbraw/zinc/55/54/45/773555445.db2.gz ZRLFJNDMMPYFRM-VKJFTORMSA-N 2 1 312.417 1.174 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@]2(C)C1 ZINC001091738473 773555448 /nfs/dbraw/zinc/55/54/48/773555448.db2.gz ZRLFJNDMMPYFRM-VKJFTORMSA-N 2 1 312.417 1.174 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758970 773626007 /nfs/dbraw/zinc/62/60/07/773626007.db2.gz TWYIFOAPSRCLIZ-RYRKJORJSA-N 2 1 305.466 1.376 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736486 774430431 /nfs/dbraw/zinc/43/04/31/774430431.db2.gz AHRCRZRFYQEKRR-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036736486 774430437 /nfs/dbraw/zinc/43/04/37/774430437.db2.gz AHRCRZRFYQEKRR-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036736486 774430441 /nfs/dbraw/zinc/43/04/41/774430441.db2.gz AHRCRZRFYQEKRR-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](CC)CC ZINC001099276162 774929319 /nfs/dbraw/zinc/92/93/19/774929319.db2.gz NUJVSLMGVKGFHI-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001099298289 774936182 /nfs/dbraw/zinc/93/61/82/774936182.db2.gz KJDSGNMSEXZWHI-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099298289 774936186 /nfs/dbraw/zinc/93/61/86/774936186.db2.gz KJDSGNMSEXZWHI-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001099298289 774936193 /nfs/dbraw/zinc/93/61/93/774936193.db2.gz KJDSGNMSEXZWHI-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001099316544 774945060 /nfs/dbraw/zinc/94/50/60/774945060.db2.gz UWSIJBAAUHXUDK-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099316544 774945061 /nfs/dbraw/zinc/94/50/61/774945061.db2.gz UWSIJBAAUHXUDK-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001099316544 774945062 /nfs/dbraw/zinc/94/50/62/774945062.db2.gz UWSIJBAAUHXUDK-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036872167 775010229 /nfs/dbraw/zinc/01/02/29/775010229.db2.gz XENXNCWFLFRZAH-CVEARBPZSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H](O)C1 ZINC001099930542 775236446 /nfs/dbraw/zinc/23/64/46/775236446.db2.gz HVIWRLPGEZABNA-JKSUJKDBSA-N 2 1 323.481 1.236 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001171762392 776449410 /nfs/dbraw/zinc/44/94/10/776449410.db2.gz CCSDNXACMFEGCC-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001094951153 776891418 /nfs/dbraw/zinc/89/14/18/776891418.db2.gz DUQARPOAVNTHCV-IHRRRGAJSA-N 2 1 318.421 1.505 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101461526 777154851 /nfs/dbraw/zinc/15/48/51/777154851.db2.gz GZWISNSKIFBZLJ-AEFFLSMTSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001101551719 777240457 /nfs/dbraw/zinc/24/04/57/777240457.db2.gz YWILVJYLICOKII-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102086314 777864290 /nfs/dbraw/zinc/86/42/90/777864290.db2.gz ZIDJWKUQVZWCJJ-MRVWCRGKSA-N 2 1 301.862 1.763 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150588684 778138835 /nfs/dbraw/zinc/13/88/35/778138835.db2.gz QWFCRAOEKYLUHL-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588684 778138842 /nfs/dbraw/zinc/13/88/42/778138842.db2.gz QWFCRAOEKYLUHL-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150588684 778138848 /nfs/dbraw/zinc/13/88/48/778138848.db2.gz QWFCRAOEKYLUHL-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466172 778155122 /nfs/dbraw/zinc/15/51/22/778155122.db2.gz IFEVZGBFUBOTRN-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466172 778155124 /nfs/dbraw/zinc/15/51/24/778155124.db2.gz IFEVZGBFUBOTRN-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514908 778179163 /nfs/dbraw/zinc/17/91/63/778179163.db2.gz UNCHIVOMGYMZLB-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514908 778179171 /nfs/dbraw/zinc/17/91/71/778179171.db2.gz UNCHIVOMGYMZLB-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102514908 778179177 /nfs/dbraw/zinc/17/91/77/778179177.db2.gz UNCHIVOMGYMZLB-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102514389 778180069 /nfs/dbraw/zinc/18/00/69/778180069.db2.gz VYOBOOZCILFWSZ-VHDGCEQUSA-N 2 1 313.873 1.765 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102514389 778180073 /nfs/dbraw/zinc/18/00/73/778180073.db2.gz VYOBOOZCILFWSZ-VHDGCEQUSA-N 2 1 313.873 1.765 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103007800 778553743 /nfs/dbraw/zinc/55/37/43/778553743.db2.gz XLHKZSQHIKEGTB-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103007800 778553746 /nfs/dbraw/zinc/55/37/46/778553746.db2.gz XLHKZSQHIKEGTB-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103007800 778553749 /nfs/dbraw/zinc/55/37/49/778553749.db2.gz XLHKZSQHIKEGTB-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233817 778726632 /nfs/dbraw/zinc/72/66/32/778726632.db2.gz TVOIEGKYTROFGJ-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103233817 778726635 /nfs/dbraw/zinc/72/66/35/778726635.db2.gz TVOIEGKYTROFGJ-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103364140 778819932 /nfs/dbraw/zinc/81/99/32/778819932.db2.gz CHLYQJULTUIGCG-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103364140 778819937 /nfs/dbraw/zinc/81/99/37/778819937.db2.gz CHLYQJULTUIGCG-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103364140 778819942 /nfs/dbraw/zinc/81/99/42/778819942.db2.gz CHLYQJULTUIGCG-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001103721629 779011695 /nfs/dbraw/zinc/01/16/95/779011695.db2.gz ZYIDDWRJUHGXSM-ZACQAIPSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001103721629 779011702 /nfs/dbraw/zinc/01/17/02/779011702.db2.gz ZYIDDWRJUHGXSM-ZACQAIPSSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001103721629 779011709 /nfs/dbraw/zinc/01/17/09/779011709.db2.gz ZYIDDWRJUHGXSM-ZACQAIPSSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH2+]CCCCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001178693062 779144534 /nfs/dbraw/zinc/14/45/34/779144534.db2.gz JGAZWFYBDLPZRY-OAHLLOKOSA-N 2 1 302.422 1.660 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902186 779222251 /nfs/dbraw/zinc/22/22/51/779222251.db2.gz DUTPZAADJWIICG-HOCLYGCPSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001112285049 779689443 /nfs/dbraw/zinc/68/94/43/779689443.db2.gz KBSYDVACOGUKLB-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001115249276 779979112 /nfs/dbraw/zinc/97/91/12/779979112.db2.gz ALNOOHPFAWZWPJ-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC001115730943 780381317 /nfs/dbraw/zinc/38/13/17/780381317.db2.gz VMAIXFKZUFREEL-HZPDHXFCSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCCC[N@H+](C)CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001267198372 837521411 /nfs/dbraw/zinc/52/14/11/837521411.db2.gz NHMOXNCYGPQGHN-MRXNPFEDSA-N 2 1 319.453 1.804 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267292473 837760173 /nfs/dbraw/zinc/76/01/73/837760173.db2.gz BGQDEIPBOUTFJO-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001271819199 844131606 /nfs/dbraw/zinc/13/16/06/844131606.db2.gz HXTGPUSFWUQAKE-QGZVFWFLSA-N 2 1 313.445 1.580 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267055180 837261636 /nfs/dbraw/zinc/26/16/36/837261636.db2.gz HIGSZEMFGGMLJS-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001267117135 837382464 /nfs/dbraw/zinc/38/24/64/837382464.db2.gz NIQJHYSGKPHYAJ-UHFFFAOYSA-N 2 1 302.422 1.446 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267494371 838176405 /nfs/dbraw/zinc/17/64/05/838176405.db2.gz SNCOJUPBODCNDO-RDJZCZTQSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267565088 838315360 /nfs/dbraw/zinc/31/53/60/838315360.db2.gz YCXGMROJBNGSEO-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267565088 838315368 /nfs/dbraw/zinc/31/53/68/838315368.db2.gz YCXGMROJBNGSEO-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267570667 838329430 /nfs/dbraw/zinc/32/94/30/838329430.db2.gz DCRIJPCCRNAORY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267570667 838329437 /nfs/dbraw/zinc/32/94/37/838329437.db2.gz DCRIJPCCRNAORY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267570667 838329441 /nfs/dbraw/zinc/32/94/41/838329441.db2.gz DCRIJPCCRNAORY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267570667 838329446 /nfs/dbraw/zinc/32/94/46/838329446.db2.gz DCRIJPCCRNAORY-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576812 838346773 /nfs/dbraw/zinc/34/67/73/838346773.db2.gz YXVLOPFPVIQSLQ-INIZCTEOSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001267576812 838346781 /nfs/dbraw/zinc/34/67/81/838346781.db2.gz YXVLOPFPVIQSLQ-INIZCTEOSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001267790696 838985800 /nfs/dbraw/zinc/98/58/00/838985800.db2.gz SBDQMSRUYVDITD-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001267966860 839287418 /nfs/dbraw/zinc/28/74/18/839287418.db2.gz TZICPKNWEZFRSJ-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001267970419 839294074 /nfs/dbraw/zinc/29/40/74/839294074.db2.gz QTJRCOSCZDLACJ-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001272043441 844423801 /nfs/dbraw/zinc/42/38/01/844423801.db2.gz MLRXMESFLLCBJO-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268110532 839700324 /nfs/dbraw/zinc/70/03/24/839700324.db2.gz GNZUOHRXAQGMBS-CVEARBPZSA-N 2 1 316.449 1.508 20 30 DDEDMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268110538 839700856 /nfs/dbraw/zinc/70/08/56/839700856.db2.gz GNZUOHRXAQGMBS-JKSUJKDBSA-N 2 1 316.449 1.508 20 30 DDEDMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268166327 839782056 /nfs/dbraw/zinc/78/20/56/839782056.db2.gz SAPWNSDWDCVCQM-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268166327 839782063 /nfs/dbraw/zinc/78/20/63/839782063.db2.gz SAPWNSDWDCVCQM-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001270138498 842325557 /nfs/dbraw/zinc/32/55/57/842325557.db2.gz TWNZWCUHFZUEOE-GOSISDBHSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001270364181 842517268 /nfs/dbraw/zinc/51/72/68/842517268.db2.gz NBZSNFDVAWJRCS-JKSUJKDBSA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001271749259 843835715 /nfs/dbraw/zinc/83/57/15/843835715.db2.gz AQNPURSWYQXNEU-YVSFHVDLSA-N 2 1 305.466 1.565 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898863 861548300 /nfs/dbraw/zinc/54/83/00/861548300.db2.gz VNQUZKSDXQOISC-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)N(C)Cc1ccccc1C#N ZINC001409732971 845639391 /nfs/dbraw/zinc/63/93/91/845639391.db2.gz BOBZRSOFAGMVJR-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409732971 845639396 /nfs/dbraw/zinc/63/93/96/845639396.db2.gz BOBZRSOFAGMVJR-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1C#N ZINC001409732971 845639401 /nfs/dbraw/zinc/63/94/01/845639401.db2.gz BOBZRSOFAGMVJR-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001409732971 845639410 /nfs/dbraw/zinc/63/94/10/845639410.db2.gz BOBZRSOFAGMVJR-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001409732971 845639415 /nfs/dbraw/zinc/63/94/15/845639415.db2.gz BOBZRSOFAGMVJR-OAHLLOKOSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCN1CC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272717617 846710055 /nfs/dbraw/zinc/71/00/55/846710055.db2.gz XKSTWTMJDMYRLZ-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816899 847185655 /nfs/dbraw/zinc/18/56/55/847185655.db2.gz JJWVAXKHTSQDRV-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816899 847185661 /nfs/dbraw/zinc/18/56/61/847185661.db2.gz JJWVAXKHTSQDRV-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816899 847185669 /nfs/dbraw/zinc/18/56/69/847185669.db2.gz JJWVAXKHTSQDRV-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)CC2)C1=O ZINC001273030929 847813016 /nfs/dbraw/zinc/81/30/16/847813016.db2.gz RHQPWERBGXJGNB-GOSISDBHSA-N 2 1 303.450 1.324 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001273038282 847824936 /nfs/dbraw/zinc/82/49/36/847824936.db2.gz CGHKOPDBXZXOSU-GOSISDBHSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149715530 861841463 /nfs/dbraw/zinc/84/14/63/861841463.db2.gz UCQFDJBIGVDHCJ-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001149715530 861841475 /nfs/dbraw/zinc/84/14/75/861841475.db2.gz UCQFDJBIGVDHCJ-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1(C)CC[NH+](C)CC1 ZINC001273100797 847909868 /nfs/dbraw/zinc/90/98/68/847909868.db2.gz GNOXPOMCKCTICF-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCCN(C)C1 ZINC001273143584 848555396 /nfs/dbraw/zinc/55/53/96/848555396.db2.gz IVFZQPDQWYRVAA-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273143584 848555421 /nfs/dbraw/zinc/55/54/21/848555421.db2.gz IVFZQPDQWYRVAA-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001273143584 848555427 /nfs/dbraw/zinc/55/54/27/848555427.db2.gz IVFZQPDQWYRVAA-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[NH2+][C@]1(CO)CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001327590854 862300592 /nfs/dbraw/zinc/30/05/92/862300592.db2.gz IMXKIJCXVVNTHS-FUHWJXTLSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001274318812 852153680 /nfs/dbraw/zinc/15/36/80/852153680.db2.gz SSCHIEDEBUTRRE-APHBUQMISA-N 2 1 316.449 1.982 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150624555 862368132 /nfs/dbraw/zinc/36/81/32/862368132.db2.gz AZCWWKVEUHKVCB-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150624555 862368151 /nfs/dbraw/zinc/36/81/51/862368151.db2.gz AZCWWKVEUHKVCB-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150624555 862368172 /nfs/dbraw/zinc/36/81/72/862368172.db2.gz AZCWWKVEUHKVCB-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC001275358883 853017789 /nfs/dbraw/zinc/01/77/89/853017789.db2.gz OBUPBRWLMMFSJU-WBVHZDCISA-N 2 1 316.424 1.765 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001150777027 862463837 /nfs/dbraw/zinc/46/38/37/862463837.db2.gz CEACTYLPTHUXDE-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777027 862463851 /nfs/dbraw/zinc/46/38/51/862463851.db2.gz CEACTYLPTHUXDE-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001150777027 862463866 /nfs/dbraw/zinc/46/38/66/862463866.db2.gz CEACTYLPTHUXDE-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001328283913 862865751 /nfs/dbraw/zinc/86/57/51/862865751.db2.gz NDYQAZNKQDLKRL-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072734347 857651930 /nfs/dbraw/zinc/65/19/30/857651930.db2.gz GEFOJSKRECFOQZ-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734347 857651934 /nfs/dbraw/zinc/65/19/34/857651934.db2.gz GEFOJSKRECFOQZ-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC001072734347 857651938 /nfs/dbraw/zinc/65/19/38/857651938.db2.gz GEFOJSKRECFOQZ-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC)C2 ZINC001072822646 857759005 /nfs/dbraw/zinc/75/90/05/857759005.db2.gz RAJYMCUZWNYQJL-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC)C2 ZINC001072822646 857759008 /nfs/dbraw/zinc/75/90/08/857759008.db2.gz RAJYMCUZWNYQJL-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC)C2 ZINC001072822646 857759010 /nfs/dbraw/zinc/75/90/10/857759010.db2.gz RAJYMCUZWNYQJL-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC)C2 ZINC001072822646 857759013 /nfs/dbraw/zinc/75/90/13/857759013.db2.gz RAJYMCUZWNYQJL-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4nc(C)[nH]c4C3)C2)C1 ZINC001072872482 857827115 /nfs/dbraw/zinc/82/71/15/857827115.db2.gz ZBVUVLWSBJOWGG-CQSZACIVSA-N 2 1 314.433 1.543 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH]c(C)nc4C3)C2)C1 ZINC001072872482 857827119 /nfs/dbraw/zinc/82/71/19/857827119.db2.gz ZBVUVLWSBJOWGG-CQSZACIVSA-N 2 1 314.433 1.543 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH]c(C)nc4C3)C2)C1 ZINC001072872482 857827124 /nfs/dbraw/zinc/82/71/24/857827124.db2.gz ZBVUVLWSBJOWGG-CQSZACIVSA-N 2 1 314.433 1.543 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001072896355 857857542 /nfs/dbraw/zinc/85/75/42/857857542.db2.gz JXDOWYQGUUEWJP-UHFFFAOYSA-N 2 1 301.434 1.172 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462632 858356324 /nfs/dbraw/zinc/35/63/24/858356324.db2.gz VNOAFQYXGTTWBD-KRWDZBQOSA-N 2 1 311.429 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001073462632 858356328 /nfs/dbraw/zinc/35/63/28/858356328.db2.gz VNOAFQYXGTTWBD-KRWDZBQOSA-N 2 1 311.429 1.457 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC001121916199 858633259 /nfs/dbraw/zinc/63/32/59/858633259.db2.gz QZXXLVZUKQIUEM-UHFFFAOYSA-N 2 1 317.458 1.439 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001224535699 881434309 /nfs/dbraw/zinc/43/43/09/881434309.db2.gz IUNCVBJJWQUDJL-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001224712703 881508782 /nfs/dbraw/zinc/50/87/82/881508782.db2.gz KQDGQUGCQQPFQQ-UHFFFAOYSA-N 2 1 316.449 1.858 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2cnc[nH]2)C12CCC2 ZINC001203013344 860594084 /nfs/dbraw/zinc/59/40/84/860594084.db2.gz JCGBJNODGQTMKI-LSDHHAIUSA-N 2 1 300.406 1.383 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001325854338 860889110 /nfs/dbraw/zinc/88/91/10/860889110.db2.gz ZUQMQWNWNZJKGR-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001325854338 860889114 /nfs/dbraw/zinc/88/91/14/860889114.db2.gz ZUQMQWNWNZJKGR-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001325854338 860889119 /nfs/dbraw/zinc/88/91/19/860889119.db2.gz ZUQMQWNWNZJKGR-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC#CC)CC1 ZINC001328799623 863234320 /nfs/dbraw/zinc/23/43/20/863234320.db2.gz XZKJGKFMDKOYHM-GOSISDBHSA-N 2 1 315.461 1.278 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001152452231 863358176 /nfs/dbraw/zinc/35/81/76/863358176.db2.gz XFRNIPWAHQMKFY-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001156907694 863437288 /nfs/dbraw/zinc/43/72/88/863437288.db2.gz KCHGTOQHPLVKNY-HZPDHXFCSA-N 2 1 311.470 1.357 20 30 DDEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013216 863518865 /nfs/dbraw/zinc/51/88/65/863518865.db2.gz HMFCDJYNTBIZHD-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013216 863518875 /nfs/dbraw/zinc/51/88/75/863518875.db2.gz HMFCDJYNTBIZHD-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157013216 863518879 /nfs/dbraw/zinc/51/88/79/863518879.db2.gz HMFCDJYNTBIZHD-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157013216 863518885 /nfs/dbraw/zinc/51/88/85/863518885.db2.gz HMFCDJYNTBIZHD-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824325 864133933 /nfs/dbraw/zinc/13/39/33/864133933.db2.gz PXRUZRGISGSNCD-GDBMZVCRSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001330466781 864372946 /nfs/dbraw/zinc/37/29/46/864372946.db2.gz KIWMHJIIQSOXCU-ULQDDVLXSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001330466781 864372965 /nfs/dbraw/zinc/37/29/65/864372965.db2.gz KIWMHJIIQSOXCU-ULQDDVLXSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001330466781 864372981 /nfs/dbraw/zinc/37/29/81/864372981.db2.gz KIWMHJIIQSOXCU-ULQDDVLXSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001330475657 864386543 /nfs/dbraw/zinc/38/65/43/864386543.db2.gz PCZVRSDCNVJIAR-OKZBNKHCSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001158433865 864652303 /nfs/dbraw/zinc/65/23/03/864652303.db2.gz AOSKAGBIVIYKCJ-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001331279222 864984340 /nfs/dbraw/zinc/98/43/40/864984340.db2.gz BXONDORNULLCDL-IRXDYDNUSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001331296831 864995249 /nfs/dbraw/zinc/99/52/49/864995249.db2.gz QGPBQHCYOBSPON-QZTJIDSGSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001331296832 864995520 /nfs/dbraw/zinc/99/55/20/864995520.db2.gz QGPBQHCYOBSPON-ROUUACIJSA-N 2 1 319.493 1.957 20 30 DDEDMP [NH3+]C1CCN(c2cc[nH+]c(NCC#Cc3ccccc3)n2)CC1 ZINC001159376025 865262352 /nfs/dbraw/zinc/26/23/52/865262352.db2.gz SJPLDJGMTUGZMN-UHFFFAOYSA-N 2 1 307.401 1.868 20 30 DDEDMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001332031654 865517906 /nfs/dbraw/zinc/51/79/06/865517906.db2.gz LMDIXNKMDTUMCJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001332203732 865663437 /nfs/dbraw/zinc/66/34/37/865663437.db2.gz FMZNFIDCNFDYHH-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001332203732 865663444 /nfs/dbraw/zinc/66/34/44/865663444.db2.gz FMZNFIDCNFDYHH-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001332960031 866291116 /nfs/dbraw/zinc/29/11/16/866291116.db2.gz KJHNUFXEANISPM-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C[C@@H](C#N)N(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001161143543 866405613 /nfs/dbraw/zinc/40/56/13/866405613.db2.gz ADIFEHPRFGBBKS-GOEBONIOSA-N 2 1 312.417 1.078 20 30 DDEDMP C[C@@H](C#N)N(C)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001161143543 866405618 /nfs/dbraw/zinc/40/56/18/866405618.db2.gz ADIFEHPRFGBBKS-GOEBONIOSA-N 2 1 312.417 1.078 20 30 DDEDMP CC#CC[N@@H+](C)CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320062116 866451664 /nfs/dbraw/zinc/45/16/64/866451664.db2.gz PXSBFBFIYNETMZ-UHFFFAOYSA-N 2 1 301.434 1.775 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001333180638 866493128 /nfs/dbraw/zinc/49/31/28/866493128.db2.gz HIFOLOKMLDTTGE-UHFFFAOYSA-N 2 1 302.422 1.738 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001320144659 866508845 /nfs/dbraw/zinc/50/88/45/866508845.db2.gz DUGOJIIALBGUFH-UKRRQHHQSA-N 2 1 320.437 1.800 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001320260779 866596594 /nfs/dbraw/zinc/59/65/94/866596594.db2.gz BGAIYTMUJLRBGS-IRXDYDNUSA-N 2 1 323.481 1.426 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001323638943 866741503 /nfs/dbraw/zinc/74/15/03/866741503.db2.gz WLMAVFHEFNKVEO-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001323638943 866741519 /nfs/dbraw/zinc/74/15/19/866741519.db2.gz WLMAVFHEFNKVEO-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001323638943 866741534 /nfs/dbraw/zinc/74/15/34/866741534.db2.gz WLMAVFHEFNKVEO-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CCC=C)CC1 ZINC001324396947 867255834 /nfs/dbraw/zinc/25/58/34/867255834.db2.gz KMXVLVSEQZDYGG-SJLPKXTDSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C)(COC)CC1 ZINC001162326321 867453365 /nfs/dbraw/zinc/45/33/65/867453365.db2.gz BZTOPMWLTALREE-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001324935797 867641283 /nfs/dbraw/zinc/64/12/83/867641283.db2.gz GLSOYQYYFUOKGA-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001324935797 867641288 /nfs/dbraw/zinc/64/12/88/867641288.db2.gz GLSOYQYYFUOKGA-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP CCOC(=O)CC1([NH3+])CCN(c2[nH+]c(C)ccc2CC#N)CC1 ZINC001163530218 868512986 /nfs/dbraw/zinc/51/29/86/868512986.db2.gz BKOUWUMDABHVNH-UHFFFAOYSA-N 2 1 316.405 1.707 20 30 DDEDMP C[N@@H+]1CC=C(C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC001335968980 868649872 /nfs/dbraw/zinc/64/98/72/868649872.db2.gz MQHAGRMJRMCOAH-QGZVFWFLSA-N 2 1 315.417 1.344 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531354 869263966 /nfs/dbraw/zinc/26/39/66/869263966.db2.gz FLNVASIAWRQIMU-IAGOWNOFSA-N 2 1 317.477 1.760 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001317024483 870131947 /nfs/dbraw/zinc/13/19/47/870131947.db2.gz FJRBVJLMXKXPMS-DOTOQJQBSA-N 2 1 314.433 1.262 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001317038255 870148868 /nfs/dbraw/zinc/14/88/68/870148868.db2.gz HKLHFMZAFJXPHH-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317038255 870148872 /nfs/dbraw/zinc/14/88/72/870148872.db2.gz HKLHFMZAFJXPHH-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317038255 870148877 /nfs/dbraw/zinc/14/88/77/870148877.db2.gz HKLHFMZAFJXPHH-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001166707499 870177415 /nfs/dbraw/zinc/17/74/15/870177415.db2.gz GVQFBAVVCKYKHB-AEFFLSMTSA-N 2 1 313.445 1.332 20 30 DDEDMP N#CC[C@@H]1CCCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)C1 ZINC001166743524 870215695 /nfs/dbraw/zinc/21/56/95/870215695.db2.gz SSLOMOBPKISNNI-ZDUSSCGKSA-N 2 1 300.410 1.534 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203420676 870554985 /nfs/dbraw/zinc/55/49/85/870554985.db2.gz VYQJSJZUXIONRC-CVEARBPZSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+](CC)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001317486959 870905013 /nfs/dbraw/zinc/90/50/13/870905013.db2.gz FEXGTIDBRJYCSA-UHFFFAOYSA-N 2 1 301.434 1.476 20 30 DDEDMP C#CC[NH2+]CC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001340240411 870978166 /nfs/dbraw/zinc/97/81/66/870978166.db2.gz ISKCAWLFTWXUOM-GOSISDBHSA-N 2 1 313.445 1.580 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001317677404 871389431 /nfs/dbraw/zinc/38/94/31/871389431.db2.gz OMYABLOLGNNSDQ-WBVHZDCISA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CCCF)C1 ZINC001317839917 871574877 /nfs/dbraw/zinc/57/48/77/871574877.db2.gz MWTZVNKKQJYMKG-CVEARBPZSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCCF)C1 ZINC001317839917 871574890 /nfs/dbraw/zinc/57/48/90/871574890.db2.gz MWTZVNKKQJYMKG-CVEARBPZSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCF)C1 ZINC001317839917 871574901 /nfs/dbraw/zinc/57/49/01/871574901.db2.gz MWTZVNKKQJYMKG-CVEARBPZSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCF)C1 ZINC001317839917 871574913 /nfs/dbraw/zinc/57/49/13/871574913.db2.gz MWTZVNKKQJYMKG-CVEARBPZSA-N 2 1 309.429 1.224 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317841889 871580039 /nfs/dbraw/zinc/58/00/39/871580039.db2.gz IPNHVUYGKMGHDG-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317841889 871580062 /nfs/dbraw/zinc/58/00/62/871580062.db2.gz IPNHVUYGKMGHDG-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317841889 871580082 /nfs/dbraw/zinc/58/00/82/871580082.db2.gz IPNHVUYGKMGHDG-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC001342033748 871962994 /nfs/dbraw/zinc/96/29/94/871962994.db2.gz MYYMEVHCFLNXMA-HZPDHXFCSA-N 2 1 311.470 1.629 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC001342033748 871963001 /nfs/dbraw/zinc/96/30/01/871963001.db2.gz MYYMEVHCFLNXMA-HZPDHXFCSA-N 2 1 311.470 1.629 20 30 DDEDMP COCC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316858090 872174083 /nfs/dbraw/zinc/17/40/83/872174083.db2.gz BHBRARIXPPICIB-IRXDYDNUSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001206940001 872812019 /nfs/dbraw/zinc/81/20/19/872812019.db2.gz CIODOLUAIAMYMA-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206940001 872812043 /nfs/dbraw/zinc/81/20/43/872812043.db2.gz CIODOLUAIAMYMA-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410735 874119992 /nfs/dbraw/zinc/11/99/92/874119992.db2.gz DAVUHQNSVZIIJB-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410735 874119999 /nfs/dbraw/zinc/11/99/99/874119999.db2.gz DAVUHQNSVZIIJB-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576894 874280401 /nfs/dbraw/zinc/28/04/01/874280401.db2.gz SRGFVHLPNHYRQL-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001209276641 874771898 /nfs/dbraw/zinc/77/18/98/874771898.db2.gz AMEZFYBHELTUCR-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477236 874912904 /nfs/dbraw/zinc/91/29/04/874912904.db2.gz BSRXDFBMYACZDY-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209477236 874912912 /nfs/dbraw/zinc/91/29/12/874912912.db2.gz BSRXDFBMYACZDY-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC#CCOC)C1 ZINC001211256433 875728144 /nfs/dbraw/zinc/72/81/44/875728144.db2.gz GJGOFUBUKMUHEI-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](OC)C1 ZINC001213339841 875900881 /nfs/dbraw/zinc/90/08/81/875900881.db2.gz CNFYOZNVPMGJBC-ARFHVFGLSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662226 876431544 /nfs/dbraw/zinc/43/15/44/876431544.db2.gz ZVUDSFAYVUMNAR-OWCLPIDISA-N 2 1 316.449 1.856 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214850225 876482415 /nfs/dbraw/zinc/48/24/15/876482415.db2.gz RCCMTSORLXXNAE-BRWVUGGUSA-N 2 1 307.482 1.977 20 30 DDEDMP C[C@@H](C[N@H+](C)Cc1ccc(C#N)s1)NC(=O)Cn1ccnc1 ZINC001379810037 878082227 /nfs/dbraw/zinc/08/22/27/878082227.db2.gz SJTKJZWYCCJFDU-LBPRGKRZSA-N 2 1 317.418 1.453 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)NC(=O)Cn1ccnc1 ZINC001379810037 878082248 /nfs/dbraw/zinc/08/22/48/878082248.db2.gz SJTKJZWYCCJFDU-LBPRGKRZSA-N 2 1 317.418 1.453 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001221091699 879491369 /nfs/dbraw/zinc/49/13/69/879491369.db2.gz URGHPFVGDZIFSA-IXDOHACOSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001222053232 880199640 /nfs/dbraw/zinc/19/96/40/880199640.db2.gz KVVNTARHMZMLJG-HZPDHXFCSA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001222053232 880199642 /nfs/dbraw/zinc/19/96/42/880199642.db2.gz KVVNTARHMZMLJG-HZPDHXFCSA-N 2 1 309.454 1.062 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cccnc1 ZINC001230717130 884791667 /nfs/dbraw/zinc/79/16/67/884791667.db2.gz QUVLRNQLVYXCDW-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cccnc1 ZINC001230717130 884791685 /nfs/dbraw/zinc/79/16/85/884791685.db2.gz QUVLRNQLVYXCDW-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717130 884791696 /nfs/dbraw/zinc/79/16/96/884791696.db2.gz QUVLRNQLVYXCDW-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cccnc1 ZINC001230717130 884791714 /nfs/dbraw/zinc/79/17/14/884791714.db2.gz QUVLRNQLVYXCDW-KRWDZBQOSA-N 2 1 314.433 1.117 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001277496122 885370576 /nfs/dbraw/zinc/37/05/76/885370576.db2.gz NMVCXFSOQOGSRM-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001277502053 885450830 /nfs/dbraw/zinc/45/08/30/885450830.db2.gz ZLOFHHZHBMEDBU-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001277502053 885450847 /nfs/dbraw/zinc/45/08/47/885450847.db2.gz ZLOFHHZHBMEDBU-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001277502053 885450866 /nfs/dbraw/zinc/45/08/66/885450866.db2.gz ZLOFHHZHBMEDBU-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]CCN1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001235596232 888789030 /nfs/dbraw/zinc/78/90/30/888789030.db2.gz GTUNWOKFHNJBLE-WMZOPIPTSA-N 2 1 319.424 1.739 20 30 DDEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC(=C)C)CC1 ZINC001278194887 890072629 /nfs/dbraw/zinc/07/26/29/890072629.db2.gz WCZICFUUGKGSPB-UHFFFAOYSA-N 2 1 305.466 1.831 20 30 DDEDMP C#CC[NH2+][C@@H](CCNC(=O)Cn1c[nH+]cc1C)Cc1ccccc1 ZINC001278532356 894112745 /nfs/dbraw/zinc/11/27/45/894112745.db2.gz CDFYQRWVRVRIMN-SFHVURJKSA-N 2 1 324.428 1.532 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001366851916 895132321 /nfs/dbraw/zinc/13/23/21/895132321.db2.gz LCMNNTBWYKSVIE-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001366851909 895133405 /nfs/dbraw/zinc/13/34/05/895133405.db2.gz LCMNNTBWYKSVIE-KBPBESRZSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001252551909 895268661 /nfs/dbraw/zinc/26/86/61/895268661.db2.gz YRHQWMWOXYIYBI-GOSISDBHSA-N 2 1 324.465 1.663 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001252553241 895274707 /nfs/dbraw/zinc/27/47/07/895274707.db2.gz UYKORMKTSKAYGQ-QGZVFWFLSA-N 2 1 318.465 1.788 20 30 DDEDMP C=C[C@@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001252553241 895274719 /nfs/dbraw/zinc/27/47/19/895274719.db2.gz UYKORMKTSKAYGQ-QGZVFWFLSA-N 2 1 318.465 1.788 20 30 DDEDMP C=CCN1C(=O)CCC12CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC2 ZINC001253388522 895811396 /nfs/dbraw/zinc/81/13/96/895811396.db2.gz KMMGGMINSZXRFA-OAHLLOKOSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001253576354 895902221 /nfs/dbraw/zinc/90/22/21/895902221.db2.gz CMBNCQYUKUNVGF-OWSLCNJRSA-N 2 1 318.465 1.603 20 30 DDEDMP C=C[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001253576354 895902235 /nfs/dbraw/zinc/90/22/35/895902235.db2.gz CMBNCQYUKUNVGF-OWSLCNJRSA-N 2 1 318.465 1.603 20 30 DDEDMP C=C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001253576354 895902251 /nfs/dbraw/zinc/90/22/51/895902251.db2.gz CMBNCQYUKUNVGF-OWSLCNJRSA-N 2 1 318.465 1.603 20 30 DDEDMP C=C[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001253576354 895902265 /nfs/dbraw/zinc/90/22/65/895902265.db2.gz CMBNCQYUKUNVGF-OWSLCNJRSA-N 2 1 318.465 1.603 20 30 DDEDMP C[NH+]1CCN(C(=O)C2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)CC1 ZINC001254669810 896566606 /nfs/dbraw/zinc/56/66/06/896566606.db2.gz VIOFPNFYKAYCEF-GOEBONIOSA-N 2 1 304.438 1.165 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374841957 914101429 /nfs/dbraw/zinc/10/14/29/914101429.db2.gz GDQHLSOLGNHLBI-DOMZBBRYSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC001255362315 896862799 /nfs/dbraw/zinc/86/27/99/896862799.db2.gz CLEWKRCMIBKAGO-OAGGEKHMSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC001255362315 896862811 /nfs/dbraw/zinc/86/28/11/896862811.db2.gz CLEWKRCMIBKAGO-OAGGEKHMSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)C1 ZINC001255362315 896862826 /nfs/dbraw/zinc/86/28/26/896862826.db2.gz CLEWKRCMIBKAGO-OAGGEKHMSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](C)[NH+](CC)C[C@H]2C)C1 ZINC001255362315 896862840 /nfs/dbraw/zinc/86/28/40/896862840.db2.gz CLEWKRCMIBKAGO-OAGGEKHMSA-N 2 1 306.454 1.208 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001374848288 914119435 /nfs/dbraw/zinc/11/94/35/914119435.db2.gz FFPGOGLDTAHQMX-CYBMUJFWSA-N 2 1 320.412 1.632 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1cc(F)ccc1C#N ZINC001374848288 914119443 /nfs/dbraw/zinc/11/94/43/914119443.db2.gz FFPGOGLDTAHQMX-CYBMUJFWSA-N 2 1 320.412 1.632 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001367992071 898422881 /nfs/dbraw/zinc/42/28/81/898422881.db2.gz OCAWCLGBSMBYNO-AWEZNQCLSA-N 2 1 318.446 1.452 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001264095040 900926646 /nfs/dbraw/zinc/92/66/46/900926646.db2.gz ZLSAQHIETAMCCF-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264425990 901112946 /nfs/dbraw/zinc/11/29/46/901112946.db2.gz NQDYUYXGMQJWST-JYJNAYRXSA-N 2 1 309.454 1.158 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001265401102 901972698 /nfs/dbraw/zinc/97/26/98/901972698.db2.gz KHCYHYBLHAEAJP-KRWDZBQOSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265401102 901972708 /nfs/dbraw/zinc/97/27/08/901972708.db2.gz KHCYHYBLHAEAJP-KRWDZBQOSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001265401102 901972714 /nfs/dbraw/zinc/97/27/14/901972714.db2.gz KHCYHYBLHAEAJP-KRWDZBQOSA-N 2 1 323.481 1.147 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001265707679 902326955 /nfs/dbraw/zinc/32/69/55/902326955.db2.gz DMZYDTNEMWBPBY-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001370407344 903090563 /nfs/dbraw/zinc/09/05/63/903090563.db2.gz UOBWKRVLSHUDIH-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266207202 903108252 /nfs/dbraw/zinc/10/82/52/903108252.db2.gz IXSHVPIUWPHAIZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266207202 903108259 /nfs/dbraw/zinc/10/82/59/903108259.db2.gz IXSHVPIUWPHAIZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266207202 903108263 /nfs/dbraw/zinc/10/82/63/903108263.db2.gz IXSHVPIUWPHAIZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001266207202 903108273 /nfs/dbraw/zinc/10/82/73/903108273.db2.gz IXSHVPIUWPHAIZ-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001392593639 904558240 /nfs/dbraw/zinc/55/82/40/904558240.db2.gz RUBDJWYYIFZMKB-GJZGRUSLSA-N 2 1 314.433 1.494 20 30 DDEDMP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001281776376 905213354 /nfs/dbraw/zinc/21/33/54/905213354.db2.gz MSSKRPSPVIYIQM-GOSISDBHSA-N 2 1 313.445 1.677 20 30 DDEDMP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCC[NH+](C)C ZINC001281776376 905213368 /nfs/dbraw/zinc/21/33/68/905213368.db2.gz MSSKRPSPVIYIQM-GOSISDBHSA-N 2 1 313.445 1.677 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001282738401 906000897 /nfs/dbraw/zinc/00/08/97/906000897.db2.gz FMKBVZRBMSYSPH-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001283051728 906538765 /nfs/dbraw/zinc/53/87/65/906538765.db2.gz RGXZPRGDERGQKV-KDKXTZIQSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001283051728 906538778 /nfs/dbraw/zinc/53/87/78/906538778.db2.gz RGXZPRGDERGQKV-KDKXTZIQSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001284056727 908407968 /nfs/dbraw/zinc/40/79/68/908407968.db2.gz INBFYNQLODXMHK-XYJFISCASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001284492461 909075009 /nfs/dbraw/zinc/07/50/09/909075009.db2.gz KHFDBCZYJHROLC-INIZCTEOSA-N 2 1 323.481 1.025 20 30 DDEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001284503274 909098365 /nfs/dbraw/zinc/09/83/65/909098365.db2.gz ZOGUGQHUTWQNHD-OAHLLOKOSA-N 2 1 316.405 1.193 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001394322300 909339034 /nfs/dbraw/zinc/33/90/34/909339034.db2.gz CSNNJAGTQGDPLS-KBPBESRZSA-N 2 1 317.861 1.286 20 30 DDEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c(F)c1 ZINC001285004199 909927029 /nfs/dbraw/zinc/92/70/29/909927029.db2.gz GWFKKKJSEAGQCV-INIZCTEOSA-N 2 1 321.396 1.048 20 30 DDEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC001285004199 909927053 /nfs/dbraw/zinc/92/70/53/909927053.db2.gz GWFKKKJSEAGQCV-INIZCTEOSA-N 2 1 321.396 1.048 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000615779437 362437208 /nfs/dbraw/zinc/43/72/08/362437208.db2.gz BCPVIHZOHBSWPB-ZIAGYGMSSA-N 2 1 301.394 1.471 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000592495161 355599966 /nfs/dbraw/zinc/59/99/66/355599966.db2.gz HZBHPWFNWQTCSA-DLBZAZTESA-N 2 1 300.406 1.672 20 30 DDEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441247 356217013 /nfs/dbraw/zinc/21/70/13/356217013.db2.gz PNIGIWMULKXNLM-ZNMIVQPWSA-N 2 1 324.469 1.402 20 30 DDEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441247 356217015 /nfs/dbraw/zinc/21/70/15/356217015.db2.gz PNIGIWMULKXNLM-ZNMIVQPWSA-N 2 1 324.469 1.402 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC(C)(C)C#N ZINC000596692844 356954101 /nfs/dbraw/zinc/95/41/01/356954101.db2.gz MWKKSOFCUWGBFK-AWEZNQCLSA-N 2 1 311.474 1.450 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)CC(C)(C)C#N ZINC000596692844 356954104 /nfs/dbraw/zinc/95/41/04/356954104.db2.gz MWKKSOFCUWGBFK-AWEZNQCLSA-N 2 1 311.474 1.450 20 30 DDEDMP O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2)NC1CC[NH+](C2CC2)CC1 ZINC000329776005 223027799 /nfs/dbraw/zinc/02/77/99/223027799.db2.gz JRSDCNNTFSJRKC-GASCZTMLSA-N 2 1 305.422 1.766 20 30 DDEDMP O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2)NC1CC[NH+](C2CC2)CC1 ZINC000329776005 223027802 /nfs/dbraw/zinc/02/78/02/223027802.db2.gz JRSDCNNTFSJRKC-GASCZTMLSA-N 2 1 305.422 1.766 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000105474937 194106807 /nfs/dbraw/zinc/10/68/07/194106807.db2.gz MEPRDLOGUVEQKU-MRXNPFEDSA-N 2 1 300.406 1.235 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000105474937 194106808 /nfs/dbraw/zinc/10/68/08/194106808.db2.gz MEPRDLOGUVEQKU-MRXNPFEDSA-N 2 1 300.406 1.235 20 30 DDEDMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C[N@H+]1Cc1ccccc1 ZINC000424147545 533631709 /nfs/dbraw/zinc/63/17/09/533631709.db2.gz ROHYPPJWYMACEO-OIISXLGYSA-N 2 1 314.433 1.787 20 30 DDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000104173069 407348413 /nfs/dbraw/zinc/34/84/13/407348413.db2.gz SMYYTNKOVIUMLU-UHFFFAOYSA-N 2 1 304.438 1.870 20 30 DDEDMP CCc1cnc(CNC(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)=[NH+]C)s1 ZINC000131009140 407717403 /nfs/dbraw/zinc/71/74/03/407717403.db2.gz VJSCWNQJPIZWJM-RYUDHWBXSA-N 2 1 321.494 1.996 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267336190 407839034 /nfs/dbraw/zinc/83/90/34/407839034.db2.gz RMEXUQVJXVKBCV-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267336190 407839043 /nfs/dbraw/zinc/83/90/43/407839043.db2.gz RMEXUQVJXVKBCV-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267336190 407839047 /nfs/dbraw/zinc/83/90/47/407839047.db2.gz RMEXUQVJXVKBCV-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000267336190 407839055 /nfs/dbraw/zinc/83/90/55/407839055.db2.gz RMEXUQVJXVKBCV-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000296815233 409646322 /nfs/dbraw/zinc/64/63/22/409646322.db2.gz IWTGBSQAJFDYRU-QGZVFWFLSA-N 2 1 316.449 1.544 20 30 DDEDMP CC(C)[N@@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329735342 410428689 /nfs/dbraw/zinc/42/86/89/410428689.db2.gz KWTPGKVUHYTTNA-CYBMUJFWSA-N 2 1 305.426 1.597 20 30 DDEDMP CC(C)[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000329735342 410428698 /nfs/dbraw/zinc/42/86/98/410428698.db2.gz KWTPGKVUHYTTNA-CYBMUJFWSA-N 2 1 305.426 1.597 20 30 DDEDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21 ZINC000360790511 418518982 /nfs/dbraw/zinc/51/89/82/418518982.db2.gz AWIIYVPJLLTMDF-NXOAAHMSSA-N 2 1 309.454 1.784 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000195369201 418555818 /nfs/dbraw/zinc/55/58/18/418555818.db2.gz ZZLOZXPAFOVWQX-UHFFFAOYSA-N 2 1 316.449 1.789 20 30 DDEDMP CC[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261933749 222262429 /nfs/dbraw/zinc/26/24/29/222262429.db2.gz BYKCFNAXRHHHCC-WMLDXEAASA-N 2 1 308.470 1.547 20 30 DDEDMP C[C@H]1C[NH+]=C(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)N1 ZINC000262673096 222288468 /nfs/dbraw/zinc/28/84/68/222288468.db2.gz SBEKVSBFYVOWFY-AWEZNQCLSA-N 2 1 308.470 1.737 20 30 DDEDMP C[C@H]1C[NH+]=C(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)N1 ZINC000262673096 222288471 /nfs/dbraw/zinc/28/84/71/222288471.db2.gz SBEKVSBFYVOWFY-AWEZNQCLSA-N 2 1 308.470 1.737 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CCc2ccccc21 ZINC000262805007 222295508 /nfs/dbraw/zinc/29/55/08/222295508.db2.gz SJXOPBYPYSXWEY-MAUKXSAKSA-N 2 1 316.449 1.209 20 30 DDEDMP CC1(C)C[N@@H+](C2(CNC(=[NH2+])NC3CC3)CCCCC2)CCO1 ZINC000263141476 222303697 /nfs/dbraw/zinc/30/36/97/222303697.db2.gz JRNIMOTVOFRLBU-UHFFFAOYSA-N 2 1 308.470 1.867 20 30 DDEDMP CC1(C)C[N@H+](C2(CNC(=[NH2+])NC3CC3)CCCCC2)CCO1 ZINC000263141476 222303702 /nfs/dbraw/zinc/30/37/02/222303702.db2.gz JRNIMOTVOFRLBU-UHFFFAOYSA-N 2 1 308.470 1.867 20 30 DDEDMP CC(C)CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264082433 222314606 /nfs/dbraw/zinc/31/46/06/222314606.db2.gz HYQGZOURJCZCSH-UHFFFAOYSA-N 2 1 318.469 1.154 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccccc1 ZINC000264079220 222314684 /nfs/dbraw/zinc/31/46/84/222314684.db2.gz ICDLQTCGJMLAJX-HNNXBMFYSA-N 2 1 304.438 1.844 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn2c(cccc2C)n1 ZINC000267413064 222384734 /nfs/dbraw/zinc/38/47/34/222384734.db2.gz IUTCCPDANUTING-OAHLLOKOSA-N 2 1 314.437 1.531 20 30 DDEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000267392849 222384805 /nfs/dbraw/zinc/38/48/05/222384805.db2.gz DLOIRMQBPWINTL-OAHLLOKOSA-N 2 1 304.438 1.998 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(OC)c1 ZINC000267434973 222385342 /nfs/dbraw/zinc/38/53/42/222385342.db2.gz NNCKOVNOUSGFRJ-GDBMZVCRSA-N 2 1 320.437 1.117 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(F)ccc1F ZINC000267451779 222385524 /nfs/dbraw/zinc/38/55/24/222385524.db2.gz RTHZKMFQXIZRDM-UHFFFAOYSA-N 2 1 312.364 1.091 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1F ZINC000267443679 222385974 /nfs/dbraw/zinc/38/59/74/222385974.db2.gz PPKUTNDITMPQPV-KGLIPLIRSA-N 2 1 322.428 1.982 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375808911 418689035 /nfs/dbraw/zinc/68/90/35/418689035.db2.gz DPAUMBWDELBMNX-CABCVRRESA-N 2 1 302.422 1.781 20 30 DDEDMP C#CCNC(=O)[C@@H](C)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375808911 418689037 /nfs/dbraw/zinc/68/90/37/418689037.db2.gz DPAUMBWDELBMNX-CABCVRRESA-N 2 1 302.422 1.781 20 30 DDEDMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423526966 420073361 /nfs/dbraw/zinc/07/33/61/420073361.db2.gz VKXGVNGOAFQCGS-SFHVURJKSA-N 2 1 313.449 1.020 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000490589951 421192268 /nfs/dbraw/zinc/19/22/68/421192268.db2.gz ITENLENHXHFGHP-BBWFWOEESA-N 2 1 319.493 1.814 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C#N)cc2)CC1 ZINC000517650952 421621917 /nfs/dbraw/zinc/62/19/17/421621917.db2.gz NOZLCORPVMENLX-UHFFFAOYSA-N 2 1 321.384 1.957 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654431242 423877496 /nfs/dbraw/zinc/87/74/96/423877496.db2.gz BRXCHLLPGPPKMH-DLBZAZTESA-N 2 1 320.481 1.953 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654431244 423879471 /nfs/dbraw/zinc/87/94/71/423879471.db2.gz BRXCHLLPGPPKMH-IRXDYDNUSA-N 2 1 320.481 1.953 20 30 DDEDMP C[C@H](C#N)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431058754 289234507 /nfs/dbraw/zinc/23/45/07/289234507.db2.gz UHEBHMDMRJCACM-OAHLLOKOSA-N 2 1 320.481 1.801 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000491264044 526808696 /nfs/dbraw/zinc/80/86/96/526808696.db2.gz DOAPCMYWZDIOKU-MRXNPFEDSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000491264044 526808702 /nfs/dbraw/zinc/80/87/02/526808702.db2.gz DOAPCMYWZDIOKU-MRXNPFEDSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000491264044 526808706 /nfs/dbraw/zinc/80/87/06/526808706.db2.gz DOAPCMYWZDIOKU-MRXNPFEDSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000491772571 526811537 /nfs/dbraw/zinc/81/15/37/526811537.db2.gz QLCKZFMAAMZNDZ-UHFFFAOYSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000491095034 526921540 /nfs/dbraw/zinc/92/15/40/526921540.db2.gz JDDTZBCBSMBXHB-LZLYRXPVSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972414055 695242838 /nfs/dbraw/zinc/24/28/38/695242838.db2.gz SUWANIHWXOGARQ-SJLPKXTDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000977481532 696182900 /nfs/dbraw/zinc/18/29/00/696182900.db2.gz YUWTVLWVRJDTIR-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC000978232698 696347037 /nfs/dbraw/zinc/34/70/37/696347037.db2.gz OINIMSSCAAFARE-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978232698 696347039 /nfs/dbraw/zinc/34/70/39/696347039.db2.gz OINIMSSCAAFARE-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC000978232698 696347041 /nfs/dbraw/zinc/34/70/41/696347041.db2.gz OINIMSSCAAFARE-NXOAAHMSSA-N 2 1 303.450 1.178 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138703 696690472 /nfs/dbraw/zinc/69/04/72/696690472.db2.gz DNWFYHCJAFDGOP-ULQDDVLXSA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138703 696690473 /nfs/dbraw/zinc/69/04/73/696690473.db2.gz DNWFYHCJAFDGOP-ULQDDVLXSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC(C)C)C2)CC1 ZINC000980477338 696782776 /nfs/dbraw/zinc/78/27/76/696782776.db2.gz DNIKLVMDGSFMBG-QGZVFWFLSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(=C)C)C2 ZINC000981819020 696930175 /nfs/dbraw/zinc/93/01/75/696930175.db2.gz JUODOEBRWNUULY-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(=C)C)C2 ZINC000981819020 696930176 /nfs/dbraw/zinc/93/01/76/696930176.db2.gz JUODOEBRWNUULY-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(=C)C)C2 ZINC000981819020 696930178 /nfs/dbraw/zinc/93/01/78/696930178.db2.gz JUODOEBRWNUULY-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(=C)C)C2 ZINC000981819020 696930180 /nfs/dbraw/zinc/93/01/80/696930180.db2.gz JUODOEBRWNUULY-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013462 697003345 /nfs/dbraw/zinc/00/33/45/697003345.db2.gz STLCKSMLMSRTHL-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013462 697003347 /nfs/dbraw/zinc/00/33/47/697003347.db2.gz STLCKSMLMSRTHL-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)C1 ZINC000982013462 697003349 /nfs/dbraw/zinc/00/33/49/697003349.db2.gz STLCKSMLMSRTHL-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152471 697019548 /nfs/dbraw/zinc/01/95/48/697019548.db2.gz JXSDBWCDGZCHFQ-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000981152471 697019550 /nfs/dbraw/zinc/01/95/50/697019550.db2.gz JXSDBWCDGZCHFQ-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000981152471 697019553 /nfs/dbraw/zinc/01/95/53/697019553.db2.gz JXSDBWCDGZCHFQ-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000981152471 697019556 /nfs/dbraw/zinc/01/95/56/697019556.db2.gz JXSDBWCDGZCHFQ-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982234932 697068945 /nfs/dbraw/zinc/06/89/45/697068945.db2.gz DJNFQNMKYICXFB-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234932 697068946 /nfs/dbraw/zinc/06/89/46/697068946.db2.gz DJNFQNMKYICXFB-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@]2(C)C1 ZINC000982234932 697068947 /nfs/dbraw/zinc/06/89/47/697068947.db2.gz DJNFQNMKYICXFB-RYQLBKOJSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982283204 697082668 /nfs/dbraw/zinc/08/26/68/697082668.db2.gz OXATZKBEMUIKIU-OGWHTMIXSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982283204 697082670 /nfs/dbraw/zinc/08/26/70/697082670.db2.gz OXATZKBEMUIKIU-OGWHTMIXSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC000982283204 697082672 /nfs/dbraw/zinc/08/26/72/697082672.db2.gz OXATZKBEMUIKIU-OGWHTMIXSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000983024975 697202494 /nfs/dbraw/zinc/20/24/94/697202494.db2.gz ATHJLMKPFYTXLF-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000170914730 697352155 /nfs/dbraw/zinc/35/21/55/697352155.db2.gz AAVYHYXMMWCOKQ-OAHLLOKOSA-N 2 1 320.437 1.210 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000176662791 697404300 /nfs/dbraw/zinc/40/43/00/697404300.db2.gz QMZURBWZUSYTPF-HRCADAONSA-N 2 1 324.513 1.944 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602030 697541153 /nfs/dbraw/zinc/54/11/53/697541153.db2.gz BYFWHIKSPCXNHN-HNNXBMFYSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000985602030 697541154 /nfs/dbraw/zinc/54/11/54/697541154.db2.gz BYFWHIKSPCXNHN-HNNXBMFYSA-N 2 1 314.433 1.310 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2c(c1)OCO2 ZINC000303793099 698607613 /nfs/dbraw/zinc/60/76/13/698607613.db2.gz ZADHCAJRDLACTP-CQSZACIVSA-N 2 1 318.421 1.346 20 30 DDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000303873224 698608499 /nfs/dbraw/zinc/60/84/99/698608499.db2.gz CJBDSEONEDVHTP-MRXNPFEDSA-N 2 1 309.502 1.451 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000303902424 698610488 /nfs/dbraw/zinc/61/04/88/698610488.db2.gz TZJSGVRLMLVZMP-IRXDYDNUSA-N 3 1 323.529 1.886 20 30 DDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C1CCCCC1)N(C)C ZINC000303902424 698610489 /nfs/dbraw/zinc/61/04/89/698610489.db2.gz TZJSGVRLMLVZMP-IRXDYDNUSA-N 2 1 323.529 1.886 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C1CCCCC1)N(C)C ZINC000303902424 698610490 /nfs/dbraw/zinc/61/04/90/698610490.db2.gz TZJSGVRLMLVZMP-IRXDYDNUSA-N 2 1 323.529 1.886 20 30 DDEDMP CCO[C@@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C(C)C ZINC000304639262 698622596 /nfs/dbraw/zinc/62/25/96/698622596.db2.gz BXORZMRWWJANGD-HNNXBMFYSA-N 2 1 314.474 1.064 20 30 DDEDMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000305769748 698655080 /nfs/dbraw/zinc/65/50/80/698655080.db2.gz JIPAVGSQEACVTM-ZBFHGGJFSA-N 2 1 303.406 1.696 20 30 DDEDMP C#CCNC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000763434327 700937832 /nfs/dbraw/zinc/93/78/32/700937832.db2.gz VYQKQCTVKRWVGW-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876896848 705912943 /nfs/dbraw/zinc/91/29/43/705912943.db2.gz BZCUIXNQBSTPPL-QGZVFWFLSA-N 2 1 312.417 1.298 20 30 DDEDMP C#CCN1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000926868135 712914611 /nfs/dbraw/zinc/91/46/11/712914611.db2.gz NQIWNJDCLRIMEL-CSNJMZFVSA-N 2 1 305.466 1.315 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000884199246 708184865 /nfs/dbraw/zinc/18/48/65/708184865.db2.gz UDHMXXOWCGVWFK-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000884199246 708184866 /nfs/dbraw/zinc/18/48/66/708184866.db2.gz UDHMXXOWCGVWFK-JKSUJKDBSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000884203259 708187634 /nfs/dbraw/zinc/18/76/34/708187634.db2.gz RVJKFKNIHDIXRD-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC000884203259 708187637 /nfs/dbraw/zinc/18/76/37/708187637.db2.gz RVJKFKNIHDIXRD-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCC)C2)C1 ZINC000884203259 708187639 /nfs/dbraw/zinc/18/76/39/708187639.db2.gz RVJKFKNIHDIXRD-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CCC)C2)C1 ZINC000884203259 708187642 /nfs/dbraw/zinc/18/76/42/708187642.db2.gz RVJKFKNIHDIXRD-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CCC)C2)C1 ZINC000884203259 708187645 /nfs/dbraw/zinc/18/76/45/708187645.db2.gz RVJKFKNIHDIXRD-HOTGVXAUSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CCN1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000884210441 708191810 /nfs/dbraw/zinc/19/18/10/708191810.db2.gz ZUGSOIMYNQZGBR-ILXRZTDVSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000884210441 708191812 /nfs/dbraw/zinc/19/18/12/708191812.db2.gz ZUGSOIMYNQZGBR-ILXRZTDVSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000884210441 708191814 /nfs/dbraw/zinc/19/18/14/708191814.db2.gz ZUGSOIMYNQZGBR-ILXRZTDVSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000884210441 708191816 /nfs/dbraw/zinc/19/18/16/708191816.db2.gz ZUGSOIMYNQZGBR-ILXRZTDVSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000884210441 708191817 /nfs/dbraw/zinc/19/18/17/708191817.db2.gz ZUGSOIMYNQZGBR-ILXRZTDVSA-N 2 1 304.438 1.008 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000887930871 709169082 /nfs/dbraw/zinc/16/90/82/709169082.db2.gz ACXDPQODSYKUDF-KRWDZBQOSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCCCCCC[NH+](C)C)C1 ZINC000887930871 709169083 /nfs/dbraw/zinc/16/90/83/709169083.db2.gz ACXDPQODSYKUDF-KRWDZBQOSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000914072841 713338357 /nfs/dbraw/zinc/33/83/57/713338357.db2.gz YUOVMNKBPIGLHX-HOTGVXAUSA-N 2 1 320.481 1.646 20 30 DDEDMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H](O)CC#N)CC2)CC1 ZINC000929810055 713694763 /nfs/dbraw/zinc/69/47/63/713694763.db2.gz PEOGCXMGZDZKOR-GOSISDBHSA-N 2 1 322.497 1.389 20 30 DDEDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)CC#N ZINC000930170296 713772061 /nfs/dbraw/zinc/77/20/61/713772061.db2.gz YGHYMXWCOOTKEU-QGZVFWFLSA-N 2 1 302.422 1.894 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCNc1cccc(C)[nH+]1 ZINC000922629877 714105613 /nfs/dbraw/zinc/10/56/13/714105613.db2.gz LWWWAHHLLITLQY-UHFFFAOYSA-N 2 1 303.410 1.056 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCNc1cccc(C)[nH+]1 ZINC000922629877 714105616 /nfs/dbraw/zinc/10/56/16/714105616.db2.gz LWWWAHHLLITLQY-UHFFFAOYSA-N 2 1 303.410 1.056 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000924035611 714512290 /nfs/dbraw/zinc/51/22/90/714512290.db2.gz JOLFIUMDTNFXKO-AWEZNQCLSA-N 2 1 315.421 1.044 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000924035611 714512292 /nfs/dbraw/zinc/51/22/92/714512292.db2.gz JOLFIUMDTNFXKO-AWEZNQCLSA-N 2 1 315.421 1.044 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC000940648755 716897127 /nfs/dbraw/zinc/89/71/27/716897127.db2.gz HVIDBRQTXHCGCY-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC000940648755 716897132 /nfs/dbraw/zinc/89/71/32/716897132.db2.gz HVIDBRQTXHCGCY-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648755 716897136 /nfs/dbraw/zinc/89/71/36/716897136.db2.gz HVIDBRQTXHCGCY-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC000940648755 716897140 /nfs/dbraw/zinc/89/71/40/716897140.db2.gz HVIDBRQTXHCGCY-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000961342907 716917631 /nfs/dbraw/zinc/91/76/31/716917631.db2.gz ONNWXKTXXXBUHT-VSZNYVQBSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC000961615145 717030282 /nfs/dbraw/zinc/03/02/82/717030282.db2.gz IHAUDRGSJNMSRZ-FICVDOATSA-N 2 1 301.390 1.025 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943771284 718186737 /nfs/dbraw/zinc/18/67/37/718186737.db2.gz GBMPFFMCCIDWNG-WMLDXEAASA-N 2 1 323.400 1.341 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@@H](C)C1 ZINC000943771284 718186738 /nfs/dbraw/zinc/18/67/38/718186738.db2.gz GBMPFFMCCIDWNG-WMLDXEAASA-N 2 1 323.400 1.341 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943877089 718213960 /nfs/dbraw/zinc/21/39/60/718213960.db2.gz MBMWSUYCMVSIEQ-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633160 718860366 /nfs/dbraw/zinc/86/03/66/718860366.db2.gz KYKJZOZAFIZGTI-BBWFWOEESA-N 2 1 307.482 1.929 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645680 718864556 /nfs/dbraw/zinc/86/45/56/718864556.db2.gz XCOFXEQXOIXAQH-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645680 718864559 /nfs/dbraw/zinc/86/45/59/718864559.db2.gz XCOFXEQXOIXAQH-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645680 718864563 /nfs/dbraw/zinc/86/45/63/718864563.db2.gz XCOFXEQXOIXAQH-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779286 718905896 /nfs/dbraw/zinc/90/58/96/718905896.db2.gz MORJLVLHGCZQSZ-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779286 718905898 /nfs/dbraw/zinc/90/58/98/718905898.db2.gz MORJLVLHGCZQSZ-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779286 718905901 /nfs/dbraw/zinc/90/59/01/718905901.db2.gz MORJLVLHGCZQSZ-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779249 718906095 /nfs/dbraw/zinc/90/60/95/718906095.db2.gz LRVXTZYJQFKEKJ-FJIDUMEYSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779249 718906098 /nfs/dbraw/zinc/90/60/98/718906098.db2.gz LRVXTZYJQFKEKJ-FJIDUMEYSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3C)CC[C@@H]2C1 ZINC000946779249 718906099 /nfs/dbraw/zinc/90/60/99/718906099.db2.gz LRVXTZYJQFKEKJ-FJIDUMEYSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000947939487 719312988 /nfs/dbraw/zinc/31/29/88/719312988.db2.gz IKINSLCKMBRFIR-GJZGRUSLSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374576 719472622 /nfs/dbraw/zinc/47/26/22/719472622.db2.gz WQWFYRYSQSYYQM-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621788 719594431 /nfs/dbraw/zinc/59/44/31/719594431.db2.gz VDHIDYGHNTXAHZ-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948621788 719594436 /nfs/dbraw/zinc/59/44/36/719594436.db2.gz VDHIDYGHNTXAHZ-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C#N)cn2)c2c1CC[NH2+]C2 ZINC001164684865 719600899 /nfs/dbraw/zinc/60/08/99/719600899.db2.gz KOAFXNYUCCFGLR-UHFFFAOYSA-N 2 1 310.405 1.625 20 30 DDEDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C#N)cn2)c2c1CC[NH2+]C2 ZINC001164684865 719600906 /nfs/dbraw/zinc/60/09/06/719600906.db2.gz KOAFXNYUCCFGLR-UHFFFAOYSA-N 2 1 310.405 1.625 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681673 719733678 /nfs/dbraw/zinc/73/36/78/719733678.db2.gz LHLKMZOCEAFXMM-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000968681673 719733680 /nfs/dbraw/zinc/73/36/80/719733680.db2.gz LHLKMZOCEAFXMM-YJBOKZPZSA-N 2 1 313.445 1.822 20 30 DDEDMP C=CCN1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948985824 719824186 /nfs/dbraw/zinc/82/41/86/719824186.db2.gz GDVDNPYRRFXRTA-SJLPKXTDSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000948985824 719824190 /nfs/dbraw/zinc/82/41/90/719824190.db2.gz GDVDNPYRRFXRTA-SJLPKXTDSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000948985824 719824196 /nfs/dbraw/zinc/82/41/96/719824196.db2.gz GDVDNPYRRFXRTA-SJLPKXTDSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948985824 719824204 /nfs/dbraw/zinc/82/42/04/719824204.db2.gz GDVDNPYRRFXRTA-SJLPKXTDSA-N 2 1 313.445 1.840 20 30 DDEDMP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000948985824 719824209 /nfs/dbraw/zinc/82/42/09/719824209.db2.gz GDVDNPYRRFXRTA-SJLPKXTDSA-N 2 1 313.445 1.840 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949051463 719873126 /nfs/dbraw/zinc/87/31/26/719873126.db2.gz ITGQLWVZUPDXGF-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000970317822 720706027 /nfs/dbraw/zinc/70/60/27/720706027.db2.gz LNTQMCKUGNRGCP-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000970338358 720717985 /nfs/dbraw/zinc/71/79/85/720717985.db2.gz LNFMQQIVHVXXSG-HIFRSBDPSA-N 2 1 314.433 1.214 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602393 738453840 /nfs/dbraw/zinc/45/38/40/738453840.db2.gz SEUHCANGSSNQSB-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001167224156 732840538 /nfs/dbraw/zinc/84/05/38/732840538.db2.gz FSGZNGGGAPRTLS-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529677 738654476 /nfs/dbraw/zinc/65/44/76/738654476.db2.gz JZVAOIXEXYVGCG-AOIWGVFYSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021644232 733397554 /nfs/dbraw/zinc/39/75/54/733397554.db2.gz FKSCOEZDIQXWFY-CVEARBPZSA-N 2 1 302.422 1.772 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104312928 733451607 /nfs/dbraw/zinc/45/16/07/733451607.db2.gz YNHXIWWXWCSNEI-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737517 733497853 /nfs/dbraw/zinc/49/78/53/733497853.db2.gz VBGJWYIFAABSHT-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021737517 733497855 /nfs/dbraw/zinc/49/78/55/733497855.db2.gz VBGJWYIFAABSHT-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023402313 735210802 /nfs/dbraw/zinc/21/08/02/735210802.db2.gz KBKDLPCSJONEBD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402313 735210805 /nfs/dbraw/zinc/21/08/05/735210805.db2.gz KBKDLPCSJONEBD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402313 735210806 /nfs/dbraw/zinc/21/08/06/735210806.db2.gz KBKDLPCSJONEBD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C/C=C\Cl)C1 ZINC001023423553 735224171 /nfs/dbraw/zinc/22/41/71/735224171.db2.gz ZFKATCLAQQFQRY-QBGJIXDNSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001023423553 735224162 /nfs/dbraw/zinc/22/41/62/735224162.db2.gz ZFKATCLAQQFQRY-QBGJIXDNSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001023423553 735224166 /nfs/dbraw/zinc/22/41/66/735224166.db2.gz ZFKATCLAQQFQRY-QBGJIXDNSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C/C=C\Cl)C1 ZINC001023423553 735224170 /nfs/dbraw/zinc/22/41/70/735224170.db2.gz ZFKATCLAQQFQRY-QBGJIXDNSA-N 2 1 323.868 1.665 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023452133 735247332 /nfs/dbraw/zinc/24/73/32/735247332.db2.gz RGLPASQWFPPDQI-HZPDHXFCSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624235 735989500 /nfs/dbraw/zinc/98/95/00/735989500.db2.gz MWVWGYGOFDFBSX-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624235 735989504 /nfs/dbraw/zinc/98/95/04/735989504.db2.gz MWVWGYGOFDFBSX-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024807323 736103487 /nfs/dbraw/zinc/10/34/87/736103487.db2.gz BHHJGNBPCQTMRZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024807323 736103489 /nfs/dbraw/zinc/10/34/89/736103489.db2.gz BHHJGNBPCQTMRZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807323 736103491 /nfs/dbraw/zinc/10/34/91/736103491.db2.gz BHHJGNBPCQTMRZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807323 736103494 /nfs/dbraw/zinc/10/34/94/736103494.db2.gz BHHJGNBPCQTMRZ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001024807320 736103725 /nfs/dbraw/zinc/10/37/25/736103725.db2.gz BHHJGNBPCQTMRZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001024807320 736103729 /nfs/dbraw/zinc/10/37/29/736103729.db2.gz BHHJGNBPCQTMRZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807320 736103731 /nfs/dbraw/zinc/10/37/31/736103731.db2.gz BHHJGNBPCQTMRZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001024807320 736103733 /nfs/dbraw/zinc/10/37/33/736103733.db2.gz BHHJGNBPCQTMRZ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025599453 736778993 /nfs/dbraw/zinc/77/89/93/736778993.db2.gz GWXIHJAATFXZFO-CVEARBPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042260687 737139297 /nfs/dbraw/zinc/13/92/97/737139297.db2.gz WGEBSIVFXWEARK-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]12 ZINC001026420046 737518876 /nfs/dbraw/zinc/51/88/76/737518876.db2.gz CPVVHMBEHNPEJE-OWCLPIDISA-N 2 1 302.422 1.594 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001038718634 738194837 /nfs/dbraw/zinc/19/48/37/738194837.db2.gz YNEIWGALFYLKEL-RBSFLKMASA-N 2 1 302.422 1.680 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027547114 738395197 /nfs/dbraw/zinc/39/51/97/738395197.db2.gz WHVBMYQJSWREER-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027547114 738395200 /nfs/dbraw/zinc/39/52/00/738395200.db2.gz WHVBMYQJSWREER-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544579 739650257 /nfs/dbraw/zinc/65/02/57/739650257.db2.gz GEOAJVJXVPGNBF-ZFWWWQNUSA-N 2 1 311.857 1.519 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544579 739650262 /nfs/dbraw/zinc/65/02/62/739650262.db2.gz GEOAJVJXVPGNBF-ZFWWWQNUSA-N 2 1 311.857 1.519 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587213 739700408 /nfs/dbraw/zinc/70/04/08/739700408.db2.gz HQRDHKCCSWDMDT-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587213 739700411 /nfs/dbraw/zinc/70/04/11/739700411.db2.gz HQRDHKCCSWDMDT-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587213 739700413 /nfs/dbraw/zinc/70/04/13/739700413.db2.gz HQRDHKCCSWDMDT-DLBZAZTESA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590858 739723264 /nfs/dbraw/zinc/72/32/64/739723264.db2.gz HMDCTNPPERCGAO-CABCVRRESA-N 2 1 300.406 1.222 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590858 739723268 /nfs/dbraw/zinc/72/32/68/739723268.db2.gz HMDCTNPPERCGAO-CABCVRRESA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCF)C2)CC1 ZINC001029003504 740248166 /nfs/dbraw/zinc/24/81/66/740248166.db2.gz MRIQDDXVEUYLDZ-HNNXBMFYSA-N 2 1 309.429 1.129 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001088339522 741412601 /nfs/dbraw/zinc/41/26/01/741412601.db2.gz HRUMUJNTWVREEF-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001088571676 741845686 /nfs/dbraw/zinc/84/56/86/741845686.db2.gz JNALSNCEBQWYRF-OIISXLGYSA-N 2 1 305.466 1.873 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088693314 742177817 /nfs/dbraw/zinc/17/78/17/742177817.db2.gz UTGFZCLEBFYMKZ-IKGGRYGDSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001088693314 742177819 /nfs/dbraw/zinc/17/78/19/742177819.db2.gz UTGFZCLEBFYMKZ-IKGGRYGDSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC001088693314 742177820 /nfs/dbraw/zinc/17/78/20/742177820.db2.gz UTGFZCLEBFYMKZ-IKGGRYGDSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC001088693314 742177822 /nfs/dbraw/zinc/17/78/22/742177822.db2.gz UTGFZCLEBFYMKZ-IKGGRYGDSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001088815423 742439467 /nfs/dbraw/zinc/43/94/67/742439467.db2.gz PBRPPUOWJCAIDI-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001088815423 742439468 /nfs/dbraw/zinc/43/94/68/742439468.db2.gz PBRPPUOWJCAIDI-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815423 742439469 /nfs/dbraw/zinc/43/94/69/742439469.db2.gz PBRPPUOWJCAIDI-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1C ZINC001088815423 742439470 /nfs/dbraw/zinc/43/94/70/742439470.db2.gz PBRPPUOWJCAIDI-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524328 742460928 /nfs/dbraw/zinc/46/09/28/742460928.db2.gz QHLXNFDKJPGOCH-BBWFWOEESA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524328 742460932 /nfs/dbraw/zinc/46/09/32/742460932.db2.gz QHLXNFDKJPGOCH-BBWFWOEESA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524328 742460936 /nfs/dbraw/zinc/46/09/36/742460936.db2.gz QHLXNFDKJPGOCH-BBWFWOEESA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(Cl)CN1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242540 742622006 /nfs/dbraw/zinc/62/20/06/742622006.db2.gz IWCDBWJIZMJEMG-VHDGCEQUSA-N 2 1 311.857 1.613 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001016331047 743410217 /nfs/dbraw/zinc/41/02/17/743410217.db2.gz JBJWKONQRVSARH-MIOHMZDASA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001016331047 743410219 /nfs/dbraw/zinc/41/02/19/743410219.db2.gz JBJWKONQRVSARH-MIOHMZDASA-N 2 1 309.841 1.275 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465058 743454516 /nfs/dbraw/zinc/45/45/16/743454516.db2.gz CJAJVOFLQISKBQ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001212465058 743454522 /nfs/dbraw/zinc/45/45/22/743454522.db2.gz CJAJVOFLQISKBQ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001212465058 743454526 /nfs/dbraw/zinc/45/45/26/743454526.db2.gz CJAJVOFLQISKBQ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001212465058 743454532 /nfs/dbraw/zinc/45/45/32/743454532.db2.gz CJAJVOFLQISKBQ-BZUAXINKSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001183353877 743821136 /nfs/dbraw/zinc/82/11/36/743821136.db2.gz FLTCJODETFPARX-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001183353877 743821140 /nfs/dbraw/zinc/82/11/40/743821140.db2.gz FLTCJODETFPARX-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035837184 751933408 /nfs/dbraw/zinc/93/34/08/751933408.db2.gz QSWWLMBQBNRVPU-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188689913 744748660 /nfs/dbraw/zinc/74/86/60/744748660.db2.gz FHNGLZPUFSJPRU-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190084424 745106533 /nfs/dbraw/zinc/10/65/33/745106533.db2.gz MXENKJSHMAQXCP-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084424 745106534 /nfs/dbraw/zinc/10/65/34/745106534.db2.gz MXENKJSHMAQXCP-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190084424 745106535 /nfs/dbraw/zinc/10/65/35/745106535.db2.gz MXENKJSHMAQXCP-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151250 745129595 /nfs/dbraw/zinc/12/95/95/745129595.db2.gz NRPQPDMNXVPMIT-WCXIOVBPSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001190221849 745143442 /nfs/dbraw/zinc/14/34/42/745143442.db2.gz QOZFBQQLDLEXRF-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC000992917210 745291119 /nfs/dbraw/zinc/29/11/19/745291119.db2.gz LAWXPKJUZFTHRI-HRCADAONSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001190725746 745308315 /nfs/dbraw/zinc/30/83/15/745308315.db2.gz RDBKKYOEAQUXKI-LUNNPTDRSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC/C=C\CC)C1 ZINC001190725746 745308320 /nfs/dbraw/zinc/30/83/20/745308320.db2.gz RDBKKYOEAQUXKI-LUNNPTDRSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001190725746 745308327 /nfs/dbraw/zinc/30/83/27/745308327.db2.gz RDBKKYOEAQUXKI-LUNNPTDRSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC/C=C\CC)C1 ZINC001190725746 745308331 /nfs/dbraw/zinc/30/83/31/745308331.db2.gz RDBKKYOEAQUXKI-LUNNPTDRSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC/C=C\CC)C1 ZINC001190725746 745308339 /nfs/dbraw/zinc/30/83/39/745308339.db2.gz RDBKKYOEAQUXKI-LUNNPTDRSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203729224 745370241 /nfs/dbraw/zinc/37/02/41/745370241.db2.gz DXWPCZCYESADDI-LSDHHAIUSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923121 745646388 /nfs/dbraw/zinc/64/63/88/745646388.db2.gz QWWDFOCCFKASPQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923121 745646391 /nfs/dbraw/zinc/64/63/91/745646391.db2.gz QWWDFOCCFKASPQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001191923121 745646395 /nfs/dbraw/zinc/64/63/95/745646395.db2.gz QWWDFOCCFKASPQ-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001192356243 745765369 /nfs/dbraw/zinc/76/53/69/745765369.db2.gz XXMPGIGBPRXPPI-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001192356243 745765374 /nfs/dbraw/zinc/76/53/74/745765374.db2.gz XXMPGIGBPRXPPI-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001192356243 745765377 /nfs/dbraw/zinc/76/53/77/745765377.db2.gz XXMPGIGBPRXPPI-QAPCUYQASA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993337509 746009263 /nfs/dbraw/zinc/00/92/63/746009263.db2.gz ZQVGGZGQZZGORF-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000993337509 746009269 /nfs/dbraw/zinc/00/92/69/746009269.db2.gz ZQVGGZGQZZGORF-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC(C)(C)C1 ZINC001089352045 746091089 /nfs/dbraw/zinc/09/10/89/746091089.db2.gz QBGXBHFPFPPSTC-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC(C)(C)C1 ZINC001089352045 746091097 /nfs/dbraw/zinc/09/10/97/746091097.db2.gz QBGXBHFPFPPSTC-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352045 746091099 /nfs/dbraw/zinc/09/10/99/746091099.db2.gz QBGXBHFPFPPSTC-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC(C)(C)C1 ZINC001089352045 746091106 /nfs/dbraw/zinc/09/11/06/746091106.db2.gz QBGXBHFPFPPSTC-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993803959 746328451 /nfs/dbraw/zinc/32/84/51/746328451.db2.gz JYBAIPYXIFLRQQ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H]1C ZINC000993803959 746328455 /nfs/dbraw/zinc/32/84/55/746328455.db2.gz JYBAIPYXIFLRQQ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993803959 746328461 /nfs/dbraw/zinc/32/84/61/746328461.db2.gz JYBAIPYXIFLRQQ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@@H]1C ZINC000993803959 746328465 /nfs/dbraw/zinc/32/84/65/746328465.db2.gz JYBAIPYXIFLRQQ-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993932905 746379961 /nfs/dbraw/zinc/37/99/61/746379961.db2.gz WPYTXBPFUMYWIV-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001194729034 746451816 /nfs/dbraw/zinc/45/18/16/746451816.db2.gz MUPNAIKDWSOKGP-HZPDHXFCSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484617 747062524 /nfs/dbraw/zinc/06/25/24/747062524.db2.gz YQANXZZROOGTMC-INIZCTEOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089539533 747172250 /nfs/dbraw/zinc/17/22/50/747172250.db2.gz LVQMDPGBYDOTPB-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197536200 747188363 /nfs/dbraw/zinc/18/83/63/747188363.db2.gz OMBRFCQRFRPVSD-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536200 747188364 /nfs/dbraw/zinc/18/83/64/747188364.db2.gz OMBRFCQRFRPVSD-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197536200 747188365 /nfs/dbraw/zinc/18/83/65/747188365.db2.gz OMBRFCQRFRPVSD-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007494360 752172406 /nfs/dbraw/zinc/17/24/06/752172406.db2.gz XEUGUMTULZVJNW-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007494360 752172408 /nfs/dbraw/zinc/17/24/08/752172408.db2.gz XEUGUMTULZVJNW-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007494360 752172411 /nfs/dbraw/zinc/17/24/11/752172411.db2.gz XEUGUMTULZVJNW-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007494360 752172414 /nfs/dbraw/zinc/17/24/14/752172414.db2.gz XEUGUMTULZVJNW-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001089616255 747470026 /nfs/dbraw/zinc/47/00/26/747470026.db2.gz CZPAXXVPCSWFAT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616255 747470033 /nfs/dbraw/zinc/47/00/33/747470033.db2.gz CZPAXXVPCSWFAT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001089616255 747470038 /nfs/dbraw/zinc/47/00/38/747470038.db2.gz CZPAXXVPCSWFAT-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033075664 748205706 /nfs/dbraw/zinc/20/57/06/748205706.db2.gz IPCMWDCNKGKAST-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033075664 748205712 /nfs/dbraw/zinc/20/57/12/748205712.db2.gz IPCMWDCNKGKAST-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200688356 748311237 /nfs/dbraw/zinc/31/12/37/748311237.db2.gz NWDFAQSPEFXHKI-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001201053174 748407719 /nfs/dbraw/zinc/40/77/19/748407719.db2.gz MBWOLERCJKQJMY-HNNXBMFYSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](F)CC)CC1 ZINC001201094744 748409352 /nfs/dbraw/zinc/40/93/52/748409352.db2.gz VOVVLKAVFMYUCY-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](F)CC)CC1 ZINC001201094744 748409354 /nfs/dbraw/zinc/40/93/54/748409354.db2.gz VOVVLKAVFMYUCY-ZBFHGGJFSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CCCO1 ZINC001201420578 748509707 /nfs/dbraw/zinc/50/97/07/748509707.db2.gz LUWPYXQLBZNRQE-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201864447 748614239 /nfs/dbraw/zinc/61/42/39/748614239.db2.gz XKDVSXUHFCXWBZ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001202496292 748927437 /nfs/dbraw/zinc/92/74/37/748927437.db2.gz QZTIXEGIKKNTNU-OAHLLOKOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366139 749254654 /nfs/dbraw/zinc/25/46/54/749254654.db2.gz NSPFYYZPQNHTQX-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366139 749254655 /nfs/dbraw/zinc/25/46/55/749254655.db2.gz NSPFYYZPQNHTQX-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995923162 749290766 /nfs/dbraw/zinc/29/07/66/749290766.db2.gz LWSLAGUZEGSAHH-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995923162 749290771 /nfs/dbraw/zinc/29/07/71/749290771.db2.gz LWSLAGUZEGSAHH-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418102 749317395 /nfs/dbraw/zinc/31/73/95/749317395.db2.gz ZURCFUGPIADTLN-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033418102 749317397 /nfs/dbraw/zinc/31/73/97/749317397.db2.gz ZURCFUGPIADTLN-HZPDHXFCSA-N 2 1 314.433 1.310 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001006344876 749409871 /nfs/dbraw/zinc/40/98/71/749409871.db2.gz GJXNEIZXRGJMLL-SFHVURJKSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCC(=C)C)C2)CC1 ZINC001033689377 749728730 /nfs/dbraw/zinc/72/87/30/749728730.db2.gz XYDQOURRFYGDLW-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C2 ZINC001110858931 749766057 /nfs/dbraw/zinc/76/60/57/749766057.db2.gz UZBUEUQMGVAXQN-KURKYZTESA-N 2 1 317.477 1.996 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001107530946 750093942 /nfs/dbraw/zinc/09/39/42/750093942.db2.gz UIEOKFDOHUZLLX-SJLPKXTDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546716 750117432 /nfs/dbraw/zinc/11/74/32/750117432.db2.gz MQUSHQYXOILTTR-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546716 750117437 /nfs/dbraw/zinc/11/74/37/750117437.db2.gz MQUSHQYXOILTTR-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546716 750117441 /nfs/dbraw/zinc/11/74/41/750117441.db2.gz MQUSHQYXOILTTR-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005494385 750224685 /nfs/dbraw/zinc/22/46/85/750224685.db2.gz WIHASTFVKMNCOP-KRWDZBQOSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039424693 762022604 /nfs/dbraw/zinc/02/26/04/762022604.db2.gz DWCKULZPNXYWCM-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424693 762022615 /nfs/dbraw/zinc/02/26/15/762022615.db2.gz DWCKULZPNXYWCM-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039424693 762022624 /nfs/dbraw/zinc/02/26/24/762022624.db2.gz DWCKULZPNXYWCM-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn2c(C)cnc2c1 ZINC001032403346 750591730 /nfs/dbraw/zinc/59/17/30/750591730.db2.gz ZAQLSTZTRWBWBE-HOTGVXAUSA-N 2 1 308.385 1.565 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401086 762052716 /nfs/dbraw/zinc/05/27/16/762052716.db2.gz MGAHESGZVWSVEM-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401086 762052726 /nfs/dbraw/zinc/05/27/26/762052726.db2.gz MGAHESGZVWSVEM-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001032407974 750608524 /nfs/dbraw/zinc/60/85/24/750608524.db2.gz QXHKAKNQDCWDOE-YESZJQIVSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034962301 751095988 /nfs/dbraw/zinc/09/59/88/751095988.db2.gz IAUNHMOYRSXMER-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001034962301 751095994 /nfs/dbraw/zinc/09/59/94/751095994.db2.gz IAUNHMOYRSXMER-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903785 751212595 /nfs/dbraw/zinc/21/25/95/751212595.db2.gz LOGYUKWZHBPGBA-BDXSIMOUSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903785 751212597 /nfs/dbraw/zinc/21/25/97/751212597.db2.gz LOGYUKWZHBPGBA-BDXSIMOUSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903785 751212598 /nfs/dbraw/zinc/21/25/98/751212598.db2.gz LOGYUKWZHBPGBA-BDXSIMOUSA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035244852 751326493 /nfs/dbraw/zinc/32/64/93/751326493.db2.gz GDIVRBPMQDFLKY-UHFFFAOYSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999125881 752551771 /nfs/dbraw/zinc/55/17/71/752551771.db2.gz LLEQLVJUNCOSFT-UHFFFAOYSA-N 2 1 302.422 1.527 20 30 DDEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000775831 762186981 /nfs/dbraw/zinc/18/69/81/762186981.db2.gz FOOXTUZQLLMSFH-INIZCTEOSA-N 2 1 312.417 1.532 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000775831 762186986 /nfs/dbraw/zinc/18/69/86/762186986.db2.gz FOOXTUZQLLMSFH-INIZCTEOSA-N 2 1 312.417 1.532 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000999672959 753079762 /nfs/dbraw/zinc/07/97/62/753079762.db2.gz SDPADZLOAKEDNA-OFLPRAFFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](OC)C1 ZINC001212437032 753727965 /nfs/dbraw/zinc/72/79/65/753727965.db2.gz WMTQGTSHXSHUKG-OAGGEKHMSA-N 2 1 311.470 1.354 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000839763 762252167 /nfs/dbraw/zinc/25/21/67/762252167.db2.gz GMYCKMCSCVWOFU-SJORKVTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000839763 762252172 /nfs/dbraw/zinc/25/21/72/762252172.db2.gz GMYCKMCSCVWOFU-SJORKVTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000839763 762252175 /nfs/dbraw/zinc/25/21/75/762252175.db2.gz GMYCKMCSCVWOFU-SJORKVTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001000865444 762280193 /nfs/dbraw/zinc/28/01/93/762280193.db2.gz BLSCNMYPGRVWCX-HNNXBMFYSA-N 2 1 312.417 1.205 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001000865444 762280201 /nfs/dbraw/zinc/28/02/01/762280201.db2.gz BLSCNMYPGRVWCX-HNNXBMFYSA-N 2 1 312.417 1.205 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078680858 754297607 /nfs/dbraw/zinc/29/76/07/754297607.db2.gz UKRWCHYKVMMDCX-LSDHHAIUSA-N 2 1 302.422 1.785 20 30 DDEDMP C=C(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001001835731 754531178 /nfs/dbraw/zinc/53/11/78/754531178.db2.gz ZLUFGBBPUKUULL-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001000895886 762314970 /nfs/dbraw/zinc/31/49/70/762314970.db2.gz WZBBOVWUDSQUQR-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001080190940 755757004 /nfs/dbraw/zinc/75/70/04/755757004.db2.gz OMTQAVOQZXDMOS-CRAIPNDOSA-N 2 1 313.445 1.474 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001080593066 755986030 /nfs/dbraw/zinc/98/60/30/755986030.db2.gz HNJGMMFBGZDSCM-GDBMZVCRSA-N 2 1 319.453 1.071 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015713421 756489720 /nfs/dbraw/zinc/48/97/20/756489720.db2.gz NCYAXQPUPOOZPG-KRWDZBQOSA-N 2 1 301.434 1.781 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC001082513391 756836367 /nfs/dbraw/zinc/83/63/67/756836367.db2.gz MPYMZMKCGXVHDZ-JFIYKMOQSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097318451 757088566 /nfs/dbraw/zinc/08/85/66/757088566.db2.gz PUQKHKDDLHXOFD-ZACQAIPSSA-N 2 1 315.461 1.607 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097318451 757088573 /nfs/dbraw/zinc/08/85/73/757088573.db2.gz PUQKHKDDLHXOFD-ZACQAIPSSA-N 2 1 315.461 1.607 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016611863 757203570 /nfs/dbraw/zinc/20/35/70/757203570.db2.gz GTVGJMLSDZETJA-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016618174 757208519 /nfs/dbraw/zinc/20/85/19/757208519.db2.gz QDYOTGMQAJRFRB-HOTGVXAUSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001016631523 757219794 /nfs/dbraw/zinc/21/97/94/757219794.db2.gz TZGMHDAGNMZVMT-ARFHVFGLSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001016662073 757246233 /nfs/dbraw/zinc/24/62/33/757246233.db2.gz HSPDPXUFQOMKQI-GJZGRUSLSA-N 2 1 314.433 1.917 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084606941 757704884 /nfs/dbraw/zinc/70/48/84/757704884.db2.gz GXXIDIYWBFKFAF-BRWVUGGUSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001084606941 757704888 /nfs/dbraw/zinc/70/48/88/757704888.db2.gz GXXIDIYWBFKFAF-BRWVUGGUSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084606941 757704893 /nfs/dbraw/zinc/70/48/93/757704893.db2.gz GXXIDIYWBFKFAF-BRWVUGGUSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001084606941 757704898 /nfs/dbraw/zinc/70/48/98/757704898.db2.gz GXXIDIYWBFKFAF-BRWVUGGUSA-N 2 1 321.465 1.204 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040526950 762577505 /nfs/dbraw/zinc/57/75/05/762577505.db2.gz DDCXOTDUBSLTSR-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040526950 762577511 /nfs/dbraw/zinc/57/75/11/762577511.db2.gz DDCXOTDUBSLTSR-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040526950 762577517 /nfs/dbraw/zinc/57/75/17/762577517.db2.gz DDCXOTDUBSLTSR-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001052873362 757909448 /nfs/dbraw/zinc/90/94/48/757909448.db2.gz OTXLBAWIXCEHMP-HNNXBMFYSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001040733781 762666646 /nfs/dbraw/zinc/66/66/46/762666646.db2.gz WKUUGOOPIXYYQO-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001246229 762693091 /nfs/dbraw/zinc/69/30/91/762693091.db2.gz UCKABSMMTHNQKS-DLBZAZTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001246229 762693095 /nfs/dbraw/zinc/69/30/95/762693095.db2.gz UCKABSMMTHNQKS-DLBZAZTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001246229 762693101 /nfs/dbraw/zinc/69/31/01/762693101.db2.gz UCKABSMMTHNQKS-DLBZAZTESA-N 2 1 301.434 1.385 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639099 759911906 /nfs/dbraw/zinc/91/19/06/759911906.db2.gz HWNHYSRCFSMTEW-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001085639099 759911912 /nfs/dbraw/zinc/91/19/12/759911912.db2.gz HWNHYSRCFSMTEW-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001085639099 759911918 /nfs/dbraw/zinc/91/19/18/759911918.db2.gz HWNHYSRCFSMTEW-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001085639099 759911922 /nfs/dbraw/zinc/91/19/22/759911922.db2.gz HWNHYSRCFSMTEW-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001085646721 759932903 /nfs/dbraw/zinc/93/29/03/759932903.db2.gz NJQWLCBJQIZRDF-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001085646721 759932909 /nfs/dbraw/zinc/93/29/09/759932909.db2.gz NJQWLCBJQIZRDF-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCC1 ZINC001085646721 759932916 /nfs/dbraw/zinc/93/29/16/759932916.db2.gz NJQWLCBJQIZRDF-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CC1CCC1 ZINC001085646721 759932920 /nfs/dbraw/zinc/93/29/20/759932920.db2.gz NJQWLCBJQIZRDF-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789022 760245143 /nfs/dbraw/zinc/24/51/43/760245143.db2.gz YVQHABBDEDPOFZ-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085789022 760245148 /nfs/dbraw/zinc/24/51/48/760245148.db2.gz YVQHABBDEDPOFZ-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001020250753 760722731 /nfs/dbraw/zinc/72/27/31/760722731.db2.gz OXDFMSBKXYRSOR-JYJNAYRXSA-N 2 1 317.458 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001020250753 760722737 /nfs/dbraw/zinc/72/27/37/760722737.db2.gz OXDFMSBKXYRSOR-JYJNAYRXSA-N 2 1 317.458 1.583 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001046850231 767982208 /nfs/dbraw/zinc/98/22/08/767982208.db2.gz PTBCMHLRYRJPJW-SJLPKXTDSA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086177982 761120673 /nfs/dbraw/zinc/12/06/73/761120673.db2.gz OLLMWKOOFOXCHV-HRCADAONSA-N 2 1 316.449 1.814 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038895135 761518879 /nfs/dbraw/zinc/51/88/79/761518879.db2.gz BVDTUVIKFQJZJM-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038895135 761518889 /nfs/dbraw/zinc/51/88/89/761518889.db2.gz BVDTUVIKFQJZJM-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001000198012 761569911 /nfs/dbraw/zinc/56/99/11/761569911.db2.gz JWMSYFHJRDVJEU-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086478369 761682706 /nfs/dbraw/zinc/68/27/06/761682706.db2.gz OQJIEHQHCVEEJK-BZUAXINKSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CC[NH+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039125615 761762993 /nfs/dbraw/zinc/76/29/93/761762993.db2.gz FFFFVDDQJXJVPJ-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039125615 761762995 /nfs/dbraw/zinc/76/29/95/761762995.db2.gz FFFFVDDQJXJVPJ-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039125615 761762997 /nfs/dbraw/zinc/76/29/97/761762997.db2.gz FFFFVDDQJXJVPJ-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039229998 761865081 /nfs/dbraw/zinc/86/50/81/761865081.db2.gz PCWRVZPFWACILV-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001039229998 761865093 /nfs/dbraw/zinc/86/50/93/761865093.db2.gz PCWRVZPFWACILV-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040913897 762732125 /nfs/dbraw/zinc/73/21/25/762732125.db2.gz IVVINLSPEXUOSQ-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041285717 762934232 /nfs/dbraw/zinc/93/42/32/762934232.db2.gz HEVPNYCDHCRYDU-MJGOQNOKSA-N 2 1 317.477 1.829 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041287442 762934947 /nfs/dbraw/zinc/93/49/47/762934947.db2.gz QRLKPABFPVQCMH-PKOBYXMFSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288275 762936515 /nfs/dbraw/zinc/93/65/15/762936515.db2.gz VHWJJCPWTGRLTI-PKOBYXMFSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]21 ZINC001042132397 763688020 /nfs/dbraw/zinc/68/80/20/763688020.db2.gz CARKTUJQGUVVDT-YJBOKZPZSA-N 2 1 322.412 1.894 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042186274 763752838 /nfs/dbraw/zinc/75/28/38/763752838.db2.gz GAFNPZUHZGILBZ-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC001050592882 763798524 /nfs/dbraw/zinc/79/85/24/763798524.db2.gz ZXFXKCAIRXSNMD-UHFFFAOYSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001111552955 764299870 /nfs/dbraw/zinc/29/98/70/764299870.db2.gz QSWLQUOALDJIQD-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557763 764401098 /nfs/dbraw/zinc/40/10/98/764401098.db2.gz XSFKHXCHTDRFSQ-WMZOPIPTSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131681743 768259566 /nfs/dbraw/zinc/25/95/66/768259566.db2.gz HNFVWAWEBWIGFB-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100320647 765720643 /nfs/dbraw/zinc/72/06/43/765720643.db2.gz LTHXEMXTZAQKQY-JCYILVPMSA-N 2 1 323.481 1.546 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001170211924 766171808 /nfs/dbraw/zinc/17/18/08/766171808.db2.gz RQDOWWWHSJNBIT-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C1CC[NH+](CC#C)CC1)CC2 ZINC001045895367 766674148 /nfs/dbraw/zinc/67/41/48/766674148.db2.gz FNMMIKIEQCTNMK-MSOLQXFVSA-N 2 1 313.445 1.030 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001129771051 766999404 /nfs/dbraw/zinc/99/94/04/766999404.db2.gz OZGHZFGTCUCTKS-AEFFLSMTSA-N 2 1 313.445 1.859 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1ccccc1C ZINC001129771051 766999410 /nfs/dbraw/zinc/99/94/10/766999410.db2.gz OZGHZFGTCUCTKS-AEFFLSMTSA-N 2 1 313.445 1.859 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090522 767406056 /nfs/dbraw/zinc/40/60/56/767406056.db2.gz GGHGLHIBSYMYGE-PMPSAXMXSA-N 2 1 314.433 1.751 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001096090522 767406061 /nfs/dbraw/zinc/40/60/61/767406061.db2.gz GGHGLHIBSYMYGE-PMPSAXMXSA-N 2 1 314.433 1.751 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001130298009 767419509 /nfs/dbraw/zinc/41/95/09/767419509.db2.gz VOFDIGYPTBQHNJ-MRXNPFEDSA-N 2 1 318.396 1.387 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133005068 769397648 /nfs/dbraw/zinc/39/76/48/769397648.db2.gz UPLLMIFEUCALAX-UKRRQHHQSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001048510281 769470595 /nfs/dbraw/zinc/47/05/95/769470595.db2.gz MBDAIXMHWSFKST-YYIAUSFCSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCF)C2)CC1 ZINC001072096327 770537505 /nfs/dbraw/zinc/53/75/05/770537505.db2.gz XNANPCHPKAOYGV-GDBMZVCRSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCF)C2)CC1 ZINC001072096327 770537507 /nfs/dbraw/zinc/53/75/07/770537507.db2.gz XNANPCHPKAOYGV-GDBMZVCRSA-N 2 1 309.429 1.270 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049235863 770582844 /nfs/dbraw/zinc/58/28/44/770582844.db2.gz WHXUFINTFSXRCX-FGTMMUONSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001086717436 770626569 /nfs/dbraw/zinc/62/65/69/770626569.db2.gz XOWDMSFGULODKV-LZLYRXPVSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480080 770909168 /nfs/dbraw/zinc/90/91/68/770909168.db2.gz CWPBCHHZGQXOMZ-VVLHAWIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480080 770909174 /nfs/dbraw/zinc/90/91/74/770909174.db2.gz CWPBCHHZGQXOMZ-VVLHAWIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480080 770909180 /nfs/dbraw/zinc/90/91/80/770909180.db2.gz CWPBCHHZGQXOMZ-VVLHAWIVSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001049536813 770997181 /nfs/dbraw/zinc/99/71/81/770997181.db2.gz OLKCRMYRMKXEAX-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001049536813 770997184 /nfs/dbraw/zinc/99/71/84/770997184.db2.gz OLKCRMYRMKXEAX-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001049536813 770997190 /nfs/dbraw/zinc/99/71/90/770997190.db2.gz OLKCRMYRMKXEAX-OKZBNKHCSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001049611434 771016917 /nfs/dbraw/zinc/01/69/17/771016917.db2.gz GIXUXZASBWCCQM-RCCFBDPRSA-N 2 1 315.461 1.559 20 30 DDEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC#CCOC ZINC001170783867 771278809 /nfs/dbraw/zinc/27/88/09/771278809.db2.gz AJFJHWKHJKGOAI-QGZVFWFLSA-N 2 1 323.481 1.387 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001146711727 772924143 /nfs/dbraw/zinc/92/41/43/772924143.db2.gz VOCFXJKJGOMQRE-UHFFFAOYSA-N 2 1 321.852 1.739 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147725116 773213208 /nfs/dbraw/zinc/21/32/08/773213208.db2.gz SNEIGSPXOWHAPB-MRXNPFEDSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677838 773296583 /nfs/dbraw/zinc/29/65/83/773296583.db2.gz UAMHCWIERFTHCU-MRXNPFEDSA-N 2 1 321.465 1.398 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801755 773423780 /nfs/dbraw/zinc/42/37/80/773423780.db2.gz UBWKBWRNKKHLOC-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801755 773423783 /nfs/dbraw/zinc/42/37/83/773423783.db2.gz UBWKBWRNKKHLOC-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801755 773423787 /nfs/dbraw/zinc/42/37/87/773423787.db2.gz UBWKBWRNKKHLOC-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801755 773423791 /nfs/dbraw/zinc/42/37/91/773423791.db2.gz UBWKBWRNKKHLOC-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086909863 773711071 /nfs/dbraw/zinc/71/10/71/773711071.db2.gz FWVFDBPIONTYDL-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001091823478 773831083 /nfs/dbraw/zinc/83/10/83/773831083.db2.gz FCNAKOPOTHVOOP-QAPCUYQASA-N 2 1 310.401 1.914 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092278191 774041050 /nfs/dbraw/zinc/04/10/50/774041050.db2.gz JIFPPIMWPOBVKV-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001092278191 774041056 /nfs/dbraw/zinc/04/10/56/774041056.db2.gz JIFPPIMWPOBVKV-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062812 774803992 /nfs/dbraw/zinc/80/39/92/774803992.db2.gz HRKMYCQLKBALOC-HKUYNNGSSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099107183 774837538 /nfs/dbraw/zinc/83/75/38/774837538.db2.gz WYDGJXNAMWSZSG-IRXDYDNUSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001099281512 774930898 /nfs/dbraw/zinc/93/08/98/774930898.db2.gz UXTROVMFYJJCIS-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099938114 775447023 /nfs/dbraw/zinc/44/70/23/775447023.db2.gz QVVQTYTZHVAHBM-JKSUJKDBSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100127022 775712147 /nfs/dbraw/zinc/71/21/47/775712147.db2.gz QSKVJALXKBKYJV-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100406073 776109054 /nfs/dbraw/zinc/10/90/54/776109054.db2.gz ZMVSNDWYCGWJGY-NRXISQOPSA-N 2 1 300.406 1.268 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001110161422 776203280 /nfs/dbraw/zinc/20/32/80/776203280.db2.gz DWIHROJFSROMPP-VSZNYVQBSA-N 2 1 317.477 1.852 20 30 DDEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc(C(N)=O)cc1)C2 ZINC001172119247 776656622 /nfs/dbraw/zinc/65/66/22/776656622.db2.gz WWSGBCWVSPXPIB-QKDCVEJESA-N 2 1 300.406 1.506 20 30 DDEDMP C#CCCN1CCC[C@H]([NH2+]C2CC[NH+](CCCOC)CC2)C1=O ZINC001172250830 776736623 /nfs/dbraw/zinc/73/66/23/776736623.db2.gz XGUHIGGHXYDHFV-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102013370 777795969 /nfs/dbraw/zinc/79/59/69/777795969.db2.gz WMRNXZULWXVDCT-OAGGEKHMSA-N 2 1 311.445 1.374 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001175529617 777826272 /nfs/dbraw/zinc/82/62/72/777826272.db2.gz ZVPXTOMNGCPOMO-OAHLLOKOSA-N 2 1 304.438 1.904 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369751 778100673 /nfs/dbraw/zinc/10/06/73/778100673.db2.gz FWWZFCXFSKOWAO-GVDBMIGSSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369751 778100681 /nfs/dbraw/zinc/10/06/81/778100681.db2.gz FWWZFCXFSKOWAO-GVDBMIGSSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)[C@H](C)C1 ZINC001102369751 778100685 /nfs/dbraw/zinc/10/06/85/778100685.db2.gz FWWZFCXFSKOWAO-GVDBMIGSSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC001102589663 778227277 /nfs/dbraw/zinc/22/72/77/778227277.db2.gz ZIHQBJAQONIFPU-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC001102589663 778227281 /nfs/dbraw/zinc/22/72/81/778227281.db2.gz ZIHQBJAQONIFPU-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589663 778227284 /nfs/dbraw/zinc/22/72/84/778227284.db2.gz ZIHQBJAQONIFPU-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)[C@H](C)C1 ZINC001102589663 778227290 /nfs/dbraw/zinc/22/72/90/778227290.db2.gz ZIHQBJAQONIFPU-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177120145 778433875 /nfs/dbraw/zinc/43/38/75/778433875.db2.gz UGJAEDAYBIWFLD-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177120145 778433869 /nfs/dbraw/zinc/43/38/69/778433869.db2.gz UGJAEDAYBIWFLD-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)OC ZINC001178722357 779138944 /nfs/dbraw/zinc/13/89/44/779138944.db2.gz GVOHEXPSSXBRAI-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]C[C@H](C)OC ZINC001178722357 779138949 /nfs/dbraw/zinc/13/89/49/779138949.db2.gz GVOHEXPSSXBRAI-IRXDYDNUSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178688668 779141129 /nfs/dbraw/zinc/14/11/29/779141129.db2.gz FOJNEHIGAVXKEZ-ULQDDVLXSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001111788383 779482517 /nfs/dbraw/zinc/48/25/17/779482517.db2.gz BDHLAQDWOPPVAS-JZXOWHBKSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112429052 779774976 /nfs/dbraw/zinc/77/49/76/779774976.db2.gz QOAHGYAOSCEGLF-BQFCYCMXSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(c1ccccc1)[NH+](C)C ZINC001115103002 779876577 /nfs/dbraw/zinc/87/65/77/779876577.db2.gz BYAWUBZZKGYLFJ-VUHPKUFZSA-N 2 1 313.445 1.696 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001267182195 837485316 /nfs/dbraw/zinc/48/53/16/837485316.db2.gz WPLVZEPJDDJDKE-QGZVFWFLSA-N 2 1 323.456 1.662 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001266469961 836310342 /nfs/dbraw/zinc/31/03/42/836310342.db2.gz WZJCEBUUBLLTKY-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001266880442 836990052 /nfs/dbraw/zinc/99/00/52/836990052.db2.gz IOJHNCADQFVXQD-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCOC(C)C)C1 ZINC001267768087 838916634 /nfs/dbraw/zinc/91/66/34/838916634.db2.gz SPNXNLXMGKUVHL-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC001267768087 838916638 /nfs/dbraw/zinc/91/66/38/838916638.db2.gz SPNXNLXMGKUVHL-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC(C)C)C1 ZINC001267768087 838916643 /nfs/dbraw/zinc/91/66/43/838916643.db2.gz SPNXNLXMGKUVHL-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC(C)C)C1 ZINC001267768087 838916649 /nfs/dbraw/zinc/91/66/49/838916649.db2.gz SPNXNLXMGKUVHL-SJORKVTESA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001267970416 839293729 /nfs/dbraw/zinc/29/37/29/839293729.db2.gz QTJRCOSCZDLACJ-MSOLQXFVSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)C ZINC001268212169 839842121 /nfs/dbraw/zinc/84/21/21/839842121.db2.gz HIAWAEBUIPHRPV-CABCVRRESA-N 2 1 304.438 1.760 20 30 DDEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268242236 839882581 /nfs/dbraw/zinc/88/25/81/839882581.db2.gz LVBKSXHCHWGGHC-UHFFFAOYSA-N 2 1 313.405 1.847 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001280445121 844585318 /nfs/dbraw/zinc/58/53/18/844585318.db2.gz NYYNYAIPVPVQKB-CYBMUJFWSA-N 2 1 306.410 1.507 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001269347647 841549150 /nfs/dbraw/zinc/54/91/50/841549150.db2.gz AWQHWUSSICNIOD-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001269347647 841549157 /nfs/dbraw/zinc/54/91/57/841549157.db2.gz AWQHWUSSICNIOD-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001270796633 842907172 /nfs/dbraw/zinc/90/71/72/842907172.db2.gz IAWMNOMZBVFFCE-QZTJIDSGSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(c2nc([C@@H]3C[NH+]4CCC3CC4)no2)CC1 ZINC001326486038 861403581 /nfs/dbraw/zinc/40/35/81/861403581.db2.gz YJEFJZLEQRXOFZ-OAHLLOKOSA-N 2 1 300.406 1.691 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154785080 861452496 /nfs/dbraw/zinc/45/24/96/861452496.db2.gz YVTRWIHSSQOSNH-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154785080 861452504 /nfs/dbraw/zinc/45/25/04/861452504.db2.gz YVTRWIHSSQOSNH-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001154785080 861452507 /nfs/dbraw/zinc/45/25/07/861452507.db2.gz YVTRWIHSSQOSNH-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001409462845 845135834 /nfs/dbraw/zinc/13/58/34/845135834.db2.gz IMYGHGRMPUQSRY-NWDGAFQWSA-N 2 1 320.275 1.718 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894248 861546371 /nfs/dbraw/zinc/54/63/71/861546371.db2.gz KLONQNBNOCTGPT-CYBMUJFWSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894248 861546375 /nfs/dbraw/zinc/54/63/75/861546375.db2.gz KLONQNBNOCTGPT-CYBMUJFWSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(C)CN1C[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)OCC1=O ZINC001272887380 847594411 /nfs/dbraw/zinc/59/44/11/847594411.db2.gz CUBFEJKKYYAVLH-GOSISDBHSA-N 2 1 321.465 1.208 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001273428880 850243406 /nfs/dbraw/zinc/24/34/06/850243406.db2.gz RKEMRHRQDCWFHI-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001273428880 850243418 /nfs/dbraw/zinc/24/34/18/850243418.db2.gz RKEMRHRQDCWFHI-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001273428880 850243428 /nfs/dbraw/zinc/24/34/28/850243428.db2.gz RKEMRHRQDCWFHI-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCCN1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001327403246 862144497 /nfs/dbraw/zinc/14/44/97/862144497.db2.gz BRPUOSPTPKXAOJ-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CCCO[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001150625033 862364572 /nfs/dbraw/zinc/36/45/72/862364572.db2.gz HILBKVDNYVDRNH-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150625033 862364589 /nfs/dbraw/zinc/36/45/89/862364589.db2.gz HILBKVDNYVDRNH-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001150625033 862364608 /nfs/dbraw/zinc/36/46/08/862364608.db2.gz HILBKVDNYVDRNH-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(CC)CC ZINC001275573481 853378212 /nfs/dbraw/zinc/37/82/12/853378212.db2.gz CNDCCAXRLPYTKT-RDJZCZTQSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(CC)CC ZINC001275573481 853378217 /nfs/dbraw/zinc/37/82/17/853378217.db2.gz CNDCCAXRLPYTKT-RDJZCZTQSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(CC)CC ZINC001275573481 853378224 /nfs/dbraw/zinc/37/82/24/853378224.db2.gz CNDCCAXRLPYTKT-RDJZCZTQSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(CC)CC ZINC001275573481 853378229 /nfs/dbraw/zinc/37/82/29/853378229.db2.gz CNDCCAXRLPYTKT-RDJZCZTQSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001150795899 862473074 /nfs/dbraw/zinc/47/30/74/862473074.db2.gz RFEFZLJMSXNQHX-IAGOWNOFSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001275697196 853587903 /nfs/dbraw/zinc/58/79/03/853587903.db2.gz GJEAJVQGZDGTDN-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001275697196 853587904 /nfs/dbraw/zinc/58/79/04/853587904.db2.gz GJEAJVQGZDGTDN-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001275697196 853587908 /nfs/dbraw/zinc/58/79/08/853587908.db2.gz GJEAJVQGZDGTDN-WBVHZDCISA-N 2 1 301.434 1.749 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001155839549 862492520 /nfs/dbraw/zinc/49/25/20/862492520.db2.gz ZXIOHKQNUCGDBK-OAHLLOKOSA-N 2 1 301.434 1.822 20 30 DDEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001151026979 862585729 /nfs/dbraw/zinc/58/57/29/862585729.db2.gz MDCFVMFQGVHRGM-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001328021697 862639881 /nfs/dbraw/zinc/63/98/81/862639881.db2.gz CIHNQMRVRFDIAK-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151392609 862754178 /nfs/dbraw/zinc/75/41/78/862754178.db2.gz NKASZVQJZWTOKC-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001328198014 862766375 /nfs/dbraw/zinc/76/63/75/862766375.db2.gz IDGRZAMTTRJFEU-INIZCTEOSA-N 2 1 323.481 1.238 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596182 857033346 /nfs/dbraw/zinc/03/33/46/857033346.db2.gz SKYKYYBILZEZAG-JKSUJKDBSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596182 857033358 /nfs/dbraw/zinc/03/33/58/857033358.db2.gz SKYKYYBILZEZAG-JKSUJKDBSA-N 2 1 300.406 1.280 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001072850509 857800394 /nfs/dbraw/zinc/80/03/94/857800394.db2.gz ZXAAREYYABHOQS-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)C1 ZINC001072850509 857800401 /nfs/dbraw/zinc/80/04/01/857800401.db2.gz ZXAAREYYABHOQS-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C2)C1 ZINC001072850509 857800414 /nfs/dbraw/zinc/80/04/14/857800414.db2.gz ZXAAREYYABHOQS-HOTGVXAUSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923004 857894196 /nfs/dbraw/zinc/89/41/96/857894196.db2.gz KPIPTVIHERTTNX-UHFFFAOYSA-N 2 1 315.417 1.512 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923004 857894198 /nfs/dbraw/zinc/89/41/98/857894198.db2.gz KPIPTVIHERTTNX-UHFFFAOYSA-N 2 1 315.417 1.512 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072983078 857967520 /nfs/dbraw/zinc/96/75/20/857967520.db2.gz KLLAVLBKZUUTSD-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983078 857967527 /nfs/dbraw/zinc/96/75/27/857967527.db2.gz KLLAVLBKZUUTSD-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001072983078 857967534 /nfs/dbraw/zinc/96/75/34/857967534.db2.gz KLLAVLBKZUUTSD-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001072982966 857967979 /nfs/dbraw/zinc/96/79/79/857967979.db2.gz HAFHTFIMUDTOFH-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072982966 857967980 /nfs/dbraw/zinc/96/79/80/857967980.db2.gz HAFHTFIMUDTOFH-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001072982966 857967985 /nfs/dbraw/zinc/96/79/85/857967985.db2.gz HAFHTFIMUDTOFH-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001073098502 858097843 /nfs/dbraw/zinc/09/78/43/858097843.db2.gz CRZOPYGWGFUDPD-UHFFFAOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)OC)CC1 ZINC001157092384 863567577 /nfs/dbraw/zinc/56/75/77/863567577.db2.gz VPLIQELHPZFSSP-CVEARBPZSA-N 2 1 323.481 1.193 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001329472966 863686213 /nfs/dbraw/zinc/68/62/13/863686213.db2.gz VXOZUXZUCQVBNJ-HOTGVXAUSA-N 2 1 304.438 1.930 20 30 DDEDMP CC#CCN(C)[C@@H](C)CNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001329472966 863686220 /nfs/dbraw/zinc/68/62/20/863686220.db2.gz VXOZUXZUCQVBNJ-HOTGVXAUSA-N 2 1 304.438 1.930 20 30 DDEDMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001329515126 863705783 /nfs/dbraw/zinc/70/57/83/863705783.db2.gz KUOUHQJTASMBTP-HIFRSBDPSA-N 2 1 302.422 1.214 20 30 DDEDMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001329515126 863705787 /nfs/dbraw/zinc/70/57/87/863705787.db2.gz KUOUHQJTASMBTP-HIFRSBDPSA-N 2 1 302.422 1.214 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)COCC[NH+](C)C)CC1 ZINC001225154709 881706290 /nfs/dbraw/zinc/70/62/90/881706290.db2.gz GDQDBKQDAXJSJX-UHFFFAOYSA-N 2 1 317.861 1.145 20 30 DDEDMP C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824792 864137200 /nfs/dbraw/zinc/13/72/00/864137200.db2.gz XWVSZRVRXXCGJH-OCCSQVGLSA-N 2 1 301.862 1.906 20 30 DDEDMP C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824792 864137209 /nfs/dbraw/zinc/13/72/09/864137209.db2.gz XWVSZRVRXXCGJH-OCCSQVGLSA-N 2 1 301.862 1.906 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1C ZINC001332204600 865665587 /nfs/dbraw/zinc/66/55/87/865665587.db2.gz HSTKCCUHIXXXBA-ZBFHGGJFSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001160360582 865798643 /nfs/dbraw/zinc/79/86/43/865798643.db2.gz RBMKMNFIOMPMGF-UHFFFAOYSA-N 2 1 303.450 1.632 20 30 DDEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CC#CCOC)C1 ZINC001321207597 867402674 /nfs/dbraw/zinc/40/26/74/867402674.db2.gz IBIOICBGKDSQFA-VGOKWCNXSA-N 2 1 321.465 1.020 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001325138305 867807546 /nfs/dbraw/zinc/80/75/46/867807546.db2.gz PKHIONIBTHFSSF-SFHVURJKSA-N 2 1 323.481 1.238 20 30 DDEDMP COCC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001322307991 868108191 /nfs/dbraw/zinc/10/81/91/868108191.db2.gz UZRXYUFPTIBHFF-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001322307991 868108203 /nfs/dbraw/zinc/10/82/03/868108203.db2.gz UZRXYUFPTIBHFF-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(C)CCNC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001336109496 868735426 /nfs/dbraw/zinc/73/54/26/868735426.db2.gz MVEADEAWGHUGKT-IYBDPMFKSA-N 2 1 306.454 1.563 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317038493 870148828 /nfs/dbraw/zinc/14/88/28/870148828.db2.gz KDFWRZVBVRPAOL-BZSNNMDCSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317038493 870148834 /nfs/dbraw/zinc/14/88/34/870148834.db2.gz KDFWRZVBVRPAOL-BZSNNMDCSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317038493 870148837 /nfs/dbraw/zinc/14/88/37/870148837.db2.gz KDFWRZVBVRPAOL-BZSNNMDCSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001317409583 870778016 /nfs/dbraw/zinc/77/80/16/870778016.db2.gz RCAURKYIWDAXDL-JQHSSLGASA-N 2 1 313.445 1.449 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001276439631 870927420 /nfs/dbraw/zinc/92/74/20/870927420.db2.gz HVAMUGWJUGVATO-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCCF)C2)CC1 ZINC001317383692 871264693 /nfs/dbraw/zinc/26/46/93/871264693.db2.gz GLTJNLNGDHSMQO-KRWDZBQOSA-N 2 1 323.456 1.614 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518711 871603869 /nfs/dbraw/zinc/60/38/69/871603869.db2.gz IJSFUNHPOXFXNW-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001318024586 871694719 /nfs/dbraw/zinc/69/47/19/871694719.db2.gz CLGSGFWNGNDWKU-CQSZACIVSA-N 2 1 319.453 1.213 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC001341768275 871817086 /nfs/dbraw/zinc/81/70/86/871817086.db2.gz REPNGKKCUPCBNX-JKSUJKDBSA-N 2 1 305.397 1.982 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001317099501 871931567 /nfs/dbraw/zinc/93/15/67/871931567.db2.gz GFSVEUKQEOFKJD-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317099501 871931573 /nfs/dbraw/zinc/93/15/73/871931573.db2.gz GFSVEUKQEOFKJD-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317099501 871931578 /nfs/dbraw/zinc/93/15/78/871931578.db2.gz GFSVEUKQEOFKJD-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001316759123 872001193 /nfs/dbraw/zinc/00/11/93/872001193.db2.gz AVOHAQYFTKXWQN-MSOLQXFVSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCOCC1 ZINC001316883445 872202581 /nfs/dbraw/zinc/20/25/81/872202581.db2.gz YNVXWVBJVZORAL-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCC[NH+](C)C)C3)cc1C#N ZINC001276609997 874621699 /nfs/dbraw/zinc/62/16/99/874621699.db2.gz KHEMLXZYQBMQKC-ALOPSCKCSA-N 2 1 315.465 1.543 20 30 DDEDMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NCC[NH+](C)C)C3)cc1C#N ZINC001276609997 874621703 /nfs/dbraw/zinc/62/17/03/874621703.db2.gz KHEMLXZYQBMQKC-ALOPSCKCSA-N 2 1 315.465 1.543 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829546 875140004 /nfs/dbraw/zinc/14/00/04/875140004.db2.gz GDSPVIHKHKVYIZ-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213725876 876034558 /nfs/dbraw/zinc/03/45/58/876034558.db2.gz LUDZNPNNROOQTK-ARFHVFGLSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857173 876083395 /nfs/dbraw/zinc/08/33/95/876083395.db2.gz HBDCMCUNBORRNE-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857173 876083400 /nfs/dbraw/zinc/08/34/00/876083400.db2.gz HBDCMCUNBORRNE-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857173 876083407 /nfs/dbraw/zinc/08/34/07/876083407.db2.gz HBDCMCUNBORRNE-GVDBMIGSSA-N 2 1 323.481 1.500 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001379268612 876709962 /nfs/dbraw/zinc/70/99/62/876709962.db2.gz OXRIJUJCRVWQLP-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216755856 877043455 /nfs/dbraw/zinc/04/34/55/877043455.db2.gz HENIFEZHJWTQJL-IJEWVQPXSA-N 2 1 304.438 1.983 20 30 DDEDMP C[C@@H](C[N@H+](C)Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001379745658 877894822 /nfs/dbraw/zinc/89/48/22/877894822.db2.gz SZMGVENAFHXEAZ-ZDUSSCGKSA-N 2 1 320.412 1.586 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)NC(=O)CC[NH+](C)C ZINC001379745658 877894829 /nfs/dbraw/zinc/89/48/29/877894829.db2.gz SZMGVENAFHXEAZ-ZDUSSCGKSA-N 2 1 320.412 1.586 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](O)C1 ZINC001220476371 879048735 /nfs/dbraw/zinc/04/87/35/879048735.db2.gz DQLQAVPCBNHYNO-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755233 879229462 /nfs/dbraw/zinc/22/94/62/879229462.db2.gz ICVPSOXWLMAJNK-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755233 879229475 /nfs/dbraw/zinc/22/94/75/879229475.db2.gz ICVPSOXWLMAJNK-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755233 879229489 /nfs/dbraw/zinc/22/94/89/879229489.db2.gz ICVPSOXWLMAJNK-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380494798 879780669 /nfs/dbraw/zinc/78/06/69/879780669.db2.gz GZBAJMCDEUIMFD-ZBFHGGJFSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001380494798 879780674 /nfs/dbraw/zinc/78/06/74/879780674.db2.gz GZBAJMCDEUIMFD-ZBFHGGJFSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380494798 879780680 /nfs/dbraw/zinc/78/06/80/879780680.db2.gz GZBAJMCDEUIMFD-ZBFHGGJFSA-N 2 1 313.873 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001380494798 879780688 /nfs/dbraw/zinc/78/06/88/879780688.db2.gz GZBAJMCDEUIMFD-ZBFHGGJFSA-N 2 1 313.873 1.909 20 30 DDEDMP N#Cc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)ccc1Cl ZINC001222104223 880255174 /nfs/dbraw/zinc/25/51/74/880255174.db2.gz BVLSRJSWVSJMNA-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP N#Cc1cc(Cl)cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222510701 880527424 /nfs/dbraw/zinc/52/74/24/880527424.db2.gz DTVAKUYDNLADLW-HOTGVXAUSA-N 2 1 304.825 1.737 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001381213339 881286585 /nfs/dbraw/zinc/28/65/85/881286585.db2.gz FWIQPLPRNQPVJM-JSGCOSHPSA-N 2 1 324.856 1.991 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCOCC)CC1 ZINC001227849015 883200928 /nfs/dbraw/zinc/20/09/28/883200928.db2.gz ICAMBCDWLGFDJP-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCOCC)CC1 ZINC001227849015 883200945 /nfs/dbraw/zinc/20/09/45/883200945.db2.gz ICAMBCDWLGFDJP-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001227877617 883210467 /nfs/dbraw/zinc/21/04/67/883210467.db2.gz UXIUXLJGBGHWGW-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215809 884378383 /nfs/dbraw/zinc/37/83/83/884378383.db2.gz ZDLVHYIJXVRZLM-BRWVUGGUSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215809 884378391 /nfs/dbraw/zinc/37/83/91/884378391.db2.gz ZDLVHYIJXVRZLM-BRWVUGGUSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001230614054 884652739 /nfs/dbraw/zinc/65/27/39/884652739.db2.gz VLRWBOHESYCNOP-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339760 888568018 /nfs/dbraw/zinc/56/80/18/888568018.db2.gz YNSAIETZIAXYKC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339760 888568024 /nfs/dbraw/zinc/56/80/24/888568024.db2.gz YNSAIETZIAXYKC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001235339760 888568030 /nfs/dbraw/zinc/56/80/30/888568030.db2.gz YNSAIETZIAXYKC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@H+]1C(C)C ZINC001235339760 888568041 /nfs/dbraw/zinc/56/80/41/888568041.db2.gz YNSAIETZIAXYKC-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001278169984 889943735 /nfs/dbraw/zinc/94/37/35/889943735.db2.gz VKYMEUBHXXODRQ-NVXWUHKLSA-N 2 1 321.465 1.042 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001366851914 895132769 /nfs/dbraw/zinc/13/27/69/895132769.db2.gz LCMNNTBWYKSVIE-UONOGXRCSA-N 2 1 301.862 1.907 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001367837352 897970855 /nfs/dbraw/zinc/97/08/55/897970855.db2.gz QKWNIZAURHCZQF-YOEHRIQHSA-N 2 1 316.449 1.835 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001264586373 901197578 /nfs/dbraw/zinc/19/75/78/901197578.db2.gz OUOYRAHOFFSKHS-DJIMGWMZSA-N 2 1 305.466 1.567 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC#CCOC)C1 ZINC001264683352 901281563 /nfs/dbraw/zinc/28/15/63/901281563.db2.gz BFZFRUXVEGHGBM-KRWDZBQOSA-N 2 1 323.481 1.339 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265316672 901873387 /nfs/dbraw/zinc/87/33/87/901873387.db2.gz AGRCWOJEVBBADA-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001370015294 902390414 /nfs/dbraw/zinc/39/04/14/902390414.db2.gz IPMFCVNAFXBBTG-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001265987172 902714052 /nfs/dbraw/zinc/71/40/52/902714052.db2.gz UXSBFNVLVFMMNY-MJQCEFOHSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001265987172 902714064 /nfs/dbraw/zinc/71/40/64/902714064.db2.gz UXSBFNVLVFMMNY-MJQCEFOHSA-N 2 1 309.841 1.275 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266207201 903109058 /nfs/dbraw/zinc/10/90/58/903109058.db2.gz IXSHVPIUWPHAIZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266207201 903109067 /nfs/dbraw/zinc/10/90/67/903109067.db2.gz IXSHVPIUWPHAIZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266207201 903109076 /nfs/dbraw/zinc/10/90/76/903109076.db2.gz IXSHVPIUWPHAIZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001266207201 903109084 /nfs/dbraw/zinc/10/90/84/903109084.db2.gz IXSHVPIUWPHAIZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001279511755 903297628 /nfs/dbraw/zinc/29/76/28/903297628.db2.gz SLEVJNZETLMHDT-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001279511755 903297636 /nfs/dbraw/zinc/29/76/36/903297636.db2.gz SLEVJNZETLMHDT-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001279511755 903297643 /nfs/dbraw/zinc/29/76/43/903297643.db2.gz SLEVJNZETLMHDT-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)c(F)c1)C(=O)CC[NH+](C)C ZINC001392302359 903821672 /nfs/dbraw/zinc/82/16/72/903821672.db2.gz GRUYBYNNPKWFAW-UHFFFAOYSA-N 2 1 320.412 1.539 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001280966134 904251452 /nfs/dbraw/zinc/25/14/52/904251452.db2.gz AVRRPKBAQPKONR-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC001281210957 904568808 /nfs/dbraw/zinc/56/88/08/904568808.db2.gz AIMWDHORVAJMRJ-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001392615302 904618399 /nfs/dbraw/zinc/61/83/99/904618399.db2.gz SAUHENLAADACJB-JSGCOSHPSA-N 2 1 318.396 1.243 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001392615302 904618407 /nfs/dbraw/zinc/61/84/07/904618407.db2.gz SAUHENLAADACJB-JSGCOSHPSA-N 2 1 318.396 1.243 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]cn2)C(C)(C)C1 ZINC001282820754 906068845 /nfs/dbraw/zinc/06/88/45/906068845.db2.gz MMWXCRLNOZQINW-UKRRQHHQSA-N 2 1 302.422 1.438 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001282944710 906301361 /nfs/dbraw/zinc/30/13/61/906301361.db2.gz AYAKWHNKMIPCMC-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC#CCOC)CC[N@H+]1C ZINC001283176549 906811943 /nfs/dbraw/zinc/81/19/43/906811943.db2.gz HVAREYCVAJQENZ-YESZJQIVSA-N 2 1 323.481 1.241 20 30 DDEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001283471266 907406734 /nfs/dbraw/zinc/40/67/34/907406734.db2.gz KVFMVIUYNHXUPV-SJORKVTESA-N 2 1 321.465 1.139 20 30 DDEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001372725705 908066805 /nfs/dbraw/zinc/06/68/05/908066805.db2.gz FWYHXXOUEIJGKO-CYBMUJFWSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001372725705 908066820 /nfs/dbraw/zinc/06/68/20/908066820.db2.gz FWYHXXOUEIJGKO-CYBMUJFWSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372725705 908066833 /nfs/dbraw/zinc/06/68/33/908066833.db2.gz FWYHXXOUEIJGKO-CYBMUJFWSA-N 2 1 301.862 1.909 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372725705 908066846 /nfs/dbraw/zinc/06/68/46/908066846.db2.gz FWYHXXOUEIJGKO-CYBMUJFWSA-N 2 1 301.862 1.909 20 30 DDEDMP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2)[NH+](C)C ZINC001284067105 908419673 /nfs/dbraw/zinc/41/96/73/908419673.db2.gz KGVHXWLYIAGESC-LZLYRXPVSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1C)Cc1ccccc1 ZINC001284152039 908554517 /nfs/dbraw/zinc/55/45/17/908554517.db2.gz CDIPDTNEWIGCIG-GOSISDBHSA-N 2 1 324.428 1.532 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001284372044 908902022 /nfs/dbraw/zinc/90/20/22/908902022.db2.gz KRRLSSCRIUGOJL-STQMWFEESA-N 2 1 321.387 1.739 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C[NH+]1CCCC1 ZINC001375155639 915133588 /nfs/dbraw/zinc/13/35/88/915133588.db2.gz VBAYVTQGJQHCRU-OAHLLOKOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001377867495 923280935 /nfs/dbraw/zinc/28/09/35/923280935.db2.gz GNLMYKIQFIUPHO-QWHCGFSZSA-N 2 1 322.478 1.944 20 30 DDEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000047977093 352518719 /nfs/dbraw/zinc/51/87/19/352518719.db2.gz MGCHVEVCOWRSDT-SFHVURJKSA-N 2 1 320.481 1.849 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000591723823 355372108 /nfs/dbraw/zinc/37/21/08/355372108.db2.gz BKHNXEBKMDCXQS-QGZVFWFLSA-N 2 1 315.417 1.514 20 30 DDEDMP N#Cc1ccc(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000595523486 356532898 /nfs/dbraw/zinc/53/28/98/356532898.db2.gz KDGICYSEKKAOJM-UHFFFAOYSA-N 2 1 313.445 1.927 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C#N)c1 ZINC000596450723 356883858 /nfs/dbraw/zinc/88/38/58/356883858.db2.gz UUNIGUOBFGNFQQ-AWEZNQCLSA-N 2 1 317.437 1.952 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C#N)c1 ZINC000596450723 356883860 /nfs/dbraw/zinc/88/38/60/356883860.db2.gz UUNIGUOBFGNFQQ-AWEZNQCLSA-N 2 1 317.437 1.952 20 30 DDEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599300859 357883183 /nfs/dbraw/zinc/88/31/83/357883183.db2.gz YANPVHPSMOWRIB-IRXDYDNUSA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599300859 357883185 /nfs/dbraw/zinc/88/31/85/357883185.db2.gz YANPVHPSMOWRIB-IRXDYDNUSA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599300859 357883186 /nfs/dbraw/zinc/88/31/86/357883186.db2.gz YANPVHPSMOWRIB-IRXDYDNUSA-N 2 1 323.481 1.864 20 30 DDEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600717417 358293713 /nfs/dbraw/zinc/29/37/13/358293713.db2.gz ADIUNODUHZTZJV-INIZCTEOSA-N 2 1 314.389 1.483 20 30 DDEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329955430 223054080 /nfs/dbraw/zinc/05/40/80/223054080.db2.gz OIMWTRJEEPBWJY-QWHCGFSZSA-N 2 1 303.410 1.186 20 30 DDEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329955430 223054081 /nfs/dbraw/zinc/05/40/81/223054081.db2.gz OIMWTRJEEPBWJY-QWHCGFSZSA-N 2 1 303.410 1.186 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876053 407356408 /nfs/dbraw/zinc/35/64/08/407356408.db2.gz OVKVMGLFBPFZIS-CQSZACIVSA-N 2 1 317.437 1.435 20 30 DDEDMP COc1ccc(CCNC(=[NH2+])NCC2=CC[N@@H+](C)CC2)cc1 ZINC000271714814 407729240 /nfs/dbraw/zinc/72/92/40/407729240.db2.gz BSXBFWYFBNLOSW-UHFFFAOYSA-N 2 1 302.422 1.404 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000131712492 407750664 /nfs/dbraw/zinc/75/06/64/407750664.db2.gz SOLBMKATURYZAV-INIZCTEOSA-N 2 1 306.454 1.556 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000171907786 407794255 /nfs/dbraw/zinc/79/42/55/407794255.db2.gz DJHWLEOZYVCEQL-MRXNPFEDSA-N 2 1 308.470 1.810 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267336196 407840420 /nfs/dbraw/zinc/84/04/20/407840420.db2.gz RMEXUQVJXVKBCV-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267336196 407840424 /nfs/dbraw/zinc/84/04/24/407840424.db2.gz RMEXUQVJXVKBCV-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267336196 407840428 /nfs/dbraw/zinc/84/04/28/407840428.db2.gz RMEXUQVJXVKBCV-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[NH+](CC)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000267336196 407840432 /nfs/dbraw/zinc/84/04/32/407840432.db2.gz RMEXUQVJXVKBCV-SJLPKXTDSA-N 2 1 313.445 1.721 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cccc(C)c1 ZINC000268988607 408221956 /nfs/dbraw/zinc/22/19/56/408221956.db2.gz UDLJYHGIRHDBGD-HOTGVXAUSA-N 2 1 304.438 1.417 20 30 DDEDMP C[NH+]=C(NCc1nc(C)cs1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158552169 408346669 /nfs/dbraw/zinc/34/66/69/408346669.db2.gz KBJUJFMMSITLNX-WCQYABFASA-N 2 1 309.483 1.845 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159827500 408439096 /nfs/dbraw/zinc/43/90/96/408439096.db2.gz CQVROKGWJRJXPU-UHFFFAOYSA-N 2 1 308.470 1.764 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)cn1 ZINC000161468276 408604411 /nfs/dbraw/zinc/60/44/11/408604411.db2.gz ZFGRURGHOJBKPM-CQSZACIVSA-N 2 1 314.393 1.159 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)cn1 ZINC000161468099 408605100 /nfs/dbraw/zinc/60/51/00/408605100.db2.gz ZFGRURGHOJBKPM-AWEZNQCLSA-N 2 1 314.393 1.159 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cc(C)cc(C)c1 ZINC000282518858 409056850 /nfs/dbraw/zinc/05/68/50/409056850.db2.gz GHHICAUUBAHSOV-SJORKVTESA-N 2 1 318.465 1.725 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC000289466251 409278141 /nfs/dbraw/zinc/27/81/41/409278141.db2.gz OYXFDQPAJKOLQA-KRWDZBQOSA-N 2 1 317.481 1.745 20 30 DDEDMP CC(C)(O)[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000351181615 410044006 /nfs/dbraw/zinc/04/40/06/410044006.db2.gz IXVKSACDBVNVPE-HZPDHXFCSA-N 2 1 308.466 1.460 20 30 DDEDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000344161595 410999996 /nfs/dbraw/zinc/99/99/96/410999996.db2.gz GSWCDUXIENIXKI-PBHICJAKSA-N 2 1 314.433 1.796 20 30 DDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652360740 422977837 /nfs/dbraw/zinc/97/78/37/422977837.db2.gz PFJKOBOBMFCEIU-BBWFWOEESA-N 2 1 321.465 1.548 20 30 DDEDMP C=CC[N@H+](CCCC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000647881555 423094449 /nfs/dbraw/zinc/09/44/49/423094449.db2.gz IWEYWINFYFFIEK-HNNXBMFYSA-N 2 1 300.468 1.441 20 30 DDEDMP C=CC[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000647881555 423094455 /nfs/dbraw/zinc/09/44/55/423094455.db2.gz IWEYWINFYFFIEK-HNNXBMFYSA-N 2 1 300.468 1.441 20 30 DDEDMP C=CCC[C@H](O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000246029018 222219812 /nfs/dbraw/zinc/21/98/12/222219812.db2.gz PGSCYEUJSVPQOI-KSZLIROESA-N 2 1 309.498 1.804 20 30 DDEDMP CCc1cnc(CNC(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)=[NH+]C)s1 ZINC000261994386 222267639 /nfs/dbraw/zinc/26/76/39/222267639.db2.gz SBSDPVDEPKWWMM-BXUZGUMPSA-N 2 1 321.494 1.853 20 30 DDEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367502829 418606934 /nfs/dbraw/zinc/60/69/34/418606934.db2.gz MCWCNTHFGLVJOB-QGZVFWFLSA-N 2 1 320.481 1.946 20 30 DDEDMP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000262845059 222297644 /nfs/dbraw/zinc/29/76/44/222297644.db2.gz VNPALNJDIMCTNF-HOCLYGCPSA-N 2 1 308.470 1.819 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COC2(CCCCC2)O1 ZINC000263163133 222304848 /nfs/dbraw/zinc/30/48/48/222304848.db2.gz PDYOAIPAEKEHEX-GJZGRUSLSA-N 2 1 324.469 1.451 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1OC ZINC000264069248 222313220 /nfs/dbraw/zinc/31/32/20/222313220.db2.gz CSKBQSSTOQOIIC-ZFWWWQNUSA-N 2 1 320.437 1.117 20 30 DDEDMP CCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000264108536 222320157 /nfs/dbraw/zinc/32/01/57/222320157.db2.gz QDGHBSXVYQPASP-CQSZACIVSA-N 2 1 304.438 1.722 20 30 DDEDMP CCCNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000264108536 222320160 /nfs/dbraw/zinc/32/01/60/222320160.db2.gz QDGHBSXVYQPASP-CQSZACIVSA-N 2 1 304.438 1.722 20 30 DDEDMP CN1CC[N@@H+](CCCNC(=[NH2+])NC2CC2)[C@@H](c2ccccc2)C1 ZINC000264116362 222320709 /nfs/dbraw/zinc/32/07/09/222320709.db2.gz SRLAPQNMDOSNDA-QGZVFWFLSA-N 2 1 315.465 1.432 20 30 DDEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])NC2CC2)[C@@H](c2ccccc2)C1 ZINC000264116362 222320713 /nfs/dbraw/zinc/32/07/13/222320713.db2.gz SRLAPQNMDOSNDA-QGZVFWFLSA-N 2 1 315.465 1.432 20 30 DDEDMP C[N@H+]1CCN(CCCNC(=[NH2+])NC2CC2)[C@@H](c2ccccc2)C1 ZINC000264116362 222320715 /nfs/dbraw/zinc/32/07/15/222320715.db2.gz SRLAPQNMDOSNDA-QGZVFWFLSA-N 2 1 315.465 1.432 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369075178 418727999 /nfs/dbraw/zinc/72/79/99/418727999.db2.gz ORYJCLVYAVWOFV-CVEARBPZSA-N 2 1 306.454 1.563 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@H](CO)[C@H]1CC ZINC000451247669 420595397 /nfs/dbraw/zinc/59/53/97/420595397.db2.gz AABGAWBQEWGEQL-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[N@H+]1CC#CC[NH+]1CC[C@H](CO)[C@H]1CC ZINC000451247669 420595400 /nfs/dbraw/zinc/59/54/00/420595400.db2.gz AABGAWBQEWGEQL-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[N@@H+]1CC#CC[NH+]1CC[C@H](CO)[C@H]1CC ZINC000451247669 420595404 /nfs/dbraw/zinc/59/54/04/420595404.db2.gz AABGAWBQEWGEQL-XMTFNYHQSA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000566615766 421607215 /nfs/dbraw/zinc/60/72/15/421607215.db2.gz XSTQJGOJVBHCSM-OAHLLOKOSA-N 2 1 308.397 1.805 20 30 DDEDMP C=CC[C@]1(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCC[NH2+]1 ZINC000662671320 424730056 /nfs/dbraw/zinc/73/00/56/424730056.db2.gz NEFLGMJEWNNYEH-IIDMSEBBSA-N 2 1 323.481 1.689 20 30 DDEDMP COC[C@H](C)NC(=[NH2+])NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187056467 293017793 /nfs/dbraw/zinc/01/77/93/293017793.db2.gz GGXGKQZIDSUIID-WMLDXEAASA-N 2 1 318.465 1.836 20 30 DDEDMP CC[N@@H+](C)C[C@H](O)CN1CCCN(c2ccccc2C#N)CC1 ZINC000573309907 308236157 /nfs/dbraw/zinc/23/61/57/308236157.db2.gz HVLJPQGDUCJJHP-KRWDZBQOSA-N 2 1 316.449 1.383 20 30 DDEDMP C=CCCO[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000520655534 336002274 /nfs/dbraw/zinc/00/22/74/336002274.db2.gz MTBIFDPQXCNYJS-AWEZNQCLSA-N 2 1 318.421 1.753 20 30 DDEDMP CC#CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000681538574 486448858 /nfs/dbraw/zinc/44/88/58/486448858.db2.gz BAQLAEZSOPOCCP-INIZCTEOSA-N 2 1 308.470 1.457 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CC1 ZINC000345715163 526431455 /nfs/dbraw/zinc/43/14/55/526431455.db2.gz MABGHFYNENGMCQ-GJZGRUSLSA-N 2 1 308.470 1.761 20 30 DDEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000972340782 695221526 /nfs/dbraw/zinc/22/15/26/695221526.db2.gz UAUGGAUATSTNCX-AWEZNQCLSA-N 2 1 316.405 1.050 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000972340782 695221527 /nfs/dbraw/zinc/22/15/27/695221527.db2.gz UAUGGAUATSTNCX-AWEZNQCLSA-N 2 1 316.405 1.050 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972414056 695242863 /nfs/dbraw/zinc/24/28/63/695242863.db2.gz SUWANIHWXOGARQ-WMZOPIPTSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761254 695729186 /nfs/dbraw/zinc/72/91/86/695729186.db2.gz UIJZAMOORBWLST-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761254 695729187 /nfs/dbraw/zinc/72/91/87/695729187.db2.gz UIJZAMOORBWLST-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761254 695729189 /nfs/dbraw/zinc/72/91/89/695729189.db2.gz UIJZAMOORBWLST-SJORKVTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978612256 696423605 /nfs/dbraw/zinc/42/36/05/696423605.db2.gz FPVXWRKTAYTYHA-XLAORIBOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978612256 696423607 /nfs/dbraw/zinc/42/36/07/696423607.db2.gz FPVXWRKTAYTYHA-XLAORIBOSA-N 2 1 319.493 1.979 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978612256 696423608 /nfs/dbraw/zinc/42/36/08/696423608.db2.gz FPVXWRKTAYTYHA-XLAORIBOSA-N 2 1 319.493 1.979 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000978905323 696474107 /nfs/dbraw/zinc/47/41/07/696474107.db2.gz JPCSHYMEDVRBDE-OSYLJGHBSA-N 2 1 303.450 1.034 20 30 DDEDMP C=CC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957319 696984221 /nfs/dbraw/zinc/98/42/21/696984221.db2.gz IGBSOKYIXHMGFP-KRWDZBQOSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957319 696984222 /nfs/dbraw/zinc/98/42/22/696984222.db2.gz IGBSOKYIXHMGFP-KRWDZBQOSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CC[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957319 696984224 /nfs/dbraw/zinc/98/42/24/696984224.db2.gz IGBSOKYIXHMGFP-KRWDZBQOSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957319 696984225 /nfs/dbraw/zinc/98/42/25/696984225.db2.gz IGBSOKYIXHMGFP-KRWDZBQOSA-N 2 1 311.445 1.919 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC000982062965 697019482 /nfs/dbraw/zinc/01/94/82/697019482.db2.gz FWDPVOGDXCCMOR-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062965 697019485 /nfs/dbraw/zinc/01/94/85/697019485.db2.gz FWDPVOGDXCCMOR-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC000982062965 697019489 /nfs/dbraw/zinc/01/94/89/697019489.db2.gz FWDPVOGDXCCMOR-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC000982157472 697045130 /nfs/dbraw/zinc/04/51/30/697045130.db2.gz SQQWSKMGHZMYIS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC000982157472 697045132 /nfs/dbraw/zinc/04/51/32/697045132.db2.gz SQQWSKMGHZMYIS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157472 697045134 /nfs/dbraw/zinc/04/51/34/697045134.db2.gz SQQWSKMGHZMYIS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC000982157472 697045136 /nfs/dbraw/zinc/04/51/36/697045136.db2.gz SQQWSKMGHZMYIS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982806222 697180964 /nfs/dbraw/zinc/18/09/64/697180964.db2.gz WHLDWCBGJGKNHL-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982806222 697180966 /nfs/dbraw/zinc/18/09/66/697180966.db2.gz WHLDWCBGJGKNHL-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@]2(C)C1 ZINC000982806222 697180968 /nfs/dbraw/zinc/18/09/68/697180968.db2.gz WHLDWCBGJGKNHL-RYQLBKOJSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000985432824 697510394 /nfs/dbraw/zinc/51/03/94/697510394.db2.gz HWQGIBBSTZKEOR-UHFFFAOYSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@@H]1C ZINC000987103155 697993886 /nfs/dbraw/zinc/99/38/86/697993886.db2.gz DWGKMMGQSMURSH-CABCVRRESA-N 2 1 302.422 1.609 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)cc2F)C1 ZINC000779652458 698448831 /nfs/dbraw/zinc/44/88/31/698448831.db2.gz UBPLCPPEMGHBGF-OAHLLOKOSA-N 2 1 320.368 1.805 20 30 DDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)cc2F)C1 ZINC000779652458 698448833 /nfs/dbraw/zinc/44/88/33/698448833.db2.gz UBPLCPPEMGHBGF-OAHLLOKOSA-N 2 1 320.368 1.805 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(F)cc2C#N)C1 ZINC000779653284 698449236 /nfs/dbraw/zinc/44/92/36/698449236.db2.gz WPULINBYDRDFBZ-HNNXBMFYSA-N 2 1 320.368 1.805 20 30 DDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(F)cc2C#N)C1 ZINC000779653284 698449238 /nfs/dbraw/zinc/44/92/38/698449238.db2.gz WPULINBYDRDFBZ-HNNXBMFYSA-N 2 1 320.368 1.805 20 30 DDEDMP CCN1CC[NH+](Cc2ccc(CNC3=[NH+]C[C@H](C)N3)cc2)CC1 ZINC000262475862 698471112 /nfs/dbraw/zinc/47/11/12/698471112.db2.gz BXYVYWITIOBIFP-HNNXBMFYSA-N 2 1 315.465 1.261 20 30 DDEDMP C[C@@H]1CN(C(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000262502090 698472266 /nfs/dbraw/zinc/47/22/66/698472266.db2.gz YQKSHCRMHIJFAN-KGLIPLIRSA-N 2 1 306.410 1.452 20 30 DDEDMP CN1CCC(CNC(=[NH2+])NC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000262661688 698477481 /nfs/dbraw/zinc/47/74/81/698477481.db2.gz LVCUAXZBPKXSSJ-UHFFFAOYSA-N 2 1 321.513 1.784 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000304757778 698624311 /nfs/dbraw/zinc/62/43/11/698624311.db2.gz PGUKZAFMVGHPPU-AWEZNQCLSA-N 2 1 320.437 1.450 20 30 DDEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CCCCC1 ZINC000305813374 698657633 /nfs/dbraw/zinc/65/76/33/698657633.db2.gz KSZKQCAFLTZACI-KRWDZBQOSA-N 2 1 316.449 1.554 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000991071656 699222047 /nfs/dbraw/zinc/22/20/47/699222047.db2.gz ZCWKWZURRNUAHB-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991071656 699222049 /nfs/dbraw/zinc/22/20/49/699222049.db2.gz ZCWKWZURRNUAHB-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000991071656 699222052 /nfs/dbraw/zinc/22/20/52/699222052.db2.gz ZCWKWZURRNUAHB-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879575323 706724320 /nfs/dbraw/zinc/72/43/20/706724320.db2.gz JBHLVLWMOXBJCD-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879575323 706724322 /nfs/dbraw/zinc/72/43/22/706724322.db2.gz JBHLVLWMOXBJCD-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879575323 706724323 /nfs/dbraw/zinc/72/43/23/706724323.db2.gz JBHLVLWMOXBJCD-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879575323 706724325 /nfs/dbraw/zinc/72/43/25/706724325.db2.gz JBHLVLWMOXBJCD-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000879577005 706724821 /nfs/dbraw/zinc/72/48/21/706724821.db2.gz ZJDDMYGAHLVPST-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000879577005 706724824 /nfs/dbraw/zinc/72/48/24/706724824.db2.gz ZJDDMYGAHLVPST-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000879577005 706724827 /nfs/dbraw/zinc/72/48/27/706724827.db2.gz ZJDDMYGAHLVPST-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C#N)c3)CC[C@@H]21 ZINC000879577005 706724830 /nfs/dbraw/zinc/72/48/30/706724830.db2.gz ZJDDMYGAHLVPST-RDJZCZTQSA-N 2 1 312.417 1.913 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000846593616 703300960 /nfs/dbraw/zinc/30/09/60/703300960.db2.gz QDEOXCHTURRARN-GOSISDBHSA-N 2 1 301.434 1.885 20 30 DDEDMP CN(C)CC[N@H+](C)CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000849082151 703616612 /nfs/dbraw/zinc/61/66/12/703616612.db2.gz XFLMTGQNLRCWOP-UHFFFAOYSA-N 2 1 319.497 1.577 20 30 DDEDMP CN(C)CC[N@@H+](C)CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000849082151 703616614 /nfs/dbraw/zinc/61/66/14/703616614.db2.gz XFLMTGQNLRCWOP-UHFFFAOYSA-N 2 1 319.497 1.577 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000852889482 704162548 /nfs/dbraw/zinc/16/25/48/704162548.db2.gz RJEVXVHNPHZFFK-SJLPKXTDSA-N 2 1 315.461 1.465 20 30 DDEDMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876739739 705850601 /nfs/dbraw/zinc/85/06/01/705850601.db2.gz ICDLDRZSXZFEAK-PBHICJAKSA-N 2 1 312.417 1.203 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cn1 ZINC000863552105 705955828 /nfs/dbraw/zinc/95/58/28/705955828.db2.gz VUARLIVGQHTLTL-HNNXBMFYSA-N 2 1 311.389 1.720 20 30 DDEDMP CC(C)(O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147342 706892374 /nfs/dbraw/zinc/89/23/74/706892374.db2.gz COZIZQIQKHJFCZ-IYBDPMFKSA-N 2 1 308.466 1.175 20 30 DDEDMP CC(C)(O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147342 706892375 /nfs/dbraw/zinc/89/23/75/706892375.db2.gz COZIZQIQKHJFCZ-IYBDPMFKSA-N 2 1 308.466 1.175 20 30 DDEDMP CC(C)(O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147342 706892377 /nfs/dbraw/zinc/89/23/77/706892377.db2.gz COZIZQIQKHJFCZ-IYBDPMFKSA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000883436770 708001542 /nfs/dbraw/zinc/00/15/42/708001542.db2.gz AJAJFOIBDXVQAT-HUUCEWRRSA-N 2 1 303.454 1.963 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000884087148 708132905 /nfs/dbraw/zinc/13/29/05/708132905.db2.gz UKNATJZFYMPXIO-MRXNPFEDSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000884087148 708132908 /nfs/dbraw/zinc/13/29/08/708132908.db2.gz UKNATJZFYMPXIO-MRXNPFEDSA-N 2 1 320.481 1.646 20 30 DDEDMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884227734 708199915 /nfs/dbraw/zinc/19/99/15/708199915.db2.gz XGNLNNICKCUXNV-NDUQDZPOSA-N 2 1 318.465 1.459 20 30 DDEDMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884227731 708200257 /nfs/dbraw/zinc/20/02/57/708200257.db2.gz XGNLNNICKCUXNV-BNQMIIOLSA-N 2 1 318.465 1.459 20 30 DDEDMP C#CCN1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000886664285 708809523 /nfs/dbraw/zinc/80/95/23/708809523.db2.gz IBGDXZZFYOODIL-ROUUACIJSA-N 2 1 305.466 1.317 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000890367866 709841093 /nfs/dbraw/zinc/84/10/93/709841093.db2.gz WSQYOMSPZGAMJJ-NVXWUHKLSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000890367866 709841098 /nfs/dbraw/zinc/84/10/98/709841098.db2.gz WSQYOMSPZGAMJJ-NVXWUHKLSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000891921231 710328068 /nfs/dbraw/zinc/32/80/68/710328068.db2.gz KZTZIYJXPAXZEI-KRWDZBQOSA-N 2 1 308.470 1.348 20 30 DDEDMP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1CC1CC[NH+](C)CC1 ZINC000892223563 710398177 /nfs/dbraw/zinc/39/81/77/710398177.db2.gz JWAFSCXIRKXBRI-AWEZNQCLSA-N 2 1 314.437 1.201 20 30 DDEDMP CCCC[NH+]=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC(C)(C)C ZINC000912496935 711353019 /nfs/dbraw/zinc/35/30/19/711353019.db2.gz IBLJSWCEOSGGLZ-LSDHHAIUSA-N 2 1 310.486 1.983 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCC(C)(C)C2)C1 ZINC000896490407 711732405 /nfs/dbraw/zinc/73/24/05/711732405.db2.gz SSZSHGUHUKWTEL-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCC(C)(C)C2)C1 ZINC000896490407 711732407 /nfs/dbraw/zinc/73/24/07/711732407.db2.gz SSZSHGUHUKWTEL-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000896490407 711732409 /nfs/dbraw/zinc/73/24/09/711732409.db2.gz SSZSHGUHUKWTEL-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000896490407 711732411 /nfs/dbraw/zinc/73/24/11/711732411.db2.gz SSZSHGUHUKWTEL-OAHLLOKOSA-N 2 1 306.454 1.115 20 30 DDEDMP CN(C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1cc(C[NH3+])ccn1 ZINC000906227558 712267635 /nfs/dbraw/zinc/26/76/35/712267635.db2.gz NRUOFYYZMIDSDO-KRWDZBQOSA-N 2 1 321.384 1.262 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000920259932 713658762 /nfs/dbraw/zinc/65/87/62/713658762.db2.gz BVBGJWGMLSAQDH-UHFFFAOYSA-N 2 1 317.437 1.369 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000923327980 714315581 /nfs/dbraw/zinc/31/55/81/714315581.db2.gz QJOYJODTMKNTDC-MRXNPFEDSA-N 2 1 315.417 1.373 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000923573622 714412196 /nfs/dbraw/zinc/41/21/96/714412196.db2.gz RKIHOWISFPVKGR-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000923573622 714412199 /nfs/dbraw/zinc/41/21/99/714412199.db2.gz RKIHOWISFPVKGR-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000923573622 714412202 /nfs/dbraw/zinc/41/22/02/714412202.db2.gz RKIHOWISFPVKGR-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000923573622 714412204 /nfs/dbraw/zinc/41/22/04/714412204.db2.gz RKIHOWISFPVKGR-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000923573622 714412208 /nfs/dbraw/zinc/41/22/08/714412208.db2.gz RKIHOWISFPVKGR-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC[C@@H](C)F)CC2)CC1 ZINC000957776288 716036692 /nfs/dbraw/zinc/03/66/92/716036692.db2.gz COBRAQMCBFTJEP-OAHLLOKOSA-N 2 1 309.429 1.224 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2sccc2C[NH+](C)C)[C@H](O)C1 ZINC000958117833 716339458 /nfs/dbraw/zinc/33/94/58/716339458.db2.gz WUDPPAACUJXZFH-ZIAGYGMSSA-N 2 1 323.462 1.018 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960713178 716665295 /nfs/dbraw/zinc/66/52/95/716665295.db2.gz NHQHLDBNBAALHZ-FVQHAEBGSA-N 2 1 310.401 1.879 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000961172001 716848194 /nfs/dbraw/zinc/84/81/94/716848194.db2.gz VGVKPMSHMGRQMK-JKSUJKDBSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961172001 716848199 /nfs/dbraw/zinc/84/81/99/716848199.db2.gz VGVKPMSHMGRQMK-JKSUJKDBSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961172001 716848202 /nfs/dbraw/zinc/84/82/02/716848202.db2.gz VGVKPMSHMGRQMK-JKSUJKDBSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940744184 716940730 /nfs/dbraw/zinc/94/07/30/716940730.db2.gz HGGHYQLRQHZOGF-DLBZAZTESA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000964423491 717257272 /nfs/dbraw/zinc/25/72/72/717257272.db2.gz WYDGZPIGFSOIQH-GPANFISMSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000964423491 717257274 /nfs/dbraw/zinc/25/72/74/717257274.db2.gz WYDGZPIGFSOIQH-GPANFISMSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962162620 717331642 /nfs/dbraw/zinc/33/16/42/717331642.db2.gz FSVAUBWIDIGMGE-FVQHAEBGSA-N 2 1 323.400 1.503 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000962162620 717331647 /nfs/dbraw/zinc/33/16/47/717331647.db2.gz FSVAUBWIDIGMGE-FVQHAEBGSA-N 2 1 323.400 1.503 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000943287920 718067288 /nfs/dbraw/zinc/06/72/88/718067288.db2.gz LKLFIFZPKFUGBY-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967086136 718761425 /nfs/dbraw/zinc/76/14/25/718761425.db2.gz LPKBLGKBKLYAQP-GUYCJALGSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000967086136 718761427 /nfs/dbraw/zinc/76/14/27/718761427.db2.gz LPKBLGKBKLYAQP-GUYCJALGSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946627777 718858220 /nfs/dbraw/zinc/85/82/20/718858220.db2.gz DYNAXMVGMDNLPF-BBWFWOEESA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]2CC1 ZINC000946627777 718858225 /nfs/dbraw/zinc/85/82/25/718858225.db2.gz DYNAXMVGMDNLPF-BBWFWOEESA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]2CC1 ZINC000946627777 718858230 /nfs/dbraw/zinc/85/82/30/718858230.db2.gz DYNAXMVGMDNLPF-BBWFWOEESA-N 2 1 321.440 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]2CC1 ZINC000946627777 718858235 /nfs/dbraw/zinc/85/82/35/718858235.db2.gz DYNAXMVGMDNLPF-BBWFWOEESA-N 2 1 321.440 1.224 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824420 718919290 /nfs/dbraw/zinc/91/92/90/718919290.db2.gz MDZYYDNYNNTQPT-CALCHBBNSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946824420 718919291 /nfs/dbraw/zinc/91/92/91/718919291.db2.gz MDZYYDNYNNTQPT-CALCHBBNSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946856146 718927835 /nfs/dbraw/zinc/92/78/35/718927835.db2.gz CHUPXRMMPOWMKV-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856146 718927837 /nfs/dbraw/zinc/92/78/37/718927837.db2.gz CHUPXRMMPOWMKV-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946856146 718927838 /nfs/dbraw/zinc/92/78/38/718927838.db2.gz CHUPXRMMPOWMKV-YESZJQIVSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C(C)C)C[C@H]1C ZINC000947771452 719265660 /nfs/dbraw/zinc/26/56/60/719265660.db2.gz LSIIYLJZBOYCEO-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771452 719265662 /nfs/dbraw/zinc/26/56/62/719265662.db2.gz LSIIYLJZBOYCEO-CVEARBPZSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)[C@@H](C)C2)CC1 ZINC000948071118 719349805 /nfs/dbraw/zinc/34/98/05/719349805.db2.gz VKVRBTOMDGONRF-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620661 719593568 /nfs/dbraw/zinc/59/35/68/719593568.db2.gz HCGYTUGSIPNDMS-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC000948620661 719593573 /nfs/dbraw/zinc/59/35/73/719593573.db2.gz HCGYTUGSIPNDMS-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968858494 719827716 /nfs/dbraw/zinc/82/77/16/719827716.db2.gz GSBVDPAYARMNDK-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887731 719845507 /nfs/dbraw/zinc/84/55/07/719845507.db2.gz KTMMUSJFZUVBDK-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000968887731 719845511 /nfs/dbraw/zinc/84/55/11/719845511.db2.gz KTMMUSJFZUVBDK-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001023557254 735308507 /nfs/dbraw/zinc/30/85/07/735308507.db2.gz VAJYUAYVSLLQEP-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001023557254 735308512 /nfs/dbraw/zinc/30/85/12/735308512.db2.gz VAJYUAYVSLLQEP-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001023703530 735404159 /nfs/dbraw/zinc/40/41/59/735404159.db2.gz MHVSWUJFCOXTJY-MRXNPFEDSA-N 2 1 305.466 1.877 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021692514 733454678 /nfs/dbraw/zinc/45/46/78/733454678.db2.gz ULRCXCCBENWUPQ-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCOCC2)C1 ZINC001021692514 733454680 /nfs/dbraw/zinc/45/46/80/733454680.db2.gz ULRCXCCBENWUPQ-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737523 733497806 /nfs/dbraw/zinc/49/78/06/733497806.db2.gz VDXPZOUXSGQISM-IAGOWNOFSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001167459239 733629740 /nfs/dbraw/zinc/62/97/40/733629740.db2.gz YSVRHCILPSBSRD-UHFFFAOYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001027886929 738774867 /nfs/dbraw/zinc/77/48/67/738774867.db2.gz DIFHQJHVAWSIPR-IAGOWNOFSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289579 782443308 /nfs/dbraw/zinc/44/33/08/782443308.db2.gz YPQMQGFIJNIDHY-ZHIXCNEBSA-N 2 1 321.465 1.299 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289579 782443314 /nfs/dbraw/zinc/44/33/14/782443314.db2.gz YPQMQGFIJNIDHY-ZHIXCNEBSA-N 2 1 321.465 1.299 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@H+]1C)C[C@@H](C)O2 ZINC001098572074 734878081 /nfs/dbraw/zinc/87/80/81/734878081.db2.gz VOYVZIJWYRRJLL-CVEARBPZSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001023447586 735236255 /nfs/dbraw/zinc/23/62/55/735236255.db2.gz QHJUJSVEDQPDOL-JKSUJKDBSA-N 2 1 316.449 1.850 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025268174 736399237 /nfs/dbraw/zinc/39/92/37/736399237.db2.gz WCQISKPSVIBJNF-ROUUACIJSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104682987 736516601 /nfs/dbraw/zinc/51/66/01/736516601.db2.gz DWPGLIDEMZZZRX-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001025630972 736797571 /nfs/dbraw/zinc/79/75/71/736797571.db2.gz XSJBAVLMZFGFQO-FUHWJXTLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC001025781482 736851944 /nfs/dbraw/zinc/85/19/44/736851944.db2.gz FXEMNYBVVJRASC-DMRKSPOLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001025781482 736851949 /nfs/dbraw/zinc/85/19/49/736851949.db2.gz FXEMNYBVVJRASC-DMRKSPOLSA-N 2 1 303.450 1.483 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001025781482 736851952 /nfs/dbraw/zinc/85/19/52/736851952.db2.gz FXEMNYBVVJRASC-DMRKSPOLSA-N 2 1 303.450 1.483 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008764865 738024272 /nfs/dbraw/zinc/02/42/72/738024272.db2.gz DLOMQDBOHDYRCS-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008764865 738024276 /nfs/dbraw/zinc/02/42/76/738024276.db2.gz DLOMQDBOHDYRCS-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001008764865 738024277 /nfs/dbraw/zinc/02/42/77/738024277.db2.gz DLOMQDBOHDYRCS-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001028629463 739805089 /nfs/dbraw/zinc/80/50/89/739805089.db2.gz MVTQQEXOWWGDOB-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001028629463 739805091 /nfs/dbraw/zinc/80/50/91/739805091.db2.gz MVTQQEXOWWGDOB-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629463 739805092 /nfs/dbraw/zinc/80/50/92/739805092.db2.gz MVTQQEXOWWGDOB-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001028629463 739805094 /nfs/dbraw/zinc/80/50/94/739805094.db2.gz MVTQQEXOWWGDOB-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001028896781 740153026 /nfs/dbraw/zinc/15/30/26/740153026.db2.gz YMZJOIJVGXBNCM-CQSZACIVSA-N 2 1 311.389 1.505 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896781 740153029 /nfs/dbraw/zinc/15/30/29/740153029.db2.gz YMZJOIJVGXBNCM-CQSZACIVSA-N 2 1 311.389 1.505 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001028896781 740153031 /nfs/dbraw/zinc/15/30/31/740153031.db2.gz YMZJOIJVGXBNCM-CQSZACIVSA-N 2 1 311.389 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000998101154 751521332 /nfs/dbraw/zinc/52/13/32/751521332.db2.gz GMLIPINLRWACBM-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000998101154 751521334 /nfs/dbraw/zinc/52/13/34/751521334.db2.gz GMLIPINLRWACBM-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000998101154 751521338 /nfs/dbraw/zinc/52/13/38/751521338.db2.gz GMLIPINLRWACBM-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H]1CC ZINC001087593819 740669322 /nfs/dbraw/zinc/66/93/22/740669322.db2.gz XFHNTJWVDXXGGR-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593819 740669325 /nfs/dbraw/zinc/66/93/25/740669325.db2.gz XFHNTJWVDXXGGR-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@H]1CC ZINC001087593819 740669329 /nfs/dbraw/zinc/66/93/29/740669329.db2.gz XFHNTJWVDXXGGR-GVDBMIGSSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985786 740918558 /nfs/dbraw/zinc/91/85/58/740918558.db2.gz DTBLEFKHIJTQBA-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087985786 740918556 /nfs/dbraw/zinc/91/85/56/740918556.db2.gz DTBLEFKHIJTQBA-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985786 740918557 /nfs/dbraw/zinc/91/85/57/740918557.db2.gz DTBLEFKHIJTQBA-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H]2C1 ZINC001088013955 740947160 /nfs/dbraw/zinc/94/71/60/740947160.db2.gz AZBSXHQLHJPNGM-IKGGRYGDSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198502 741479899 /nfs/dbraw/zinc/47/98/99/741479899.db2.gz YRKABVDCGSNYGF-CHWSQXEVSA-N 2 1 319.371 1.330 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cncc3C2)[C@H]1C ZINC001088674851 742070610 /nfs/dbraw/zinc/07/06/10/742070610.db2.gz ZWPXZBHHZIQGNN-YCPHGPKFSA-N 2 1 302.422 1.601 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035706663 751792343 /nfs/dbraw/zinc/79/23/43/751792343.db2.gz NFUADAVUWBZRMT-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525721 743225127 /nfs/dbraw/zinc/22/51/27/743225127.db2.gz SWTYTVQMKGUYCM-YFHUEUNASA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945261 744393682 /nfs/dbraw/zinc/39/36/82/744393682.db2.gz WXUKAEHEEDVYCB-CJNGLKHVSA-N 2 1 311.389 1.646 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088945261 744393685 /nfs/dbraw/zinc/39/36/85/744393685.db2.gz WXUKAEHEEDVYCB-CJNGLKHVSA-N 2 1 311.389 1.646 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171033 744658679 /nfs/dbraw/zinc/65/86/79/744658679.db2.gz KXESJGQEKIWUHD-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171033 744658683 /nfs/dbraw/zinc/65/86/83/744658683.db2.gz KXESJGQEKIWUHD-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992171033 744658686 /nfs/dbraw/zinc/65/86/86/744658686.db2.gz KXESJGQEKIWUHD-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](CC#C)CC3)CCC[C@H]12 ZINC000992503031 744923794 /nfs/dbraw/zinc/92/37/94/744923794.db2.gz CSFLAXGKBUOGBL-HKUYNNGSSA-N 2 1 313.445 1.078 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000992821677 745223430 /nfs/dbraw/zinc/22/34/30/745223430.db2.gz WCHJOBBZTYPHOB-GVDBMIGSSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203731402 745390229 /nfs/dbraw/zinc/39/02/29/745390229.db2.gz OBPOMIDNZXISAZ-LSDHHAIUSA-N 2 1 300.406 1.232 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106244857 745452148 /nfs/dbraw/zinc/45/21/48/745452148.db2.gz WONCQNPFPPACKM-BRWVUGGUSA-N 2 1 307.482 1.834 20 30 DDEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191950927 745655010 /nfs/dbraw/zinc/65/50/10/745655010.db2.gz WDWDOZLOKMJKPB-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191950927 745655013 /nfs/dbraw/zinc/65/50/13/745655013.db2.gz WDWDOZLOKMJKPB-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950927 745655015 /nfs/dbraw/zinc/65/50/15/745655015.db2.gz WDWDOZLOKMJKPB-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191950927 745655018 /nfs/dbraw/zinc/65/50/18/745655018.db2.gz WDWDOZLOKMJKPB-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089336061 745785753 /nfs/dbraw/zinc/78/57/53/745785753.db2.gz RPYMHFBHRHKAJB-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336061 745785758 /nfs/dbraw/zinc/78/57/58/745785758.db2.gz RPYMHFBHRHKAJB-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993684847 746274866 /nfs/dbraw/zinc/27/48/66/746274866.db2.gz PIXCXYLGULQMHG-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001194266229 746326006 /nfs/dbraw/zinc/32/60/06/746326006.db2.gz MLPICMUCQLXLOC-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001194266229 746326011 /nfs/dbraw/zinc/32/60/11/746326011.db2.gz MLPICMUCQLXLOC-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001194266229 746326018 /nfs/dbraw/zinc/32/60/18/746326018.db2.gz MLPICMUCQLXLOC-IRXDYDNUSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701203 746681307 /nfs/dbraw/zinc/68/13/07/746681307.db2.gz KUFVIHWWYWHVPX-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060131 746764223 /nfs/dbraw/zinc/76/42/23/746764223.db2.gz KSKISUPDUBVMDC-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060131 746764230 /nfs/dbraw/zinc/76/42/30/746764230.db2.gz KSKISUPDUBVMDC-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001196060131 746764235 /nfs/dbraw/zinc/76/42/35/746764235.db2.gz KSKISUPDUBVMDC-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001003137430 747013963 /nfs/dbraw/zinc/01/39/63/747013963.db2.gz JGMCLVLLQVDSHT-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001003137430 747013967 /nfs/dbraw/zinc/01/39/67/747013967.db2.gz JGMCLVLLQVDSHT-GDBMZVCRSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089538238 747176739 /nfs/dbraw/zinc/17/67/39/747176739.db2.gz VOCXGUYGDDXWHN-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089538238 747176743 /nfs/dbraw/zinc/17/67/43/747176743.db2.gz VOCXGUYGDDXWHN-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089538238 747176747 /nfs/dbraw/zinc/17/67/47/747176747.db2.gz VOCXGUYGDDXWHN-DLBZAZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559166 747218720 /nfs/dbraw/zinc/21/87/20/747218720.db2.gz NJPZZCNXMMAPAZ-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559166 747218722 /nfs/dbraw/zinc/21/87/22/747218722.db2.gz NJPZZCNXMMAPAZ-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559166 747218724 /nfs/dbraw/zinc/21/87/24/747218724.db2.gz NJPZZCNXMMAPAZ-HOTGVXAUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007496386 752174291 /nfs/dbraw/zinc/17/42/91/752174291.db2.gz PIPSCMRDYLLGJJ-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496386 752174295 /nfs/dbraw/zinc/17/42/95/752174295.db2.gz PIPSCMRDYLLGJJ-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496386 752174298 /nfs/dbraw/zinc/17/42/98/752174298.db2.gz PIPSCMRDYLLGJJ-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](OC)C1 ZINC001212407762 752203802 /nfs/dbraw/zinc/20/38/02/752203802.db2.gz DZFYCKXMASORST-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720983 748328058 /nfs/dbraw/zinc/32/80/58/748328058.db2.gz FSDRIFRXJVQOMF-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004458416 748450311 /nfs/dbraw/zinc/45/03/11/748450311.db2.gz LYYCLYNJSOZVTL-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004618979 748595556 /nfs/dbraw/zinc/59/55/56/748595556.db2.gz ZBESDYOXNNBCRN-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618979 748595563 /nfs/dbraw/zinc/59/55/63/748595563.db2.gz ZBESDYOXNNBCRN-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004618979 748595568 /nfs/dbraw/zinc/59/55/68/748595568.db2.gz ZBESDYOXNNBCRN-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202060450 748672730 /nfs/dbraw/zinc/67/27/30/748672730.db2.gz YGBZZPZBUFJLBU-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001108324796 761915394 /nfs/dbraw/zinc/91/53/94/761915394.db2.gz FSAHFXMDHVNCEU-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108324796 761915400 /nfs/dbraw/zinc/91/54/00/761915400.db2.gz FSAHFXMDHVNCEU-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001108324796 761915405 /nfs/dbraw/zinc/91/54/05/761915405.db2.gz FSAHFXMDHVNCEU-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114362068 749113823 /nfs/dbraw/zinc/11/38/23/749113823.db2.gz ZDTFUQQMQFFNCI-QXSJWSMHSA-N 2 1 311.445 1.679 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001202526791 749205919 /nfs/dbraw/zinc/20/59/19/749205919.db2.gz PELGCDGLYHMESU-UHFFFAOYSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000996413226 749567425 /nfs/dbraw/zinc/56/74/25/749567425.db2.gz AHNWAJICOOFMLS-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC000996627798 749806039 /nfs/dbraw/zinc/80/60/39/749806039.db2.gz ZLYPRVVFCWEGNT-ZDUSSCGKSA-N 2 1 310.829 1.771 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001095448723 749907726 /nfs/dbraw/zinc/90/77/26/749907726.db2.gz PTKHEIVPNOOGQO-PMPSAXMXSA-N 2 1 314.433 1.669 20 30 DDEDMP C=CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cn3c(n1)CCCC3)C2 ZINC001095448723 749907731 /nfs/dbraw/zinc/90/77/31/749907731.db2.gz PTKHEIVPNOOGQO-PMPSAXMXSA-N 2 1 314.433 1.669 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001095498789 749972583 /nfs/dbraw/zinc/97/25/83/749972583.db2.gz DUBSOPOKPQTNLQ-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001095498789 749972571 /nfs/dbraw/zinc/97/25/71/749972571.db2.gz DUBSOPOKPQTNLQ-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001095498789 749972577 /nfs/dbraw/zinc/97/25/77/749972577.db2.gz DUBSOPOKPQTNLQ-QZWWFDLISA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531852 750015588 /nfs/dbraw/zinc/01/55/88/750015588.db2.gz VDKAANCTPOKXGO-UGUYLWEFSA-N 2 1 312.417 1.505 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3[nH+]ccn31)C2 ZINC001095531852 750015595 /nfs/dbraw/zinc/01/55/95/750015595.db2.gz VDKAANCTPOKXGO-UGUYLWEFSA-N 2 1 312.417 1.505 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001107621864 750261378 /nfs/dbraw/zinc/26/13/78/750261378.db2.gz ZMBSIASNUULZDJ-SJLPKXTDSA-N 2 1 314.433 1.645 20 30 DDEDMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001039425027 762022548 /nfs/dbraw/zinc/02/25/48/762022548.db2.gz PQECFCJETHVAMK-NXOAAHMSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039425027 762022556 /nfs/dbraw/zinc/02/25/56/762022556.db2.gz PQECFCJETHVAMK-NXOAAHMSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001039425027 762022566 /nfs/dbraw/zinc/02/25/66/762022566.db2.gz PQECFCJETHVAMK-NXOAAHMSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001034690967 750719457 /nfs/dbraw/zinc/71/94/57/750719457.db2.gz FWIIRVIWXKREMA-SHTZXODSSA-N 2 1 316.449 1.965 20 30 DDEDMP C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941659 750742696 /nfs/dbraw/zinc/74/26/96/750742696.db2.gz KREKZTULGZASOP-FUHWJXTLSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001107941659 750742700 /nfs/dbraw/zinc/74/27/00/750742700.db2.gz KREKZTULGZASOP-FUHWJXTLSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107941659 750742704 /nfs/dbraw/zinc/74/27/04/750742704.db2.gz KREKZTULGZASOP-FUHWJXTLSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001107941659 750742712 /nfs/dbraw/zinc/74/27/12/750742712.db2.gz KREKZTULGZASOP-FUHWJXTLSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](O)C1 ZINC001083864401 750753667 /nfs/dbraw/zinc/75/36/67/750753667.db2.gz NOQHRWWAPKAGJB-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001035257915 751335193 /nfs/dbraw/zinc/33/51/93/751335193.db2.gz ATHADPVEQKNLEP-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035257915 751335197 /nfs/dbraw/zinc/33/51/97/751335197.db2.gz ATHADPVEQKNLEP-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001035257915 751335204 /nfs/dbraw/zinc/33/52/04/751335204.db2.gz ATHADPVEQKNLEP-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999212225 752659729 /nfs/dbraw/zinc/65/97/29/752659729.db2.gz XOYSMMJCBPCUOV-XJKSGUPXSA-N 2 1 317.437 1.557 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999212225 752659732 /nfs/dbraw/zinc/65/97/32/752659732.db2.gz XOYSMMJCBPCUOV-XJKSGUPXSA-N 2 1 317.437 1.557 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511218 752775643 /nfs/dbraw/zinc/77/56/43/752775643.db2.gz VFRMOHUZCOCXDQ-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008511218 752775648 /nfs/dbraw/zinc/77/56/48/752775648.db2.gz VFRMOHUZCOCXDQ-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001008511218 752775653 /nfs/dbraw/zinc/77/56/53/752775653.db2.gz VFRMOHUZCOCXDQ-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008511218 752775657 /nfs/dbraw/zinc/77/56/57/752775657.db2.gz VFRMOHUZCOCXDQ-QAPCUYQASA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000999392178 752886870 /nfs/dbraw/zinc/88/68/70/752886870.db2.gz QXTDSVPPLZASOF-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC000999392178 752886874 /nfs/dbraw/zinc/88/68/74/752886874.db2.gz QXTDSVPPLZASOF-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000999729506 753107481 /nfs/dbraw/zinc/10/74/81/753107481.db2.gz VTUSTUQPKAXLIO-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038538832 753533851 /nfs/dbraw/zinc/53/38/51/753533851.db2.gz YDLBRGINMGWVKS-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001038538832 753533858 /nfs/dbraw/zinc/53/38/58/753533858.db2.gz YDLBRGINMGWVKS-NDUQDZPOSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001108025304 753583879 /nfs/dbraw/zinc/58/38/79/753583879.db2.gz YYFWXZDVTJRNKD-WBVHZDCISA-N 2 1 309.454 1.254 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001010370404 753823709 /nfs/dbraw/zinc/82/37/09/753823709.db2.gz WLXOFPDNAAJJME-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001010370404 753823715 /nfs/dbraw/zinc/82/37/15/753823715.db2.gz WLXOFPDNAAJJME-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001010370404 753823724 /nfs/dbraw/zinc/82/37/24/753823724.db2.gz WLXOFPDNAAJJME-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001010370404 753823731 /nfs/dbraw/zinc/82/37/31/753823731.db2.gz WLXOFPDNAAJJME-DLBZAZTESA-N 2 1 312.417 1.343 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001000841133 762253433 /nfs/dbraw/zinc/25/34/33/762253433.db2.gz LKWKANVIPBXTIO-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001000841133 762253437 /nfs/dbraw/zinc/25/34/37/762253437.db2.gz LKWKANVIPBXTIO-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001000841133 762253442 /nfs/dbraw/zinc/25/34/42/762253442.db2.gz LKWKANVIPBXTIO-MSOLQXFVSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)C)CC1 ZINC001032800247 754055787 /nfs/dbraw/zinc/05/57/87/754055787.db2.gz CSWQGYBVAHUDIA-ROUUACIJSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001000909555 762332491 /nfs/dbraw/zinc/33/24/91/762332491.db2.gz UOKXKWPDDBXWIP-UHFFFAOYSA-N 2 1 308.385 1.720 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001080011535 755681654 /nfs/dbraw/zinc/68/16/54/755681654.db2.gz CIYPISLBYBOEHI-CXAGYDPISA-N 2 1 310.401 1.716 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001081229759 756272538 /nfs/dbraw/zinc/27/25/38/756272538.db2.gz ZHNZAZHXEGINEQ-ZWKOTPCHSA-N 2 1 324.428 1.962 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015393047 756279349 /nfs/dbraw/zinc/27/93/49/756279349.db2.gz RJXGXHXKFVDRAU-QGZVFWFLSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001015393047 756279354 /nfs/dbraw/zinc/27/93/54/756279354.db2.gz RJXGXHXKFVDRAU-QGZVFWFLSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015712700 756488202 /nfs/dbraw/zinc/48/82/02/756488202.db2.gz HBORCUSDMDDKHL-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015712700 756488204 /nfs/dbraw/zinc/48/82/04/756488204.db2.gz HBORCUSDMDDKHL-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082201171 756674834 /nfs/dbraw/zinc/67/48/34/756674834.db2.gz MZXLZZPOFBHXHJ-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001016631944 757220056 /nfs/dbraw/zinc/22/00/56/757220056.db2.gz HJLSTKDPAYVJTO-OAGGEKHMSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016732831 757306637 /nfs/dbraw/zinc/30/66/37/757306637.db2.gz DBEHISDJMFZRRC-OAHLLOKOSA-N 2 1 300.406 1.186 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097725658 757425870 /nfs/dbraw/zinc/42/58/70/757425870.db2.gz CQZODCBKWWMYRS-ABFRBSLYSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001097725658 757425877 /nfs/dbraw/zinc/42/58/77/757425877.db2.gz CQZODCBKWWMYRS-ABFRBSLYSA-N 2 1 314.433 1.661 20 30 DDEDMP C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040496971 762563366 /nfs/dbraw/zinc/56/33/66/762563366.db2.gz NTUQINIRASRMDM-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545384 757654667 /nfs/dbraw/zinc/65/46/67/757654667.db2.gz HWGJPLJAEFAGPS-ZACQAIPSSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545384 757654681 /nfs/dbraw/zinc/65/46/81/757654681.db2.gz HWGJPLJAEFAGPS-ZACQAIPSSA-N 2 1 301.434 1.027 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001084843944 757969462 /nfs/dbraw/zinc/96/94/62/757969462.db2.gz AHKNRDJGZNGOMM-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001084843944 757969464 /nfs/dbraw/zinc/96/94/64/757969464.db2.gz AHKNRDJGZNGOMM-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084843944 757969468 /nfs/dbraw/zinc/96/94/68/757969468.db2.gz AHKNRDJGZNGOMM-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001084843944 757969472 /nfs/dbraw/zinc/96/94/72/757969472.db2.gz AHKNRDJGZNGOMM-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC4CC4)C[C@H]32)CC1 ZINC001084850978 757977782 /nfs/dbraw/zinc/97/77/82/757977782.db2.gz HGDZOLYEYPYASD-QZTJIDSGSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001017632647 758101817 /nfs/dbraw/zinc/10/18/17/758101817.db2.gz MFNJWAVLISIQLB-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001017632647 758101821 /nfs/dbraw/zinc/10/18/21/758101821.db2.gz MFNJWAVLISIQLB-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001017632647 758101824 /nfs/dbraw/zinc/10/18/24/758101824.db2.gz MFNJWAVLISIQLB-YESZJQIVSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014362 758148909 /nfs/dbraw/zinc/14/89/09/758148909.db2.gz YUEYJCMEWLIFSH-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032737 758168433 /nfs/dbraw/zinc/16/84/33/758168433.db2.gz XHCCJRMBLYEQRA-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032737 758168443 /nfs/dbraw/zinc/16/84/43/758168443.db2.gz XHCCJRMBLYEQRA-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]21 ZINC001085032737 758168450 /nfs/dbraw/zinc/16/84/50/758168450.db2.gz XHCCJRMBLYEQRA-BBWFWOEESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032738 758169227 /nfs/dbraw/zinc/16/92/27/758169227.db2.gz XHCCJRMBLYEQRA-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032738 758169229 /nfs/dbraw/zinc/16/92/29/758169229.db2.gz XHCCJRMBLYEQRA-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]21 ZINC001085032738 758169230 /nfs/dbraw/zinc/16/92/30/758169230.db2.gz XHCCJRMBLYEQRA-ZACQAIPSSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085075300 758202840 /nfs/dbraw/zinc/20/28/40/758202840.db2.gz ZIHXMLDDTKVNGM-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085075300 758202850 /nfs/dbraw/zinc/20/28/50/758202850.db2.gz ZIHXMLDDTKVNGM-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085075300 758202859 /nfs/dbraw/zinc/20/28/59/758202859.db2.gz ZIHXMLDDTKVNGM-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429256 758455582 /nfs/dbraw/zinc/45/55/82/758455582.db2.gz JSJWMGMURTZTPP-HOTGVXAUSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429256 758455588 /nfs/dbraw/zinc/45/55/88/758455588.db2.gz JSJWMGMURTZTPP-HOTGVXAUSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848274 762704265 /nfs/dbraw/zinc/70/42/65/762704265.db2.gz HHDQHYFYZCJSKS-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001001230042 762674972 /nfs/dbraw/zinc/67/49/72/762674972.db2.gz PYMOWYJSZIKEED-KRWDZBQOSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001054134615 759210488 /nfs/dbraw/zinc/21/04/88/759210488.db2.gz JBHVNEYBALRVBN-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134615 759210490 /nfs/dbraw/zinc/21/04/90/759210490.db2.gz JBHVNEYBALRVBN-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001054134615 759210493 /nfs/dbraw/zinc/21/04/93/759210493.db2.gz JBHVNEYBALRVBN-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097958542 760022900 /nfs/dbraw/zinc/02/29/00/760022900.db2.gz VAJXOYXTBUGGSY-KFWWJZLASA-N 2 1 302.422 1.914 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C2 ZINC001097958542 760022911 /nfs/dbraw/zinc/02/29/11/760022911.db2.gz VAJXOYXTBUGGSY-KFWWJZLASA-N 2 1 302.422 1.914 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108216007 760416938 /nfs/dbraw/zinc/41/69/38/760416938.db2.gz PMFUOOLLADVOIU-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108216007 760416946 /nfs/dbraw/zinc/41/69/46/760416946.db2.gz PMFUOOLLADVOIU-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108216007 760416952 /nfs/dbraw/zinc/41/69/52/760416952.db2.gz PMFUOOLLADVOIU-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001085986672 760657288 /nfs/dbraw/zinc/65/72/88/760657288.db2.gz KLXWEMJGYBCGMT-NVXWUHKLSA-N 2 1 323.456 1.612 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038357419 761044207 /nfs/dbraw/zinc/04/42/07/761044207.db2.gz OTMIJTJBFYCAAI-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038357419 761044218 /nfs/dbraw/zinc/04/42/18/761044218.db2.gz OTMIJTJBFYCAAI-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086177645 761119349 /nfs/dbraw/zinc/11/93/49/761119349.db2.gz BVSNVERSLVMKHO-KFWWJZLASA-N 2 1 302.422 1.424 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](O)C1 ZINC001100114525 761805804 /nfs/dbraw/zinc/80/58/04/761805804.db2.gz PEGHYVDLSVHTTC-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001001404535 762832355 /nfs/dbraw/zinc/83/23/55/762832355.db2.gz ISAVERCZTIPHOL-ZWKOTPCHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC)CC1 ZINC001001493369 762913170 /nfs/dbraw/zinc/91/31/70/762913170.db2.gz YWUPHKIBMNUQHL-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCCC)CC1 ZINC001001493369 762913175 /nfs/dbraw/zinc/91/31/75/762913175.db2.gz YWUPHKIBMNUQHL-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001001570894 762970470 /nfs/dbraw/zinc/97/04/70/762970470.db2.gz ZOGLXWYOEMXQHF-UHFFFAOYSA-N 2 1 320.437 1.754 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](CCCF)C2)C1 ZINC001041368871 762984208 /nfs/dbraw/zinc/98/42/08/762984208.db2.gz RDBBPPZTVOASFX-WMZOPIPTSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001041368871 762984214 /nfs/dbraw/zinc/98/42/14/762984214.db2.gz RDBBPPZTVOASFX-WMZOPIPTSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCF)C2)C1 ZINC001041368871 762984221 /nfs/dbraw/zinc/98/42/21/762984221.db2.gz RDBBPPZTVOASFX-WMZOPIPTSA-N 2 1 321.440 1.368 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCF)C2)C1 ZINC001041368871 762984224 /nfs/dbraw/zinc/98/42/24/762984224.db2.gz RDBBPPZTVOASFX-WMZOPIPTSA-N 2 1 321.440 1.368 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041397732 763004534 /nfs/dbraw/zinc/00/45/34/763004534.db2.gz AQNMGSGPARKWPQ-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050069200 763085327 /nfs/dbraw/zinc/08/53/27/763085327.db2.gz ZSUKNDJNDWGZSK-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050069200 763085333 /nfs/dbraw/zinc/08/53/33/763085333.db2.gz ZSUKNDJNDWGZSK-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050069200 763085338 /nfs/dbraw/zinc/08/53/38/763085338.db2.gz ZSUKNDJNDWGZSK-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788271 763331739 /nfs/dbraw/zinc/33/17/39/763331739.db2.gz AUJHVIVTOFAGNH-KRWDZBQOSA-N 2 1 301.434 1.030 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001042096512 763646774 /nfs/dbraw/zinc/64/67/74/763646774.db2.gz ZUFUFCDWXACQCS-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042096512 763646778 /nfs/dbraw/zinc/64/67/78/763646778.db2.gz ZUFUFCDWXACQCS-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001042096512 763646781 /nfs/dbraw/zinc/64/67/81/763646781.db2.gz ZUFUFCDWXACQCS-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109898795 764182139 /nfs/dbraw/zinc/18/21/39/764182139.db2.gz DAVKPYCQGNIUJQ-PVAVHDDUSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH+]1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001111552370 764287799 /nfs/dbraw/zinc/28/77/99/764287799.db2.gz CXHJSLMQTZETCC-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)C2 ZINC001098463727 765238693 /nfs/dbraw/zinc/23/86/93/765238693.db2.gz DBDAYXFMTVIDRE-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001098463727 765238699 /nfs/dbraw/zinc/23/86/99/765238699.db2.gz DBDAYXFMTVIDRE-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098463727 765238704 /nfs/dbraw/zinc/23/87/04/765238704.db2.gz DBDAYXFMTVIDRE-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001098463727 765238707 /nfs/dbraw/zinc/23/87/07/765238707.db2.gz DBDAYXFMTVIDRE-WCXIOVBPSA-N 2 1 303.450 1.606 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001052386316 765780235 /nfs/dbraw/zinc/78/02/35/765780235.db2.gz AIYYDUPNQVYADY-HNNXBMFYSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001113679112 766006740 /nfs/dbraw/zinc/00/67/40/766006740.db2.gz CHUHCMQNVLJJFS-UHFFFAOYSA-N 2 1 309.454 1.209 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001129770322 766998461 /nfs/dbraw/zinc/99/84/61/766998461.db2.gz DMRIOCVAJIYBFR-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C)c(C)c1 ZINC001129770322 766998466 /nfs/dbraw/zinc/99/84/66/766998466.db2.gz DMRIOCVAJIYBFR-SFHVURJKSA-N 2 1 313.445 1.607 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001130297449 767417181 /nfs/dbraw/zinc/41/71/81/767417181.db2.gz LXECALRCMXJIAR-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001046694847 767812532 /nfs/dbraw/zinc/81/25/32/767812532.db2.gz KYQUJFNVWDTVHM-QGZVFWFLSA-N 2 1 319.453 1.215 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365415 768778466 /nfs/dbraw/zinc/77/84/66/768778466.db2.gz JZJOMMDRVIUVGX-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@H]1C ZINC001132365415 768778473 /nfs/dbraw/zinc/77/84/73/768778473.db2.gz JZJOMMDRVIUVGX-WBVHZDCISA-N 2 1 316.449 1.964 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132407515 768813235 /nfs/dbraw/zinc/81/32/35/768813235.db2.gz XREKRDRVHAWNLM-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001048560614 769533236 /nfs/dbraw/zinc/53/32/36/769533236.db2.gz MVJLUAGRJKOWJD-ACHSLPGTSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001048815145 769933520 /nfs/dbraw/zinc/93/35/20/769933520.db2.gz JGGHIMNISLNESY-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048815145 769933525 /nfs/dbraw/zinc/93/35/25/769933525.db2.gz JGGHIMNISLNESY-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@H]2C1 ZINC001048815145 769933530 /nfs/dbraw/zinc/93/35/30/769933530.db2.gz JGGHIMNISLNESY-BBWFWOEESA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849288 769983479 /nfs/dbraw/zinc/98/34/79/769983479.db2.gz FDMVPHRNUDACAN-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849288 769983484 /nfs/dbraw/zinc/98/34/84/769983484.db2.gz FDMVPHRNUDACAN-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849288 769983490 /nfs/dbraw/zinc/98/34/90/769983490.db2.gz FDMVPHRNUDACAN-BBWFWOEESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@H]2C1 ZINC001048863492 770009217 /nfs/dbraw/zinc/00/92/17/770009217.db2.gz DMHOHLKBKSTJBC-BBWFWOEESA-N 2 1 305.466 1.683 20 30 DDEDMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133865741 770382563 /nfs/dbraw/zinc/38/25/63/770382563.db2.gz FZCXIIZOQSGQBG-BLLLJJGKSA-N 2 1 318.396 1.101 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133865741 770382572 /nfs/dbraw/zinc/38/25/72/770382572.db2.gz FZCXIIZOQSGQBG-BLLLJJGKSA-N 2 1 318.396 1.101 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2C1 ZINC001049232097 770578366 /nfs/dbraw/zinc/57/83/66/770578366.db2.gz RFDQCJSTOVGNDN-VQHPVUNQSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049670756 771070289 /nfs/dbraw/zinc/07/02/89/771070289.db2.gz GPONDJCEPBFSIY-QAETUUGQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670756 771070293 /nfs/dbraw/zinc/07/02/93/771070293.db2.gz GPONDJCEPBFSIY-QAETUUGQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049670756 771070302 /nfs/dbraw/zinc/07/03/02/771070302.db2.gz GPONDJCEPBFSIY-QAETUUGQSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847407 771204389 /nfs/dbraw/zinc/20/43/89/771204389.db2.gz WPTRLIVQGMTNAO-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001049914035 771254826 /nfs/dbraw/zinc/25/48/26/771254826.db2.gz LNGCQMYNVINEBS-QZTJIDSGSA-N 2 1 317.477 1.951 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049916671 771257057 /nfs/dbraw/zinc/25/70/57/771257057.db2.gz FHYDBHHBBJZWQW-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049916671 771257059 /nfs/dbraw/zinc/25/70/59/771257059.db2.gz FHYDBHHBBJZWQW-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049916671 771257062 /nfs/dbraw/zinc/25/70/62/771257062.db2.gz FHYDBHHBBJZWQW-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](O)C1 ZINC001090571698 771998177 /nfs/dbraw/zinc/99/81/77/771998177.db2.gz BMJUJUHVAAMTOS-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090622840 772050968 /nfs/dbraw/zinc/05/09/68/772050968.db2.gz DEUVOGBONONCON-SJORKVTESA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171219463 772610874 /nfs/dbraw/zinc/61/08/74/772610874.db2.gz XKGBHHIMDVEAAJ-LBPRGKRZSA-N 2 1 318.259 1.333 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001073627389 773236805 /nfs/dbraw/zinc/23/68/05/773236805.db2.gz RCGPWLNULUWVTQ-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627389 773236810 /nfs/dbraw/zinc/23/68/10/773236810.db2.gz RCGPWLNULUWVTQ-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001073627389 773236814 /nfs/dbraw/zinc/23/68/14/773236814.db2.gz RCGPWLNULUWVTQ-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001147878421 773284294 /nfs/dbraw/zinc/28/42/94/773284294.db2.gz YMRQNWAKHUQRRS-INIZCTEOSA-N 2 1 300.406 1.106 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754071 773628830 /nfs/dbraw/zinc/62/88/30/773628830.db2.gz BMUPXOQHRXYJGM-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754071 773628833 /nfs/dbraw/zinc/62/88/33/773628833.db2.gz BMUPXOQHRXYJGM-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754071 773628835 /nfs/dbraw/zinc/62/88/35/773628835.db2.gz BMUPXOQHRXYJGM-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086910282 773712007 /nfs/dbraw/zinc/71/20/07/773712007.db2.gz QBLKDDWAIBXFCP-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001098945072 774733505 /nfs/dbraw/zinc/73/35/05/774733505.db2.gz SKEYTUFVKRCQQU-LPHOPBHVSA-N 2 1 322.412 1.942 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098945911 774734736 /nfs/dbraw/zinc/73/47/36/774734736.db2.gz PKVKSMFVJCPTMY-RDJZCZTQSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098945911 774734739 /nfs/dbraw/zinc/73/47/39/774734739.db2.gz PKVKSMFVJCPTMY-RDJZCZTQSA-N 2 1 302.422 1.738 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001099062810 774803919 /nfs/dbraw/zinc/80/39/19/774803919.db2.gz HPZMFTPIUVIEGL-HKUYNNGSSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC=C)C1 ZINC001100415482 776122552 /nfs/dbraw/zinc/12/25/52/776122552.db2.gz SXVIGRNBIICLGT-JCYILVPMSA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCCC=C)C1 ZINC001100415482 776122553 /nfs/dbraw/zinc/12/25/53/776122553.db2.gz SXVIGRNBIICLGT-JCYILVPMSA-N 2 1 303.450 1.535 20 30 DDEDMP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001100605691 776357354 /nfs/dbraw/zinc/35/73/54/776357354.db2.gz PAMPBPVAEPQGAY-OFLPRAFFSA-N 2 1 323.481 1.546 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150195381 777212341 /nfs/dbraw/zinc/21/23/41/777212341.db2.gz ZDNHNAIABRJFDJ-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001175731087 777883382 /nfs/dbraw/zinc/88/33/82/777883382.db2.gz RVRJCBHHOYFECT-MRXNPFEDSA-N 2 1 311.470 1.549 20 30 DDEDMP C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103049905 778597844 /nfs/dbraw/zinc/59/78/44/778597844.db2.gz KJPKJEJGAIOUQN-BZUAXINKSA-N 2 1 313.461 1.927 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001177463047 778598613 /nfs/dbraw/zinc/59/86/13/778598613.db2.gz LRAUUQGFOLDPOM-SFHVURJKSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103193879 778703035 /nfs/dbraw/zinc/70/30/35/778703035.db2.gz OIKNLZLPBRELPP-GDBMZVCRSA-N 2 1 310.401 1.655 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395845 778840662 /nfs/dbraw/zinc/84/06/62/778840662.db2.gz OVMRCKXABZKDCY-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359796 779736559 /nfs/dbraw/zinc/73/65/59/779736559.db2.gz LNOUZIWZVBBKBZ-NTDBWNAOSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115596515 780256724 /nfs/dbraw/zinc/25/67/24/780256724.db2.gz JXTPMDPDFCYHKB-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001266466680 836304037 /nfs/dbraw/zinc/30/40/37/836304037.db2.gz SZNDVTKTNRCHNU-MRXNPFEDSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266514634 836395031 /nfs/dbraw/zinc/39/50/31/836395031.db2.gz UAAGSAZRJOFYCJ-GJZGRUSLSA-N 2 1 302.422 1.468 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001266514634 836395044 /nfs/dbraw/zinc/39/50/44/836395044.db2.gz UAAGSAZRJOFYCJ-GJZGRUSLSA-N 2 1 302.422 1.468 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266531868 836425053 /nfs/dbraw/zinc/42/50/53/836425053.db2.gz KGPYBTLWDCOICB-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266545360 836445378 /nfs/dbraw/zinc/44/53/78/836445378.db2.gz MSZPTRFMTJYTQY-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001279443476 836494005 /nfs/dbraw/zinc/49/40/05/836494005.db2.gz UILJLGXXAUGCKR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001267727529 838757197 /nfs/dbraw/zinc/75/71/97/838757197.db2.gz QFKOMKGEGZUIDI-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267768709 838917188 /nfs/dbraw/zinc/91/71/88/838917188.db2.gz VQUNOWKOTCFDEY-HOTGVXAUSA-N 2 1 311.470 1.308 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001267776469 838951823 /nfs/dbraw/zinc/95/18/23/838951823.db2.gz AYZJFIGMUPRDIA-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267943107 839232829 /nfs/dbraw/zinc/23/28/29/839232829.db2.gz AHWBVCKYQXRRLE-NVXWUHKLSA-N 2 1 305.466 1.568 20 30 DDEDMP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253078 839898810 /nfs/dbraw/zinc/89/88/10/839898810.db2.gz KKTQUJKRZRAHPR-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253078 839898824 /nfs/dbraw/zinc/89/88/24/839898824.db2.gz KKTQUJKRZRAHPR-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268253078 839898833 /nfs/dbraw/zinc/89/88/33/839898833.db2.gz KKTQUJKRZRAHPR-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268253078 839898846 /nfs/dbraw/zinc/89/88/46/839898846.db2.gz KKTQUJKRZRAHPR-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]21 ZINC001268271387 839926096 /nfs/dbraw/zinc/92/60/96/839926096.db2.gz RJXGPJJJQPROHM-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001268271387 839926100 /nfs/dbraw/zinc/92/61/00/839926100.db2.gz RJXGPJJJQPROHM-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001268271387 839926110 /nfs/dbraw/zinc/92/61/10/839926110.db2.gz RJXGPJJJQPROHM-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001269348723 841549883 /nfs/dbraw/zinc/54/98/83/841549883.db2.gz NCIKQZDEAMCJRP-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001269348723 841549888 /nfs/dbraw/zinc/54/98/88/841549888.db2.gz NCIKQZDEAMCJRP-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269348723 841549896 /nfs/dbraw/zinc/54/98/96/841549896.db2.gz NCIKQZDEAMCJRP-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001269413635 841621781 /nfs/dbraw/zinc/62/17/81/841621781.db2.gz XGIOJIYAOJPABF-RDJZCZTQSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001269837050 842092679 /nfs/dbraw/zinc/09/26/79/842092679.db2.gz BUSXVDJQWMCKAH-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001269837050 842092688 /nfs/dbraw/zinc/09/26/88/842092688.db2.gz BUSXVDJQWMCKAH-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](F)CC ZINC001270221702 842399449 /nfs/dbraw/zinc/39/94/49/842399449.db2.gz JJVOCLYJHOMENS-OAGGEKHMSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](F)CC ZINC001270221702 842399455 /nfs/dbraw/zinc/39/94/55/842399455.db2.gz JJVOCLYJHOMENS-OAGGEKHMSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001270965760 843091955 /nfs/dbraw/zinc/09/19/55/843091955.db2.gz OIHQQJVPYDQGFR-RDJZCZTQSA-N 2 1 311.445 1.518 20 30 DDEDMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001270998827 843121747 /nfs/dbraw/zinc/12/17/47/843121747.db2.gz JEZLADXXKXZLMP-QGZVFWFLSA-N 2 1 309.454 1.113 20 30 DDEDMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001270998827 843121751 /nfs/dbraw/zinc/12/17/51/843121751.db2.gz JEZLADXXKXZLMP-QGZVFWFLSA-N 2 1 309.454 1.113 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001280367404 843223614 /nfs/dbraw/zinc/22/36/14/843223614.db2.gz HSTQPSPTZOQWRE-ULQDDVLXSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC001271551247 843690668 /nfs/dbraw/zinc/69/06/68/843690668.db2.gz KADLSZVZCUCSGA-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001326557608 861445743 /nfs/dbraw/zinc/44/57/43/861445743.db2.gz CQHBJFICAVUBPW-TVFCKZIOSA-N 2 1 317.477 1.901 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001271678756 843777552 /nfs/dbraw/zinc/77/75/52/843777552.db2.gz STAKEPQXASTQTH-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816897 847186239 /nfs/dbraw/zinc/18/62/39/847186239.db2.gz JJWVAXKHTSQDRV-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816897 847186244 /nfs/dbraw/zinc/18/62/44/847186244.db2.gz JJWVAXKHTSQDRV-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816897 847186251 /nfs/dbraw/zinc/18/62/51/847186251.db2.gz JJWVAXKHTSQDRV-DOTOQJQBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[N@H+](CC(C)(C)C[NH+](C)C)C2)C1=O ZINC001272871079 847570523 /nfs/dbraw/zinc/57/05/23/847570523.db2.gz VVGMBTSUUCZAAR-GOSISDBHSA-N 2 1 321.465 1.601 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001273106156 847918939 /nfs/dbraw/zinc/91/89/39/847918939.db2.gz KWCWOZMFYXXFCB-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+]2CC2CC[NH+](CC)CC2)C1=O ZINC001273143079 848548895 /nfs/dbraw/zinc/54/88/95/848548895.db2.gz BBUOGQGOPMEQOA-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001327298338 862042682 /nfs/dbraw/zinc/04/26/82/862042682.db2.gz GJVBXGCWISXBHF-MSOLQXFVSA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150192112 862136195 /nfs/dbraw/zinc/13/61/95/862136195.db2.gz AJSDEDANYYQNDF-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150435425 862240310 /nfs/dbraw/zinc/24/03/10/862240310.db2.gz ITHXJBABOVTAGI-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001150435425 862240322 /nfs/dbraw/zinc/24/03/22/862240322.db2.gz ITHXJBABOVTAGI-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP N#CCCCC[N@@H+]1CC[C@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001274042154 851883247 /nfs/dbraw/zinc/88/32/47/851883247.db2.gz BZJWDHNCBABCOG-KRWDZBQOSA-N 2 1 315.421 1.501 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCc2cncn2C)C[C@@H]1C ZINC001274652752 852486583 /nfs/dbraw/zinc/48/65/83/852486583.db2.gz GDADCNUGNWWUBK-GJZGRUSLSA-N 2 1 302.422 1.345 20 30 DDEDMP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275520933 853275113 /nfs/dbraw/zinc/27/51/13/853275113.db2.gz LDJGVLCFEHKBKB-WMZOPIPTSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001275520933 853275118 /nfs/dbraw/zinc/27/51/18/853275118.db2.gz LDJGVLCFEHKBKB-WMZOPIPTSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001275520933 853275124 /nfs/dbraw/zinc/27/51/24/853275124.db2.gz LDJGVLCFEHKBKB-WMZOPIPTSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@@H](C[NH+](C)CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001275520933 853275131 /nfs/dbraw/zinc/27/51/31/853275131.db2.gz LDJGVLCFEHKBKB-WMZOPIPTSA-N 2 1 313.445 1.569 20 30 DDEDMP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccc(C#N)cc4)CC3)[C@@H]2C1 ZINC001275828626 853828493 /nfs/dbraw/zinc/82/84/93/853828493.db2.gz DGIYCEFIPXKNSQ-IAGOWNOFSA-N 2 1 324.428 1.200 20 30 DDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298571 855461042 /nfs/dbraw/zinc/46/10/42/855461042.db2.gz DYYWIJIJBXWPHR-ZACQAIPSSA-N 2 1 321.465 1.090 20 30 DDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111298571 855461050 /nfs/dbraw/zinc/46/10/50/855461050.db2.gz DYYWIJIJBXWPHR-ZACQAIPSSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596159 857034699 /nfs/dbraw/zinc/03/46/99/857034699.db2.gz SEWMCSMTLXXQQJ-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596159 857034707 /nfs/dbraw/zinc/03/47/07/857034707.db2.gz SEWMCSMTLXXQQJ-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049597082 857036555 /nfs/dbraw/zinc/03/65/55/857036555.db2.gz ZTUSHJBKFFNVID-HOTGVXAUSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049597082 857036562 /nfs/dbraw/zinc/03/65/62/857036562.db2.gz ZTUSHJBKFFNVID-HOTGVXAUSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001072981511 857962615 /nfs/dbraw/zinc/96/26/15/857962615.db2.gz JPOCWVSHHFYIQY-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981511 857962625 /nfs/dbraw/zinc/96/26/25/857962625.db2.gz JPOCWVSHHFYIQY-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC001072981511 857962632 /nfs/dbraw/zinc/96/26/32/857962632.db2.gz JPOCWVSHHFYIQY-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)C2)C1 ZINC001072983206 857966046 /nfs/dbraw/zinc/96/60/46/857966046.db2.gz NZUNZFLCOJVROZ-GOSISDBHSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983206 857966050 /nfs/dbraw/zinc/96/60/50/857966050.db2.gz NZUNZFLCOJVROZ-GOSISDBHSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)C2)C1 ZINC001072983206 857966053 /nfs/dbraw/zinc/96/60/53/857966053.db2.gz NZUNZFLCOJVROZ-GOSISDBHSA-N 2 1 321.440 1.366 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050254 858048651 /nfs/dbraw/zinc/04/86/51/858048651.db2.gz QQMWTJYMQZCZMA-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050254 858048660 /nfs/dbraw/zinc/04/86/60/858048660.db2.gz QQMWTJYMQZCZMA-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050254 858048668 /nfs/dbraw/zinc/04/86/68/858048668.db2.gz QQMWTJYMQZCZMA-IRXDYDNUSA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001121830072 858607917 /nfs/dbraw/zinc/60/79/17/858607917.db2.gz RHEITKXIIVZFNR-HNNXBMFYSA-N 2 1 306.454 1.114 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330445869 864354977 /nfs/dbraw/zinc/35/49/77/864354977.db2.gz NNDFHYNCKJHQQG-HZPDHXFCSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001158872721 864951124 /nfs/dbraw/zinc/95/11/24/864951124.db2.gz YEZNQMMTSYFQMT-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001158872721 864951128 /nfs/dbraw/zinc/95/11/28/864951128.db2.gz YEZNQMMTSYFQMT-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@@H]1C ZINC001331926655 865437574 /nfs/dbraw/zinc/43/75/74/865437574.db2.gz MGWKXYSEYKVROF-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001332707499 866082460 /nfs/dbraw/zinc/08/24/60/866082460.db2.gz MNRFVUAYNVSWKL-QGZVFWFLSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001320162360 866524401 /nfs/dbraw/zinc/52/44/01/866524401.db2.gz DMGWOPOYDXBSQJ-HZPDHXFCSA-N 2 1 307.482 1.862 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001323472919 866631276 /nfs/dbraw/zinc/63/12/76/866631276.db2.gz TVSATMSGQUXEMB-HOTGVXAUSA-N 2 1 321.465 1.444 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001324078344 867054940 /nfs/dbraw/zinc/05/49/40/867054940.db2.gz ZWRNQZOVSXFSLZ-KBPBESRZSA-N 2 1 320.437 1.895 20 30 DDEDMP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001324894090 867609653 /nfs/dbraw/zinc/60/96/53/867609653.db2.gz ZSGSNJLHFYFQIV-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2NCc1noc2c1C[NH2+]CC2 ZINC001163126789 868130190 /nfs/dbraw/zinc/13/01/90/868130190.db2.gz ZFLNCLFWDCCSGJ-UHFFFAOYSA-N 2 1 310.361 1.863 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001166634171 870114965 /nfs/dbraw/zinc/11/49/65/870114965.db2.gz PXGVPALUTZLZOK-QGZVFWFLSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001317241248 870523856 /nfs/dbraw/zinc/52/38/56/870523856.db2.gz LBNJDWIHFLXXSC-JKSUJKDBSA-N 2 1 305.466 1.759 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC#CCOC)CC1 ZINC001203903032 870824622 /nfs/dbraw/zinc/82/46/22/870824622.db2.gz IVNVBEKEWGMQRV-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP CN(C)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(F)c1C#N ZINC001205242582 871453906 /nfs/dbraw/zinc/45/39/06/871453906.db2.gz YINFYIXAWXXOBI-KRWDZBQOSA-N 2 1 320.412 1.439 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317840810 871574662 /nfs/dbraw/zinc/57/46/62/871574662.db2.gz VKORKQJXBABYIT-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317840810 871574672 /nfs/dbraw/zinc/57/46/72/871574672.db2.gz VKORKQJXBABYIT-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317840810 871574681 /nfs/dbraw/zinc/57/46/81/871574681.db2.gz VKORKQJXBABYIT-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC001341768078 871816975 /nfs/dbraw/zinc/81/69/75/871816975.db2.gz PCZBSEFOWOXEAG-HOTGVXAUSA-N 2 1 317.433 1.852 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001316951154 872454398 /nfs/dbraw/zinc/45/43/98/872454398.db2.gz YXPSYKXESYXILM-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001208609811 874315021 /nfs/dbraw/zinc/31/50/21/874315021.db2.gz NDPYUXDYWQGYDO-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001208609811 874315033 /nfs/dbraw/zinc/31/50/33/874315033.db2.gz NDPYUXDYWQGYDO-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208609811 874315042 /nfs/dbraw/zinc/31/50/42/874315042.db2.gz NDPYUXDYWQGYDO-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)C2)C1=O ZINC001208609811 874315054 /nfs/dbraw/zinc/31/50/54/874315054.db2.gz NDPYUXDYWQGYDO-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCCN2C)C(C)(C)C1 ZINC001276593983 874486567 /nfs/dbraw/zinc/48/65/67/874486567.db2.gz SENYBHGCHUMNBY-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC001276593983 874486583 /nfs/dbraw/zinc/48/65/83/874486583.db2.gz SENYBHGCHUMNBY-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593983 874486592 /nfs/dbraw/zinc/48/65/92/874486592.db2.gz SENYBHGCHUMNBY-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001276593983 874486601 /nfs/dbraw/zinc/48/66/01/874486601.db2.gz SENYBHGCHUMNBY-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001276622760 874714672 /nfs/dbraw/zinc/71/46/72/874714672.db2.gz BNEPQDFZXZCMCY-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001276622760 874714675 /nfs/dbraw/zinc/71/46/75/874714675.db2.gz BNEPQDFZXZCMCY-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210146755 875245880 /nfs/dbraw/zinc/24/58/80/875245880.db2.gz XBALXKWZKSXJNT-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@@H+](CCC[C@H](C)O)C1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001352935565 877023006 /nfs/dbraw/zinc/02/30/06/877023006.db2.gz QPSJAYXAJQWWPI-SJORKVTESA-N 2 1 310.482 1.708 20 30 DDEDMP C#CC[N@H+](CCC[C@H](C)O)C1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001352935565 877023017 /nfs/dbraw/zinc/02/30/17/877023017.db2.gz QPSJAYXAJQWWPI-SJORKVTESA-N 2 1 310.482 1.708 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634228 877903617 /nfs/dbraw/zinc/90/36/17/877903617.db2.gz BOEXLZQQXSMKGS-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001380009858 878551704 /nfs/dbraw/zinc/55/17/04/878551704.db2.gz IVWHFHXKNNCANE-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccc(C#N)cc1 ZINC001380009858 878551722 /nfs/dbraw/zinc/55/17/22/878551722.db2.gz IVWHFHXKNNCANE-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001380009858 878551745 /nfs/dbraw/zinc/55/17/45/878551745.db2.gz IVWHFHXKNNCANE-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001380009858 878551759 /nfs/dbraw/zinc/55/17/59/878551759.db2.gz IVWHFHXKNNCANE-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220977944 879422157 /nfs/dbraw/zinc/42/21/57/879422157.db2.gz GGPUZBSWXUAYAU-OAGGEKHMSA-N 2 1 311.470 1.070 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220977944 879422167 /nfs/dbraw/zinc/42/21/67/879422167.db2.gz GGPUZBSWXUAYAU-OAGGEKHMSA-N 2 1 311.470 1.070 20 30 DDEDMP C=CCc1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1O ZINC001222091507 880238972 /nfs/dbraw/zinc/23/89/72/880238972.db2.gz UKVGLPSISUMIQE-UHFFFAOYSA-N 2 1 301.434 1.648 20 30 DDEDMP Cn1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c2cc(C#N)ccc21 ZINC001222510714 880527599 /nfs/dbraw/zinc/52/75/99/880527599.db2.gz FKTDBCYDNZLYAA-HKUYNNGSSA-N 2 1 323.444 1.576 20 30 DDEDMP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1[nH]ccc1C#N)CC2 ZINC001276839777 880707144 /nfs/dbraw/zinc/70/71/44/880707144.db2.gz FFXBLGWYIFLPBD-UHFFFAOYSA-N 2 1 301.438 1.346 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001230591969 884628854 /nfs/dbraw/zinc/62/88/54/884628854.db2.gz OIGHVKMXXPDQNF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001277865809 888104881 /nfs/dbraw/zinc/10/48/81/888104881.db2.gz JCSDEFHGJJUBPP-ROUUACIJSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001277941257 888601566 /nfs/dbraw/zinc/60/15/66/888601566.db2.gz NAHUUBZPAQSDFJ-PBHICJAKSA-N 2 1 311.445 1.966 20 30 DDEDMP COCC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512375 888701553 /nfs/dbraw/zinc/70/15/53/888701553.db2.gz KBRWTDFFNXGTBG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235512375 888701562 /nfs/dbraw/zinc/70/15/62/888701562.db2.gz KBRWTDFFNXGTBG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235512375 888701568 /nfs/dbraw/zinc/70/15/68/888701568.db2.gz KBRWTDFFNXGTBG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP COCC#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235512375 888701577 /nfs/dbraw/zinc/70/15/77/888701577.db2.gz KBRWTDFFNXGTBG-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001278451134 892656109 /nfs/dbraw/zinc/65/61/09/892656109.db2.gz HGVBGSGPMKZANX-JFIYKMOQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278451134 892656115 /nfs/dbraw/zinc/65/61/15/892656115.db2.gz HGVBGSGPMKZANX-JFIYKMOQSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001278451134 892656119 /nfs/dbraw/zinc/65/61/19/892656119.db2.gz HGVBGSGPMKZANX-JFIYKMOQSA-N 2 1 303.450 1.607 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001366274059 892984369 /nfs/dbraw/zinc/98/43/69/892984369.db2.gz KNLHFBMPEKGOIW-LALPHHSUSA-N 2 1 320.462 1.554 20 30 DDEDMP C=CCC[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001252615051 895316674 /nfs/dbraw/zinc/31/66/74/895316674.db2.gz UJAIBNDYGWOAJE-LJQANCHMSA-N 2 1 317.477 1.851 20 30 DDEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001278878440 897075464 /nfs/dbraw/zinc/07/54/64/897075464.db2.gz OGKOCFXMPHYJIM-IRXDYDNUSA-N 2 1 323.481 1.024 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001278878440 897075477 /nfs/dbraw/zinc/07/54/77/897075477.db2.gz OGKOCFXMPHYJIM-IRXDYDNUSA-N 2 1 323.481 1.024 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001278878440 897075490 /nfs/dbraw/zinc/07/54/90/897075490.db2.gz OGKOCFXMPHYJIM-IRXDYDNUSA-N 2 1 323.481 1.024 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC001374951541 914438674 /nfs/dbraw/zinc/43/86/74/914438674.db2.gz ODAWUSOKBRUSFU-AWEZNQCLSA-N 2 1 302.422 1.494 20 30 DDEDMP C#CC[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC001263065512 900478907 /nfs/dbraw/zinc/47/89/07/900478907.db2.gz HKTQTCRAHMXZGX-INIZCTEOSA-N 2 1 313.445 1.758 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(C#N)c1 ZINC001391013708 900686551 /nfs/dbraw/zinc/68/65/51/900686551.db2.gz ZGGOYKNHNYNHOW-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(C#N)c1 ZINC001391013708 900686566 /nfs/dbraw/zinc/68/65/66/900686566.db2.gz ZGGOYKNHNYNHOW-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(C#N)c1 ZINC001391013708 900686575 /nfs/dbraw/zinc/68/65/75/900686575.db2.gz ZGGOYKNHNYNHOW-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265436531 902014696 /nfs/dbraw/zinc/01/46/96/902014696.db2.gz JRDIPJUTWNYCFP-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001265454288 902032484 /nfs/dbraw/zinc/03/24/84/902032484.db2.gz KYYWTIIOTVFKCY-ROUUACIJSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001265526078 902094567 /nfs/dbraw/zinc/09/45/67/902094567.db2.gz QWWPWCYKDBTRGB-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001265526078 902094578 /nfs/dbraw/zinc/09/45/78/902094578.db2.gz QWWPWCYKDBTRGB-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001265526078 902094593 /nfs/dbraw/zinc/09/45/93/902094593.db2.gz QWWPWCYKDBTRGB-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001370014003 902390530 /nfs/dbraw/zinc/39/05/30/902390530.db2.gz GJVGGHKPZBEOMT-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001265824078 902450089 /nfs/dbraw/zinc/45/00/89/902450089.db2.gz PLVBUIJSNCCHHI-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001316603963 903756309 /nfs/dbraw/zinc/75/63/09/903756309.db2.gz FBWKHJISHOZODI-ULQDDVLXSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316603963 903756318 /nfs/dbraw/zinc/75/63/18/903756318.db2.gz FBWKHJISHOZODI-ULQDDVLXSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316603963 903756331 /nfs/dbraw/zinc/75/63/31/903756331.db2.gz FBWKHJISHOZODI-ULQDDVLXSA-N 2 1 323.481 1.452 20 30 DDEDMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001371880149 905915144 /nfs/dbraw/zinc/91/51/44/905915144.db2.gz MCGIBONKUXGPPJ-WMLDXEAASA-N 2 1 314.433 1.494 20 30 DDEDMP COC[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1COC ZINC000452038190 231277742 /nfs/dbraw/zinc/27/77/42/231277742.db2.gz LXSKEEBOUSQQRV-QZTJIDSGSA-N 2 1 308.466 1.992 20 30 DDEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000424142930 299201789 /nfs/dbraw/zinc/20/17/89/299201789.db2.gz IZWHTDYQVIMCEQ-GJZGRUSLSA-N 2 1 322.453 1.157 20 30 DDEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437733 356213821 /nfs/dbraw/zinc/21/38/21/356213821.db2.gz DVKMWXRQHJIBGV-CVEARBPZSA-N 2 1 306.454 1.588 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507788 356524045 /nfs/dbraw/zinc/52/40/45/356524045.db2.gz QUIXMDSSYBNRSP-KBAYOESNSA-N 2 1 320.481 1.847 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000596423699 356874545 /nfs/dbraw/zinc/87/45/45/356874545.db2.gz AJAJLIMMLKVKNV-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000596423699 356874548 /nfs/dbraw/zinc/87/45/48/356874548.db2.gz AJAJLIMMLKVKNV-UHFFFAOYSA-N 2 1 305.382 1.762 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000598598518 357647793 /nfs/dbraw/zinc/64/77/93/357647793.db2.gz AFZODMWQFGTVSO-IXDOHACOSA-N 2 1 322.497 1.245 20 30 DDEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306862 357886561 /nfs/dbraw/zinc/88/65/61/357886561.db2.gz DGWGQTXPBXOWCS-IAGOWNOFSA-N 2 1 323.481 1.721 20 30 DDEDMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306862 357886566 /nfs/dbraw/zinc/88/65/66/357886566.db2.gz DGWGQTXPBXOWCS-IAGOWNOFSA-N 2 1 323.481 1.721 20 30 DDEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599306862 357886570 /nfs/dbraw/zinc/88/65/70/357886570.db2.gz DGWGQTXPBXOWCS-IAGOWNOFSA-N 2 1 323.481 1.721 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)C2)CC1 ZINC000602878033 359261025 /nfs/dbraw/zinc/26/10/25/359261025.db2.gz OVVXIWDHBQICLR-INIZCTEOSA-N 2 1 321.465 1.475 20 30 DDEDMP CN(CCC1(C#N)CCCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989647 359341957 /nfs/dbraw/zinc/34/19/57/359341957.db2.gz XZXHMNSXLOIKNQ-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCC#N ZINC000612380194 360990714 /nfs/dbraw/zinc/99/07/14/360990714.db2.gz OKEBPKBGLNTNMC-HNNXBMFYSA-N 2 1 309.458 1.348 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)Cc3ccccc32)CC1 ZINC000103410494 407338479 /nfs/dbraw/zinc/33/84/79/407338479.db2.gz JJGCYHQHQQGPDM-UHFFFAOYSA-N 2 1 311.429 1.810 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000124443568 407358462 /nfs/dbraw/zinc/35/84/62/407358462.db2.gz ODXKEFNOYMWTKK-KRWDZBQOSA-N 2 1 319.493 1.816 20 30 DDEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCSCC#N)C2)CC1 ZINC000136065508 408073523 /nfs/dbraw/zinc/07/35/23/408073523.db2.gz VQXLJVXBZCAZIM-INIZCTEOSA-N 2 1 310.511 1.735 20 30 DDEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCSCC#N)C2)CC1 ZINC000136065508 408073530 /nfs/dbraw/zinc/07/35/30/408073530.db2.gz VQXLJVXBZCAZIM-INIZCTEOSA-N 2 1 310.511 1.735 20 30 DDEDMP CCN1CC[NH+](Cc2ccc(CNC(NC)=[NH+]C)cc2)CC1 ZINC000161512414 408609862 /nfs/dbraw/zinc/60/98/62/408609862.db2.gz SWCBKAWKIXFUTM-UHFFFAOYSA-N 2 1 303.454 1.119 20 30 DDEDMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(c2ncc[nH]2)CC1 ZINC000328706608 409959953 /nfs/dbraw/zinc/95/99/53/409959953.db2.gz PRQPXZCHCVSYHC-ZDUSSCGKSA-N 2 1 317.437 1.987 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CC[C@]2(CCOC2)C1 ZINC000261994204 222268461 /nfs/dbraw/zinc/26/84/61/222268461.db2.gz RZAGGNTVCGUZST-WMZOPIPTSA-N 2 1 322.497 1.795 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNc1ccccc1 ZINC000264134298 222323853 /nfs/dbraw/zinc/32/38/53/222323853.db2.gz ZFAYZDDRRBZWCW-MRXNPFEDSA-N 2 1 303.454 1.877 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)OCO2 ZINC000264133248 222323952 /nfs/dbraw/zinc/32/39/52/222323952.db2.gz USIQOYSQWBUOPP-CYBMUJFWSA-N 2 1 304.394 1.304 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000262025164 222270619 /nfs/dbraw/zinc/27/06/19/222270619.db2.gz ZODSPEXTACZIJL-YQQAZPJKSA-N 3 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC[NH+]1CCCC[C@@H]1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262025164 222270624 /nfs/dbraw/zinc/27/06/24/222270624.db2.gz ZODSPEXTACZIJL-YQQAZPJKSA-N 3 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC[NH+]1CCCC[C@@H]1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262025164 222270626 /nfs/dbraw/zinc/27/06/26/222270626.db2.gz ZODSPEXTACZIJL-YQQAZPJKSA-N 3 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000262025164 222270629 /nfs/dbraw/zinc/27/06/29/222270629.db2.gz ZODSPEXTACZIJL-YQQAZPJKSA-N 2 1 321.513 1.509 20 30 DDEDMP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000262025164 222270635 /nfs/dbraw/zinc/27/06/35/222270635.db2.gz ZODSPEXTACZIJL-YQQAZPJKSA-N 2 1 321.513 1.509 20 30 DDEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262184375 222272916 /nfs/dbraw/zinc/27/29/16/222272916.db2.gz XLHICGQLQDJXEA-QGZVFWFLSA-N 2 1 301.434 1.731 20 30 DDEDMP CCN1CC[NH+](Cc2ccccc2CNC2=[NH+]CCN2C)CC1 ZINC000262679954 222289882 /nfs/dbraw/zinc/28/98/82/222289882.db2.gz VPGVXYSNFZQXPE-UHFFFAOYSA-N 2 1 315.465 1.215 20 30 DDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1ccco1 ZINC000262824529 222297318 /nfs/dbraw/zinc/29/73/18/222297318.db2.gz XWJJXLCMXMZTIM-OAHLLOKOSA-N 2 1 310.467 1.724 20 30 DDEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCSCC1 ZINC000263243297 222306851 /nfs/dbraw/zinc/30/68/51/222306851.db2.gz LZJOVGIYHKCUOK-ZDUSSCGKSA-N 2 1 308.451 1.780 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccccc1OC ZINC000264106087 222318276 /nfs/dbraw/zinc/31/82/76/222318276.db2.gz NVHGABZPULLNPU-HNNXBMFYSA-N 2 1 304.438 1.626 20 30 DDEDMP CCCOc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cn1 ZINC000267457915 222385863 /nfs/dbraw/zinc/38/58/63/222385863.db2.gz UCMUFFSOOVBFNP-HNNXBMFYSA-N 2 1 319.453 1.759 20 30 DDEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000580948038 421868798 /nfs/dbraw/zinc/86/87/98/421868798.db2.gz XHPHEHITUYNAHE-DLBZAZTESA-N 2 1 317.433 1.619 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000076482143 341208128 /nfs/dbraw/zinc/20/81/28/341208128.db2.gz SWMHMLXRDRKCTE-NVXWUHKLSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000491725154 526763014 /nfs/dbraw/zinc/76/30/14/526763014.db2.gz DABOMFRTSAPZHD-UHFFFAOYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000491821473 526812220 /nfs/dbraw/zinc/81/22/20/526812220.db2.gz VWCBVXLREATVLN-INIZCTEOSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000491821473 526812225 /nfs/dbraw/zinc/81/22/25/526812225.db2.gz VWCBVXLREATVLN-INIZCTEOSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000491821473 526812229 /nfs/dbraw/zinc/81/22/29/526812229.db2.gz VWCBVXLREATVLN-INIZCTEOSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000491814119 526815242 /nfs/dbraw/zinc/81/52/42/526815242.db2.gz CLBXLNZZDVSYDM-UHFFFAOYSA-N 2 1 308.470 1.363 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000491814656 526821367 /nfs/dbraw/zinc/82/13/67/526821367.db2.gz KDQZDZDVUQPJBH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000491814656 526821370 /nfs/dbraw/zinc/82/13/70/526821370.db2.gz KDQZDZDVUQPJBH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000491814656 526821375 /nfs/dbraw/zinc/82/13/75/526821375.db2.gz KDQZDZDVUQPJBH-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980244198 696717032 /nfs/dbraw/zinc/71/70/32/696717032.db2.gz XZMGOMDGKPQDKH-BBWFWOEESA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980244198 696717034 /nfs/dbraw/zinc/71/70/34/696717034.db2.gz XZMGOMDGKPQDKH-BBWFWOEESA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972168207 695168171 /nfs/dbraw/zinc/16/81/71/695168171.db2.gz LNVPFGUEHZTHSL-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972168207 695168173 /nfs/dbraw/zinc/16/81/73/695168173.db2.gz LNVPFGUEHZTHSL-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972168207 695168174 /nfs/dbraw/zinc/16/81/74/695168174.db2.gz LNVPFGUEHZTHSL-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972168207 695168175 /nfs/dbraw/zinc/16/81/75/695168175.db2.gz LNVPFGUEHZTHSL-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972338599 695220756 /nfs/dbraw/zinc/22/07/56/695220756.db2.gz HOPRPTDAWIHPHF-PBHICJAKSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972338599 695220758 /nfs/dbraw/zinc/22/07/58/695220758.db2.gz HOPRPTDAWIHPHF-PBHICJAKSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972338599 695220760 /nfs/dbraw/zinc/22/07/60/695220760.db2.gz HOPRPTDAWIHPHF-PBHICJAKSA-N 2 1 309.429 1.365 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577398 695688694 /nfs/dbraw/zinc/68/86/94/695688694.db2.gz MWFGTNBTBZTTLI-HOTGVXAUSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974743004 695724126 /nfs/dbraw/zinc/72/41/26/695724126.db2.gz QCKJFODEZNQBEF-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974743004 695724127 /nfs/dbraw/zinc/72/41/27/695724127.db2.gz QCKJFODEZNQBEF-HNNXBMFYSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978398139 696376239 /nfs/dbraw/zinc/37/62/39/696376239.db2.gz JPCWOLIETIYXGO-PHZGNYQRSA-N 2 1 303.450 1.485 20 30 DDEDMP CC[NH+]=C(NCC1CCSCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000086884594 696566643 /nfs/dbraw/zinc/56/66/43/696566643.db2.gz MJTAOTTXXDUJHE-AWEZNQCLSA-N 2 1 310.511 1.921 20 30 DDEDMP CC[NH+]=C(NCC1CCSCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000086884594 696566644 /nfs/dbraw/zinc/56/66/44/696566644.db2.gz MJTAOTTXXDUJHE-AWEZNQCLSA-N 2 1 310.511 1.921 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cc(C)ccc1OC ZINC000104157401 696618635 /nfs/dbraw/zinc/61/86/35/696618635.db2.gz UILCDUWJSFJNAQ-INIZCTEOSA-N 2 1 318.465 1.935 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138705 696690454 /nfs/dbraw/zinc/69/04/54/696690454.db2.gz DNWFYHCJAFDGOP-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138705 696690455 /nfs/dbraw/zinc/69/04/55/696690455.db2.gz DNWFYHCJAFDGOP-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981827808 696934409 /nfs/dbraw/zinc/93/44/09/696934409.db2.gz LULCPHCVFUEOGS-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC000982052741 697015554 /nfs/dbraw/zinc/01/55/54/697015554.db2.gz YFJZSMWRQWJCIK-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981153394 697019708 /nfs/dbraw/zinc/01/97/08/697019708.db2.gz YUJAZKVYSNQBCP-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981153394 697019710 /nfs/dbraw/zinc/01/97/10/697019710.db2.gz YUJAZKVYSNQBCP-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981153394 697019712 /nfs/dbraw/zinc/01/97/12/697019712.db2.gz YUJAZKVYSNQBCP-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982301087 697087764 /nfs/dbraw/zinc/08/77/64/697087764.db2.gz GGPNLNZLJJTSDD-YTQUADARSA-N 2 1 319.493 1.766 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982554488 697149639 /nfs/dbraw/zinc/14/96/39/697149639.db2.gz XUMFSNAFURNAOF-KDURUIRLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982554488 697149640 /nfs/dbraw/zinc/14/96/40/697149640.db2.gz XUMFSNAFURNAOF-KDURUIRLSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@]2(C)C1 ZINC000982554488 697149641 /nfs/dbraw/zinc/14/96/41/697149641.db2.gz XUMFSNAFURNAOF-KDURUIRLSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982736107 697174583 /nfs/dbraw/zinc/17/45/83/697174583.db2.gz MMSFIEYOOIFGNG-CALCHBBNSA-N 2 1 303.450 1.439 20 30 DDEDMP CN1CCCc2cc(C=[NH+]NCCC[NH+]3CCOCC3)ccc21 ZINC000799489566 700145565 /nfs/dbraw/zinc/14/55/65/700145565.db2.gz VTACHXXWDIYSNG-UHFFFAOYSA-N 2 1 316.449 1.715 20 30 DDEDMP CN(C)C(NCc1ccccc1)=[NH+]CCC[NH+]1CCOCC1 ZINC000303714490 698605914 /nfs/dbraw/zinc/60/59/14/698605914.db2.gz RLMMXFRCHPMJQG-UHFFFAOYSA-N 2 1 304.438 1.416 20 30 DDEDMP [NH2+]=C(NCc1ccccc1C[NH+]1CCOCC1)NCC1CCC1 ZINC000303781456 698606591 /nfs/dbraw/zinc/60/65/91/698606591.db2.gz MHEJBMPDLVUVRK-UHFFFAOYSA-N 2 1 316.449 1.723 20 30 DDEDMP CC[C@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303899962 698610543 /nfs/dbraw/zinc/61/05/43/698610543.db2.gz RXFSKCJCGRPYRU-QGZVFWFLSA-N 2 1 316.449 1.470 20 30 DDEDMP CC[C@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000303899962 698610544 /nfs/dbraw/zinc/61/05/44/698610544.db2.gz RXFSKCJCGRPYRU-QGZVFWFLSA-N 2 1 316.449 1.470 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H](C)[NH+]1CCCCC1 ZINC000305839800 698658696 /nfs/dbraw/zinc/65/86/96/698658696.db2.gz YQCYKZVSPJBQCV-HZPDHXFCSA-N 3 1 309.502 1.640 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc4c[nH+]cn4c3)CCC[C@H]12 ZINC000991857739 699425091 /nfs/dbraw/zinc/42/50/91/699425091.db2.gz FBEJDDVHDZWJTJ-FUHWJXTLSA-N 2 1 308.385 1.694 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991864321 699427281 /nfs/dbraw/zinc/42/72/81/699427281.db2.gz VDBGVRBKLILDJF-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991864321 699427282 /nfs/dbraw/zinc/42/72/82/699427282.db2.gz VDBGVRBKLILDJF-RDJZCZTQSA-N 2 1 300.406 1.328 20 30 DDEDMP C=CCN1CCN(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000840016503 701914110 /nfs/dbraw/zinc/91/41/10/701914110.db2.gz DIOAIHDBWPLOAK-MRXNPFEDSA-N 2 1 324.469 1.300 20 30 DDEDMP C=CCN1CCN(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000840016503 701914117 /nfs/dbraw/zinc/91/41/17/701914117.db2.gz DIOAIHDBWPLOAK-MRXNPFEDSA-N 2 1 324.469 1.300 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000879575321 706723986 /nfs/dbraw/zinc/72/39/86/706723986.db2.gz JBHLVLWMOXBJCD-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000879575321 706723989 /nfs/dbraw/zinc/72/39/89/706723989.db2.gz JBHLVLWMOXBJCD-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000879575321 706723992 /nfs/dbraw/zinc/72/39/92/706723992.db2.gz JBHLVLWMOXBJCD-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@H]21 ZINC000879575321 706723996 /nfs/dbraw/zinc/72/39/96/706723996.db2.gz JBHLVLWMOXBJCD-NVXWUHKLSA-N 2 1 312.417 1.913 20 30 DDEDMP C=CCC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCCC1 ZINC000849037903 703613841 /nfs/dbraw/zinc/61/38/41/703613841.db2.gz GWXLTNQNFBHDKF-UHFFFAOYSA-N 2 1 308.470 1.959 20 30 DDEDMP Cn1c[nH+]cc1CCON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000853674409 704297234 /nfs/dbraw/zinc/29/72/34/704297234.db2.gz YAOPGWRXSAIEGH-UHFFFAOYSA-N 2 1 301.394 1.361 20 30 DDEDMP C[NH+](C)[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1cccc(Cl)c1 ZINC000834484431 707066744 /nfs/dbraw/zinc/06/67/44/707066744.db2.gz ITVBNWANFMMSDC-XBFCOCLRSA-N 2 1 306.797 1.170 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000876768087 705866919 /nfs/dbraw/zinc/86/69/19/705866919.db2.gz DICAUMAVJPWGOD-CYBMUJFWSA-N 2 1 303.834 1.026 20 30 DDEDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(C#N)cnc2Cl)CC1(C)C ZINC000877498795 706123439 /nfs/dbraw/zinc/12/34/39/706123439.db2.gz JDXVXUHRUYIUIJ-UHFFFAOYSA-N 2 1 321.856 1.722 20 30 DDEDMP C=C(C)CN(CC)C(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784877 707204517 /nfs/dbraw/zinc/20/45/17/707204517.db2.gz JTDZBJSHUDCSNL-GOOCMWNKSA-N 2 1 322.453 1.782 20 30 DDEDMP C=C(C)CN(CC)C(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784877 707204519 /nfs/dbraw/zinc/20/45/19/707204519.db2.gz JTDZBJSHUDCSNL-GOOCMWNKSA-N 2 1 322.453 1.782 20 30 DDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](C)C1 ZINC000884226166 708199229 /nfs/dbraw/zinc/19/92/29/708199229.db2.gz MCUJPURNWGJYCS-GZOJWHRLSA-N 2 1 318.465 1.314 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886030293 708684979 /nfs/dbraw/zinc/68/49/79/708684979.db2.gz ISHMOHOTXULJKY-SJORKVTESA-N 2 1 323.481 1.864 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000900656530 709697847 /nfs/dbraw/zinc/69/78/47/709697847.db2.gz PPAPPXNVYGIYRD-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000890373478 709844419 /nfs/dbraw/zinc/84/44/19/709844419.db2.gz VATRJPOKQHVQJZ-IAGOWNOFSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000890373478 709844423 /nfs/dbraw/zinc/84/44/23/709844423.db2.gz VATRJPOKQHVQJZ-IAGOWNOFSA-N 2 1 318.465 1.354 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000892851753 710512522 /nfs/dbraw/zinc/51/25/22/710512522.db2.gz QBIARIOLXLAHLV-DLBZAZTESA-N 2 1 320.481 1.905 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000914072840 713338323 /nfs/dbraw/zinc/33/83/23/713338323.db2.gz YUOVMNKBPIGLHX-CVEARBPZSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000923170674 714260514 /nfs/dbraw/zinc/26/05/14/714260514.db2.gz LIUBYKFVXWHMDP-OAHLLOKOSA-N 2 1 306.454 1.256 20 30 DDEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923280443 714295902 /nfs/dbraw/zinc/29/59/02/714295902.db2.gz GJLZLKVWRWIFGG-JKSUJKDBSA-N 2 1 320.433 1.444 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000961562187 717004455 /nfs/dbraw/zinc/00/44/55/717004455.db2.gz YYMVFTYBTZMMDG-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961562187 717004456 /nfs/dbraw/zinc/00/44/56/717004456.db2.gz YYMVFTYBTZMMDG-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC000961562187 717004459 /nfs/dbraw/zinc/00/44/59/717004459.db2.gz YYMVFTYBTZMMDG-NCOADZHNSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940914391 717025285 /nfs/dbraw/zinc/02/52/85/717025285.db2.gz MHLFJGSAMJMJIF-SJORKVTESA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000961780898 717206668 /nfs/dbraw/zinc/20/66/68/717206668.db2.gz UCWDONMTBPZMNQ-QLPKVWCKSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000961780898 717206671 /nfs/dbraw/zinc/20/66/71/717206671.db2.gz UCWDONMTBPZMNQ-QLPKVWCKSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000961780898 717206674 /nfs/dbraw/zinc/20/66/74/717206674.db2.gz UCWDONMTBPZMNQ-QLPKVWCKSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000961939890 717255621 /nfs/dbraw/zinc/25/56/21/717255621.db2.gz KCOKCLPZGIDXGL-ABHNRTSZSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC000961939890 717255625 /nfs/dbraw/zinc/25/56/25/717255625.db2.gz KCOKCLPZGIDXGL-ABHNRTSZSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC000942205489 717547292 /nfs/dbraw/zinc/54/72/92/717547292.db2.gz UDFHRSMIEZFDCI-SUMWQHHRSA-N 2 1 310.401 1.716 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCF)CC1 ZINC000963470029 717802385 /nfs/dbraw/zinc/80/23/85/717802385.db2.gz CCWNHZINZZOVLP-GPANFISMSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCF)CC1 ZINC000963470029 717802388 /nfs/dbraw/zinc/80/23/88/717802388.db2.gz CCWNHZINZZOVLP-GPANFISMSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779215 718905811 /nfs/dbraw/zinc/90/58/11/718905811.db2.gz JYBMLWVMKKMXPX-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779215 718905815 /nfs/dbraw/zinc/90/58/15/718905815.db2.gz JYBMLWVMKKMXPX-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779215 718905819 /nfs/dbraw/zinc/90/58/19/718905819.db2.gz JYBMLWVMKKMXPX-YESZJQIVSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000948775721 719701493 /nfs/dbraw/zinc/70/14/93/719701493.db2.gz PIAFRWLNFDUCMK-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775721 719701497 /nfs/dbraw/zinc/70/14/97/719701497.db2.gz PIAFRWLNFDUCMK-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC000948775721 719701500 /nfs/dbraw/zinc/70/15/00/719701500.db2.gz PIAFRWLNFDUCMK-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000949470860 720110106 /nfs/dbraw/zinc/11/01/06/720110106.db2.gz MQFVXELSJWZLQX-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)C1 ZINC000949470860 720110110 /nfs/dbraw/zinc/11/01/10/720110110.db2.gz MQFVXELSJWZLQX-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949470860 720110114 /nfs/dbraw/zinc/11/01/14/720110114.db2.gz MQFVXELSJWZLQX-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)C1 ZINC000949470860 720110117 /nfs/dbraw/zinc/11/01/17/720110117.db2.gz MQFVXELSJWZLQX-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000970214955 720665231 /nfs/dbraw/zinc/66/52/31/720665231.db2.gz VMMMQZQVWXZXLH-OAHLLOKOSA-N 2 1 313.445 1.474 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970654383 720871469 /nfs/dbraw/zinc/87/14/69/720871469.db2.gz JTEPRHOZSWVHHG-AWEZNQCLSA-N 2 1 323.400 1.341 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001023758391 735442938 /nfs/dbraw/zinc/44/29/38/735442938.db2.gz VPEQBUWHNWTDMR-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001023758391 735442939 /nfs/dbraw/zinc/44/29/39/735442939.db2.gz VPEQBUWHNWTDMR-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023758391 735442940 /nfs/dbraw/zinc/44/29/40/735442940.db2.gz VPEQBUWHNWTDMR-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001023758391 735442941 /nfs/dbraw/zinc/44/29/41/735442941.db2.gz VPEQBUWHNWTDMR-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529780 738661184 /nfs/dbraw/zinc/66/11/84/738661184.db2.gz OVCVKPNHFCFXDP-LNLFQRSKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294376 733298084 /nfs/dbraw/zinc/29/80/84/733298084.db2.gz MJWAIJCFOPZWDV-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3ccnc3)[C@H]2C1 ZINC001083209750 733391980 /nfs/dbraw/zinc/39/19/80/733391980.db2.gz VCUYSUFYUIMTCL-OWCLPIDISA-N 2 1 318.421 1.322 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC)C1 ZINC001104306020 733420634 /nfs/dbraw/zinc/42/06/34/733420634.db2.gz GLSVUEGEXKWPOS-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCC)C1 ZINC001104306020 733420637 /nfs/dbraw/zinc/42/06/37/733420637.db2.gz GLSVUEGEXKWPOS-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001027931085 738827466 /nfs/dbraw/zinc/82/74/66/738827466.db2.gz YBPVCYSRRRVGMZ-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001027931085 738827470 /nfs/dbraw/zinc/82/74/70/738827470.db2.gz YBPVCYSRRRVGMZ-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001027931085 738827475 /nfs/dbraw/zinc/82/74/75/738827475.db2.gz YBPVCYSRRRVGMZ-IAGOWNOFSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001038271657 735204361 /nfs/dbraw/zinc/20/43/61/735204361.db2.gz FGQZEVSFJIXVPX-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCCN1CC[C@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001038271657 735204362 /nfs/dbraw/zinc/20/43/62/735204362.db2.gz FGQZEVSFJIXVPX-XJKSGUPXSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001023466907 735254632 /nfs/dbraw/zinc/25/46/32/735254632.db2.gz QQGIXNYILODNMW-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001024486715 735864077 /nfs/dbraw/zinc/86/40/77/735864077.db2.gz GUCNHIMEJYSDCZ-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001024987316 736215810 /nfs/dbraw/zinc/21/58/10/736215810.db2.gz IEKZSUGEZZVBLY-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001024987316 736215815 /nfs/dbraw/zinc/21/58/15/736215815.db2.gz IEKZSUGEZZVBLY-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001025239629 736386470 /nfs/dbraw/zinc/38/64/70/736386470.db2.gz HANKBRCZTAWXDY-IAGOWNOFSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025601023 736777634 /nfs/dbraw/zinc/77/76/34/736777634.db2.gz QMWKXNCCXQJTMB-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027547116 738394828 /nfs/dbraw/zinc/39/48/28/738394828.db2.gz WHVBMYQJSWREER-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027547116 738394832 /nfs/dbraw/zinc/39/48/32/738394832.db2.gz WHVBMYQJSWREER-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 ZINC001027979646 738901460 /nfs/dbraw/zinc/90/14/60/738901460.db2.gz GGMOUVOXVKLBQZ-HUUCEWRRSA-N 2 1 314.433 1.427 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099988 739034889 /nfs/dbraw/zinc/03/48/89/739034889.db2.gz DLAQYJBYPVGDPM-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099988 739034892 /nfs/dbraw/zinc/03/48/92/739034892.db2.gz DLAQYJBYPVGDPM-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138677 739080905 /nfs/dbraw/zinc/08/09/05/739080905.db2.gz VZTFNGSPHNGRJH-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138677 739080908 /nfs/dbraw/zinc/08/09/08/739080908.db2.gz VZTFNGSPHNGRJH-CABCVRRESA-N 2 1 302.422 1.521 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028573931 739671559 /nfs/dbraw/zinc/67/15/59/739671559.db2.gz XNLSXBLIBOEANF-CQSZACIVSA-N 2 1 319.474 1.885 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001028755851 739996129 /nfs/dbraw/zinc/99/61/29/739996129.db2.gz UMZIUSPKFWQHIL-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001028755851 739996133 /nfs/dbraw/zinc/99/61/33/739996133.db2.gz UMZIUSPKFWQHIL-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001028755851 739996134 /nfs/dbraw/zinc/99/61/34/739996134.db2.gz UMZIUSPKFWQHIL-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C1 ZINC001028811728 740070522 /nfs/dbraw/zinc/07/05/22/740070522.db2.gz QGRCJQNZBQHHFU-RRFJBIMHSA-N 2 1 302.422 1.538 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1CC ZINC001037925996 751566707 /nfs/dbraw/zinc/56/67/07/751566707.db2.gz LIBMZDGTQJUCIA-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630400 740683778 /nfs/dbraw/zinc/68/37/78/740683778.db2.gz HXPVIEOGYFWKHT-HRCADAONSA-N 2 1 316.449 1.991 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671603 740702565 /nfs/dbraw/zinc/70/25/65/740702565.db2.gz GUGXNSDNFUUYKU-GVDBMIGSSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC000998193391 751582319 /nfs/dbraw/zinc/58/23/19/751582319.db2.gz ZMIGJVKDJSVBPC-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998193391 751582323 /nfs/dbraw/zinc/58/23/23/751582323.db2.gz ZMIGJVKDJSVBPC-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998193391 751582328 /nfs/dbraw/zinc/58/23/28/751582328.db2.gz ZMIGJVKDJSVBPC-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3cnc[nH]3)[C@@H]2C1 ZINC001075866727 741362576 /nfs/dbraw/zinc/36/25/76/741362576.db2.gz PNQSCCVTTFMWMF-GOEBONIOSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001088324861 741386929 /nfs/dbraw/zinc/38/69/29/741386929.db2.gz BOTAALQWLDCOEA-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001088329642 741393540 /nfs/dbraw/zinc/39/35/40/741393540.db2.gz CTNYSGGOTULIEA-RRFJBIMHSA-N 2 1 300.406 1.507 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001088430079 741488630 /nfs/dbraw/zinc/48/86/30/741488630.db2.gz HGWMYSHHKGZZTN-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001076086189 742528340 /nfs/dbraw/zinc/52/83/40/742528340.db2.gz SJVVIOUWKQGHTR-BBWFWOEESA-N 2 1 303.450 1.580 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904432 743386247 /nfs/dbraw/zinc/38/62/47/743386247.db2.gz SQFWJUXTWIILFT-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001182345872 743576928 /nfs/dbraw/zinc/57/69/28/743576928.db2.gz HMUHKEQHWUTQOZ-ZHALLVOQSA-N 2 1 319.493 1.816 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1 ZINC001127066555 743696573 /nfs/dbraw/zinc/69/65/73/743696573.db2.gz PXTZCDUGOXZOFW-GOSISDBHSA-N 2 1 313.445 1.617 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183241004 743807992 /nfs/dbraw/zinc/80/79/92/743807992.db2.gz YMYAHLLMLBHWDM-DLBZAZTESA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001183398540 743832210 /nfs/dbraw/zinc/83/22/10/743832210.db2.gz FODXWNQWRYSVEA-RHSMWYFYSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001184608949 744071084 /nfs/dbraw/zinc/07/10/84/744071084.db2.gz FUTBQAKDYUAATF-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185681912 744266548 /nfs/dbraw/zinc/26/65/48/744266548.db2.gz NILPSMQACJSYFL-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC12CCOCC2 ZINC001186311444 744379974 /nfs/dbraw/zinc/37/99/74/744379974.db2.gz TUAOOUXXYBHJQV-HOTGVXAUSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142129 744630392 /nfs/dbraw/zinc/63/03/92/744630392.db2.gz YHTJJKIVTVBBCU-NBOOPKSLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142129 744630394 /nfs/dbraw/zinc/63/03/94/744630394.db2.gz YHTJJKIVTVBBCU-NBOOPKSLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC000992142129 744630396 /nfs/dbraw/zinc/63/03/96/744630396.db2.gz YHTJJKIVTVBBCU-NBOOPKSLSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185752 744671294 /nfs/dbraw/zinc/67/12/94/744671294.db2.gz CNNHLDQXSNPXNM-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185752 744671297 /nfs/dbraw/zinc/67/12/97/744671297.db2.gz CNNHLDQXSNPXNM-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@H]12 ZINC000992185752 744671300 /nfs/dbraw/zinc/67/13/00/744671300.db2.gz CNNHLDQXSNPXNM-XYJFISCASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992347373 744812803 /nfs/dbraw/zinc/81/28/03/744812803.db2.gz CNBLCAAGLQFKAI-MJGOQNOKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC000992347373 744812805 /nfs/dbraw/zinc/81/28/05/744812805.db2.gz CNBLCAAGLQFKAI-MJGOQNOKSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030988046 745030389 /nfs/dbraw/zinc/03/03/89/745030389.db2.gz WKMOZPDEOMOOLI-MSOLQXFVSA-N 2 1 313.445 1.708 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001030988046 745030397 /nfs/dbraw/zinc/03/03/97/745030397.db2.gz WKMOZPDEOMOOLI-MSOLQXFVSA-N 2 1 313.445 1.708 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(=C)C)[C@H](C)C1 ZINC001106266749 745499374 /nfs/dbraw/zinc/49/93/74/745499374.db2.gz ZZNTWGAJJKJIBW-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC(=C)C)[C@H](C)C1 ZINC001106266749 745499378 /nfs/dbraw/zinc/49/93/78/745499378.db2.gz ZZNTWGAJJKJIBW-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322085 745602051 /nfs/dbraw/zinc/60/20/51/745602051.db2.gz IVRDWCKYOCNPPT-YUELXQCFSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355301 745765752 /nfs/dbraw/zinc/76/57/52/745765752.db2.gz QPWWQBOKFQBXLS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192355301 745765742 /nfs/dbraw/zinc/76/57/42/745765742.db2.gz QPWWQBOKFQBXLS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355301 745765746 /nfs/dbraw/zinc/76/57/46/745765746.db2.gz QPWWQBOKFQBXLS-HOTGVXAUSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192434333 745781726 /nfs/dbraw/zinc/78/17/26/745781726.db2.gz CHRNQUGNAWSRRC-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001192436127 745790716 /nfs/dbraw/zinc/79/07/16/745790716.db2.gz TXJFZLGWDDOKRC-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577477 745807357 /nfs/dbraw/zinc/80/73/57/745807357.db2.gz JZAANYMXHWBNBW-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577477 745807360 /nfs/dbraw/zinc/80/73/60/745807360.db2.gz JZAANYMXHWBNBW-ZACQAIPSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666686 745886005 /nfs/dbraw/zinc/88/60/05/745886005.db2.gz QRPFMCMRZJFLHQ-GZBFAFLISA-N 2 1 313.873 1.765 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001194245488 746318985 /nfs/dbraw/zinc/31/89/85/746318985.db2.gz AYWPEANJQQBBNV-KZJSRBBCSA-N 2 1 323.868 1.617 20 30 DDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194997891 746508734 /nfs/dbraw/zinc/50/87/34/746508734.db2.gz UPNUJJPOIZFESA-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997891 746508737 /nfs/dbraw/zinc/50/87/37/746508737.db2.gz UPNUJJPOIZFESA-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194997891 746508741 /nfs/dbraw/zinc/50/87/41/746508741.db2.gz UPNUJJPOIZFESA-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001003056330 746946393 /nfs/dbraw/zinc/94/63/93/746946393.db2.gz PJEMQTOAKXYDIS-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCC2CC2)CC1 ZINC001003056330 746946396 /nfs/dbraw/zinc/94/63/96/746946396.db2.gz PJEMQTOAKXYDIS-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058126 747039522 /nfs/dbraw/zinc/03/95/22/747039522.db2.gz OWPOUQSHBIWHLG-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089538239 747176782 /nfs/dbraw/zinc/17/67/82/747176782.db2.gz VOCXGUYGDDXWHN-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089538239 747176786 /nfs/dbraw/zinc/17/67/86/747176786.db2.gz VOCXGUYGDDXWHN-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089538239 747176792 /nfs/dbraw/zinc/17/67/92/747176792.db2.gz VOCXGUYGDDXWHN-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197831943 747272018 /nfs/dbraw/zinc/27/20/18/747272018.db2.gz FWMBYFJPXXFIAG-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007497564 752175780 /nfs/dbraw/zinc/17/57/80/752175780.db2.gz DEZKYKARHSLPSO-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007497564 752175787 /nfs/dbraw/zinc/17/57/87/752175787.db2.gz DEZKYKARHSLPSO-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007497564 752175794 /nfs/dbraw/zinc/17/57/94/752175794.db2.gz DEZKYKARHSLPSO-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1OC ZINC001198992536 747677112 /nfs/dbraw/zinc/67/71/12/747677112.db2.gz CEGSZSCEJXKISR-INIZCTEOSA-N 2 1 319.449 1.968 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CC[NH+](C)CC1 ZINC001089849381 748063487 /nfs/dbraw/zinc/06/34/87/748063487.db2.gz CUEPMUVDZMEKGO-MLHJIOFPSA-N 2 1 315.461 1.130 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127689957 748188034 /nfs/dbraw/zinc/18/80/34/748188034.db2.gz DFVYSXGNBYVXHA-NWDGAFQWSA-N 2 1 318.259 1.331 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080162 748221706 /nfs/dbraw/zinc/22/17/06/748221706.db2.gz DJSGRYRVEQAFMT-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537896 748271433 /nfs/dbraw/zinc/27/14/33/748271433.db2.gz VEZWUAXPNBEQKT-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001004376615 748383290 /nfs/dbraw/zinc/38/32/90/748383290.db2.gz WEAILHODZBDXGW-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001004376615 748383297 /nfs/dbraw/zinc/38/32/97/748383297.db2.gz WEAILHODZBDXGW-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001004376615 748383304 /nfs/dbraw/zinc/38/33/04/748383304.db2.gz WEAILHODZBDXGW-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP COCC#CC[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001201119065 748416872 /nfs/dbraw/zinc/41/68/72/748416872.db2.gz ZYQCSYMKDCNAFR-QGZVFWFLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004598115 748577345 /nfs/dbraw/zinc/57/73/45/748577345.db2.gz UEUQUVFNPYQEEN-WMZOPIPTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004598115 748577351 /nfs/dbraw/zinc/57/73/51/748577351.db2.gz UEUQUVFNPYQEEN-WMZOPIPTSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004598115 748577357 /nfs/dbraw/zinc/57/73/57/748577357.db2.gz UEUQUVFNPYQEEN-WMZOPIPTSA-N 2 1 317.477 1.664 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC#Cc1ccccc1Cl ZINC001124872923 748578353 /nfs/dbraw/zinc/57/83/53/748578353.db2.gz PFPYLKWSVYAADC-INIZCTEOSA-N 2 1 319.836 1.492 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153660 748649766 /nfs/dbraw/zinc/64/97/66/748649766.db2.gz WXQRZECDMOEIOL-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153660 748649770 /nfs/dbraw/zinc/64/97/70/748649770.db2.gz WXQRZECDMOEIOL-HUUCEWRRSA-N 2 1 300.406 1.317 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001107009534 748668105 /nfs/dbraw/zinc/66/81/05/748668105.db2.gz UPEYXQNUCHKYLE-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001107009534 748668110 /nfs/dbraw/zinc/66/81/10/748668110.db2.gz UPEYXQNUCHKYLE-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110750324 748979107 /nfs/dbraw/zinc/97/91/07/748979107.db2.gz GQKSOGOCCGBYQA-ZACQAIPSSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C2 ZINC001110750324 748979108 /nfs/dbraw/zinc/97/91/08/748979108.db2.gz GQKSOGOCCGBYQA-ZACQAIPSSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)C1CCCC1)C2 ZINC001110750324 748979115 /nfs/dbraw/zinc/97/91/15/748979115.db2.gz GQKSOGOCCGBYQA-ZACQAIPSSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110750324 748979118 /nfs/dbraw/zinc/97/91/18/748979118.db2.gz GQKSOGOCCGBYQA-ZACQAIPSSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001110750324 748979123 /nfs/dbraw/zinc/97/91/23/748979123.db2.gz GQKSOGOCCGBYQA-ZACQAIPSSA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001039298493 761918418 /nfs/dbraw/zinc/91/84/18/761918418.db2.gz ZFZCWXQMHOCXPT-MGNMYUMUSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033471670 749381331 /nfs/dbraw/zinc/38/13/31/749381331.db2.gz NRFOBJZOEIJVBU-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001033471670 749381334 /nfs/dbraw/zinc/38/13/34/749381334.db2.gz NRFOBJZOEIJVBU-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001033471670 749381340 /nfs/dbraw/zinc/38/13/40/749381340.db2.gz NRFOBJZOEIJVBU-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001033471670 749381348 /nfs/dbraw/zinc/38/13/48/749381348.db2.gz NRFOBJZOEIJVBU-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001108342907 761958600 /nfs/dbraw/zinc/95/86/00/761958600.db2.gz KLLNACKFXDIAJG-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108342907 761958602 /nfs/dbraw/zinc/95/86/02/761958602.db2.gz KLLNACKFXDIAJG-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108342907 761958605 /nfs/dbraw/zinc/95/86/05/761958605.db2.gz KLLNACKFXDIAJG-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108342907 761958608 /nfs/dbraw/zinc/95/86/08/761958608.db2.gz KLLNACKFXDIAJG-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518994 749651903 /nfs/dbraw/zinc/65/19/03/749651903.db2.gz MBFDLZQYHCKSQI-KBPBESRZSA-N 2 1 313.873 1.907 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)CCc3ncc[nH]3)CCC[C@@H]12 ZINC001107386235 749889367 /nfs/dbraw/zinc/88/93/67/749889367.db2.gz KRUKARIHAYGLHK-RHSMWYFYSA-N 2 1 300.406 1.336 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039405563 762004409 /nfs/dbraw/zinc/00/44/09/762004409.db2.gz AEYRXKJHPTWVAR-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001039405563 762004415 /nfs/dbraw/zinc/00/44/15/762004415.db2.gz AEYRXKJHPTWVAR-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039435169 762030419 /nfs/dbraw/zinc/03/04/19/762030419.db2.gz VZOPSUPFNLRUHB-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039435169 762030431 /nfs/dbraw/zinc/03/04/31/762030431.db2.gz VZOPSUPFNLRUHB-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039435169 762030440 /nfs/dbraw/zinc/03/04/40/762030440.db2.gz VZOPSUPFNLRUHB-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111161614 750398322 /nfs/dbraw/zinc/39/83/22/750398322.db2.gz SZPFSUIANJYVPY-WCXIOVBPSA-N 2 1 305.466 1.708 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C2 ZINC001111161614 750398325 /nfs/dbraw/zinc/39/83/25/750398325.db2.gz SZPFSUIANJYVPY-WCXIOVBPSA-N 2 1 305.466 1.708 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114563730 750735690 /nfs/dbraw/zinc/73/56/90/750735690.db2.gz YVRYINNXKJCYBF-UTXMOHQDSA-N 2 1 302.422 1.593 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c[nH+]cc1C ZINC001114563730 750735693 /nfs/dbraw/zinc/73/56/93/750735693.db2.gz YVRYINNXKJCYBF-UTXMOHQDSA-N 2 1 302.422 1.593 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC2(CCOCC2)C1 ZINC001099594915 750823331 /nfs/dbraw/zinc/82/33/31/750823331.db2.gz NUJGFBFSRBLPJF-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC2(CCOCC2)C1 ZINC001099594915 750823340 /nfs/dbraw/zinc/82/33/40/750823340.db2.gz NUJGFBFSRBLPJF-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC2(CCOCC2)C1 ZINC001099594915 750823345 /nfs/dbraw/zinc/82/33/45/750823345.db2.gz NUJGFBFSRBLPJF-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095903715 751215113 /nfs/dbraw/zinc/21/51/13/751215113.db2.gz IOQCOQMKZGVORS-BDXSIMOUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903715 751215115 /nfs/dbraw/zinc/21/51/15/751215115.db2.gz IOQCOQMKZGVORS-BDXSIMOUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095903715 751215118 /nfs/dbraw/zinc/21/51/18/751215118.db2.gz IOQCOQMKZGVORS-BDXSIMOUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](CC)C2)CC1 ZINC001035194760 751294458 /nfs/dbraw/zinc/29/44/58/751294458.db2.gz BMEOCPHOAPSZHI-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](CC)C2)CC1 ZINC001035194760 751294460 /nfs/dbraw/zinc/29/44/60/751294460.db2.gz BMEOCPHOAPSZHI-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC)C2)CC1 ZINC001035194760 751294466 /nfs/dbraw/zinc/29/44/66/751294466.db2.gz BMEOCPHOAPSZHI-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](CC)C2)CC1 ZINC001035194760 751294471 /nfs/dbraw/zinc/29/44/71/751294471.db2.gz BMEOCPHOAPSZHI-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000999350712 752854185 /nfs/dbraw/zinc/85/41/85/752854185.db2.gz AKUGMDRQRFGQCV-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009145239 753087119 /nfs/dbraw/zinc/08/71/19/753087119.db2.gz MGDAZOSZWZVICJ-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000777817 762191049 /nfs/dbraw/zinc/19/10/49/762191049.db2.gz QRJLRLQTKTVJES-HNNXBMFYSA-N 2 1 300.406 1.695 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001000777817 762191054 /nfs/dbraw/zinc/19/10/54/762191054.db2.gz QRJLRLQTKTVJES-HNNXBMFYSA-N 2 1 300.406 1.695 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001107997374 753390457 /nfs/dbraw/zinc/39/04/57/753390457.db2.gz XTOALNWVNQMDTR-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997374 753390462 /nfs/dbraw/zinc/39/04/62/753390462.db2.gz XTOALNWVNQMDTR-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001107997374 753390463 /nfs/dbraw/zinc/39/04/63/753390463.db2.gz XTOALNWVNQMDTR-GOSISDBHSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001006120741 753616906 /nfs/dbraw/zinc/61/69/06/753616906.db2.gz RDXMSRNRXWIZOE-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001001835642 754531568 /nfs/dbraw/zinc/53/15/68/754531568.db2.gz YSWTXJLUFJRKBL-MRXNPFEDSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081226428 756238641 /nfs/dbraw/zinc/23/86/41/756238641.db2.gz BLVPEWQVDUXLIU-FGTMMUONSA-N 2 1 311.429 1.156 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015694882 756471549 /nfs/dbraw/zinc/47/15/49/756471549.db2.gz CNQACMFDICGPNJ-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015694882 756471554 /nfs/dbraw/zinc/47/15/54/756471554.db2.gz CNQACMFDICGPNJ-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015694882 756471555 /nfs/dbraw/zinc/47/15/55/756471555.db2.gz CNQACMFDICGPNJ-WMLDXEAASA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015696169 756472442 /nfs/dbraw/zinc/47/24/42/756472442.db2.gz WFJIFNNHOVOLOV-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015696169 756472444 /nfs/dbraw/zinc/47/24/44/756472444.db2.gz WFJIFNNHOVOLOV-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015696169 756472446 /nfs/dbraw/zinc/47/24/46/756472446.db2.gz WFJIFNNHOVOLOV-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016974245 757523051 /nfs/dbraw/zinc/52/30/51/757523051.db2.gz KVNPWAYHGIUOFB-OAHLLOKOSA-N 2 1 300.406 1.186 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)[C@@H]2C1 ZINC001084388676 757548564 /nfs/dbraw/zinc/54/85/64/757548564.db2.gz AFPLFSVYBDIHDE-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084388676 757548568 /nfs/dbraw/zinc/54/85/68/757548568.db2.gz AFPLFSVYBDIHDE-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)[C@@H]2C1 ZINC001084388676 757548572 /nfs/dbraw/zinc/54/85/72/757548572.db2.gz AFPLFSVYBDIHDE-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545660 757654971 /nfs/dbraw/zinc/65/49/71/757654971.db2.gz SUGVXPUEDJIZCL-BRWVUGGUSA-N 2 1 303.450 1.580 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572092 757670739 /nfs/dbraw/zinc/67/07/39/757670739.db2.gz UGXYQKRUJLOMRR-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545926 762588213 /nfs/dbraw/zinc/58/82/13/762588213.db2.gz YPVSDXRQNCUMCC-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545926 762588217 /nfs/dbraw/zinc/58/82/17/762588217.db2.gz YPVSDXRQNCUMCC-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545926 762588221 /nfs/dbraw/zinc/58/82/21/762588221.db2.gz YPVSDXRQNCUMCC-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001052952080 758001554 /nfs/dbraw/zinc/00/15/54/758001554.db2.gz BTOCUQPKVSNQBC-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001052957652 758011357 /nfs/dbraw/zinc/01/13/57/758011357.db2.gz IIBVNNAFABRENB-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550138 758017413 /nfs/dbraw/zinc/01/74/13/758017413.db2.gz RPAKDSOMAUQXKV-VQHPVUNQSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550138 758017419 /nfs/dbraw/zinc/01/74/19/758017419.db2.gz RPAKDSOMAUQXKV-VQHPVUNQSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC001017550138 758017426 /nfs/dbraw/zinc/01/74/26/758017426.db2.gz RPAKDSOMAUQXKV-VQHPVUNQSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001017550138 758017433 /nfs/dbraw/zinc/01/74/33/758017433.db2.gz RPAKDSOMAUQXKV-VQHPVUNQSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001017550138 758017437 /nfs/dbraw/zinc/01/74/37/758017437.db2.gz RPAKDSOMAUQXKV-VQHPVUNQSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938820 758081569 /nfs/dbraw/zinc/08/15/69/758081569.db2.gz GPVYXLWOLHJMST-ZACQAIPSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938820 758081575 /nfs/dbraw/zinc/08/15/75/758081575.db2.gz GPVYXLWOLHJMST-ZACQAIPSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938820 758081581 /nfs/dbraw/zinc/08/15/81/758081581.db2.gz GPVYXLWOLHJMST-ZACQAIPSSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C1CC1)[NH+](C)C)CCO2 ZINC001053287381 758342058 /nfs/dbraw/zinc/34/20/58/758342058.db2.gz WDCAMGSLBIVZFK-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141776 759217054 /nfs/dbraw/zinc/21/70/54/759217054.db2.gz PHMJLLYFCFIOQF-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141776 759217057 /nfs/dbraw/zinc/21/70/57/759217057.db2.gz PHMJLLYFCFIOQF-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141776 759217064 /nfs/dbraw/zinc/21/70/64/759217064.db2.gz PHMJLLYFCFIOQF-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001054197930 759283721 /nfs/dbraw/zinc/28/37/21/759283721.db2.gz LXPXVQHMRMDAMD-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197930 759283728 /nfs/dbraw/zinc/28/37/28/759283728.db2.gz LXPXVQHMRMDAMD-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001054197930 759283731 /nfs/dbraw/zinc/28/37/31/759283731.db2.gz LXPXVQHMRMDAMD-FUHWJXTLSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCC2)CC1 ZINC001085986794 760657493 /nfs/dbraw/zinc/65/74/93/760657493.db2.gz NDJBCCZKISBARV-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001006294589 761297669 /nfs/dbraw/zinc/29/76/69/761297669.db2.gz BNXVRPILCHYSHP-UHFFFAOYSA-N 2 1 302.422 1.870 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001039006764 761639722 /nfs/dbraw/zinc/63/97/22/761639722.db2.gz OGNWGIXEZGUBQC-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC001039006764 761639724 /nfs/dbraw/zinc/63/97/24/761639724.db2.gz OGNWGIXEZGUBQC-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C#N)cc2)C1 ZINC001039006764 761639726 /nfs/dbraw/zinc/63/97/26/761639726.db2.gz OGNWGIXEZGUBQC-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC001039006764 761639728 /nfs/dbraw/zinc/63/97/28/761639728.db2.gz OGNWGIXEZGUBQC-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039073038 761712616 /nfs/dbraw/zinc/71/26/16/761712616.db2.gz JFKYURHFEJUHIX-HNNXBMFYSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001039073038 761712623 /nfs/dbraw/zinc/71/26/23/761712623.db2.gz JFKYURHFEJUHIX-HNNXBMFYSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848270 762704214 /nfs/dbraw/zinc/70/42/14/762704214.db2.gz HHDQHYFYZCJSKS-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041302402 762946229 /nfs/dbraw/zinc/94/62/29/762946229.db2.gz WIRQJRQDCFIEJT-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041302402 762946232 /nfs/dbraw/zinc/94/62/32/762946232.db2.gz WIRQJRQDCFIEJT-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041302402 762946240 /nfs/dbraw/zinc/94/62/40/762946240.db2.gz WIRQJRQDCFIEJT-JFIYKMOQSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041411995 763011461 /nfs/dbraw/zinc/01/14/61/763011461.db2.gz DGUMTTUBGNBSTK-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041411995 763011465 /nfs/dbraw/zinc/01/14/65/763011465.db2.gz DGUMTTUBGNBSTK-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001041411995 763011470 /nfs/dbraw/zinc/01/14/70/763011470.db2.gz DGUMTTUBGNBSTK-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844577 763401837 /nfs/dbraw/zinc/40/18/37/763401837.db2.gz LKKVEKOBWQMZPZ-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001050575791 763770484 /nfs/dbraw/zinc/77/04/84/763770484.db2.gz HJSLAOCVCXYGCG-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042256715 763828777 /nfs/dbraw/zinc/82/87/77/763828777.db2.gz YWRJOQWUVJAATJ-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]21 ZINC001042316709 763908682 /nfs/dbraw/zinc/90/86/82/763908682.db2.gz RIZMOKRQXZSWLP-YOEHRIQHSA-N 2 1 312.417 1.317 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042354370 763955191 /nfs/dbraw/zinc/95/51/91/763955191.db2.gz FRNBQVRELKJHLC-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042354370 763955194 /nfs/dbraw/zinc/95/51/94/763955194.db2.gz FRNBQVRELKJHLC-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H](O)C1 ZINC001100140820 764381156 /nfs/dbraw/zinc/38/11/56/764381156.db2.gz DLXSSFYKAJFCNH-DLBZAZTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578207 764421803 /nfs/dbraw/zinc/42/18/03/764421803.db2.gz DBVHRMYYYINRAN-RYRKJORJSA-N 2 1 305.466 1.733 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001098462234 764874679 /nfs/dbraw/zinc/87/46/79/764874679.db2.gz JOZYPXJOLSROJQ-UHFFFAOYSA-N 2 1 311.470 1.190 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001112854897 764882538 /nfs/dbraw/zinc/88/25/38/764882538.db2.gz BOQMLEMYRZLDRQ-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447851 765838374 /nfs/dbraw/zinc/83/83/74/765838374.db2.gz NQZMAQRBTISKAI-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447851 765838381 /nfs/dbraw/zinc/83/83/81/765838381.db2.gz NQZMAQRBTISKAI-HZPDHXFCSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653235 766039485 /nfs/dbraw/zinc/03/94/85/766039485.db2.gz JDYGMXBJYHRDAT-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653235 766039492 /nfs/dbraw/zinc/03/94/92/766039492.db2.gz JDYGMXBJYHRDAT-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653235 766039500 /nfs/dbraw/zinc/03/95/00/766039500.db2.gz JDYGMXBJYHRDAT-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653235 766039506 /nfs/dbraw/zinc/03/95/06/766039506.db2.gz JDYGMXBJYHRDAT-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662137 766050163 /nfs/dbraw/zinc/05/01/63/766050163.db2.gz FYQPADOSUDRJHI-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001052662137 766050168 /nfs/dbraw/zinc/05/01/68/766050168.db2.gz FYQPADOSUDRJHI-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001045538957 766388061 /nfs/dbraw/zinc/38/80/61/766388061.db2.gz QSUCFKTYVPVRDP-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045922065 766703314 /nfs/dbraw/zinc/70/33/14/766703314.db2.gz YAZJIJUSTGPNAQ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045922065 766703322 /nfs/dbraw/zinc/70/33/22/766703322.db2.gz YAZJIJUSTGPNAQ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045922065 766703331 /nfs/dbraw/zinc/70/33/31/766703331.db2.gz YAZJIJUSTGPNAQ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045983455 766760155 /nfs/dbraw/zinc/76/01/55/766760155.db2.gz NSVNKOZQTDYMIJ-IBGZPJMESA-N 2 1 317.477 1.810 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114303874 766867457 /nfs/dbraw/zinc/86/74/57/766867457.db2.gz GQNZCKFEJHPOLN-SZOQZIPDSA-N 2 1 300.406 1.076 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001114303874 766867466 /nfs/dbraw/zinc/86/74/66/766867466.db2.gz GQNZCKFEJHPOLN-SZOQZIPDSA-N 2 1 300.406 1.076 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1C ZINC001129770099 766998317 /nfs/dbraw/zinc/99/83/17/766998317.db2.gz AISJAYZYNNISFY-KRWDZBQOSA-N 2 1 317.408 1.438 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)cc1C ZINC001129770099 766998325 /nfs/dbraw/zinc/99/83/25/766998325.db2.gz AISJAYZYNNISFY-KRWDZBQOSA-N 2 1 317.408 1.438 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(F)c1 ZINC001129770113 766998576 /nfs/dbraw/zinc/99/85/76/766998576.db2.gz AZKUKBZVLGCADT-INIZCTEOSA-N 2 1 303.381 1.129 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(F)c1 ZINC001129770113 766998584 /nfs/dbraw/zinc/99/85/84/766998584.db2.gz AZKUKBZVLGCADT-INIZCTEOSA-N 2 1 303.381 1.129 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613781 767739378 /nfs/dbraw/zinc/73/93/78/767739378.db2.gz GKNROQGEJCAUQQ-YJBOKZPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613781 767739383 /nfs/dbraw/zinc/73/93/83/767739383.db2.gz GKNROQGEJCAUQQ-YJBOKZPZSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406471 768809497 /nfs/dbraw/zinc/80/94/97/768809497.db2.gz JQRVFYZWDAVBAT-CVEARBPZSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132425919 768841469 /nfs/dbraw/zinc/84/14/69/768841469.db2.gz OWQBLKRYKSJNJX-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132494257 768927073 /nfs/dbraw/zinc/92/70/73/768927073.db2.gz QDIQMEDDHZWCKU-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048872063 770027646 /nfs/dbraw/zinc/02/76/46/770027646.db2.gz VLPVYVJRAPSLSY-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872063 770027662 /nfs/dbraw/zinc/02/76/62/770027662.db2.gz VLPVYVJRAPSLSY-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048872063 770027673 /nfs/dbraw/zinc/02/76/73/770027673.db2.gz VLPVYVJRAPSLSY-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891678 770062727 /nfs/dbraw/zinc/06/27/27/770062727.db2.gz UGIIGOFIIMQUMZ-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891678 770062737 /nfs/dbraw/zinc/06/27/37/770062737.db2.gz UGIIGOFIIMQUMZ-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891678 770062746 /nfs/dbraw/zinc/06/27/46/770062746.db2.gz UGIIGOFIIMQUMZ-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@H]2C1 ZINC001048891678 770062762 /nfs/dbraw/zinc/06/27/62/770062762.db2.gz UGIIGOFIIMQUMZ-WCXIOVBPSA-N 2 1 321.465 1.062 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071871703 770204831 /nfs/dbraw/zinc/20/48/31/770204831.db2.gz JQFRAAREFSKKIS-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C[C@H]2C1 ZINC001049000791 770231112 /nfs/dbraw/zinc/23/11/12/770231112.db2.gz HJGHMPNCQBEUIJ-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049000791 770231120 /nfs/dbraw/zinc/23/11/20/770231120.db2.gz HJGHMPNCQBEUIJ-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C[C@H]2C1 ZINC001049000791 770231127 /nfs/dbraw/zinc/23/11/27/770231127.db2.gz HJGHMPNCQBEUIJ-ZACQAIPSSA-N 2 1 303.450 1.132 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001133846259 770353189 /nfs/dbraw/zinc/35/31/89/770353189.db2.gz XLBBTHLGSAOVNE-CQSZACIVSA-N 2 1 300.406 1.106 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095276 770363955 /nfs/dbraw/zinc/36/39/55/770363955.db2.gz WHCXZDXRVBJCLR-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095278 770363978 /nfs/dbraw/zinc/36/39/78/770363978.db2.gz WHCXZDXRVBJCLR-OKZBNKHCSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234423 770581471 /nfs/dbraw/zinc/58/14/71/770581471.db2.gz GFGDEZQXIWYEDJ-FGTMMUONSA-N 2 1 311.429 1.313 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2C1 ZINC001049234423 770581475 /nfs/dbraw/zinc/58/14/75/770581475.db2.gz GFGDEZQXIWYEDJ-FGTMMUONSA-N 2 1 311.429 1.313 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C[C@H]2C1 ZINC001049234452 770581534 /nfs/dbraw/zinc/58/15/34/770581534.db2.gz INFGJCZFEGJKKU-IXDOHACOSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2C1 ZINC001049235175 770582986 /nfs/dbraw/zinc/58/29/86/770582986.db2.gz LSCYSISJJZDXCN-CALCHBBNSA-N 2 1 313.445 1.938 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001049508516 770945933 /nfs/dbraw/zinc/94/59/33/770945933.db2.gz PHXJPMKVYJLDPB-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049508516 770945942 /nfs/dbraw/zinc/94/59/42/770945942.db2.gz PHXJPMKVYJLDPB-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CCC ZINC001049508516 770945949 /nfs/dbraw/zinc/94/59/49/770945949.db2.gz PHXJPMKVYJLDPB-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049761314 771140212 /nfs/dbraw/zinc/14/02/12/771140212.db2.gz HEPQBUOQIAUNKR-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)CC ZINC001134773320 771168639 /nfs/dbraw/zinc/16/86/39/771168639.db2.gz NORWUGQEXODZIP-LSDHHAIUSA-N 2 1 313.486 1.792 20 30 DDEDMP COCC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468808 771525727 /nfs/dbraw/zinc/52/57/27/771525727.db2.gz TXZYXKIGTKFONZ-HZPDHXFCSA-N 2 1 323.481 1.241 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001098489127 771625739 /nfs/dbraw/zinc/62/57/39/771625739.db2.gz GGWNEAQDIKTDMT-OAHLLOKOSA-N 2 1 320.437 1.306 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001086783815 771725451 /nfs/dbraw/zinc/72/54/51/771725451.db2.gz QOWSEYKLKWTZGU-YESZJQIVSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086785176 771726270 /nfs/dbraw/zinc/72/62/70/771726270.db2.gz MWRICWBZSWMDBE-XHSDSOJGSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677789 773296919 /nfs/dbraw/zinc/29/69/19/773296919.db2.gz SCDZGJGEQWPWQM-HNNXBMFYSA-N 2 1 307.438 1.008 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302289 774053473 /nfs/dbraw/zinc/05/34/73/774053473.db2.gz XFXUKXIKZADBBU-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302289 774053478 /nfs/dbraw/zinc/05/34/78/774053478.db2.gz XFXUKXIKZADBBU-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302289 774053485 /nfs/dbraw/zinc/05/34/85/774053485.db2.gz XFXUKXIKZADBBU-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001098835080 774689455 /nfs/dbraw/zinc/68/94/55/774689455.db2.gz IZDGTGGLPKKRHA-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001098835080 774689458 /nfs/dbraw/zinc/68/94/58/774689458.db2.gz IZDGTGGLPKKRHA-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001098835080 774689464 /nfs/dbraw/zinc/68/94/64/774689464.db2.gz IZDGTGGLPKKRHA-SCTDSRPQSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036819954 774746913 /nfs/dbraw/zinc/74/69/13/774746913.db2.gz AGGMIIUABRHCEY-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@@H]21 ZINC001036819954 774746917 /nfs/dbraw/zinc/74/69/17/774746917.db2.gz AGGMIIUABRHCEY-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C2 ZINC001111467311 774866833 /nfs/dbraw/zinc/86/68/33/774866833.db2.gz DWIHROJFSROMPP-ZJPYXAASSA-N 2 1 317.477 1.852 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100012643 775567851 /nfs/dbraw/zinc/56/78/51/775567851.db2.gz AVQQQAZDSWZNCG-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100012643 775567858 /nfs/dbraw/zinc/56/78/58/775567858.db2.gz AVQQQAZDSWZNCG-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](O)C1 ZINC001100012643 775567864 /nfs/dbraw/zinc/56/78/64/775567864.db2.gz AVQQQAZDSWZNCG-HUUCEWRRSA-N 2 1 311.470 1.092 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001171538509 776317708 /nfs/dbraw/zinc/31/77/08/776317708.db2.gz NHJJPKOJZPXJIA-SJORKVTESA-N 2 1 323.481 1.385 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290382 778014113 /nfs/dbraw/zinc/01/41/13/778014113.db2.gz BMZJTAFMWRJYQS-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102380341 778107884 /nfs/dbraw/zinc/10/78/84/778107884.db2.gz DHWGQXINRFEDRP-OAGGEKHMSA-N 2 1 311.470 1.213 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)C[N@H+](C)C(C)C ZINC001177488767 778617648 /nfs/dbraw/zinc/61/76/48/778617648.db2.gz LVEGSTCLBGGZKZ-UHFFFAOYSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[NH2+]CCCCCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001178908362 779224445 /nfs/dbraw/zinc/22/44/45/779224445.db2.gz OAYFSIDWKDRXOK-UHFFFAOYSA-N 2 1 320.437 1.639 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)[C@H]1C ZINC001179554031 779416933 /nfs/dbraw/zinc/41/69/33/779416933.db2.gz LKRLSZPEOWWKBR-WMZOPIPTSA-N 2 1 313.445 1.373 20 30 DDEDMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001267146120 837414569 /nfs/dbraw/zinc/41/45/69/837414569.db2.gz WRTVIQFMXSGZNV-UKRRQHHQSA-N 2 1 304.438 1.814 20 30 DDEDMP C=CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001267208511 837536133 /nfs/dbraw/zinc/53/61/33/837536133.db2.gz RFWZDGSFVURIJH-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266464131 836297162 /nfs/dbraw/zinc/29/71/62/836297162.db2.gz UGZBWHVQJXSQCH-MRXNPFEDSA-N 2 1 302.422 1.385 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266464131 836297168 /nfs/dbraw/zinc/29/71/68/836297168.db2.gz UGZBWHVQJXSQCH-MRXNPFEDSA-N 2 1 302.422 1.385 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266567885 836479106 /nfs/dbraw/zinc/47/91/06/836479106.db2.gz WQAZXQKOENMBMP-SFHVURJKSA-N 2 1 313.445 1.569 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001266770583 836807965 /nfs/dbraw/zinc/80/79/65/836807965.db2.gz YWZVQNKHGNWYII-IRXDYDNUSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001266794013 836847059 /nfs/dbraw/zinc/84/70/59/836847059.db2.gz VVNCFSNHFWGZIL-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001266794013 836847061 /nfs/dbraw/zinc/84/70/61/836847061.db2.gz VVNCFSNHFWGZIL-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266871451 836977179 /nfs/dbraw/zinc/97/71/79/836977179.db2.gz ZMUNGAZZZDHBCP-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Br)C[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266979312 837139641 /nfs/dbraw/zinc/13/96/41/837139641.db2.gz CIAWGQHVEFATEA-LBPRGKRZSA-N 2 1 318.259 1.285 20 30 DDEDMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001267088636 837319866 /nfs/dbraw/zinc/31/98/66/837319866.db2.gz NDYMDHBUEQXMCR-HOTGVXAUSA-N 2 1 302.422 1.622 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267531742 838259432 /nfs/dbraw/zinc/25/94/32/838259432.db2.gz XZDGBAYMRDYKNY-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267531742 838259441 /nfs/dbraw/zinc/25/94/41/838259441.db2.gz XZDGBAYMRDYKNY-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001267531742 838259452 /nfs/dbraw/zinc/25/94/52/838259452.db2.gz XZDGBAYMRDYKNY-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001267548465 838286313 /nfs/dbraw/zinc/28/63/13/838286313.db2.gz GEHNXDVSYILADH-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCN1CC[C@H](N(CCC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001267548465 838286320 /nfs/dbraw/zinc/28/63/20/838286320.db2.gz GEHNXDVSYILADH-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267558003 838302919 /nfs/dbraw/zinc/30/29/19/838302919.db2.gz QHAUBVOIGLWHPR-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267558003 838302927 /nfs/dbraw/zinc/30/29/27/838302927.db2.gz QHAUBVOIGLWHPR-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267558003 838302935 /nfs/dbraw/zinc/30/29/35/838302935.db2.gz QHAUBVOIGLWHPR-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCOCC)C1 ZINC001267943059 839233050 /nfs/dbraw/zinc/23/30/50/839233050.db2.gz YAWQQTOCOUTUIN-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001267970315 839293531 /nfs/dbraw/zinc/29/35/31/839293531.db2.gz RZCFCGDBBXHAEG-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269115321 841225710 /nfs/dbraw/zinc/22/57/10/841225710.db2.gz IEKBXHPCPKUNJU-RDJZCZTQSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001269474231 841674044 /nfs/dbraw/zinc/67/40/44/841674044.db2.gz ASMJZCDRRLBXER-CQSZACIVSA-N 2 1 302.422 1.568 20 30 DDEDMP C#CC[N@H+](CCOC)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001269649233 841896749 /nfs/dbraw/zinc/89/67/49/841896749.db2.gz BMXHSOOPYZDKQP-KRWDZBQOSA-N 2 1 323.481 1.145 20 30 DDEDMP C=CCCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001269738087 841989612 /nfs/dbraw/zinc/98/96/12/841989612.db2.gz YJPQWZAUOUPSJY-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269738087 841989615 /nfs/dbraw/zinc/98/96/15/841989615.db2.gz YJPQWZAUOUPSJY-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001269738087 841989616 /nfs/dbraw/zinc/98/96/16/841989616.db2.gz YJPQWZAUOUPSJY-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001269799227 842056707 /nfs/dbraw/zinc/05/67/07/842056707.db2.gz SUTXFPAROXIKJY-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CC#C)CC1 ZINC001270359595 842513593 /nfs/dbraw/zinc/51/35/93/842513593.db2.gz XSIDBAHCLFKJHV-UHFFFAOYSA-N 2 1 303.450 1.278 20 30 DDEDMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC(C)C)CC1 ZINC001270363836 842516495 /nfs/dbraw/zinc/51/64/95/842516495.db2.gz HSLUMRJPFBVUCV-UHFFFAOYSA-N 2 1 307.482 1.909 20 30 DDEDMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001271017885 843137668 /nfs/dbraw/zinc/13/76/68/843137668.db2.gz ZKRMEZXDADSGNO-GOSISDBHSA-N 2 1 305.466 1.714 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001328810967 863246181 /nfs/dbraw/zinc/24/61/81/863246181.db2.gz ZWHMXMQNWBGZJW-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001328810967 863246192 /nfs/dbraw/zinc/24/61/92/863246192.db2.gz ZWHMXMQNWBGZJW-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001034240091 848169103 /nfs/dbraw/zinc/16/91/03/848169103.db2.gz OQOQCKBTSPJPFG-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034240091 848169105 /nfs/dbraw/zinc/16/91/05/848169105.db2.gz OQOQCKBTSPJPFG-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001034240091 848169110 /nfs/dbraw/zinc/16/91/10/848169110.db2.gz OQOQCKBTSPJPFG-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431276 848516509 /nfs/dbraw/zinc/51/65/09/848516509.db2.gz JYLYWKDYTAUICV-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001149804602 861915612 /nfs/dbraw/zinc/91/56/12/861915612.db2.gz RZWSXUKVRBDRFA-CABCVRRESA-N 2 1 315.433 1.059 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CCC1 ZINC001280505337 848694588 /nfs/dbraw/zinc/69/45/88/848694588.db2.gz LGZTZAVMRCQBTE-OAHLLOKOSA-N 2 1 314.433 1.406 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149861004 861948019 /nfs/dbraw/zinc/94/80/19/861948019.db2.gz LCCYPUKLYBAEFP-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149861004 861948037 /nfs/dbraw/zinc/94/80/37/861948037.db2.gz LCCYPUKLYBAEFP-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149861004 861948043 /nfs/dbraw/zinc/94/80/43/861948043.db2.gz LCCYPUKLYBAEFP-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001410254332 848965083 /nfs/dbraw/zinc/96/50/83/848965083.db2.gz KNQUFGDUSUAUCZ-ZIAGYGMSSA-N 2 1 301.862 1.954 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001410958446 850020981 /nfs/dbraw/zinc/02/09/81/850020981.db2.gz PVXSHWNTWOXMJO-KGLIPLIRSA-N 2 1 310.829 1.819 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150706990 862426046 /nfs/dbraw/zinc/42/60/46/862426046.db2.gz RFKMFFVJJUCVDW-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150706990 862426050 /nfs/dbraw/zinc/42/60/50/862426050.db2.gz RFKMFFVJJUCVDW-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150706990 862426055 /nfs/dbraw/zinc/42/60/55/862426055.db2.gz RFKMFFVJJUCVDW-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001151021479 862582894 /nfs/dbraw/zinc/58/28/94/862582894.db2.gz UZCYOTFXWHYXTA-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001276300172 855224072 /nfs/dbraw/zinc/22/40/72/855224072.db2.gz PNHTZCBOCDUNMN-HOTGVXAUSA-N 2 1 311.445 1.660 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3c1CCCC3)C2 ZINC001095771839 855336565 /nfs/dbraw/zinc/33/65/65/855336565.db2.gz AGSRTEQHUGQSOY-KMFMINBZSA-N 2 1 312.417 1.117 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cnc3c1CCCC3)C2 ZINC001095771839 855336570 /nfs/dbraw/zinc/33/65/70/855336570.db2.gz AGSRTEQHUGQSOY-KMFMINBZSA-N 2 1 312.417 1.117 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732654 857651098 /nfs/dbraw/zinc/65/10/98/857651098.db2.gz SIVQODKTYDDMEY-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732654 857651101 /nfs/dbraw/zinc/65/11/01/857651101.db2.gz SIVQODKTYDDMEY-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732654 857651103 /nfs/dbraw/zinc/65/11/03/857651103.db2.gz SIVQODKTYDDMEY-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813497 857743169 /nfs/dbraw/zinc/74/31/69/857743169.db2.gz UHVCSUKGKYQHIM-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813497 857743173 /nfs/dbraw/zinc/74/31/73/857743173.db2.gz UHVCSUKGKYQHIM-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813497 857743182 /nfs/dbraw/zinc/74/31/82/857743182.db2.gz UHVCSUKGKYQHIM-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001073125529 858121971 /nfs/dbraw/zinc/12/19/71/858121971.db2.gz AAVYCFQKSHGVJH-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001073125529 858121975 /nfs/dbraw/zinc/12/19/75/858121975.db2.gz AAVYCFQKSHGVJH-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073125529 858121980 /nfs/dbraw/zinc/12/19/80/858121980.db2.gz AAVYCFQKSHGVJH-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001073125529 858121983 /nfs/dbraw/zinc/12/19/83/858121983.db2.gz AAVYCFQKSHGVJH-AWEZNQCLSA-N 2 1 311.857 1.615 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001154481659 861137075 /nfs/dbraw/zinc/13/70/75/861137075.db2.gz PVJYXWGQWLGKDM-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001328808921 863244944 /nfs/dbraw/zinc/24/49/44/863244944.db2.gz QYZURHXPOGOWAB-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001328808921 863244952 /nfs/dbraw/zinc/24/49/52/863244952.db2.gz QYZURHXPOGOWAB-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]([C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001328808921 863244961 /nfs/dbraw/zinc/24/49/61/863244961.db2.gz QYZURHXPOGOWAB-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001328810967 863246171 /nfs/dbraw/zinc/24/61/71/863246171.db2.gz ZWHMXMQNWBGZJW-ROUUACIJSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001329736078 863819845 /nfs/dbraw/zinc/81/98/45/863819845.db2.gz SIOXXUXLQICIMB-CVEARBPZSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001329736078 863819852 /nfs/dbraw/zinc/81/98/52/863819852.db2.gz SIOXXUXLQICIMB-CVEARBPZSA-N 2 1 311.470 1.356 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001330445868 864354380 /nfs/dbraw/zinc/35/43/80/864354380.db2.gz NNDFHYNCKJHQQG-HOTGVXAUSA-N 2 1 311.470 1.498 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001330468986 864375615 /nfs/dbraw/zinc/37/56/15/864375615.db2.gz PXTXTZSXCZJRQW-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001330468986 864375629 /nfs/dbraw/zinc/37/56/29/864375629.db2.gz PXTXTZSXCZJRQW-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001330468986 864375644 /nfs/dbraw/zinc/37/56/44/864375644.db2.gz PXTXTZSXCZJRQW-GVDBMIGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1cncn1C ZINC001158806668 864914847 /nfs/dbraw/zinc/91/48/47/864914847.db2.gz NYRCFBVOZAFNIP-MRXNPFEDSA-N 2 1 304.438 1.852 20 30 DDEDMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001331470249 865104379 /nfs/dbraw/zinc/10/43/79/865104379.db2.gz OCGRHDFKEDCFTI-WBVHZDCISA-N 2 1 305.466 1.853 20 30 DDEDMP CCC(=O)On1nc2c(c1NC1=CCC[NH2+]CC1)C[NH2+]C2(C)C ZINC001159392518 865269917 /nfs/dbraw/zinc/26/99/17/865269917.db2.gz BIQFYOKVBCPJEL-UHFFFAOYSA-N 2 1 319.409 1.266 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159925069 865597148 /nfs/dbraw/zinc/59/71/48/865597148.db2.gz OIRVDTQMUOMNSS-CQSZACIVSA-N 2 1 306.410 1.059 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001160466963 865864963 /nfs/dbraw/zinc/86/49/63/865864963.db2.gz MBLNRAWPEIHTDR-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001160466963 865864978 /nfs/dbraw/zinc/86/49/78/865864978.db2.gz MBLNRAWPEIHTDR-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001160466963 865864992 /nfs/dbraw/zinc/86/49/92/865864992.db2.gz MBLNRAWPEIHTDR-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001161041280 866308305 /nfs/dbraw/zinc/30/83/05/866308305.db2.gz HQWLQJZFCHHLSC-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C=CCOCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001333012776 866339278 /nfs/dbraw/zinc/33/92/78/866339278.db2.gz DMIQIDUYNNBIHY-DOTOQJQBSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001161205297 866440809 /nfs/dbraw/zinc/44/08/09/866440809.db2.gz CMOAECYANQMWNS-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161205297 866440817 /nfs/dbraw/zinc/44/08/17/866440817.db2.gz CMOAECYANQMWNS-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC001161205297 866440827 /nfs/dbraw/zinc/44/08/27/866440827.db2.gz CMOAECYANQMWNS-NVXWUHKLSA-N 2 1 305.466 1.899 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC2)CC1 ZINC001324377008 867238840 /nfs/dbraw/zinc/23/88/40/867238840.db2.gz KZCKVJJKPRXHMQ-KRWDZBQOSA-N 2 1 303.450 1.417 20 30 DDEDMP C[NH+]1CCC(C#N)(Nc2nc(Cl)nc3c2C[NH2+]CC3)CC1 ZINC001162225253 867358436 /nfs/dbraw/zinc/35/84/36/867358436.db2.gz ICNFGFPVVFLGOY-UHFFFAOYSA-N 2 1 306.801 1.176 20 30 DDEDMP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001324827745 867556763 /nfs/dbraw/zinc/55/67/63/867556763.db2.gz XGQDQGSLPXKGDV-QGZVFWFLSA-N 2 1 320.437 1.222 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1 ZINC001325038173 867712654 /nfs/dbraw/zinc/71/26/54/867712654.db2.gz VJHQNXUUXMJLBR-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1CC ZINC001325366972 867972076 /nfs/dbraw/zinc/97/20/76/867972076.db2.gz PKVYILNJJFBMJK-SFHVURJKSA-N 2 1 315.461 1.969 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CNC(NC[C@@H]1CCCCO1)=[NH+]C(C)(C)C ZINC001335316825 868222346 /nfs/dbraw/zinc/22/23/46/868222346.db2.gz MVMORNZVVDCUMP-CABCVRRESA-N 2 1 310.486 1.983 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001166708511 870180592 /nfs/dbraw/zinc/18/05/92/870180592.db2.gz RVGXJTIRXPXPAC-DOMZBBRYSA-N 2 1 320.462 1.413 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137598 870339124 /nfs/dbraw/zinc/33/91/24/870339124.db2.gz NKIOKLOFMNKANE-SJLPKXTDSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137598 870339139 /nfs/dbraw/zinc/33/91/39/870339139.db2.gz NKIOKLOFMNKANE-SJLPKXTDSA-N 2 1 313.445 1.751 20 30 DDEDMP C=CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C12CCC2 ZINC001203507768 870604309 /nfs/dbraw/zinc/60/43/09/870604309.db2.gz UYKZXHRHOJLTOZ-CVEARBPZSA-N 2 1 321.465 1.302 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798580 870764475 /nfs/dbraw/zinc/76/44/75/870764475.db2.gz ZFHSSVXZIBWNHS-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798580 870764479 /nfs/dbraw/zinc/76/44/79/870764479.db2.gz ZFHSSVXZIBWNHS-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1 ZINC001317396859 870766103 /nfs/dbraw/zinc/76/61/03/870766103.db2.gz RHKOLGUVIMLYEK-HIFRSBDPSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cncs1 ZINC001317396859 870766110 /nfs/dbraw/zinc/76/61/10/870766110.db2.gz RHKOLGUVIMLYEK-HIFRSBDPSA-N 2 1 320.462 1.225 20 30 DDEDMP COCC#CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317471606 871439056 /nfs/dbraw/zinc/43/90/56/871439056.db2.gz MGQMBSPSGILBMW-QGZVFWFLSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317471606 871439067 /nfs/dbraw/zinc/43/90/67/871439067.db2.gz MGQMBSPSGILBMW-QGZVFWFLSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CCC[NH2+]1 ZINC001341730171 871793830 /nfs/dbraw/zinc/79/38/30/871793830.db2.gz POMMSJNKFUEMBX-IIAWOOMASA-N 2 1 309.479 1.381 20 30 DDEDMP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CCC[NH2+]1 ZINC001341730171 871793841 /nfs/dbraw/zinc/79/38/41/871793841.db2.gz POMMSJNKFUEMBX-IIAWOOMASA-N 2 1 309.479 1.381 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722061 882610836 /nfs/dbraw/zinc/61/08/36/882610836.db2.gz FMZCTSKAHHWZAA-GOEBONIOSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226722061 882610830 /nfs/dbraw/zinc/61/08/30/882610830.db2.gz FMZCTSKAHHWZAA-GOEBONIOSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001319080826 872430954 /nfs/dbraw/zinc/43/09/54/872430954.db2.gz OCRGDVYCRIPNEM-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001319080826 872430965 /nfs/dbraw/zinc/43/09/65/872430965.db2.gz OCRGDVYCRIPNEM-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206549283 872431709 /nfs/dbraw/zinc/43/17/09/872431709.db2.gz YTCDYAMDTDFZLE-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001319196884 872492523 /nfs/dbraw/zinc/49/25/23/872492523.db2.gz ONMHGNVDNQBEOV-NVXWUHKLSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001208677261 874375888 /nfs/dbraw/zinc/37/58/88/874375888.db2.gz YNXTVDOIYNGSEG-SJLPKXTDSA-N 2 1 313.445 1.231 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001208677261 874375905 /nfs/dbraw/zinc/37/59/05/874375905.db2.gz YNXTVDOIYNGSEG-SJLPKXTDSA-N 2 1 313.445 1.231 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001208677261 874375921 /nfs/dbraw/zinc/37/59/21/874375921.db2.gz YNXTVDOIYNGSEG-SJLPKXTDSA-N 2 1 313.445 1.231 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccccc1C#N ZINC001378582455 875169471 /nfs/dbraw/zinc/16/94/71/875169471.db2.gz AENPOKMSEPHISD-RHSMWYFYSA-N 2 1 314.433 1.494 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210146296 875247027 /nfs/dbraw/zinc/24/70/27/875247027.db2.gz PCJGSCBWYOIDTJ-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392724 876694376 /nfs/dbraw/zinc/69/43/76/876694376.db2.gz AWBQSRYRBDAFAW-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215392724 876694383 /nfs/dbraw/zinc/69/43/83/876694383.db2.gz AWBQSRYRBDAFAW-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215397359 876698644 /nfs/dbraw/zinc/69/86/44/876698644.db2.gz XKXBQNRDROEBAG-LTIDMASMSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817085 880102805 /nfs/dbraw/zinc/10/28/05/880102805.db2.gz KBRKGCPXPBPTTQ-HZPDHXFCSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817085 880102814 /nfs/dbraw/zinc/10/28/14/880102814.db2.gz KBRKGCPXPBPTTQ-HZPDHXFCSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221817085 880102830 /nfs/dbraw/zinc/10/28/30/880102830.db2.gz KBRKGCPXPBPTTQ-HZPDHXFCSA-N 2 1 305.466 1.520 20 30 DDEDMP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001382114849 883445782 /nfs/dbraw/zinc/44/57/82/883445782.db2.gz CFOASOUDOIMJLA-RHSMWYFYSA-N 2 1 314.433 1.589 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001277662073 886346735 /nfs/dbraw/zinc/34/67/35/886346735.db2.gz DKHMATXYSGVILO-INIZCTEOSA-N 2 1 320.437 1.753 20 30 DDEDMP CCOC(=O)[C@]12C[N@H+](Cc3ccc(C#N)cc3)C[C@H]1C[NH2+]CC2 ZINC001236037332 889068599 /nfs/dbraw/zinc/06/85/99/889068599.db2.gz GPUFAKSQAPESCM-SJLPKXTDSA-N 2 1 313.401 1.533 20 30 DDEDMP CCOC(=O)[C@]12C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]1C[NH2+]CC2 ZINC001236037332 889068609 /nfs/dbraw/zinc/06/86/09/889068609.db2.gz GPUFAKSQAPESCM-SJLPKXTDSA-N 2 1 313.401 1.533 20 30 DDEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001280884334 889586585 /nfs/dbraw/zinc/58/65/85/889586585.db2.gz ZSDWUJYILHUSCT-IRXDYDNUSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC#CC)CC1 ZINC001278150892 889869413 /nfs/dbraw/zinc/86/94/13/889869413.db2.gz DUAZCGXARMKSBX-SJLPKXTDSA-N 2 1 315.461 1.276 20 30 DDEDMP C=CCCCCCC[C@@H](O)C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246035086 892373423 /nfs/dbraw/zinc/37/34/23/892373423.db2.gz ZAKOXMRPOVMPJX-QGZVFWFLSA-N 2 1 309.498 1.901 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001366290534 893042543 /nfs/dbraw/zinc/04/25/43/893042543.db2.gz FLLKDAFIHQGGQM-RHSMWYFYSA-N 2 1 314.433 1.637 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001374739363 913749636 /nfs/dbraw/zinc/74/96/36/913749636.db2.gz VLXZUHYSZXXRNK-MLGOLLRUSA-N 2 1 318.396 1.386 20 30 DDEDMP CCc1cc(C#N)ccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001248743068 893683429 /nfs/dbraw/zinc/68/34/29/893683429.db2.gz NVQKEWHHYJQDOG-UHFFFAOYSA-N 2 1 300.450 1.800 20 30 DDEDMP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001366641210 894406564 /nfs/dbraw/zinc/40/65/64/894406564.db2.gz PJBHALREGQHBNN-UHFFFAOYSA-N 2 1 320.462 1.654 20 30 DDEDMP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC001366641210 894406574 /nfs/dbraw/zinc/40/65/74/894406574.db2.gz PJBHALREGQHBNN-UHFFFAOYSA-N 2 1 320.462 1.654 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001278602242 894434233 /nfs/dbraw/zinc/43/42/33/894434233.db2.gz PQAJXFJTDQYQNQ-GOEBONIOSA-N 2 1 323.400 1.389 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](C[C@H](O)C[NH+](CC)CC)C2)C1=O ZINC001253182091 895691204 /nfs/dbraw/zinc/69/12/04/895691204.db2.gz LONSFRLUJFISSE-AEFFLSMTSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265207695 901705994 /nfs/dbraw/zinc/70/59/94/901705994.db2.gz KWPYEVBVNPVSFZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265207695 901706006 /nfs/dbraw/zinc/70/60/06/901706006.db2.gz KWPYEVBVNPVSFZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265207695 901706014 /nfs/dbraw/zinc/70/60/14/901706014.db2.gz KWPYEVBVNPVSFZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265207695 901706025 /nfs/dbraw/zinc/70/60/25/901706025.db2.gz KWPYEVBVNPVSFZ-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001265342820 901902472 /nfs/dbraw/zinc/90/24/72/901902472.db2.gz BGZQGNRCMQDXFO-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001265675157 902288258 /nfs/dbraw/zinc/28/82/58/902288258.db2.gz BKOZNRNMFBGJCQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCC1 ZINC001265786878 902408284 /nfs/dbraw/zinc/40/82/84/902408284.db2.gz XGRKKZKBPNRKJY-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCC1 ZINC001265786878 902408288 /nfs/dbraw/zinc/40/82/88/902408288.db2.gz XGRKKZKBPNRKJY-RDJZCZTQSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001279163360 903187909 /nfs/dbraw/zinc/18/79/09/903187909.db2.gz ZABVSBSMYODDGB-GOEBONIOSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001281015601 904322023 /nfs/dbraw/zinc/32/20/23/904322023.db2.gz FUEVECFGXLSJFM-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001281139393 904464192 /nfs/dbraw/zinc/46/41/92/904464192.db2.gz YOIXFIXVFUOZGQ-FUHWJXTLSA-N 2 1 323.481 1.380 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001371307370 904666480 /nfs/dbraw/zinc/66/64/80/904666480.db2.gz CFCZCQAIZLFIJV-SMDDNHRTSA-N 2 1 306.435 1.308 20 30 DDEDMP C=CCC[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001283316641 907118772 /nfs/dbraw/zinc/11/87/72/907118772.db2.gz BGTWVFZWKLXEPE-UHFFFAOYSA-N 2 1 320.437 1.849 20 30 DDEDMP C=CCC[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001283316641 907118791 /nfs/dbraw/zinc/11/87/91/907118791.db2.gz BGTWVFZWKLXEPE-UHFFFAOYSA-N 2 1 320.437 1.849 20 30 DDEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)c(F)c1 ZINC001285004649 909926138 /nfs/dbraw/zinc/92/61/38/909926138.db2.gz MKJWSJBLXCDKFU-QGZVFWFLSA-N 2 1 317.408 1.649 20 30 DDEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735103 354282313 /nfs/dbraw/zinc/28/23/13/354282313.db2.gz ACNIMEUWRCXKFE-PMPSAXMXSA-N 2 1 320.481 1.990 20 30 DDEDMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735103 354282316 /nfs/dbraw/zinc/28/23/16/354282316.db2.gz ACNIMEUWRCXKFE-PMPSAXMXSA-N 2 1 320.481 1.990 20 30 DDEDMP C[N@H+]1CC[C@@]2(C1)CCCN(CC(=O)N(CCC#N)CCC#N)C2 ZINC000595507138 356524438 /nfs/dbraw/zinc/52/44/38/356524438.db2.gz KFSVERDNJQELTH-QGZVFWFLSA-N 2 1 317.437 1.060 20 30 DDEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590066 357642932 /nfs/dbraw/zinc/64/29/32/357642932.db2.gz WTZMJBQXQNQGQN-HOCLYGCPSA-N 2 1 311.470 1.312 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC2(C#N)CCOCC2)CC[N@@H+]1C ZINC000599316678 357889895 /nfs/dbraw/zinc/88/98/95/357889895.db2.gz ORHOXKFBZXRFPB-BZUAXINKSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)CC2(C#N)CCOCC2)CC[N@H+]1C ZINC000599316678 357889897 /nfs/dbraw/zinc/88/98/97/357889897.db2.gz ORHOXKFBZXRFPB-BZUAXINKSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CC[NH+]1C ZINC000599316678 357889899 /nfs/dbraw/zinc/88/98/99/357889899.db2.gz ORHOXKFBZXRFPB-BZUAXINKSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC2(C#N)CCOCC2)CC[NH+]1C ZINC000599316678 357889902 /nfs/dbraw/zinc/88/99/02/357889902.db2.gz ORHOXKFBZXRFPB-BZUAXINKSA-N 2 1 309.454 1.472 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCn1cc(-c2cncc(C#N)c2)nn1 ZINC000600976346 358366152 /nfs/dbraw/zinc/36/61/52/358366152.db2.gz OJFRFHWALPRMIS-UHFFFAOYSA-N 2 1 313.409 1.095 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCn1cc(-c2cncc(C#N)c2)nn1 ZINC000600976346 358366155 /nfs/dbraw/zinc/36/61/55/358366155.db2.gz OJFRFHWALPRMIS-UHFFFAOYSA-N 2 1 313.409 1.095 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000602657770 359106085 /nfs/dbraw/zinc/10/60/85/359106085.db2.gz SPAWRYFWDABHIV-MRXNPFEDSA-N 2 1 322.497 1.701 20 30 DDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877783 359261063 /nfs/dbraw/zinc/26/10/63/359261063.db2.gz QLHZPSUKZGXFCC-OAHLLOKOSA-N 2 1 306.454 1.412 20 30 DDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCSCC#N)CC1 ZINC000074990520 406919161 /nfs/dbraw/zinc/91/91/61/406919161.db2.gz JNMIXQVHPKIMQY-INIZCTEOSA-N 2 1 310.511 1.735 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004058 407164499 /nfs/dbraw/zinc/16/44/99/407164499.db2.gz KVOTYECVRPJEPX-OAHLLOKOSA-N 2 1 317.437 1.437 20 30 DDEDMP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004058 407164501 /nfs/dbraw/zinc/16/45/01/407164501.db2.gz KVOTYECVRPJEPX-OAHLLOKOSA-N 2 1 317.437 1.437 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000170913344 407555200 /nfs/dbraw/zinc/55/52/00/407555200.db2.gz WALISXXUXFICTK-AWEZNQCLSA-N 2 1 304.438 1.974 20 30 DDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130526355 407696881 /nfs/dbraw/zinc/69/68/81/407696881.db2.gz FHCAFAOQBDWDHI-CQSZACIVSA-N 2 1 305.426 1.522 20 30 DDEDMP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130526355 407696886 /nfs/dbraw/zinc/69/68/86/407696886.db2.gz FHCAFAOQBDWDHI-CQSZACIVSA-N 2 1 305.426 1.522 20 30 DDEDMP N#Cc1ccc(CNCCC[N@@H+]2CCC[C@H]2C(N)=O)c(F)c1 ZINC000269420734 408303166 /nfs/dbraw/zinc/30/31/66/408303166.db2.gz LRAQGJFWGYNANK-HNNXBMFYSA-N 2 1 304.369 1.127 20 30 DDEDMP C=CCNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000264083882 408362164 /nfs/dbraw/zinc/36/21/64/408362164.db2.gz IGHJDJRKOBGITB-KRWDZBQOSA-N 2 1 315.465 1.456 20 30 DDEDMP C=CCNC(=[NH2+])NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000264083882 408362165 /nfs/dbraw/zinc/36/21/65/408362165.db2.gz IGHJDJRKOBGITB-KRWDZBQOSA-N 2 1 315.465 1.456 20 30 DDEDMP C=CCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000264083882 408362167 /nfs/dbraw/zinc/36/21/67/408362167.db2.gz IGHJDJRKOBGITB-KRWDZBQOSA-N 2 1 315.465 1.456 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247936497 408515960 /nfs/dbraw/zinc/51/59/60/408515960.db2.gz CNHQJIILXJIPQJ-YESZJQIVSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247936497 408515964 /nfs/dbraw/zinc/51/59/64/408515964.db2.gz CNHQJIILXJIPQJ-YESZJQIVSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247936497 408515966 /nfs/dbraw/zinc/51/59/66/408515966.db2.gz CNHQJIILXJIPQJ-YESZJQIVSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247936497 408515970 /nfs/dbraw/zinc/51/59/70/408515970.db2.gz CNHQJIILXJIPQJ-YESZJQIVSA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247936497 408515974 /nfs/dbraw/zinc/51/59/74/408515974.db2.gz CNHQJIILXJIPQJ-YESZJQIVSA-N 2 1 305.466 1.992 20 30 DDEDMP C(#CC[N@@H+]1CC[C@H](n2cccn2)C1)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000292001043 408961120 /nfs/dbraw/zinc/96/11/20/408961120.db2.gz XIJUFJARIQXDCE-ROUUACIJSA-N 2 1 324.432 1.277 20 30 DDEDMP C(#CC[N@H+]1CC[C@H](n2cccn2)C1)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000292001043 408961121 /nfs/dbraw/zinc/96/11/21/408961121.db2.gz XIJUFJARIQXDCE-ROUUACIJSA-N 2 1 324.432 1.277 20 30 DDEDMP COc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1C#N ZINC000289167276 409227245 /nfs/dbraw/zinc/22/72/45/409227245.db2.gz FAIDHQMZYHTNCP-UHFFFAOYSA-N 2 1 318.465 1.882 20 30 DDEDMP C[NH+](C)C[C@H](O)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000350551496 409963915 /nfs/dbraw/zinc/96/39/15/409963915.db2.gz BEBYOZYOIAHKRI-LXPRWKDFSA-N 2 1 301.434 1.903 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000350262478 409937567 /nfs/dbraw/zinc/93/75/67/409937567.db2.gz ZTGIWIOSFRZGEW-HOTGVXAUSA-N 2 1 324.469 1.180 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000358197405 410402195 /nfs/dbraw/zinc/40/21/95/410402195.db2.gz WFQNESMXDDXVFJ-UHFFFAOYSA-N 2 1 320.481 1.978 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000358780982 410529935 /nfs/dbraw/zinc/52/99/35/410529935.db2.gz BPUHVEFDEACGGJ-OAHLLOKOSA-N 2 1 308.470 1.668 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCS[C@H](C(C)C)C1 ZINC000261727795 222255938 /nfs/dbraw/zinc/25/59/38/222255938.db2.gz JDRCBKSBHLTGJB-GJZGRUSLSA-N 2 1 312.527 1.977 20 30 DDEDMP C[NH+]=C(NCc1cccs1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261809929 222258654 /nfs/dbraw/zinc/25/86/54/222258654.db2.gz SMXRCQIMMIOTFM-AWEZNQCLSA-N 2 1 322.478 1.478 20 30 DDEDMP CC[NH+]=C(NCC1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261872146 222260162 /nfs/dbraw/zinc/26/01/62/222260162.db2.gz ZUQLYQHXHRTTRD-KRWDZBQOSA-N 2 1 322.497 1.796 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264133634 222324392 /nfs/dbraw/zinc/32/43/92/222324392.db2.gz YYRMNCJIPDVHFO-HNNXBMFYSA-N 2 1 318.469 1.297 20 30 DDEDMP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCOCC1 ZINC000262171331 222273132 /nfs/dbraw/zinc/27/31/32/222273132.db2.gz ATHXNVUDEAUHLB-CYBMUJFWSA-N 2 1 308.451 1.532 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@]2(O)CC[N@@H+](C)C2)cc1Cl ZINC000262277818 222274215 /nfs/dbraw/zinc/27/42/15/222274215.db2.gz IIVBXMMVNLQPIU-CQSZACIVSA-N 2 1 312.801 1.142 20 30 DDEDMP CN1CCC(CNC(=[NH2+])NCC2CCC2)([NH+]2CCCCC2)CC1 ZINC000262513769 222284736 /nfs/dbraw/zinc/28/47/36/222284736.db2.gz FHCQVTDOHKSMEH-UHFFFAOYSA-N 2 1 321.513 1.641 20 30 DDEDMP CN(C)C(=[NH+]C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)C ZINC000263263653 222307739 /nfs/dbraw/zinc/30/77/39/222307739.db2.gz UJHHRKHCECFIPP-INIZCTEOSA-N 2 1 304.438 1.367 20 30 DDEDMP CN(C)C(=[NH+]C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)C ZINC000263263653 222307742 /nfs/dbraw/zinc/30/77/42/222307742.db2.gz UJHHRKHCECFIPP-INIZCTEOSA-N 2 1 304.438 1.367 20 30 DDEDMP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264058905 222310667 /nfs/dbraw/zinc/31/06/67/222310667.db2.gz BXMCRPDZRYRUEK-UHFFFAOYSA-N 2 1 317.481 1.638 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccc(Cl)cc1 ZINC000264065727 222312477 /nfs/dbraw/zinc/31/24/77/222312477.db2.gz BDMLZLWEFVXPQT-HUUCEWRRSA-N 2 1 324.856 1.762 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264075476 222314765 /nfs/dbraw/zinc/31/47/65/222314765.db2.gz FKUPEARBLQSPHT-ZDUSSCGKSA-N 2 1 304.442 1.036 20 30 DDEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367883044 418651397 /nfs/dbraw/zinc/65/13/97/418651397.db2.gz ADUFUCDVRZDTSW-OAHLLOKOSA-N 2 1 316.449 1.921 20 30 DDEDMP C=CCN1CC[C@H]([NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)C1=O ZINC000375613167 418662515 /nfs/dbraw/zinc/66/25/15/418662515.db2.gz QBTQOXVMIRNUFL-WBVHZDCISA-N 2 1 317.477 1.970 20 30 DDEDMP C[N@@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C[C@H]1c1ccccc1 ZINC000559855211 421227604 /nfs/dbraw/zinc/22/76/04/421227604.db2.gz MPSVKMMXMFADJF-HOTGVXAUSA-N 2 1 310.405 1.575 20 30 DDEDMP C[N@H+]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C[C@H]1c1ccccc1 ZINC000559855211 421227608 /nfs/dbraw/zinc/22/76/08/421227608.db2.gz MPSVKMMXMFADJF-HOTGVXAUSA-N 2 1 310.405 1.575 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000571909113 421751613 /nfs/dbraw/zinc/75/16/13/421751613.db2.gz YERHVNCLCOXHKW-SFHVURJKSA-N 2 1 304.434 1.804 20 30 DDEDMP CCN(CCC#N)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000577121960 422380935 /nfs/dbraw/zinc/38/09/35/422380935.db2.gz KSNZXOKVMIYYPN-UHFFFAOYSA-N 2 1 320.481 1.945 20 30 DDEDMP Cc1ccc(NCCCNC(=O)[C@H]([NH3+])CCCCC#N)[nH+]c1 ZINC000594439208 422347507 /nfs/dbraw/zinc/34/75/07/422347507.db2.gz TZJNPGDDEKQJPE-CQSZACIVSA-N 2 1 303.410 1.720 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000344275632 268072770 /nfs/dbraw/zinc/07/27/70/268072770.db2.gz QBNDSZYLHQQJSE-GFCCVEGCSA-N 2 1 306.435 1.297 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000344275632 268072771 /nfs/dbraw/zinc/07/27/71/268072771.db2.gz QBNDSZYLHQQJSE-GFCCVEGCSA-N 2 1 306.435 1.297 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000675827866 486049338 /nfs/dbraw/zinc/04/93/38/486049338.db2.gz HTPLRQCACLRINV-UHFFFAOYSA-N 2 1 315.483 1.041 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+]1CCc2sccc2C1 ZINC000424130686 534008878 /nfs/dbraw/zinc/00/88/78/534008878.db2.gz HNYNZFMFVFVNNH-JSGCOSHPSA-N 2 1 320.462 1.632 20 30 DDEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1CCc2sccc2C1 ZINC000424130686 534008879 /nfs/dbraw/zinc/00/88/79/534008879.db2.gz HNYNZFMFVFVNNH-JSGCOSHPSA-N 2 1 320.462 1.632 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000972168206 695168184 /nfs/dbraw/zinc/16/81/84/695168184.db2.gz LNVPFGUEHZTHSL-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000972168206 695168185 /nfs/dbraw/zinc/16/81/85/695168185.db2.gz LNVPFGUEHZTHSL-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972168206 695168187 /nfs/dbraw/zinc/16/81/87/695168187.db2.gz LNVPFGUEHZTHSL-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC000972168206 695168188 /nfs/dbraw/zinc/16/81/88/695168188.db2.gz LNVPFGUEHZTHSL-CVEARBPZSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1 ZINC000972409504 695242094 /nfs/dbraw/zinc/24/20/94/695242094.db2.gz PJKRKABQYWLBFT-GOSISDBHSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@]2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000972409504 695242096 /nfs/dbraw/zinc/24/20/96/695242096.db2.gz PJKRKABQYWLBFT-GOSISDBHSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972409504 695242098 /nfs/dbraw/zinc/24/20/98/695242098.db2.gz PJKRKABQYWLBFT-GOSISDBHSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000972409504 695242100 /nfs/dbraw/zinc/24/21/00/695242100.db2.gz PJKRKABQYWLBFT-GOSISDBHSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601196 695694159 /nfs/dbraw/zinc/69/41/59/695694159.db2.gz UMISHOBAHZIQSY-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601196 695694162 /nfs/dbraw/zinc/69/41/62/695694162.db2.gz UMISHOBAHZIQSY-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000974601196 695694163 /nfs/dbraw/zinc/69/41/63/695694163.db2.gz UMISHOBAHZIQSY-ARFHVFGLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C(C)(C)C1 ZINC000977658739 696246875 /nfs/dbraw/zinc/24/68/75/696246875.db2.gz VDWCQZFZPLAJNO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658739 696246878 /nfs/dbraw/zinc/24/68/78/696246878.db2.gz VDWCQZFZPLAJNO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC000977658739 696246879 /nfs/dbraw/zinc/24/68/79/696246879.db2.gz VDWCQZFZPLAJNO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979079291 696492984 /nfs/dbraw/zinc/49/29/84/696492984.db2.gz OZWJNYLWMAIWLP-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979079291 696492986 /nfs/dbraw/zinc/49/29/86/696492986.db2.gz OZWJNYLWMAIWLP-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979079291 696492988 /nfs/dbraw/zinc/49/29/88/696492988.db2.gz OZWJNYLWMAIWLP-WCXIOVBPSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981152926 697019756 /nfs/dbraw/zinc/01/97/56/697019756.db2.gz PLYLMBLRHNWBBF-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152926 697019760 /nfs/dbraw/zinc/01/97/60/697019760.db2.gz PLYLMBLRHNWBBF-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152926 697019761 /nfs/dbraw/zinc/01/97/61/697019761.db2.gz PLYLMBLRHNWBBF-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC(C)[NH+]=C(NCC(=O)N(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262329663 698464865 /nfs/dbraw/zinc/46/48/65/698464865.db2.gz USQHQBWARGAFPX-GOOCMWNKSA-N 2 1 323.485 1.034 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000303780384 698606393 /nfs/dbraw/zinc/60/63/93/698606393.db2.gz LHLSBFJFEANHQC-CVEARBPZSA-N 2 1 302.422 1.169 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C[NH+]1CCCCC1 ZINC000303892700 698610035 /nfs/dbraw/zinc/61/00/35/698610035.db2.gz RJZLMTCWHWVBNF-JKSUJKDBSA-N 3 1 309.502 1.497 20 30 DDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000303972733 698611651 /nfs/dbraw/zinc/61/16/51/698611651.db2.gz GCXSKYMCDPQIQE-ZDUSSCGKSA-N 2 1 310.467 1.306 20 30 DDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])NC1CCCCC1 ZINC000303969093 698611810 /nfs/dbraw/zinc/61/18/10/698611810.db2.gz BLUQRQZFBVXQOJ-HNNXBMFYSA-N 2 1 323.485 1.166 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000304764070 698624947 /nfs/dbraw/zinc/62/49/47/698624947.db2.gz XNTBAFVSYKORPQ-OAHLLOKOSA-N 2 1 306.454 1.838 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000304764070 698624948 /nfs/dbraw/zinc/62/49/48/698624948.db2.gz XNTBAFVSYKORPQ-OAHLLOKOSA-N 2 1 306.454 1.838 20 30 DDEDMP C=C(C)CC[N@H+]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC000989559354 698667326 /nfs/dbraw/zinc/66/73/26/698667326.db2.gz HTWDFZZAPBYIOM-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000989559354 698667328 /nfs/dbraw/zinc/66/73/28/698667328.db2.gz HTWDFZZAPBYIOM-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C=C(C)CC[NH+]1CCCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000989559354 698667330 /nfs/dbraw/zinc/66/73/30/698667330.db2.gz HTWDFZZAPBYIOM-SFHVURJKSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000328197815 698745623 /nfs/dbraw/zinc/74/56/23/698745623.db2.gz SDBNAAAOQSYRDR-OAHLLOKOSA-N 2 1 309.454 1.931 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000328197815 698745625 /nfs/dbraw/zinc/74/56/25/698745625.db2.gz SDBNAAAOQSYRDR-OAHLLOKOSA-N 2 1 309.454 1.931 20 30 DDEDMP CC(C)[NH+]1CCC(N2CC[NH+](CCO[C@@H](C)C#N)CC2)CC1 ZINC000801935118 700357339 /nfs/dbraw/zinc/35/73/39/700357339.db2.gz WEXDGZBNHKPDGJ-INIZCTEOSA-N 2 1 308.470 1.405 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868284075 702041768 /nfs/dbraw/zinc/04/17/68/702041768.db2.gz OSQKPIRNVLPJAQ-HOCLYGCPSA-N 2 1 306.454 1.372 20 30 DDEDMP CC1(C)C[C@@H](O)C[N@@H+](CC#CC[NH+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879623470 706742186 /nfs/dbraw/zinc/74/21/86/706742186.db2.gz WKLDLEDKYRFDGM-IYBDPMFKSA-N 2 1 308.466 1.175 20 30 DDEDMP CC1(C)C[C@@H](O)C[NH+](CC#CC[N@@H+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879623470 706742189 /nfs/dbraw/zinc/74/21/89/706742189.db2.gz WKLDLEDKYRFDGM-IYBDPMFKSA-N 2 1 308.466 1.175 20 30 DDEDMP CC1(C)C[C@@H](O)C[NH+](CC#CC[N@H+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879623470 706742192 /nfs/dbraw/zinc/74/21/92/706742192.db2.gz WKLDLEDKYRFDGM-IYBDPMFKSA-N 2 1 308.466 1.175 20 30 DDEDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(NC)=[NH+]C ZINC000849042653 703614382 /nfs/dbraw/zinc/61/43/82/703614382.db2.gz XETAPOHUEGECTA-HZPDHXFCSA-N 2 1 304.438 1.318 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000851661620 703825370 /nfs/dbraw/zinc/82/53/70/703825370.db2.gz MOGDKMXZNJVMIB-QGZVFWFLSA-N 2 1 320.481 1.363 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000876715224 705834572 /nfs/dbraw/zinc/83/45/72/705834572.db2.gz IEQMUPSAGIBZHB-INIZCTEOSA-N 2 1 321.852 1.843 20 30 DDEDMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1)C(C)C ZINC000834495327 707070917 /nfs/dbraw/zinc/07/09/17/707070917.db2.gz UCZSZNRDIZOIOF-SJORKVTESA-N 2 1 314.433 1.758 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000838622239 707955346 /nfs/dbraw/zinc/95/53/46/707955346.db2.gz RLSTZFRGOITWRR-UHFFFAOYSA-N 2 1 322.497 1.849 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000884075171 708127712 /nfs/dbraw/zinc/12/77/12/708127712.db2.gz OJBLBXNBZMBHHZ-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000884075171 708127713 /nfs/dbraw/zinc/12/77/13/708127713.db2.gz OJBLBXNBZMBHHZ-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000884075171 708127715 /nfs/dbraw/zinc/12/77/15/708127715.db2.gz OJBLBXNBZMBHHZ-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000884075171 708127716 /nfs/dbraw/zinc/12/77/16/708127716.db2.gz OJBLBXNBZMBHHZ-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000884198215 708184225 /nfs/dbraw/zinc/18/42/25/708184225.db2.gz PNENWCDNOUIMIZ-CVEARBPZSA-N 2 1 308.470 1.360 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000884198215 708184228 /nfs/dbraw/zinc/18/42/28/708184228.db2.gz PNENWCDNOUIMIZ-CVEARBPZSA-N 2 1 308.470 1.360 20 30 DDEDMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884201020 708186569 /nfs/dbraw/zinc/18/65/69/708186569.db2.gz ORSAQHZBTXIOOI-FTRJEVOPSA-N 2 1 318.465 1.362 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)C1 ZINC000890363128 709835523 /nfs/dbraw/zinc/83/55/23/709835523.db2.gz KTPQLQRHDZTEDE-JKSUJKDBSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)C1 ZINC000890363128 709835527 /nfs/dbraw/zinc/83/55/27/709835527.db2.gz KTPQLQRHDZTEDE-JKSUJKDBSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000890363128 709835533 /nfs/dbraw/zinc/83/55/33/709835533.db2.gz KTPQLQRHDZTEDE-JKSUJKDBSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000890363128 709835538 /nfs/dbraw/zinc/83/55/38/709835538.db2.gz KTPQLQRHDZTEDE-JKSUJKDBSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000890364200 709836915 /nfs/dbraw/zinc/83/69/15/709836915.db2.gz XWCZAQMNFAAWJD-JKSUJKDBSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000890364200 709836918 /nfs/dbraw/zinc/83/69/18/709836918.db2.gz XWCZAQMNFAAWJD-JKSUJKDBSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000890364200 709836922 /nfs/dbraw/zinc/83/69/22/709836922.db2.gz XWCZAQMNFAAWJD-JKSUJKDBSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000890364200 709836926 /nfs/dbraw/zinc/83/69/26/709836926.db2.gz XWCZAQMNFAAWJD-JKSUJKDBSA-N 2 1 306.454 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000890376889 709846486 /nfs/dbraw/zinc/84/64/86/709846486.db2.gz BPILIZMHOCUPPS-INIZCTEOSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000890376889 709846492 /nfs/dbraw/zinc/84/64/92/709846492.db2.gz BPILIZMHOCUPPS-INIZCTEOSA-N 2 1 318.465 1.354 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000913519045 713243568 /nfs/dbraw/zinc/24/35/68/713243568.db2.gz LAJVUHVMKQLQDB-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000913519045 713243569 /nfs/dbraw/zinc/24/35/69/713243569.db2.gz LAJVUHVMKQLQDB-KRWDZBQOSA-N 2 1 317.408 1.471 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931309898 714062179 /nfs/dbraw/zinc/06/21/79/714062179.db2.gz UITSQFMXNKWNGH-RYQLBKOJSA-N 2 1 305.466 1.849 20 30 DDEDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000923372547 714332000 /nfs/dbraw/zinc/33/20/00/714332000.db2.gz HZFWKEXOZKDYIZ-LNCBFAARSA-N 2 1 303.406 1.274 20 30 DDEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000923409667 714346273 /nfs/dbraw/zinc/34/62/73/714346273.db2.gz QORHEQASXZTDCK-RYQLBKOJSA-N 2 1 315.417 1.229 20 30 DDEDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H](O)COc1ccccc1C#N)C2 ZINC000923409667 714346275 /nfs/dbraw/zinc/34/62/75/714346275.db2.gz QORHEQASXZTDCK-RYQLBKOJSA-N 2 1 315.417 1.229 20 30 DDEDMP C=CC[C@@H]1CC[N@H+]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000934469537 714827959 /nfs/dbraw/zinc/82/79/59/714827959.db2.gz DXMPJJQCHOGVPD-GOSISDBHSA-N 2 1 313.445 1.981 20 30 DDEDMP C=CC[C@@H]1CCN1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000934469537 714827960 /nfs/dbraw/zinc/82/79/60/714827960.db2.gz DXMPJJQCHOGVPD-GOSISDBHSA-N 2 1 313.445 1.981 20 30 DDEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000958117832 716339826 /nfs/dbraw/zinc/33/98/26/716339826.db2.gz WUDPPAACUJXZFH-UONOGXRCSA-N 2 1 323.462 1.018 20 30 DDEDMP C#CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000961179292 716851435 /nfs/dbraw/zinc/85/14/35/716851435.db2.gz DXNPWZZUKNNAQG-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961179292 716851441 /nfs/dbraw/zinc/85/14/41/716851441.db2.gz DXNPWZZUKNNAQG-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC000961179292 716851448 /nfs/dbraw/zinc/85/14/48/716851448.db2.gz DXNPWZZUKNNAQG-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961186664 716854182 /nfs/dbraw/zinc/85/41/82/716854182.db2.gz RHGSYKPXLKKWBS-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033942 717081463 /nfs/dbraw/zinc/08/14/63/717081463.db2.gz YILVUZGUTMPOGJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033942 717081467 /nfs/dbraw/zinc/08/14/67/717081467.db2.gz YILVUZGUTMPOGJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C(C)(C)C1 ZINC000941033942 717081469 /nfs/dbraw/zinc/08/14/69/717081469.db2.gz YILVUZGUTMPOGJ-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941167135 717120380 /nfs/dbraw/zinc/12/03/80/717120380.db2.gz RTRORFNJAYVXNE-OAHLLOKOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000962181370 717340230 /nfs/dbraw/zinc/34/02/30/717340230.db2.gz NXJXTOLXCSDLKX-FVQHAEBGSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000964668255 717369277 /nfs/dbraw/zinc/36/92/77/717369277.db2.gz JVLFVEFSACYWSG-RSOWUBFDSA-N 2 1 303.450 1.367 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942207244 717548491 /nfs/dbraw/zinc/54/84/91/717548491.db2.gz KHJQTQLUSVCKQZ-UKRRQHHQSA-N 2 1 320.437 1.753 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942207244 717548492 /nfs/dbraw/zinc/54/84/92/717548492.db2.gz KHJQTQLUSVCKQZ-UKRRQHHQSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942555980 717742571 /nfs/dbraw/zinc/74/25/71/717742571.db2.gz SPCXAXOYJWWEKK-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000963391112 717773062 /nfs/dbraw/zinc/77/30/62/717773062.db2.gz QQEVSGHRXHXFNE-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC3)C[C@@H]2C)CC1 ZINC000945181516 718416151 /nfs/dbraw/zinc/41/61/51/718416151.db2.gz NUFVOJCZYFXUTO-YJBOKZPZSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662630 718869578 /nfs/dbraw/zinc/86/95/78/718869578.db2.gz FLAIVUBKGAVAEM-CALCHBBNSA-N 2 1 315.461 1.418 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892928 718937513 /nfs/dbraw/zinc/93/75/13/718937513.db2.gz SGJCXRFAXVUWQM-IXDOHACOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892928 718937514 /nfs/dbraw/zinc/93/75/14/718937514.db2.gz SGJCXRFAXVUWQM-IXDOHACOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892928 718937516 /nfs/dbraw/zinc/93/75/16/718937516.db2.gz SGJCXRFAXVUWQM-IXDOHACOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947557496 719211122 /nfs/dbraw/zinc/21/11/22/719211122.db2.gz YIGRITXFJKXBCI-HUUCEWRRSA-N 2 1 316.449 1.917 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC000947557496 719211125 /nfs/dbraw/zinc/21/11/25/719211125.db2.gz YIGRITXFJKXBCI-HUUCEWRRSA-N 2 1 316.449 1.917 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000948374579 719472961 /nfs/dbraw/zinc/47/29/61/719472961.db2.gz WQWFYRYSQSYYQM-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439921 719499706 /nfs/dbraw/zinc/49/97/06/719499706.db2.gz WVZOPTNBNGABQS-CVEARBPZSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439921 719499708 /nfs/dbraw/zinc/49/97/08/719499708.db2.gz WVZOPTNBNGABQS-CVEARBPZSA-N 2 1 314.433 1.707 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948541818 719538783 /nfs/dbraw/zinc/53/87/83/719538783.db2.gz ITWNEZFGEIRZNC-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948541818 719538785 /nfs/dbraw/zinc/53/87/85/719538785.db2.gz ITWNEZFGEIRZNC-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541818 719538788 /nfs/dbraw/zinc/53/87/88/719538788.db2.gz ITWNEZFGEIRZNC-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948541818 719538790 /nfs/dbraw/zinc/53/87/90/719538790.db2.gz ITWNEZFGEIRZNC-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC000948553211 719543776 /nfs/dbraw/zinc/54/37/76/719543776.db2.gz FPDNIYYBXWPJTI-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000948553211 719543779 /nfs/dbraw/zinc/54/37/79/719543779.db2.gz FPDNIYYBXWPJTI-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000948553211 719543781 /nfs/dbraw/zinc/54/37/81/719543781.db2.gz FPDNIYYBXWPJTI-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000949389135 720054913 /nfs/dbraw/zinc/05/49/13/720054913.db2.gz UJRMWRVLECHKKB-INIZCTEOSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000949389135 720054918 /nfs/dbraw/zinc/05/49/18/720054918.db2.gz UJRMWRVLECHKKB-INIZCTEOSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526474 720140904 /nfs/dbraw/zinc/14/09/04/720140904.db2.gz WBKNULKDGQGWBS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526474 720140906 /nfs/dbraw/zinc/14/09/06/720140906.db2.gz WBKNULKDGQGWBS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526474 720140907 /nfs/dbraw/zinc/14/09/07/720140907.db2.gz WBKNULKDGQGWBS-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000950505724 720662079 /nfs/dbraw/zinc/66/20/79/720662079.db2.gz KHTOMDPMKPSCIT-QGZVFWFLSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000950505724 720662081 /nfs/dbraw/zinc/66/20/81/720662081.db2.gz KHTOMDPMKPSCIT-QGZVFWFLSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CC[NH+]1CCN(c2ccc(OCC3CC[NH2+]CC3)nn2)CC1 ZINC001165033968 721872653 /nfs/dbraw/zinc/87/26/53/721872653.db2.gz ABOMQTFNMUKEIR-UHFFFAOYSA-N 2 1 317.437 1.163 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588206 735326986 /nfs/dbraw/zinc/32/69/86/735326986.db2.gz STTSTMCUYQFPCA-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588206 735326988 /nfs/dbraw/zinc/32/69/88/735326988.db2.gz STTSTMCUYQFPCA-HZPDHXFCSA-N 2 1 314.433 1.215 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000972627304 735375901 /nfs/dbraw/zinc/37/59/01/735375901.db2.gz FAFNVFVHEBANSO-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCC2CC2)CC1 ZINC001039042562 732491940 /nfs/dbraw/zinc/49/19/40/732491940.db2.gz TWSMRALSABQJRF-QGZVFWFLSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001206952615 732887367 /nfs/dbraw/zinc/88/73/67/732887367.db2.gz WXMUJAPKBLXWTR-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001021047747 732913716 /nfs/dbraw/zinc/91/37/16/732913716.db2.gz NHTFEJAVWFLYKM-BRWVUGGUSA-N 2 1 312.417 1.247 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247208 733367560 /nfs/dbraw/zinc/36/75/60/733367560.db2.gz UVWPOAQZWSFNDQ-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737139 733496583 /nfs/dbraw/zinc/49/65/83/733496583.db2.gz RSVIOQIMKQJRIJ-SJORKVTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001022082138 734377734 /nfs/dbraw/zinc/37/77/34/734377734.db2.gz WSHXMNFEBWPFDJ-HRCADAONSA-N 2 1 303.450 1.511 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929336 738825442 /nfs/dbraw/zinc/82/54/42/738825442.db2.gz DYLXFHQEFOEFQZ-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929336 738825448 /nfs/dbraw/zinc/82/54/48/738825448.db2.gz DYLXFHQEFOEFQZ-LSDHHAIUSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC001023421554 735225199 /nfs/dbraw/zinc/22/51/99/735225199.db2.gz CAMWZCBCMUYHKF-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001023421554 735225202 /nfs/dbraw/zinc/22/52/02/735225202.db2.gz CAMWZCBCMUYHKF-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001023421554 735225205 /nfs/dbraw/zinc/22/52/05/735225205.db2.gz CAMWZCBCMUYHKF-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC2CCC2)C1 ZINC001023421554 735225208 /nfs/dbraw/zinc/22/52/08/735225208.db2.gz CAMWZCBCMUYHKF-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001023482106 735265951 /nfs/dbraw/zinc/26/59/51/735265951.db2.gz YNNGIKUDTLQNSO-HNNXBMFYSA-N 2 1 323.400 1.342 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001024442622 735830979 /nfs/dbraw/zinc/83/09/79/735830979.db2.gz SYHLIPYNANRMOV-IRXDYDNUSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001024479711 735860822 /nfs/dbraw/zinc/86/08/22/735860822.db2.gz NYTFQOWGBHEHLY-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2nccn21 ZINC001024479711 735860825 /nfs/dbraw/zinc/86/08/25/735860825.db2.gz NYTFQOWGBHEHLY-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087296557 735970281 /nfs/dbraw/zinc/97/02/81/735970281.db2.gz BGLPRCFELOQGRH-HYVNUMGLSA-N 2 1 316.449 1.983 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087296557 735970282 /nfs/dbraw/zinc/97/02/82/735970282.db2.gz BGLPRCFELOQGRH-HYVNUMGLSA-N 2 1 316.449 1.983 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC001025624068 736793359 /nfs/dbraw/zinc/79/33/59/736793359.db2.gz AYGPTMZNLVQIAG-WMZOPIPTSA-N 2 1 315.461 1.182 20 30 DDEDMP C=C(C)CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346552 737085493 /nfs/dbraw/zinc/08/54/93/737085493.db2.gz RLUXVNMVVOEJOR-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038346552 737085499 /nfs/dbraw/zinc/08/54/99/737085499.db2.gz RLUXVNMVVOEJOR-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038346552 737085503 /nfs/dbraw/zinc/08/55/03/737085503.db2.gz RLUXVNMVVOEJOR-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346552 737085507 /nfs/dbraw/zinc/08/55/07/737085507.db2.gz RLUXVNMVVOEJOR-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346552 737085513 /nfs/dbraw/zinc/08/55/13/737085513.db2.gz RLUXVNMVVOEJOR-SJORKVTESA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001026506665 737623296 /nfs/dbraw/zinc/62/32/96/737623296.db2.gz DZRGOROGKADTJK-NRXISQOPSA-N 2 1 302.422 1.964 20 30 DDEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093336 739022231 /nfs/dbraw/zinc/02/22/31/739022231.db2.gz KEBRDTRZWVZIPC-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028093336 739022234 /nfs/dbraw/zinc/02/22/34/739022234.db2.gz KEBRDTRZWVZIPC-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001028093336 739022238 /nfs/dbraw/zinc/02/22/38/739022238.db2.gz KEBRDTRZWVZIPC-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000997949828 751414710 /nfs/dbraw/zinc/41/47/10/751414710.db2.gz PGYURLYRCTZBMR-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997949828 751414715 /nfs/dbraw/zinc/41/47/15/751414715.db2.gz PGYURLYRCTZBMR-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997949828 751414718 /nfs/dbraw/zinc/41/47/18/751414718.db2.gz PGYURLYRCTZBMR-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)CN1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001035375940 751433255 /nfs/dbraw/zinc/43/32/55/751433255.db2.gz MTYZIPCSFATRFT-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001028333438 739366282 /nfs/dbraw/zinc/36/62/82/739366282.db2.gz LBPOULZWNLHOJT-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028595303 739764014 /nfs/dbraw/zinc/76/40/14/739764014.db2.gz XGXQHDMUROYTKU-GJZGRUSLSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028595303 739764016 /nfs/dbraw/zinc/76/40/16/739764016.db2.gz XGXQHDMUROYTKU-GJZGRUSLSA-N 2 1 300.406 1.222 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001087640617 740691119 /nfs/dbraw/zinc/69/11/19/740691119.db2.gz NLAKLZLKQRJPPE-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726181 740723236 /nfs/dbraw/zinc/72/32/36/740723236.db2.gz UTGGTBLBKKJNHO-BHYGNILZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H]1CC ZINC001087726181 740723237 /nfs/dbraw/zinc/72/32/37/740723237.db2.gz UTGGTBLBKKJNHO-BHYGNILZSA-N 2 1 316.449 1.909 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087798866 740753979 /nfs/dbraw/zinc/75/39/79/740753979.db2.gz RIYHWONTKHVGQO-LSDHHAIUSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1CC ZINC001087798866 740753981 /nfs/dbraw/zinc/75/39/81/740753981.db2.gz RIYHWONTKHVGQO-LSDHHAIUSA-N 2 1 302.422 1.916 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001075881109 741625139 /nfs/dbraw/zinc/62/51/39/741625139.db2.gz DNMHXFVSMILMBE-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881109 741625140 /nfs/dbraw/zinc/62/51/40/741625140.db2.gz DNMHXFVSMILMBE-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881109 741625141 /nfs/dbraw/zinc/62/51/41/741625141.db2.gz DNMHXFVSMILMBE-RCCFBDPRSA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241319 741839153 /nfs/dbraw/zinc/83/91/53/741839153.db2.gz WRCGXBFMXLPYGH-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241319 741839158 /nfs/dbraw/zinc/83/91/58/741839158.db2.gz WRCGXBFMXLPYGH-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CC[NH2+]C1CCC2(CC1)CN(C(=O)C[N@H+](C)CCC)CCO2 ZINC001105485312 742080269 /nfs/dbraw/zinc/08/02/69/742080269.db2.gz ASQCAHFKJRIFCH-UHFFFAOYSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=C)C)C[C@H]32)CC1 ZINC001076604424 742819284 /nfs/dbraw/zinc/81/92/84/742819284.db2.gz FEBGKSIPZDAMPG-ZWKOTPCHSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001035708810 751794895 /nfs/dbraw/zinc/79/48/95/751794895.db2.gz ZZPKZPUZCKSKLY-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CC3)C2)CC1 ZINC001035724624 751814279 /nfs/dbraw/zinc/81/42/79/751814279.db2.gz MCEQLANWMLTKOM-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC3CC3)C2)CC1 ZINC001035724624 751814285 /nfs/dbraw/zinc/81/42/85/751814285.db2.gz MCEQLANWMLTKOM-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCC)C1 ZINC001183361237 743823113 /nfs/dbraw/zinc/82/31/13/743823113.db2.gz MQYBEEMJVKJRGN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCC)C1 ZINC001183361237 743823116 /nfs/dbraw/zinc/82/31/16/743823116.db2.gz MQYBEEMJVKJRGN-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184811961 744106417 /nfs/dbraw/zinc/10/64/17/744106417.db2.gz YIFXBBBBDQLAJW-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001185119579 744164542 /nfs/dbraw/zinc/16/45/42/744164542.db2.gz HZYTXUJCQLGMIZ-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001088971138 744418967 /nfs/dbraw/zinc/41/89/67/744418967.db2.gz DQRFIVROVDXUQP-QAPCUYQASA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CN(CC)CCO3)CCC[C@@H]12 ZINC000992491392 744913920 /nfs/dbraw/zinc/91/39/20/744913920.db2.gz FJERWGJRXIQCIG-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992491392 744913924 /nfs/dbraw/zinc/91/39/24/744913924.db2.gz FJERWGJRXIQCIG-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992491392 744913926 /nfs/dbraw/zinc/91/39/26/744913926.db2.gz FJERWGJRXIQCIG-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992491392 744913929 /nfs/dbraw/zinc/91/39/29/744913929.db2.gz FJERWGJRXIQCIG-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992491392 744913934 /nfs/dbraw/zinc/91/39/34/744913934.db2.gz FJERWGJRXIQCIG-LZLYRXPVSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001205526245 745230070 /nfs/dbraw/zinc/23/00/70/745230070.db2.gz MAZMWDYWENMPKZ-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643797 745283419 /nfs/dbraw/zinc/28/34/19/745283419.db2.gz DHUOTTPEKGTLNE-OAHLLOKOSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249533 745461494 /nfs/dbraw/zinc/46/14/94/745461494.db2.gz JSIBTOYLKKYLNT-JFIYKMOQSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001191283050 745471057 /nfs/dbraw/zinc/47/10/57/745471057.db2.gz DEMWBLAAVYVVLZ-INIZCTEOSA-N 2 1 323.400 1.437 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191801288 745616381 /nfs/dbraw/zinc/61/63/81/745616381.db2.gz BCKLAKZOGXGQGO-OWCLPIDISA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001191801288 745616382 /nfs/dbraw/zinc/61/63/82/745616382.db2.gz BCKLAKZOGXGQGO-OWCLPIDISA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001191801288 745616384 /nfs/dbraw/zinc/61/63/84/745616384.db2.gz BCKLAKZOGXGQGO-OWCLPIDISA-N 2 1 311.470 1.212 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001191801288 745616386 /nfs/dbraw/zinc/61/63/86/745616386.db2.gz BCKLAKZOGXGQGO-OWCLPIDISA-N 2 1 311.470 1.212 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993475160 746165966 /nfs/dbraw/zinc/16/59/66/746165966.db2.gz FJWVYJUTMSANRI-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001194247339 746320171 /nfs/dbraw/zinc/32/01/71/746320171.db2.gz WWPSWRQCQYBQHO-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCC)C2)CC1 ZINC001194247319 746320592 /nfs/dbraw/zinc/32/05/92/746320592.db2.gz WNMDLWODOBVZRF-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001194429826 746383825 /nfs/dbraw/zinc/38/38/25/746383825.db2.gz NJPPJDXKIXNMTO-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H]1C ZINC000994501080 746697426 /nfs/dbraw/zinc/69/74/26/746697426.db2.gz SDCLKYFWGYUUTR-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089483395 747059292 /nfs/dbraw/zinc/05/92/92/747059292.db2.gz GWFYTOCRPWPSFQ-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001198113604 747385537 /nfs/dbraw/zinc/38/55/37/747385537.db2.gz XXOPBJQPPUFOTR-KRWDZBQOSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CCC)c1ccccc1OC ZINC001198967080 747664153 /nfs/dbraw/zinc/66/41/53/747664153.db2.gz BOSWJZXBKDTHQL-INIZCTEOSA-N 2 1 317.433 1.417 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1OC ZINC001198967080 747664154 /nfs/dbraw/zinc/66/41/54/747664154.db2.gz BOSWJZXBKDTHQL-INIZCTEOSA-N 2 1 317.433 1.417 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001031932249 748239157 /nfs/dbraw/zinc/23/91/57/748239157.db2.gz ZGIHIFMKFBUSFP-HNNXBMFYSA-N 2 1 302.422 1.378 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001201044033 748407063 /nfs/dbraw/zinc/40/70/63/748407063.db2.gz OGWPFBBTXAQOEK-QGZVFWFLSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001201400097 748498426 /nfs/dbraw/zinc/49/84/26/748498426.db2.gz NTXQPATWESOBFG-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075793 748500326 /nfs/dbraw/zinc/50/03/26/748500326.db2.gz FAVASUAFVPANCH-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075793 748500329 /nfs/dbraw/zinc/50/03/29/748500329.db2.gz FAVASUAFVPANCH-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033162964 748690256 /nfs/dbraw/zinc/69/02/56/748690256.db2.gz VUJADKSULAALKJ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033162964 748690265 /nfs/dbraw/zinc/69/02/65/748690265.db2.gz VUJADKSULAALKJ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001033162964 748690271 /nfs/dbraw/zinc/69/02/71/748690271.db2.gz VUJADKSULAALKJ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033162964 748690279 /nfs/dbraw/zinc/69/02/79/748690279.db2.gz VUJADKSULAALKJ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCC2CC2)C1 ZINC001033162964 748690286 /nfs/dbraw/zinc/69/02/86/748690286.db2.gz VUJADKSULAALKJ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001039286528 761911557 /nfs/dbraw/zinc/91/15/57/761911557.db2.gz ZIZRXPLLNCREIU-FBVQUNGASA-N 2 1 313.445 1.219 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001039286528 761911563 /nfs/dbraw/zinc/91/15/63/761911563.db2.gz ZIZRXPLLNCREIU-FBVQUNGASA-N 2 1 313.445 1.219 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000876839363 749335331 /nfs/dbraw/zinc/33/53/31/749335331.db2.gz UTCUUERRXJGOGP-ZIAGYGMSSA-N 2 1 311.788 1.769 20 30 DDEDMP C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577242 749553739 /nfs/dbraw/zinc/55/37/39/749553739.db2.gz ZJRJKEFVTHIARE-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001033577242 749553743 /nfs/dbraw/zinc/55/37/43/749553743.db2.gz ZJRJKEFVTHIARE-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001033577242 749553747 /nfs/dbraw/zinc/55/37/47/749553747.db2.gz ZJRJKEFVTHIARE-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033577242 749553750 /nfs/dbraw/zinc/55/37/50/749553750.db2.gz ZJRJKEFVTHIARE-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001033577242 749553756 /nfs/dbraw/zinc/55/37/56/749553756.db2.gz ZJRJKEFVTHIARE-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001108357107 761977776 /nfs/dbraw/zinc/97/77/76/761977776.db2.gz XVTTXALCAQFOAA-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357107 761977780 /nfs/dbraw/zinc/97/77/80/761977780.db2.gz XVTTXALCAQFOAA-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001108357107 761977785 /nfs/dbraw/zinc/97/77/85/761977785.db2.gz XVTTXALCAQFOAA-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862324 749772759 /nfs/dbraw/zinc/77/27/59/749772759.db2.gz JYXWSSWDIPAKEW-ZACQAIPSSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001005392157 749960687 /nfs/dbraw/zinc/96/06/87/749960687.db2.gz XTWLZCRDNMQEAT-AEFFLSMTSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444460 749965820 /nfs/dbraw/zinc/96/58/20/749965820.db2.gz JIZYOEPYNXIEMR-ZIFCJYIRSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](CC(C)C)C1)C2 ZINC001095525263 750009694 /nfs/dbraw/zinc/00/96/94/750009694.db2.gz JOCWQEKAAQQDFR-BDXSIMOUSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095525263 750009701 /nfs/dbraw/zinc/00/97/01/750009701.db2.gz JOCWQEKAAQQDFR-BDXSIMOUSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001095525263 750009708 /nfs/dbraw/zinc/00/97/08/750009708.db2.gz JOCWQEKAAQQDFR-BDXSIMOUSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495218 750040966 /nfs/dbraw/zinc/04/09/66/750040966.db2.gz KNENUHJUAGHVFU-VQIMIIECSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606215 750074291 /nfs/dbraw/zinc/07/42/91/750074291.db2.gz XHMQOEZDNUJOMK-PMPSAXMXSA-N 2 1 301.434 1.217 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001095606215 750074297 /nfs/dbraw/zinc/07/42/97/750074297.db2.gz XHMQOEZDNUJOMK-PMPSAXMXSA-N 2 1 301.434 1.217 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001095685765 750142849 /nfs/dbraw/zinc/14/28/49/750142849.db2.gz VTIAKMUPDDPTOB-PMPSAXMXSA-N 2 1 303.450 1.912 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001039424041 762020339 /nfs/dbraw/zinc/02/03/39/762020339.db2.gz YSBDQRAROHZJCI-KSZLIROESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039424041 762020346 /nfs/dbraw/zinc/02/03/46/762020346.db2.gz YSBDQRAROHZJCI-KSZLIROESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001039424041 762020354 /nfs/dbraw/zinc/02/03/54/762020354.db2.gz YSBDQRAROHZJCI-KSZLIROESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC[C@@H]1C ZINC001039437821 762033952 /nfs/dbraw/zinc/03/39/52/762033952.db2.gz ZBWIDZRWURNLCT-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001039437821 762033961 /nfs/dbraw/zinc/03/39/61/762033961.db2.gz ZBWIDZRWURNLCT-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC[C@@H]1C ZINC001039437821 762033972 /nfs/dbraw/zinc/03/39/72/762033972.db2.gz ZBWIDZRWURNLCT-BBWFWOEESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447275 762040112 /nfs/dbraw/zinc/04/01/12/762040112.db2.gz GLLYUQZYBDYTJH-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001039447275 762040120 /nfs/dbraw/zinc/04/01/20/762040120.db2.gz GLLYUQZYBDYTJH-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC=C)C2)CC1 ZINC001034538266 750540642 /nfs/dbraw/zinc/54/06/42/750540642.db2.gz KJSLAVRERRJQRQ-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538852 750542500 /nfs/dbraw/zinc/54/25/00/750542500.db2.gz SKYXQLLVDFYVQX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538852 750542501 /nfs/dbraw/zinc/54/25/01/750542501.db2.gz SKYXQLLVDFYVQX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538852 750542503 /nfs/dbraw/zinc/54/25/03/750542503.db2.gz SKYXQLLVDFYVQX-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001039474310 762062700 /nfs/dbraw/zinc/06/27/00/762062700.db2.gz AXKLPPMYDZCDON-MSOLQXFVSA-N 2 1 317.477 1.951 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2 ZINC001032498298 751082504 /nfs/dbraw/zinc/08/25/04/751082504.db2.gz NMTRNJHIEAETQU-HOTGVXAUSA-N 2 1 303.450 1.866 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035185274 751277964 /nfs/dbraw/zinc/27/79/64/751277964.db2.gz WTKFGDANWACTKC-KRWDZBQOSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001035197561 751280623 /nfs/dbraw/zinc/28/06/23/751280623.db2.gz ZKNYULNZTXNJIN-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035227803 751305750 /nfs/dbraw/zinc/30/57/50/751305750.db2.gz ZIWWAUZFOBSYLR-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035227803 751305757 /nfs/dbraw/zinc/30/57/57/751305757.db2.gz ZIWWAUZFOBSYLR-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035227803 751305763 /nfs/dbraw/zinc/30/57/63/751305763.db2.gz ZIWWAUZFOBSYLR-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007951505 752459632 /nfs/dbraw/zinc/45/96/32/752459632.db2.gz JLNPKFODOJCZTJ-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001007951505 752459635 /nfs/dbraw/zinc/45/96/35/752459635.db2.gz JLNPKFODOJCZTJ-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990635 752486555 /nfs/dbraw/zinc/48/65/55/752486555.db2.gz OUAIPZVZUUUYQC-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007990635 752486564 /nfs/dbraw/zinc/48/65/64/752486564.db2.gz OUAIPZVZUUUYQC-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007990635 752486570 /nfs/dbraw/zinc/48/65/70/752486570.db2.gz OUAIPZVZUUUYQC-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533210 752784889 /nfs/dbraw/zinc/78/48/89/752784889.db2.gz KONBZINPWLSHAK-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533210 752784892 /nfs/dbraw/zinc/78/48/92/752784892.db2.gz KONBZINPWLSHAK-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001006002152 753486483 /nfs/dbraw/zinc/48/64/83/753486483.db2.gz VJZYIEVRDYUAEP-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077980396 753556562 /nfs/dbraw/zinc/55/65/62/753556562.db2.gz VETKNIJMXJHFEF-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001077980396 753556566 /nfs/dbraw/zinc/55/65/66/753556566.db2.gz VETKNIJMXJHFEF-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077980396 753556568 /nfs/dbraw/zinc/55/65/68/753556568.db2.gz VETKNIJMXJHFEF-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001077980396 753556571 /nfs/dbraw/zinc/55/65/71/753556571.db2.gz VETKNIJMXJHFEF-BRWVUGGUSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(=C)C)CC1 ZINC001032800208 754055569 /nfs/dbraw/zinc/05/55/69/754055569.db2.gz AFPXRKKWRHGLAI-ROUUACIJSA-N 2 1 315.461 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(=C)C)CC1 ZINC001001493049 754346260 /nfs/dbraw/zinc/34/62/60/754346260.db2.gz UWZXKIWPLBBCCM-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(=C)C)CC1 ZINC001001493049 754346267 /nfs/dbraw/zinc/34/62/67/754346267.db2.gz UWZXKIWPLBBCCM-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001922822 754581969 /nfs/dbraw/zinc/58/19/69/754581969.db2.gz CBVHTLWFMCCNIM-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001000939765 762386291 /nfs/dbraw/zinc/38/62/91/762386291.db2.gz UJJCAVFBURLGSH-UHFFFAOYSA-N 2 1 321.384 1.262 20 30 DDEDMP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210482 762441090 /nfs/dbraw/zinc/44/10/90/762441090.db2.gz QXZGSTITNBOJGR-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001040210482 762441094 /nfs/dbraw/zinc/44/10/94/762441094.db2.gz QXZGSTITNBOJGR-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210482 762441097 /nfs/dbraw/zinc/44/10/97/762441097.db2.gz QXZGSTITNBOJGR-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263995 762467050 /nfs/dbraw/zinc/46/70/50/762467050.db2.gz KQHOFKHVBGYIKN-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263995 762467055 /nfs/dbraw/zinc/46/70/55/762467055.db2.gz KQHOFKHVBGYIKN-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001040263995 762467060 /nfs/dbraw/zinc/46/70/60/762467060.db2.gz KQHOFKHVBGYIKN-IEBWSBKVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001016335855 756934700 /nfs/dbraw/zinc/93/47/00/756934700.db2.gz GMDJNEDUICAFQR-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111453920 757358471 /nfs/dbraw/zinc/35/84/71/757358471.db2.gz BTOQXQBYNJSZHV-ZACQAIPSSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001097860978 757618306 /nfs/dbraw/zinc/61/83/06/757618306.db2.gz YLTPPQCJVHUAOI-OAGGEKHMSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860978 757618314 /nfs/dbraw/zinc/61/83/14/757618314.db2.gz YLTPPQCJVHUAOI-OAGGEKHMSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001097860978 757618318 /nfs/dbraw/zinc/61/83/18/757618318.db2.gz YLTPPQCJVHUAOI-OAGGEKHMSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084571750 757670595 /nfs/dbraw/zinc/67/05/95/757670595.db2.gz CNMLUPPGUVXWPA-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001052952079 758001307 /nfs/dbraw/zinc/00/13/07/758001307.db2.gz BTOCUQPKVSNQBC-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550136 758016593 /nfs/dbraw/zinc/01/65/93/758016593.db2.gz RPAKDSOMAUQXKV-LUKYLMHMSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550136 758016601 /nfs/dbraw/zinc/01/66/01/758016601.db2.gz RPAKDSOMAUQXKV-LUKYLMHMSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001017550136 758016618 /nfs/dbraw/zinc/01/66/18/758016618.db2.gz RPAKDSOMAUQXKV-LUKYLMHMSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001017550136 758016626 /nfs/dbraw/zinc/01/66/26/758016626.db2.gz RPAKDSOMAUQXKV-LUKYLMHMSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001017550136 758016634 /nfs/dbraw/zinc/01/66/34/758016634.db2.gz RPAKDSOMAUQXKV-LUKYLMHMSA-N 2 1 303.450 1.722 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001115302063 762617822 /nfs/dbraw/zinc/61/78/22/762617822.db2.gz MSAFTXPCOCRYLT-LTIDMASMSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001246247 762693272 /nfs/dbraw/zinc/69/32/72/762693272.db2.gz UCKABSMMTHNQKS-SJORKVTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001246247 762693274 /nfs/dbraw/zinc/69/32/74/762693274.db2.gz UCKABSMMTHNQKS-SJORKVTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001246247 762693275 /nfs/dbraw/zinc/69/32/75/762693275.db2.gz UCKABSMMTHNQKS-SJORKVTESA-N 2 1 301.434 1.385 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC=C)C2)C1 ZINC001054146215 759224536 /nfs/dbraw/zinc/22/45/36/759224536.db2.gz AMIQIHUULDAZKO-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC=C)C2)C1 ZINC001054146215 759224549 /nfs/dbraw/zinc/22/45/49/759224549.db2.gz AMIQIHUULDAZKO-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC=C)C2)C1 ZINC001054146215 759224559 /nfs/dbraw/zinc/22/45/59/759224559.db2.gz AMIQIHUULDAZKO-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC=C)C2)C1 ZINC001054146215 759224569 /nfs/dbraw/zinc/22/45/69/759224569.db2.gz AMIQIHUULDAZKO-HKUYNNGSSA-N 2 1 315.461 1.585 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001054227268 759316197 /nfs/dbraw/zinc/31/61/97/759316197.db2.gz GBPNENZXTVVJTI-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001054227268 759316208 /nfs/dbraw/zinc/31/62/08/759316208.db2.gz GBPNENZXTVVJTI-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001054227268 759316219 /nfs/dbraw/zinc/31/62/19/759316219.db2.gz GBPNENZXTVVJTI-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227774 759317663 /nfs/dbraw/zinc/31/76/63/759317663.db2.gz KQYRMUAKWWXXBW-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227774 759317671 /nfs/dbraw/zinc/31/76/71/759317671.db2.gz KQYRMUAKWWXXBW-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227774 759317680 /nfs/dbraw/zinc/31/76/80/759317680.db2.gz KQYRMUAKWWXXBW-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229543 759320528 /nfs/dbraw/zinc/32/05/28/759320528.db2.gz YEHIEKISNDEUHR-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639802 759912592 /nfs/dbraw/zinc/91/25/92/759912592.db2.gz WIPICPGRDMTPIZ-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639802 759912600 /nfs/dbraw/zinc/91/26/00/759912600.db2.gz WIPICPGRDMTPIZ-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639802 759912607 /nfs/dbraw/zinc/91/26/07/759912607.db2.gz WIPICPGRDMTPIZ-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085782278 760218621 /nfs/dbraw/zinc/21/86/21/760218621.db2.gz QHQXTBJSKSDBTP-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085782278 760218625 /nfs/dbraw/zinc/21/86/25/760218625.db2.gz QHQXTBJSKSDBTP-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085782278 760218630 /nfs/dbraw/zinc/21/86/30/760218630.db2.gz QHQXTBJSKSDBTP-HZPDHXFCSA-N 2 1 309.454 1.204 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901751 760494043 /nfs/dbraw/zinc/49/40/43/760494043.db2.gz LURINJUPHXCDBD-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901751 760494047 /nfs/dbraw/zinc/49/40/47/760494047.db2.gz LURINJUPHXCDBD-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001046851074 767983620 /nfs/dbraw/zinc/98/36/20/767983620.db2.gz CDUCJHHHFNWQML-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001046851074 767983622 /nfs/dbraw/zinc/98/36/22/767983622.db2.gz CDUCJHHHFNWQML-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046851074 767983625 /nfs/dbraw/zinc/98/36/25/767983625.db2.gz CDUCJHHHFNWQML-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001046851074 767983627 /nfs/dbraw/zinc/98/36/27/767983627.db2.gz CDUCJHHHFNWQML-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(C)C)C2)CC1 ZINC001046853290 767985860 /nfs/dbraw/zinc/98/58/60/767985860.db2.gz WDROTWMUFTZLPQ-GOSISDBHSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001098410978 761054251 /nfs/dbraw/zinc/05/42/51/761054251.db2.gz UWKUZPLDMLHDRJ-UHFFFAOYSA-N 2 1 311.470 1.188 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001098410978 761054258 /nfs/dbraw/zinc/05/42/58/761054258.db2.gz UWKUZPLDMLHDRJ-UHFFFAOYSA-N 2 1 311.470 1.188 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001098410978 761054266 /nfs/dbraw/zinc/05/42/66/761054266.db2.gz UWKUZPLDMLHDRJ-UHFFFAOYSA-N 2 1 311.470 1.188 20 30 DDEDMP C=C(C)CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001098449668 761780171 /nfs/dbraw/zinc/78/01/71/761780171.db2.gz HMPJJELKTUIVCE-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449668 761780176 /nfs/dbraw/zinc/78/01/76/761780176.db2.gz HMPJJELKTUIVCE-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001098449668 761780178 /nfs/dbraw/zinc/78/01/78/761780178.db2.gz HMPJJELKTUIVCE-QGZVFWFLSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039172976 761796710 /nfs/dbraw/zinc/79/67/10/761796710.db2.gz KGFIYQYJLIGLIX-DLBZAZTESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172976 761796716 /nfs/dbraw/zinc/79/67/16/761796716.db2.gz KGFIYQYJLIGLIX-DLBZAZTESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039172976 761796722 /nfs/dbraw/zinc/79/67/22/761796722.db2.gz KGFIYQYJLIGLIX-DLBZAZTESA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)CC1 ZINC001040848837 762705037 /nfs/dbraw/zinc/70/50/37/762705037.db2.gz MGFKEFYGSUTHJZ-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001001474217 762896084 /nfs/dbraw/zinc/89/60/84/762896084.db2.gz VKEJDGBKOARWKM-SFHVURJKSA-N 2 1 319.493 1.816 20 30 DDEDMP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364574 762943643 /nfs/dbraw/zinc/94/36/43/762943643.db2.gz XDTAMPVNMBCPKD-MRXNPFEDSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001041352698 762976141 /nfs/dbraw/zinc/97/61/41/762976141.db2.gz APGQWKOFCNTYOO-KRWDZBQOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041357430 762977918 /nfs/dbraw/zinc/97/79/18/762977918.db2.gz HOSMINQXJDDUHZ-FUHWJXTLSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359125 762978981 /nfs/dbraw/zinc/97/89/81/762978981.db2.gz RWTGFHHJWZGXAJ-YJBOKZPZSA-N 2 1 314.433 1.871 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001041359125 762978984 /nfs/dbraw/zinc/97/89/84/762978984.db2.gz RWTGFHHJWZGXAJ-YJBOKZPZSA-N 2 1 314.433 1.871 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001050068634 763084879 /nfs/dbraw/zinc/08/48/79/763084879.db2.gz ASLZJVPGMDFOKH-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068634 763084883 /nfs/dbraw/zinc/08/48/83/763084883.db2.gz ASLZJVPGMDFOKH-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001050068634 763084889 /nfs/dbraw/zinc/08/48/89/763084889.db2.gz ASLZJVPGMDFOKH-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103716 763138789 /nfs/dbraw/zinc/13/87/89/763138789.db2.gz OPGOWEFCCKOCSK-RCCFBDPRSA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050159373 763237775 /nfs/dbraw/zinc/23/77/75/763237775.db2.gz PNHIXDDBTDPVOU-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041790776 763335708 /nfs/dbraw/zinc/33/57/08/763335708.db2.gz BEMYGNPUJIHOJU-SFHVURJKSA-N 2 1 314.433 1.872 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041790776 763335716 /nfs/dbraw/zinc/33/57/16/763335716.db2.gz BEMYGNPUJIHOJU-SFHVURJKSA-N 2 1 314.433 1.872 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846014 763402790 /nfs/dbraw/zinc/40/27/90/763402790.db2.gz VBFWNZHFXPVQBA-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846014 763402795 /nfs/dbraw/zinc/40/27/95/763402795.db2.gz VBFWNZHFXPVQBA-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846014 763402799 /nfs/dbraw/zinc/40/27/99/763402799.db2.gz VBFWNZHFXPVQBA-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235475 763797310 /nfs/dbraw/zinc/79/73/10/763797310.db2.gz XXNSWHOKLXQLOU-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235475 763797323 /nfs/dbraw/zinc/79/73/23/763797323.db2.gz XXNSWHOKLXQLOU-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235475 763797331 /nfs/dbraw/zinc/79/73/31/763797331.db2.gz XXNSWHOKLXQLOU-CVEARBPZSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001042292111 763868122 /nfs/dbraw/zinc/86/81/22/763868122.db2.gz MJCKQXMKUIIZRK-NVXWUHKLSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848077 764129558 /nfs/dbraw/zinc/12/95/58/764129558.db2.gz VAYLYQGXJFMBCF-PMPSAXMXSA-N 2 1 307.438 1.006 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001109848077 764129560 /nfs/dbraw/zinc/12/95/60/764129560.db2.gz VAYLYQGXJFMBCF-PMPSAXMXSA-N 2 1 307.438 1.006 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052369321 765765076 /nfs/dbraw/zinc/76/50/76/765765076.db2.gz QKRSMWMODNDAPS-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052369321 765765079 /nfs/dbraw/zinc/76/50/79/765765079.db2.gz QKRSMWMODNDAPS-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052369321 765765086 /nfs/dbraw/zinc/76/50/86/765765086.db2.gz QKRSMWMODNDAPS-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052444861 765836243 /nfs/dbraw/zinc/83/62/43/765836243.db2.gz IIYXPOWTEUBGMX-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052444861 765836249 /nfs/dbraw/zinc/83/62/49/765836249.db2.gz IIYXPOWTEUBGMX-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052444861 765836256 /nfs/dbraw/zinc/83/62/56/765836256.db2.gz IIYXPOWTEUBGMX-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001045460615 766322568 /nfs/dbraw/zinc/32/25/68/766322568.db2.gz FTUQSNIDKWCSCF-AWEZNQCLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001045557077 766400262 /nfs/dbraw/zinc/40/02/62/766400262.db2.gz SUIRAAFGXUZRDR-HNNXBMFYSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001045943940 766728605 /nfs/dbraw/zinc/72/86/05/766728605.db2.gz RTGCSQFAKCMYBH-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943940 766728607 /nfs/dbraw/zinc/72/86/07/766728607.db2.gz RTGCSQFAKCMYBH-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001045943940 766728608 /nfs/dbraw/zinc/72/86/08/766728608.db2.gz RTGCSQFAKCMYBH-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001045947696 766730514 /nfs/dbraw/zinc/73/05/14/766730514.db2.gz HUGDEYDJJLWYKT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045947696 766730523 /nfs/dbraw/zinc/73/05/23/766730523.db2.gz HUGDEYDJJLWYKT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001045947696 766730533 /nfs/dbraw/zinc/73/05/33/766730533.db2.gz HUGDEYDJJLWYKT-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046371102 767480661 /nfs/dbraw/zinc/48/06/61/767480661.db2.gz GKGIFQQXSCZQQS-PBHICJAKSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046371102 767480666 /nfs/dbraw/zinc/48/06/66/767480666.db2.gz GKGIFQQXSCZQQS-PBHICJAKSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001047553485 768564979 /nfs/dbraw/zinc/56/49/79/768564979.db2.gz IHXUMGOEHSIEGN-ULQDDVLXSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553772 768565503 /nfs/dbraw/zinc/56/55/03/768565503.db2.gz WYMRXCYJOWRUSY-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553772 768565505 /nfs/dbraw/zinc/56/55/05/768565505.db2.gz WYMRXCYJOWRUSY-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553772 768565509 /nfs/dbraw/zinc/56/55/09/768565509.db2.gz WYMRXCYJOWRUSY-IKGGRYGDSA-N 2 1 323.481 1.329 20 30 DDEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132153463 768649433 /nfs/dbraw/zinc/64/94/33/768649433.db2.gz QTVIAMSNGJDMPO-JKSUJKDBSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC#CCOC)C1 ZINC001132153463 768649438 /nfs/dbraw/zinc/64/94/38/768649438.db2.gz QTVIAMSNGJDMPO-JKSUJKDBSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132153463 768649441 /nfs/dbraw/zinc/64/94/41/768649441.db2.gz QTVIAMSNGJDMPO-JKSUJKDBSA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132153463 768649444 /nfs/dbraw/zinc/64/94/44/768649444.db2.gz QTVIAMSNGJDMPO-JKSUJKDBSA-N 2 1 323.481 1.336 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001048589283 769565017 /nfs/dbraw/zinc/56/50/17/769565017.db2.gz GUXOYFDZILEBMK-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048589283 769565023 /nfs/dbraw/zinc/56/50/23/769565023.db2.gz GUXOYFDZILEBMK-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001048589283 769565031 /nfs/dbraw/zinc/56/50/31/769565031.db2.gz GUXOYFDZILEBMK-WCXIOVBPSA-N 2 1 305.466 1.873 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]2C1 ZINC001048875894 770031184 /nfs/dbraw/zinc/03/11/84/770031184.db2.gz SLSOUWIBNZWZMK-ZNMIVQPWSA-N 2 1 313.873 1.715 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821595 770125734 /nfs/dbraw/zinc/12/57/34/770125734.db2.gz QPEXDLLPTYMNQV-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821595 770125737 /nfs/dbraw/zinc/12/57/37/770125737.db2.gz QPEXDLLPTYMNQV-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001071821595 770125740 /nfs/dbraw/zinc/12/57/40/770125740.db2.gz QPEXDLLPTYMNQV-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059972 770310999 /nfs/dbraw/zinc/31/09/99/770310999.db2.gz KQIWPQDGINGKMW-NCOADZHNSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059972 770311009 /nfs/dbraw/zinc/31/10/09/770311009.db2.gz KQIWPQDGINGKMW-NCOADZHNSA-N 2 1 305.466 1.541 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C[C@H]2C1 ZINC001049059972 770311018 /nfs/dbraw/zinc/31/10/18/770311018.db2.gz KQIWPQDGINGKMW-NCOADZHNSA-N 2 1 305.466 1.541 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccccc2C#N)C1 ZINC001133846258 770355330 /nfs/dbraw/zinc/35/53/30/770355330.db2.gz XLBBTHLGSAOVNE-AWEZNQCLSA-N 2 1 300.406 1.106 20 30 DDEDMP C=C(C)CC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133918109 770454313 /nfs/dbraw/zinc/45/43/13/770454313.db2.gz PLNHYJJGLXBBNP-UHFFFAOYSA-N 2 1 303.450 1.833 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC)C2)CC1 ZINC001072095536 770536355 /nfs/dbraw/zinc/53/63/55/770536355.db2.gz KDXAHSRDXMARQO-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232100 770578489 /nfs/dbraw/zinc/57/84/89/770578489.db2.gz RFDQCJSTOVGNDN-WNKDZCFJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232100 770578494 /nfs/dbraw/zinc/57/84/94/770578494.db2.gz RFDQCJSTOVGNDN-WNKDZCFJSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049232100 770578495 /nfs/dbraw/zinc/57/84/95/770578495.db2.gz RFDQCJSTOVGNDN-WNKDZCFJSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049446069 770843894 /nfs/dbraw/zinc/84/38/94/770843894.db2.gz GRHVNUHMXOLCJB-LSDHHAIUSA-N 2 1 300.406 1.431 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761446 771140293 /nfs/dbraw/zinc/14/02/93/771140293.db2.gz KFJPNFNYSZISIS-JKSUJKDBSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761446 771140295 /nfs/dbraw/zinc/14/02/95/771140295.db2.gz KFJPNFNYSZISIS-JKSUJKDBSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020664 771281457 /nfs/dbraw/zinc/28/14/57/771281457.db2.gz ITZXYADIATUASP-HUUCEWRRSA-N 2 1 316.449 1.658 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001091068069 772500900 /nfs/dbraw/zinc/50/09/00/772500900.db2.gz DQDRKYHLSZCTEN-JXQTWKCFSA-N 2 1 322.840 1.997 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001147572977 773172386 /nfs/dbraw/zinc/17/23/86/773172386.db2.gz RINUKDSOLYXCAK-KRWDZBQOSA-N 2 1 317.477 1.829 20 30 DDEDMP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001147878283 773283725 /nfs/dbraw/zinc/28/37/25/773283725.db2.gz XILBUGZDWFXWMP-CYBMUJFWSA-N 2 1 318.396 1.245 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001147878283 773283726 /nfs/dbraw/zinc/28/37/26/773283726.db2.gz XILBUGZDWFXWMP-CYBMUJFWSA-N 2 1 318.396 1.245 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001148161029 773378251 /nfs/dbraw/zinc/37/82/51/773378251.db2.gz PXWVHJHLWAWLEL-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001148315402 773448426 /nfs/dbraw/zinc/44/84/26/773448426.db2.gz KQSYDSDLYDRGPX-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001148315402 773448430 /nfs/dbraw/zinc/44/84/30/773448430.db2.gz KQSYDSDLYDRGPX-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001148315402 773448434 /nfs/dbraw/zinc/44/84/34/773448434.db2.gz KQSYDSDLYDRGPX-UHFFFAOYSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CCOCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001148651373 773550180 /nfs/dbraw/zinc/55/01/80/773550180.db2.gz DBLQMYNXSTVFBL-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651373 773550183 /nfs/dbraw/zinc/55/01/83/773550183.db2.gz DBLQMYNXSTVFBL-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148651373 773550186 /nfs/dbraw/zinc/55/01/86/773550186.db2.gz DBLQMYNXSTVFBL-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=C)C)C[C@@]2(C)C1 ZINC001091748619 773606324 /nfs/dbraw/zinc/60/63/24/773606324.db2.gz QAJKMCMSJIVJIQ-AOIWGVFYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=C)C)C[C@@]2(C)C1 ZINC001091748619 773606329 /nfs/dbraw/zinc/60/63/29/773606329.db2.gz QAJKMCMSJIVJIQ-AOIWGVFYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=C)C)C[C@@]2(C)C1 ZINC001091748619 773606332 /nfs/dbraw/zinc/60/63/32/773606332.db2.gz QAJKMCMSJIVJIQ-AOIWGVFYSA-N 2 1 315.461 1.440 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=C)C)C[C@@]2(C)C1 ZINC001091748619 773606338 /nfs/dbraw/zinc/60/63/38/773606338.db2.gz QAJKMCMSJIVJIQ-AOIWGVFYSA-N 2 1 315.461 1.440 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010522 773919303 /nfs/dbraw/zinc/91/93/03/773919303.db2.gz FVDLGFRPZIPNCT-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010522 773919306 /nfs/dbraw/zinc/91/93/06/773919306.db2.gz FVDLGFRPZIPNCT-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@]2(C)C1 ZINC001092010522 773919312 /nfs/dbraw/zinc/91/93/12/773919312.db2.gz FVDLGFRPZIPNCT-JZXOWHBKSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371040 774551518 /nfs/dbraw/zinc/55/15/18/774551518.db2.gz GRSSXYFSSADNMP-NVXWUHKLSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371040 774551522 /nfs/dbraw/zinc/55/15/22/774551522.db2.gz GRSSXYFSSADNMP-NVXWUHKLSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371040 774551525 /nfs/dbraw/zinc/55/15/25/774551525.db2.gz GRSSXYFSSADNMP-NVXWUHKLSA-N 2 1 323.481 1.188 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036810194 774694991 /nfs/dbraw/zinc/69/49/91/774694991.db2.gz XJAJJMVWVVFMHW-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001099122863 774850426 /nfs/dbraw/zinc/85/04/26/774850426.db2.gz IIZNABRKFUIEQT-YJBOKZPZSA-N 2 1 301.434 1.076 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001099240663 774912834 /nfs/dbraw/zinc/91/28/34/774912834.db2.gz UMXOFXXXBDDGMQ-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCC[NH+](C)C ZINC001099310340 774941203 /nfs/dbraw/zinc/94/12/03/774941203.db2.gz JXMYMFAACSPECH-HNNXBMFYSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013853 775568566 /nfs/dbraw/zinc/56/85/66/775568566.db2.gz UAXQGUVCNSXMBW-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013853 775568575 /nfs/dbraw/zinc/56/85/75/775568575.db2.gz UAXQGUVCNSXMBW-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001100013853 775568584 /nfs/dbraw/zinc/56/85/84/775568584.db2.gz UAXQGUVCNSXMBW-CABCVRRESA-N 2 1 311.470 1.092 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001101009649 776821575 /nfs/dbraw/zinc/82/15/75/776821575.db2.gz WXHJKEVNWKHUMN-UYSNPLJNSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001101009649 776821582 /nfs/dbraw/zinc/82/15/82/776821582.db2.gz WXHJKEVNWKHUMN-UYSNPLJNSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101341594 777084472 /nfs/dbraw/zinc/08/44/72/777084472.db2.gz LCGWPGWKZXINGM-WBVHZDCISA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157099 777906684 /nfs/dbraw/zinc/90/66/84/777906684.db2.gz AAWKWEONVFCSPT-HUUCEWRRSA-N 2 1 316.449 1.632 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC001102157099 777906686 /nfs/dbraw/zinc/90/66/86/777906686.db2.gz AAWKWEONVFCSPT-HUUCEWRRSA-N 2 1 316.449 1.632 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)CCCC[NH2+]CC#CCOC ZINC001176024876 778003694 /nfs/dbraw/zinc/00/36/94/778003694.db2.gz SSYSWTYILZHGEO-MRXNPFEDSA-N 2 1 311.470 1.243 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001150605952 778168791 /nfs/dbraw/zinc/16/87/91/778168791.db2.gz AFJDHUUDNAWUIE-MRXNPFEDSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177120144 778434424 /nfs/dbraw/zinc/43/44/24/778434424.db2.gz UGJAEDAYBIWFLD-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@@H]21 ZINC001177120144 778434429 /nfs/dbraw/zinc/43/44/29/778434429.db2.gz UGJAEDAYBIWFLD-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP CC[NH+](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1C ZINC001103550492 778938595 /nfs/dbraw/zinc/93/85/95/778938595.db2.gz SLWSNKVLFYYEDF-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396957 779357442 /nfs/dbraw/zinc/35/74/42/779357442.db2.gz YEKBHIKBUWFOCU-YESZJQIVSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396957 779357447 /nfs/dbraw/zinc/35/74/47/779357447.db2.gz YEKBHIKBUWFOCU-YESZJQIVSA-N 2 1 323.481 1.641 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855936 779519626 /nfs/dbraw/zinc/51/96/26/779519626.db2.gz SMQKWWVBINLFBR-YJBOKZPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359726 779736150 /nfs/dbraw/zinc/73/61/50/779736150.db2.gz HOMPAXMGUHVUNL-HPFXQQBRSA-N 2 1 303.450 1.178 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001267277012 837727007 /nfs/dbraw/zinc/72/70/07/837727007.db2.gz XMUWKBNPGJYUKW-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001267277012 837727011 /nfs/dbraw/zinc/72/70/11/837727011.db2.gz XMUWKBNPGJYUKW-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001267277012 837727020 /nfs/dbraw/zinc/72/70/20/837727020.db2.gz XMUWKBNPGJYUKW-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC=C(C)C)CCC ZINC001267315876 837812165 /nfs/dbraw/zinc/81/21/65/837812165.db2.gz YIEIURBMOPDYGL-KRWDZBQOSA-N 2 1 305.466 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC=C(C)C)CCC ZINC001267315876 837812183 /nfs/dbraw/zinc/81/21/83/837812183.db2.gz YIEIURBMOPDYGL-KRWDZBQOSA-N 2 1 305.466 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC=C(C)C)CCC ZINC001267315876 837812197 /nfs/dbraw/zinc/81/21/97/837812197.db2.gz YIEIURBMOPDYGL-KRWDZBQOSA-N 2 1 305.466 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC=C(C)C)CCC ZINC001267315876 837812209 /nfs/dbraw/zinc/81/22/09/837812209.db2.gz YIEIURBMOPDYGL-KRWDZBQOSA-N 2 1 305.466 1.878 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266487187 836335209 /nfs/dbraw/zinc/33/52/09/836335209.db2.gz VMWHGVKVCJRYPK-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266708828 836703601 /nfs/dbraw/zinc/70/36/01/836703601.db2.gz ZHXZVEUMKRBYBP-HRCADAONSA-N 2 1 316.449 1.957 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266898238 837022763 /nfs/dbraw/zinc/02/27/63/837022763.db2.gz UBWYNPYHBIMITF-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001267543885 838278276 /nfs/dbraw/zinc/27/82/76/838278276.db2.gz GYJVPQMQKKWQCK-JKSUJKDBSA-N 2 1 314.433 1.297 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267563091 838313361 /nfs/dbraw/zinc/31/33/61/838313361.db2.gz RLJIROUKPGHRIE-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267563091 838313370 /nfs/dbraw/zinc/31/33/70/838313370.db2.gz RLJIROUKPGHRIE-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CC#CC)C2)CC1 ZINC001267597398 838396752 /nfs/dbraw/zinc/39/67/52/838396752.db2.gz WMALWYGBZXFMJZ-KRWDZBQOSA-N 2 1 315.461 1.135 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882743 844362915 /nfs/dbraw/zinc/36/29/15/844362915.db2.gz QEWWMZTXRDMGEB-SOUVJXGZSA-N 2 1 300.406 1.479 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075882743 844362926 /nfs/dbraw/zinc/36/29/26/844362926.db2.gz QEWWMZTXRDMGEB-SOUVJXGZSA-N 2 1 300.406 1.479 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@H]1CCCO1 ZINC001268459270 840232825 /nfs/dbraw/zinc/23/28/25/840232825.db2.gz RCIIKYSFVFQCJN-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@H]1CCCO1 ZINC001268459270 840232836 /nfs/dbraw/zinc/23/28/36/840232836.db2.gz RCIIKYSFVFQCJN-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268797492 840825981 /nfs/dbraw/zinc/82/59/81/840825981.db2.gz PVHXQZUOEKYMIX-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001270159232 842343651 /nfs/dbraw/zinc/34/36/51/842343651.db2.gz PHGJBZMBPXPKQK-KRWDZBQOSA-N 2 1 323.400 1.485 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC#CCOC ZINC001270194273 842370942 /nfs/dbraw/zinc/37/09/42/842370942.db2.gz PYPCJCJIPVXVES-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001270248410 842423316 /nfs/dbraw/zinc/42/33/16/842423316.db2.gz ADGFRTVIYKOQMU-SFHVURJKSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816955 847200121 /nfs/dbraw/zinc/20/01/21/847200121.db2.gz KRPIKLWEOBCFEJ-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816955 847200127 /nfs/dbraw/zinc/20/01/27/847200127.db2.gz KRPIKLWEOBCFEJ-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816955 847200139 /nfs/dbraw/zinc/20/01/39/847200139.db2.gz KRPIKLWEOBCFEJ-RDJZCZTQSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001005519463 848082935 /nfs/dbraw/zinc/08/29/35/848082935.db2.gz VFSXUZPKFPDLTA-WBVHZDCISA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001005519463 848082936 /nfs/dbraw/zinc/08/29/36/848082936.db2.gz VFSXUZPKFPDLTA-WBVHZDCISA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238741 848165093 /nfs/dbraw/zinc/16/50/93/848165093.db2.gz MILAEJUYIMITMK-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238741 848165095 /nfs/dbraw/zinc/16/50/95/848165095.db2.gz MILAEJUYIMITMK-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238741 848165098 /nfs/dbraw/zinc/16/50/98/848165098.db2.gz MILAEJUYIMITMK-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3nc[nH]c32)C1 ZINC001034401917 848469027 /nfs/dbraw/zinc/46/90/27/848469027.db2.gz WXNRZOYAJNYCKZ-UONOGXRCSA-N 2 1 302.422 1.986 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CCC[C@]23CCN(CCCC#N)C3=O)C1 ZINC001273144844 848568283 /nfs/dbraw/zinc/56/82/83/848568283.db2.gz SXAAQMFPMKKMGU-FUHWJXTLSA-N 2 1 318.465 1.699 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CCC[C@]23CCN(CCCC#N)C3=O)C1 ZINC001273144844 848568288 /nfs/dbraw/zinc/56/82/88/848568288.db2.gz SXAAQMFPMKKMGU-FUHWJXTLSA-N 2 1 318.465 1.699 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2CCC[C@]23CCN(CCCC#N)C3=O)C1 ZINC001273144844 848568293 /nfs/dbraw/zinc/56/82/93/848568293.db2.gz SXAAQMFPMKKMGU-FUHWJXTLSA-N 2 1 318.465 1.699 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2CCC[C@]23CCN(CCCC#N)C3=O)C1 ZINC001273144844 848568294 /nfs/dbraw/zinc/56/82/94/848568294.db2.gz SXAAQMFPMKKMGU-FUHWJXTLSA-N 2 1 318.465 1.699 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCCN(C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145183 848571654 /nfs/dbraw/zinc/57/16/54/848571654.db2.gz VIASUNJRUGCOHL-MAUKXSAKSA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273145183 848571660 /nfs/dbraw/zinc/57/16/60/848571660.db2.gz VIASUNJRUGCOHL-MAUKXSAKSA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145183 848571664 /nfs/dbraw/zinc/57/16/64/848571664.db2.gz VIASUNJRUGCOHL-MAUKXSAKSA-N 2 1 319.449 1.355 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001155283165 861931661 /nfs/dbraw/zinc/93/16/61/861931661.db2.gz LDCDXPLQAAUXIC-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001155283165 861931666 /nfs/dbraw/zinc/93/16/66/861931666.db2.gz LDCDXPLQAAUXIC-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001155283165 861931674 /nfs/dbraw/zinc/93/16/74/861931674.db2.gz LDCDXPLQAAUXIC-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001149860416 861947037 /nfs/dbraw/zinc/94/70/37/861947037.db2.gz DDQLAUUITFLNMZ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001149860416 861947051 /nfs/dbraw/zinc/94/70/51/861947051.db2.gz DDQLAUUITFLNMZ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCO[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001149860416 861947064 /nfs/dbraw/zinc/94/70/64/861947064.db2.gz DDQLAUUITFLNMZ-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP N#Cc1cc(Cl)nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)c1 ZINC001155363895 861997071 /nfs/dbraw/zinc/99/70/71/861997071.db2.gz RRJYNIBTQNXGIP-ZDUSSCGKSA-N 2 1 305.813 1.466 20 30 DDEDMP COCC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273559886 851094337 /nfs/dbraw/zinc/09/43/37/851094337.db2.gz FSAAAXOBSCUYHZ-MRXNPFEDSA-N 2 1 311.470 1.003 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150385457 862212683 /nfs/dbraw/zinc/21/26/83/862212683.db2.gz AZADUVAQRXPCEI-OAHLLOKOSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001150385457 862212695 /nfs/dbraw/zinc/21/26/95/862212695.db2.gz AZADUVAQRXPCEI-OAHLLOKOSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001274398310 852230677 /nfs/dbraw/zinc/23/06/77/852230677.db2.gz JHPGQUZNMKJBRD-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001274398310 852230689 /nfs/dbraw/zinc/23/06/89/852230689.db2.gz JHPGQUZNMKJBRD-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001327996185 862619115 /nfs/dbraw/zinc/61/91/15/862619115.db2.gz SXCHQXAKBASJAG-CVEARBPZSA-N 2 1 303.450 1.607 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3CC#N)[C@@H]2C1 ZINC001276242620 855036150 /nfs/dbraw/zinc/03/61/50/855036150.db2.gz PMDCEPWHLAVRBQ-RBUKOAKNSA-N 2 1 312.461 1.820 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001006446021 855448084 /nfs/dbraw/zinc/44/80/84/855448084.db2.gz QUAZXKZCKZSXEN-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156064209 862692166 /nfs/dbraw/zinc/69/21/66/862692166.db2.gz QMJRLWCWNVWRKQ-CQSZACIVSA-N 2 1 313.405 1.894 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001156064209 862692174 /nfs/dbraw/zinc/69/21/74/862692174.db2.gz QMJRLWCWNVWRKQ-CQSZACIVSA-N 2 1 313.405 1.894 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC=C)C2 ZINC001072822380 857758825 /nfs/dbraw/zinc/75/88/25/857758825.db2.gz DQYAQZZOQGFWDG-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC=C)C2 ZINC001072822380 857758830 /nfs/dbraw/zinc/75/88/30/857758830.db2.gz DQYAQZZOQGFWDG-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC=C)C2 ZINC001072822380 857758833 /nfs/dbraw/zinc/75/88/33/857758833.db2.gz DQYAQZZOQGFWDG-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC=C)C2 ZINC001072822380 857758837 /nfs/dbraw/zinc/75/88/37/857758837.db2.gz DQYAQZZOQGFWDG-INIZCTEOSA-N 2 1 301.434 1.194 20 30 DDEDMP C=CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC001121773650 858593608 /nfs/dbraw/zinc/59/36/08/858593608.db2.gz UBHOXUAWTNQFDJ-AILYUCJNSA-N 2 1 305.466 1.777 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001276969348 881376784 /nfs/dbraw/zinc/37/67/84/881376784.db2.gz BSIBOWPTQKOYDC-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CC ZINC001328695083 863154069 /nfs/dbraw/zinc/15/40/69/863154069.db2.gz ZFYITQXIMQASMW-IEBWSBKVSA-N 2 1 313.445 1.723 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818920 864131867 /nfs/dbraw/zinc/13/18/67/864131867.db2.gz GEPQUERASUDMCH-CABCVRRESA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001153818920 864131871 /nfs/dbraw/zinc/13/18/71/864131871.db2.gz GEPQUERASUDMCH-CABCVRRESA-N 2 1 302.422 1.610 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCc1cncn1C ZINC001158806438 864914623 /nfs/dbraw/zinc/91/46/23/864914623.db2.gz JSPZGWQSDGMPSD-QGZVFWFLSA-N 2 1 316.449 1.689 20 30 DDEDMP CCC(=O)On1nc2c(c1NC=C1CC[NH2+]CC1)C[NH2+]C2(C)C ZINC001159386597 865266390 /nfs/dbraw/zinc/26/63/90/865266390.db2.gz LEOSCHGVOGPXEK-UHFFFAOYSA-N 2 1 319.409 1.266 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCCC)CC2)C1 ZINC001332011640 865501821 /nfs/dbraw/zinc/50/18/21/865501821.db2.gz HGDAKZRRWIIWAO-KRWDZBQOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCCC)CC2)C1 ZINC001332011640 865501826 /nfs/dbraw/zinc/50/18/26/865501826.db2.gz HGDAKZRRWIIWAO-KRWDZBQOSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169320 865707683 /nfs/dbraw/zinc/70/76/83/865707683.db2.gz PMCLIXZWNRMEDV-ZWKOTPCHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169320 865707686 /nfs/dbraw/zinc/70/76/86/865707686.db2.gz PMCLIXZWNRMEDV-ZWKOTPCHSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169320 865707693 /nfs/dbraw/zinc/70/76/93/865707693.db2.gz PMCLIXZWNRMEDV-ZWKOTPCHSA-N 2 1 317.477 1.878 20 30 DDEDMP Cc1cc(Cl)nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1C#N ZINC001160512482 865895516 /nfs/dbraw/zinc/89/55/16/865895516.db2.gz VYCTWZAEYYXHIM-OAHLLOKOSA-N 2 1 305.813 1.750 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001333447365 866753704 /nfs/dbraw/zinc/75/37/04/866753704.db2.gz KUVURNYRCANZRG-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001333447365 866753716 /nfs/dbraw/zinc/75/37/16/866753716.db2.gz KUVURNYRCANZRG-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C=CCOCC[NH+]1CCC(C)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001324321854 867202584 /nfs/dbraw/zinc/20/25/84/867202584.db2.gz HIYUPZCNYHFXBI-UHFFFAOYSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324791211 867526887 /nfs/dbraw/zinc/52/68/87/867526887.db2.gz VDSJSKFOGKZFRI-GOSISDBHSA-N 2 1 307.482 1.816 20 30 DDEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001316999454 870102721 /nfs/dbraw/zinc/10/27/21/870102721.db2.gz NIIMJBYHTFFVPL-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001316999454 870102727 /nfs/dbraw/zinc/10/27/27/870102727.db2.gz NIIMJBYHTFFVPL-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001317327830 870650777 /nfs/dbraw/zinc/65/07/77/870650777.db2.gz WUOPPPPIKQBEDN-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001317327830 870650789 /nfs/dbraw/zinc/65/07/89/870650789.db2.gz WUOPPPPIKQBEDN-ROUUACIJSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001316687851 871082482 /nfs/dbraw/zinc/08/24/82/871082482.db2.gz VOIFMBVFBNJGST-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC001340825157 871373583 /nfs/dbraw/zinc/37/35/83/871373583.db2.gz WNGHZDCMAMRNOG-INIZCTEOSA-N 2 1 310.486 1.060 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317809128 871534387 /nfs/dbraw/zinc/53/43/87/871534387.db2.gz LXLJMODRAKSKGK-MRXNPFEDSA-N 2 1 321.465 1.113 20 30 DDEDMP C=CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001317869846 871607645 /nfs/dbraw/zinc/60/76/45/871607645.db2.gz ZBJWBOPLCJFMNU-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001317869846 871607659 /nfs/dbraw/zinc/60/76/59/871607659.db2.gz ZBJWBOPLCJFMNU-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001317869846 871607672 /nfs/dbraw/zinc/60/76/72/871607672.db2.gz ZBJWBOPLCJFMNU-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001317869846 871607689 /nfs/dbraw/zinc/60/76/89/871607689.db2.gz ZBJWBOPLCJFMNU-KRWDZBQOSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC=C)C2)CC1 ZINC001318374204 871967750 /nfs/dbraw/zinc/96/77/50/871967750.db2.gz MWSJQAAGGZSVJE-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001318483370 872108332 /nfs/dbraw/zinc/10/83/32/872108332.db2.gz QPVDZSVUJWYPOU-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001318483370 872108338 /nfs/dbraw/zinc/10/83/38/872108338.db2.gz QPVDZSVUJWYPOU-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)C[N@H+](C)CCCCCC)CC1 ZINC001206615747 872477980 /nfs/dbraw/zinc/47/79/80/872477980.db2.gz PKENSQCSBQALSQ-UHFFFAOYSA-N 2 1 307.482 1.960 20 30 DDEDMP N#Cc1cc(F)cc(-c2noc([C@@H]([NH3+])CSCC[NH3+])n2)c1 ZINC001206624931 872483134 /nfs/dbraw/zinc/48/31/34/872483134.db2.gz CZQGCYLBBKQXMI-NSHDSACASA-N 2 1 307.354 1.439 20 30 DDEDMP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001343426587 872620644 /nfs/dbraw/zinc/62/06/44/872620644.db2.gz YKVFFQSDBFONAZ-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001210350403 875342134 /nfs/dbraw/zinc/34/21/34/875342134.db2.gz QUJFXYFHKSYJFC-INIZCTEOSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001211176683 875696764 /nfs/dbraw/zinc/69/67/64/875696764.db2.gz NCCAHZJVKSFJFJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001211176683 875696767 /nfs/dbraw/zinc/69/67/67/875696767.db2.gz NCCAHZJVKSFJFJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP COCC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001227308377 882964079 /nfs/dbraw/zinc/96/40/79/882964079.db2.gz UXGRCJYJBQBZFA-QGZVFWFLSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](OC)C1 ZINC001213678239 876018004 /nfs/dbraw/zinc/01/80/04/876018004.db2.gz KZTPTKXKTCSNFQ-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678239 876018017 /nfs/dbraw/zinc/01/80/17/876018017.db2.gz KZTPTKXKTCSNFQ-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@H](OC)C1 ZINC001213678239 876018033 /nfs/dbraw/zinc/01/80/33/876018033.db2.gz KZTPTKXKTCSNFQ-BZUAXINKSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388616 876313162 /nfs/dbraw/zinc/31/31/62/876313162.db2.gz DSRDUAFGRFWZGE-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388616 876313174 /nfs/dbraw/zinc/31/31/74/876313174.db2.gz DSRDUAFGRFWZGE-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796923 878517430 /nfs/dbraw/zinc/51/74/30/878517430.db2.gz XFZAWWYMPHHGSP-ZACQAIPSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796923 878517447 /nfs/dbraw/zinc/51/74/47/878517447.db2.gz XFZAWWYMPHHGSP-ZACQAIPSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796923 878517468 /nfs/dbraw/zinc/51/74/68/878517468.db2.gz XFZAWWYMPHHGSP-ZACQAIPSSA-N 2 1 323.481 1.092 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220548064 879088287 /nfs/dbraw/zinc/08/82/87/879088287.db2.gz VBVOSMANDSYNGZ-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220548064 879088300 /nfs/dbraw/zinc/08/83/00/879088300.db2.gz VBVOSMANDSYNGZ-CVEARBPZSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001221772709 880071004 /nfs/dbraw/zinc/07/10/04/880071004.db2.gz KOTANBAVKQRDEV-HZPDHXFCSA-N 2 1 321.465 1.064 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016674 880187468 /nfs/dbraw/zinc/18/74/68/880187468.db2.gz VWMMDRLHHXYUNP-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222016674 880187473 /nfs/dbraw/zinc/18/74/73/880187473.db2.gz VWMMDRLHHXYUNP-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222086037 880232214 /nfs/dbraw/zinc/23/22/14/880232214.db2.gz BHEROCKJXLBAON-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222086037 880232227 /nfs/dbraw/zinc/23/22/27/880232227.db2.gz BHEROCKJXLBAON-QGZVFWFLSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001276933076 881158199 /nfs/dbraw/zinc/15/81/99/881158199.db2.gz VIWFXVQJZHXARY-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001276933076 881158201 /nfs/dbraw/zinc/15/82/01/881158201.db2.gz VIWFXVQJZHXARY-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001276933076 881158206 /nfs/dbraw/zinc/15/82/06/881158206.db2.gz VIWFXVQJZHXARY-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001276933076 881158210 /nfs/dbraw/zinc/15/82/10/881158210.db2.gz VIWFXVQJZHXARY-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001229185227 883862196 /nfs/dbraw/zinc/86/21/96/883862196.db2.gz JICPXIXHDDYRCH-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC001277403684 884080224 /nfs/dbraw/zinc/08/02/24/884080224.db2.gz LWDZWRCKHHLLTH-GEZBDVBVSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC001277403684 884080235 /nfs/dbraw/zinc/08/02/35/884080235.db2.gz LWDZWRCKHHLLTH-GEZBDVBVSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C/C=C\Cl)CC1 ZINC001277403684 884080249 /nfs/dbraw/zinc/08/02/49/884080249.db2.gz LWDZWRCKHHLLTH-GEZBDVBVSA-N 2 1 323.868 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)C/C=C\Cl)CC1 ZINC001277403684 884080265 /nfs/dbraw/zinc/08/02/65/884080265.db2.gz LWDZWRCKHHLLTH-GEZBDVBVSA-N 2 1 323.868 1.759 20 30 DDEDMP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001277413002 884125643 /nfs/dbraw/zinc/12/56/43/884125643.db2.gz IVPXZQPUFPCJSM-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001277413002 884125651 /nfs/dbraw/zinc/12/56/51/884125651.db2.gz IVPXZQPUFPCJSM-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C=C(C)C[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001277413002 884125656 /nfs/dbraw/zinc/12/56/56/884125656.db2.gz IVPXZQPUFPCJSM-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001230592246 884628678 /nfs/dbraw/zinc/62/86/78/884628678.db2.gz VXYCUHWWLDRITF-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001277502049 885450567 /nfs/dbraw/zinc/45/05/67/885450567.db2.gz ZLOFHHZHBMEDBU-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001277502049 885450583 /nfs/dbraw/zinc/45/05/83/885450583.db2.gz ZLOFHHZHBMEDBU-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001277502049 885450596 /nfs/dbraw/zinc/45/05/96/885450596.db2.gz ZLOFHHZHBMEDBU-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001277656054 886311426 /nfs/dbraw/zinc/31/14/26/886311426.db2.gz WFUSFCLDMVWHOT-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001277785791 887040131 /nfs/dbraw/zinc/04/01/31/887040131.db2.gz OKTCHTRHVPYWJA-ZBFHGGJFSA-N 2 1 320.437 1.363 20 30 DDEDMP N#CC1(NC(=O)[C@@]23C[C@@H]2CC[N@H+]3CC2CC[NH2+]CC2)CCC1 ZINC001277821430 887512097 /nfs/dbraw/zinc/51/20/97/887512097.db2.gz IBPYBYMGIFDGAB-WMLDXEAASA-N 2 1 302.422 1.013 20 30 DDEDMP C=CCN1C(=O)CC[C@]12CCC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235575848 888768022 /nfs/dbraw/zinc/76/80/22/888768022.db2.gz QKQJBBHUBKNTCC-YJBOKZPZSA-N 2 1 321.465 1.744 20 30 DDEDMP C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235575848 888768030 /nfs/dbraw/zinc/76/80/30/888768030.db2.gz QKQJBBHUBKNTCC-YJBOKZPZSA-N 2 1 321.465 1.744 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)Cc1cccnc1 ZINC001246304203 892528542 /nfs/dbraw/zinc/52/85/42/892528542.db2.gz LCWJXPUFHMWSKH-ZBFHGGJFSA-N 2 1 305.422 1.829 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246305412 892528593 /nfs/dbraw/zinc/52/85/93/892528593.db2.gz RDWPOOFJWLXSTQ-OWCLPIDISA-N 3 1 311.470 1.579 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CCC(=O)OC ZINC001246306877 892529581 /nfs/dbraw/zinc/52/95/81/892529581.db2.gz YTIUXOOQPSQVQC-OLZOCXBDSA-N 2 1 300.399 1.145 20 30 DDEDMP C=C[C@@](C)(O)C[NH2+]Cc1ccccc1C[NH+]1CCN(C)CC1 ZINC001252574661 895287261 /nfs/dbraw/zinc/28/72/61/895287261.db2.gz OTSDPVIOPBEPIU-GOSISDBHSA-N 2 1 303.450 1.461 20 30 DDEDMP C=CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001278768305 896302013 /nfs/dbraw/zinc/30/20/13/896302013.db2.gz TXJFCUYIQVJKSB-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254500654 896462156 /nfs/dbraw/zinc/46/21/56/896462156.db2.gz XHHCUXZKSUJBML-SJORKVTESA-N 2 1 315.461 1.966 20 30 DDEDMP C=C(C)C[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001278800656 896543928 /nfs/dbraw/zinc/54/39/28/896543928.db2.gz PDHPQASLPRYHMW-AEFFLSMTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001278800656 896543946 /nfs/dbraw/zinc/54/39/46/896543946.db2.gz PDHPQASLPRYHMW-AEFFLSMTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001278800656 896543961 /nfs/dbraw/zinc/54/39/61/896543961.db2.gz PDHPQASLPRYHMW-AEFFLSMTSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCCN1CC(O)(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001278867798 896942310 /nfs/dbraw/zinc/94/23/10/896942310.db2.gz CLMNYJWOQSVQJD-AWEZNQCLSA-N 2 1 320.437 1.136 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1CC ZINC001278970275 897612706 /nfs/dbraw/zinc/61/27/06/897612706.db2.gz YMHWRHUFILLSKO-ROUUACIJSA-N 2 1 313.445 1.723 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367731593 897615926 /nfs/dbraw/zinc/61/59/26/897615926.db2.gz MTPMPPOMUGEZCK-JJRVBVJISA-N 2 1 314.433 1.493 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001263870320 900787204 /nfs/dbraw/zinc/78/72/04/900787204.db2.gz UKLBRMCCXUGEEU-BRWVUGGUSA-N 2 1 305.466 1.616 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1OCC ZINC001263963882 900846545 /nfs/dbraw/zinc/84/65/45/900846545.db2.gz OHLCVESERIAWQF-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001265177373 901669278 /nfs/dbraw/zinc/66/92/78/901669278.db2.gz QRINULYKZQFKER-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001265177373 901669283 /nfs/dbraw/zinc/66/92/83/901669283.db2.gz QRINULYKZQFKER-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC001266007256 902744381 /nfs/dbraw/zinc/74/43/81/902744381.db2.gz VYNSCBSNJRLHEY-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[NH2+][C@@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001266181076 903072952 /nfs/dbraw/zinc/07/29/52/903072952.db2.gz UNSNTEXHVNFVJE-AWEZNQCLSA-N 2 1 311.389 1.389 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279588761 903338968 /nfs/dbraw/zinc/33/89/68/903338968.db2.gz UPOCHQMCYMDNHV-BRWVUGGUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001279695258 903388652 /nfs/dbraw/zinc/38/86/52/903388652.db2.gz KQKPKVGUSWOABL-UHFFFAOYSA-N 2 1 303.450 1.634 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001281100764 904399340 /nfs/dbraw/zinc/39/93/40/904399340.db2.gz OOAPEEJUHBAQFT-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001281100764 904399356 /nfs/dbraw/zinc/39/93/56/904399356.db2.gz OOAPEEJUHBAQFT-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001281100764 904399368 /nfs/dbraw/zinc/39/93/68/904399368.db2.gz OOAPEEJUHBAQFT-GOSISDBHSA-N 2 1 305.466 1.666 20 30 DDEDMP C=CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001281265952 904631876 /nfs/dbraw/zinc/63/18/76/904631876.db2.gz JCXYBZKAPIFNQI-UHFFFAOYSA-N 2 1 311.470 1.405 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC001371476952 905063752 /nfs/dbraw/zinc/06/37/52/905063752.db2.gz XANAYKYJCNLXFR-IUODEOHRSA-N 2 1 318.396 1.243 20 30 DDEDMP C=CCC[NH2+]CCCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001282580226 905878499 /nfs/dbraw/zinc/87/84/99/905878499.db2.gz MVCFUDKTNDEFRT-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1cccc(C#N)c1 ZINC001394136794 908938093 /nfs/dbraw/zinc/93/80/93/908938093.db2.gz OHXVSIGUPWXYMH-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001394136794 908938108 /nfs/dbraw/zinc/93/81/08/908938108.db2.gz OHXVSIGUPWXYMH-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001394136794 908938118 /nfs/dbraw/zinc/93/81/18/908938118.db2.gz OHXVSIGUPWXYMH-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP CC[C@@H]1C[NH+](CC#CC[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000342130918 529385283 /nfs/dbraw/zinc/38/52/83/529385283.db2.gz PGJGAASPZFSJAP-QZTJIDSGSA-N 2 1 308.466 1.992 20 30 DDEDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000181686874 199338182 /nfs/dbraw/zinc/33/81/82/199338182.db2.gz GSCOUYUDAJEBTO-AWEZNQCLSA-N 2 1 300.406 1.373 20 30 DDEDMP CCc1noc(CC)c1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000087001695 353746009 /nfs/dbraw/zinc/74/60/09/353746009.db2.gz AURQREJFKRKXLX-GFCCVEGCSA-N 2 1 307.442 1.688 20 30 DDEDMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000592185122 355528514 /nfs/dbraw/zinc/52/85/14/355528514.db2.gz SHRAADRBUFDRKF-SJORKVTESA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)C[C@H](C)O1 ZINC000594441315 356216551 /nfs/dbraw/zinc/21/65/51/356216551.db2.gz QTJYQSQJGFXJOQ-QLFBSQMISA-N 2 1 310.442 1.013 20 30 DDEDMP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)c2cccc(C#N)c2)CC1 ZINC000595641012 356589474 /nfs/dbraw/zinc/58/94/74/356589474.db2.gz WMIXJCATCGTQSU-UHFFFAOYSA-N 2 1 314.433 1.547 20 30 DDEDMP N#Cc1ccc(CC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000595890107 356693546 /nfs/dbraw/zinc/69/35/46/356693546.db2.gz BRPWYJGYHMDUCD-QGZVFWFLSA-N 2 1 310.405 1.488 20 30 DDEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432157 357933661 /nfs/dbraw/zinc/93/36/61/357933661.db2.gz KCHUNJJDYAPFHK-FUHWJXTLSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432157 357933662 /nfs/dbraw/zinc/93/36/62/357933662.db2.gz KCHUNJJDYAPFHK-FUHWJXTLSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432157 357933663 /nfs/dbraw/zinc/93/36/63/357933663.db2.gz KCHUNJJDYAPFHK-FUHWJXTLSA-N 2 1 321.465 1.475 20 30 DDEDMP COc1cc(C)cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000130655244 407704269 /nfs/dbraw/zinc/70/42/69/407704269.db2.gz QVCVJHIFKWQLBZ-UHFFFAOYSA-N 2 1 320.437 1.130 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C#N ZINC000191123973 408374510 /nfs/dbraw/zinc/37/45/10/408374510.db2.gz RMMHHXDRQLVJOS-AWEZNQCLSA-N 2 1 302.422 1.487 20 30 DDEDMP C=CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1ccco1 ZINC000338293334 409881020 /nfs/dbraw/zinc/88/10/20/409881020.db2.gz XVYSKEZOSJJKEU-UHFFFAOYSA-N 2 1 305.422 1.474 20 30 DDEDMP C=CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCc1ccco1 ZINC000338293334 409881029 /nfs/dbraw/zinc/88/10/29/409881029.db2.gz XVYSKEZOSJJKEU-UHFFFAOYSA-N 2 1 305.422 1.474 20 30 DDEDMP C=CCNC(=O)[C@H](C)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117210 418561283 /nfs/dbraw/zinc/56/12/83/418561283.db2.gz MJNUNDUBGUWLDK-HNNXBMFYSA-N 2 1 316.449 1.669 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245926147 222219134 /nfs/dbraw/zinc/21/91/34/222219134.db2.gz UFJRNYRNDQYGAZ-GJZGRUSLSA-N 2 1 317.437 1.435 20 30 DDEDMP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245926147 222219135 /nfs/dbraw/zinc/21/91/35/222219135.db2.gz UFJRNYRNDQYGAZ-GJZGRUSLSA-N 2 1 317.437 1.435 20 30 DDEDMP C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262015841 222270163 /nfs/dbraw/zinc/27/01/63/222270163.db2.gz XSCQRNPVDVQWGJ-QMTHXVAHSA-N 2 1 321.494 1.908 20 30 DDEDMP C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262015840 222270727 /nfs/dbraw/zinc/27/07/27/222270727.db2.gz XSCQRNPVDVQWGJ-IINYFYTJSA-N 2 1 321.494 1.908 20 30 DDEDMP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262451231 222280632 /nfs/dbraw/zinc/28/06/32/222280632.db2.gz VZWGIVUFFXSOAY-SUYBPPKGSA-N 2 1 308.470 1.592 20 30 DDEDMP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262451231 222280634 /nfs/dbraw/zinc/28/06/34/222280634.db2.gz VZWGIVUFFXSOAY-SUYBPPKGSA-N 2 1 308.470 1.592 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])N2CCO[C@H](C)C2)cn1 ZINC000262436466 222281179 /nfs/dbraw/zinc/28/11/79/222281179.db2.gz GLVGVXNYODQUEC-GFCCVEGCSA-N 2 1 314.393 1.111 20 30 DDEDMP C[C@@H]1C[NH+]=C(NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)N1 ZINC000262681749 222290262 /nfs/dbraw/zinc/29/02/62/222290262.db2.gz WLVYYOZJMISNCH-KFWWJZLASA-N 2 1 316.449 1.733 20 30 DDEDMP C[NH+]=C(NCC1CCOCC1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262751336 222290547 /nfs/dbraw/zinc/29/05/47/222290547.db2.gz CAAJCMVOLJSFIR-HNNXBMFYSA-N 2 1 314.499 1.015 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1COC ZINC000264069198 222312938 /nfs/dbraw/zinc/31/29/38/222312938.db2.gz CRIQOXXKJLCCOH-INIZCTEOSA-N 2 1 304.438 1.722 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000264071075 222313121 /nfs/dbraw/zinc/31/31/21/222313121.db2.gz DEPZEFRFASGTKP-AWEZNQCLSA-N 2 1 319.453 1.305 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCn1nc(C)cc1C ZINC000264130290 222321943 /nfs/dbraw/zinc/32/19/43/222321943.db2.gz TZQYZWNCTXVRQN-HNNXBMFYSA-N 2 1 306.458 1.279 20 30 DDEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000527128126 421358157 /nfs/dbraw/zinc/35/81/57/421358157.db2.gz ZFLCPZZBPWJFBX-UHFFFAOYSA-N 2 1 306.454 1.601 20 30 DDEDMP C[N@@H+](CCC(=O)NC1(C#N)CC[NH+](C)CC1)C1CCCCC1 ZINC000564705919 421592733 /nfs/dbraw/zinc/59/27/33/421592733.db2.gz XSOOJDVIAYIKKE-UHFFFAOYSA-N 2 1 306.454 1.745 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000519161813 421683568 /nfs/dbraw/zinc/68/35/68/421683568.db2.gz OQUQCEOHHKMVGT-MRXNPFEDSA-N 2 1 300.406 1.378 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103786 423335341 /nfs/dbraw/zinc/33/53/41/423335341.db2.gz ONGNTRUFNSLRNX-INIZCTEOSA-N 2 1 321.465 1.372 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103786 423335343 /nfs/dbraw/zinc/33/53/43/423335343.db2.gz ONGNTRUFNSLRNX-INIZCTEOSA-N 2 1 321.465 1.372 20 30 DDEDMP C=CCOc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647493347 424066992 /nfs/dbraw/zinc/06/69/92/424066992.db2.gz HCXPSBQPUZDCRD-UHFFFAOYSA-N 2 1 319.449 1.597 20 30 DDEDMP C=CC[C@@]1(C(=O)N2CC[N@H+](CCOC)[C@@H](CCC)C2)CCC[NH2+]1 ZINC000662825757 424780136 /nfs/dbraw/zinc/78/01/36/424780136.db2.gz NGEFUVYULVQLAZ-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[C@@]1(C(=O)N2CC[N@@H+](CCOC)[C@@H](CCC)C2)CCC[NH2+]1 ZINC000662825757 424780138 /nfs/dbraw/zinc/78/01/38/424780138.db2.gz NGEFUVYULVQLAZ-WMZOPIPTSA-N 2 1 323.481 1.644 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)o1 ZINC000339655363 276183665 /nfs/dbraw/zinc/18/36/65/276183665.db2.gz MIVIFGNPSZZBNM-AWEZNQCLSA-N 2 1 318.421 1.639 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC000570444354 332756246 /nfs/dbraw/zinc/75/62/46/332756246.db2.gz PNHJQJIUYONDJQ-UHFFFAOYSA-N 2 1 324.465 1.711 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000491546330 526809905 /nfs/dbraw/zinc/80/99/05/526809905.db2.gz VNWPVGKUIHHDAY-INIZCTEOSA-N 2 1 320.481 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000491730617 526810687 /nfs/dbraw/zinc/81/06/87/526810687.db2.gz PJVRCUHZYHJSEO-QGZVFWFLSA-N 2 1 320.481 1.601 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000491652821 526812972 /nfs/dbraw/zinc/81/29/72/526812972.db2.gz MRIZIPOHLJCWMF-DLBZAZTESA-N 2 1 314.433 1.078 20 30 DDEDMP CC[N@@H+]1CCc2nc(NC(=O)[C@H]([NH3+])CCCC#N)sc2C1 ZINC000424136070 527904155 /nfs/dbraw/zinc/90/41/55/527904155.db2.gz NIUFBAWOOBACAC-SNVBAGLBSA-N 2 1 307.423 1.481 20 30 DDEDMP CC[N@H+]1CCc2nc(NC(=O)[C@H]([NH3+])CCCC#N)sc2C1 ZINC000424136070 527904164 /nfs/dbraw/zinc/90/41/64/527904164.db2.gz NIUFBAWOOBACAC-SNVBAGLBSA-N 2 1 307.423 1.481 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431700 695249691 /nfs/dbraw/zinc/24/96/91/695249691.db2.gz UZNWNCSRNAMQSA-NVXWUHKLSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537135 695275421 /nfs/dbraw/zinc/27/54/21/695275421.db2.gz FNKQYCOQCGBYAV-AEFFLSMTSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537135 695275423 /nfs/dbraw/zinc/27/54/23/695275423.db2.gz FNKQYCOQCGBYAV-AEFFLSMTSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537136 695275522 /nfs/dbraw/zinc/27/55/22/695275522.db2.gz FNKQYCOQCGBYAV-SJLPKXTDSA-N 2 1 323.481 1.452 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC000972537136 695275523 /nfs/dbraw/zinc/27/55/23/695275523.db2.gz FNKQYCOQCGBYAV-SJLPKXTDSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974577464 695688758 /nfs/dbraw/zinc/68/87/58/695688758.db2.gz NRQBEHXJFLUNSX-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974577464 695688759 /nfs/dbraw/zinc/68/87/59/695688759.db2.gz NRQBEHXJFLUNSX-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974577464 695688761 /nfs/dbraw/zinc/68/87/61/695688761.db2.gz NRQBEHXJFLUNSX-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041196 695783191 /nfs/dbraw/zinc/78/31/91/695783191.db2.gz RLCFJHKKIANEJI-KSSFIOAISA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041196 695783193 /nfs/dbraw/zinc/78/31/93/695783193.db2.gz RLCFJHKKIANEJI-KSSFIOAISA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041196 695783195 /nfs/dbraw/zinc/78/31/95/695783195.db2.gz RLCFJHKKIANEJI-KSSFIOAISA-N 2 1 323.456 1.659 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C(C)(C)C1 ZINC000975041196 695783197 /nfs/dbraw/zinc/78/31/97/695783197.db2.gz RLCFJHKKIANEJI-KSSFIOAISA-N 2 1 323.456 1.659 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978141755 696330229 /nfs/dbraw/zinc/33/02/29/696330229.db2.gz JOPSOLPOZHBWIO-VQHPVUNQSA-N 2 1 303.450 1.198 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978263266 696353647 /nfs/dbraw/zinc/35/36/47/696353647.db2.gz BYMAEGNYBZDDKP-JONQDZQNSA-N 2 1 312.417 1.078 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC000978263266 696353650 /nfs/dbraw/zinc/35/36/50/696353650.db2.gz BYMAEGNYBZDDKP-JONQDZQNSA-N 2 1 312.417 1.078 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC000978282483 696357797 /nfs/dbraw/zinc/35/77/97/696357797.db2.gz NPHYAJWFLBRZKK-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC000978282483 696357801 /nfs/dbraw/zinc/35/78/01/696357801.db2.gz NPHYAJWFLBRZKK-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC000978282483 696357804 /nfs/dbraw/zinc/35/78/04/696357804.db2.gz NPHYAJWFLBRZKK-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(C)C)C[C@H]21 ZINC000978282483 696357806 /nfs/dbraw/zinc/35/78/06/696357806.db2.gz NPHYAJWFLBRZKK-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(C)C)C[C@H]21 ZINC000978282483 696357809 /nfs/dbraw/zinc/35/78/09/696357809.db2.gz NPHYAJWFLBRZKK-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CCCC1 ZINC000133887471 696830867 /nfs/dbraw/zinc/83/08/67/696830867.db2.gz BORLFTHOLARCGA-UHFFFAOYSA-N 2 1 310.486 1.829 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981767741 696908474 /nfs/dbraw/zinc/90/84/74/696908474.db2.gz VBXCJUCHZMOVPX-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981767741 696908476 /nfs/dbraw/zinc/90/84/76/696908476.db2.gz VBXCJUCHZMOVPX-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC000981767741 696908479 /nfs/dbraw/zinc/90/84/79/696908479.db2.gz VBXCJUCHZMOVPX-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767279 696908576 /nfs/dbraw/zinc/90/85/76/696908576.db2.gz LFQHWFAJHGBTLV-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767279 696908580 /nfs/dbraw/zinc/90/85/80/696908580.db2.gz LFQHWFAJHGBTLV-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767279 696908583 /nfs/dbraw/zinc/90/85/83/696908583.db2.gz LFQHWFAJHGBTLV-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC(C)C)C2 ZINC000981818844 696930163 /nfs/dbraw/zinc/93/01/63/696930163.db2.gz FSFJKIIQNSVFDV-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC(C)C)C2 ZINC000981818844 696930165 /nfs/dbraw/zinc/93/01/65/696930165.db2.gz FSFJKIIQNSVFDV-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(C)C)C2 ZINC000981818844 696930166 /nfs/dbraw/zinc/93/01/66/696930166.db2.gz FSFJKIIQNSVFDV-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC(C)C)C2 ZINC000981818844 696930168 /nfs/dbraw/zinc/93/01/68/696930168.db2.gz FSFJKIIQNSVFDV-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC000981870998 696949277 /nfs/dbraw/zinc/94/92/77/696949277.db2.gz LNOHRGRANPYNED-UHFFFAOYSA-N 2 1 301.434 1.172 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC=C(C)C)CC1 ZINC000981365723 697076499 /nfs/dbraw/zinc/07/64/99/697076499.db2.gz WZVSNCCVJNUPQK-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC000981365641 697076593 /nfs/dbraw/zinc/07/65/93/697076593.db2.gz RYGJNDSVEJSYHW-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC000981365641 697076595 /nfs/dbraw/zinc/07/65/95/697076595.db2.gz RYGJNDSVEJSYHW-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC000981365641 697076597 /nfs/dbraw/zinc/07/65/97/697076597.db2.gz RYGJNDSVEJSYHW-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC(C)C)CC1 ZINC000981365641 697076599 /nfs/dbraw/zinc/07/65/99/697076599.db2.gz RYGJNDSVEJSYHW-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC(C)C)CC1 ZINC000981365641 697076600 /nfs/dbraw/zinc/07/66/00/697076600.db2.gz RYGJNDSVEJSYHW-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179109011 697433873 /nfs/dbraw/zinc/43/38/73/697433873.db2.gz PZYYPPFODGDAKG-KBPBESRZSA-N 2 1 324.469 1.177 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000985495768 697519618 /nfs/dbraw/zinc/51/96/18/697519618.db2.gz KJDASNOBPGYACM-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000985495768 697519620 /nfs/dbraw/zinc/51/96/20/697519620.db2.gz KJDASNOBPGYACM-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000985495768 697519621 /nfs/dbraw/zinc/51/96/21/697519621.db2.gz KJDASNOBPGYACM-SJORKVTESA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)[C@H]1C ZINC000987103157 697993654 /nfs/dbraw/zinc/99/36/54/697993654.db2.gz DWGKMMGQSMURSH-GJZGRUSLSA-N 2 1 302.422 1.609 20 30 DDEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)NC[C@H]1CCCO1 ZINC000303265171 698604389 /nfs/dbraw/zinc/60/43/89/698604389.db2.gz UIXIIAHZBUSHIZ-QGZVFWFLSA-N 2 1 316.449 1.518 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000303877538 698608050 /nfs/dbraw/zinc/60/80/50/698608050.db2.gz IPTOYTMEYWZQQI-CVEARBPZSA-N 2 1 323.529 1.886 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303877538 698608053 /nfs/dbraw/zinc/60/80/53/698608053.db2.gz IPTOYTMEYWZQQI-CVEARBPZSA-N 3 1 323.529 1.886 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000303877538 698608056 /nfs/dbraw/zinc/60/80/56/698608056.db2.gz IPTOYTMEYWZQQI-CVEARBPZSA-N 3 1 323.529 1.886 20 30 DDEDMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000303908571 698610983 /nfs/dbraw/zinc/61/09/83/698610983.db2.gz XQCOXORQBQVKKM-ZDUSSCGKSA-N 2 1 318.421 1.916 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N(C)C)cc1C ZINC000304762376 698625008 /nfs/dbraw/zinc/62/50/08/698625008.db2.gz VQGWKWSHJNDWFO-KRWDZBQOSA-N 2 1 317.481 1.950 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC000990612218 699107533 /nfs/dbraw/zinc/10/75/33/699107533.db2.gz HAXRUJDDZWQCDT-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC000990612218 699107535 /nfs/dbraw/zinc/10/75/35/699107535.db2.gz HAXRUJDDZWQCDT-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC000990612218 699107537 /nfs/dbraw/zinc/10/75/37/699107537.db2.gz HAXRUJDDZWQCDT-YQVWRLOYSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991063573 699219491 /nfs/dbraw/zinc/21/94/91/699219491.db2.gz BFMXBSWFOGNUQU-RVKKMQEKSA-N 2 1 312.417 1.507 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@H]12 ZINC000991063573 699219493 /nfs/dbraw/zinc/21/94/93/699219493.db2.gz BFMXBSWFOGNUQU-RVKKMQEKSA-N 2 1 312.417 1.507 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000840521833 702139740 /nfs/dbraw/zinc/13/97/40/702139740.db2.gz KHQHURRNTJBLEI-INIZCTEOSA-N 2 1 301.434 1.837 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000840521833 702139743 /nfs/dbraw/zinc/13/97/43/702139743.db2.gz KHQHURRNTJBLEI-INIZCTEOSA-N 2 1 301.434 1.837 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000841910923 702615268 /nfs/dbraw/zinc/61/52/68/702615268.db2.gz VRFUGDBQCRWLMP-DLBZAZTESA-N 2 1 320.481 1.363 20 30 DDEDMP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000843062921 702811380 /nfs/dbraw/zinc/81/13/80/702811380.db2.gz UHORSBXDKAKXBS-IRXDYDNUSA-N 2 1 303.406 1.028 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763363 704118209 /nfs/dbraw/zinc/11/82/09/704118209.db2.gz QMRCLAAIMHWMSO-CYBMUJFWSA-N 2 1 309.845 1.751 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763363 704118212 /nfs/dbraw/zinc/11/82/12/704118212.db2.gz QMRCLAAIMHWMSO-CYBMUJFWSA-N 2 1 309.845 1.751 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852858648 704150669 /nfs/dbraw/zinc/15/06/69/704150669.db2.gz GIHXXAAGIOCJTG-UHFFFAOYSA-N 2 1 323.400 1.195 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000876727859 705842724 /nfs/dbraw/zinc/84/27/24/705842724.db2.gz UBFBFEZHJWSDHU-RDTXWAMCSA-N 2 1 324.428 1.346 20 30 DDEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@H]21 ZINC000877248537 706033754 /nfs/dbraw/zinc/03/37/54/706033754.db2.gz BDFUSURMXDEMTH-NXHRZFHOSA-N 2 1 324.428 1.298 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@@H+](CC)CCC)C1 ZINC000884366911 708265691 /nfs/dbraw/zinc/26/56/91/708265691.db2.gz MDJMEZKIDBIRBT-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@H+](CC)CCC)C1 ZINC000884366911 708265694 /nfs/dbraw/zinc/26/56/94/708265694.db2.gz MDJMEZKIDBIRBT-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+](CC)CCC)C1 ZINC000884366911 708265697 /nfs/dbraw/zinc/26/56/97/708265697.db2.gz MDJMEZKIDBIRBT-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+](CC)CCC)C1 ZINC000884366911 708265700 /nfs/dbraw/zinc/26/57/00/708265700.db2.gz MDJMEZKIDBIRBT-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CC[NH+](C)CC1 ZINC000886574640 708779450 /nfs/dbraw/zinc/77/94/50/708779450.db2.gz NHTRHIPRSYXFQA-OAHLLOKOSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC000896488314 711732053 /nfs/dbraw/zinc/73/20/53/711732053.db2.gz GSOVYDJJFPZINZ-IAGOWNOFSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@H](C[NH+](CC)CC)C2)C1 ZINC000896488314 711732054 /nfs/dbraw/zinc/73/20/54/711732054.db2.gz GSOVYDJJFPZINZ-IAGOWNOFSA-N 2 1 320.481 1.457 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000908086037 712682650 /nfs/dbraw/zinc/68/26/50/712682650.db2.gz QBAQLCOXSMZXNV-GOSISDBHSA-N 2 1 315.461 1.880 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000908086037 712682652 /nfs/dbraw/zinc/68/26/52/712682652.db2.gz QBAQLCOXSMZXNV-GOSISDBHSA-N 2 1 315.461 1.880 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429333 714094026 /nfs/dbraw/zinc/09/40/26/714094026.db2.gz DYVFPVFFIRXHTL-OWCLPIDISA-N 2 1 318.465 1.601 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931429333 714094028 /nfs/dbraw/zinc/09/40/28/714094028.db2.gz DYVFPVFFIRXHTL-OWCLPIDISA-N 2 1 318.465 1.601 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931429333 714094029 /nfs/dbraw/zinc/09/40/29/714094029.db2.gz DYVFPVFFIRXHTL-OWCLPIDISA-N 2 1 318.465 1.601 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931429333 714094030 /nfs/dbraw/zinc/09/40/30/714094030.db2.gz DYVFPVFFIRXHTL-OWCLPIDISA-N 2 1 318.465 1.601 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2 ZINC000963960780 717955380 /nfs/dbraw/zinc/95/53/80/717955380.db2.gz IICOVVXPCZZKLU-HVEGKCCWSA-N 2 1 303.450 1.509 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]C(C)C)C2 ZINC000963960780 717955384 /nfs/dbraw/zinc/95/53/84/717955384.db2.gz IICOVVXPCZZKLU-HVEGKCCWSA-N 2 1 303.450 1.509 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000961439279 716947501 /nfs/dbraw/zinc/94/75/01/716947501.db2.gz HBZBVGKIALAJNA-SFHVURJKSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941032966 717081332 /nfs/dbraw/zinc/08/13/32/717081332.db2.gz KKJBIIIULVWPOJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941032966 717081335 /nfs/dbraw/zinc/08/13/35/717081335.db2.gz KKJBIIIULVWPOJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C(C)(C)C1 ZINC000941032966 717081339 /nfs/dbraw/zinc/08/13/39/717081339.db2.gz KKJBIIIULVWPOJ-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2[C@H]3C[N@H+](C/C=C\Cl)C[C@@H]23)CC1 ZINC000962780529 717586887 /nfs/dbraw/zinc/58/68/87/717586887.db2.gz SQQNWCSCPFAKDT-GTMJJHNBSA-N 2 1 321.852 1.131 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000965912320 717811097 /nfs/dbraw/zinc/81/10/97/717811097.db2.gz LRICOPGZBWEJEE-UHFFFAOYSA-N 2 1 322.840 1.961 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC000944169301 718265278 /nfs/dbraw/zinc/26/52/78/718265278.db2.gz NOYFEMZQEGGOBR-GDBMZVCRSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC000948449500 719505204 /nfs/dbraw/zinc/50/52/04/719505204.db2.gz SFJZHEIGUHCPNF-ROUUACIJSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC#C)CC1 ZINC000948449500 719505210 /nfs/dbraw/zinc/50/52/10/719505210.db2.gz SFJZHEIGUHCPNF-ROUUACIJSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC000948449500 719505214 /nfs/dbraw/zinc/50/52/14/719505214.db2.gz SFJZHEIGUHCPNF-ROUUACIJSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC000948449500 719505220 /nfs/dbraw/zinc/50/52/20/719505220.db2.gz SFJZHEIGUHCPNF-ROUUACIJSA-N 2 1 315.461 1.420 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000968796234 719791570 /nfs/dbraw/zinc/79/15/70/719791570.db2.gz GICNLHQZKRZFDL-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000968796234 719791576 /nfs/dbraw/zinc/79/15/76/719791576.db2.gz GICNLHQZKRZFDL-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796234 719791579 /nfs/dbraw/zinc/79/15/79/719791579.db2.gz GICNLHQZKRZFDL-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000968796234 719791581 /nfs/dbraw/zinc/79/15/81/719791581.db2.gz GICNLHQZKRZFDL-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968956190 719896736 /nfs/dbraw/zinc/89/67/36/719896736.db2.gz CXOTVPNUTWFSMW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC000968956190 719896741 /nfs/dbraw/zinc/89/67/41/719896741.db2.gz CXOTVPNUTWFSMW-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000969962698 720577916 /nfs/dbraw/zinc/57/79/16/720577916.db2.gz PYXDXJVYHDWLNP-RHSMWYFYSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550335 735304996 /nfs/dbraw/zinc/30/49/96/735304996.db2.gz ZEUYLNQTAOBXCQ-MSOLQXFVSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023550335 735304999 /nfs/dbraw/zinc/30/49/99/735304999.db2.gz ZEUYLNQTAOBXCQ-MSOLQXFVSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023550335 735305004 /nfs/dbraw/zinc/30/50/04/735305004.db2.gz ZEUYLNQTAOBXCQ-MSOLQXFVSA-N 2 1 319.493 1.960 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588207 735326538 /nfs/dbraw/zinc/32/65/38/735326538.db2.gz STTSTMCUYQFPCA-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001023588207 735326540 /nfs/dbraw/zinc/32/65/40/735326540.db2.gz STTSTMCUYQFPCA-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001023694812 735402272 /nfs/dbraw/zinc/40/22/72/735402272.db2.gz LSOHMGINOZGBGB-KRWDZBQOSA-N 2 1 317.477 1.570 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576035 738424112 /nfs/dbraw/zinc/42/41/12/738424112.db2.gz IZSIWMYPIZAVKG-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576035 738424113 /nfs/dbraw/zinc/42/41/13/738424113.db2.gz IZSIWMYPIZAVKG-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576035 738424116 /nfs/dbraw/zinc/42/41/16/738424116.db2.gz IZSIWMYPIZAVKG-CRAIPNDOSA-N 2 1 323.456 1.755 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192044 732531760 /nfs/dbraw/zinc/53/17/60/732531760.db2.gz GPYWXIVBBIQNGC-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192044 732531763 /nfs/dbraw/zinc/53/17/63/732531763.db2.gz GPYWXIVBBIQNGC-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192044 732531768 /nfs/dbraw/zinc/53/17/68/732531768.db2.gz GPYWXIVBBIQNGC-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083192044 732531772 /nfs/dbraw/zinc/53/17/72/732531772.db2.gz GPYWXIVBBIQNGC-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001167236289 732852018 /nfs/dbraw/zinc/85/20/18/732852018.db2.gz JLZJSEVJUIRZNA-CVEARBPZSA-N 2 1 323.481 1.263 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC)CC1 ZINC001021470057 733223742 /nfs/dbraw/zinc/22/37/42/733223742.db2.gz UHIJIXUKHLQQAB-ALOPSCKCSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2ccnc2)C1 ZINC001039224357 733279963 /nfs/dbraw/zinc/27/99/63/733279963.db2.gz FAYBBMMELQYILS-IRXDYDNUSA-N 2 1 314.433 1.609 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001022597786 734630186 /nfs/dbraw/zinc/63/01/86/734630186.db2.gz PSJYQUCSPZTCIS-HZSPNIEDSA-N 2 1 315.845 1.085 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001022597786 734630189 /nfs/dbraw/zinc/63/01/89/734630189.db2.gz PSJYQUCSPZTCIS-HZSPNIEDSA-N 2 1 315.845 1.085 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001023423605 735224619 /nfs/dbraw/zinc/22/46/19/735224619.db2.gz ANVDDKSSQMEFCV-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001023423605 735224622 /nfs/dbraw/zinc/22/46/22/735224622.db2.gz ANVDDKSSQMEFCV-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(=C)C)C1 ZINC001023423605 735224625 /nfs/dbraw/zinc/22/46/25/735224625.db2.gz ANVDDKSSQMEFCV-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC(=C)C)C1 ZINC001023423605 735224626 /nfs/dbraw/zinc/22/46/26/735224626.db2.gz ANVDDKSSQMEFCV-ROUUACIJSA-N 2 1 317.477 1.878 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC=C)C1 ZINC001023421830 735225242 /nfs/dbraw/zinc/22/52/42/735225242.db2.gz IHIWPLWLJGKNPQ-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC=C)C1 ZINC001023421830 735225244 /nfs/dbraw/zinc/22/52/44/735225244.db2.gz IHIWPLWLJGKNPQ-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC=C)C1 ZINC001023421830 735225246 /nfs/dbraw/zinc/22/52/46/735225246.db2.gz IHIWPLWLJGKNPQ-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC=C)C1 ZINC001023421830 735225248 /nfs/dbraw/zinc/22/52/48/735225248.db2.gz IHIWPLWLJGKNPQ-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023450979 735243183 /nfs/dbraw/zinc/24/31/83/735243183.db2.gz LCXNFIRMJGQDOA-KRWDZBQOSA-N 2 1 317.477 1.714 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001024516077 735892840 /nfs/dbraw/zinc/89/28/40/735892840.db2.gz GHYRPVQHHKYKIM-CVEARBPZSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001027986602 738909742 /nfs/dbraw/zinc/90/97/42/738909742.db2.gz ZKNGZJOBSVUXBC-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986602 738909746 /nfs/dbraw/zinc/90/97/46/738909746.db2.gz ZKNGZJOBSVUXBC-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001027986602 738909750 /nfs/dbraw/zinc/90/97/50/738909750.db2.gz ZKNGZJOBSVUXBC-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001024712292 736039348 /nfs/dbraw/zinc/03/93/48/736039348.db2.gz SXNMFAJQNDFWNS-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001025596329 736775674 /nfs/dbraw/zinc/77/56/74/736775674.db2.gz APWRFAPLIDAISD-LSDHHAIUSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](CC=C)C2)CC1 ZINC001025629028 736795870 /nfs/dbraw/zinc/79/58/70/736795870.db2.gz ZBXIAQSPGYPTRB-AEFFLSMTSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@H]1C ZINC001104777256 737196150 /nfs/dbraw/zinc/19/61/50/737196150.db2.gz BDSGVCRREWRZPY-BZUAXINKSA-N 2 1 316.449 1.686 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001026514632 737628793 /nfs/dbraw/zinc/62/87/93/737628793.db2.gz MKYXUKSREKAALQ-PRLABOORSA-N 2 1 309.454 1.299 20 30 DDEDMP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001026514632 737628795 /nfs/dbraw/zinc/62/87/95/737628795.db2.gz MKYXUKSREKAALQ-PRLABOORSA-N 2 1 309.454 1.299 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001042357859 737935792 /nfs/dbraw/zinc/93/57/92/737935792.db2.gz MEXGSIWLSLDTLF-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@@H]2C1 ZINC001075904707 741881304 /nfs/dbraw/zinc/88/13/04/741881304.db2.gz IFZGAIPXIIBCSF-DSJMHWKBSA-N 2 1 300.406 1.622 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC001075904707 741881309 /nfs/dbraw/zinc/88/13/09/741881309.db2.gz IFZGAIPXIIBCSF-DSJMHWKBSA-N 2 1 300.406 1.622 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)[C@@H]2C1 ZINC001075904707 741881314 /nfs/dbraw/zinc/88/13/14/741881314.db2.gz IFZGAIPXIIBCSF-DSJMHWKBSA-N 2 1 300.406 1.622 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001027410398 738270917 /nfs/dbraw/zinc/27/09/17/738270917.db2.gz CISYEHRXUGUHKR-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001027493448 738347550 /nfs/dbraw/zinc/34/75/50/738347550.db2.gz GNRPJHPDDKXIKY-CQSZACIVSA-N 2 1 310.829 1.867 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027979762 738901480 /nfs/dbraw/zinc/90/14/80/738901480.db2.gz ABXOOSRZXWZUSU-HUUCEWRRSA-N 2 1 302.422 1.602 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164149 751401903 /nfs/dbraw/zinc/40/19/03/751401903.db2.gz UZPWVPAMYABFLY-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001032586919 751426383 /nfs/dbraw/zinc/42/63/83/751426383.db2.gz HCCONWVLKVKMHN-QAETUUGQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032586919 751426389 /nfs/dbraw/zinc/42/63/89/751426389.db2.gz HCCONWVLKVKMHN-QAETUUGQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001032586919 751426392 /nfs/dbraw/zinc/42/63/92/751426392.db2.gz HCCONWVLKVKMHN-QAETUUGQSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544577 739650423 /nfs/dbraw/zinc/65/04/23/739650423.db2.gz GEOAJVJXVPGNBF-HIFRSBDPSA-N 2 1 311.857 1.519 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001028544577 739650425 /nfs/dbraw/zinc/65/04/25/739650425.db2.gz GEOAJVJXVPGNBF-HIFRSBDPSA-N 2 1 311.857 1.519 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646578 739846808 /nfs/dbraw/zinc/84/68/08/739846808.db2.gz ZHNJDKZOVCJEGB-CYBMUJFWSA-N 2 1 306.410 1.364 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001028646578 739846815 /nfs/dbraw/zinc/84/68/15/739846815.db2.gz ZHNJDKZOVCJEGB-CYBMUJFWSA-N 2 1 306.410 1.364 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CCC(=C)C)C2)CC1 ZINC001029003257 740247971 /nfs/dbraw/zinc/24/79/71/740247971.db2.gz JTGVAJLYVLPNLS-KRWDZBQOSA-N 2 1 317.477 1.736 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810393 740619599 /nfs/dbraw/zinc/61/95/99/740619599.db2.gz ASYOZAHQYLVBJU-LXTVHRRPSA-N 2 1 311.857 1.612 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810393 740619601 /nfs/dbraw/zinc/61/96/01/740619601.db2.gz ASYOZAHQYLVBJU-LXTVHRRPSA-N 2 1 311.857 1.612 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810393 740619603 /nfs/dbraw/zinc/61/96/03/740619603.db2.gz ASYOZAHQYLVBJU-LXTVHRRPSA-N 2 1 311.857 1.612 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001075810393 740619605 /nfs/dbraw/zinc/61/96/05/740619605.db2.gz ASYOZAHQYLVBJU-LXTVHRRPSA-N 2 1 311.857 1.612 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)[C@H]1CC ZINC001087602172 740672931 /nfs/dbraw/zinc/67/29/31/740672931.db2.gz CEHLBDQFDAPUTH-RRFJBIMHSA-N 2 1 300.406 1.363 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087602172 740672934 /nfs/dbraw/zinc/67/29/34/740672934.db2.gz CEHLBDQFDAPUTH-RRFJBIMHSA-N 2 1 300.406 1.363 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1CC ZINC001037935028 751574202 /nfs/dbraw/zinc/57/42/02/751574202.db2.gz BDXQXMCETBVGMQ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC000998189290 751580018 /nfs/dbraw/zinc/58/00/18/751580018.db2.gz NBMAEQICUJXBRQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998189290 751580027 /nfs/dbraw/zinc/58/00/27/751580027.db2.gz NBMAEQICUJXBRQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998189290 751580035 /nfs/dbraw/zinc/58/00/35/751580035.db2.gz NBMAEQICUJXBRQ-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993770 740934083 /nfs/dbraw/zinc/93/40/83/740934083.db2.gz BRSIZYLLWZLGOG-PMPSAXMXSA-N 2 1 314.433 1.727 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087993770 740934088 /nfs/dbraw/zinc/93/40/88/740934088.db2.gz BRSIZYLLWZLGOG-PMPSAXMXSA-N 2 1 314.433 1.727 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150443 741065437 /nfs/dbraw/zinc/06/54/37/741065437.db2.gz CVLGNDXKMLVAEW-SJORKVTESA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075876769 741452877 /nfs/dbraw/zinc/45/28/77/741452877.db2.gz VJVXBRXEQODMPT-RCCFBDPRSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876769 741452880 /nfs/dbraw/zinc/45/28/80/741452880.db2.gz VJVXBRXEQODMPT-RCCFBDPRSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075876769 741452881 /nfs/dbraw/zinc/45/28/81/741452881.db2.gz VJVXBRXEQODMPT-RCCFBDPRSA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001107982059 751642302 /nfs/dbraw/zinc/64/23/02/751642302.db2.gz OFYUTJPWLZHKKN-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001107982059 751642307 /nfs/dbraw/zinc/64/23/07/751642307.db2.gz OFYUTJPWLZHKKN-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026491 741946556 /nfs/dbraw/zinc/94/65/56/741946556.db2.gz NDUABINUZCRILL-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H](OC)C1 ZINC001212026491 741946560 /nfs/dbraw/zinc/94/65/60/741946560.db2.gz NDUABINUZCRILL-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H](OC)C1 ZINC001212026491 741946565 /nfs/dbraw/zinc/94/65/65/741946565.db2.gz NDUABINUZCRILL-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H](OC)C1 ZINC001212026491 741946567 /nfs/dbraw/zinc/94/65/67/741946567.db2.gz NDUABINUZCRILL-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001076418595 742721517 /nfs/dbraw/zinc/72/15/17/742721517.db2.gz GLSRGDXCTONRRV-ZWKOTPCHSA-N 2 1 317.477 1.663 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001035722253 751811789 /nfs/dbraw/zinc/81/17/89/751811789.db2.gz NCMGUMWFMQYDIV-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001182384875 743587123 /nfs/dbraw/zinc/58/71/23/743587123.db2.gz KXBQPFJDIJFZPJ-JFIYKMOQSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001182384875 743587130 /nfs/dbraw/zinc/58/71/30/743587130.db2.gz KXBQPFJDIJFZPJ-JFIYKMOQSA-N 2 1 323.481 1.356 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001186604442 744426630 /nfs/dbraw/zinc/42/66/30/744426630.db2.gz DGSJHDMNZZOOEA-QGZVFWFLSA-N 2 1 319.493 1.912 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001186808928 744446759 /nfs/dbraw/zinc/44/67/59/744446759.db2.gz UOBWKRVLSHUDIH-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001187284506 744534527 /nfs/dbraw/zinc/53/45/27/744534527.db2.gz YQNYETBIPZOXIO-GFCCVEGCSA-N 2 1 318.259 1.427 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001187291104 744535474 /nfs/dbraw/zinc/53/54/74/744535474.db2.gz IDVDLDHEDQRLEX-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127797 744831143 /nfs/dbraw/zinc/83/11/43/744831143.db2.gz ZUIKDWMBUCYYTD-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127797 744831147 /nfs/dbraw/zinc/83/11/47/744831147.db2.gz ZUIKDWMBUCYYTD-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001189127797 744831150 /nfs/dbraw/zinc/83/11/50/744831150.db2.gz ZUIKDWMBUCYYTD-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992480594 744907331 /nfs/dbraw/zinc/90/73/31/744907331.db2.gz UISPJMABQQWXEN-IIAWOOMASA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992480594 744907334 /nfs/dbraw/zinc/90/73/34/744907334.db2.gz UISPJMABQQWXEN-IIAWOOMASA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992480594 744907336 /nfs/dbraw/zinc/90/73/36/744907336.db2.gz UISPJMABQQWXEN-IIAWOOMASA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992480594 744907339 /nfs/dbraw/zinc/90/73/39/744907339.db2.gz UISPJMABQQWXEN-IIAWOOMASA-N 2 1 311.857 1.804 20 30 DDEDMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000992703492 745127830 /nfs/dbraw/zinc/12/78/30/745127830.db2.gz BDYRPKGQLXJYQR-USXIJHARSA-N 2 1 305.466 1.873 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC#CCOC)C1 ZINC001190482747 745222069 /nfs/dbraw/zinc/22/20/69/745222069.db2.gz JKODELPGQIIBKG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC001190482747 745222073 /nfs/dbraw/zinc/22/20/73/745222073.db2.gz JKODELPGQIIBKG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC#CCOC)C1 ZINC001190482747 745222078 /nfs/dbraw/zinc/22/20/78/745222078.db2.gz JKODELPGQIIBKG-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001190654478 745285443 /nfs/dbraw/zinc/28/54/43/745285443.db2.gz KBXUXHRGMKOSEP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001190654478 745285447 /nfs/dbraw/zinc/28/54/47/745285447.db2.gz KBXUXHRGMKOSEP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001190654478 745285451 /nfs/dbraw/zinc/28/54/51/745285451.db2.gz KBXUXHRGMKOSEP-ROUUACIJSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001191080691 745419435 /nfs/dbraw/zinc/41/94/35/745419435.db2.gz LGLHCKPRKPPRAQ-MRXNPFEDSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923120 745646129 /nfs/dbraw/zinc/64/61/29/745646129.db2.gz QWWDFOCCFKASPQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923120 745646132 /nfs/dbraw/zinc/64/61/32/745646132.db2.gz QWWDFOCCFKASPQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923120 745646134 /nfs/dbraw/zinc/64/61/34/745646134.db2.gz QWWDFOCCFKASPQ-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192435091 745785848 /nfs/dbraw/zinc/78/58/48/745785848.db2.gz JIKRDACEGFRJCB-IAGOWNOFSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192604414 745839765 /nfs/dbraw/zinc/83/97/65/745839765.db2.gz LWCRZQMOVTWDCF-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001192604414 745839770 /nfs/dbraw/zinc/83/97/70/745839770.db2.gz LWCRZQMOVTWDCF-HNNXBMFYSA-N 2 1 302.422 1.563 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCN2CCOCC2)C1 ZINC001192868522 745909244 /nfs/dbraw/zinc/90/92/44/745909244.db2.gz YMDZDPURNYYIRU-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868522 745909247 /nfs/dbraw/zinc/90/92/47/745909247.db2.gz YMDZDPURNYYIRU-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192868522 745909249 /nfs/dbraw/zinc/90/92/49/745909249.db2.gz YMDZDPURNYYIRU-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993535291 746201468 /nfs/dbraw/zinc/20/14/68/746201468.db2.gz IUILWGOIHWEQNN-WMLDXEAASA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993615922 746234533 /nfs/dbraw/zinc/23/45/33/746234533.db2.gz PHUCXMXAFIGXTP-PBHICJAKSA-N 2 1 310.401 1.940 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001194026144 746257601 /nfs/dbraw/zinc/25/76/01/746257601.db2.gz BPGXWFPJEJBIBU-JKSUJKDBSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H](F)CC)C2)CC1 ZINC001194246871 746319468 /nfs/dbraw/zinc/31/94/68/746319468.db2.gz SBGQOUYRVHXZLS-SJORKVTESA-N 2 1 323.456 1.612 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC000994074005 746442690 /nfs/dbraw/zinc/44/26/90/746442690.db2.gz BCNZGDRYZGMLEF-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC000994447558 746660159 /nfs/dbraw/zinc/66/01/59/746660159.db2.gz AIKQTMLPTKKACW-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994491161 746686837 /nfs/dbraw/zinc/68/68/37/746686837.db2.gz XPJKUJPYSKBWTO-MAUKXSAKSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001195785063 746703733 /nfs/dbraw/zinc/70/37/33/746703733.db2.gz AIAOUYYFXHDTIK-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785063 746703735 /nfs/dbraw/zinc/70/37/35/746703735.db2.gz AIAOUYYFXHDTIK-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001195785063 746703738 /nfs/dbraw/zinc/70/37/38/746703738.db2.gz AIAOUYYFXHDTIK-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197187707 747080318 /nfs/dbraw/zinc/08/03/18/747080318.db2.gz KFPQPGXXODUWRW-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)CC1 ZINC001197187707 747080326 /nfs/dbraw/zinc/08/03/26/747080326.db2.gz KFPQPGXXODUWRW-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197791998 747266189 /nfs/dbraw/zinc/26/61/89/747266189.db2.gz ICVPSOXWLMAJNK-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197791998 747266195 /nfs/dbraw/zinc/26/61/95/747266195.db2.gz ICVPSOXWLMAJNK-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197791998 747266200 /nfs/dbraw/zinc/26/62/00/747266200.db2.gz ICVPSOXWLMAJNK-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001003739350 747428582 /nfs/dbraw/zinc/42/85/82/747428582.db2.gz BKENYPSJGPSQJM-QGZVFWFLSA-N 2 1 305.466 1.853 20 30 DDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672946 747574487 /nfs/dbraw/zinc/57/44/87/747574487.db2.gz UWAKPNHUMICGEM-HZPDHXFCSA-N 2 1 322.453 1.323 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001198672946 747574493 /nfs/dbraw/zinc/57/44/93/747574493.db2.gz UWAKPNHUMICGEM-HZPDHXFCSA-N 2 1 322.453 1.323 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031918654 748208320 /nfs/dbraw/zinc/20/83/20/748208320.db2.gz QUOLVJUDOLJANW-QGZVFWFLSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001031918654 748208327 /nfs/dbraw/zinc/20/83/27/748208327.db2.gz QUOLVJUDOLJANW-QGZVFWFLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200548393 748273648 /nfs/dbraw/zinc/27/36/48/748273648.db2.gz UVYSKQINKMEJSF-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001036205851 752259070 /nfs/dbraw/zinc/25/90/70/752259070.db2.gz YPUJKJKZNFCBDB-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004623216 748588875 /nfs/dbraw/zinc/58/88/75/748588875.db2.gz QQVPWXXGTMJYDL-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004623216 748588882 /nfs/dbraw/zinc/58/88/82/748588882.db2.gz QQVPWXXGTMJYDL-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001004623216 748588883 /nfs/dbraw/zinc/58/88/83/748588883.db2.gz QQVPWXXGTMJYDL-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202066770 748674011 /nfs/dbraw/zinc/67/40/11/748674011.db2.gz ALGXMHDJZQBBST-INIZCTEOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033256604 749061953 /nfs/dbraw/zinc/06/19/53/749061953.db2.gz YAKQBISESYWZAI-OAHLLOKOSA-N 2 1 311.389 1.600 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1(C)C ZINC000995895739 749279295 /nfs/dbraw/zinc/27/92/95/749279295.db2.gz MIFXLCPNJFZUHZ-JKSUJKDBSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995919216 749289371 /nfs/dbraw/zinc/28/93/71/749289371.db2.gz OYKGMAYOBCYJRL-ZIAGYGMSSA-N 2 1 302.422 1.773 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1(C)C ZINC000995914749 749296442 /nfs/dbraw/zinc/29/64/42/749296442.db2.gz FUBJRFLEZRGTKM-KGLIPLIRSA-N 2 1 300.406 1.220 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000876838483 749334186 /nfs/dbraw/zinc/33/41/86/749334186.db2.gz KSZHWEDLASILJI-KBPBESRZSA-N 2 1 323.824 1.638 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489944 749434476 /nfs/dbraw/zinc/43/44/76/749434476.db2.gz LEAKEQBUTRNTCE-INIZCTEOSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001154123412 749539420 /nfs/dbraw/zinc/53/94/20/749539420.db2.gz YUODKFDOIMQDCW-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001154123412 749539425 /nfs/dbraw/zinc/53/94/25/749539425.db2.gz YUODKFDOIMQDCW-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001154123412 749539429 /nfs/dbraw/zinc/53/94/29/749539429.db2.gz YUODKFDOIMQDCW-IAGOWNOFSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996685549 749907452 /nfs/dbraw/zinc/90/74/52/749907452.db2.gz QJAKBHCWRRFCQR-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996685549 749907458 /nfs/dbraw/zinc/90/74/58/749907458.db2.gz QJAKBHCWRRFCQR-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCN1CC[C@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033874751 750008293 /nfs/dbraw/zinc/00/82/93/750008293.db2.gz HQNILYOFKSYZEP-GJZGRUSLSA-N 2 1 300.406 1.002 20 30 DDEDMP CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668300 750124802 /nfs/dbraw/zinc/12/48/02/750124802.db2.gz NPQFGGSQLKGEMR-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668300 750124806 /nfs/dbraw/zinc/12/48/06/750124806.db2.gz NPQFGGSQLKGEMR-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001095668300 750124808 /nfs/dbraw/zinc/12/48/08/750124808.db2.gz NPQFGGSQLKGEMR-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001095668300 750124812 /nfs/dbraw/zinc/12/48/12/750124812.db2.gz NPQFGGSQLKGEMR-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C2 ZINC001095668300 750124816 /nfs/dbraw/zinc/12/48/16/750124816.db2.gz NPQFGGSQLKGEMR-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034475529 750464348 /nfs/dbraw/zinc/46/43/48/750464348.db2.gz SDXLKSFPIAFWBB-QGZVFWFLSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001034538150 750539832 /nfs/dbraw/zinc/53/98/32/750539832.db2.gz JMIJZPICDPCQBX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538150 750539837 /nfs/dbraw/zinc/53/98/37/750539837.db2.gz JMIJZPICDPCQBX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001034538150 750539841 /nfs/dbraw/zinc/53/98/41/750539841.db2.gz JMIJZPICDPCQBX-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001114501635 750664662 /nfs/dbraw/zinc/66/46/62/750664662.db2.gz GKLMFIXUKPZBAI-FVQHAEBGSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001114501635 750664669 /nfs/dbraw/zinc/66/46/69/750664669.db2.gz GKLMFIXUKPZBAI-FVQHAEBGSA-N 2 1 317.477 1.709 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114522098 750695394 /nfs/dbraw/zinc/69/53/94/750695394.db2.gz XZVFJACHRIVPGA-FVQHAEBGSA-N 2 1 310.401 1.961 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114973448 750932344 /nfs/dbraw/zinc/93/23/44/750932344.db2.gz WPXBYSIFVXPAMH-QLPKVWCKSA-N 2 1 300.406 1.041 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1C ZINC001114973448 750932348 /nfs/dbraw/zinc/93/23/48/750932348.db2.gz WPXBYSIFVXPAMH-QLPKVWCKSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997871919 751331092 /nfs/dbraw/zinc/33/10/92/751331092.db2.gz RMPPFNFESBAFNU-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001000715607 762124426 /nfs/dbraw/zinc/12/44/26/762124426.db2.gz TWNLOZKTDRACQP-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715607 762124430 /nfs/dbraw/zinc/12/44/30/762124430.db2.gz TWNLOZKTDRACQP-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001000715607 762124434 /nfs/dbraw/zinc/12/44/34/762124434.db2.gz TWNLOZKTDRACQP-SJORKVTESA-N 2 1 319.449 1.174 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032657982 752619864 /nfs/dbraw/zinc/61/98/64/752619864.db2.gz LGXLOJCZYRQSBY-GJZGRUSLSA-N 2 1 302.422 1.868 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001032657982 752619870 /nfs/dbraw/zinc/61/98/70/752619870.db2.gz LGXLOJCZYRQSBY-GJZGRUSLSA-N 2 1 302.422 1.868 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001009629195 753288387 /nfs/dbraw/zinc/28/83/87/753288387.db2.gz ROCHQGFEQAWICC-IAGOWNOFSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001009629195 753288390 /nfs/dbraw/zinc/28/83/90/753288390.db2.gz ROCHQGFEQAWICC-IAGOWNOFSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001009629188 753289091 /nfs/dbraw/zinc/28/90/91/753289091.db2.gz ROCHQGFEQAWICC-DLBZAZTESA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001009629188 753289094 /nfs/dbraw/zinc/28/90/94/753289094.db2.gz ROCHQGFEQAWICC-DLBZAZTESA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001032725383 753364036 /nfs/dbraw/zinc/36/40/36/753364036.db2.gz SEHWRHNZBQKGKQ-ROUUACIJSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967512 753928011 /nfs/dbraw/zinc/92/80/11/753928011.db2.gz FFDHYVBKQLSZHV-JKSUJKDBSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967512 753928015 /nfs/dbraw/zinc/92/80/15/753928015.db2.gz FFDHYVBKQLSZHV-JKSUJKDBSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967512 753928020 /nfs/dbraw/zinc/92/80/20/753928020.db2.gz FFDHYVBKQLSZHV-JKSUJKDBSA-N 2 1 321.465 1.111 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188631 755755965 /nfs/dbraw/zinc/75/59/65/755755965.db2.gz NIAKUXAGWIITBQ-DJIMGWMZSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001080188631 755755968 /nfs/dbraw/zinc/75/59/68/755755968.db2.gz NIAKUXAGWIITBQ-DJIMGWMZSA-N 2 1 303.450 1.321 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014731191 755911430 /nfs/dbraw/zinc/91/14/30/755911430.db2.gz ZXFAGSVWQQRPPN-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001014731191 755911433 /nfs/dbraw/zinc/91/14/33/755911433.db2.gz ZXFAGSVWQQRPPN-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210986 762441122 /nfs/dbraw/zinc/44/11/22/762441122.db2.gz SJGHXEASVJWDPQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210986 762441127 /nfs/dbraw/zinc/44/11/27/762441127.db2.gz SJGHXEASVJWDPQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210986 762441131 /nfs/dbraw/zinc/44/11/31/762441131.db2.gz SJGHXEASVJWDPQ-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040265274 762468577 /nfs/dbraw/zinc/46/85/77/762468577.db2.gz XPXHICIUYKNIQZ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040265274 762468579 /nfs/dbraw/zinc/46/85/79/762468579.db2.gz XPXHICIUYKNIQZ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040265274 762468581 /nfs/dbraw/zinc/46/85/81/762468581.db2.gz XPXHICIUYKNIQZ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799565 756483788 /nfs/dbraw/zinc/48/37/88/756483788.db2.gz VKUATGMYBMYHDH-ARFHVFGLSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799565 756483790 /nfs/dbraw/zinc/48/37/90/756483790.db2.gz VKUATGMYBMYHDH-ARFHVFGLSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799565 756483794 /nfs/dbraw/zinc/48/37/94/756483794.db2.gz VKUATGMYBMYHDH-ARFHVFGLSA-N 2 1 309.454 1.251 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799565 756483797 /nfs/dbraw/zinc/48/37/97/756483797.db2.gz VKUATGMYBMYHDH-ARFHVFGLSA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081856917 756519625 /nfs/dbraw/zinc/51/96/25/756519625.db2.gz QAPOUQRHXFZYJO-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](OC)C1 ZINC001081856917 756519628 /nfs/dbraw/zinc/51/96/28/756519628.db2.gz QAPOUQRHXFZYJO-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](OC)C1 ZINC001081856917 756519630 /nfs/dbraw/zinc/51/96/30/756519630.db2.gz QAPOUQRHXFZYJO-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](OC)C1 ZINC001081856917 756519631 /nfs/dbraw/zinc/51/96/31/756519631.db2.gz QAPOUQRHXFZYJO-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826686 756575203 /nfs/dbraw/zinc/57/52/03/756575203.db2.gz IDXWFLYEEPHRPC-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001082095998 756627415 /nfs/dbraw/zinc/62/74/15/756627415.db2.gz SRDGQNJNZWCWSB-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001082199954 756674180 /nfs/dbraw/zinc/67/41/80/756674180.db2.gz KKEOBRKVJNTCOI-IXDOHACOSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001082521545 756843593 /nfs/dbraw/zinc/84/35/93/756843593.db2.gz MNDAKGINKJCCDP-QLFBSQMISA-N 2 1 302.422 1.466 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC001084476383 757616146 /nfs/dbraw/zinc/61/61/46/757616146.db2.gz WCMYIURRHKGOJO-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476383 757616148 /nfs/dbraw/zinc/61/61/48/757616148.db2.gz WCMYIURRHKGOJO-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC001084476383 757616155 /nfs/dbraw/zinc/61/61/55/757616155.db2.gz WCMYIURRHKGOJO-IXDOHACOSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]21 ZINC001084963415 758102404 /nfs/dbraw/zinc/10/24/04/758102404.db2.gz SXVBUTUESBCGJI-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001084963415 758102410 /nfs/dbraw/zinc/10/24/10/758102410.db2.gz SXVBUTUESBCGJI-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C[C@@H]21 ZINC001084963415 758102422 /nfs/dbraw/zinc/10/24/22/758102422.db2.gz SXVBUTUESBCGJI-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001040708712 762656679 /nfs/dbraw/zinc/65/66/79/762656679.db2.gz ZMDXXXZIMAIKSQ-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001054099421 759164211 /nfs/dbraw/zinc/16/42/11/759164211.db2.gz HWVJWFVBWXSCIH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099421 759164216 /nfs/dbraw/zinc/16/42/16/759164216.db2.gz HWVJWFVBWXSCIH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001054099421 759164221 /nfs/dbraw/zinc/16/42/21/759164221.db2.gz HWVJWFVBWXSCIH-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001054144905 759221525 /nfs/dbraw/zinc/22/15/25/759221525.db2.gz FBXSTIDRKRUEQZ-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001054144905 759221529 /nfs/dbraw/zinc/22/15/29/759221529.db2.gz FBXSTIDRKRUEQZ-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC001054144905 759221538 /nfs/dbraw/zinc/22/15/38/759221538.db2.gz FBXSTIDRKRUEQZ-LJQANCHMSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001054191708 759276792 /nfs/dbraw/zinc/27/67/92/759276792.db2.gz KDGWPACIFBCATG-MJGOQNOKSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054197712 759282807 /nfs/dbraw/zinc/28/28/07/759282807.db2.gz HBBSLAMWSCXPNF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197712 759282813 /nfs/dbraw/zinc/28/28/13/759282813.db2.gz HBBSLAMWSCXPNF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054197712 759282819 /nfs/dbraw/zinc/28/28/19/759282819.db2.gz HBBSLAMWSCXPNF-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197638 759284067 /nfs/dbraw/zinc/28/40/67/759284067.db2.gz GFQSKBPWWFCZSO-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197638 759284073 /nfs/dbraw/zinc/28/40/73/759284073.db2.gz GFQSKBPWWFCZSO-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001054197638 759284079 /nfs/dbraw/zinc/28/40/79/759284079.db2.gz GFQSKBPWWFCZSO-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2C1 ZINC001054291648 759399604 /nfs/dbraw/zinc/39/96/04/759399604.db2.gz AQJPUBUXBHTRPJ-KRWDZBQOSA-N 2 1 311.429 1.593 20 30 DDEDMP C#CCC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291648 759399616 /nfs/dbraw/zinc/39/96/16/759399616.db2.gz AQJPUBUXBHTRPJ-KRWDZBQOSA-N 2 1 311.429 1.593 20 30 DDEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001054291648 759399628 /nfs/dbraw/zinc/39/96/28/759399628.db2.gz AQJPUBUXBHTRPJ-KRWDZBQOSA-N 2 1 311.429 1.593 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001085639804 759912950 /nfs/dbraw/zinc/91/29/50/759912950.db2.gz WIPICPGRDMTPIZ-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639804 759912954 /nfs/dbraw/zinc/91/29/54/759912954.db2.gz WIPICPGRDMTPIZ-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001085639804 759912959 /nfs/dbraw/zinc/91/29/59/759912959.db2.gz WIPICPGRDMTPIZ-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001054913027 760180604 /nfs/dbraw/zinc/18/06/04/760180604.db2.gz ZTVNTWSVTYOQOE-ZBFHGGJFSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008020 760537493 /nfs/dbraw/zinc/53/74/93/760537493.db2.gz BVXSVOAHQMVYCT-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008020 760537499 /nfs/dbraw/zinc/53/74/99/760537499.db2.gz BVXSVOAHQMVYCT-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](O)C1 ZINC001100008020 760537507 /nfs/dbraw/zinc/53/75/07/760537507.db2.gz BVXSVOAHQMVYCT-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC[C@H](C)F)CC1 ZINC001085986673 760657437 /nfs/dbraw/zinc/65/74/37/760657437.db2.gz KLXWEMJGYBCGMT-RDJZCZTQSA-N 2 1 323.456 1.612 20 30 DDEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038717889 761323720 /nfs/dbraw/zinc/32/37/20/761323720.db2.gz QLVCOTZWMAQLEI-KURKYZTESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038717889 761323729 /nfs/dbraw/zinc/32/37/29/761323729.db2.gz QLVCOTZWMAQLEI-KURKYZTESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717889 761323737 /nfs/dbraw/zinc/32/37/37/761323737.db2.gz QLVCOTZWMAQLEI-KURKYZTESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717889 761323746 /nfs/dbraw/zinc/32/37/46/761323746.db2.gz QLVCOTZWMAQLEI-KURKYZTESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038897931 761521754 /nfs/dbraw/zinc/52/17/54/761521754.db2.gz YBJAUKGOFDWYEA-KRWDZBQOSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038901827 761527138 /nfs/dbraw/zinc/52/71/38/761527138.db2.gz AKRLJSOXPISPNZ-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038901827 761527140 /nfs/dbraw/zinc/52/71/40/761527140.db2.gz AKRLJSOXPISPNZ-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038901827 761527142 /nfs/dbraw/zinc/52/71/42/761527142.db2.gz AKRLJSOXPISPNZ-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038901827 761527146 /nfs/dbraw/zinc/52/71/46/761527146.db2.gz AKRLJSOXPISPNZ-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086476228 761680951 /nfs/dbraw/zinc/68/09/51/761680951.db2.gz DDOACDSQXISBOF-KKUMJFAQSA-N 2 1 302.422 1.424 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001039153799 761782204 /nfs/dbraw/zinc/78/22/04/761782204.db2.gz HXRBWAXBPDIBNY-QZTJIDSGSA-N 2 1 319.493 1.766 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001001471511 762893034 /nfs/dbraw/zinc/89/30/34/762893034.db2.gz JNKBUDKIWIYSOQ-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001001521258 762934694 /nfs/dbraw/zinc/93/46/94/762934694.db2.gz ISDHCDHTHPSJHU-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001050120183 763167080 /nfs/dbraw/zinc/16/70/80/763167080.db2.gz VJGVEUWWFYWFMG-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050120183 763167085 /nfs/dbraw/zinc/16/70/85/763167085.db2.gz VJGVEUWWFYWFMG-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001050120183 763167088 /nfs/dbraw/zinc/16/70/88/763167088.db2.gz VJGVEUWWFYWFMG-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC001041670825 763211397 /nfs/dbraw/zinc/21/13/97/763211397.db2.gz JQJPVPOOBWQZNH-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001041670825 763211403 /nfs/dbraw/zinc/21/14/03/763211403.db2.gz JQJPVPOOBWQZNH-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC001041670825 763211410 /nfs/dbraw/zinc/21/14/10/763211410.db2.gz JQJPVPOOBWQZNH-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001050183681 763278761 /nfs/dbraw/zinc/27/87/61/763278761.db2.gz MSHHSSOGEJETDG-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183681 763278767 /nfs/dbraw/zinc/27/87/67/763278767.db2.gz MSHHSSOGEJETDG-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001050183681 763278773 /nfs/dbraw/zinc/27/87/73/763278773.db2.gz MSHHSSOGEJETDG-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001050209110 763326321 /nfs/dbraw/zinc/32/63/21/763326321.db2.gz ZFJZEWSGAYPOHZ-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001041828714 763379883 /nfs/dbraw/zinc/37/98/83/763379883.db2.gz GAXCAUCVLWGMNU-GDBMZVCRSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001041828714 763379894 /nfs/dbraw/zinc/37/98/94/763379894.db2.gz GAXCAUCVLWGMNU-GDBMZVCRSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041828714 763379905 /nfs/dbraw/zinc/37/99/05/763379905.db2.gz GAXCAUCVLWGMNU-GDBMZVCRSA-N 2 1 311.857 1.615 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001041828714 763379909 /nfs/dbraw/zinc/37/99/09/763379909.db2.gz GAXCAUCVLWGMNU-GDBMZVCRSA-N 2 1 311.857 1.615 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001109443245 763713478 /nfs/dbraw/zinc/71/34/78/763713478.db2.gz ZUHLIUDUTRVEGM-UHDSXZAQSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001109443245 763713480 /nfs/dbraw/zinc/71/34/80/763713480.db2.gz ZUHLIUDUTRVEGM-UHDSXZAQSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443245 763713484 /nfs/dbraw/zinc/71/34/84/763713484.db2.gz ZUHLIUDUTRVEGM-UHDSXZAQSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001109443245 763713488 /nfs/dbraw/zinc/71/34/88/763713488.db2.gz ZUHLIUDUTRVEGM-UHDSXZAQSA-N 2 1 321.465 1.393 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001042156641 763721294 /nfs/dbraw/zinc/72/12/94/763721294.db2.gz JTMSMPZTFKTLRZ-YJBOKZPZSA-N 2 1 322.412 1.894 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001042189037 763756699 /nfs/dbraw/zinc/75/66/99/763756699.db2.gz ZPDMYRLVOUKJHF-DLBZAZTESA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216681 763779996 /nfs/dbraw/zinc/77/99/96/763779996.db2.gz QMZKIFXHKVFYQE-WBVHZDCISA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001050662621 763886310 /nfs/dbraw/zinc/88/63/10/763886310.db2.gz ACDDEQNOFVGGQJ-CVEARBPZSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042356968 763958639 /nfs/dbraw/zinc/95/86/39/763958639.db2.gz VKUPQPSCJRWKKI-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001042356968 763958643 /nfs/dbraw/zinc/95/86/43/763958643.db2.gz VKUPQPSCJRWKKI-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131682923 768259142 /nfs/dbraw/zinc/25/91/42/768259142.db2.gz UGOOXMHUYDZUBP-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@H](C)O2 ZINC001131681758 768259442 /nfs/dbraw/zinc/25/94/42/768259442.db2.gz HVEKMVUHCVZYPA-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131697408 768278948 /nfs/dbraw/zinc/27/89/48/768278948.db2.gz KNJWBZAEASYDTA-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697408 768278952 /nfs/dbraw/zinc/27/89/52/768278952.db2.gz KNJWBZAEASYDTA-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131697408 768278954 /nfs/dbraw/zinc/27/89/54/768278954.db2.gz KNJWBZAEASYDTA-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425933 765815198 /nfs/dbraw/zinc/81/51/98/765815198.db2.gz HQIRBZGSXYYJPN-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425933 765815209 /nfs/dbraw/zinc/81/52/09/765815209.db2.gz HQIRBZGSXYYJPN-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC001052425933 765815217 /nfs/dbraw/zinc/81/52/17/765815217.db2.gz HQIRBZGSXYYJPN-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447850 765838580 /nfs/dbraw/zinc/83/85/80/765838580.db2.gz NQZMAQRBTISKAI-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447850 765838588 /nfs/dbraw/zinc/83/85/88/765838588.db2.gz NQZMAQRBTISKAI-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562572 765959625 /nfs/dbraw/zinc/95/96/25/765959625.db2.gz VOKPQGKCPVRGRR-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573207 765967743 /nfs/dbraw/zinc/96/77/43/765967743.db2.gz VTFBBTPLVCMIEP-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573207 765967747 /nfs/dbraw/zinc/96/77/47/765967747.db2.gz VTFBBTPLVCMIEP-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001052573207 765967751 /nfs/dbraw/zinc/96/77/51/765967751.db2.gz VTFBBTPLVCMIEP-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653930 766041534 /nfs/dbraw/zinc/04/15/34/766041534.db2.gz SYPSDTXPPBMBBC-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653930 766041539 /nfs/dbraw/zinc/04/15/39/766041539.db2.gz SYPSDTXPPBMBBC-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653930 766041548 /nfs/dbraw/zinc/04/15/48/766041548.db2.gz SYPSDTXPPBMBBC-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653930 766041552 /nfs/dbraw/zinc/04/15/52/766041552.db2.gz SYPSDTXPPBMBBC-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045585859 766420788 /nfs/dbraw/zinc/42/07/88/766420788.db2.gz XBMYDHKUAAEUOZ-SJORKVTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045943690 766727302 /nfs/dbraw/zinc/72/73/02/766727302.db2.gz MNJWJNLZYFZPKU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001045943690 766727304 /nfs/dbraw/zinc/72/73/04/766727304.db2.gz MNJWJNLZYFZPKU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045943690 766727308 /nfs/dbraw/zinc/72/73/08/766727308.db2.gz MNJWJNLZYFZPKU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001045943690 766727311 /nfs/dbraw/zinc/72/73/11/766727311.db2.gz MNJWJNLZYFZPKU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001045943690 766727314 /nfs/dbraw/zinc/72/73/14/766727314.db2.gz MNJWJNLZYFZPKU-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984726 766760588 /nfs/dbraw/zinc/76/05/88/766760588.db2.gz HOXKQZQOLVLRAT-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001045984726 766760597 /nfs/dbraw/zinc/76/05/97/766760597.db2.gz HOXKQZQOLVLRAT-SFHVURJKSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[C@@H]1C ZINC001132139797 768645339 /nfs/dbraw/zinc/64/53/39/768645339.db2.gz BUXRHIKODQBRAH-HOTGVXAUSA-N 2 1 314.433 1.510 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132358550 768784906 /nfs/dbraw/zinc/78/49/06/768784906.db2.gz FRTVIRSYYIRGTQ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132358550 768784908 /nfs/dbraw/zinc/78/49/08/768784908.db2.gz FRTVIRSYYIRGTQ-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001048539082 769510000 /nfs/dbraw/zinc/51/00/00/769510000.db2.gz HHYDXXUGUPHQHA-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048539082 769510006 /nfs/dbraw/zinc/51/00/06/769510006.db2.gz HHYDXXUGUPHQHA-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001048539082 769510010 /nfs/dbraw/zinc/51/00/10/769510010.db2.gz HHYDXXUGUPHQHA-YVSFHVDLSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[C@H]1C ZINC001071515005 769542927 /nfs/dbraw/zinc/54/29/27/769542927.db2.gz QZJXUDCFUWXUHH-HUUCEWRRSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C2 ZINC001048590304 769566906 /nfs/dbraw/zinc/56/69/06/769566906.db2.gz LNPIPVVJTKZGSX-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590304 769566913 /nfs/dbraw/zinc/56/69/13/769566913.db2.gz LNPIPVVJTKZGSX-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1CC)C2 ZINC001048590304 769566918 /nfs/dbraw/zinc/56/69/18/769566918.db2.gz LNPIPVVJTKZGSX-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C ZINC001071600377 769692190 /nfs/dbraw/zinc/69/21/90/769692190.db2.gz LAJCQZJDHASKPX-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@H]2C1 ZINC001048888097 770053568 /nfs/dbraw/zinc/05/35/68/770053568.db2.gz HYHVDVXILURUKH-VVLHAWIVSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048888097 770053578 /nfs/dbraw/zinc/05/35/78/770053578.db2.gz HYHVDVXILURUKH-VVLHAWIVSA-N 2 1 301.434 1.027 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001049480934 770910213 /nfs/dbraw/zinc/91/02/13/770910213.db2.gz GXVWFAAJYVNGNQ-XWTMOSNGSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480934 770910218 /nfs/dbraw/zinc/91/02/18/770910218.db2.gz GXVWFAAJYVNGNQ-XWTMOSNGSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001049480934 770910222 /nfs/dbraw/zinc/91/02/22/770910222.db2.gz GXVWFAAJYVNGNQ-XWTMOSNGSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049485370 770917883 /nfs/dbraw/zinc/91/78/83/770917883.db2.gz MXXVFHKUYWMQSN-NCOADZHNSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049485370 770917886 /nfs/dbraw/zinc/91/78/86/770917886.db2.gz MXXVFHKUYWMQSN-NCOADZHNSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049485370 770917894 /nfs/dbraw/zinc/91/78/94/770917894.db2.gz MXXVFHKUYWMQSN-NCOADZHNSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049485376 770918533 /nfs/dbraw/zinc/91/85/33/770918533.db2.gz MXXVFHKUYWMQSN-VQHPVUNQSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049485376 770918544 /nfs/dbraw/zinc/91/85/44/770918544.db2.gz MXXVFHKUYWMQSN-VQHPVUNQSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049485376 770918549 /nfs/dbraw/zinc/91/85/49/770918549.db2.gz MXXVFHKUYWMQSN-VQHPVUNQSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001049526507 770978567 /nfs/dbraw/zinc/97/85/67/770978567.db2.gz VFMBNEAIYKYDSC-GVDBMIGSSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001049639356 771042258 /nfs/dbraw/zinc/04/22/58/771042258.db2.gz PJPREWZKKZFMGY-SJORKVTESA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001049673068 771073508 /nfs/dbraw/zinc/07/35/08/771073508.db2.gz PBQWIURTJFENTE-ZACQAIPSSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001049673068 771073513 /nfs/dbraw/zinc/07/35/13/771073513.db2.gz PBQWIURTJFENTE-ZACQAIPSSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049673068 771073519 /nfs/dbraw/zinc/07/35/19/771073519.db2.gz PBQWIURTJFENTE-ZACQAIPSSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001049673068 771073526 /nfs/dbraw/zinc/07/35/26/771073526.db2.gz PBQWIURTJFENTE-ZACQAIPSSA-N 2 1 321.465 1.347 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC[C@H]1C ZINC001049725657 771116188 /nfs/dbraw/zinc/11/61/88/771116188.db2.gz YSMZSEIJMAXYFY-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC[C@H]1C ZINC001049725657 771116189 /nfs/dbraw/zinc/11/61/89/771116189.db2.gz YSMZSEIJMAXYFY-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+]1CCC[C@H]1C ZINC001049725657 771116191 /nfs/dbraw/zinc/11/61/91/771116191.db2.gz YSMZSEIJMAXYFY-BRWVUGGUSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001049736754 771121746 /nfs/dbraw/zinc/12/17/46/771121746.db2.gz MNDPPPRBWCAGOL-FPCVCCKLSA-N 2 1 314.433 1.775 20 30 DDEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001135471539 771527480 /nfs/dbraw/zinc/52/74/80/771527480.db2.gz NWPLACWEVLJYFO-UONOGXRCSA-N 2 1 320.437 1.943 20 30 DDEDMP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001135693117 771657974 /nfs/dbraw/zinc/65/79/74/771657974.db2.gz XMXZVCDVNPIKAN-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1cccc(Cl)c1 ZINC001146718854 772926061 /nfs/dbraw/zinc/92/60/61/772926061.db2.gz IGXTYEIJPQXXFG-UHFFFAOYSA-N 2 1 321.852 1.739 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091716886 773461019 /nfs/dbraw/zinc/46/10/19/773461019.db2.gz XLQBUQKFPITUKN-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716886 773461022 /nfs/dbraw/zinc/46/10/22/773461022.db2.gz XLQBUQKFPITUKN-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716886 773461025 /nfs/dbraw/zinc/46/10/25/773461025.db2.gz XLQBUQKFPITUKN-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001073899279 773509306 /nfs/dbraw/zinc/50/93/06/773509306.db2.gz PLWLUQQXXIBQLG-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899279 773509312 /nfs/dbraw/zinc/50/93/12/773509312.db2.gz PLWLUQQXXIBQLG-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001073899279 773509319 /nfs/dbraw/zinc/50/93/19/773509319.db2.gz PLWLUQQXXIBQLG-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001091758388 773625256 /nfs/dbraw/zinc/62/52/56/773625256.db2.gz CGYVQUQBFBQTRD-RYRKJORJSA-N 2 1 307.482 1.929 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091788065 773807008 /nfs/dbraw/zinc/80/70/08/773807008.db2.gz SCGHALMQOSZPCO-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091788065 773807009 /nfs/dbraw/zinc/80/70/09/773807009.db2.gz SCGHALMQOSZPCO-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@]2(C)C1 ZINC001091788065 773807013 /nfs/dbraw/zinc/80/70/13/773807013.db2.gz SCGHALMQOSZPCO-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001092721016 774228294 /nfs/dbraw/zinc/22/82/94/774228294.db2.gz DHKHZSADLFGDHZ-HZPDHXFCSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC)C[C@H]1C ZINC001092689953 774232954 /nfs/dbraw/zinc/23/29/54/774232954.db2.gz ULSUXTUNSAFENN-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001092689953 774232958 /nfs/dbraw/zinc/23/29/58/774232958.db2.gz ULSUXTUNSAFENN-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC)C[C@H]1C ZINC001092689953 774232963 /nfs/dbraw/zinc/23/29/63/774232963.db2.gz ULSUXTUNSAFENN-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC)C[C@H]1C ZINC001092689953 774232966 /nfs/dbraw/zinc/23/29/66/774232966.db2.gz ULSUXTUNSAFENN-ZACQAIPSSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001093391197 774650167 /nfs/dbraw/zinc/65/01/67/774650167.db2.gz OMCQPITXJKPIRS-UPTPFMHGSA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036819951 774747197 /nfs/dbraw/zinc/74/71/97/774747197.db2.gz AGGMIIUABRHCEY-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC[C@H]21 ZINC001036819951 774747199 /nfs/dbraw/zinc/74/71/99/774747199.db2.gz AGGMIIUABRHCEY-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001099122021 774850105 /nfs/dbraw/zinc/85/01/05/774850105.db2.gz MNOJPEPUGSJECP-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099122021 774850111 /nfs/dbraw/zinc/85/01/11/774850111.db2.gz MNOJPEPUGSJECP-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001099122021 774850120 /nfs/dbraw/zinc/85/01/20/774850120.db2.gz MNOJPEPUGSJECP-RYRKJORJSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899695 775399520 /nfs/dbraw/zinc/39/95/20/775399520.db2.gz WYRPABZUPKMDFJ-HUUCEWRRSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899695 775399529 /nfs/dbraw/zinc/39/95/29/775399529.db2.gz WYRPABZUPKMDFJ-HUUCEWRRSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899695 775399538 /nfs/dbraw/zinc/39/95/38/775399538.db2.gz WYRPABZUPKMDFJ-HUUCEWRRSA-N 2 1 311.470 1.234 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001036904236 776082341 /nfs/dbraw/zinc/08/23/41/776082341.db2.gz ONGNYJZTNQHLEF-QZTJIDSGSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001100677488 776430223 /nfs/dbraw/zinc/43/02/23/776430223.db2.gz PQHDFCDQXWNAHI-PCKAHOCUSA-N 2 1 316.449 1.814 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188768 777879154 /nfs/dbraw/zinc/87/91/54/777879154.db2.gz PNTUIOSQRPFTHX-SQNIBIBYSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601620 778233105 /nfs/dbraw/zinc/23/31/05/778233105.db2.gz KMGVLHUDSYVDSP-ZACQAIPSSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177157105 778465568 /nfs/dbraw/zinc/46/55/68/778465568.db2.gz QMRIJTNGVUPSRB-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177157105 778465570 /nfs/dbraw/zinc/46/55/70/778465570.db2.gz QMRIJTNGVUPSRB-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157105 778465573 /nfs/dbraw/zinc/46/55/73/778465573.db2.gz QMRIJTNGVUPSRB-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177157105 778465574 /nfs/dbraw/zinc/46/55/74/778465574.db2.gz QMRIJTNGVUPSRB-SJORKVTESA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102976946 778520040 /nfs/dbraw/zinc/52/00/40/778520040.db2.gz FFYYLXXWMXHUIU-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102976946 778520046 /nfs/dbraw/zinc/52/00/46/778520046.db2.gz FFYYLXXWMXHUIU-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102976946 778520051 /nfs/dbraw/zinc/52/00/51/778520051.db2.gz FFYYLXXWMXHUIU-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102993953 778539983 /nfs/dbraw/zinc/53/99/83/778539983.db2.gz MEVUUHSBZZRCQE-OIISXLGYSA-N 2 1 305.466 1.588 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104213653 779376132 /nfs/dbraw/zinc/37/61/32/779376132.db2.gz JODXHBHKNNTFKA-WCXIOVBPSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539123 779412664 /nfs/dbraw/zinc/41/26/64/779412664.db2.gz PDQAIRUQKRWXNT-MPGHIAIKSA-N 2 1 323.456 1.801 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267266757 837703211 /nfs/dbraw/zinc/70/32/11/837703211.db2.gz IHRRMRRIXIIKQS-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267266757 837703215 /nfs/dbraw/zinc/70/32/15/837703215.db2.gz IHRRMRRIXIIKQS-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP CCC[N@H+](CC#CCOC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001266579778 836492105 /nfs/dbraw/zinc/49/21/05/836492105.db2.gz YICSFEZJGHHJIZ-CALCHBBNSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001266579778 836492112 /nfs/dbraw/zinc/49/21/12/836492112.db2.gz YICSFEZJGHHJIZ-CALCHBBNSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](CC#CCOC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001266579778 836492115 /nfs/dbraw/zinc/49/21/15/836492115.db2.gz YICSFEZJGHHJIZ-CALCHBBNSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266638583 836576127 /nfs/dbraw/zinc/57/61/27/836576127.db2.gz ZHKHEQQIFUJUGB-KLHDSHLOSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266638583 836576136 /nfs/dbraw/zinc/57/61/36/836576136.db2.gz ZHKHEQQIFUJUGB-KLHDSHLOSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267013132 837190120 /nfs/dbraw/zinc/19/01/20/837190120.db2.gz VLEWYHWQVQBDGK-KGLIPLIRSA-N 2 1 320.437 1.895 20 30 DDEDMP C=C(C)C[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001267375760 837940973 /nfs/dbraw/zinc/94/09/73/837940973.db2.gz UOQSUPQVILAXRY-OAHLLOKOSA-N 2 1 305.426 1.414 20 30 DDEDMP C=C(C)C[NH2+]CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001267375760 837940979 /nfs/dbraw/zinc/94/09/79/837940979.db2.gz UOQSUPQVILAXRY-OAHLLOKOSA-N 2 1 305.426 1.414 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267565089 838316102 /nfs/dbraw/zinc/31/61/02/838316102.db2.gz YCXGMROJBNGSEO-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267565089 838316110 /nfs/dbraw/zinc/31/61/10/838316110.db2.gz YCXGMROJBNGSEO-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001268916948 841001523 /nfs/dbraw/zinc/00/15/23/841001523.db2.gz IPIDYVXMHJAVCE-QGZVFWFLSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)C1CC1 ZINC001269115969 841223193 /nfs/dbraw/zinc/22/31/93/841223193.db2.gz OMRSLYQGOLWSBT-WBVHZDCISA-N 2 1 316.449 1.814 20 30 DDEDMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001269901492 842140138 /nfs/dbraw/zinc/14/01/38/842140138.db2.gz DSVDUVNZARRGHY-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001270136019 842323595 /nfs/dbraw/zinc/32/35/95/842323595.db2.gz AKGKQQYXCQLSIV-WMLDXEAASA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CCCC1 ZINC001270442856 842579983 /nfs/dbraw/zinc/57/99/83/842579983.db2.gz OGRYIPREQHELKL-INIZCTEOSA-N 2 1 316.449 1.904 20 30 DDEDMP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271007262 843128318 /nfs/dbraw/zinc/12/83/18/843128318.db2.gz LMWLHMKCXGFLDU-SJLPKXTDSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001326567511 861452317 /nfs/dbraw/zinc/45/23/17/861452317.db2.gz UYUQSYJRIFFRSB-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001326567511 861452327 /nfs/dbraw/zinc/45/23/27/861452327.db2.gz UYUQSYJRIFFRSB-BZUAXINKSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154903821 861553765 /nfs/dbraw/zinc/55/37/65/861553765.db2.gz GERQFBMZPIWERY-UKRRQHHQSA-N 2 1 302.422 1.214 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001154903821 861553773 /nfs/dbraw/zinc/55/37/73/861553773.db2.gz GERQFBMZPIWERY-UKRRQHHQSA-N 2 1 302.422 1.214 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1=O ZINC001272717100 846707424 /nfs/dbraw/zinc/70/74/24/846707424.db2.gz PDSSSAJMVRWISK-GOSISDBHSA-N 2 1 303.450 1.420 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001015976625 847342560 /nfs/dbraw/zinc/34/25/60/847342560.db2.gz OHKWZWQWSZFOGD-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001015976625 847342573 /nfs/dbraw/zinc/34/25/73/847342573.db2.gz OHKWZWQWSZFOGD-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015976625 847342579 /nfs/dbraw/zinc/34/25/79/847342579.db2.gz OHKWZWQWSZFOGD-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001015976625 847342584 /nfs/dbraw/zinc/34/25/84/847342584.db2.gz OHKWZWQWSZFOGD-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001272871401 847570085 /nfs/dbraw/zinc/57/00/85/847570085.db2.gz WCUJYNIADWPGTI-GOSISDBHSA-N 2 1 320.481 1.945 20 30 DDEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001272871401 847570096 /nfs/dbraw/zinc/57/00/96/847570096.db2.gz WCUJYNIADWPGTI-GOSISDBHSA-N 2 1 320.481 1.945 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC001327036480 861819514 /nfs/dbraw/zinc/81/95/14/861819514.db2.gz UIBVJRXOKPFJKP-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCN1C[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273100675 847908399 /nfs/dbraw/zinc/90/83/99/847908399.db2.gz BFWPBRZAQRTPBV-SFHVURJKSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034248456 848154980 /nfs/dbraw/zinc/15/49/80/848154980.db2.gz CRTYPGPITIJTDH-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001034248456 848154988 /nfs/dbraw/zinc/15/49/88/848154988.db2.gz CRTYPGPITIJTDH-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001149860584 861949905 /nfs/dbraw/zinc/94/99/05/861949905.db2.gz IDOMJJBPXYMWFR-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860584 861949913 /nfs/dbraw/zinc/94/99/13/861949913.db2.gz IDOMJJBPXYMWFR-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001149860584 861949921 /nfs/dbraw/zinc/94/99/21/861949921.db2.gz IDOMJJBPXYMWFR-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CO2 ZINC001273723569 851274664 /nfs/dbraw/zinc/27/46/64/851274664.db2.gz MHJGHZSBWTXXMP-CABCVRRESA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150589517 862333678 /nfs/dbraw/zinc/33/36/78/862333678.db2.gz UTBLZSRYFRXZJL-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150589517 862333699 /nfs/dbraw/zinc/33/36/99/862333699.db2.gz UTBLZSRYFRXZJL-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150589517 862333720 /nfs/dbraw/zinc/33/37/20/862333720.db2.gz UTBLZSRYFRXZJL-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001155908410 862550525 /nfs/dbraw/zinc/55/05/25/862550525.db2.gz HIRKTNFJPYTNGP-UHFFFAOYSA-N 2 1 303.406 1.878 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(CN(C)C)on1 ZINC001049564407 856981366 /nfs/dbraw/zinc/98/13/66/856981366.db2.gz METZLYFOQLEUKS-JKSUJKDBSA-N 2 1 316.405 1.048 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001072858911 857811301 /nfs/dbraw/zinc/81/13/01/857811301.db2.gz NIBPDXIWMIZPRL-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001072858911 857811306 /nfs/dbraw/zinc/81/13/06/857811306.db2.gz NIBPDXIWMIZPRL-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001072858911 857811313 /nfs/dbraw/zinc/81/13/13/857811313.db2.gz NIBPDXIWMIZPRL-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001072858911 857811319 /nfs/dbraw/zinc/81/13/19/857811319.db2.gz NIBPDXIWMIZPRL-CQSZACIVSA-N 2 1 311.857 1.758 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001072884252 857841120 /nfs/dbraw/zinc/84/11/20/857841120.db2.gz ORASZCWWUCSVAN-UHFFFAOYSA-N 2 1 318.421 1.460 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)c3cc(C[NH+](C)C)on3)C2)C1 ZINC001072884252 857841124 /nfs/dbraw/zinc/84/11/24/857841124.db2.gz ORASZCWWUCSVAN-UHFFFAOYSA-N 2 1 318.421 1.460 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035548 858028571 /nfs/dbraw/zinc/02/85/71/858028571.db2.gz JZXYIBPFQKPNKP-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546367 881441666 /nfs/dbraw/zinc/44/16/66/881441666.db2.gz LWVWLZWXMHSJQP-NVXWUHKLSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001224846023 881556338 /nfs/dbraw/zinc/55/63/38/881556338.db2.gz DRJFQHUCPWGNSN-UHFFFAOYSA-N 2 1 323.481 1.503 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001325920254 860957900 /nfs/dbraw/zinc/95/79/00/860957900.db2.gz YLFLZOGWCIPRNX-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001325920254 860957907 /nfs/dbraw/zinc/95/79/07/860957907.db2.gz YLFLZOGWCIPRNX-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325920254 860957914 /nfs/dbraw/zinc/95/79/14/860957914.db2.gz YLFLZOGWCIPRNX-IAGOWNOFSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC[NH+](C)C ZINC001154480623 861136892 /nfs/dbraw/zinc/13/68/92/861136892.db2.gz ARYZOUXZQXRUMT-MRXNPFEDSA-N 2 1 315.461 1.864 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001329202907 863534668 /nfs/dbraw/zinc/53/46/68/863534668.db2.gz OVUCOGJAPGGHFE-HOTGVXAUSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329202907 863534679 /nfs/dbraw/zinc/53/46/79/863534679.db2.gz OVUCOGJAPGGHFE-HOTGVXAUSA-N 2 1 301.434 1.625 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001330475658 864385946 /nfs/dbraw/zinc/38/59/46/864385946.db2.gz PCZVRSDCNVJIAR-RCCFBDPRSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001159627880 865440133 /nfs/dbraw/zinc/44/01/33/865440133.db2.gz BHSCQJIQYBGNAH-HNNXBMFYSA-N 2 1 311.857 1.972 20 30 DDEDMP C=C(Cl)C[NH+]1CC=C(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001159627880 865440139 /nfs/dbraw/zinc/44/01/39/865440139.db2.gz BHSCQJIQYBGNAH-HNNXBMFYSA-N 2 1 311.857 1.972 20 30 DDEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159627880 865440148 /nfs/dbraw/zinc/44/01/48/865440148.db2.gz BHSCQJIQYBGNAH-HNNXBMFYSA-N 2 1 311.857 1.972 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001159627880 865440155 /nfs/dbraw/zinc/44/01/55/865440155.db2.gz BHSCQJIQYBGNAH-HNNXBMFYSA-N 2 1 311.857 1.972 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001160406055 865818273 /nfs/dbraw/zinc/81/82/73/865818273.db2.gz IORUYNQHHIBQOH-KRWDZBQOSA-N 2 1 305.466 1.734 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160870553 866159013 /nfs/dbraw/zinc/15/90/13/866159013.db2.gz YZRZLLMVYQNJFE-HOTGVXAUSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160870554 866159893 /nfs/dbraw/zinc/15/98/93/866159893.db2.gz YZRZLLMVYQNJFE-HZPDHXFCSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001319851576 866343834 /nfs/dbraw/zinc/34/38/34/866343834.db2.gz WTJMGZJZTLIOHT-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001319887900 866366119 /nfs/dbraw/zinc/36/61/19/866366119.db2.gz KCCVHNWURYWZPA-KRWDZBQOSA-N 2 1 307.482 1.766 20 30 DDEDMP COCC#CC[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001161518449 866731283 /nfs/dbraw/zinc/73/12/83/866731283.db2.gz CICBXEXTHLDKFX-UHFFFAOYSA-N 2 1 323.481 1.385 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869957 867052854 /nfs/dbraw/zinc/05/28/54/867052854.db2.gz SGKZZPAKVKEIHD-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001161869957 867052870 /nfs/dbraw/zinc/05/28/70/867052870.db2.gz SGKZZPAKVKEIHD-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C#CCN(C(=O)Cn1cc[nH+]c1C)C1CC[NH+](CC(=C)C)CC1 ZINC001324440261 867280280 /nfs/dbraw/zinc/28/02/80/867280280.db2.gz TXEIOYOQEQKWBF-UHFFFAOYSA-N 2 1 314.433 1.694 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001164456778 869204235 /nfs/dbraw/zinc/20/42/35/869204235.db2.gz ZNRLDHNPJCFVGU-MRXNPFEDSA-N 2 1 311.470 1.407 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531507 869264266 /nfs/dbraw/zinc/26/42/66/869264266.db2.gz LGNDOJVTOYPGOW-HOTGVXAUSA-N 2 1 305.466 1.923 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001164596954 869315441 /nfs/dbraw/zinc/31/54/41/869315441.db2.gz UKOOXBQHAMLDPQ-CVEARBPZSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165727888 869691996 /nfs/dbraw/zinc/69/19/96/869691996.db2.gz JXFKAFLISKFNJZ-HZPDHXFCSA-N 2 1 303.450 1.513 20 30 DDEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001317006283 870111476 /nfs/dbraw/zinc/11/14/76/870111476.db2.gz RCXMKCGNSADMTM-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CCC)C1 ZINC001317100449 870246617 /nfs/dbraw/zinc/24/66/17/870246617.db2.gz QRSNONKYURVTEH-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317100449 870246627 /nfs/dbraw/zinc/24/66/27/870246627.db2.gz QRSNONKYURVTEH-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CCC)C1 ZINC001317100449 870246641 /nfs/dbraw/zinc/24/66/41/870246641.db2.gz QRSNONKYURVTEH-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001317270322 870560123 /nfs/dbraw/zinc/56/01/23/870560123.db2.gz VNUWMZMBPINAFF-ZFWWWQNUSA-N 2 1 320.437 1.051 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001317426935 870811331 /nfs/dbraw/zinc/81/13/31/870811331.db2.gz KQLVKXILRIERKE-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317426935 870811337 /nfs/dbraw/zinc/81/13/37/870811337.db2.gz KQLVKXILRIERKE-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317426935 870811345 /nfs/dbraw/zinc/81/13/45/870811345.db2.gz KQLVKXILRIERKE-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001340029684 870848129 /nfs/dbraw/zinc/84/81/29/870848129.db2.gz NJVQVINRGUWPSC-USXIJHARSA-N 2 1 320.481 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317512753 870961084 /nfs/dbraw/zinc/96/10/84/870961084.db2.gz CWQUKTRZYIZFKL-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317512753 870961092 /nfs/dbraw/zinc/96/10/92/870961092.db2.gz CWQUKTRZYIZFKL-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001317648275 871307066 /nfs/dbraw/zinc/30/70/66/871307066.db2.gz RDKGWNVHUUTFAZ-KRWDZBQOSA-N 2 1 301.434 1.751 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)CCC=C)C1 ZINC001318128057 871767720 /nfs/dbraw/zinc/76/77/20/871767720.db2.gz GKHQZBANLNBWIK-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@H](C)CCC=C)C1 ZINC001318128057 871767733 /nfs/dbraw/zinc/76/77/33/871767733.db2.gz GKHQZBANLNBWIK-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001318171142 871793856 /nfs/dbraw/zinc/79/38/56/871793856.db2.gz LXKVWNBCVBUZAS-QAPCUYQASA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001316757275 871997533 /nfs/dbraw/zinc/99/75/33/871997533.db2.gz RLEMQQRBPATVTR-SJORKVTESA-N 2 1 319.493 1.768 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001316757275 871997552 /nfs/dbraw/zinc/99/75/52/871997552.db2.gz RLEMQQRBPATVTR-SJORKVTESA-N 2 1 319.493 1.768 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001316757275 871997567 /nfs/dbraw/zinc/99/75/67/871997567.db2.gz RLEMQQRBPATVTR-SJORKVTESA-N 2 1 319.493 1.768 20 30 DDEDMP CC#CC[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001316842992 872150664 /nfs/dbraw/zinc/15/06/64/872150664.db2.gz MZTZIXTWGMAZRH-UHFFFAOYSA-N 2 1 307.482 1.960 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001318760213 872250815 /nfs/dbraw/zinc/25/08/15/872250815.db2.gz RUEPEKKJWKIENB-QAPCUYQASA-N 2 1 316.449 1.870 20 30 DDEDMP C#CC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001319020455 872400993 /nfs/dbraw/zinc/40/09/93/872400993.db2.gz BTPFBYPLOPJCMT-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001319310626 872561479 /nfs/dbraw/zinc/56/14/79/872561479.db2.gz QUOYCRDHOROPMP-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001319310626 872561487 /nfs/dbraw/zinc/56/14/87/872561487.db2.gz QUOYCRDHOROPMP-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001319310626 872561496 /nfs/dbraw/zinc/56/14/96/872561496.db2.gz QUOYCRDHOROPMP-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001319535173 872677212 /nfs/dbraw/zinc/67/72/12/872677212.db2.gz VYMVKXRCPLBDOM-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319572678 872697055 /nfs/dbraw/zinc/69/70/55/872697055.db2.gz CHVZJPGMMKYVRF-FUHWJXTLSA-N 2 1 313.445 1.426 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206952177 872835077 /nfs/dbraw/zinc/83/50/77/872835077.db2.gz CABQXBDSYRAWAF-UHFFFAOYSA-N 2 1 301.862 1.907 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001226889745 882705155 /nfs/dbraw/zinc/70/51/55/882705155.db2.gz BLUTXDWJSWDSQI-BRWVUGGUSA-N 2 1 305.466 1.901 20 30 DDEDMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)cc1 ZINC001378306757 874659532 /nfs/dbraw/zinc/65/95/32/874659532.db2.gz VVEBMUJWAWUXER-IAGOWNOFSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001276622762 874714813 /nfs/dbraw/zinc/71/48/13/874714813.db2.gz BNEPQDFZXZCMCY-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001276622762 874714820 /nfs/dbraw/zinc/71/48/20/874714820.db2.gz BNEPQDFZXZCMCY-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001210144878 875244822 /nfs/dbraw/zinc/24/48/22/875244822.db2.gz AROSWQJCKLFHSB-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001276680809 875291951 /nfs/dbraw/zinc/29/19/51/875291951.db2.gz KEXAYHFOPNQCQC-QGZVFWFLSA-N 2 1 323.400 1.389 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001210634211 875466895 /nfs/dbraw/zinc/46/68/95/875466895.db2.gz LSANDXCXPUHIHX-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](OC)C1 ZINC001213593060 875989847 /nfs/dbraw/zinc/98/98/47/875989847.db2.gz NATVJQJCKINKIV-ZACQAIPSSA-N 2 1 323.481 1.192 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001215778441 876804112 /nfs/dbraw/zinc/80/41/12/876804112.db2.gz LGHAGWSICBNPGK-ZACQAIPSSA-N 2 1 305.466 1.709 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001379468191 877149781 /nfs/dbraw/zinc/14/97/81/877149781.db2.gz KNEWBBZZUBUEII-LLVKDONJSA-N 2 1 317.418 1.419 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)Nc1sc(N)c2c1C[N@H+](CCC)CC2 ZINC001218752445 877707694 /nfs/dbraw/zinc/70/76/94/877707694.db2.gz BISKBKZSCWUBJM-HNNXBMFYSA-N 2 1 306.435 1.388 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)Nc1sc(N)c2c1C[N@@H+](CCC)CC2 ZINC001218752445 877707703 /nfs/dbraw/zinc/70/77/03/877707703.db2.gz BISKBKZSCWUBJM-HNNXBMFYSA-N 2 1 306.435 1.388 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001380686410 880189948 /nfs/dbraw/zinc/18/99/48/880189948.db2.gz GXBXVAULRDPQOS-GXTWGEPZSA-N 2 1 301.862 1.763 20 30 DDEDMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001277913949 888298471 /nfs/dbraw/zinc/29/84/71/888298471.db2.gz KFTBVYMAKQMJAM-ZFWWWQNUSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001246306259 892528864 /nfs/dbraw/zinc/52/88/64/892528864.db2.gz UTAQDVUZMCMQEW-MCIONIFRSA-N 2 1 313.398 1.248 20 30 DDEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246314657 892536325 /nfs/dbraw/zinc/53/63/25/892536325.db2.gz YHRCKAYFHYNBPB-RYRKJORJSA-N 3 1 323.481 1.725 20 30 DDEDMP C=C[C@](C)(O)C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252551153 895266481 /nfs/dbraw/zinc/26/64/81/895266481.db2.gz QVEALYAWDOQEKU-KSZLIROESA-N 2 1 308.466 1.746 20 30 DDEDMP C=C[C@](C)(O)C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252551153 895266496 /nfs/dbraw/zinc/26/64/96/895266496.db2.gz QVEALYAWDOQEKU-KSZLIROESA-N 2 1 308.466 1.746 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252551153 895266509 /nfs/dbraw/zinc/26/65/09/895266509.db2.gz QVEALYAWDOQEKU-KSZLIROESA-N 2 1 308.466 1.746 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252551153 895266519 /nfs/dbraw/zinc/26/65/19/895266519.db2.gz QVEALYAWDOQEKU-KSZLIROESA-N 2 1 308.466 1.746 20 30 DDEDMP C=CC[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001252928622 895554793 /nfs/dbraw/zinc/55/47/93/895554793.db2.gz PSWZHTMBLGVHIQ-IBGZPJMESA-N 2 1 315.461 1.427 20 30 DDEDMP C=CC[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001252928622 895554800 /nfs/dbraw/zinc/55/48/00/895554800.db2.gz PSWZHTMBLGVHIQ-IBGZPJMESA-N 2 1 315.461 1.427 20 30 DDEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001278693663 895616218 /nfs/dbraw/zinc/61/62/18/895616218.db2.gz PIBVSYJLUXDHAX-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001278693663 895616220 /nfs/dbraw/zinc/61/62/20/895616220.db2.gz PIBVSYJLUXDHAX-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001278693663 895616222 /nfs/dbraw/zinc/61/62/22/895616222.db2.gz PIBVSYJLUXDHAX-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001278693663 895616227 /nfs/dbraw/zinc/61/62/27/895616227.db2.gz PIBVSYJLUXDHAX-WBVHZDCISA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001278815228 896608734 /nfs/dbraw/zinc/60/87/34/896608734.db2.gz AJJFFKMRVWIGKN-GOSISDBHSA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001264520766 901166623 /nfs/dbraw/zinc/16/66/23/901166623.db2.gz PGLNENLQOVAMFA-IRXDYDNUSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265323690 901886413 /nfs/dbraw/zinc/88/64/13/901886413.db2.gz MAOYXOFVJMHMRD-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265323689 901887361 /nfs/dbraw/zinc/88/73/61/901887361.db2.gz MAOYXOFVJMHMRD-HZPDHXFCSA-N 2 1 321.465 1.254 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCn3ccnc3)C2)cc1 ZINC001391562125 902008894 /nfs/dbraw/zinc/00/88/94/902008894.db2.gz LSUJPAAKPJVFPF-KRWDZBQOSA-N 2 1 323.400 1.536 20 30 DDEDMP COCC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001265675328 902288697 /nfs/dbraw/zinc/28/86/97/902288697.db2.gz GETLEUCFRLGOEN-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001266015795 902760941 /nfs/dbraw/zinc/76/09/41/902760941.db2.gz LJDCFVWFIWYCKP-RHSMWYFYSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266114415 902967379 /nfs/dbraw/zinc/96/73/79/902967379.db2.gz ZUJFLASSCCSRMM-KRWDZBQOSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001266114415 902967389 /nfs/dbraw/zinc/96/73/89/902967389.db2.gz ZUJFLASSCCSRMM-KRWDZBQOSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001266159692 903042241 /nfs/dbraw/zinc/04/22/41/903042241.db2.gz ZLBDYZSNRPCSLT-GOSISDBHSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001266159692 903042256 /nfs/dbraw/zinc/04/22/56/903042256.db2.gz ZLBDYZSNRPCSLT-GOSISDBHSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C1CC1 ZINC001266159692 903042269 /nfs/dbraw/zinc/04/22/69/903042269.db2.gz ZLBDYZSNRPCSLT-GOSISDBHSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001266176098 903063588 /nfs/dbraw/zinc/06/35/88/903063588.db2.gz AGNWSGXBZFJIQY-GOSISDBHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001266176098 903063602 /nfs/dbraw/zinc/06/36/02/903063602.db2.gz AGNWSGXBZFJIQY-GOSISDBHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001280072970 903504945 /nfs/dbraw/zinc/50/49/45/903504945.db2.gz KNRVRIHKKAUTRG-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001280408682 903644492 /nfs/dbraw/zinc/64/44/92/903644492.db2.gz HBMZXJFJPVYZFP-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001280408682 903644496 /nfs/dbraw/zinc/64/44/96/903644496.db2.gz HBMZXJFJPVYZFP-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001280408682 903644500 /nfs/dbraw/zinc/64/45/00/903644500.db2.gz HBMZXJFJPVYZFP-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001280408682 903644503 /nfs/dbraw/zinc/64/45/03/903644503.db2.gz HBMZXJFJPVYZFP-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)CCC[C@H]12 ZINC001284056726 908407218 /nfs/dbraw/zinc/40/72/18/908407218.db2.gz INBFYNQLODXMHK-SOLBZPMBSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001284291371 908781160 /nfs/dbraw/zinc/78/11/60/908781160.db2.gz CUWIMUYGCGVGIW-INIZCTEOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001375898131 917222241 /nfs/dbraw/zinc/22/22/41/917222241.db2.gz RXXLGXJZGRPTDL-GOEBONIOSA-N 2 1 313.873 1.909 20 30 DDEDMP C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[NH+](CC(C)C)CC1 ZINC000075074558 353346025 /nfs/dbraw/zinc/34/60/25/353346025.db2.gz NIHANFJYRKICSH-QGZVFWFLSA-N 2 1 322.453 1.336 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000083052648 353705612 /nfs/dbraw/zinc/70/56/12/353705612.db2.gz LNEISDCHNPWWRD-HUUCEWRRSA-N 2 1 306.454 1.836 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000322916967 354539487 /nfs/dbraw/zinc/53/94/87/354539487.db2.gz KYMPUIVFGZMCTL-YESZJQIVSA-N 2 1 315.417 1.514 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C#N)C3)CC2)CC1 ZINC000594364903 356184636 /nfs/dbraw/zinc/18/46/36/356184636.db2.gz NVAQSGQMDNDTGM-UHFFFAOYSA-N 2 1 304.438 1.165 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000595906732 356701145 /nfs/dbraw/zinc/70/11/45/356701145.db2.gz MMCSDGZDEVXARP-GOSISDBHSA-N 2 1 317.433 1.980 20 30 DDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000595906732 356701147 /nfs/dbraw/zinc/70/11/47/356701147.db2.gz MMCSDGZDEVXARP-GOSISDBHSA-N 2 1 317.433 1.980 20 30 DDEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598588880 357643255 /nfs/dbraw/zinc/64/32/55/357643255.db2.gz PEMPSJSQVQDASC-SJORKVTESA-N 2 1 322.497 1.389 20 30 DDEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598588880 357643259 /nfs/dbraw/zinc/64/32/59/357643259.db2.gz PEMPSJSQVQDASC-SJORKVTESA-N 2 1 322.497 1.389 20 30 DDEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432156 357933513 /nfs/dbraw/zinc/93/35/13/357933513.db2.gz KCHUNJJDYAPFHK-AEFFLSMTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432156 357933518 /nfs/dbraw/zinc/93/35/18/357933518.db2.gz KCHUNJJDYAPFHK-AEFFLSMTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C2 ZINC000599432156 357933521 /nfs/dbraw/zinc/93/35/21/357933521.db2.gz KCHUNJJDYAPFHK-AEFFLSMTSA-N 2 1 321.465 1.475 20 30 DDEDMP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000602525000 359026118 /nfs/dbraw/zinc/02/61/18/359026118.db2.gz PQLKYPGQPUFTCH-NVXWUHKLSA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000602525000 359026123 /nfs/dbraw/zinc/02/61/23/359026123.db2.gz PQLKYPGQPUFTCH-NVXWUHKLSA-N 2 1 314.433 1.740 20 30 DDEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000602551498 359041238 /nfs/dbraw/zinc/04/12/38/359041238.db2.gz OROYMFXNPHGYIC-IRXDYDNUSA-N 2 1 323.481 1.912 20 30 DDEDMP CCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000104156820 407348630 /nfs/dbraw/zinc/34/86/30/407348630.db2.gz IEUNANXFHHDREF-UHFFFAOYSA-N 2 1 304.438 1.723 20 30 DDEDMP C=CCC[C@@H](O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000128552965 407548792 /nfs/dbraw/zinc/54/87/92/407548792.db2.gz UJYKKFFGHNMNRY-QGZVFWFLSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000177872945 408731715 /nfs/dbraw/zinc/73/17/15/408731715.db2.gz PELNVIVFCDOLGZ-HNNXBMFYSA-N 2 1 308.470 1.620 20 30 DDEDMP C#CCOc1ccccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282441273 409055105 /nfs/dbraw/zinc/05/51/05/409055105.db2.gz RXOHTWOALLHHFZ-UHFFFAOYSA-N 2 1 315.461 1.814 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000328274507 409929204 /nfs/dbraw/zinc/92/92/04/409929204.db2.gz OEVYLUQMWGSRQI-QGZVFWFLSA-N 2 1 304.434 1.588 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000328274507 409929207 /nfs/dbraw/zinc/92/92/07/409929207.db2.gz OEVYLUQMWGSRQI-QGZVFWFLSA-N 2 1 304.434 1.588 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)CC1(O)CCCC1)CC1(O)CCCC1 ZINC000351406180 410079196 /nfs/dbraw/zinc/07/91/96/410079196.db2.gz DBCFJCPSLRTCOP-UHFFFAOYSA-N 2 1 308.466 1.464 20 30 DDEDMP C[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329100707 410099818 /nfs/dbraw/zinc/09/98/18/410099818.db2.gz DUMMOOBXPHUUHZ-HNNXBMFYSA-N 2 1 324.469 1.229 20 30 DDEDMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@H]1CCc2nc[nH]c2C1 ZINC000329703639 410418633 /nfs/dbraw/zinc/41/86/33/410418633.db2.gz ILEZURLPAMPZBJ-RDBSUJKOSA-N 2 1 317.437 1.740 20 30 DDEDMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C([O-])=[NH+][C@H]1CCc2[nH]cnc2C1 ZINC000329703639 410418637 /nfs/dbraw/zinc/41/86/37/410418637.db2.gz ILEZURLPAMPZBJ-RDBSUJKOSA-N 2 1 317.437 1.740 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@]2(O)CC[N@@H+](C)C2)cc1Cl ZINC000262277816 222274625 /nfs/dbraw/zinc/27/46/25/222274625.db2.gz IIVBXMMVNLQPIU-AWEZNQCLSA-N 2 1 312.801 1.142 20 30 DDEDMP CCc1cnc(CNC(N[C@@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)s1 ZINC000262754649 222290520 /nfs/dbraw/zinc/29/05/20/222290520.db2.gz CXDOEMGKPUIOCA-LLVKDONJSA-N 2 1 307.467 1.607 20 30 DDEDMP CCc1cnc(CNC(N[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C)s1 ZINC000262754649 222290523 /nfs/dbraw/zinc/29/05/23/222290523.db2.gz CXDOEMGKPUIOCA-LLVKDONJSA-N 2 1 307.467 1.607 20 30 DDEDMP [NH2+]=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)N1CCC1 ZINC000263113418 222303901 /nfs/dbraw/zinc/30/39/01/222303901.db2.gz LFLTTXHTRQKVHP-MRXNPFEDSA-N 2 1 302.422 1.298 20 30 DDEDMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000362037514 418742860 /nfs/dbraw/zinc/74/28/60/418742860.db2.gz IYOGQTUWXKNHPX-FJIDUMEYSA-N 2 1 321.465 1.927 20 30 DDEDMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CCOCC1 ZINC000373223782 418932674 /nfs/dbraw/zinc/93/26/74/418932674.db2.gz LEUWCCGRHMIYRK-HZMVEIRTSA-N 2 1 321.465 1.927 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424183285 228242450 /nfs/dbraw/zinc/24/24/50/228242450.db2.gz VEJVATPIRODUJG-OIISXLGYSA-N 2 1 314.433 1.644 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000491298268 421196889 /nfs/dbraw/zinc/19/68/89/421196889.db2.gz VFHZOHUNSAGLSP-HNNXBMFYSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC000580304778 333083539 /nfs/dbraw/zinc/08/35/39/333083539.db2.gz XPDITIFRWUWFBH-KRWDZBQOSA-N 2 1 304.434 1.975 20 30 DDEDMP N#CCNC(=O)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825341 336260102 /nfs/dbraw/zinc/26/01/02/336260102.db2.gz PHTPWBVDQCSOJB-GOSISDBHSA-N 2 1 312.417 1.224 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000491698333 526802536 /nfs/dbraw/zinc/80/25/36/526802536.db2.gz HJCIUBDHDFHCEX-MRXNPFEDSA-N 2 1 323.506 1.275 20 30 DDEDMP C#CCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000491153646 526976733 /nfs/dbraw/zinc/97/67/33/526976733.db2.gz BRIQKHHFHWHHJX-KRWDZBQOSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000491696442 526980561 /nfs/dbraw/zinc/98/05/61/526980561.db2.gz JBJFEEXROCYDQZ-INIZCTEOSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000491165757 526984605 /nfs/dbraw/zinc/98/46/05/526984605.db2.gz NCENBOHVAFGIHB-AWEZNQCLSA-N 2 1 310.401 1.971 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980236330 696715531 /nfs/dbraw/zinc/71/55/31/696715531.db2.gz DFTYUGHVHTWHAS-ULQDDVLXSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972408212 695241993 /nfs/dbraw/zinc/24/19/93/695241993.db2.gz JFBYSWAVNIZDIQ-WMZOPIPTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000972408212 695241995 /nfs/dbraw/zinc/24/19/95/695241995.db2.gz JFBYSWAVNIZDIQ-WMZOPIPTSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC000972431702 695249517 /nfs/dbraw/zinc/24/95/17/695249517.db2.gz UZNWNCSRNAMQSA-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC000980141061 696690727 /nfs/dbraw/zinc/69/07/27/696690727.db2.gz LTJOKLAOOGFFRC-YESZJQIVSA-N 2 1 322.412 1.798 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)C1 ZINC000981812205 696926337 /nfs/dbraw/zinc/92/63/37/696926337.db2.gz JVQWAEGHOIXASP-MRXNPFEDSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000981839438 696938874 /nfs/dbraw/zinc/93/88/74/696938874.db2.gz WQSYTFSJEBRZHJ-UHFFFAOYSA-N 2 1 317.477 1.973 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981331978 697067765 /nfs/dbraw/zinc/06/77/65/697067765.db2.gz OQMBONXCOQUDDQ-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000981331978 697067766 /nfs/dbraw/zinc/06/77/66/697067766.db2.gz OQMBONXCOQUDDQ-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981331978 697067769 /nfs/dbraw/zinc/06/77/69/697067769.db2.gz OQMBONXCOQUDDQ-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981331978 697067772 /nfs/dbraw/zinc/06/77/72/697067772.db2.gz OQMBONXCOQUDDQ-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553782 697149442 /nfs/dbraw/zinc/14/94/42/697149442.db2.gz QFFMEINURIWVOF-RWQQGDIJSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553782 697149443 /nfs/dbraw/zinc/14/94/43/697149443.db2.gz QFFMEINURIWVOF-RWQQGDIJSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C[C@@]2(C)C1 ZINC000982553782 697149444 /nfs/dbraw/zinc/14/94/44/697149444.db2.gz QFFMEINURIWVOF-RWQQGDIJSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982797540 697180172 /nfs/dbraw/zinc/18/01/72/697180172.db2.gz FQZQJIQDQIEJEZ-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982797540 697180173 /nfs/dbraw/zinc/18/01/73/697180173.db2.gz FQZQJIQDQIEJEZ-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982797540 697180175 /nfs/dbraw/zinc/18/01/75/697180175.db2.gz FQZQJIQDQIEJEZ-NXHRZFHOSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)C2)C1 ZINC000983902532 697313321 /nfs/dbraw/zinc/31/33/21/697313321.db2.gz TYVFDVVMIDMWKX-CNFALQKSSA-N 2 1 317.477 1.615 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)C2)C1 ZINC000983902532 697313324 /nfs/dbraw/zinc/31/33/24/697313324.db2.gz TYVFDVVMIDMWKX-CNFALQKSSA-N 2 1 317.477 1.615 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000246803954 698355490 /nfs/dbraw/zinc/35/54/90/698355490.db2.gz TXYGRFQLSNKMOA-IAGOWNOFSA-N 2 1 316.449 1.734 20 30 DDEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261999567 698449565 /nfs/dbraw/zinc/44/95/65/698449565.db2.gz TZQPANMGSMUPQT-QEORTHHSSA-N 2 1 320.437 1.135 20 30 DDEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)[NH+](C)C ZINC000303791434 698607601 /nfs/dbraw/zinc/60/76/01/698607601.db2.gz XODBKECWWCCQPW-HOTGVXAUSA-N 3 1 311.518 1.741 20 30 DDEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)N(C)C ZINC000303791434 698607604 /nfs/dbraw/zinc/60/76/04/698607604.db2.gz XODBKECWWCCQPW-HOTGVXAUSA-N 2 1 311.518 1.741 20 30 DDEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)N(C)C ZINC000303791434 698607605 /nfs/dbraw/zinc/60/76/05/698607605.db2.gz XODBKECWWCCQPW-HOTGVXAUSA-N 2 1 311.518 1.741 20 30 DDEDMP CCc1nc(C[NH+]2CCC(CNC(NC)=[NH+]C)CC2)cs1 ZINC000304078370 698614982 /nfs/dbraw/zinc/61/49/82/698614982.db2.gz XVEOMPADFAZUGG-UHFFFAOYSA-N 2 1 309.483 1.712 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989513041 698652550 /nfs/dbraw/zinc/65/25/50/698652550.db2.gz BYEBFZNWNFFGJL-HUUCEWRRSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989616473 698695744 /nfs/dbraw/zinc/69/57/44/698695744.db2.gz WIKGGQQTPQGFCZ-ZFWWWQNUSA-N 2 1 309.373 1.093 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](CC[C@H](C)F)CC2)CC1 ZINC000989734905 698745509 /nfs/dbraw/zinc/74/55/09/698745509.db2.gz JWJOCEWWXGAJLA-INIZCTEOSA-N 2 1 323.456 1.614 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990690313 699133620 /nfs/dbraw/zinc/13/36/20/699133620.db2.gz STVPZXOYIVVHLS-XYJFISCASA-N 2 1 303.450 1.627 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000743493250 699914935 /nfs/dbraw/zinc/91/49/35/699914935.db2.gz KUNXAYUWHBMIEP-XHSDSOJGSA-N 2 1 305.466 1.852 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879575325 706724055 /nfs/dbraw/zinc/72/40/55/706724055.db2.gz JBHLVLWMOXBJCD-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879575325 706724057 /nfs/dbraw/zinc/72/40/57/706724057.db2.gz JBHLVLWMOXBJCD-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879575325 706724061 /nfs/dbraw/zinc/72/40/61/706724061.db2.gz JBHLVLWMOXBJCD-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879575325 706724064 /nfs/dbraw/zinc/72/40/64/706724064.db2.gz JBHLVLWMOXBJCD-WBVHZDCISA-N 2 1 312.417 1.913 20 30 DDEDMP C#C[C@H](CC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000854073234 704353150 /nfs/dbraw/zinc/35/31/50/704353150.db2.gz SSZRHDBAAGLWEI-CVEARBPZSA-N 2 1 308.470 1.456 20 30 DDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cn1 ZINC000857234920 704567799 /nfs/dbraw/zinc/56/77/99/704567799.db2.gz NDPVIUVCFNHGLW-OAHLLOKOSA-N 2 1 313.405 1.966 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000876715583 705835424 /nfs/dbraw/zinc/83/54/24/705835424.db2.gz QDQUFDNYCYNFBF-AVGNSLFASA-N 2 1 317.861 1.460 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000876765691 705865644 /nfs/dbraw/zinc/86/56/44/705865644.db2.gz WWLPGMOALHOECA-CYBMUJFWSA-N 2 1 324.812 1.595 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000927492021 712995233 /nfs/dbraw/zinc/99/52/33/712995233.db2.gz VIJIRMHFQCVBSL-UHFFFAOYSA-N 2 1 315.421 1.199 20 30 DDEDMP CC(C)c1[nH+]ccn1CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884196504 708182834 /nfs/dbraw/zinc/18/28/34/708182834.db2.gz SXDSJTHUKFLDKO-UUCFBXCCSA-N 2 1 315.421 1.262 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000884233209 708202543 /nfs/dbraw/zinc/20/25/43/708202543.db2.gz LSZXTVGKJBJJEM-JYJNAYRXSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000884233209 708202546 /nfs/dbraw/zinc/20/25/46/708202546.db2.gz LSZXTVGKJBJJEM-JYJNAYRXSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CC)[C@H]2CC[N@H+](CC)C2)C1 ZINC000890362441 709835350 /nfs/dbraw/zinc/83/53/50/709835350.db2.gz CKQFSSABGXJDEL-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)C1 ZINC000890362441 709835355 /nfs/dbraw/zinc/83/53/55/709835355.db2.gz CKQFSSABGXJDEL-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000890362441 709835360 /nfs/dbraw/zinc/83/53/60/709835360.db2.gz CKQFSSABGXJDEL-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC)[C@H]2CC[NH+](CC)C2)C1 ZINC000890362441 709835363 /nfs/dbraw/zinc/83/53/63/709835363.db2.gz CKQFSSABGXJDEL-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000890363127 709836028 /nfs/dbraw/zinc/83/60/28/709836028.db2.gz KTPQLQRHDZTEDE-HZPDHXFCSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)C1 ZINC000890363127 709836031 /nfs/dbraw/zinc/83/60/31/709836031.db2.gz KTPQLQRHDZTEDE-HZPDHXFCSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)C1 ZINC000890363127 709836037 /nfs/dbraw/zinc/83/60/37/709836037.db2.gz KTPQLQRHDZTEDE-HZPDHXFCSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)C1 ZINC000890363127 709836041 /nfs/dbraw/zinc/83/60/41/709836041.db2.gz KTPQLQRHDZTEDE-HZPDHXFCSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)C1 ZINC000890363425 709836755 /nfs/dbraw/zinc/83/67/55/709836755.db2.gz OIKUPIDJMMMHKE-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000890363425 709836758 /nfs/dbraw/zinc/83/67/58/709836758.db2.gz OIKUPIDJMMMHKE-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCC)[C@@H]2CC[NH+](C)C2)C1 ZINC000890363425 709836762 /nfs/dbraw/zinc/83/67/62/709836762.db2.gz OIKUPIDJMMMHKE-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCC)[C@@H]2CC[NH+](C)C2)C1 ZINC000890363425 709836766 /nfs/dbraw/zinc/83/67/66/709836766.db2.gz OIKUPIDJMMMHKE-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000890368127 709840379 /nfs/dbraw/zinc/84/03/79/709840379.db2.gz CMZGYYRRLCXQIZ-ULQDDVLXSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000890368127 709840380 /nfs/dbraw/zinc/84/03/80/709840380.db2.gz CMZGYYRRLCXQIZ-ULQDDVLXSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000890368127 709840385 /nfs/dbraw/zinc/84/03/85/709840385.db2.gz CMZGYYRRLCXQIZ-ULQDDVLXSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000890368127 709840390 /nfs/dbraw/zinc/84/03/90/709840390.db2.gz CMZGYYRRLCXQIZ-ULQDDVLXSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000890370523 709841896 /nfs/dbraw/zinc/84/18/96/709841896.db2.gz AKIPEZCWSAMKEC-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000890370523 709841900 /nfs/dbraw/zinc/84/19/00/709841900.db2.gz AKIPEZCWSAMKEC-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000890370523 709841903 /nfs/dbraw/zinc/84/19/03/709841903.db2.gz AKIPEZCWSAMKEC-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000890370523 709841907 /nfs/dbraw/zinc/84/19/07/709841907.db2.gz AKIPEZCWSAMKEC-HOTGVXAUSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000890376890 709846225 /nfs/dbraw/zinc/84/62/25/709846225.db2.gz BPILIZMHOCUPPS-MRXNPFEDSA-N 2 1 318.465 1.354 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000890376890 709846229 /nfs/dbraw/zinc/84/62/29/709846229.db2.gz BPILIZMHOCUPPS-MRXNPFEDSA-N 2 1 318.465 1.354 20 30 DDEDMP C=CCNC(NC[C@@H](C)CN1CC[NH+](C)CC1)=[NH+]C(C)(C)C ZINC000912496947 711352481 /nfs/dbraw/zinc/35/24/81/711352481.db2.gz IKVZGGSJOWMOOT-OAHLLOKOSA-N 2 1 309.502 1.390 20 30 DDEDMP C#CCN(C(=O)N[C@H]1C[N@@H+](CC)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000921407026 713759200 /nfs/dbraw/zinc/75/92/00/713759200.db2.gz SKJPNEWNTIRTPV-ZBFHGGJFSA-N 2 1 306.454 1.066 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000923383156 714336121 /nfs/dbraw/zinc/33/61/21/714336121.db2.gz XMNBVXSLTVFUBU-HNNXBMFYSA-N 2 1 301.390 1.126 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000923424695 714351605 /nfs/dbraw/zinc/35/16/05/714351605.db2.gz AUANNAONMRQINC-INIZCTEOSA-N 2 1 315.417 1.516 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000923424695 714351608 /nfs/dbraw/zinc/35/16/08/714351608.db2.gz AUANNAONMRQINC-INIZCTEOSA-N 2 1 315.417 1.516 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000957603085 715966893 /nfs/dbraw/zinc/96/68/93/715966893.db2.gz NQIWHDXDFPIWOQ-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000958554379 716618843 /nfs/dbraw/zinc/61/88/43/716618843.db2.gz DMOGMKZWOYUOCU-IRXDYDNUSA-N 2 1 323.481 1.092 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000961186666 716854236 /nfs/dbraw/zinc/85/42/36/716854236.db2.gz RHGSYKPXLKKWBS-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940744721 716941014 /nfs/dbraw/zinc/94/10/14/716941014.db2.gz LAFNCIRIZCIRHU-HOTGVXAUSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC000940807174 716969648 /nfs/dbraw/zinc/96/96/48/716969648.db2.gz JBUOQLICKPDRSE-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)CC1(C)C ZINC000940807174 716969652 /nfs/dbraw/zinc/96/96/52/716969652.db2.gz JBUOQLICKPDRSE-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC1(C)C ZINC000940807174 716969655 /nfs/dbraw/zinc/96/96/55/716969655.db2.gz JBUOQLICKPDRSE-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)CC1(C)C ZINC000940807174 716969659 /nfs/dbraw/zinc/96/96/59/716969659.db2.gz JBUOQLICKPDRSE-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000963412545 717780778 /nfs/dbraw/zinc/78/07/78/717780778.db2.gz BWMAIGVJDCWFSZ-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000965932893 717821007 /nfs/dbraw/zinc/82/10/07/717821007.db2.gz CJCUSLHZKXFKOG-GFBLOWMDSA-N 2 1 303.450 1.509 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945089821 718391908 /nfs/dbraw/zinc/39/19/08/718391908.db2.gz IEINQDRODJKIQC-MAUKXSAKSA-N 2 1 313.445 1.822 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645677 718864518 /nfs/dbraw/zinc/86/45/18/718864518.db2.gz XCOFXEQXOIXAQH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645677 718864520 /nfs/dbraw/zinc/86/45/20/718864520.db2.gz XCOFXEQXOIXAQH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645677 718864522 /nfs/dbraw/zinc/86/45/22/718864522.db2.gz XCOFXEQXOIXAQH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615203 719227523 /nfs/dbraw/zinc/22/75/23/719227523.db2.gz GHDXCIMDHCEIIJ-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000948384699 719476968 /nfs/dbraw/zinc/47/69/68/719476968.db2.gz FGXPQTRSNPFNAA-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948384699 719476971 /nfs/dbraw/zinc/47/69/71/719476971.db2.gz FGXPQTRSNPFNAA-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000948384699 719476974 /nfs/dbraw/zinc/47/69/74/719476974.db2.gz FGXPQTRSNPFNAA-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000948542596 719539568 /nfs/dbraw/zinc/53/95/68/719539568.db2.gz TXUGKPHIXXNLBM-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000948542596 719539572 /nfs/dbraw/zinc/53/95/72/719539572.db2.gz TXUGKPHIXXNLBM-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948542596 719539576 /nfs/dbraw/zinc/53/95/76/719539576.db2.gz TXUGKPHIXXNLBM-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000948542596 719539580 /nfs/dbraw/zinc/53/95/80/719539580.db2.gz TXUGKPHIXXNLBM-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000968856719 719827011 /nfs/dbraw/zinc/82/70/11/719827011.db2.gz NJXOOIRVGPJKBM-QZTJIDSGSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000968907041 719858809 /nfs/dbraw/zinc/85/88/09/719858809.db2.gz CDHSJKLACHMHGI-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000969118921 719966971 /nfs/dbraw/zinc/96/69/71/719966971.db2.gz ZXDDOHWFUUWKLC-MRXNPFEDSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153336 719979160 /nfs/dbraw/zinc/97/91/60/719979160.db2.gz FRCLTJKXQKDQNU-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153336 719979162 /nfs/dbraw/zinc/97/91/62/719979162.db2.gz FRCLTJKXQKDQNU-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153336 719979165 /nfs/dbraw/zinc/97/91/65/719979165.db2.gz FRCLTJKXQKDQNU-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153336 719979167 /nfs/dbraw/zinc/97/91/67/719979167.db2.gz FRCLTJKXQKDQNU-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(=C)C)C1 ZINC000969864556 720539876 /nfs/dbraw/zinc/53/98/76/720539876.db2.gz CYWKCBBWCBWMGG-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCC(=C)C)C1 ZINC000969864556 720539878 /nfs/dbraw/zinc/53/98/78/720539878.db2.gz CYWKCBBWCBWMGG-RDJZCZTQSA-N 2 1 303.450 1.487 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529291 720798263 /nfs/dbraw/zinc/79/82/63/720798263.db2.gz NXHWDUCSQQQKFT-DOTOQJQBSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001206794920 732493484 /nfs/dbraw/zinc/49/34/84/732493484.db2.gz VNBCPTBPTLNNNG-UHFFFAOYSA-N 2 1 311.470 1.359 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC=C(C)C)CC1 ZINC001039042468 732493804 /nfs/dbraw/zinc/49/38/04/732493804.db2.gz RGSOVRATWYONIL-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664115 733416865 /nfs/dbraw/zinc/41/68/65/733416865.db2.gz FSWJWSRSULTHRS-QZTJIDSGSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929335 738825755 /nfs/dbraw/zinc/82/57/55/738825755.db2.gz DYLXFHQEFOEFQZ-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001027929335 738825759 /nfs/dbraw/zinc/82/57/59/738825759.db2.gz DYLXFHQEFOEFQZ-HUUCEWRRSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC#CC)C2 ZINC001121250788 782425600 /nfs/dbraw/zinc/42/56/00/782425600.db2.gz HCKYBJVPQBHAFE-RFSHTEQGSA-N 2 1 313.445 1.124 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC#CC)C2 ZINC001121250788 782425606 /nfs/dbraw/zinc/42/56/06/782425606.db2.gz HCKYBJVPQBHAFE-RFSHTEQGSA-N 2 1 313.445 1.124 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023402312 735210955 /nfs/dbraw/zinc/21/09/55/735210955.db2.gz KBKDLPCSJONEBD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402312 735210957 /nfs/dbraw/zinc/21/09/57/735210957.db2.gz KBKDLPCSJONEBD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402312 735210960 /nfs/dbraw/zinc/21/09/60/735210960.db2.gz KBKDLPCSJONEBD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001023422441 735225739 /nfs/dbraw/zinc/22/57/39/735225739.db2.gz NIMMORJECQZBLD-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC(=C)C)C1 ZINC001023422441 735225740 /nfs/dbraw/zinc/22/57/40/735225740.db2.gz NIMMORJECQZBLD-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(=C)C)C1 ZINC001023422441 735225742 /nfs/dbraw/zinc/22/57/42/735225742.db2.gz NIMMORJECQZBLD-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CC(=C)C)C1 ZINC001023422441 735225743 /nfs/dbraw/zinc/22/57/43/735225743.db2.gz NIMMORJECQZBLD-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001023452092 735247636 /nfs/dbraw/zinc/24/76/36/735247636.db2.gz WXIFQWAUZSWFNQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001023452092 735247642 /nfs/dbraw/zinc/24/76/42/735247642.db2.gz WXIFQWAUZSWFNQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001023452092 735247645 /nfs/dbraw/zinc/24/76/45/735247645.db2.gz WXIFQWAUZSWFNQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452092 735247650 /nfs/dbraw/zinc/24/76/50/735247650.db2.gz WXIFQWAUZSWFNQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001023452092 735247654 /nfs/dbraw/zinc/24/76/54/735247654.db2.gz WXIFQWAUZSWFNQ-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024442620 735830705 /nfs/dbraw/zinc/83/07/05/735830705.db2.gz SYHLIPYNANRMOV-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035255039 751361271 /nfs/dbraw/zinc/36/12/71/751361271.db2.gz YONFJULXPPUPJX-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035255039 751361278 /nfs/dbraw/zinc/36/12/78/751361278.db2.gz YONFJULXPPUPJX-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516574 735893977 /nfs/dbraw/zinc/89/39/77/735893977.db2.gz LJQDTDHJVQUHOP-JKSUJKDBSA-N 2 1 314.433 1.440 20 30 DDEDMP CC#CCN1CCCC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516574 735893980 /nfs/dbraw/zinc/89/39/80/735893980.db2.gz LJQDTDHJVQUHOP-JKSUJKDBSA-N 2 1 314.433 1.440 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624238 735989916 /nfs/dbraw/zinc/98/99/16/735989916.db2.gz MWVWGYGOFDFBSX-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001024624238 735989918 /nfs/dbraw/zinc/98/99/18/735989918.db2.gz MWVWGYGOFDFBSX-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001024807184 736103606 /nfs/dbraw/zinc/10/36/06/736103606.db2.gz ANBDTIPPEFTUOY-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001024807184 736103608 /nfs/dbraw/zinc/10/36/08/736103608.db2.gz ANBDTIPPEFTUOY-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807184 736103613 /nfs/dbraw/zinc/10/36/13/736103613.db2.gz ANBDTIPPEFTUOY-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001024807184 736103616 /nfs/dbraw/zinc/10/36/16/736103616.db2.gz ANBDTIPPEFTUOY-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001025268172 736399224 /nfs/dbraw/zinc/39/92/24/736399224.db2.gz WCQISKPSVIBJNF-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472179 736705367 /nfs/dbraw/zinc/70/53/67/736705367.db2.gz NWBKIJXINOQJGU-ZBFHGGJFSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026100063 737118328 /nfs/dbraw/zinc/11/83/28/737118328.db2.gz SSURSAHNTZYLAN-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026100063 737118333 /nfs/dbraw/zinc/11/83/33/737118333.db2.gz SSURSAHNTZYLAN-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026100063 737118336 /nfs/dbraw/zinc/11/83/36/737118336.db2.gz SSURSAHNTZYLAN-NRKLIOEPSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139809 737139677 /nfs/dbraw/zinc/13/96/77/737139677.db2.gz UDHIYWRLTOJMDX-ALYAQQCSSA-N 2 1 305.466 1.729 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075905094 741883176 /nfs/dbraw/zinc/88/31/76/741883176.db2.gz YDGDRGAYWMNSFH-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075905094 741883181 /nfs/dbraw/zinc/88/31/81/741883181.db2.gz YDGDRGAYWMNSFH-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075905094 741883186 /nfs/dbraw/zinc/88/31/86/741883186.db2.gz YDGDRGAYWMNSFH-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028254246 739237425 /nfs/dbraw/zinc/23/74/25/739237425.db2.gz QDPWDWYWVSMZLS-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001028329352 739367660 /nfs/dbraw/zinc/36/76/60/739367660.db2.gz KJPREWMDILCBDC-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001028329352 739367664 /nfs/dbraw/zinc/36/76/64/739367664.db2.gz KJPREWMDILCBDC-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001028329352 739367668 /nfs/dbraw/zinc/36/76/68/739367668.db2.gz KJPREWMDILCBDC-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329352 739367673 /nfs/dbraw/zinc/36/76/73/739367673.db2.gz KJPREWMDILCBDC-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001028329352 739367680 /nfs/dbraw/zinc/36/76/80/739367680.db2.gz KJPREWMDILCBDC-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1CC ZINC001037868622 751520245 /nfs/dbraw/zinc/52/02/45/751520245.db2.gz BUJSRSSOGDPSGB-ZFWWWQNUSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813692 740659083 /nfs/dbraw/zinc/65/90/83/740659083.db2.gz UVRIAXUBTMMIEU-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813692 740659085 /nfs/dbraw/zinc/65/90/85/740659085.db2.gz UVRIAXUBTMMIEU-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813692 740659086 /nfs/dbraw/zinc/65/90/86/740659086.db2.gz UVRIAXUBTMMIEU-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001087573960 740660042 /nfs/dbraw/zinc/66/00/42/740660042.db2.gz LZPQJKWGIYKZCD-IXDOHACOSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1CC ZINC001087576733 740662455 /nfs/dbraw/zinc/66/24/55/740662455.db2.gz ZLFDWMKWNNESHC-GOEBONIOSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777027 740745538 /nfs/dbraw/zinc/74/55/38/740745538.db2.gz INIZAZZULIKBJI-DLBZAZTESA-N 2 1 323.400 1.483 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1CC ZINC001087777027 740745541 /nfs/dbraw/zinc/74/55/41/740745541.db2.gz INIZAZZULIKBJI-DLBZAZTESA-N 2 1 323.400 1.483 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088126140 741047207 /nfs/dbraw/zinc/04/72/07/741047207.db2.gz QNFSIZFLBHIKBO-CVEARBPZSA-N 2 1 316.449 1.973 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088126140 741047209 /nfs/dbraw/zinc/04/72/09/741047209.db2.gz QNFSIZFLBHIKBO-CVEARBPZSA-N 2 1 316.449 1.973 20 30 DDEDMP C=C(C)C(=O)OCCNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001168072313 741246098 /nfs/dbraw/zinc/24/60/98/741246098.db2.gz XCJQXQQGZBDDNG-UHFFFAOYSA-N 2 1 300.362 1.552 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001088329315 741392249 /nfs/dbraw/zinc/39/22/49/741392249.db2.gz SVRVXAKYJBSXLI-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1 ZINC001088329315 741392252 /nfs/dbraw/zinc/39/22/52/741392252.db2.gz SVRVXAKYJBSXLI-CVEARBPZSA-N 2 1 309.429 1.414 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291097 742159205 /nfs/dbraw/zinc/15/92/05/742159205.db2.gz QWTJJUOFHKGPQT-IYBDPMFKSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001035609991 751715327 /nfs/dbraw/zinc/71/53/27/751715327.db2.gz UDFWJVSJYYNHQH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001035609991 751715331 /nfs/dbraw/zinc/71/53/31/751715331.db2.gz UDFWJVSJYYNHQH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035609991 751715334 /nfs/dbraw/zinc/71/53/34/751715334.db2.gz UDFWJVSJYYNHQH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035609991 751715337 /nfs/dbraw/zinc/71/53/37/751715337.db2.gz UDFWJVSJYYNHQH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001076241398 742614173 /nfs/dbraw/zinc/61/41/73/742614173.db2.gz NLTHKEJUIDWDCJ-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001183354040 743821936 /nfs/dbraw/zinc/82/19/36/743821936.db2.gz NBQRVNFTLJZDQO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001183354040 743821940 /nfs/dbraw/zinc/82/19/40/743821940.db2.gz NBQRVNFTLJZDQO-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001185548857 744245426 /nfs/dbraw/zinc/24/54/26/744245426.db2.gz OUOGIRVKXCIOGF-SJORKVTESA-N 2 1 307.482 1.816 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001185547436 744253030 /nfs/dbraw/zinc/25/30/30/744253030.db2.gz GRVCHWUVDAZJSB-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405503 744705836 /nfs/dbraw/zinc/70/58/36/744705836.db2.gz IYPUFGXYKOJEAF-DOTOQJQBSA-N 2 1 314.433 1.627 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992414299 744864515 /nfs/dbraw/zinc/86/45/15/744864515.db2.gz WYYMYAHCJUUQAJ-MAUKXSAKSA-N 2 1 303.450 1.772 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC)CC2 ZINC001040731378 744895783 /nfs/dbraw/zinc/89/57/83/744895783.db2.gz JAINNSVFTNXYDB-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCC)CC2 ZINC001040731378 744895787 /nfs/dbraw/zinc/89/57/87/744895787.db2.gz JAINNSVFTNXYDB-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992487751 744914097 /nfs/dbraw/zinc/91/40/97/744914097.db2.gz MFGVIQQKAGAINR-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992487751 744914099 /nfs/dbraw/zinc/91/40/99/744914099.db2.gz MFGVIQQKAGAINR-NVXWUHKLSA-N 2 1 300.406 1.328 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000992772472 745187161 /nfs/dbraw/zinc/18/71/61/745187161.db2.gz OYVNYNYJRMSXSC-BZUAXINKSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001190725742 745307664 /nfs/dbraw/zinc/30/76/64/745307664.db2.gz RDBKKYOEAQUXKI-DFOOCIKTSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC/C=C\CC)C1 ZINC001190725742 745307669 /nfs/dbraw/zinc/30/76/69/745307669.db2.gz RDBKKYOEAQUXKI-DFOOCIKTSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001190725742 745307674 /nfs/dbraw/zinc/30/76/74/745307674.db2.gz RDBKKYOEAQUXKI-DFOOCIKTSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC/C=C\CC)C1 ZINC001190725742 745307679 /nfs/dbraw/zinc/30/76/79/745307679.db2.gz RDBKKYOEAQUXKI-DFOOCIKTSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC/C=C\CC)C1 ZINC001190725742 745307685 /nfs/dbraw/zinc/30/76/85/745307685.db2.gz RDBKKYOEAQUXKI-DFOOCIKTSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191544122 745538816 /nfs/dbraw/zinc/53/88/16/745538816.db2.gz ZEDHIEIGOHMNCU-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989562 745659788 /nfs/dbraw/zinc/65/97/88/745659788.db2.gz YQVBNNFNDYAPAX-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001191989562 745659794 /nfs/dbraw/zinc/65/97/94/745659794.db2.gz YQVBNNFNDYAPAX-WBVHZDCISA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994130359 746455909 /nfs/dbraw/zinc/45/59/09/746455909.db2.gz XKAISRHIKRYUDW-DOTOQJQBSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001007360683 752110067 /nfs/dbraw/zinc/11/00/67/752110067.db2.gz SVPIKXCWGPFQJV-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001196215344 746800081 /nfs/dbraw/zinc/80/00/81/746800081.db2.gz CCPHYJHPVJMWSJ-INIZCTEOSA-N 2 1 311.470 1.310 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCF)CC(C)(C)C1 ZINC001089408857 746820880 /nfs/dbraw/zinc/82/08/80/746820880.db2.gz IKGOKNNRVOEIIK-HOTGVXAUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001089408857 746820892 /nfs/dbraw/zinc/82/08/92/746820892.db2.gz IKGOKNNRVOEIIK-HOTGVXAUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCF)CC(C)(C)C1 ZINC001089408857 746820898 /nfs/dbraw/zinc/82/08/98/746820898.db2.gz IKGOKNNRVOEIIK-HOTGVXAUSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCF)CC(C)(C)C1 ZINC001089408857 746820908 /nfs/dbraw/zinc/82/09/08/746820908.db2.gz IKGOKNNRVOEIIK-HOTGVXAUSA-N 2 1 323.456 1.660 20 30 DDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001198047283 747346464 /nfs/dbraw/zinc/34/64/64/747346464.db2.gz JOXYBPYFCYNXPE-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198047283 747346468 /nfs/dbraw/zinc/34/64/68/747346468.db2.gz JOXYBPYFCYNXPE-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198047283 747346473 /nfs/dbraw/zinc/34/64/73/747346473.db2.gz JOXYBPYFCYNXPE-HZPDHXFCSA-N 2 1 313.486 1.460 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007494358 752173109 /nfs/dbraw/zinc/17/31/09/752173109.db2.gz XEUGUMTULZVJNW-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001007494358 752173114 /nfs/dbraw/zinc/17/31/14/752173114.db2.gz XEUGUMTULZVJNW-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001007494358 752173118 /nfs/dbraw/zinc/17/31/18/752173118.db2.gz XEUGUMTULZVJNW-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001007494358 752173122 /nfs/dbraw/zinc/17/31/22/752173122.db2.gz XEUGUMTULZVJNW-NVXWUHKLSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001031668830 747352291 /nfs/dbraw/zinc/35/22/91/747352291.db2.gz PSXDPFCAWUFRFT-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642091 747539601 /nfs/dbraw/zinc/53/96/01/747539601.db2.gz AXSHOKMBZCUDLP-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001089642091 747539603 /nfs/dbraw/zinc/53/96/03/747539603.db2.gz AXSHOKMBZCUDLP-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642091 747539606 /nfs/dbraw/zinc/53/96/06/747539606.db2.gz AXSHOKMBZCUDLP-BRWVUGGUSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCO1 ZINC001200537897 748271403 /nfs/dbraw/zinc/27/14/03/748271403.db2.gz VEZWUAXPNBEQKT-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805997 748351666 /nfs/dbraw/zinc/35/16/66/748351666.db2.gz OQUFKUWGKDRJGF-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001004367183 748368116 /nfs/dbraw/zinc/36/81/16/748368116.db2.gz BZNKGXSYCKBKHK-ZWKOTPCHSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C/C=C\Cl)CC1 ZINC001201093620 748408461 /nfs/dbraw/zinc/40/84/61/748408461.db2.gz GHROEQOTJBJAKF-UVCVVPOWSA-N 2 1 309.841 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C/C=C\Cl)CC1 ZINC001201093620 748408464 /nfs/dbraw/zinc/40/84/64/748408464.db2.gz GHROEQOTJBJAKF-UVCVVPOWSA-N 2 1 309.841 1.417 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)CCCO1 ZINC001201808879 748606818 /nfs/dbraw/zinc/60/68/18/748606818.db2.gz IMOLKTMCUFNHAQ-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCCO1 ZINC001201924557 748646117 /nfs/dbraw/zinc/64/61/17/748646117.db2.gz ORUHCFMPWXEGRL-CQSZACIVSA-N 2 1 317.861 1.288 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001044781715 749124915 /nfs/dbraw/zinc/12/49/15/749124915.db2.gz VVFCUQCRQYFPDW-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001033682321 749709729 /nfs/dbraw/zinc/70/97/29/749709729.db2.gz BISXGFYUPMWGNT-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033874571 750007652 /nfs/dbraw/zinc/00/76/52/750007652.db2.gz BFNJQVAHYZQNLX-GJZGRUSLSA-N 2 1 302.422 1.554 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609381 750233641 /nfs/dbraw/zinc/23/36/41/750233641.db2.gz PVPBARYZWKTJKR-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609381 750233647 /nfs/dbraw/zinc/23/36/47/750233647.db2.gz PVPBARYZWKTJKR-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001107609381 750233650 /nfs/dbraw/zinc/23/36/50/750233650.db2.gz PVPBARYZWKTJKR-YQVWRLOYSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001111018170 750307444 /nfs/dbraw/zinc/30/74/44/750307444.db2.gz LXBWTRDUIPYPIB-NCOADZHNSA-N 2 1 305.466 1.852 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108398969 762030730 /nfs/dbraw/zinc/03/07/30/762030730.db2.gz LIMJQSPHSGDJBP-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812227 750469291 /nfs/dbraw/zinc/46/92/91/750469291.db2.gz HCEJIOKDBAPITQ-LTIDMASMSA-N 2 1 301.434 1.216 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812227 750469295 /nfs/dbraw/zinc/46/92/95/750469295.db2.gz HCEJIOKDBAPITQ-LTIDMASMSA-N 2 1 301.434 1.216 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccn3c[nH+]cc3c1)CC2 ZINC001035203194 751284972 /nfs/dbraw/zinc/28/49/72/751284972.db2.gz APECEEBWLUMXTA-UHFFFAOYSA-N 2 1 322.412 1.896 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035225790 751302302 /nfs/dbraw/zinc/30/23/02/751302302.db2.gz AAVYABSSWLTMCS-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035225790 751302307 /nfs/dbraw/zinc/30/23/07/751302307.db2.gz AAVYABSSWLTMCS-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035225790 751302312 /nfs/dbraw/zinc/30/23/12/751302312.db2.gz AAVYABSSWLTMCS-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001009586949 753260834 /nfs/dbraw/zinc/26/08/34/753260834.db2.gz DROTYCMBCIHTJZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001009586949 753260838 /nfs/dbraw/zinc/26/08/38/753260838.db2.gz DROTYCMBCIHTJZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009586949 753260841 /nfs/dbraw/zinc/26/08/41/753260841.db2.gz DROTYCMBCIHTJZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001009586949 753260846 /nfs/dbraw/zinc/26/08/46/753260846.db2.gz DROTYCMBCIHTJZ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183159 753622095 /nfs/dbraw/zinc/62/20/95/753622095.db2.gz YJNGATXQIKWVEN-DOTOQJQBSA-N 2 1 311.470 1.500 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001079844892 755606716 /nfs/dbraw/zinc/60/67/16/755606716.db2.gz GGACUFWVLGNTQZ-IXDOHACOSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001079844892 755606717 /nfs/dbraw/zinc/60/67/17/755606717.db2.gz GGACUFWVLGNTQZ-IXDOHACOSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001079844892 755606719 /nfs/dbraw/zinc/60/67/19/755606719.db2.gz GGACUFWVLGNTQZ-IXDOHACOSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001040210283 762439804 /nfs/dbraw/zinc/43/98/04/762439804.db2.gz UUBUUSHLYIFDRR-MJGOQNOKSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001040263993 762467508 /nfs/dbraw/zinc/46/75/08/762467508.db2.gz KQHOFKHVBGYIKN-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263993 762467510 /nfs/dbraw/zinc/46/75/10/762467510.db2.gz KQHOFKHVBGYIKN-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001040263993 762467512 /nfs/dbraw/zinc/46/75/12/762467512.db2.gz KQHOFKHVBGYIKN-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082198715 756672896 /nfs/dbraw/zinc/67/28/96/756672896.db2.gz JMBIHXOLZWWIAF-GVDBMIGSSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001016611679 757203514 /nfs/dbraw/zinc/20/35/14/757203514.db2.gz FAQOBTDUUQXDOD-IAGOWNOFSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001016791045 757355730 /nfs/dbraw/zinc/35/57/30/757355730.db2.gz RCBQXEJTMBMZGO-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734017 757440352 /nfs/dbraw/zinc/44/03/52/757440352.db2.gz BZESPMVOZMIUNF-OAGGEKHMSA-N 2 1 315.417 1.700 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1occc1C[NH+](C)C)C2 ZINC001097734017 757440358 /nfs/dbraw/zinc/44/03/58/757440358.db2.gz BZESPMVOZMIUNF-OAGGEKHMSA-N 2 1 315.417 1.700 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001084404011 757561301 /nfs/dbraw/zinc/56/13/01/757561301.db2.gz NVORKWFAVFMYPT-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662377 757744469 /nfs/dbraw/zinc/74/44/69/757744469.db2.gz HJBYUOFOHOVLSU-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662377 757744473 /nfs/dbraw/zinc/74/44/73/757744473.db2.gz HJBYUOFOHOVLSU-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001084662377 757744479 /nfs/dbraw/zinc/74/44/79/757744479.db2.gz HJBYUOFOHOVLSU-GVDBMIGSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663568 757753154 /nfs/dbraw/zinc/75/31/54/757753154.db2.gz JJROWNYEYOBWMZ-BFYDXBDKSA-N 2 1 314.433 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001084663568 757753165 /nfs/dbraw/zinc/75/31/65/757753165.db2.gz JJROWNYEYOBWMZ-BFYDXBDKSA-N 2 1 314.433 1.473 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3CCCC)[C@@H]2C1 ZINC001084768172 757887026 /nfs/dbraw/zinc/88/70/26/757887026.db2.gz XXSXKHUIKDHZJN-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)[C@@H]2C1 ZINC001084768172 757887040 /nfs/dbraw/zinc/88/70/40/757887040.db2.gz XXSXKHUIKDHZJN-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768172 757887051 /nfs/dbraw/zinc/88/70/51/757887051.db2.gz XXSXKHUIKDHZJN-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)[C@@H]2C1 ZINC001084768172 757887065 /nfs/dbraw/zinc/88/70/65/757887065.db2.gz XXSXKHUIKDHZJN-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001040543329 762587021 /nfs/dbraw/zinc/58/70/21/762587021.db2.gz OWYQUIKSTYBMTE-LJQANCHMSA-N 2 1 317.477 1.810 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849640 757981294 /nfs/dbraw/zinc/98/12/94/757981294.db2.gz LVXGJCXXTFNWQY-QZTJIDSGSA-N 2 1 311.429 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001084849640 757981298 /nfs/dbraw/zinc/98/12/98/757981298.db2.gz LVXGJCXXTFNWQY-QZTJIDSGSA-N 2 1 311.429 1.528 20 30 DDEDMP C=C(Cl)CN1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092701 758229874 /nfs/dbraw/zinc/22/98/74/758229874.db2.gz MPALXYWNOUCOEF-KFWWJZLASA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092701 758229881 /nfs/dbraw/zinc/22/98/81/758229881.db2.gz MPALXYWNOUCOEF-KFWWJZLASA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092701 758229887 /nfs/dbraw/zinc/22/98/87/758229887.db2.gz MPALXYWNOUCOEF-KFWWJZLASA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092701 758229895 /nfs/dbraw/zinc/22/98/95/758229895.db2.gz MPALXYWNOUCOEF-KFWWJZLASA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092701 758229902 /nfs/dbraw/zinc/22/99/02/758229902.db2.gz MPALXYWNOUCOEF-KFWWJZLASA-N 2 1 311.857 1.613 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001018636496 759057655 /nfs/dbraw/zinc/05/76/55/759057655.db2.gz VBHYSBKWNIBHGA-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC001054109803 759175659 /nfs/dbraw/zinc/17/56/59/759175659.db2.gz SNZJJZIYMDYPSM-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054109803 759175664 /nfs/dbraw/zinc/17/56/64/759175664.db2.gz SNZJJZIYMDYPSM-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054109803 759175670 /nfs/dbraw/zinc/17/56/70/759175670.db2.gz SNZJJZIYMDYPSM-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054109803 759175673 /nfs/dbraw/zinc/17/56/73/759175673.db2.gz SNZJJZIYMDYPSM-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054109803 759175678 /nfs/dbraw/zinc/17/56/78/759175678.db2.gz SNZJJZIYMDYPSM-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001085429602 759351704 /nfs/dbraw/zinc/35/17/04/759351704.db2.gz YWZJVCHJEMFTNF-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001085429602 759351713 /nfs/dbraw/zinc/35/17/13/759351713.db2.gz YWZJVCHJEMFTNF-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001046761195 767900894 /nfs/dbraw/zinc/90/08/94/767900894.db2.gz RLNXMULJAKCQTM-GOSISDBHSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817359 760298694 /nfs/dbraw/zinc/29/86/94/760298694.db2.gz WEJJCJYYZZWROI-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001085817359 760298699 /nfs/dbraw/zinc/29/86/99/760298699.db2.gz WEJJCJYYZZWROI-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001085855763 760392192 /nfs/dbraw/zinc/39/21/92/760392192.db2.gz INUIQZUDYVKMMM-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001020156696 760633068 /nfs/dbraw/zinc/63/30/68/760633068.db2.gz WSHXMNFEBWPFDJ-BZUAXINKSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038703513 761304305 /nfs/dbraw/zinc/30/43/05/761304305.db2.gz JXQORVRLWLQCEM-QGZVFWFLSA-N 2 1 301.434 1.781 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038703513 761304314 /nfs/dbraw/zinc/30/43/14/761304314.db2.gz JXQORVRLWLQCEM-QGZVFWFLSA-N 2 1 301.434 1.781 20 30 DDEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001038717886 761323651 /nfs/dbraw/zinc/32/36/51/761323651.db2.gz QLVCOTZWMAQLEI-KSZLIROESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001038717886 761323662 /nfs/dbraw/zinc/32/36/62/761323662.db2.gz QLVCOTZWMAQLEI-KSZLIROESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717886 761323672 /nfs/dbraw/zinc/32/36/72/761323672.db2.gz QLVCOTZWMAQLEI-KSZLIROESA-N 2 1 313.445 1.708 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001038717886 761323682 /nfs/dbraw/zinc/32/36/82/761323682.db2.gz QLVCOTZWMAQLEI-KSZLIROESA-N 2 1 313.445 1.708 20 30 DDEDMP CC#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001000162433 761547619 /nfs/dbraw/zinc/54/76/19/761547619.db2.gz WQNFCFUAYCWVHV-NVXWUHKLSA-N 2 1 317.477 1.711 20 30 DDEDMP N#Cc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001038925417 761551676 /nfs/dbraw/zinc/55/16/76/761551676.db2.gz IGIYZBUSUBYULN-KRWDZBQOSA-N 2 1 324.428 1.345 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001038925417 761551683 /nfs/dbraw/zinc/55/16/83/761551683.db2.gz IGIYZBUSUBYULN-KRWDZBQOSA-N 2 1 324.428 1.345 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001041139377 762834301 /nfs/dbraw/zinc/83/43/01/762834301.db2.gz GESGOSBAJPSJCT-GDBMZVCRSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001041139377 762834307 /nfs/dbraw/zinc/83/43/07/762834307.db2.gz GESGOSBAJPSJCT-GDBMZVCRSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041139377 762834313 /nfs/dbraw/zinc/83/43/13/762834313.db2.gz GESGOSBAJPSJCT-GDBMZVCRSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001041139377 762834320 /nfs/dbraw/zinc/83/43/20/762834320.db2.gz GESGOSBAJPSJCT-GDBMZVCRSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001001461645 762883897 /nfs/dbraw/zinc/88/38/97/762883897.db2.gz MNFVUBDTYKPOOB-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001001461645 762883904 /nfs/dbraw/zinc/88/39/04/762883904.db2.gz MNFVUBDTYKPOOB-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001461645 762883907 /nfs/dbraw/zinc/88/39/07/762883907.db2.gz MNFVUBDTYKPOOB-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001001461645 762883915 /nfs/dbraw/zinc/88/39/15/762883915.db2.gz MNFVUBDTYKPOOB-MRXNPFEDSA-N 2 1 307.438 1.032 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001001475489 762897541 /nfs/dbraw/zinc/89/75/41/762897541.db2.gz FVQWHHXXCJFNGX-OAHLLOKOSA-N 2 1 300.406 1.222 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001001475929 762898407 /nfs/dbraw/zinc/89/84/07/762898407.db2.gz HCRMQMUDUVMURL-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364541 762943701 /nfs/dbraw/zinc/94/37/01/762943701.db2.gz WNZFDSWYMXXLSK-WBVHZDCISA-N 2 1 323.481 1.690 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001050048457 763063031 /nfs/dbraw/zinc/06/30/31/763063031.db2.gz ZAIJTZRBGNFJIC-GVDBMIGSSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041510383 763088077 /nfs/dbraw/zinc/08/80/77/763088077.db2.gz WPZRBZKQBYFQAF-HKUYNNGSSA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001041723167 763253630 /nfs/dbraw/zinc/25/36/30/763253630.db2.gz DGVIHVTVARMXAD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723167 763253638 /nfs/dbraw/zinc/25/36/38/763253638.db2.gz DGVIHVTVARMXAD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001041723167 763253647 /nfs/dbraw/zinc/25/36/47/763253647.db2.gz DGVIHVTVARMXAD-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338117 763820273 /nfs/dbraw/zinc/82/02/73/763820273.db2.gz DUQSBFDNFBWQAR-VQFNDLOPSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC001042292110 763868725 /nfs/dbraw/zinc/86/87/25/763868725.db2.gz MJCKQXMKUIIZRK-DOTOQJQBSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001044866849 765861140 /nfs/dbraw/zinc/86/11/40/765861140.db2.gz XVBPKDBGWNSSFH-OCCSQVGLSA-N 2 1 310.829 1.913 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001045438376 766307742 /nfs/dbraw/zinc/30/77/42/766307742.db2.gz RMHRFTNETTYHIM-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045461072 766322870 /nfs/dbraw/zinc/32/28/70/766322870.db2.gz OGPWDDFLHYOJOV-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001045506405 766362174 /nfs/dbraw/zinc/36/21/74/766362174.db2.gz MPSBWNDJKDZTMH-SWKXRBFHSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533446 766383798 /nfs/dbraw/zinc/38/37/98/766383798.db2.gz KNUCPLSOUFEKLT-INIZCTEOSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533446 766383810 /nfs/dbraw/zinc/38/38/10/766383810.db2.gz KNUCPLSOUFEKLT-INIZCTEOSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585865 766421084 /nfs/dbraw/zinc/42/10/84/766421084.db2.gz XIFZCCKHFIQWKE-DLBZAZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC=C(Cl)Cl ZINC001129771320 766999423 /nfs/dbraw/zinc/99/94/23/766999423.db2.gz VUKMVEZDHRRNJS-NSHDSACASA-N 2 1 304.221 1.109 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC=C(Cl)Cl ZINC001129771320 766999429 /nfs/dbraw/zinc/99/94/29/766999429.db2.gz VUKMVEZDHRRNJS-NSHDSACASA-N 2 1 304.221 1.109 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001047439350 768476417 /nfs/dbraw/zinc/47/64/17/768476417.db2.gz DQCKAXUTDFFTNG-ULQDDVLXSA-N 2 1 323.481 1.186 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132360671 768785402 /nfs/dbraw/zinc/78/54/02/768785402.db2.gz UZKOXDBJVQPUOB-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132360671 768785407 /nfs/dbraw/zinc/78/54/07/768785407.db2.gz UZKOXDBJVQPUOB-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132360528 768785659 /nfs/dbraw/zinc/78/56/59/768785659.db2.gz UFMSQFXREYXXLN-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132360528 768785665 /nfs/dbraw/zinc/78/56/65/768785665.db2.gz UFMSQFXREYXXLN-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP COCC#CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437393 768863252 /nfs/dbraw/zinc/86/32/52/768863252.db2.gz TUUGWYUQRCLUPA-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132437393 768863256 /nfs/dbraw/zinc/86/32/56/768863256.db2.gz TUUGWYUQRCLUPA-IRXDYDNUSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485104 768911451 /nfs/dbraw/zinc/91/14/51/768911451.db2.gz CKOCJVHBBKRUQZ-GOEBONIOSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001132485104 768911459 /nfs/dbraw/zinc/91/14/59/768911459.db2.gz CKOCJVHBBKRUQZ-GOEBONIOSA-N 2 1 320.437 1.363 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132518139 768930918 /nfs/dbraw/zinc/93/09/18/768930918.db2.gz IXMGFLYZJOBMAW-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818724 769939436 /nfs/dbraw/zinc/93/94/36/769939436.db2.gz LMZACEQILSKPDO-NCOADZHNSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)C[C@H]2C1 ZINC001048818724 769939441 /nfs/dbraw/zinc/93/94/41/769939441.db2.gz LMZACEQILSKPDO-NCOADZHNSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818724 769939446 /nfs/dbraw/zinc/93/94/46/769939446.db2.gz LMZACEQILSKPDO-NCOADZHNSA-N 2 1 303.450 1.437 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)n3cnc(C)c3)C[C@H]2C1 ZINC001048887903 770052618 /nfs/dbraw/zinc/05/26/18/770052618.db2.gz CPBLJDVRBXHWGW-GASCZTMLSA-N 2 1 302.422 1.503 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888135 770052734 /nfs/dbraw/zinc/05/27/34/770052734.db2.gz IPLYJJOPKNDCSP-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888135 770052746 /nfs/dbraw/zinc/05/27/46/770052746.db2.gz IPLYJJOPKNDCSP-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888135 770052758 /nfs/dbraw/zinc/05/27/58/770052758.db2.gz IPLYJJOPKNDCSP-MHORFTMASA-N 2 1 317.477 1.970 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2C1 ZINC001048918669 770109571 /nfs/dbraw/zinc/10/95/71/770109571.db2.gz CCYXQWZHPYNODG-IYBDPMFKSA-N 2 1 308.385 1.361 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006207 770239540 /nfs/dbraw/zinc/23/95/40/770239540.db2.gz QXJCUPSQYVXHFQ-BBWFWOEESA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006207 770239546 /nfs/dbraw/zinc/23/95/46/770239546.db2.gz QXJCUPSQYVXHFQ-BBWFWOEESA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006207 770239551 /nfs/dbraw/zinc/23/95/51/770239551.db2.gz QXJCUPSQYVXHFQ-BBWFWOEESA-N 2 1 321.465 1.062 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@H]2C1 ZINC001049006207 770239556 /nfs/dbraw/zinc/23/95/56/770239556.db2.gz QXJCUPSQYVXHFQ-BBWFWOEESA-N 2 1 321.465 1.062 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059102 770309397 /nfs/dbraw/zinc/30/93/97/770309397.db2.gz NNDQVIXFFJUNCA-DAYGRLMNSA-N 2 1 323.456 1.775 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059102 770309408 /nfs/dbraw/zinc/30/94/08/770309408.db2.gz NNDQVIXFFJUNCA-DAYGRLMNSA-N 2 1 323.456 1.775 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)C[C@H]2C1 ZINC001049059102 770309415 /nfs/dbraw/zinc/30/94/15/770309415.db2.gz NNDQVIXFFJUNCA-DAYGRLMNSA-N 2 1 323.456 1.775 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001133854153 770340655 /nfs/dbraw/zinc/34/06/55/770340655.db2.gz ZBEFVSKTJVFTRH-AWEZNQCLSA-N 2 1 300.406 1.106 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049171080 770493978 /nfs/dbraw/zinc/49/39/78/770493978.db2.gz JXMSRMCODMQYFX-NCOADZHNSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001049478925 770909138 /nfs/dbraw/zinc/90/91/38/770909138.db2.gz VLULJXVLYMQBKY-KZNAEPCWSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049509290 770947752 /nfs/dbraw/zinc/94/77/52/770947752.db2.gz SKCJIAVUNMUPOT-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509290 770947760 /nfs/dbraw/zinc/94/77/60/770947760.db2.gz SKCJIAVUNMUPOT-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509290 770947766 /nfs/dbraw/zinc/94/77/66/770947766.db2.gz SKCJIAVUNMUPOT-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001049532241 770990284 /nfs/dbraw/zinc/99/02/84/770990284.db2.gz IAGHEQZGTMYEFA-ULQDDVLXSA-N 2 1 305.466 1.661 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671396 771070565 /nfs/dbraw/zinc/07/05/65/771070565.db2.gz LBGZIAJPRSDEGX-LUKYLMHMSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671396 771070567 /nfs/dbraw/zinc/07/05/67/771070567.db2.gz LBGZIAJPRSDEGX-LUKYLMHMSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671396 771070569 /nfs/dbraw/zinc/07/05/69/771070569.db2.gz LBGZIAJPRSDEGX-LUKYLMHMSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688870 771087912 /nfs/dbraw/zinc/08/79/12/771087912.db2.gz XDDUKZIVURCKQX-DLBZAZTESA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001049903835 771247421 /nfs/dbraw/zinc/24/74/21/771247421.db2.gz ZYMCPFHVGDKORI-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001049903835 771247425 /nfs/dbraw/zinc/24/74/25/771247425.db2.gz ZYMCPFHVGDKORI-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090617195 772043413 /nfs/dbraw/zinc/04/34/13/772043413.db2.gz SWFOMPWLBHGUFU-LSDHHAIUSA-N 2 1 320.437 1.134 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](O)C1 ZINC001090617195 772043418 /nfs/dbraw/zinc/04/34/18/772043418.db2.gz SWFOMPWLBHGUFU-LSDHHAIUSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001171248247 772709564 /nfs/dbraw/zinc/70/95/64/772709564.db2.gz RDZBEJRWPDISIM-HOTGVXAUSA-N 2 1 321.469 1.264 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147725125 773213531 /nfs/dbraw/zinc/21/35/31/773213531.db2.gz SZRPPMBSUZUXQC-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001147725764 773214503 /nfs/dbraw/zinc/21/45/03/773214503.db2.gz ZWKQKPINIXJSGY-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627040 773235676 /nfs/dbraw/zinc/23/56/76/773235676.db2.gz AMFKNGBYCFICRD-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627040 773235680 /nfs/dbraw/zinc/23/56/80/773235680.db2.gz AMFKNGBYCFICRD-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627040 773235685 /nfs/dbraw/zinc/23/56/85/773235685.db2.gz AMFKNGBYCFICRD-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073663375 773278690 /nfs/dbraw/zinc/27/86/90/773278690.db2.gz ZPSYMFDYLLIONB-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073663375 773278696 /nfs/dbraw/zinc/27/86/96/773278696.db2.gz ZPSYMFDYLLIONB-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073663375 773278701 /nfs/dbraw/zinc/27/87/01/773278701.db2.gz ZPSYMFDYLLIONB-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073756128 773381403 /nfs/dbraw/zinc/38/14/03/773381403.db2.gz UALHRSXLTMWMQR-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801757 773423547 /nfs/dbraw/zinc/42/35/47/773423547.db2.gz UBWKBWRNKKHLOC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801757 773423553 /nfs/dbraw/zinc/42/35/53/773423553.db2.gz UBWKBWRNKKHLOC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801757 773423558 /nfs/dbraw/zinc/42/35/58/773423558.db2.gz UBWKBWRNKKHLOC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801757 773423561 /nfs/dbraw/zinc/42/35/61/773423561.db2.gz UBWKBWRNKKHLOC-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086909901 773711181 /nfs/dbraw/zinc/71/11/81/773711181.db2.gz HONJLTJHGAXPCY-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092913342 774300799 /nfs/dbraw/zinc/30/07/99/774300799.db2.gz JBSCKWNCZGAAQR-VNQPRFMTSA-N 2 1 316.449 1.624 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001092913342 774300804 /nfs/dbraw/zinc/30/08/04/774300804.db2.gz JBSCKWNCZGAAQR-VNQPRFMTSA-N 2 1 316.449 1.624 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801239 774653900 /nfs/dbraw/zinc/65/39/00/774653900.db2.gz INEILWWEBPNBFD-GDBMZVCRSA-N 2 1 315.417 1.511 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)CC[C@H]21 ZINC001036801239 774653903 /nfs/dbraw/zinc/65/39/03/774653903.db2.gz INEILWWEBPNBFD-GDBMZVCRSA-N 2 1 315.417 1.511 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036809142 774672707 /nfs/dbraw/zinc/67/27/07/774672707.db2.gz FYNGUSRWKFKXCO-SJORKVTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC001093517094 774768052 /nfs/dbraw/zinc/76/80/52/774768052.db2.gz UJDCUERVVKBTOB-QGZVFWFLSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001093517094 774768057 /nfs/dbraw/zinc/76/80/57/774768057.db2.gz UJDCUERVVKBTOB-QGZVFWFLSA-N 2 1 321.465 1.349 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099126566 774852939 /nfs/dbraw/zinc/85/29/39/774852939.db2.gz UMXOFXXXBDDGMQ-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099194197 774893487 /nfs/dbraw/zinc/89/34/87/774893487.db2.gz LSYYNQIHLIKFMF-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001036854883 774943534 /nfs/dbraw/zinc/94/35/34/774943534.db2.gz RVOLRVYLHYVPFJ-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099339979 774952940 /nfs/dbraw/zinc/95/29/40/774952940.db2.gz NCAUGAVYWPADIX-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036871684 775008504 /nfs/dbraw/zinc/00/85/04/775008504.db2.gz ORFMDGLPMLUGBM-IAGOWNOFSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[N@H+](C)CCC ZINC001099554469 775028348 /nfs/dbraw/zinc/02/83/48/775028348.db2.gz ZIZJMGFVZBPVIU-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554469 775028356 /nfs/dbraw/zinc/02/83/56/775028356.db2.gz ZIZJMGFVZBPVIU-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+](C)CCC ZINC001099554469 775028363 /nfs/dbraw/zinc/02/83/63/775028363.db2.gz ZIZJMGFVZBPVIU-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212007 775828511 /nfs/dbraw/zinc/82/85/11/775828511.db2.gz KBQBZIPSXOTQQV-OFLPRAFFSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCCCCC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212007 775828519 /nfs/dbraw/zinc/82/85/19/775828519.db2.gz KBQBZIPSXOTQQV-OFLPRAFFSA-N 2 1 323.481 1.548 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094579719 776055633 /nfs/dbraw/zinc/05/56/33/776055633.db2.gz ZKJLFLRNOSFSMS-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094579719 776055637 /nfs/dbraw/zinc/05/56/37/776055637.db2.gz ZKJLFLRNOSFSMS-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC001094579719 776055640 /nfs/dbraw/zinc/05/56/40/776055640.db2.gz ZKJLFLRNOSFSMS-LZLYRXPVSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001100680709 776433653 /nfs/dbraw/zinc/43/36/53/776433653.db2.gz AEMBWWWWQOFHHF-UHFFFAOYSA-N 2 1 313.873 1.955 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CCN([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001173374354 777157111 /nfs/dbraw/zinc/15/71/11/777157111.db2.gz LHZOIVZZECXFLO-GOSISDBHSA-N 2 1 306.498 1.372 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102012931 777796003 /nfs/dbraw/zinc/79/60/03/777796003.db2.gz BVVYVHKNXXSRAM-BZUAXINKSA-N 2 1 313.461 1.927 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102060960 777844788 /nfs/dbraw/zinc/84/47/88/777844788.db2.gz ZNCJSFUUOWTICD-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102060960 777844796 /nfs/dbraw/zinc/84/47/96/777844796.db2.gz ZNCJSFUUOWTICD-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102060960 777844804 /nfs/dbraw/zinc/84/48/04/777844804.db2.gz ZNCJSFUUOWTICD-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001176072402 778012851 /nfs/dbraw/zinc/01/28/51/778012851.db2.gz SEADFKCZPGSGQD-AWEZNQCLSA-N 2 1 318.396 1.245 20 30 DDEDMP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178535455 779082537 /nfs/dbraw/zinc/08/25/37/779082537.db2.gz JSLBZCXEYCFCJR-DLBZAZTESA-N 2 1 323.481 1.692 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1C ZINC001178890657 779212431 /nfs/dbraw/zinc/21/24/31/779212431.db2.gz JPSGNOURPRUITI-BBWFWOEESA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903567 779549158 /nfs/dbraw/zinc/54/91/58/779549158.db2.gz DPSATRZPZPQFRL-WMZOPIPTSA-N 2 1 314.433 1.576 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001111903567 779549165 /nfs/dbraw/zinc/54/91/65/779549165.db2.gz DPSATRZPZPQFRL-WMZOPIPTSA-N 2 1 314.433 1.576 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC#C)CCCCC1 ZINC001115577639 780246526 /nfs/dbraw/zinc/24/65/26/780246526.db2.gz AYIIAFITBJTYLJ-INIZCTEOSA-N 2 1 301.434 1.126 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC#C)CCCCC1 ZINC001115577639 780246529 /nfs/dbraw/zinc/24/65/29/780246529.db2.gz AYIIAFITBJTYLJ-INIZCTEOSA-N 2 1 301.434 1.126 20 30 DDEDMP C=CCC[NH2+][C@@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267151092 837420007 /nfs/dbraw/zinc/42/00/07/837420007.db2.gz KCKJVOJZBYFSAY-AWEZNQCLSA-N 2 1 313.405 1.941 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267294513 837766284 /nfs/dbraw/zinc/76/62/84/837766284.db2.gz IZYHFOGSRCTIQR-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267294513 837766291 /nfs/dbraw/zinc/76/62/91/837766291.db2.gz IZYHFOGSRCTIQR-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267294513 837766299 /nfs/dbraw/zinc/76/62/99/837766299.db2.gz IZYHFOGSRCTIQR-IXDOHACOSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001267325394 837827521 /nfs/dbraw/zinc/82/75/21/837827521.db2.gz CZTRFTZGMIAJEE-GOSISDBHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001267325394 837827537 /nfs/dbraw/zinc/82/75/37/837827537.db2.gz CZTRFTZGMIAJEE-GOSISDBHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C1CC1 ZINC001267325394 837827547 /nfs/dbraw/zinc/82/75/47/837827547.db2.gz CZTRFTZGMIAJEE-GOSISDBHSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001271796365 844114641 /nfs/dbraw/zinc/11/46/41/844114641.db2.gz BLRWOFUAEQDMLP-SFHVURJKSA-N 2 1 313.445 1.722 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001266499285 836352498 /nfs/dbraw/zinc/35/24/98/836352498.db2.gz WJFDOJJJBULMLP-BBWFWOEESA-N 2 1 323.481 1.450 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001266499285 836352511 /nfs/dbraw/zinc/35/25/11/836352511.db2.gz WJFDOJJJBULMLP-BBWFWOEESA-N 2 1 323.481 1.450 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC=C)C1 ZINC001266792814 836843804 /nfs/dbraw/zinc/84/38/04/836843804.db2.gz DNGJDLULZASCPP-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC=C)C1 ZINC001266792814 836843811 /nfs/dbraw/zinc/84/38/11/836843811.db2.gz DNGJDLULZASCPP-SJORKVTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001266856671 836946511 /nfs/dbraw/zinc/94/65/11/836946511.db2.gz WEXRDRZAHGNSOI-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001272020095 844335368 /nfs/dbraw/zinc/33/53/68/844335368.db2.gz GWABAWKSWZPQKC-MRXNPFEDSA-N 2 1 319.453 1.756 20 30 DDEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001272020095 844335375 /nfs/dbraw/zinc/33/53/75/844335375.db2.gz GWABAWKSWZPQKC-MRXNPFEDSA-N 2 1 319.453 1.756 20 30 DDEDMP C=C(C)C[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001272020095 844335385 /nfs/dbraw/zinc/33/53/85/844335385.db2.gz GWABAWKSWZPQKC-MRXNPFEDSA-N 2 1 319.453 1.756 20 30 DDEDMP C=C(C)C[NH+](C)CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001272020095 844335398 /nfs/dbraw/zinc/33/53/98/844335398.db2.gz GWABAWKSWZPQKC-MRXNPFEDSA-N 2 1 319.453 1.756 20 30 DDEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCCC1 ZINC001267846300 839072340 /nfs/dbraw/zinc/07/23/40/839072340.db2.gz DXLMNFADILIJBJ-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCCC1 ZINC001267846300 839072348 /nfs/dbraw/zinc/07/23/48/839072348.db2.gz DXLMNFADILIJBJ-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP CC#CC[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC001267857215 839085082 /nfs/dbraw/zinc/08/50/82/839085082.db2.gz WKDIFOLGVAEQRO-AEFFLSMTSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267944684 839236844 /nfs/dbraw/zinc/23/68/44/839236844.db2.gz HVTJYRMGSGWVIJ-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001267999133 839350338 /nfs/dbraw/zinc/35/03/38/839350338.db2.gz SJVWHECVANJIAV-ZFWWWQNUSA-N 2 1 304.438 1.672 20 30 DDEDMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001268158055 839769124 /nfs/dbraw/zinc/76/91/24/839769124.db2.gz WVJOJPUZGLSGSC-MRXNPFEDSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001269460752 841659704 /nfs/dbraw/zinc/65/97/04/841659704.db2.gz KNJXWLAIHCJIGT-CABCVRRESA-N 2 1 302.422 1.262 20 30 DDEDMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCCOC)CC1 ZINC001270364169 842516415 /nfs/dbraw/zinc/51/64/15/842516415.db2.gz MZTJCSKQAZGTSH-UHFFFAOYSA-N 2 1 323.481 1.289 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1 ZINC001270757560 842880336 /nfs/dbraw/zinc/88/03/36/842880336.db2.gz PSLNFWXIYWWKNN-HOTGVXAUSA-N 2 1 323.456 1.851 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1 ZINC001270757560 842880342 /nfs/dbraw/zinc/88/03/42/842880342.db2.gz PSLNFWXIYWWKNN-HOTGVXAUSA-N 2 1 323.456 1.851 20 30 DDEDMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001271044489 843159559 /nfs/dbraw/zinc/15/95/59/843159559.db2.gz QIIGZXKOCBJBGI-HNNXBMFYSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001279156531 844931080 /nfs/dbraw/zinc/93/10/80/844931080.db2.gz RUOLXFIZDIXGTD-HNNXBMFYSA-N 2 1 307.482 1.814 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001326987289 861774299 /nfs/dbraw/zinc/77/42/99/861774299.db2.gz BEWMMPWJNQWXDH-NVXWUHKLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)CCCCN2Cc1cnc(C)n1C ZINC001272773006 847406544 /nfs/dbraw/zinc/40/65/44/847406544.db2.gz ZPDQRPRRJHKEFZ-KRWDZBQOSA-N 2 1 302.422 1.872 20 30 DDEDMP C[NH+](C)CC(C)(C)C[N@H+]1CC[C@@]2(CCN(CCCC#N)C2=O)C1 ZINC001272870165 847572001 /nfs/dbraw/zinc/57/20/01/847572001.db2.gz JKBTXSPPIXHZKR-GOSISDBHSA-N 2 1 320.481 1.802 20 30 DDEDMP C#CCN1c2ccccc2[C@@]2(CC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273029007 847810172 /nfs/dbraw/zinc/81/01/72/847810172.db2.gz CTAPVJDAOGEUKK-FQEVSTJZSA-N 2 1 323.440 1.610 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400917 848467053 /nfs/dbraw/zinc/46/70/53/848467053.db2.gz YQYLQJFTZKHMNW-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034400917 848467057 /nfs/dbraw/zinc/46/70/57/848467057.db2.gz YQYLQJFTZKHMNW-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001034400917 848467064 /nfs/dbraw/zinc/46/70/64/848467064.db2.gz YQYLQJFTZKHMNW-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)C[C@@H](NC(=O)CC[N@H+](C)CC)CO2 ZINC001327412539 862152816 /nfs/dbraw/zinc/15/28/16/862152816.db2.gz MRHFVOTVXSLERP-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C[NH+]1CCC([N@@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001273826996 851394302 /nfs/dbraw/zinc/39/43/02/851394302.db2.gz KPPUKDMJOCREHB-KRWDZBQOSA-N 2 1 304.438 1.309 20 30 DDEDMP C[NH+]1CCC([N@H+]2CC[C@@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001273826996 851394309 /nfs/dbraw/zinc/39/43/09/851394309.db2.gz KPPUKDMJOCREHB-KRWDZBQOSA-N 2 1 304.438 1.309 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001274960634 852711725 /nfs/dbraw/zinc/71/17/25/852711725.db2.gz RPDLYTJGODDARF-KRWDZBQOSA-N 2 1 307.482 1.910 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001275159461 852847542 /nfs/dbraw/zinc/84/75/42/852847542.db2.gz CZBFHYFLKJDCQD-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001275159461 852847548 /nfs/dbraw/zinc/84/75/48/852847548.db2.gz CZBFHYFLKJDCQD-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001275159461 852847555 /nfs/dbraw/zinc/84/75/55/852847555.db2.gz CZBFHYFLKJDCQD-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001280758579 853911613 /nfs/dbraw/zinc/91/16/13/853911613.db2.gz CKMXCWAZPCONQP-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001280758579 853911618 /nfs/dbraw/zinc/91/16/18/853911618.db2.gz CKMXCWAZPCONQP-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001072800037 857717994 /nfs/dbraw/zinc/71/79/94/857717994.db2.gz YSPNZKZKRQPKHX-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072800037 857718003 /nfs/dbraw/zinc/71/80/03/857718003.db2.gz YSPNZKZKRQPKHX-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001072800037 857718011 /nfs/dbraw/zinc/71/80/11/857718011.db2.gz YSPNZKZKRQPKHX-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC#CCOC)C1 ZINC001328388369 862943225 /nfs/dbraw/zinc/94/32/25/862943225.db2.gz MXMKYUHXPPHSCS-DLBZAZTESA-N 2 1 323.481 1.243 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)C2)C1 ZINC001072812059 857739594 /nfs/dbraw/zinc/73/95/94/857739594.db2.gz QKNPNVHQUJJSMG-MRXNPFEDSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001328413909 862959487 /nfs/dbraw/zinc/95/94/87/862959487.db2.gz WTTRVODABVVKKY-DZGCQCFKSA-N 2 1 302.422 1.262 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072914144 857880372 /nfs/dbraw/zinc/88/03/72/857880372.db2.gz WWPZYIPVADKDBP-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914144 857880378 /nfs/dbraw/zinc/88/03/78/857880378.db2.gz WWPZYIPVADKDBP-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072914144 857880384 /nfs/dbraw/zinc/88/03/84/857880384.db2.gz WWPZYIPVADKDBP-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001073460716 858355488 /nfs/dbraw/zinc/35/54/88/858355488.db2.gz NDVADITXASFUBF-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC001121779293 858595296 /nfs/dbraw/zinc/59/52/96/858595296.db2.gz YAUOFFMPHALSFH-UHFFFAOYSA-N 2 1 317.477 1.759 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001152439418 863346637 /nfs/dbraw/zinc/34/66/37/863346637.db2.gz LFKYKMAFIZQZLA-UHFFFAOYSA-N 2 1 305.397 1.223 20 30 DDEDMP C=CCOCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329386647 863636112 /nfs/dbraw/zinc/63/61/12/863636112.db2.gz CLCVDMQAMQKCFY-UHFFFAOYSA-N 2 1 307.413 1.870 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCn1ccnc1C ZINC001329940595 863960081 /nfs/dbraw/zinc/96/00/81/863960081.db2.gz YYSCUBCLPVAUCH-KRWDZBQOSA-N 2 1 316.449 1.966 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001329940595 863960092 /nfs/dbraw/zinc/96/00/92/863960092.db2.gz YYSCUBCLPVAUCH-KRWDZBQOSA-N 2 1 316.449 1.966 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001153879535 864190296 /nfs/dbraw/zinc/19/02/96/864190296.db2.gz IJWKCTBSFNRZKY-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001153879535 864190303 /nfs/dbraw/zinc/19/03/03/864190303.db2.gz IJWKCTBSFNRZKY-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001153879535 864190306 /nfs/dbraw/zinc/19/03/06/864190306.db2.gz IJWKCTBSFNRZKY-SJORKVTESA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001330468992 864375352 /nfs/dbraw/zinc/37/53/52/864375352.db2.gz PXTXTZSXCZJRQW-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001330468992 864375371 /nfs/dbraw/zinc/37/53/71/864375371.db2.gz PXTXTZSXCZJRQW-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001330468992 864375392 /nfs/dbraw/zinc/37/53/92/864375392.db2.gz PXTXTZSXCZJRQW-ULQDDVLXSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332901061 866234081 /nfs/dbraw/zinc/23/40/81/866234081.db2.gz XHPUWZAUVXBOKX-GJZGRUSLSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332901061 866234100 /nfs/dbraw/zinc/23/41/00/866234100.db2.gz XHPUWZAUVXBOKX-GJZGRUSLSA-N 2 1 311.470 1.404 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001319775269 866285383 /nfs/dbraw/zinc/28/53/83/866285383.db2.gz SVKFJWVEHSQBKT-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001323049446 866296023 /nfs/dbraw/zinc/29/60/23/866296023.db2.gz YHBKNFZBZAZRJM-IAGOWNOFSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319820753 866315980 /nfs/dbraw/zinc/31/59/80/866315980.db2.gz OYYBKVPMJWHORE-HOTGVXAUSA-N 2 1 307.482 1.814 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC001323445040 866614830 /nfs/dbraw/zinc/61/48/30/866614830.db2.gz WDDSXLQTPOIZSF-HNNXBMFYSA-N 2 1 303.450 1.513 20 30 DDEDMP C=CCOCC[NH+]1CC=C(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001161645336 866832458 /nfs/dbraw/zinc/83/24/58/866832458.db2.gz DBDZIQZQGGQXAL-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP C=CCOCC[N@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645336 866832470 /nfs/dbraw/zinc/83/24/70/866832470.db2.gz DBDZIQZQGGQXAL-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)CC)CC1 ZINC001161645336 866832486 /nfs/dbraw/zinc/83/24/86/866832486.db2.gz DBDZIQZQGGQXAL-UHFFFAOYSA-N 2 1 323.481 1.669 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC001324078345 867054255 /nfs/dbraw/zinc/05/42/55/867054255.db2.gz ZWRNQZOVSXFSLZ-KGLIPLIRSA-N 2 1 320.437 1.895 20 30 DDEDMP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001320820814 867058496 /nfs/dbraw/zinc/05/84/96/867058496.db2.gz RHZCYHVKXGQXRX-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001317136663 870335978 /nfs/dbraw/zinc/33/59/78/870335978.db2.gz CVQRWYUAJMPXSQ-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317377333 870737070 /nfs/dbraw/zinc/73/70/70/870737070.db2.gz CBNPGHNXKPQYHE-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203918747 870831990 /nfs/dbraw/zinc/83/19/90/870831990.db2.gz BWSWLWZCYCZKAD-SFHVURJKSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204875818 871273067 /nfs/dbraw/zinc/27/30/67/871273067.db2.gz FPVFXBNHLWKAOI-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204875818 871273081 /nfs/dbraw/zinc/27/30/81/871273081.db2.gz FPVFXBNHLWKAOI-RDJZCZTQSA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001205271615 871476255 /nfs/dbraw/zinc/47/62/55/871476255.db2.gz PHIXOKQQCIVXKM-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001341381996 871632202 /nfs/dbraw/zinc/63/22/02/871632202.db2.gz WMWDLGYNIXTUQV-INIZCTEOSA-N 2 1 313.445 1.900 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC001342033749 871963200 /nfs/dbraw/zinc/96/32/00/871963200.db2.gz MYYMEVHCFLNXMA-JKSUJKDBSA-N 2 1 311.470 1.629 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC001342033749 871963213 /nfs/dbraw/zinc/96/32/13/871963213.db2.gz MYYMEVHCFLNXMA-JKSUJKDBSA-N 2 1 311.470 1.629 20 30 DDEDMP C=C(Cl)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206281563 872184135 /nfs/dbraw/zinc/18/41/35/872184135.db2.gz MGJOCUMCWPFQHC-DOMZBBRYSA-N 2 1 313.873 1.765 20 30 DDEDMP C#CC[NH2+]C[C@](C)(NC(=O)CCCn1cc[nH+]c1C)C1CC1 ZINC001318727564 872231406 /nfs/dbraw/zinc/23/14/06/872231406.db2.gz JMXLHWIAFBEZIL-KRWDZBQOSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226773737 882642571 /nfs/dbraw/zinc/64/25/71/882642571.db2.gz IURYAJYPFCHRAZ-BZUAXINKSA-N 2 1 314.433 1.801 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207001175 872910850 /nfs/dbraw/zinc/91/08/50/872910850.db2.gz SGWWUESCRWNTNO-QLFBSQMISA-N 2 1 302.422 1.466 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001207001175 872910862 /nfs/dbraw/zinc/91/08/62/872910862.db2.gz SGWWUESCRWNTNO-QLFBSQMISA-N 2 1 302.422 1.466 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001208362152 874060531 /nfs/dbraw/zinc/06/05/31/874060531.db2.gz LGIRXUSMPDCTMA-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209206106 874730953 /nfs/dbraw/zinc/73/09/53/874730953.db2.gz XQQXJNWARXMKFZ-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209640367 875026163 /nfs/dbraw/zinc/02/61/63/875026163.db2.gz BKRRDBPZIPVKFB-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209642039 875029674 /nfs/dbraw/zinc/02/96/74/875029674.db2.gz LITHNRAGNQWLPE-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001227211099 882909524 /nfs/dbraw/zinc/90/95/24/882909524.db2.gz ADCJJBIKMBJIHV-HUUCEWRRSA-N 2 1 318.421 1.390 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213223841 875854189 /nfs/dbraw/zinc/85/41/89/875854189.db2.gz BMXHOWGEWXNFRN-HZPDHXFCSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588708 875987800 /nfs/dbraw/zinc/98/78/00/875987800.db2.gz PSFTZQYFORGJEZ-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@H](OC)C1 ZINC001213588708 875987810 /nfs/dbraw/zinc/98/78/10/875987810.db2.gz PSFTZQYFORGJEZ-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588708 875987826 /nfs/dbraw/zinc/98/78/26/875987826.db2.gz PSFTZQYFORGJEZ-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@H](OC)C1 ZINC001213588708 875987839 /nfs/dbraw/zinc/98/78/39/875987839.db2.gz PSFTZQYFORGJEZ-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215541261 876745633 /nfs/dbraw/zinc/74/56/33/876745633.db2.gz WQKQOXOBSYYASS-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001216845051 877077221 /nfs/dbraw/zinc/07/72/21/877077221.db2.gz VPRGGUPJKSHDDO-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@H]2OCCN(C(=O)CC[N@H+](C)CC)[C@H]2C1 ZINC001218919764 877807423 /nfs/dbraw/zinc/80/74/23/877807423.db2.gz YWFZJRVZTLEQIE-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919764 877807434 /nfs/dbraw/zinc/80/74/34/877807434.db2.gz YWFZJRVZTLEQIE-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)CC)[C@H]2C1 ZINC001218919764 877807441 /nfs/dbraw/zinc/80/74/41/877807441.db2.gz YWFZJRVZTLEQIE-YESZJQIVSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001357346475 879925885 /nfs/dbraw/zinc/92/58/85/879925885.db2.gz KOFRXAMCDTZMTM-KFWWJZLASA-N 2 1 311.470 1.674 20 30 DDEDMP N#Cc1cc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c(F)cc1F ZINC001222105254 880260145 /nfs/dbraw/zinc/26/01/45/880260145.db2.gz XYGJIONKIMVDDS-UHFFFAOYSA-N 2 1 306.360 1.364 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001276829659 880426789 /nfs/dbraw/zinc/42/67/89/880426789.db2.gz JIKPLNMXHVDMSK-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP N#Cc1cccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1Cl ZINC001222502623 880517322 /nfs/dbraw/zinc/51/73/22/880517322.db2.gz OKRCUECFTKIQCQ-GJZGRUSLSA-N 2 1 304.825 1.737 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001223023392 880786095 /nfs/dbraw/zinc/78/60/95/880786095.db2.gz JBKJNROVFGIPBU-CVEARBPZSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223023392 880786107 /nfs/dbraw/zinc/78/61/07/880786107.db2.gz JBKJNROVFGIPBU-CVEARBPZSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223023392 880786119 /nfs/dbraw/zinc/78/61/19/880786119.db2.gz JBKJNROVFGIPBU-CVEARBPZSA-N 2 1 305.466 1.663 20 30 DDEDMP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276858287 880797688 /nfs/dbraw/zinc/79/76/88/880797688.db2.gz DVRDVQCQFRZOLD-RBUKOAKNSA-N 2 1 312.461 1.934 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC[NH+](CC#CCOC)CC1 ZINC001223654351 881046566 /nfs/dbraw/zinc/04/65/66/881046566.db2.gz LTXOPMGWUMYXIO-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001230374220 884454268 /nfs/dbraw/zinc/45/42/68/884454268.db2.gz KVNKSJFJTKFFLU-GOSISDBHSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368218 885562348 /nfs/dbraw/zinc/56/23/48/885562348.db2.gz JIXZKZOIZRBKOU-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001231368218 885562351 /nfs/dbraw/zinc/56/23/51/885562351.db2.gz JIXZKZOIZRBKOU-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001231368218 885562359 /nfs/dbraw/zinc/56/23/59/885562359.db2.gz JIXZKZOIZRBKOU-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001231368218 885562368 /nfs/dbraw/zinc/56/23/68/885562368.db2.gz JIXZKZOIZRBKOU-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH2+]CCN1CC[NH+](Cc2ccc(C(=O)OC)cc2)CC1 ZINC001235810484 888966139 /nfs/dbraw/zinc/96/61/39/888966139.db2.gz PKHYPOAIDZKCGF-UHFFFAOYSA-N 2 1 317.433 1.366 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+][C@H](C(C)C)C1 ZINC001246305411 892529276 /nfs/dbraw/zinc/52/92/76/892529276.db2.gz RDWPOOFJWLXSTQ-JYJNAYRXSA-N 3 1 311.470 1.579 20 30 DDEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H](C)CCCC#N)C[C@H]1C2 ZINC001246856495 892945048 /nfs/dbraw/zinc/94/50/48/892945048.db2.gz DYHBNPDKJDNBOP-SVZOTFJBSA-N 2 1 305.422 1.399 20 30 DDEDMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001278602243 894434468 /nfs/dbraw/zinc/43/44/68/894434468.db2.gz PQAJXFJTDQYQNQ-HOCLYGCPSA-N 2 1 323.400 1.389 20 30 DDEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001278878438 897075083 /nfs/dbraw/zinc/07/50/83/897075083.db2.gz OGKOCFXMPHYJIM-DLBZAZTESA-N 2 1 323.481 1.024 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001278878438 897075091 /nfs/dbraw/zinc/07/50/91/897075091.db2.gz OGKOCFXMPHYJIM-DLBZAZTESA-N 2 1 323.481 1.024 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001278878438 897075102 /nfs/dbraw/zinc/07/51/02/897075102.db2.gz OGKOCFXMPHYJIM-DLBZAZTESA-N 2 1 323.481 1.024 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001367788493 897793195 /nfs/dbraw/zinc/79/31/95/897793195.db2.gz OJIMPHLWPUSSOH-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001367788493 897793201 /nfs/dbraw/zinc/79/32/01/897793201.db2.gz OJIMPHLWPUSSOH-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367788493 897793207 /nfs/dbraw/zinc/79/32/07/897793207.db2.gz OJIMPHLWPUSSOH-PBHICJAKSA-N 2 1 314.433 1.589 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001367856691 898045394 /nfs/dbraw/zinc/04/53/94/898045394.db2.gz NMNXXYXRIAZSCS-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367856691 898045405 /nfs/dbraw/zinc/04/54/05/898045405.db2.gz NMNXXYXRIAZSCS-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367856691 898045420 /nfs/dbraw/zinc/04/54/20/898045420.db2.gz NMNXXYXRIAZSCS-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001264446582 901131236 /nfs/dbraw/zinc/13/12/36/901131236.db2.gz DMNNMWIOFSDFTB-ZWKOTPCHSA-N 2 1 313.445 1.546 20 30 DDEDMP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001264632710 901232991 /nfs/dbraw/zinc/23/29/91/901232991.db2.gz PIBIEBWHYKFUFA-INIZCTEOSA-N 2 1 323.481 1.332 20 30 DDEDMP CC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001264635530 901237485 /nfs/dbraw/zinc/23/74/85/901237485.db2.gz DOYSLGMVRFJYJS-QGZVFWFLSA-N 2 1 323.481 1.027 20 30 DDEDMP CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001264745561 901327704 /nfs/dbraw/zinc/32/77/04/901327704.db2.gz KZMYUMHEGUBOPY-DLBZAZTESA-N 2 1 323.481 1.289 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001264753675 901332273 /nfs/dbraw/zinc/33/22/73/901332273.db2.gz MLWYCQJFAAENQN-HZPDHXFCSA-N 2 1 307.482 1.813 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265615972 902207661 /nfs/dbraw/zinc/20/76/61/902207661.db2.gz SDTAZJRAOXAOKV-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001391715485 902428712 /nfs/dbraw/zinc/42/87/12/902428712.db2.gz DOUCCOPQKOLTTN-KBPBESRZSA-N 2 1 324.856 1.991 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC[C@@H](C)F)CC1 ZINC001265978751 902693928 /nfs/dbraw/zinc/69/39/28/902693928.db2.gz WRVJBAHWXUWNMN-OAHLLOKOSA-N 2 1 311.445 1.518 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3cncn3C)[C@@H]2C1 ZINC001279625021 903360981 /nfs/dbraw/zinc/36/09/81/903360981.db2.gz YKIAMXSZIVSREN-DOTOQJQBSA-N 2 1 316.449 1.852 20 30 DDEDMP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001280357018 903604606 /nfs/dbraw/zinc/60/46/06/903604606.db2.gz RRPXZZGNDXJDMP-QAPCUYQASA-N 2 1 313.445 1.928 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)Cc2cncn2C)C1 ZINC001370779282 903726612 /nfs/dbraw/zinc/72/66/12/903726612.db2.gz GUUCJOSSWQWDLL-CYBMUJFWSA-N 2 1 310.829 1.543 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cncn2C)C1 ZINC001370779282 903726620 /nfs/dbraw/zinc/72/66/20/903726620.db2.gz GUUCJOSSWQWDLL-CYBMUJFWSA-N 2 1 310.829 1.543 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CCC1 ZINC001280524010 903760825 /nfs/dbraw/zinc/76/08/25/903760825.db2.gz YJMUVXFMWIWSKZ-CVEARBPZSA-N 2 1 303.450 1.655 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001281499791 904943501 /nfs/dbraw/zinc/94/35/01/904943501.db2.gz IHLMGFORIIFFGB-KRWDZBQOSA-N 2 1 317.477 1.997 20 30 DDEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001281782316 905215368 /nfs/dbraw/zinc/21/53/68/905215368.db2.gz DQPPDYHHNJIYJD-UHFFFAOYSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001281845330 905260828 /nfs/dbraw/zinc/26/08/28/905260828.db2.gz XYICHWVFSDULDW-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001281845330 905260841 /nfs/dbraw/zinc/26/08/41/905260841.db2.gz XYICHWVFSDULDW-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001281845330 905260856 /nfs/dbraw/zinc/26/08/56/905260856.db2.gz XYICHWVFSDULDW-UHFFFAOYSA-N 2 1 307.482 1.910 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCCC3)[C@@H]2C1 ZINC001282859557 906110935 /nfs/dbraw/zinc/11/09/35/906110935.db2.gz PZVXRVNITYJUCV-OSYLJGHBSA-N 2 1 317.477 1.568 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccc(C#N)cc2)C1 ZINC001376164411 917855177 /nfs/dbraw/zinc/85/51/77/917855177.db2.gz SVYONVKOQVYDIX-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001376164411 917855182 /nfs/dbraw/zinc/85/51/82/917855182.db2.gz SVYONVKOQVYDIX-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001376164411 917855189 /nfs/dbraw/zinc/85/51/89/917855189.db2.gz SVYONVKOQVYDIX-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001376802820 919433255 /nfs/dbraw/zinc/43/32/55/919433255.db2.gz QCWCWVHEERXTJI-LSDHHAIUSA-N 2 1 314.433 1.494 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108575863 353954719 /nfs/dbraw/zinc/95/47/19/353954719.db2.gz YSEWVJCSVIBAMX-OAHLLOKOSA-N 2 1 308.470 1.668 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001120422119 781931457 /nfs/dbraw/zinc/93/14/57/781931457.db2.gz JODWMHMMOCVQBN-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(C#N)CC1 ZINC000590202314 355058219 /nfs/dbraw/zinc/05/82/19/355058219.db2.gz GPSHPQGVFYPBNG-OAHLLOKOSA-N 2 1 306.454 1.555 20 30 DDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736211 355980931 /nfs/dbraw/zinc/98/09/31/355980931.db2.gz JOQIRRIATNHRNQ-XIRDDKMYSA-N 2 1 300.406 1.672 20 30 DDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736211 355980935 /nfs/dbraw/zinc/98/09/35/355980935.db2.gz JOQIRRIATNHRNQ-XIRDDKMYSA-N 2 1 300.406 1.672 20 30 DDEDMP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C2(CCCCC2)C1 ZINC000594437708 356213683 /nfs/dbraw/zinc/21/36/83/356213683.db2.gz DLHARAIIYNHOHB-HNNXBMFYSA-N 2 1 306.454 1.875 20 30 DDEDMP C[NH+](C)CCC[N@H+](C)CCNc1c(C#N)cnc2ccccc21 ZINC000596425198 356875374 /nfs/dbraw/zinc/87/53/74/356875374.db2.gz PZBPIRSSLUGVDH-UHFFFAOYSA-N 2 1 311.433 1.824 20 30 DDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1c(C#N)cnc2ccccc21 ZINC000596425198 356875377 /nfs/dbraw/zinc/87/53/77/356875377.db2.gz PZBPIRSSLUGVDH-UHFFFAOYSA-N 2 1 311.433 1.824 20 30 DDEDMP C[N@@H+](C[C@H](O)COc1ccccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000599300478 357882538 /nfs/dbraw/zinc/88/25/38/357882538.db2.gz ZUVKNFCXADBAHG-RDJZCZTQSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@H](O)COc1ccccc1C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000599300478 357882543 /nfs/dbraw/zinc/88/25/43/357882543.db2.gz ZUVKNFCXADBAHG-RDJZCZTQSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@H](O)COc1ccccc1C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000599300478 357882544 /nfs/dbraw/zinc/88/25/44/357882544.db2.gz ZUVKNFCXADBAHG-RDJZCZTQSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc([N+](=O)[O-])cc1 ZINC000170909898 407551856 /nfs/dbraw/zinc/55/18/56/407551856.db2.gz ABMSLJWBUUFEGC-HNNXBMFYSA-N 2 1 319.409 1.526 20 30 DDEDMP C#CC[N@@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000267304003 407827935 /nfs/dbraw/zinc/82/79/35/407827935.db2.gz LACHABYEHLHVBU-UHFFFAOYSA-N 2 1 313.445 1.854 20 30 DDEDMP C#CC[N@H+](CC)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000267304003 407827941 /nfs/dbraw/zinc/82/79/41/407827941.db2.gz LACHABYEHLHVBU-UHFFFAOYSA-N 2 1 313.445 1.854 20 30 DDEDMP CC(C)CCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273009308 408021464 /nfs/dbraw/zinc/02/14/64/408021464.db2.gz VQCQLGCJSSSUGG-QGZVFWFLSA-N 2 1 318.465 1.704 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)c[nH]1 ZINC000175503185 408148208 /nfs/dbraw/zinc/14/82/08/408148208.db2.gz MJBDUWXZSWTGTF-HNNXBMFYSA-N 2 1 317.437 1.374 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183549141 408437470 /nfs/dbraw/zinc/43/74/70/408437470.db2.gz LLVSYTTYKIGOSZ-UHFFFAOYSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000280801896 408837062 /nfs/dbraw/zinc/83/70/62/408837062.db2.gz HHXNAOSIIJQGPJ-UHFFFAOYSA-N 2 1 306.454 1.588 20 30 DDEDMP C[N@@H+]1C[C@H]2CN(CCC(=O)Nc3sccc3C#N)C[C@H]2C1 ZINC000193597237 163259521 /nfs/dbraw/zinc/25/95/21/163259521.db2.gz YLPXZKZPYRCMLX-BETUJISGSA-N 2 1 304.419 1.442 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3sccc3C#N)C[C@@H]2C1 ZINC000193597237 163259528 /nfs/dbraw/zinc/25/95/28/163259528.db2.gz YLPXZKZPYRCMLX-BETUJISGSA-N 2 1 304.419 1.442 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3sccc3C#N)C[C@@H]2C1 ZINC000193597237 163259530 /nfs/dbraw/zinc/25/95/30/163259530.db2.gz YLPXZKZPYRCMLX-BETUJISGSA-N 2 1 304.419 1.442 20 30 DDEDMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292146084 408989679 /nfs/dbraw/zinc/98/96/79/408989679.db2.gz NAIQKDPCKKINRR-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292146084 408989681 /nfs/dbraw/zinc/98/96/81/408989681.db2.gz NAIQKDPCKKINRR-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)C1 ZINC000292146084 408989683 /nfs/dbraw/zinc/98/96/83/408989683.db2.gz NAIQKDPCKKINRR-SFHVURJKSA-N 2 1 312.417 1.914 20 30 DDEDMP C[C@@H]1Oc2ccccc2[C@@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000288641209 409172374 /nfs/dbraw/zinc/17/23/74/409172374.db2.gz CSDYZJKEZGQZJU-XJKSGUPXSA-N 2 1 318.421 1.135 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000328288448 409930689 /nfs/dbraw/zinc/93/06/89/409930689.db2.gz QWDNRQGWAJNVKZ-AWEZNQCLSA-N 2 1 310.825 1.624 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000328288448 409930694 /nfs/dbraw/zinc/93/06/94/409930694.db2.gz QWDNRQGWAJNVKZ-AWEZNQCLSA-N 2 1 310.825 1.624 20 30 DDEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCC#N)CC2)C[C@@H](C)O1 ZINC000358871535 410536499 /nfs/dbraw/zinc/53/64/99/410536499.db2.gz KLKFWMZXKMXYKR-HZPDHXFCSA-N 2 1 309.454 1.880 20 30 DDEDMP COC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000341895899 411083615 /nfs/dbraw/zinc/08/36/15/411083615.db2.gz MWIJZXWMNMTWSK-ROUUACIJSA-N 2 1 308.466 1.707 20 30 DDEDMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000331244784 411039285 /nfs/dbraw/zinc/03/92/85/411039285.db2.gz ZVKQARQDYNQQAU-ZIAGYGMSSA-N 2 1 314.474 1.018 20 30 DDEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCS[C@@H](C(C)C)C2)C1 ZINC000261685167 222254817 /nfs/dbraw/zinc/25/48/17/222254817.db2.gz DNOLLAMBFSTFCD-HUUCEWRRSA-N 2 1 312.527 1.977 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@](C)(O)c1cccs1 ZINC000261786370 222257785 /nfs/dbraw/zinc/25/77/85/222257785.db2.gz QMDHOKFNHKTGJT-WFASDCNBSA-N 2 1 310.467 1.215 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N(C)Cc1ccon1 ZINC000261848193 222259393 /nfs/dbraw/zinc/25/93/93/222259393.db2.gz XPZBRCKGHAXYLU-AWEZNQCLSA-N 2 1 307.442 1.802 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn2cc(C)ccc2n1 ZINC000264125976 222322672 /nfs/dbraw/zinc/32/26/72/222322672.db2.gz WLYMYVCGLFAYPU-HNNXBMFYSA-N 2 1 314.437 1.531 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)c(O)c(C)c1 ZINC000264134268 222323488 /nfs/dbraw/zinc/32/34/88/222323488.db2.gz ZEKMADBHTUXFQX-HNNXBMFYSA-N 2 1 304.438 1.898 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC3=[NH+]CCN3C)c2)CCO1 ZINC000262667886 222289015 /nfs/dbraw/zinc/28/90/15/222289015.db2.gz PRLFJLABDOFNHR-CQSZACIVSA-N 2 1 302.422 1.298 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC3=[NH+]CCN3C)c2)CCO1 ZINC000262667886 222289019 /nfs/dbraw/zinc/28/90/19/222289019.db2.gz PRLFJLABDOFNHR-CQSZACIVSA-N 2 1 302.422 1.298 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000263206099 222306049 /nfs/dbraw/zinc/30/60/49/222306049.db2.gz YFWJIONFFPVBQY-AWEZNQCLSA-N 2 1 300.410 1.223 20 30 DDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2cncn2c1 ZINC000263206099 222306052 /nfs/dbraw/zinc/30/60/52/222306052.db2.gz YFWJIONFFPVBQY-AWEZNQCLSA-N 2 1 300.410 1.223 20 30 DDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000264114807 222320088 /nfs/dbraw/zinc/32/00/88/222320088.db2.gz SBMIBBBUIUXFCF-UHFFFAOYSA-N 2 1 324.432 1.760 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C)c(OC)c1 ZINC000264125029 222322105 /nfs/dbraw/zinc/32/21/05/222322105.db2.gz WANSUTIDJCVJJC-OAHLLOKOSA-N 2 1 304.438 1.892 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCSCC#N)C2)CC1 ZINC000369837231 418738705 /nfs/dbraw/zinc/73/87/05/418738705.db2.gz ADYRCLIZTIDGJZ-MRXNPFEDSA-N 2 1 310.511 1.734 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000424128990 228231227 /nfs/dbraw/zinc/23/12/27/228231227.db2.gz FUJKZIPKTCSXSA-KRWDZBQOSA-N 2 1 314.433 1.572 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000491678683 421200924 /nfs/dbraw/zinc/20/09/24/421200924.db2.gz BZLCTXAXTHWZLB-QGZVFWFLSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000491678683 421200926 /nfs/dbraw/zinc/20/09/26/421200926.db2.gz BZLCTXAXTHWZLB-QGZVFWFLSA-N 2 1 322.497 1.609 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000491678683 421200928 /nfs/dbraw/zinc/20/09/28/421200928.db2.gz BZLCTXAXTHWZLB-QGZVFWFLSA-N 2 1 322.497 1.609 20 30 DDEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000582125014 422115758 /nfs/dbraw/zinc/11/57/58/422115758.db2.gz CLOQLNMJLXNXJP-QGZVFWFLSA-N 2 1 312.417 1.202 20 30 DDEDMP OC[C@H]1CCCCC[NH+]1CC#CC[N@@H+]1CCCCC[C@@H]1CO ZINC000653784255 423606366 /nfs/dbraw/zinc/60/63/66/423606366.db2.gz KXDZCRYUWMPUGN-QZTJIDSGSA-N 2 1 308.466 1.464 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nn1 ZINC000655939450 424694734 /nfs/dbraw/zinc/69/47/34/424694734.db2.gz HFRAGELPFWNUBO-DLBZAZTESA-N 2 1 319.453 1.573 20 30 DDEDMP C=CC[C@]1(C(=O)N2CC[NH+](C(C)(C)COC)CC2)CCC[NH2+]1 ZINC000662821380 424778976 /nfs/dbraw/zinc/77/89/76/424778976.db2.gz YGVOLIVEDXBPEI-QGZVFWFLSA-N 2 1 309.454 1.254 20 30 DDEDMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1C#N ZINC000423121611 277818776 /nfs/dbraw/zinc/81/87/76/277818776.db2.gz JDRWXERAURNKNM-GVDBMIGSSA-N 2 1 315.417 1.814 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000261599748 279303457 /nfs/dbraw/zinc/30/34/57/279303457.db2.gz AXAXECOTJVXJLL-KLHDSHLOSA-N 2 1 320.481 1.723 20 30 DDEDMP C[C@@H]1CN(CC#CCN2C[C@H](C)[N@H+](C)C[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000341921700 288135881 /nfs/dbraw/zinc/13/58/81/288135881.db2.gz MLCMVDSEQARHPS-MHORFTMASA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1CN(CC#CCN2C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@H+]1C ZINC000341921700 288135882 /nfs/dbraw/zinc/13/58/82/288135882.db2.gz MLCMVDSEQARHPS-MHORFTMASA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1CN(CC#CCN2C[C@H](C)[NH+](C)C[C@@H]2C)[C@@H](C)C[N@@H+]1C ZINC000341921700 288135884 /nfs/dbraw/zinc/13/58/84/288135884.db2.gz MLCMVDSEQARHPS-MHORFTMASA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000264078241 289395156 /nfs/dbraw/zinc/39/51/56/289395156.db2.gz GLPLUNKQYFZCPG-CQSZACIVSA-N 2 1 302.422 1.080 20 30 DDEDMP C[C@H](CNC(=[NH2+])N1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000264078241 289395160 /nfs/dbraw/zinc/39/51/60/289395160.db2.gz GLPLUNKQYFZCPG-CQSZACIVSA-N 2 1 302.422 1.080 20 30 DDEDMP CC[NH+]1CCCN(CC#CCN2CCC[N@H+](CC)CC2)CC1 ZINC000375387870 337009966 /nfs/dbraw/zinc/00/99/66/337009966.db2.gz OOLAWTBNMHUUCH-UHFFFAOYSA-N 2 1 306.498 1.045 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000491818399 526810582 /nfs/dbraw/zinc/81/05/82/526810582.db2.gz YHXWUOIPBSQQIT-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000491818399 526810587 /nfs/dbraw/zinc/81/05/87/526810587.db2.gz YHXWUOIPBSQQIT-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000491818399 526810591 /nfs/dbraw/zinc/81/05/91/526810591.db2.gz YHXWUOIPBSQQIT-HZPDHXFCSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000491666376 526819791 /nfs/dbraw/zinc/81/97/91/526819791.db2.gz VYWSDNSDLAPLLX-KRWDZBQOSA-N 2 1 316.449 1.721 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000491371478 526826417 /nfs/dbraw/zinc/82/64/17/526826417.db2.gz FGACKIPDLZDCHY-CQSZACIVSA-N 2 1 309.454 1.787 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000491371478 526826422 /nfs/dbraw/zinc/82/64/22/526826422.db2.gz FGACKIPDLZDCHY-CQSZACIVSA-N 2 1 309.454 1.787 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000491165758 526987290 /nfs/dbraw/zinc/98/72/90/526987290.db2.gz NCENBOHVAFGIHB-CQSZACIVSA-N 2 1 310.401 1.971 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980239300 696716377 /nfs/dbraw/zinc/71/63/77/696716377.db2.gz MUNPUKYCUOYRSR-GVDBMIGSSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000971681582 695061685 /nfs/dbraw/zinc/06/16/85/695061685.db2.gz FFNYYNYRKIUBNI-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000971681582 695061687 /nfs/dbraw/zinc/06/16/87/695061687.db2.gz FFNYYNYRKIUBNI-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000971681582 695061691 /nfs/dbraw/zinc/06/16/91/695061691.db2.gz FFNYYNYRKIUBNI-IAGOWNOFSA-N 2 1 303.450 1.559 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000971789909 695093367 /nfs/dbraw/zinc/09/33/67/695093367.db2.gz TUGHEYMEEJHNFV-HNNXBMFYSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577906 695689056 /nfs/dbraw/zinc/68/90/56/695689056.db2.gz OTLNRPSLICDBRA-HOTGVXAUSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974980147 695772411 /nfs/dbraw/zinc/77/24/11/695772411.db2.gz VSICMHKNDNBLKE-OAHLLOKOSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000974980147 695772412 /nfs/dbraw/zinc/77/24/12/695772412.db2.gz VSICMHKNDNBLKE-OAHLLOKOSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C)CC2(C)C)CC1 ZINC000977655422 696246187 /nfs/dbraw/zinc/24/61/87/696246187.db2.gz OLAVWMBXEMMAAP-MRXNPFEDSA-N 2 1 303.450 1.344 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3sccc3C[NH+](C)C)[C@@H]2C1 ZINC000978220410 696344352 /nfs/dbraw/zinc/34/43/52/696344352.db2.gz GFRXMURTZVAHGA-QKDCVEJESA-N 2 1 319.474 1.903 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(=C)C)C[C@H]21 ZINC000978280610 696357416 /nfs/dbraw/zinc/35/74/16/696357416.db2.gz JQKUAXGLLVHMOI-FJIDUMEYSA-N 2 1 315.461 1.344 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(=C)C)C[C@H]21 ZINC000978280610 696357417 /nfs/dbraw/zinc/35/74/17/696357417.db2.gz JQKUAXGLLVHMOI-FJIDUMEYSA-N 2 1 315.461 1.344 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC(=C)C)C[C@H]21 ZINC000978280610 696357421 /nfs/dbraw/zinc/35/74/21/696357421.db2.gz JQKUAXGLLVHMOI-FJIDUMEYSA-N 2 1 315.461 1.344 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCC(=C)C)C[C@H]21 ZINC000978280610 696357423 /nfs/dbraw/zinc/35/74/23/696357423.db2.gz JQKUAXGLLVHMOI-FJIDUMEYSA-N 2 1 315.461 1.344 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)[C@@H]2C1 ZINC000978400521 696376533 /nfs/dbraw/zinc/37/65/33/696376533.db2.gz MOABDHZKMLPGRR-OSYLJGHBSA-N 2 1 317.477 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](C(C)C)C[C@H]32)CC1 ZINC000979090349 696493924 /nfs/dbraw/zinc/49/39/24/696493924.db2.gz PIESLHLTCQXCJR-OSYLJGHBSA-N 2 1 303.450 1.034 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138665 696690213 /nfs/dbraw/zinc/69/02/13/696690213.db2.gz DKBQTVIEFFOTDJ-ULQDDVLXSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138665 696690216 /nfs/dbraw/zinc/69/02/16/696690216.db2.gz DKBQTVIEFFOTDJ-ULQDDVLXSA-N 2 1 316.449 1.984 20 30 DDEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000981665752 696865409 /nfs/dbraw/zinc/86/54/09/696865409.db2.gz FYCFNFBXXGIINP-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000981665752 696865411 /nfs/dbraw/zinc/86/54/11/696865411.db2.gz FYCFNFBXXGIINP-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981665752 696865414 /nfs/dbraw/zinc/86/54/14/696865414.db2.gz FYCFNFBXXGIINP-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC000981665752 696865417 /nfs/dbraw/zinc/86/54/17/696865417.db2.gz FYCFNFBXXGIINP-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981834466 696937422 /nfs/dbraw/zinc/93/74/22/696937422.db2.gz ZRMMMQSZINCKPP-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000981834466 696937426 /nfs/dbraw/zinc/93/74/26/696937426.db2.gz ZRMMMQSZINCKPP-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC000982115841 697033949 /nfs/dbraw/zinc/03/39/49/697033949.db2.gz CVSWCJQSMMBDNQ-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982120376 697035249 /nfs/dbraw/zinc/03/52/49/697035249.db2.gz UOKWQGWSUBZHRQ-UHFFFAOYSA-N 2 1 312.417 1.319 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC000982120376 697035251 /nfs/dbraw/zinc/03/52/51/697035251.db2.gz UOKWQGWSUBZHRQ-UHFFFAOYSA-N 2 1 312.417 1.319 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC000982152732 697043794 /nfs/dbraw/zinc/04/37/94/697043794.db2.gz XWUSWZMTENFHHZ-UHFFFAOYSA-N 2 1 305.466 1.973 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C[C@@H](C)CC)CC1 ZINC000981361280 697075674 /nfs/dbraw/zinc/07/56/74/697075674.db2.gz CMFFLCJBSRODBR-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC000981361280 697075676 /nfs/dbraw/zinc/07/56/76/697075676.db2.gz CMFFLCJBSRODBR-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC)CC1 ZINC000981361280 697075678 /nfs/dbraw/zinc/07/56/78/697075678.db2.gz CMFFLCJBSRODBR-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C[C@@H](C)CC)CC1 ZINC000981361280 697075681 /nfs/dbraw/zinc/07/56/81/697075681.db2.gz CMFFLCJBSRODBR-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292756 697085555 /nfs/dbraw/zinc/08/55/55/697085555.db2.gz WHTLIPRNGJPKOA-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292756 697085557 /nfs/dbraw/zinc/08/55/57/697085557.db2.gz WHTLIPRNGJPKOA-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292756 697085558 /nfs/dbraw/zinc/08/55/58/697085558.db2.gz WHTLIPRNGJPKOA-YTQUADARSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000985472085 697516872 /nfs/dbraw/zinc/51/68/72/697516872.db2.gz ZJWHHNXHOVLYNX-GOSISDBHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000985472085 697516874 /nfs/dbraw/zinc/51/68/74/697516874.db2.gz ZJWHHNXHOVLYNX-GOSISDBHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000985472085 697516876 /nfs/dbraw/zinc/51/68/76/697516876.db2.gz ZJWHHNXHOVLYNX-GOSISDBHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985652683 697550338 /nfs/dbraw/zinc/55/03/38/697550338.db2.gz GTDVOPBVTOGSOG-OAHLLOKOSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985652683 697550339 /nfs/dbraw/zinc/55/03/39/697550339.db2.gz GTDVOPBVTOGSOG-OAHLLOKOSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC000986571419 697841406 /nfs/dbraw/zinc/84/14/06/697841406.db2.gz WDULWCZOEGVRFQ-GJZGRUSLSA-N 2 1 316.449 1.917 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(F)cc2C#N)C1 ZINC000779653285 698449212 /nfs/dbraw/zinc/44/92/12/698449212.db2.gz WPULINBYDRDFBZ-OAHLLOKOSA-N 2 1 320.368 1.805 20 30 DDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(F)cc2C#N)C1 ZINC000779653285 698449213 /nfs/dbraw/zinc/44/92/13/698449213.db2.gz WPULINBYDRDFBZ-OAHLLOKOSA-N 2 1 320.368 1.805 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1 ZINC000305632971 698646826 /nfs/dbraw/zinc/64/68/26/698646826.db2.gz ABUHYXAEFQPNMM-NVXWUHKLSA-N 2 1 322.428 1.422 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991063542 699219598 /nfs/dbraw/zinc/21/95/98/699219598.db2.gz BFMXBSWFOGNUQU-HDMKZQKVSA-N 2 1 312.417 1.507 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991063542 699219600 /nfs/dbraw/zinc/21/96/00/699219600.db2.gz BFMXBSWFOGNUQU-HDMKZQKVSA-N 2 1 312.417 1.507 20 30 DDEDMP C[C@H](C#N)OCC[N@H+](C)[C@H]1CCC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801936645 700357981 /nfs/dbraw/zinc/35/79/81/700357981.db2.gz UXVHUZCFHFVBNL-ZACQAIPSSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801936645 700357984 /nfs/dbraw/zinc/35/79/84/700357984.db2.gz UXVHUZCFHFVBNL-ZACQAIPSSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[NH+](C)[C@H]1CCC[N@H+](CCO[C@H](C)C#N)CC1 ZINC000801936645 700357987 /nfs/dbraw/zinc/35/79/87/700357987.db2.gz UXVHUZCFHFVBNL-ZACQAIPSSA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[NH+](C)[C@H]1CCC[N@@H+](CCO[C@H](C)C#N)CC1 ZINC000801936645 700357990 /nfs/dbraw/zinc/35/79/90/700357990.db2.gz UXVHUZCFHFVBNL-ZACQAIPSSA-N 2 1 322.453 1.630 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000764521309 700975061 /nfs/dbraw/zinc/97/50/61/700975061.db2.gz FDNKNIIKXXAIBD-GDBMZVCRSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000843825862 702930146 /nfs/dbraw/zinc/93/01/46/702930146.db2.gz ANKHKROCHXLADY-QGZVFWFLSA-N 2 1 301.434 1.837 20 30 DDEDMP C#C[C@@H](CCC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000820640702 704313837 /nfs/dbraw/zinc/31/38/37/704313837.db2.gz PWYHEPQONIJOFZ-DLBZAZTESA-N 2 1 322.497 1.846 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000877022642 705962523 /nfs/dbraw/zinc/96/25/23/705962523.db2.gz OXKGROCUXOMACG-OWCLPIDISA-N 2 1 307.438 1.538 20 30 DDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000877022642 705962525 /nfs/dbraw/zinc/96/25/25/705962525.db2.gz OXKGROCUXOMACG-OWCLPIDISA-N 2 1 307.438 1.538 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000884057211 708120528 /nfs/dbraw/zinc/12/05/28/708120528.db2.gz YRBKZEBWSZMYFU-ULQDDVLXSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000884057211 708120532 /nfs/dbraw/zinc/12/05/32/708120532.db2.gz YRBKZEBWSZMYFU-ULQDDVLXSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000884057211 708120535 /nfs/dbraw/zinc/12/05/35/708120535.db2.gz YRBKZEBWSZMYFU-ULQDDVLXSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000884057211 708120561 /nfs/dbraw/zinc/12/05/61/708120561.db2.gz YRBKZEBWSZMYFU-ULQDDVLXSA-N 2 1 320.481 1.646 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000909397617 713008058 /nfs/dbraw/zinc/00/80/58/713008058.db2.gz XFNKBMVEWLELAE-UHFFFAOYSA-N 2 1 310.486 1.027 20 30 DDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)CC1(C#N)CCC1 ZINC000886080861 708694644 /nfs/dbraw/zinc/69/46/44/708694644.db2.gz GPMICMUYTXRGFK-TWMKSMIVSA-N 2 1 321.465 1.615 20 30 DDEDMP C#CCN(C(=O)CCCn1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000886582542 708782465 /nfs/dbraw/zinc/78/24/65/708782465.db2.gz YORNRADGZSPQHI-UHFFFAOYSA-N 2 1 302.422 1.528 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+]2CCC)C1 ZINC000889032872 709436737 /nfs/dbraw/zinc/43/67/37/709436737.db2.gz XUOUYJJSHXGTEF-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+]2CCC)C1 ZINC000889032872 709436739 /nfs/dbraw/zinc/43/67/39/709436739.db2.gz XUOUYJJSHXGTEF-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCC)C1 ZINC000889032872 709436741 /nfs/dbraw/zinc/43/67/41/709436741.db2.gz XUOUYJJSHXGTEF-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCC)C1 ZINC000889032872 709436742 /nfs/dbraw/zinc/43/67/42/709436742.db2.gz XUOUYJJSHXGTEF-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000890363458 709836694 /nfs/dbraw/zinc/83/66/94/709836694.db2.gz PCARUYOUBLAXCE-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H](C)CC)CC2)C1 ZINC000890363458 709836698 /nfs/dbraw/zinc/83/66/98/709836698.db2.gz PCARUYOUBLAXCE-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000892852259 710512839 /nfs/dbraw/zinc/51/28/39/710512839.db2.gz YPPHPCFMVWSXSC-OAHLLOKOSA-N 2 1 308.470 1.810 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000928655575 713253971 /nfs/dbraw/zinc/25/39/71/713253971.db2.gz ZOBDDKXBTMFMHB-KRWDZBQOSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000963830712 717919782 /nfs/dbraw/zinc/91/97/82/717919782.db2.gz SKIMAUHTWMYORY-YVXVDGILSA-N 2 1 319.449 1.053 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000921382838 713750234 /nfs/dbraw/zinc/75/02/34/713750234.db2.gz KRXUIVPKPHUROO-HIFRSBDPSA-N 2 1 304.438 1.008 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432664 714095725 /nfs/dbraw/zinc/09/57/25/714095725.db2.gz ZAGHELKHQPBBFA-LJIGWXMPSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432664 714095726 /nfs/dbraw/zinc/09/57/26/714095726.db2.gz ZAGHELKHQPBBFA-LJIGWXMPSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432664 714095728 /nfs/dbraw/zinc/09/57/28/714095728.db2.gz ZAGHELKHQPBBFA-LJIGWXMPSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432664 714095730 /nfs/dbraw/zinc/09/57/30/714095730.db2.gz ZAGHELKHQPBBFA-LJIGWXMPSA-N 2 1 306.454 1.313 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432664 714095731 /nfs/dbraw/zinc/09/57/31/714095731.db2.gz ZAGHELKHQPBBFA-LJIGWXMPSA-N 2 1 306.454 1.313 20 30 DDEDMP C=CCCC[N@H+](CC)CC(=O)NCC(C)(C)N1CCOCC1 ZINC000934645856 714870010 /nfs/dbraw/zinc/87/00/10/714870010.db2.gz KBISFZOPMSTVAO-UHFFFAOYSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957516789 715937154 /nfs/dbraw/zinc/93/71/54/715937154.db2.gz CQQXZWPXVUCNRS-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000960005048 716385357 /nfs/dbraw/zinc/38/53/57/716385357.db2.gz UICHBDFXPCRHPA-FIDHJVLJSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000960005048 716385360 /nfs/dbraw/zinc/38/53/60/716385360.db2.gz UICHBDFXPCRHPA-FIDHJVLJSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000960005048 716385362 /nfs/dbraw/zinc/38/53/62/716385362.db2.gz UICHBDFXPCRHPA-FIDHJVLJSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C[NH+](C)C ZINC000960152688 716433790 /nfs/dbraw/zinc/43/37/90/716433790.db2.gz XCFDRDQLWYZYPA-WDNDVIMCSA-N 2 1 303.431 1.103 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC000960289015 716481026 /nfs/dbraw/zinc/48/10/26/716481026.db2.gz RZFHSNDUPGGENU-SJLPKXTDSA-N 2 1 310.401 1.749 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842438 716985935 /nfs/dbraw/zinc/98/59/35/716985935.db2.gz GUZBVRFGZNBKNT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842438 716985939 /nfs/dbraw/zinc/98/59/39/716985939.db2.gz GUZBVRFGZNBKNT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842438 716985942 /nfs/dbraw/zinc/98/59/42/716985942.db2.gz GUZBVRFGZNBKNT-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980144 717059153 /nfs/dbraw/zinc/05/91/53/717059153.db2.gz OIDRKEDRTZOTCR-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980144 717059157 /nfs/dbraw/zinc/05/91/57/717059157.db2.gz OIDRKEDRTZOTCR-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980144 717059160 /nfs/dbraw/zinc/05/91/60/717059160.db2.gz OIDRKEDRTZOTCR-YESZJQIVSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000941169106 717120814 /nfs/dbraw/zinc/12/08/14/717120814.db2.gz IXPDWRXZKZKCPL-INIZCTEOSA-N 2 1 314.433 1.611 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961761292 717197301 /nfs/dbraw/zinc/19/73/01/717197301.db2.gz BFYWCEVYCSVTRE-XJIUQZFPSA-N 2 1 309.429 1.431 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961761292 717197302 /nfs/dbraw/zinc/19/73/02/717197302.db2.gz BFYWCEVYCSVTRE-XJIUQZFPSA-N 2 1 309.429 1.431 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961761292 717197306 /nfs/dbraw/zinc/19/73/06/717197306.db2.gz BFYWCEVYCSVTRE-XJIUQZFPSA-N 2 1 309.429 1.431 20 30 DDEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000961765085 717199222 /nfs/dbraw/zinc/19/92/22/717199222.db2.gz PQBKOKZHTXCKDB-BORJPKMPSA-N 2 1 321.440 1.269 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961765085 717199224 /nfs/dbraw/zinc/19/92/24/717199224.db2.gz PQBKOKZHTXCKDB-BORJPKMPSA-N 2 1 321.440 1.269 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000961765085 717199228 /nfs/dbraw/zinc/19/92/28/717199228.db2.gz PQBKOKZHTXCKDB-BORJPKMPSA-N 2 1 321.440 1.269 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520212 717715824 /nfs/dbraw/zinc/71/58/24/717715824.db2.gz BOCBTUQDOFILIK-LSDHHAIUSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC000942520212 717715828 /nfs/dbraw/zinc/71/58/28/717715828.db2.gz BOCBTUQDOFILIK-LSDHHAIUSA-N 2 1 316.449 1.775 20 30 DDEDMP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000963386314 717771732 /nfs/dbraw/zinc/77/17/32/717771732.db2.gz UTNCXDSUZOSPGR-JCYILVPMSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645059 718864106 /nfs/dbraw/zinc/86/41/06/718864106.db2.gz OKRYDQRBUPOGKO-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC[C@@H]2C1 ZINC000946645059 718864108 /nfs/dbraw/zinc/86/41/08/718864108.db2.gz OKRYDQRBUPOGKO-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC[C@@H]2C1 ZINC000946645059 718864111 /nfs/dbraw/zinc/86/41/11/718864111.db2.gz OKRYDQRBUPOGKO-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779087 718906326 /nfs/dbraw/zinc/90/63/26/718906326.db2.gz FULSBQUQSRKFFT-ZJPYXAASSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779087 718906329 /nfs/dbraw/zinc/90/63/29/718906329.db2.gz FULSBQUQSRKFFT-ZJPYXAASSA-N 2 1 317.477 1.378 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779087 718906330 /nfs/dbraw/zinc/90/63/30/718906330.db2.gz FULSBQUQSRKFFT-ZJPYXAASSA-N 2 1 317.477 1.378 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c(n2)CCCC3)C[C@@H]1C ZINC000947333478 719125485 /nfs/dbraw/zinc/12/54/85/719125485.db2.gz FNXFQBQELPAINS-GJZGRUSLSA-N 2 1 314.433 1.364 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551196 719208388 /nfs/dbraw/zinc/20/83/88/719208388.db2.gz GUFMFCODYJYSTH-GOEBONIOSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725892 719254836 /nfs/dbraw/zinc/25/48/36/719254836.db2.gz FLOZPQZYRMHKSN-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725892 719254837 /nfs/dbraw/zinc/25/48/37/719254837.db2.gz FLOZPQZYRMHKSN-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000947725892 719254839 /nfs/dbraw/zinc/25/48/39/719254839.db2.gz FLOZPQZYRMHKSN-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947883230 719297655 /nfs/dbraw/zinc/29/76/55/719297655.db2.gz ZSYQHRMVXPACIC-NVXWUHKLSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000948364749 719468823 /nfs/dbraw/zinc/46/88/23/719468823.db2.gz JFOVDZPJFICVQX-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364749 719468825 /nfs/dbraw/zinc/46/88/25/719468825.db2.gz JFOVDZPJFICVQX-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000948364749 719468829 /nfs/dbraw/zinc/46/88/29/719468829.db2.gz JFOVDZPJFICVQX-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439925 719499485 /nfs/dbraw/zinc/49/94/85/719499485.db2.gz WVZOPTNBNGABQS-JKSUJKDBSA-N 2 1 314.433 1.707 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000948439925 719499488 /nfs/dbraw/zinc/49/94/88/719499488.db2.gz WVZOPTNBNGABQS-JKSUJKDBSA-N 2 1 314.433 1.707 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948776066 719701324 /nfs/dbraw/zinc/70/13/24/719701324.db2.gz YNADNZLKMLTIIV-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948776066 719701327 /nfs/dbraw/zinc/70/13/27/719701327.db2.gz YNADNZLKMLTIIV-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948776066 719701329 /nfs/dbraw/zinc/70/13/29/719701329.db2.gz YNADNZLKMLTIIV-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934258 719884162 /nfs/dbraw/zinc/88/41/62/719884162.db2.gz RAGQALASMBWTSQ-KRWDZBQOSA-N 2 1 317.477 1.999 20 30 DDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC000949244626 719972049 /nfs/dbraw/zinc/97/20/49/719972049.db2.gz REJANTNCPSBNAI-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969866701 720540684 /nfs/dbraw/zinc/54/06/84/720540684.db2.gz ZFGOFBMBCVGLIP-YOEHRIQHSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CC2CCC2)C1 ZINC000969866701 720540686 /nfs/dbraw/zinc/54/06/86/720540686.db2.gz ZFGOFBMBCVGLIP-YOEHRIQHSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000950505723 720662241 /nfs/dbraw/zinc/66/22/41/720662241.db2.gz KHTOMDPMKPSCIT-KRWDZBQOSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000950505723 720662243 /nfs/dbraw/zinc/66/22/43/720662243.db2.gz KHTOMDPMKPSCIT-KRWDZBQOSA-N 2 1 311.445 1.919 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970719856 720907679 /nfs/dbraw/zinc/90/76/79/720907679.db2.gz WGMDZIDDLFCICN-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC000970719856 720907685 /nfs/dbraw/zinc/90/76/85/720907685.db2.gz WGMDZIDDLFCICN-NVXWUHKLSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001023760401 735449021 /nfs/dbraw/zinc/44/90/21/735449021.db2.gz VHXBYTBDWGDPDP-KRWDZBQOSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664118 733416846 /nfs/dbraw/zinc/41/68/46/733416846.db2.gz FSWJWSRSULTHRS-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001021717018 733480323 /nfs/dbraw/zinc/48/03/23/733480323.db2.gz NQCMYIOSKAKFOM-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121134209 782372420 /nfs/dbraw/zinc/37/24/20/782372420.db2.gz YDBBFWDLMCWWLL-ZHIXCNEBSA-N 2 1 303.450 1.367 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001114988366 734360114 /nfs/dbraw/zinc/36/01/14/734360114.db2.gz DMKQEOMOIRUEIY-HZMVEIRTSA-N 2 1 305.466 1.423 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001022197032 734430604 /nfs/dbraw/zinc/43/06/04/734430604.db2.gz XJEWNEOXBPDTBX-IJEWVQPXSA-N 2 1 307.438 1.053 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414284 735220291 /nfs/dbraw/zinc/22/02/91/735220291.db2.gz PQEBRRDZKYQQNC-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414284 735220292 /nfs/dbraw/zinc/22/02/92/735220292.db2.gz PQEBRRDZKYQQNC-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414284 735220295 /nfs/dbraw/zinc/22/02/95/735220295.db2.gz PQEBRRDZKYQQNC-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001023414286 735220335 /nfs/dbraw/zinc/22/03/35/735220335.db2.gz PQEBRRDZKYQQNC-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001023414286 735220337 /nfs/dbraw/zinc/22/03/37/735220337.db2.gz PQEBRRDZKYQQNC-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001023414286 735220339 /nfs/dbraw/zinc/22/03/39/735220339.db2.gz PQEBRRDZKYQQNC-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001024501625 735881111 /nfs/dbraw/zinc/88/11/11/735881111.db2.gz GFWAPJAPADEOAR-QGZVFWFLSA-N 2 1 317.477 1.856 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001028253535 739236651 /nfs/dbraw/zinc/23/66/51/739236651.db2.gz CQBXLTZOOVVKMJ-QGZVFWFLSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCN1CCCC[C@H]1CNC(=O)c1occc1CN(C)C ZINC001024623758 735989046 /nfs/dbraw/zinc/98/90/46/735989046.db2.gz HSKAXMFRTVHACC-HNNXBMFYSA-N 2 1 303.406 1.559 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001027985681 738910683 /nfs/dbraw/zinc/91/06/83/738910683.db2.gz MZTSTAJLSXYOJQ-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647387 735999819 /nfs/dbraw/zinc/99/98/19/735999819.db2.gz MMWLVLPQIGWCOP-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001024647387 735999820 /nfs/dbraw/zinc/99/98/20/735999820.db2.gz MMWLVLPQIGWCOP-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025598736 736778341 /nfs/dbraw/zinc/77/83/41/736778341.db2.gz BMQRKBFESLLEGK-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC001025630597 736796858 /nfs/dbraw/zinc/79/68/58/736796858.db2.gz UOGCLVHEECFZBN-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025782091 736851838 /nfs/dbraw/zinc/85/18/38/736851838.db2.gz ZEEHEWIAUPDFFD-RFBLXINOSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025782091 736851840 /nfs/dbraw/zinc/85/18/40/736851840.db2.gz ZEEHEWIAUPDFFD-RFBLXINOSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025782091 736851842 /nfs/dbraw/zinc/85/18/42/736851842.db2.gz ZEEHEWIAUPDFFD-RFBLXINOSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025782091 736851843 /nfs/dbraw/zinc/85/18/43/736851843.db2.gz ZEEHEWIAUPDFFD-RFBLXINOSA-N 2 1 323.868 1.660 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026139817 737139967 /nfs/dbraw/zinc/13/99/67/737139967.db2.gz URQWIDXDDZNVQQ-ALYAQQCSSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008764892 738024992 /nfs/dbraw/zinc/02/49/92/738024992.db2.gz DLOMQDBOHDYRCS-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008764892 738024996 /nfs/dbraw/zinc/02/49/96/738024996.db2.gz DLOMQDBOHDYRCS-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008764892 738024999 /nfs/dbraw/zinc/02/49/99/738024999.db2.gz DLOMQDBOHDYRCS-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001027465323 738317558 /nfs/dbraw/zinc/31/75/58/738317558.db2.gz VFLXRGMXWXTRKP-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001027465323 738317559 /nfs/dbraw/zinc/31/75/59/738317559.db2.gz VFLXRGMXWXTRKP-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465323 738317563 /nfs/dbraw/zinc/31/75/63/738317563.db2.gz VFLXRGMXWXTRKP-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001027465323 738317566 /nfs/dbraw/zinc/31/75/66/738317566.db2.gz VFLXRGMXWXTRKP-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001027468290 738321710 /nfs/dbraw/zinc/32/17/10/738321710.db2.gz AXSFMRWIPOHHSQ-HUUCEWRRSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027468290 738321715 /nfs/dbraw/zinc/32/17/15/738321715.db2.gz AXSFMRWIPOHHSQ-HUUCEWRRSA-N 2 1 316.449 1.932 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001027468290 738321719 /nfs/dbraw/zinc/32/17/19/738321719.db2.gz AXSFMRWIPOHHSQ-HUUCEWRRSA-N 2 1 316.449 1.932 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001028595443 739764191 /nfs/dbraw/zinc/76/41/91/739764191.db2.gz YUVUPIZGDVNANV-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001028595443 739764195 /nfs/dbraw/zinc/76/41/95/739764195.db2.gz YUVUPIZGDVNANV-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001028595443 739764199 /nfs/dbraw/zinc/76/41/99/739764199.db2.gz YUVUPIZGDVNANV-SJLPKXTDSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001028603685 739781722 /nfs/dbraw/zinc/78/17/22/739781722.db2.gz HFFQRKFQGQMDON-JBLNNTITSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001028603685 739781725 /nfs/dbraw/zinc/78/17/25/739781725.db2.gz HFFQRKFQGQMDON-JBLNNTITSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001028603685 739781728 /nfs/dbraw/zinc/78/17/28/739781728.db2.gz HFFQRKFQGQMDON-JBLNNTITSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C/C=C\Cl)C1 ZINC001028603685 739781730 /nfs/dbraw/zinc/78/17/30/739781730.db2.gz HFFQRKFQGQMDON-JBLNNTITSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001028715302 739946212 /nfs/dbraw/zinc/94/62/12/739946212.db2.gz BITWLSSTBXBVIA-OAHLLOKOSA-N 2 1 308.385 1.557 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001028918723 740173704 /nfs/dbraw/zinc/17/37/04/740173704.db2.gz MAVYSICMUXFPKK-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918723 740173706 /nfs/dbraw/zinc/17/37/06/740173706.db2.gz MAVYSICMUXFPKK-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001028918723 740173710 /nfs/dbraw/zinc/17/37/10/740173710.db2.gz MAVYSICMUXFPKK-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1CC ZINC001087757513 740736991 /nfs/dbraw/zinc/73/69/91/740736991.db2.gz YMLZBZLBMMMORP-JKSUJKDBSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC=C)[C@@H]2CC)CC1 ZINC001087840106 740779589 /nfs/dbraw/zinc/77/95/89/740779589.db2.gz HXEVMKNAKHFWTE-ZWKOTPCHSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1CC ZINC001087839264 740779958 /nfs/dbraw/zinc/77/99/58/740779958.db2.gz RWIYXVUPTRQJDF-ZWKOTPCHSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001075875860 741443510 /nfs/dbraw/zinc/44/35/10/741443510.db2.gz HRXBZRFFRVKOTQ-GVDBMIGSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075875860 741443513 /nfs/dbraw/zinc/44/35/13/741443513.db2.gz HRXBZRFFRVKOTQ-GVDBMIGSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001075875860 741443515 /nfs/dbraw/zinc/44/35/15/741443515.db2.gz HRXBZRFFRVKOTQ-GVDBMIGSSA-N 2 1 305.466 1.683 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001075906550 741887979 /nfs/dbraw/zinc/88/79/79/741887979.db2.gz PSWFLTCEFDNXNA-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075906550 741887986 /nfs/dbraw/zinc/88/79/86/741887986.db2.gz PSWFLTCEFDNXNA-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001075906550 741887990 /nfs/dbraw/zinc/88/79/90/741887990.db2.gz PSWFLTCEFDNXNA-GVDBMIGSSA-N 2 1 303.450 1.417 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001181652132 743287202 /nfs/dbraw/zinc/28/72/02/743287202.db2.gz JSMNIVYVMZQNED-MSOLQXFVSA-N 2 1 311.429 1.323 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832866 743481716 /nfs/dbraw/zinc/48/17/16/743481716.db2.gz MTSJKLPBFVBYBG-HNNXBMFYSA-N 2 1 311.857 1.661 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212483739 743612614 /nfs/dbraw/zinc/61/26/14/743612614.db2.gz QKPQZONGJXPDON-HUUCEWRRSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483739 743612616 /nfs/dbraw/zinc/61/26/16/743612616.db2.gz QKPQZONGJXPDON-HUUCEWRRSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212483739 743612618 /nfs/dbraw/zinc/61/26/18/743612618.db2.gz QKPQZONGJXPDON-HUUCEWRRSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001112284912 743813320 /nfs/dbraw/zinc/81/33/20/743813320.db2.gz DTSCVLYHTGLQEQ-JZXOWHBKSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001183867357 743928625 /nfs/dbraw/zinc/92/86/25/743928625.db2.gz BBWOIZINUFIRAZ-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001185669585 744272304 /nfs/dbraw/zinc/27/23/04/744272304.db2.gz UYPZAXCXVYYYSF-CQSZACIVSA-N 2 1 316.405 1.098 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001185994476 744318832 /nfs/dbraw/zinc/31/88/32/744318832.db2.gz WPHGARQCUZGCRD-OAHLLOKOSA-N 2 1 320.437 1.400 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C/C=C/Cl)[C@@H]2C)CC1 ZINC001089059773 744479843 /nfs/dbraw/zinc/47/98/43/744479843.db2.gz AHOPZODLGHVKQV-XSXXPSGLSA-N 2 1 323.868 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)[C@@H]2C)CC1 ZINC001089059773 744479845 /nfs/dbraw/zinc/47/98/45/744479845.db2.gz AHOPZODLGHVKQV-XSXXPSGLSA-N 2 1 323.868 1.663 20 30 DDEDMP C=CCC[NH+]1CC(NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001030741951 744554937 /nfs/dbraw/zinc/55/49/37/744554937.db2.gz KTOCXEUXHYDMJP-UHFFFAOYSA-N 2 1 301.434 1.781 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]CC#Cc3ccccc3)C2)C1 ZINC001187817476 744612168 /nfs/dbraw/zinc/61/21/68/744612168.db2.gz FXHKZUNNZNBTKF-QZTJIDSGSA-N 2 1 311.429 1.180 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992187434 744672931 /nfs/dbraw/zinc/67/29/31/744672931.db2.gz JDQBPXLLMSMGJP-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992187434 744672932 /nfs/dbraw/zinc/67/29/32/744672932.db2.gz JDQBPXLLMSMGJP-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@@H]12 ZINC000992396537 744851893 /nfs/dbraw/zinc/85/18/93/744851893.db2.gz MMBYBQDUGIQXJX-NVXWUHKLSA-N 2 1 302.422 1.652 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)[C@@H]2C1 ZINC001189245644 744852830 /nfs/dbraw/zinc/85/28/30/744852830.db2.gz DVZSYKZGAOUKRL-IJEWVQPXSA-N 2 1 302.422 1.840 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992406205 744859126 /nfs/dbraw/zinc/85/91/26/744859126.db2.gz HLHHKXATUWNXTE-MAUKXSAKSA-N 2 1 301.434 1.219 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3ccnc3C)[C@@H]2C1 ZINC001189433905 744895561 /nfs/dbraw/zinc/89/55/61/744895561.db2.gz ZRHPUNRAXWYXSS-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433905 744895562 /nfs/dbraw/zinc/89/55/62/744895562.db2.gz ZRHPUNRAXWYXSS-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433905 744895564 /nfs/dbraw/zinc/89/55/64/744895564.db2.gz ZRHPUNRAXWYXSS-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001099169838 744903875 /nfs/dbraw/zinc/90/38/75/744903875.db2.gz ZRTSCCZNWQPTMU-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001099169838 744903877 /nfs/dbraw/zinc/90/38/77/744903877.db2.gz ZRTSCCZNWQPTMU-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099169838 744903878 /nfs/dbraw/zinc/90/38/78/744903878.db2.gz ZRTSCCZNWQPTMU-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001099169838 744903880 /nfs/dbraw/zinc/90/38/80/744903880.db2.gz ZRTSCCZNWQPTMU-JZXOWHBKSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191081720 745419569 /nfs/dbraw/zinc/41/95/69/745419569.db2.gz SBZDGCQASDBLEQ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191081720 745419571 /nfs/dbraw/zinc/41/95/71/745419571.db2.gz SBZDGCQASDBLEQ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191081720 745419574 /nfs/dbraw/zinc/41/95/74/745419574.db2.gz SBZDGCQASDBLEQ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106244005 745451364 /nfs/dbraw/zinc/45/13/64/745451364.db2.gz BWKRMCSMHCITQA-IXDOHACOSA-N 2 1 305.466 1.282 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001106322401 745601969 /nfs/dbraw/zinc/60/19/69/745601969.db2.gz NOUUAEOUXMRTGF-BRWVUGGUSA-N 2 1 323.481 1.357 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+](C)CC#CCOC)C1 ZINC001194266227 746325609 /nfs/dbraw/zinc/32/56/09/746325609.db2.gz MLPICMUCQLXLOC-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@H+](C)CC#CCOC)C1 ZINC001194266227 746325612 /nfs/dbraw/zinc/32/56/12/746325612.db2.gz MLPICMUCQLXLOC-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CC#CCOC)C1 ZINC001194266227 746325616 /nfs/dbraw/zinc/32/56/16/746325616.db2.gz MLPICMUCQLXLOC-DLBZAZTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC000993932902 746379936 /nfs/dbraw/zinc/37/99/36/746379936.db2.gz WPYTXBPFUMYWIV-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000994005430 746417912 /nfs/dbraw/zinc/41/79/12/746417912.db2.gz LSPOPDFZUFWQKG-YJBOKZPZSA-N 2 1 313.445 1.964 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001196060130 746764142 /nfs/dbraw/zinc/76/41/42/746764142.db2.gz KSKISUPDUBVMDC-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060130 746764145 /nfs/dbraw/zinc/76/41/45/746764145.db2.gz KSKISUPDUBVMDC-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001196060130 746764149 /nfs/dbraw/zinc/76/41/49/746764149.db2.gz KSKISUPDUBVMDC-KRWDZBQOSA-N 2 1 323.481 1.598 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#C)CC(C)(C)C1 ZINC001089410777 746822171 /nfs/dbraw/zinc/82/21/71/746822171.db2.gz VBOSWMPNZSEEQX-IRXDYDNUSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#C)CC(C)(C)C1 ZINC001089410777 746822175 /nfs/dbraw/zinc/82/21/75/746822175.db2.gz VBOSWMPNZSEEQX-IRXDYDNUSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#C)CC(C)(C)C1 ZINC001089410777 746822180 /nfs/dbraw/zinc/82/21/80/746822180.db2.gz VBOSWMPNZSEEQX-IRXDYDNUSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#C)CC(C)(C)C1 ZINC001089410777 746822184 /nfs/dbraw/zinc/82/21/84/746822184.db2.gz VBOSWMPNZSEEQX-IRXDYDNUSA-N 2 1 315.461 1.324 20 30 DDEDMP C[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001197044995 747034955 /nfs/dbraw/zinc/03/49/55/747034955.db2.gz YWYGIDDSVFBPHB-UHFFFAOYSA-N 2 1 314.433 1.544 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089483881 747061523 /nfs/dbraw/zinc/06/15/23/747061523.db2.gz PCXVAWBRGMEEAV-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cccc(C#N)c2)C1 ZINC001031577347 747090074 /nfs/dbraw/zinc/09/00/74/747090074.db2.gz LMQSIALGGDZVPI-QGZVFWFLSA-N 2 1 312.417 1.200 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC001031577347 747090083 /nfs/dbraw/zinc/09/00/83/747090083.db2.gz LMQSIALGGDZVPI-QGZVFWFLSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089564312 747236567 /nfs/dbraw/zinc/23/65/67/747236567.db2.gz XXVWMJNKNLBYOV-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)CC(C)(C)C1 ZINC001089564312 747236569 /nfs/dbraw/zinc/23/65/69/747236569.db2.gz XXVWMJNKNLBYOV-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCCC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128467333 747251539 /nfs/dbraw/zinc/25/15/39/747251539.db2.gz QIAQFXYUWILJKK-UHFFFAOYSA-N 2 1 319.453 1.233 20 30 DDEDMP C=CCCC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128467333 747251541 /nfs/dbraw/zinc/25/15/41/747251541.db2.gz QIAQFXYUWILJKK-UHFFFAOYSA-N 2 1 319.453 1.233 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007497154 752175256 /nfs/dbraw/zinc/17/52/56/752175256.db2.gz AZKAYRCEFLGDRC-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007497154 752175258 /nfs/dbraw/zinc/17/52/58/752175258.db2.gz AZKAYRCEFLGDRC-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007497154 752175259 /nfs/dbraw/zinc/17/52/59/752175259.db2.gz AZKAYRCEFLGDRC-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC)CC1 ZINC001089733841 747710728 /nfs/dbraw/zinc/71/07/28/747710728.db2.gz ATDAEUQBLTXEMJ-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089851008 748066259 /nfs/dbraw/zinc/06/62/59/748066259.db2.gz SAQIJJSIQPFNAE-XSLAGTTESA-N 2 1 317.477 1.683 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085402 748222865 /nfs/dbraw/zinc/22/28/65/748222865.db2.gz UJSPTBHLYFOHSQ-HNNXBMFYSA-N 2 1 319.453 1.167 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200721208 748329047 /nfs/dbraw/zinc/32/90/47/748329047.db2.gz JCOOEIDKPNMKAS-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004623214 748589198 /nfs/dbraw/zinc/58/91/98/748589198.db2.gz QQVPWXXGTMJYDL-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004623214 748589188 /nfs/dbraw/zinc/58/91/88/748589188.db2.gz QQVPWXXGTMJYDL-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001004623214 748589193 /nfs/dbraw/zinc/58/91/93/748589193.db2.gz QQVPWXXGTMJYDL-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099551607 748619557 /nfs/dbraw/zinc/61/95/57/748619557.db2.gz ACAPPSFKSTUQCM-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099551607 748619564 /nfs/dbraw/zinc/61/95/64/748619564.db2.gz ACAPPSFKSTUQCM-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099551607 748619567 /nfs/dbraw/zinc/61/95/67/748619567.db2.gz ACAPPSFKSTUQCM-QAETUUGQSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C[NH+](CC)CC ZINC001114353046 749104071 /nfs/dbraw/zinc/10/40/71/749104071.db2.gz LOXFZRJBRJZMRF-QXSJWSMHSA-N 2 1 311.445 1.679 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001039307572 761923212 /nfs/dbraw/zinc/92/32/12/761923212.db2.gz NNDYUJBKJVQZBX-MGNMYUMUSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114404768 749167082 /nfs/dbraw/zinc/16/70/82/749167082.db2.gz GZNIEUSPYHMERB-WCVJEAGWSA-N 2 1 305.466 1.872 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995959670 749308706 /nfs/dbraw/zinc/30/87/06/749308706.db2.gz RRGSVMQJXPAFEB-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1(C)C ZINC000995959670 749308711 /nfs/dbraw/zinc/30/87/11/749308711.db2.gz RRGSVMQJXPAFEB-KFWWJZLASA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033416551 749314854 /nfs/dbraw/zinc/31/48/54/749314854.db2.gz QHHDPNMWHSKNJJ-RHSMWYFYSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033416551 749314859 /nfs/dbraw/zinc/31/48/59/749314859.db2.gz QHHDPNMWHSKNJJ-RHSMWYFYSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001033416551 749314862 /nfs/dbraw/zinc/31/48/62/749314862.db2.gz QHHDPNMWHSKNJJ-RHSMWYFYSA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001033416551 749314864 /nfs/dbraw/zinc/31/48/64/749314864.db2.gz QHHDPNMWHSKNJJ-RHSMWYFYSA-N 2 1 309.429 1.365 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033417979 749317023 /nfs/dbraw/zinc/31/70/23/749317023.db2.gz YOLAVCFAOUOSOZ-HUUCEWRRSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033417979 749317024 /nfs/dbraw/zinc/31/70/24/749317024.db2.gz YOLAVCFAOUOSOZ-HUUCEWRRSA-N 2 1 302.422 1.473 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001108342905 761958494 /nfs/dbraw/zinc/95/84/94/761958494.db2.gz KLLNACKFXDIAJG-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001108342905 761958496 /nfs/dbraw/zinc/95/84/96/761958496.db2.gz KLLNACKFXDIAJG-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108342905 761958498 /nfs/dbraw/zinc/95/84/98/761958498.db2.gz KLLNACKFXDIAJG-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001108342905 761958501 /nfs/dbraw/zinc/95/85/01/761958501.db2.gz KLLNACKFXDIAJG-NVXWUHKLSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1(C)C ZINC000996675993 749893863 /nfs/dbraw/zinc/89/38/63/749893863.db2.gz KPMYKTNITAPIRD-DLBZAZTESA-N 2 1 313.445 1.749 20 30 DDEDMP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997129074 750537830 /nfs/dbraw/zinc/53/78/30/750537830.db2.gz SUMWFZWDTGMHRH-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001005870169 753284422 /nfs/dbraw/zinc/28/44/22/753284422.db2.gz RVHHYTVZYNHXHW-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001005870169 753284427 /nfs/dbraw/zinc/28/44/27/753284427.db2.gz RVHHYTVZYNHXHW-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001009626639 753287401 /nfs/dbraw/zinc/28/74/01/753287401.db2.gz JORJCTAEECKEMO-LWAXHKBTSA-N 2 1 323.868 1.665 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)C2)CC1 ZINC001009626639 753287404 /nfs/dbraw/zinc/28/74/04/753287404.db2.gz JORJCTAEECKEMO-LWAXHKBTSA-N 2 1 323.868 1.665 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001005890565 753315928 /nfs/dbraw/zinc/31/59/28/753315928.db2.gz HUDONDVZISMSIR-OAHLLOKOSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@H]([NH2+]C1CC[NH+](CC)CC1)C2 ZINC001169221786 762286629 /nfs/dbraw/zinc/28/66/29/762286629.db2.gz MAVYTGZIJQBQED-KRWDZBQOSA-N 2 1 315.461 1.966 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001751026 754481911 /nfs/dbraw/zinc/48/19/11/754481911.db2.gz GSCUQEJHFHURJG-KRWDZBQOSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241555 762453584 /nfs/dbraw/zinc/45/35/84/762453584.db2.gz PDCUOAREBQTUOT-FUHWJXTLSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015595665 756396652 /nfs/dbraw/zinc/39/66/52/756396652.db2.gz CUINANXMKCLLCO-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001015595665 756396659 /nfs/dbraw/zinc/39/66/59/756396659.db2.gz CUINANXMKCLLCO-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001015595665 756396662 /nfs/dbraw/zinc/39/66/62/756396662.db2.gz CUINANXMKCLLCO-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001015595665 756396669 /nfs/dbraw/zinc/39/66/69/756396669.db2.gz CUINANXMKCLLCO-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001082708657 756900161 /nfs/dbraw/zinc/90/01/61/756900161.db2.gz GKNXMYURKCNROM-XNRPHZJLSA-N 2 1 302.422 1.376 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001082742393 756910192 /nfs/dbraw/zinc/91/01/92/756910192.db2.gz DFXUAPDQJDXDPI-XNRPHZJLSA-N 2 1 302.422 1.376 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083119808 757121912 /nfs/dbraw/zinc/12/19/12/757121912.db2.gz LPNJUXVNVIKGFB-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH+]1CCC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001006203235 757153058 /nfs/dbraw/zinc/15/30/58/757153058.db2.gz ZPZMKKJQVNKRGM-UHFFFAOYSA-N 2 1 323.400 1.437 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001083168665 757171755 /nfs/dbraw/zinc/17/17/55/757171755.db2.gz GCMVWWDANPOWIA-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001083168665 757171761 /nfs/dbraw/zinc/17/17/61/757171761.db2.gz GCMVWWDANPOWIA-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168665 757171763 /nfs/dbraw/zinc/17/17/63/757171763.db2.gz GCMVWWDANPOWIA-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168665 757171775 /nfs/dbraw/zinc/17/17/75/757171775.db2.gz GCMVWWDANPOWIA-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083939090 757192684 /nfs/dbraw/zinc/19/26/84/757192684.db2.gz WWJRPQKHWDGIEI-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939090 757192687 /nfs/dbraw/zinc/19/26/87/757192687.db2.gz WWJRPQKHWDGIEI-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939090 757192692 /nfs/dbraw/zinc/19/26/92/757192692.db2.gz WWJRPQKHWDGIEI-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC=C)CC2 ZINC001016668845 757250227 /nfs/dbraw/zinc/25/02/27/757250227.db2.gz AAXQIEIXCWFEJB-JKSUJKDBSA-N 2 1 301.434 1.241 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CC=C)CC2 ZINC001016668845 757250231 /nfs/dbraw/zinc/25/02/31/757250231.db2.gz AAXQIEIXCWFEJB-JKSUJKDBSA-N 2 1 301.434 1.241 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016732830 757305878 /nfs/dbraw/zinc/30/58/78/757305878.db2.gz DBEHISDJMFZRRC-HNNXBMFYSA-N 2 1 300.406 1.186 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001016735065 757307566 /nfs/dbraw/zinc/30/75/66/757307566.db2.gz ZWZFXAVQGJRJIW-HNNXBMFYSA-N 2 1 302.422 1.738 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662376 757744521 /nfs/dbraw/zinc/74/45/21/757744521.db2.gz HJBYUOFOHOVLSU-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662376 757744525 /nfs/dbraw/zinc/74/45/25/757744525.db2.gz HJBYUOFOHOVLSU-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001084662376 757744527 /nfs/dbraw/zinc/74/45/27/757744527.db2.gz HJBYUOFOHOVLSU-BRWVUGGUSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701488 757792659 /nfs/dbraw/zinc/79/26/59/757792659.db2.gz FYFNPCHELMEBNY-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701488 757792667 /nfs/dbraw/zinc/79/26/67/757792667.db2.gz FYFNPCHELMEBNY-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701488 757792675 /nfs/dbraw/zinc/79/26/75/757792675.db2.gz FYFNPCHELMEBNY-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701488 757792682 /nfs/dbraw/zinc/79/26/82/757792682.db2.gz FYFNPCHELMEBNY-KZNAEPCWSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052955204 758007706 /nfs/dbraw/zinc/00/77/06/758007706.db2.gz ASSXNZYMDWWFSR-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955204 758007718 /nfs/dbraw/zinc/00/77/18/758007718.db2.gz ASSXNZYMDWWFSR-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052955204 758007729 /nfs/dbraw/zinc/00/77/29/758007729.db2.gz ASSXNZYMDWWFSR-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958008 758098208 /nfs/dbraw/zinc/09/82/08/758098208.db2.gz IJOOJYJYVXALPN-OAGGEKHMSA-N 2 1 312.417 1.317 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC001084958008 758098219 /nfs/dbraw/zinc/09/82/19/758098219.db2.gz IJOOJYJYVXALPN-OAGGEKHMSA-N 2 1 312.417 1.317 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016725 758150882 /nfs/dbraw/zinc/15/08/82/758150882.db2.gz IPSAWYSHSSQJGE-IKGGRYGDSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]21 ZINC001085016725 758150893 /nfs/dbraw/zinc/15/08/93/758150893.db2.gz IPSAWYSHSSQJGE-IKGGRYGDSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016725 758150899 /nfs/dbraw/zinc/15/08/99/758150899.db2.gz IPSAWYSHSSQJGE-IKGGRYGDSA-N 2 1 321.465 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016725 758150905 /nfs/dbraw/zinc/15/09/05/758150905.db2.gz IPSAWYSHSSQJGE-IKGGRYGDSA-N 2 1 321.465 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CN(C(=O)C1CC[NH+](C)CC1)CCO2 ZINC001053404895 758435879 /nfs/dbraw/zinc/43/58/79/758435879.db2.gz CETLQXNQEWRUDR-UHFFFAOYSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001115302821 762636510 /nfs/dbraw/zinc/63/65/10/762636510.db2.gz VXRMGRSOCBYZAW-HZMVEIRTSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)C2 ZINC001054141773 759216675 /nfs/dbraw/zinc/21/66/75/759216675.db2.gz PHMJLLYFCFIOQF-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141773 759216682 /nfs/dbraw/zinc/21/66/82/759216682.db2.gz PHMJLLYFCFIOQF-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001054141773 759216692 /nfs/dbraw/zinc/21/66/92/759216692.db2.gz PHMJLLYFCFIOQF-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229112 759320241 /nfs/dbraw/zinc/32/02/41/759320241.db2.gz KHKZQTMQLJEDFA-GOSISDBHSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018984758 759477673 /nfs/dbraw/zinc/47/76/73/759477673.db2.gz CXOTVPNUTWFSMW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001018984758 759477689 /nfs/dbraw/zinc/47/76/89/759477689.db2.gz CXOTVPNUTWFSMW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639878 759913626 /nfs/dbraw/zinc/91/36/26/759913626.db2.gz YGPAWMRBBRIAHY-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639878 759913633 /nfs/dbraw/zinc/91/36/33/759913633.db2.gz YGPAWMRBBRIAHY-LSDHHAIUSA-N 2 1 300.406 1.317 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788619 760244294 /nfs/dbraw/zinc/24/42/94/760244294.db2.gz ONPQNLQDFXNHOY-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788619 760244297 /nfs/dbraw/zinc/24/42/97/760244297.db2.gz ONPQNLQDFXNHOY-NVXWUHKLSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901752 760493723 /nfs/dbraw/zinc/49/37/23/760493723.db2.gz LURINJUPHXCDBD-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901752 760493727 /nfs/dbraw/zinc/49/37/27/760493727.db2.gz LURINJUPHXCDBD-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(C)C)CC1 ZINC001085984451 760664241 /nfs/dbraw/zinc/66/42/41/760664241.db2.gz DKCXOSFJLBRTIX-KRWDZBQOSA-N 2 1 305.466 1.520 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(=C)C)C2)CC1 ZINC001046849867 767982376 /nfs/dbraw/zinc/98/23/76/767982376.db2.gz LBTWHPKAWQAJBZ-SFHVURJKSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038348355 761036545 /nfs/dbraw/zinc/03/65/45/761036545.db2.gz BXQODQIOWAAVFU-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001038348355 761036558 /nfs/dbraw/zinc/03/65/58/761036558.db2.gz BXQODQIOWAAVFU-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348355 761036567 /nfs/dbraw/zinc/03/65/67/761036567.db2.gz BXQODQIOWAAVFU-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038348355 761036576 /nfs/dbraw/zinc/03/65/76/761036576.db2.gz BXQODQIOWAAVFU-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086177646 761119271 /nfs/dbraw/zinc/11/92/71/761119271.db2.gz BVSNVERSLVMKHO-SOUVJXGZSA-N 2 1 302.422 1.424 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243019 761880112 /nfs/dbraw/zinc/88/01/12/761880112.db2.gz RSQARPJSOCIEBC-ROUUACIJSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848834 762705275 /nfs/dbraw/zinc/70/52/75/762705275.db2.gz MGFKEFYGSUTHJZ-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001041306377 762947905 /nfs/dbraw/zinc/94/79/05/762947905.db2.gz GTOOIFCZGADORX-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041306377 762947910 /nfs/dbraw/zinc/94/79/10/762947910.db2.gz GTOOIFCZGADORX-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001041306377 762947914 /nfs/dbraw/zinc/94/79/14/762947914.db2.gz GTOOIFCZGADORX-SCTDSRPQSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001109068153 763284231 /nfs/dbraw/zinc/28/42/31/763284231.db2.gz PWRCWAJCFBKHOT-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109068153 763284239 /nfs/dbraw/zinc/28/42/39/763284239.db2.gz PWRCWAJCFBKHOT-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001109068153 763284251 /nfs/dbraw/zinc/28/42/51/763284251.db2.gz PWRCWAJCFBKHOT-UGUYLWEFSA-N 2 1 307.438 1.005 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041789036 763333288 /nfs/dbraw/zinc/33/32/88/763333288.db2.gz MPVBLHLISSHNDS-QGZVFWFLSA-N 2 1 301.434 1.030 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001042094471 763642389 /nfs/dbraw/zinc/64/23/89/763642389.db2.gz SNTOPLNPYIUNCP-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC)CC2 ZINC001050550277 763743229 /nfs/dbraw/zinc/74/32/29/763743229.db2.gz JLNOQHRAZSENSO-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC)CC2 ZINC001050550277 763743234 /nfs/dbraw/zinc/74/32/34/763743234.db2.gz JLNOQHRAZSENSO-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042271039 763847106 /nfs/dbraw/zinc/84/71/06/763847106.db2.gz VUZHVNCIPPVBNB-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@H]21 ZINC001042271039 763847114 /nfs/dbraw/zinc/84/71/14/763847114.db2.gz VUZHVNCIPPVBNB-IAGOWNOFSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]21 ZINC001042287689 763862173 /nfs/dbraw/zinc/86/21/73/763862173.db2.gz MAXJMHINTREXOE-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001098460687 764572006 /nfs/dbraw/zinc/57/20/06/764572006.db2.gz OCIWIJPOTUCNDC-HOTGVXAUSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001098460687 764572016 /nfs/dbraw/zinc/57/20/16/764572016.db2.gz OCIWIJPOTUCNDC-HOTGVXAUSA-N 2 1 323.481 1.188 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001098460687 764572027 /nfs/dbraw/zinc/57/20/27/764572027.db2.gz OCIWIJPOTUCNDC-HOTGVXAUSA-N 2 1 323.481 1.188 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131683598 768260395 /nfs/dbraw/zinc/26/03/95/768260395.db2.gz ZQEVGAUPKMSEHM-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704184 768272988 /nfs/dbraw/zinc/27/29/88/768272988.db2.gz SCYPDBBSBMSKLJ-AEFFLSMTSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704184 768272991 /nfs/dbraw/zinc/27/29/91/768272991.db2.gz SCYPDBBSBMSKLJ-AEFFLSMTSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704184 768272994 /nfs/dbraw/zinc/27/29/94/768272994.db2.gz SCYPDBBSBMSKLJ-AEFFLSMTSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CC=C)C3)CC1 ZINC001047209949 768317010 /nfs/dbraw/zinc/31/70/10/768317010.db2.gz ZHJQYZZWHGGWSP-SZMVWBNQSA-N 2 1 315.461 1.487 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001052369316 765764977 /nfs/dbraw/zinc/76/49/77/765764977.db2.gz QKRSMWMODNDAPS-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052369316 765764981 /nfs/dbraw/zinc/76/49/81/765764981.db2.gz QKRSMWMODNDAPS-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052369316 765764986 /nfs/dbraw/zinc/76/49/86/765764986.db2.gz QKRSMWMODNDAPS-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045585856 766420493 /nfs/dbraw/zinc/42/04/93/766420493.db2.gz XBMYDHKUAAEUOZ-DLBZAZTESA-N 2 1 317.477 1.997 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001045643278 766470816 /nfs/dbraw/zinc/47/08/16/766470816.db2.gz FWEUZGYQRVMKJD-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001045643278 766470818 /nfs/dbraw/zinc/47/08/18/766470818.db2.gz FWEUZGYQRVMKJD-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567502 767695339 /nfs/dbraw/zinc/69/53/39/767695339.db2.gz KEOKAFVTCJJVEU-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567502 767695340 /nfs/dbraw/zinc/69/53/40/767695340.db2.gz KEOKAFVTCJJVEU-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567502 767695344 /nfs/dbraw/zinc/69/53/44/767695344.db2.gz KEOKAFVTCJJVEU-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567502 767695347 /nfs/dbraw/zinc/69/53/47/767695347.db2.gz KEOKAFVTCJJVEU-WMZOPIPTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001047583822 768589280 /nfs/dbraw/zinc/58/92/80/768589280.db2.gz KDNNSJVJQHXLCS-IRXDYDNUSA-N 2 1 323.481 1.186 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[C@H]1C ZINC001132549128 768975038 /nfs/dbraw/zinc/97/50/38/768975038.db2.gz NWHLUJCYIIOUNQ-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CC[C@H]1C ZINC001071890378 770236634 /nfs/dbraw/zinc/23/66/34/770236634.db2.gz KTXHRSLCKHSHSW-ZBFHGGJFSA-N 2 1 319.453 1.213 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC[C@H]1C ZINC001071931210 770304701 /nfs/dbraw/zinc/30/47/01/770304701.db2.gz QMJMFFPPXQCISW-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]2C1 ZINC001049146384 770456189 /nfs/dbraw/zinc/45/61/89/770456189.db2.gz DGHMIECALFPUJA-CALCHBBNSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC#C)CC2)CC[C@@H]1C ZINC001072095400 770536330 /nfs/dbraw/zinc/53/63/30/770536330.db2.gz HTAYGTWMIMEAEY-FUHWJXTLSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001049519468 770966760 /nfs/dbraw/zinc/96/67/60/770966760.db2.gz ZKTYHBGDLREDOI-HOTGVXAUSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001049768745 771146209 /nfs/dbraw/zinc/14/62/09/771146209.db2.gz ZNCUWOUGGIBHJA-FGTMMUONSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135689946 771655622 /nfs/dbraw/zinc/65/56/22/771655622.db2.gz CTOCGIBYXYIWHL-DLBZAZTESA-N 2 1 323.481 1.385 20 30 DDEDMP C#Cc1ccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001144573268 772569095 /nfs/dbraw/zinc/56/90/95/772569095.db2.gz GHGRBSIBYUZZHI-UHFFFAOYSA-N 2 1 302.418 1.985 20 30 DDEDMP C#Cc1ccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)cc1 ZINC001144573268 772569100 /nfs/dbraw/zinc/56/91/00/772569100.db2.gz GHGRBSIBYUZZHI-UHFFFAOYSA-N 2 1 302.418 1.985 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147774428 773224515 /nfs/dbraw/zinc/22/45/15/773224515.db2.gz VBUQFYXPFYUFGM-OAHLLOKOSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001091677194 773345654 /nfs/dbraw/zinc/34/56/54/773345654.db2.gz LZLVUQVBIWUWPF-AOIWGVFYSA-N 2 1 317.477 1.685 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445710 773487899 /nfs/dbraw/zinc/48/78/99/773487899.db2.gz UCGNAPWTTLYHOA-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3C)C2)C1 ZINC001148445710 773487901 /nfs/dbraw/zinc/48/79/01/773487901.db2.gz UCGNAPWTTLYHOA-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3ncc[nH]3)C2)C1 ZINC001148485921 773497374 /nfs/dbraw/zinc/49/73/74/773497374.db2.gz VGAMNIXZRFUPHE-AWEZNQCLSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001086909866 773711323 /nfs/dbraw/zinc/71/13/23/773711323.db2.gz FWVFDBPIONTYDL-JKSUJKDBSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071475 773935797 /nfs/dbraw/zinc/93/57/97/773935797.db2.gz XSJIVQXXBIFXCZ-LMMKCTJWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071475 773935800 /nfs/dbraw/zinc/93/58/00/773935800.db2.gz XSJIVQXXBIFXCZ-LMMKCTJWSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071475 773935805 /nfs/dbraw/zinc/93/58/05/773935805.db2.gz XSJIVQXXBIFXCZ-LMMKCTJWSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092200253 774001800 /nfs/dbraw/zinc/00/18/00/774001800.db2.gz GOXKQXVXBLQTPL-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092200253 774001807 /nfs/dbraw/zinc/00/18/07/774001807.db2.gz GOXKQXVXBLQTPL-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092200253 774001811 /nfs/dbraw/zinc/00/18/11/774001811.db2.gz GOXKQXVXBLQTPL-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC001074653022 774051204 /nfs/dbraw/zinc/05/12/04/774051204.db2.gz SKJAESJSQIMFER-JZXOWHBKSA-N 2 1 317.477 1.853 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001093025046 774356174 /nfs/dbraw/zinc/35/61/74/774356174.db2.gz NTYUHCPLJPMBNG-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001093025046 774356179 /nfs/dbraw/zinc/35/61/79/774356179.db2.gz NTYUHCPLJPMBNG-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@H](C)C1 ZINC001093025046 774356187 /nfs/dbraw/zinc/35/61/87/774356187.db2.gz NTYUHCPLJPMBNG-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001036716928 774391056 /nfs/dbraw/zinc/39/10/56/774391056.db2.gz NTCNYFILWVXASH-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[N@H+](C)CC)C1 ZINC001099544544 775022946 /nfs/dbraw/zinc/02/29/46/775022946.db2.gz QNZQQLKQOGOYOY-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544544 775022949 /nfs/dbraw/zinc/02/29/49/775022949.db2.gz QNZQQLKQOGOYOY-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)CC)C1 ZINC001099544544 775022956 /nfs/dbraw/zinc/02/29/56/775022956.db2.gz QNZQQLKQOGOYOY-XSLAGTTESA-N 2 1 317.477 1.520 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](O)C1 ZINC001100046845 775616389 /nfs/dbraw/zinc/61/63/89/775616389.db2.gz TWDBPLIACNRFLW-DLBZAZTESA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036895940 776007578 /nfs/dbraw/zinc/00/75/78/776007578.db2.gz GYKSTHTYPZKXAD-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036895940 776007589 /nfs/dbraw/zinc/00/75/89/776007589.db2.gz GYKSTHTYPZKXAD-HOTGVXAUSA-N 2 1 302.422 1.690 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001171724989 776424428 /nfs/dbraw/zinc/42/44/28/776424428.db2.gz CEZSGGUSHLOYHZ-UHFFFAOYSA-N 2 1 315.461 1.866 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001101573844 777265344 /nfs/dbraw/zinc/26/53/44/777265344.db2.gz GINKCODSBYIIQJ-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001101575245 777265494 /nfs/dbraw/zinc/26/54/94/777265494.db2.gz ZLUOIAQUFDWWGZ-DOTOQJQBSA-N 2 1 319.493 1.672 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564777 778184160 /nfs/dbraw/zinc/18/41/60/778184160.db2.gz RIKWGOVNBRRQKJ-HZPDHXFCSA-N 2 1 311.470 1.405 20 30 DDEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176636102 778197476 /nfs/dbraw/zinc/19/74/76/778197476.db2.gz KZOYLXSMSQUVTQ-INIZCTEOSA-N 2 1 313.486 1.773 20 30 DDEDMP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176636102 778197481 /nfs/dbraw/zinc/19/74/81/778197481.db2.gz KZOYLXSMSQUVTQ-INIZCTEOSA-N 2 1 313.486 1.773 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599942 778233003 /nfs/dbraw/zinc/23/30/03/778233003.db2.gz DZUIXVUAHWWVLF-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102599964 778233008 /nfs/dbraw/zinc/23/30/08/778233008.db2.gz FSGLBXGEUBLNDE-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613262 778239626 /nfs/dbraw/zinc/23/96/26/778239626.db2.gz SPHHZAVHHONMMF-SJLPKXTDSA-N 2 1 315.461 1.989 20 30 DDEDMP C=CC[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613262 778239630 /nfs/dbraw/zinc/23/96/30/778239630.db2.gz SPHHZAVHHONMMF-SJLPKXTDSA-N 2 1 315.461 1.989 20 30 DDEDMP C=CC[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613262 778239634 /nfs/dbraw/zinc/23/96/34/778239634.db2.gz SPHHZAVHHONMMF-SJLPKXTDSA-N 2 1 315.461 1.989 20 30 DDEDMP C=CC[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613262 778239639 /nfs/dbraw/zinc/23/96/39/778239639.db2.gz SPHHZAVHHONMMF-SJLPKXTDSA-N 2 1 315.461 1.989 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]21 ZINC001177138232 778458471 /nfs/dbraw/zinc/45/84/71/778458471.db2.gz KJWFKUUIFASBCP-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001177138232 778458476 /nfs/dbraw/zinc/45/84/76/778458476.db2.gz KJWFKUUIFASBCP-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138232 778458479 /nfs/dbraw/zinc/45/84/79/778458479.db2.gz KJWFKUUIFASBCP-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)CCC)C[C@@H]21 ZINC001177138232 778458485 /nfs/dbraw/zinc/45/84/85/778458485.db2.gz KJWFKUUIFASBCP-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497686 778904950 /nfs/dbraw/zinc/90/49/50/778904950.db2.gz SQECITOCDJKOGP-SJLPKXTDSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001178535483 779082714 /nfs/dbraw/zinc/08/27/14/779082714.db2.gz JYJUCMKOAGPAKH-IAGOWNOFSA-N 2 1 321.465 1.139 20 30 DDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112072217 779614023 /nfs/dbraw/zinc/61/40/23/779614023.db2.gz OGTHUAWLCKKJIY-JHJVBQTASA-N 2 1 317.355 1.083 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198268 779645739 /nfs/dbraw/zinc/64/57/39/779645739.db2.gz LRPBLOWPPOOGLM-VXGBXAGGSA-N 2 1 307.360 1.493 20 30 DDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112205917 779647944 /nfs/dbraw/zinc/64/79/44/779647944.db2.gz DNTZEYMHXYNBIL-YNEHKIRRSA-N 2 1 319.371 1.493 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115341612 780052922 /nfs/dbraw/zinc/05/29/22/780052922.db2.gz HNJLJZVELCQEJH-DZFIZOCASA-N 2 1 311.429 1.188 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)Cc1ccccc1 ZINC001115341612 780052930 /nfs/dbraw/zinc/05/29/30/780052930.db2.gz HNJLJZVELCQEJH-DZFIZOCASA-N 2 1 311.429 1.188 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001115341612 780052938 /nfs/dbraw/zinc/05/29/38/780052938.db2.gz HNJLJZVELCQEJH-DZFIZOCASA-N 2 1 311.429 1.188 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001115341612 780052946 /nfs/dbraw/zinc/05/29/46/780052946.db2.gz HNJLJZVELCQEJH-DZFIZOCASA-N 2 1 311.429 1.188 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267292475 837760699 /nfs/dbraw/zinc/76/06/99/837760699.db2.gz BGQDEIPBOUTFJO-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC2CCCCC2)CC1 ZINC001266362273 836173814 /nfs/dbraw/zinc/17/38/14/836173814.db2.gz BFVKNTPVIUKPSG-UHFFFAOYSA-N 2 1 319.493 1.960 20 30 DDEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266716366 836718024 /nfs/dbraw/zinc/71/80/24/836718024.db2.gz JBTMBRUODPDDRX-IXDOHACOSA-N 2 1 321.465 1.136 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001267004821 837174127 /nfs/dbraw/zinc/17/41/27/837174127.db2.gz JJLGZZTWWIMGMW-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP C#CC[N@@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001267335082 837850174 /nfs/dbraw/zinc/85/01/74/837850174.db2.gz MEFRLFSZBVLZEQ-UHFFFAOYSA-N 2 1 309.373 1.095 20 30 DDEDMP C#CC[N@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001267335082 837850189 /nfs/dbraw/zinc/85/01/89/837850189.db2.gz MEFRLFSZBVLZEQ-UHFFFAOYSA-N 2 1 309.373 1.095 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267605454 838426826 /nfs/dbraw/zinc/42/68/26/838426826.db2.gz UWPSIWVNYFFZTB-SJLPKXTDSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001267605454 838426831 /nfs/dbraw/zinc/42/68/31/838426831.db2.gz UWPSIWVNYFFZTB-SJLPKXTDSA-N 2 1 313.445 1.751 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267776470 838951794 /nfs/dbraw/zinc/95/17/94/838951794.db2.gz AYZJFIGMUPRDIA-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001268035123 839507228 /nfs/dbraw/zinc/50/72/28/839507228.db2.gz UMFZCEUOSXLHBA-INIZCTEOSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001268419331 840158661 /nfs/dbraw/zinc/15/86/61/840158661.db2.gz ZKUPCRSCNDZEGH-WBVHZDCISA-N 2 1 301.434 1.797 20 30 DDEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268822407 840866182 /nfs/dbraw/zinc/86/61/82/840866182.db2.gz OBFVMMORYNBPAB-KBPBESRZSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001268847424 840896927 /nfs/dbraw/zinc/89/69/27/840896927.db2.gz HONSTKRDGUTSAK-CQSZACIVSA-N 2 1 324.856 1.945 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001269241399 841407952 /nfs/dbraw/zinc/40/79/52/841407952.db2.gz ULAKZOQWHPGGRJ-OWCLPIDISA-N 2 1 309.454 1.062 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001269297456 841483265 /nfs/dbraw/zinc/48/32/65/841483265.db2.gz YTSBEZCERZABSU-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001269349313 841550757 /nfs/dbraw/zinc/55/07/57/841550757.db2.gz RLNWFABBHOPFIN-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCOCC2)C1 ZINC001269349313 841550765 /nfs/dbraw/zinc/55/07/65/841550765.db2.gz RLNWFABBHOPFIN-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001269741191 841993468 /nfs/dbraw/zinc/99/34/68/841993468.db2.gz LJPIBPIUJNRJHT-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001269741191 841993480 /nfs/dbraw/zinc/99/34/80/841993480.db2.gz LJPIBPIUJNRJHT-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001269741191 841993487 /nfs/dbraw/zinc/99/34/87/841993487.db2.gz LJPIBPIUJNRJHT-GOSISDBHSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001269960929 842182975 /nfs/dbraw/zinc/18/29/75/842182975.db2.gz SRPOIIIBVJWIQA-CVEARBPZSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001271167355 843362826 /nfs/dbraw/zinc/36/28/26/843362826.db2.gz LZPSKWIXXXZRCY-WMLDXEAASA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001271167355 843362838 /nfs/dbraw/zinc/36/28/38/843362838.db2.gz LZPSKWIXXXZRCY-WMLDXEAASA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCN1C(=O)C[C@]2(CCC[N@@H+](CC3CC[NH2+]CC3)C2)C1=O ZINC001273028971 847810254 /nfs/dbraw/zinc/81/02/54/847810254.db2.gz CFQHMCODSASQSN-KRWDZBQOSA-N 2 1 305.422 1.013 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431273 848515162 /nfs/dbraw/zinc/51/51/62/848515162.db2.gz JYLYWKDYTAUICV-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@H+](CC3CC[NH+](CC)CC3)C2)C1=O ZINC001273143495 848551677 /nfs/dbraw/zinc/55/16/77/848551677.db2.gz HTPASDZMXRCKCA-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCCN(C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145182 848571735 /nfs/dbraw/zinc/57/17/35/848571735.db2.gz VIASUNJRUGCOHL-CRAIPNDOSA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1=O ZINC001273145182 848571738 /nfs/dbraw/zinc/57/17/38/848571738.db2.gz VIASUNJRUGCOHL-CRAIPNDOSA-N 2 1 319.449 1.355 20 30 DDEDMP C=CCN1C(=O)C[C@@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1=O ZINC001273145182 848571747 /nfs/dbraw/zinc/57/17/47/848571747.db2.gz VIASUNJRUGCOHL-CRAIPNDOSA-N 2 1 319.449 1.355 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#CCOC)CC1 ZINC001327163073 861936296 /nfs/dbraw/zinc/93/62/96/861936296.db2.gz NGIONFJJZXNDNV-QGZVFWFLSA-N 2 1 323.481 1.339 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001150071527 862062682 /nfs/dbraw/zinc/06/26/82/862062682.db2.gz PIAYANUJQLBSTC-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001273475828 851002396 /nfs/dbraw/zinc/00/23/96/851002396.db2.gz UEDRUEWBBALZSI-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001273475828 851002404 /nfs/dbraw/zinc/00/24/04/851002404.db2.gz UEDRUEWBBALZSI-QZTJIDSGSA-N 2 1 313.445 1.893 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150371961 862199994 /nfs/dbraw/zinc/19/99/94/862199994.db2.gz NNGXDJVWGLHMEU-GDBMZVCRSA-N 2 1 320.437 1.514 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCCO[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001150371961 862200005 /nfs/dbraw/zinc/20/00/05/862200005.db2.gz NNGXDJVWGLHMEU-GDBMZVCRSA-N 2 1 320.437 1.514 20 30 DDEDMP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001274318967 852154755 /nfs/dbraw/zinc/15/47/55/852154755.db2.gz VXVVSXBTHVNYGB-NFAHFFEMSA-N 2 1 300.406 1.039 20 30 DDEDMP COCC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275492303 853217582 /nfs/dbraw/zinc/21/75/82/853217582.db2.gz MKKMJFUUPTUILQ-HUUCEWRRSA-N 2 1 311.470 1.097 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275779677 853733009 /nfs/dbraw/zinc/73/30/09/853733009.db2.gz GBZIFVYHWHGFAI-HOTGVXAUSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001327958098 862594146 /nfs/dbraw/zinc/59/41/46/862594146.db2.gz KIRGQZYTINNTTR-FUHWJXTLSA-N 2 1 313.445 1.578 20 30 DDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001327958098 862594161 /nfs/dbraw/zinc/59/41/61/862594161.db2.gz KIRGQZYTINNTTR-FUHWJXTLSA-N 2 1 313.445 1.578 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001151216295 862687040 /nfs/dbraw/zinc/68/70/40/862687040.db2.gz IAGQPZSHBLLTRC-UHFFFAOYSA-N 2 1 320.437 1.365 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1C ZINC001049556909 856971853 /nfs/dbraw/zinc/97/18/53/856971853.db2.gz DJHBFFOQJIOZKF-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001049556909 856971865 /nfs/dbraw/zinc/97/18/65/856971865.db2.gz DJHBFFOQJIOZKF-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001049556909 856971870 /nfs/dbraw/zinc/97/18/70/856971870.db2.gz DJHBFFOQJIOZKF-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596161 857033200 /nfs/dbraw/zinc/03/32/00/857033200.db2.gz SEWMCSMTLXXQQJ-HZPDHXFCSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596161 857033206 /nfs/dbraw/zinc/03/32/06/857033206.db2.gz SEWMCSMTLXXQQJ-HZPDHXFCSA-N 2 1 302.422 1.833 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001156299056 862918737 /nfs/dbraw/zinc/91/87/37/862918737.db2.gz MGAQRIZWWURTQO-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001072816231 857748810 /nfs/dbraw/zinc/74/88/10/857748810.db2.gz TXGFDGJSDWRGAN-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001072816231 857748819 /nfs/dbraw/zinc/74/88/19/857748819.db2.gz TXGFDGJSDWRGAN-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001072816231 857748826 /nfs/dbraw/zinc/74/88/26/857748826.db2.gz TXGFDGJSDWRGAN-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C2)C1 ZINC001073117924 858115800 /nfs/dbraw/zinc/11/58/00/858115800.db2.gz ARVRTENLNIZAJZ-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001073125532 858121800 /nfs/dbraw/zinc/12/18/00/858121800.db2.gz ABLXQMUGOZZTPU-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001073453957 858349173 /nfs/dbraw/zinc/34/91/73/858349173.db2.gz CUXMNSZKKHUMBC-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC1 ZINC001073455671 858352644 /nfs/dbraw/zinc/35/26/44/858352644.db2.gz LRGYETVLWNMAKI-UHFFFAOYSA-N 2 1 315.461 1.276 20 30 DDEDMP C=C(C)C[NH2+]C1CC2(CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001121915934 858632022 /nfs/dbraw/zinc/63/20/22/858632022.db2.gz TYVNENURJKUPET-UHFFFAOYSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104051 860808582 /nfs/dbraw/zinc/80/85/82/860808582.db2.gz PYMXMUWWTJXNHE-HUUCEWRRSA-N 2 1 305.466 1.757 20 30 DDEDMP N#Cc1ccc(-c2ccncc2)nc1NC(=[NH2+])NCCCC[NH3+] ZINC001157099697 863575554 /nfs/dbraw/zinc/57/55/54/863575554.db2.gz TZFBAXAOFWYFHS-UHFFFAOYSA-N 2 1 309.377 1.690 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225087782 881674564 /nfs/dbraw/zinc/67/45/64/881674564.db2.gz LGMHPPWWFZZBAH-UHFFFAOYSA-N 2 1 311.470 1.359 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001153930265 864237914 /nfs/dbraw/zinc/23/79/14/864237914.db2.gz LYGWCBPTZJQPPZ-CVEARBPZSA-N 2 1 311.470 1.049 20 30 DDEDMP C=CCO[C@@H]1CC[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001330655113 864514649 /nfs/dbraw/zinc/51/46/49/864514649.db2.gz NKYSKCPOAICSIN-RTBURBONSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@@H]1CC[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001330655113 864514655 /nfs/dbraw/zinc/51/46/55/864514655.db2.gz NKYSKCPOAICSIN-RTBURBONSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@@H]1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001330655113 864514665 /nfs/dbraw/zinc/51/46/65/864514665.db2.gz NKYSKCPOAICSIN-RTBURBONSA-N 2 1 316.445 1.900 20 30 DDEDMP C=CCO[C@@H]1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001330655113 864514667 /nfs/dbraw/zinc/51/46/67/864514667.db2.gz NKYSKCPOAICSIN-RTBURBONSA-N 2 1 316.445 1.900 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC001330891572 864682972 /nfs/dbraw/zinc/68/29/72/864682972.db2.gz VCCSQYKAILNZAT-PQUAAJSLSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC001330891572 864682978 /nfs/dbraw/zinc/68/29/78/864682978.db2.gz VCCSQYKAILNZAT-PQUAAJSLSA-N 2 1 320.481 1.646 20 30 DDEDMP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001331724596 865274256 /nfs/dbraw/zinc/27/42/56/865274256.db2.gz GUSVQLZOTNLLDC-ZBFHGGJFSA-N 2 1 309.454 1.036 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001332203729 865662215 /nfs/dbraw/zinc/66/22/15/865662215.db2.gz FMZNFIDCNFDYHH-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001332203729 865662227 /nfs/dbraw/zinc/66/22/27/865662227.db2.gz FMZNFIDCNFDYHH-NVXWUHKLSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169017 865708134 /nfs/dbraw/zinc/70/81/34/865708134.db2.gz GTCPNZXTUBLRJA-DLBZAZTESA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC=C(Cl)Cl ZINC001160209637 865730252 /nfs/dbraw/zinc/73/02/52/865730252.db2.gz TUOBMYWBNWVPAF-LBPRGKRZSA-N 2 1 318.248 1.499 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC=C(Cl)Cl ZINC001160209637 865730256 /nfs/dbraw/zinc/73/02/56/865730256.db2.gz TUOBMYWBNWVPAF-LBPRGKRZSA-N 2 1 318.248 1.499 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001323080066 866319558 /nfs/dbraw/zinc/31/95/58/866319558.db2.gz FMWPSUMUYZXBET-IRXDYDNUSA-N 2 1 305.466 1.757 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001321155586 867356835 /nfs/dbraw/zinc/35/68/35/867356835.db2.gz ARNRRHCJLHGKBU-NSCUHMNNSA-N 2 1 323.400 1.525 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001325051301 867721324 /nfs/dbraw/zinc/72/13/24/867721324.db2.gz OLYJGFGEQNMGPN-CYBMUJFWSA-N 2 1 315.408 1.730 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001325753996 868325781 /nfs/dbraw/zinc/32/57/81/868325781.db2.gz PENWPTZENMWVKL-BHYGNILZSA-N 2 1 316.449 1.936 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC001325753996 868325792 /nfs/dbraw/zinc/32/57/92/868325792.db2.gz PENWPTZENMWVKL-BHYGNILZSA-N 2 1 316.449 1.936 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531509 869264334 /nfs/dbraw/zinc/26/43/34/869264334.db2.gz LGNDOJVTOYPGOW-JKSUJKDBSA-N 2 1 305.466 1.923 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001165333594 869522964 /nfs/dbraw/zinc/52/29/64/869522964.db2.gz QGYKDKNUQWBUDR-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001165492337 869618549 /nfs/dbraw/zinc/61/85/49/869618549.db2.gz QTVKGEGMDPIIAG-MRXNPFEDSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001165545841 869636796 /nfs/dbraw/zinc/63/67/96/869636796.db2.gz RKVTZXHRRJGQLQ-INIZCTEOSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(C)C)CC1 ZINC001165545841 869636800 /nfs/dbraw/zinc/63/68/00/869636800.db2.gz RKVTZXHRRJGQLQ-INIZCTEOSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001317014988 870120725 /nfs/dbraw/zinc/12/07/25/870120725.db2.gz DWNJHXVJBDOSPO-GNKZJXQNSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001317014988 870120730 /nfs/dbraw/zinc/12/07/30/870120730.db2.gz DWNJHXVJBDOSPO-GNKZJXQNSA-N 2 1 309.841 1.321 20 30 DDEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001317033077 870141699 /nfs/dbraw/zinc/14/16/99/870141699.db2.gz FDJUEKHPYUNCCK-HZPDHXFCSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001317033077 870141708 /nfs/dbraw/zinc/14/17/08/870141708.db2.gz FDJUEKHPYUNCCK-HZPDHXFCSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1 ZINC001338995150 870286547 /nfs/dbraw/zinc/28/65/47/870286547.db2.gz FMRIZBSNMIRENK-QGZVFWFLSA-N 2 1 301.434 1.840 20 30 DDEDMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317382523 870745042 /nfs/dbraw/zinc/74/50/42/870745042.db2.gz GRXFICUDKQACFQ-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317382523 870745052 /nfs/dbraw/zinc/74/50/52/870745052.db2.gz GRXFICUDKQACFQ-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317508644 870949913 /nfs/dbraw/zinc/94/99/13/870949913.db2.gz NUZFBDOJZIVDGF-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317508644 870949923 /nfs/dbraw/zinc/94/99/23/870949923.db2.gz NUZFBDOJZIVDGF-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317508644 870949935 /nfs/dbraw/zinc/94/99/35/870949935.db2.gz NUZFBDOJZIVDGF-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001340932484 871431189 /nfs/dbraw/zinc/43/11/89/871431189.db2.gz RYCKSSOMGUIKNS-CALCHBBNSA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001318608678 872167685 /nfs/dbraw/zinc/16/76/85/872167685.db2.gz XOQKMYKDFYCCSK-KRWDZBQOSA-N 2 1 301.434 1.626 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001318608678 872167693 /nfs/dbraw/zinc/16/76/93/872167693.db2.gz XOQKMYKDFYCCSK-KRWDZBQOSA-N 2 1 301.434 1.626 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001318996137 872390666 /nfs/dbraw/zinc/39/06/66/872390666.db2.gz NUXWYGYCGXXMQX-GOSISDBHSA-N 2 1 313.445 1.900 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001319246554 872517798 /nfs/dbraw/zinc/51/77/98/872517798.db2.gz RHJNXKOHDUZVCL-PBHICJAKSA-N 2 1 311.445 1.564 20 30 DDEDMP C=CCCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001319310625 872561914 /nfs/dbraw/zinc/56/19/14/872561914.db2.gz QUOYCRDHOROPMP-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001319310625 872561922 /nfs/dbraw/zinc/56/19/22/872561922.db2.gz QUOYCRDHOROPMP-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001319310625 872561930 /nfs/dbraw/zinc/56/19/30/872561930.db2.gz QUOYCRDHOROPMP-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001207336352 873201339 /nfs/dbraw/zinc/20/13/39/873201339.db2.gz HWHUNXOXALNONJ-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207336352 873201346 /nfs/dbraw/zinc/20/13/46/873201346.db2.gz HWHUNXOXALNONJ-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001207336352 873201348 /nfs/dbraw/zinc/20/13/48/873201348.db2.gz HWHUNXOXALNONJ-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467365 874166272 /nfs/dbraw/zinc/16/62/72/874166272.db2.gz KNVMXJURLHGDJG-AWEZNQCLSA-N 2 1 320.437 1.897 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492564 874187200 /nfs/dbraw/zinc/18/72/00/874187200.db2.gz NIGNTFXFPPETHM-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492564 874187206 /nfs/dbraw/zinc/18/72/06/874187206.db2.gz NIGNTFXFPPETHM-RHSMWYFYSA-N 2 1 314.433 1.446 20 30 DDEDMP C=CCN1C(=O)CCC12CC[NH+](C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC001208605543 874306980 /nfs/dbraw/zinc/30/69/80/874306980.db2.gz AAAPWXPBBBNRRD-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001209250926 874756804 /nfs/dbraw/zinc/75/68/04/874756804.db2.gz JTRMHYSZPPDKQK-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210147053 875245392 /nfs/dbraw/zinc/24/53/92/875245392.db2.gz YZLHYEDMIDYETA-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001218454438 877487810 /nfs/dbraw/zinc/48/78/10/877487810.db2.gz GASKZLHHZDVPPT-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001218454438 877487821 /nfs/dbraw/zinc/48/78/21/877487821.db2.gz GASKZLHHZDVPPT-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001218454438 877487827 /nfs/dbraw/zinc/48/78/27/877487827.db2.gz GASKZLHHZDVPPT-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP N#Cc1cc(NC(=O)C[NH2+]CCC[NH3+])ccc1N1CCCCC1 ZINC001218943882 877821506 /nfs/dbraw/zinc/82/15/06/877821506.db2.gz DLFAKIIEQFLKQD-UHFFFAOYSA-N 2 1 315.421 1.425 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219941597 878608625 /nfs/dbraw/zinc/60/86/25/878608625.db2.gz GUKPEBIKZFYMIX-OAGGEKHMSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620549 879972413 /nfs/dbraw/zinc/97/24/13/879972413.db2.gz KQOMKTZCSXJKIM-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620549 879972421 /nfs/dbraw/zinc/97/24/21/879972421.db2.gz KQOMKTZCSXJKIM-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620549 879972426 /nfs/dbraw/zinc/97/24/26/879972426.db2.gz KQOMKTZCSXJKIM-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877770 880130314 /nfs/dbraw/zinc/13/03/14/880130314.db2.gz IFNDFPDWCRHVHW-BRWVUGGUSA-N 2 1 305.466 1.519 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H]2C1 ZINC001221877770 880130323 /nfs/dbraw/zinc/13/03/23/880130323.db2.gz IFNDFPDWCRHVHW-BRWVUGGUSA-N 2 1 305.466 1.519 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(CNC(=O)CCC[NH+](C)C)CC1 ZINC001224254876 881294570 /nfs/dbraw/zinc/29/45/70/881294570.db2.gz YLSCAVRTHPNABA-UHFFFAOYSA-N 2 1 301.862 1.909 20 30 DDEDMP C#CC[NH2+]CCC[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001277330013 883674148 /nfs/dbraw/zinc/67/41/48/883674148.db2.gz WKRSNDCXWUIPCL-AWEZNQCLSA-N 2 1 311.389 1.389 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001382430596 883994516 /nfs/dbraw/zinc/99/45/16/883994516.db2.gz UYEDIBSAANUFQQ-CYBMUJFWSA-N 2 1 319.877 1.126 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001229616089 884078388 /nfs/dbraw/zinc/07/83/88/884078388.db2.gz DSCQLHLAZHEORV-UHFFFAOYSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229869042 884201769 /nfs/dbraw/zinc/20/17/69/884201769.db2.gz VTLPSBSOLJKNFS-HZPDHXFCSA-N 2 1 311.470 1.548 20 30 DDEDMP CC#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001277603295 886039256 /nfs/dbraw/zinc/03/92/56/886039256.db2.gz BGGVEBWDYWMHLY-DLBZAZTESA-N 2 1 321.465 1.139 20 30 DDEDMP N#CC1(C[C@H](O)C[NH+]2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC001363839805 887360197 /nfs/dbraw/zinc/36/01/97/887360197.db2.gz VCHDUNGOPPBKIO-INIZCTEOSA-N 2 1 307.438 1.274 20 30 DDEDMP N#Cc1cccc([C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001364357513 888449815 /nfs/dbraw/zinc/44/98/15/888449815.db2.gz BGDDFVVNEOXXBR-SFHVURJKSA-N 2 1 308.385 1.809 20 30 DDEDMP C#Cc1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)cc1 ZINC001236040271 889079299 /nfs/dbraw/zinc/07/92/99/889079299.db2.gz JPXPHBVCOYIETR-IEBWSBKVSA-N 2 1 312.413 1.643 20 30 DDEDMP C#Cc1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@]3(C(=O)OCC)C2)cc1 ZINC001236040271 889079315 /nfs/dbraw/zinc/07/93/15/889079315.db2.gz JPXPHBVCOYIETR-IEBWSBKVSA-N 2 1 312.413 1.643 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CCN3CCOCC3)CCC[C@H]12 ZINC001278466802 892911211 /nfs/dbraw/zinc/91/12/11/892911211.db2.gz LDPGFLOQMVQPLK-WMZOPIPTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001278466802 892911217 /nfs/dbraw/zinc/91/12/17/892911217.db2.gz LDPGFLOQMVQPLK-WMZOPIPTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCOCC3)CCC[C@H]12 ZINC001278466802 892911228 /nfs/dbraw/zinc/91/12/28/892911228.db2.gz LDPGFLOQMVQPLK-WMZOPIPTSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCN(CC=C)CC[NH+]1CCN([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246949867 893014161 /nfs/dbraw/zinc/01/41/61/893014161.db2.gz RBQUJIDTKVTEMC-QZTJIDSGSA-N 2 1 306.498 1.419 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCN2CCOCC2)[C@H]1C ZINC001278520260 894052519 /nfs/dbraw/zinc/05/25/19/894052519.db2.gz DAYHIWZDKZEKPJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001278520260 894052555 /nfs/dbraw/zinc/05/25/55/894052555.db2.gz DAYHIWZDKZEKPJ-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOC[C@H](O)C[NH+]1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001252472972 895189674 /nfs/dbraw/zinc/18/96/74/895189674.db2.gz DJNDNFCCQPWDMM-MRXNPFEDSA-N 2 1 312.454 1.125 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC001367034346 895632160 /nfs/dbraw/zinc/63/21/60/895632160.db2.gz XFTDXVMZOYECMN-MRXNPFEDSA-N 2 1 300.406 1.200 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC001278703389 895724530 /nfs/dbraw/zinc/72/45/30/895724530.db2.gz HJYMEBSRPHWHJL-OLZOCXBDSA-N 2 1 319.371 1.186 20 30 DDEDMP C=C[C@H](O)C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC001253583185 895914884 /nfs/dbraw/zinc/91/48/84/895914884.db2.gz YTPINKPDOWITJZ-SFHVURJKSA-N 2 1 316.445 1.900 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367289452 896359035 /nfs/dbraw/zinc/35/90/35/896359035.db2.gz PMHJFZGLCOOMMI-GXTWGEPZSA-N 2 1 301.862 1.955 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CCN([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528926 896486443 /nfs/dbraw/zinc/48/64/43/896486443.db2.gz ALDBERIOHCXBHD-LJQANCHMSA-N 2 1 320.525 1.762 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001367437381 896762013 /nfs/dbraw/zinc/76/20/13/896762013.db2.gz GYODYOLVQUVACD-GXTWGEPZSA-N 2 1 301.862 1.906 20 30 DDEDMP C#CCCN1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1=O ZINC001255671849 897081503 /nfs/dbraw/zinc/08/15/03/897081503.db2.gz QNZPXNFISWPDHY-HMQMGEFJSA-N 2 1 303.450 1.606 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367772971 897736318 /nfs/dbraw/zinc/73/63/18/897736318.db2.gz WAIJJXHFPXBQCX-BBRMVZONSA-N 2 1 300.406 1.104 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264375098 901059404 /nfs/dbraw/zinc/05/94/04/901059404.db2.gz UFZHGMVOMNMAGC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001264375098 901059415 /nfs/dbraw/zinc/05/94/15/901059415.db2.gz UFZHGMVOMNMAGC-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001264521253 901167503 /nfs/dbraw/zinc/16/75/03/901167503.db2.gz XDIVYAYQLCVWBK-DOTOQJQBSA-N 2 1 316.449 1.822 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001264685573 901283689 /nfs/dbraw/zinc/28/36/89/901283689.db2.gz LLDGNGZAWWJOHZ-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265591631 902172681 /nfs/dbraw/zinc/17/26/81/902172681.db2.gz YIERNRKNYJHSJJ-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265591631 902172694 /nfs/dbraw/zinc/17/26/94/902172694.db2.gz YIERNRKNYJHSJJ-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265591631 902172703 /nfs/dbraw/zinc/17/27/03/902172703.db2.gz YIERNRKNYJHSJJ-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001265786879 902407840 /nfs/dbraw/zinc/40/78/40/902407840.db2.gz XGRKKZKBPNRKJY-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001265786879 902407851 /nfs/dbraw/zinc/40/78/51/902407851.db2.gz XGRKKZKBPNRKJY-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001282885268 906155094 /nfs/dbraw/zinc/15/50/94/906155094.db2.gz JSHVWVWMAAWMQB-NXOAAHMSSA-N 2 1 305.466 1.587 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001284087395 908456309 /nfs/dbraw/zinc/45/63/09/908456309.db2.gz OUXJBVUDKQJFEC-CGTJXYLNSA-N 2 1 317.477 1.711 20 30 DDEDMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001377009612 920073846 /nfs/dbraw/zinc/07/38/46/920073846.db2.gz FVDHJKXEANIZNV-IUODEOHRSA-N 2 1 320.462 1.698 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1ccccc1C#N ZINC000174724647 198376182 /nfs/dbraw/zinc/37/61/82/198376182.db2.gz MGWQVYWADMNKMP-UHFFFAOYSA-N 2 1 316.449 1.506 20 30 DDEDMP C[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730644 354282282 /nfs/dbraw/zinc/28/22/82/354282282.db2.gz GMVKAZHDMFCIHC-JKSUJKDBSA-N 2 1 320.481 1.991 20 30 DDEDMP N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593730246 355978175 /nfs/dbraw/zinc/97/81/75/355978175.db2.gz MOOFYUGZHVSXBK-GVDBMIGSSA-N 2 1 300.406 1.814 20 30 DDEDMP N#Cc1cnccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000593730246 355978178 /nfs/dbraw/zinc/97/81/78/355978178.db2.gz MOOFYUGZHVSXBK-GVDBMIGSSA-N 2 1 300.406 1.814 20 30 DDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318296 357891269 /nfs/dbraw/zinc/89/12/69/357891269.db2.gz WONPXMHHMZMOFX-HOTGVXAUSA-N 2 1 309.454 1.331 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318296 357891270 /nfs/dbraw/zinc/89/12/70/357891270.db2.gz WONPXMHHMZMOFX-HOTGVXAUSA-N 2 1 309.454 1.331 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318296 357891272 /nfs/dbraw/zinc/89/12/72/357891272.db2.gz WONPXMHHMZMOFX-HOTGVXAUSA-N 2 1 309.454 1.331 20 30 DDEDMP C[N@@H+](CCCn1ccnc1)C[C@@H](O)COc1ccccc1C#N ZINC000599338531 357900038 /nfs/dbraw/zinc/90/00/38/357900038.db2.gz UTEUAOMFKFHIBF-MRXNPFEDSA-N 2 1 314.389 1.517 20 30 DDEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600722511 358296329 /nfs/dbraw/zinc/29/63/29/358296329.db2.gz GQSYLAKGYHHYKQ-INIZCTEOSA-N 2 1 320.437 1.633 20 30 DDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C#N)cn2)CC1 ZINC000609343056 360298518 /nfs/dbraw/zinc/29/85/18/360298518.db2.gz ARQSIBZXTRVJSE-UHFFFAOYSA-N 2 1 322.372 1.352 20 30 DDEDMP CC[NH+](CC)CC(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093046349 193197324 /nfs/dbraw/zinc/19/73/24/193197324.db2.gz NHAYNSCMJOMFBN-UHFFFAOYSA-N 2 1 308.470 1.802 20 30 DDEDMP C#CCCOc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000264946646 204292794 /nfs/dbraw/zinc/29/27/94/204292794.db2.gz IWCFTUMVASJBFH-QGZVFWFLSA-N 2 1 302.418 1.635 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]=C(N(C)C)N(C)C)c2)CCO1 ZINC000104180125 407348736 /nfs/dbraw/zinc/34/87/36/407348736.db2.gz PGGLZQHNKOHWFD-OAHLLOKOSA-N 2 1 318.465 1.887 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]=C(N(C)C)N(C)C)c2)CCO1 ZINC000104180125 407348737 /nfs/dbraw/zinc/34/87/37/407348737.db2.gz PGGLZQHNKOHWFD-OAHLLOKOSA-N 2 1 318.465 1.887 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000152609050 407660650 /nfs/dbraw/zinc/66/06/50/407660650.db2.gz KBGLLROTCJCTQJ-CQSZACIVSA-N 2 1 312.483 1.118 20 30 DDEDMP CN(C(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000273331070 408155421 /nfs/dbraw/zinc/15/54/21/408155421.db2.gz JLJPSLBKMAQMMA-MRXNPFEDSA-N 2 1 300.450 1.960 20 30 DDEDMP CC#CCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000155639106 408190151 /nfs/dbraw/zinc/19/01/51/408190151.db2.gz LHJQLKUHKWIJTQ-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ncc(C)s1 ZINC000273461888 408211041 /nfs/dbraw/zinc/21/10/41/408211041.db2.gz HSRQDMQLNXIHFZ-WCQYABFASA-N 2 1 309.483 1.944 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000246712907 408323642 /nfs/dbraw/zinc/32/36/42/408323642.db2.gz LGMSPFIIXRQZDG-DJIMGWMZSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000246712907 408323648 /nfs/dbraw/zinc/32/36/48/408323648.db2.gz LGMSPFIIXRQZDG-DJIMGWMZSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000246712907 408323654 /nfs/dbraw/zinc/32/36/54/408323654.db2.gz LGMSPFIIXRQZDG-DJIMGWMZSA-N 2 1 317.433 1.712 20 30 DDEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(C#N)cc2)CC[NH+]1C ZINC000246712907 408323658 /nfs/dbraw/zinc/32/36/58/408323658.db2.gz LGMSPFIIXRQZDG-DJIMGWMZSA-N 2 1 317.433 1.712 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000295023267 409308449 /nfs/dbraw/zinc/30/84/49/409308449.db2.gz NUZWFNFXUGFUDY-HNNXBMFYSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000295023267 409308451 /nfs/dbraw/zinc/30/84/51/409308451.db2.gz NUZWFNFXUGFUDY-HNNXBMFYSA-N 2 1 317.433 1.957 20 30 DDEDMP C#CC[N@H+](C)CCCN[C@H](C)c1ccccc1OCC(=O)OC ZINC000295078923 409314356 /nfs/dbraw/zinc/31/43/56/409314356.db2.gz SXFRVQYVIQXOOP-OAHLLOKOSA-N 2 1 318.417 1.844 20 30 DDEDMP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285210484 409402143 /nfs/dbraw/zinc/40/21/43/409402143.db2.gz WQKFJVBEQBUPMT-DZGCQCFKSA-N 2 1 306.458 1.507 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000645266465 422969495 /nfs/dbraw/zinc/96/94/95/422969495.db2.gz UWZYQKZQAHVTAX-MRXNPFEDSA-N 2 1 308.470 1.763 20 30 DDEDMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cccc(C#N)c3)cn2)CC1 ZINC000133862868 196341674 /nfs/dbraw/zinc/34/16/74/196341674.db2.gz OKNLROUDRVVPQD-UHFFFAOYSA-N 2 1 322.416 1.390 20 30 DDEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)Nc1ccc2c(c1)CCC2 ZINC000187857093 222000244 /nfs/dbraw/zinc/00/02/44/222000244.db2.gz FEIXNOSOGOWVQC-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)Nc1ccc2c(c1)CCC2 ZINC000187857093 222000247 /nfs/dbraw/zinc/00/02/47/222000247.db2.gz FEIXNOSOGOWVQC-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264142475 222325482 /nfs/dbraw/zinc/32/54/82/222325482.db2.gz XBCBWGWOSAPDJU-CQSZACIVSA-N 2 1 306.454 1.966 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000262487609 222283225 /nfs/dbraw/zinc/28/32/25/222283225.db2.gz SXWGWUMLGRAIOB-HNNXBMFYSA-N 2 1 308.451 1.859 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC12CCSCC2 ZINC000263037256 222301645 /nfs/dbraw/zinc/30/16/45/222301645.db2.gz BXYHIZQKTSSIMO-KGLIPLIRSA-N 2 1 310.511 1.908 20 30 DDEDMP C=CCNC(=[NH2+])NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000263183842 222305424 /nfs/dbraw/zinc/30/54/24/222305424.db2.gz WIKMAZXZUKUQQL-UHFFFAOYSA-N 2 1 308.470 1.890 20 30 DDEDMP C=CCNC(=[NH2+])NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000263183842 222305428 /nfs/dbraw/zinc/30/54/28/222305428.db2.gz WIKMAZXZUKUQQL-UHFFFAOYSA-N 2 1 308.470 1.890 20 30 DDEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCc2ccccc21 ZINC000263258992 222306773 /nfs/dbraw/zinc/30/67/73/222306773.db2.gz RWXRVRWDTWILJR-UHFFFAOYSA-N 2 1 315.465 1.262 20 30 DDEDMP CCOc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264078910 222314266 /nfs/dbraw/zinc/31/42/66/222314266.db2.gz GUCLOVSIOFJPGX-HNNXBMFYSA-N 2 1 304.438 1.974 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCn1ccnc1C ZINC000267395153 222384191 /nfs/dbraw/zinc/38/41/91/222384191.db2.gz DVDCKBRXOZLKGG-HNNXBMFYSA-N 2 1 306.458 1.360 20 30 DDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267395153 222384194 /nfs/dbraw/zinc/38/41/94/222384194.db2.gz DVDCKBRXOZLKGG-HNNXBMFYSA-N 3 1 306.458 1.360 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCn1cc[nH+]c1C ZINC000267395153 222384197 /nfs/dbraw/zinc/38/41/97/222384197.db2.gz DVDCKBRXOZLKGG-HNNXBMFYSA-N 3 1 306.458 1.360 20 30 DDEDMP CCc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000267445353 222385469 /nfs/dbraw/zinc/38/54/69/222385469.db2.gz PYCIIKNBPBGCOU-CQSZACIVSA-N 2 1 304.438 1.944 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc2c(c1)CCO2 ZINC000267471561 222386897 /nfs/dbraw/zinc/38/68/97/222386897.db2.gz XYBIBAWBCFNWAK-MRXNPFEDSA-N 2 1 316.449 1.553 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000377894374 418716835 /nfs/dbraw/zinc/71/68/35/418716835.db2.gz AKHXMBYJYRIYPP-AWEZNQCLSA-N 2 1 302.422 1.521 20 30 DDEDMP CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424186748 228243032 /nfs/dbraw/zinc/24/30/32/228243032.db2.gz HIRVZHPYTNXBFZ-IRXDYDNUSA-N 2 1 314.433 1.740 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000491231691 421195562 /nfs/dbraw/zinc/19/55/62/421195562.db2.gz VLTYTGJFWBJIDY-UHFFFAOYSA-N 2 1 321.465 1.093 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000566615765 421607298 /nfs/dbraw/zinc/60/72/98/421607298.db2.gz XSTQJGOJVBHCSM-HNNXBMFYSA-N 2 1 308.397 1.805 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CC#N)CC2)CC1 ZINC000557594085 421779270 /nfs/dbraw/zinc/77/92/70/421779270.db2.gz NDDBNMUZZZCDCY-CQSZACIVSA-N 2 1 306.454 1.601 20 30 DDEDMP C=CC[C@@]1(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CCC[NH2+]1 ZINC000662809078 424775261 /nfs/dbraw/zinc/77/52/61/424775261.db2.gz DHOGBDCZTSOODP-KRWDZBQOSA-N 2 1 317.437 1.203 20 30 DDEDMP C[C@@H]1CN(Cc2ccc(C#N)o2)CC[N@@H+]1C1CCN(C)CC1 ZINC000377679040 267053235 /nfs/dbraw/zinc/05/32/35/267053235.db2.gz OIIRDSYTYJHIDF-CQSZACIVSA-N 2 1 302.422 1.752 20 30 DDEDMP C[C@@H]1CN(Cc2ccc(C#N)o2)CC[N@H+]1C1CCN(C)CC1 ZINC000377679040 267053239 /nfs/dbraw/zinc/05/32/39/267053239.db2.gz OIIRDSYTYJHIDF-CQSZACIVSA-N 2 1 302.422 1.752 20 30 DDEDMP Cc1ccc([C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000262465857 301789928 /nfs/dbraw/zinc/78/99/28/301789928.db2.gz NOXLJNSYRBAYDE-CABCVRRESA-N 2 1 320.437 1.760 20 30 DDEDMP C[C@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000375359650 337009172 /nfs/dbraw/zinc/00/91/72/337009172.db2.gz DYUXPPUABUICOC-ROUUACIJSA-N 2 1 308.466 1.464 20 30 DDEDMP OCC[C@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@@H](CCO)C2)C1 ZINC000671240749 484977360 /nfs/dbraw/zinc/97/73/60/484977360.db2.gz QDSXHGXZAIQQCB-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP OCC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CCO)C2)C1 ZINC000671240749 484977367 /nfs/dbraw/zinc/97/73/67/484977367.db2.gz QDSXHGXZAIQQCB-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP OCC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](CCO)C2)C1 ZINC000671240749 484977374 /nfs/dbraw/zinc/97/73/74/484977374.db2.gz QDSXHGXZAIQQCB-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1C#N ZINC000423121607 533896680 /nfs/dbraw/zinc/89/66/80/533896680.db2.gz JDRWXERAURNKNM-BBWFWOEESA-N 2 1 315.417 1.814 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CCCC)CC1 ZINC000491654119 526811866 /nfs/dbraw/zinc/81/18/66/526811866.db2.gz FBGACGXIWNBDIA-UHFFFAOYSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000491474484 526983475 /nfs/dbraw/zinc/98/34/75/526983475.db2.gz NEDVYHCPGUMQPY-PBHICJAKSA-N 2 1 319.474 1.860 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000491474484 526983479 /nfs/dbraw/zinc/98/34/79/526983479.db2.gz NEDVYHCPGUMQPY-PBHICJAKSA-N 2 1 319.474 1.860 20 30 DDEDMP CCOC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000341882291 528937364 /nfs/dbraw/zinc/93/73/64/528937364.db2.gz KQJWSHYOTLWRCA-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP CCOC[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](COCC)C2)C1 ZINC000341882291 528937369 /nfs/dbraw/zinc/93/73/69/528937369.db2.gz KQJWSHYOTLWRCA-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP CCOC[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](COCC)C2)C1 ZINC000341882291 528937371 /nfs/dbraw/zinc/93/73/71/528937371.db2.gz KQJWSHYOTLWRCA-HDICACEKSA-N 2 1 308.466 1.707 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980240631 696716582 /nfs/dbraw/zinc/71/65/82/696716582.db2.gz PZWWCCNQKNQJTA-ULQDDVLXSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980240631 696716584 /nfs/dbraw/zinc/71/65/84/696716584.db2.gz PZWWCCNQKNQJTA-ULQDDVLXSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000746212022 700011136 /nfs/dbraw/zinc/01/11/36/700011136.db2.gz JBSYOBZDLQTSCK-NXHRZFHOSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000746212022 700011139 /nfs/dbraw/zinc/01/11/39/700011139.db2.gz JBSYOBZDLQTSCK-NXHRZFHOSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000746212022 700011142 /nfs/dbraw/zinc/01/11/42/700011142.db2.gz JBSYOBZDLQTSCK-NXHRZFHOSA-N 2 1 315.461 1.559 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000746212022 700011146 /nfs/dbraw/zinc/01/11/46/700011146.db2.gz JBSYOBZDLQTSCK-NXHRZFHOSA-N 2 1 315.461 1.559 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577400 695688947 /nfs/dbraw/zinc/68/89/47/695688947.db2.gz MWFGTNBTBZTTLI-JKSUJKDBSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972916 695770745 /nfs/dbraw/zinc/77/07/45/695770745.db2.gz QFKWESIWLKTDEG-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972916 695770747 /nfs/dbraw/zinc/77/07/47/695770747.db2.gz QFKWESIWLKTDEG-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972916 695770748 /nfs/dbraw/zinc/77/07/48/695770748.db2.gz QFKWESIWLKTDEG-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974972916 695770751 /nfs/dbraw/zinc/77/07/51/695770751.db2.gz QFKWESIWLKTDEG-HZPDHXFCSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000978266614 696354489 /nfs/dbraw/zinc/35/44/89/696354489.db2.gz FYXVCKBBLPJMQH-FJIDUMEYSA-N 2 1 317.477 1.873 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)[C@@H]2C1 ZINC000978266614 696354492 /nfs/dbraw/zinc/35/44/92/696354492.db2.gz FYXVCKBBLPJMQH-FJIDUMEYSA-N 2 1 317.477 1.873 20 30 DDEDMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)[C@@H]2C1 ZINC000978266614 696354495 /nfs/dbraw/zinc/35/44/95/696354495.db2.gz FYXVCKBBLPJMQH-FJIDUMEYSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC)C[C@H]32)CC1 ZINC000979092567 696494151 /nfs/dbraw/zinc/49/41/51/696494151.db2.gz SSFSCTXIAWQXOA-OSYLJGHBSA-N 2 1 303.450 1.036 20 30 DDEDMP C[NH+]=C(NCC(=O)OC(C)(C)C)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000085550434 696563598 /nfs/dbraw/zinc/56/35/98/696563598.db2.gz OSXAVDLSZQEILC-AGUYFDCRSA-N 2 1 324.469 1.508 20 30 DDEDMP CCCOc1ncccc1CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000104180429 696619440 /nfs/dbraw/zinc/61/94/40/696619440.db2.gz YYYYNFYZJDUKQY-OAHLLOKOSA-N 2 1 319.453 1.759 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980173050 696699445 /nfs/dbraw/zinc/69/94/45/696699445.db2.gz DRBYWDXWNKBJOQ-BBWFWOEESA-N 2 1 303.450 1.178 20 30 DDEDMP C[NH+]=C(NCCc1c(C)noc1C)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000132194252 696812720 /nfs/dbraw/zinc/81/27/20/696812720.db2.gz ZFKLQIHNIDEFML-BXUZGUMPSA-N 2 1 319.453 1.624 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC000982062962 697019082 /nfs/dbraw/zinc/01/90/82/697019082.db2.gz FWDPVOGDXCCMOR-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062962 697019085 /nfs/dbraw/zinc/01/90/85/697019085.db2.gz FWDPVOGDXCCMOR-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC000982062962 697019088 /nfs/dbraw/zinc/01/90/88/697019088.db2.gz FWDPVOGDXCCMOR-DLBZAZTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC000982162687 697046008 /nfs/dbraw/zinc/04/60/08/697046008.db2.gz ZKSMLLWDLPBSOE-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@]2(C)C1 ZINC000982307845 697089402 /nfs/dbraw/zinc/08/94/02/697089402.db2.gz CAQNGYPRFKIZFT-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982307845 697089405 /nfs/dbraw/zinc/08/94/05/697089405.db2.gz CAQNGYPRFKIZFT-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@]2(C)C1 ZINC000982307845 697089407 /nfs/dbraw/zinc/08/94/07/697089407.db2.gz CAQNGYPRFKIZFT-NXHRZFHOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982807289 697181166 /nfs/dbraw/zinc/18/11/66/697181166.db2.gz CZBHCIMMWNPIMI-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982807289 697181168 /nfs/dbraw/zinc/18/11/68/697181168.db2.gz CZBHCIMMWNPIMI-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985652669 697550445 /nfs/dbraw/zinc/55/04/45/697550445.db2.gz GCCFNBHVTISAKX-OAHLLOKOSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000985652669 697550447 /nfs/dbraw/zinc/55/04/47/697550447.db2.gz GCCFNBHVTISAKX-OAHLLOKOSA-N 2 1 314.433 1.310 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262782208 698479755 /nfs/dbraw/zinc/47/97/55/698479755.db2.gz LNICZXHICHSCRK-QRTARXTBSA-N 2 1 308.470 1.329 20 30 DDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262782208 698479757 /nfs/dbraw/zinc/47/97/57/698479757.db2.gz LNICZXHICHSCRK-QRTARXTBSA-N 2 1 308.470 1.329 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N(C)C)cc1 ZINC000303789651 698607015 /nfs/dbraw/zinc/60/70/15/698607015.db2.gz VLVZGWDULXWXGI-INIZCTEOSA-N 2 1 303.454 1.641 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000303969253 698612003 /nfs/dbraw/zinc/61/20/03/698612003.db2.gz BPLWAMJOCXJUOY-NSHDSACASA-N 2 1 306.410 1.913 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000328035863 698745505 /nfs/dbraw/zinc/74/55/05/698745505.db2.gz WGFBZFOCFSHWQH-OAHLLOKOSA-N 2 1 309.454 1.931 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000328035863 698745507 /nfs/dbraw/zinc/74/55/07/698745507.db2.gz WGFBZFOCFSHWQH-OAHLLOKOSA-N 2 1 309.454 1.931 20 30 DDEDMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000398144937 699119083 /nfs/dbraw/zinc/11/90/83/699119083.db2.gz NQBLYVGNZDOXLZ-RDJZCZTQSA-N 2 1 314.433 1.516 20 30 DDEDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000398144937 699119086 /nfs/dbraw/zinc/11/90/86/699119086.db2.gz NQBLYVGNZDOXLZ-RDJZCZTQSA-N 2 1 314.433 1.516 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991362016 699306831 /nfs/dbraw/zinc/30/68/31/699306831.db2.gz QCTBEIYDYLVEFX-CBZIJGRNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991362016 699306835 /nfs/dbraw/zinc/30/68/35/699306835.db2.gz QCTBEIYDYLVEFX-CBZIJGRNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991362016 699306838 /nfs/dbraw/zinc/30/68/38/699306838.db2.gz QCTBEIYDYLVEFX-CBZIJGRNSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991362016 699306842 /nfs/dbraw/zinc/30/68/42/699306842.db2.gz QCTBEIYDYLVEFX-CBZIJGRNSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730098212 699500841 /nfs/dbraw/zinc/50/08/41/699500841.db2.gz ZTEOBCVGZCEVRG-ULQDDVLXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000730098212 699500843 /nfs/dbraw/zinc/50/08/43/699500843.db2.gz ZTEOBCVGZCEVRG-ULQDDVLXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000730098428 699500974 /nfs/dbraw/zinc/50/09/74/699500974.db2.gz CRDOBAQFYLTBCK-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000730098428 699500975 /nfs/dbraw/zinc/50/09/75/699500975.db2.gz CRDOBAQFYLTBCK-SFHVURJKSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000764358123 700967855 /nfs/dbraw/zinc/96/78/55/700967855.db2.gz HOCMSJRIVVBETQ-UHFFFAOYSA-N 2 1 317.433 1.253 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000815652534 701907773 /nfs/dbraw/zinc/90/77/73/701907773.db2.gz HCMYPAAJKOOBGO-OAHLLOKOSA-N 2 1 314.433 1.822 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000815652534 701907777 /nfs/dbraw/zinc/90/77/77/701907777.db2.gz HCMYPAAJKOOBGO-OAHLLOKOSA-N 2 1 314.433 1.822 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000813824754 702421152 /nfs/dbraw/zinc/42/11/52/702421152.db2.gz QVNPTSOPTZLUIC-NVXWUHKLSA-N 2 1 301.434 1.883 20 30 DDEDMP C=C[C@H](C)ONC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000845631105 703184562 /nfs/dbraw/zinc/18/45/62/703184562.db2.gz PFGODRATHIVSIC-GJZGRUSLSA-N 2 1 312.458 1.550 20 30 DDEDMP C#C[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000847020988 703367167 /nfs/dbraw/zinc/36/71/67/703367167.db2.gz HDLBTLBQJTZKJH-FUHWJXTLSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CCOc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000849037534 703613838 /nfs/dbraw/zinc/61/38/38/703613838.db2.gz OHQDVYWUTZLGEX-MRXNPFEDSA-N 2 1 314.433 1.797 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000870256756 703975996 /nfs/dbraw/zinc/97/59/96/703975996.db2.gz WEQDIESLHRIKJS-INIZCTEOSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000870256756 703975999 /nfs/dbraw/zinc/97/59/99/703975999.db2.gz WEQDIESLHRIKJS-INIZCTEOSA-N 2 1 303.450 1.561 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000876736756 705848638 /nfs/dbraw/zinc/84/86/38/705848638.db2.gz MQVCLQSPXKIMEM-WVWOOGAGSA-N 2 1 301.862 1.939 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000876941324 705932208 /nfs/dbraw/zinc/93/22/08/705932208.db2.gz KHALACKGBVYJOL-KGLIPLIRSA-N 2 1 317.861 1.416 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000876941324 705932209 /nfs/dbraw/zinc/93/22/09/705932209.db2.gz KHALACKGBVYJOL-KGLIPLIRSA-N 2 1 317.861 1.416 20 30 DDEDMP C=CCN1CC[C@@H](O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1=O ZINC000871784533 707204232 /nfs/dbraw/zinc/20/42/32/707204232.db2.gz HCQQVFSKOMFQJS-WTUNAVPPSA-N 2 1 306.410 1.145 20 30 DDEDMP C=CCN1CC[C@@H](O[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1=O ZINC000871784533 707204235 /nfs/dbraw/zinc/20/42/35/707204235.db2.gz HCQQVFSKOMFQJS-WTUNAVPPSA-N 2 1 306.410 1.145 20 30 DDEDMP C#CC[C@@H](CCOC)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872216533 707333439 /nfs/dbraw/zinc/33/34/39/707333439.db2.gz WTDSZGIKYGMQGJ-RBUKOAKNSA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[C@@H](CCOC)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872216533 707333442 /nfs/dbraw/zinc/33/34/42/707333442.db2.gz WTDSZGIKYGMQGJ-RBUKOAKNSA-N 2 1 316.445 1.641 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1 ZINC000884201805 708186770 /nfs/dbraw/zinc/18/67/70/708186770.db2.gz HPZJYYNXQSJHKH-BBWFWOEESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C1 ZINC000884201805 708186772 /nfs/dbraw/zinc/18/67/72/708186772.db2.gz HPZJYYNXQSJHKH-BBWFWOEESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000884201805 708186773 /nfs/dbraw/zinc/18/67/73/708186773.db2.gz HPZJYYNXQSJHKH-BBWFWOEESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000884201805 708186774 /nfs/dbraw/zinc/18/67/74/708186774.db2.gz HPZJYYNXQSJHKH-BBWFWOEESA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@@H+](CC)CCC)C1 ZINC000884366914 708265537 /nfs/dbraw/zinc/26/55/37/708265537.db2.gz MDJMEZKIDBIRBT-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@@H](C)C[N@H+](CC)CCC)C1 ZINC000884366914 708265538 /nfs/dbraw/zinc/26/55/38/708265538.db2.gz MDJMEZKIDBIRBT-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](CC)CCC)C1 ZINC000884366914 708265542 /nfs/dbraw/zinc/26/55/42/708265542.db2.gz MDJMEZKIDBIRBT-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C)C[NH+](CC)CCC)C1 ZINC000884366914 708265546 /nfs/dbraw/zinc/26/55/46/708265546.db2.gz MDJMEZKIDBIRBT-JKSUJKDBSA-N 2 1 308.470 1.504 20 30 DDEDMP CC(=[NH+]NCCC[NH+]1CCOCC1)c1c(C)cc(N)cc1C ZINC000884462143 708306293 /nfs/dbraw/zinc/30/62/93/708306293.db2.gz WLFXGKCDQPRSHB-UHFFFAOYSA-N 2 1 304.438 1.922 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C1 ZINC000890370525 709841943 /nfs/dbraw/zinc/84/19/43/709841943.db2.gz AKIPEZCWSAMKEC-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000890370525 709841947 /nfs/dbraw/zinc/84/19/47/709841947.db2.gz AKIPEZCWSAMKEC-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000890370525 709841951 /nfs/dbraw/zinc/84/19/51/709841951.db2.gz AKIPEZCWSAMKEC-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000890370525 709841954 /nfs/dbraw/zinc/84/19/54/709841954.db2.gz AKIPEZCWSAMKEC-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C[NH+]1CCC(CNc2ccnc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000911947038 711084609 /nfs/dbraw/zinc/08/46/09/711084609.db2.gz IKMHRVRCBWIWDN-UHFFFAOYSA-N 2 1 313.449 1.737 20 30 DDEDMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000903422395 711121752 /nfs/dbraw/zinc/12/17/52/711121752.db2.gz BIDCPVDBWUIRDU-MRXNPFEDSA-N 2 1 314.433 1.462 20 30 DDEDMP C#CCN(C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000914219755 713361523 /nfs/dbraw/zinc/36/15/23/713361523.db2.gz BEBROTKBBDIXMB-IRXDYDNUSA-N 2 1 318.465 1.352 20 30 DDEDMP CC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923334966 714319180 /nfs/dbraw/zinc/31/91/80/714319180.db2.gz HPTOJCKFLIUSNP-IAGOWNOFSA-N 2 1 317.433 1.762 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC)CC2 ZINC000957561011 715953241 /nfs/dbraw/zinc/95/32/41/715953241.db2.gz CVSZUPUPHLAFPI-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(CC1)CC[NH+](CC)CC2 ZINC000957561011 715953244 /nfs/dbraw/zinc/95/32/44/715953244.db2.gz CVSZUPUPHLAFPI-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940744188 716941055 /nfs/dbraw/zinc/94/10/55/716941055.db2.gz HGGHYQLRQHZOGF-SJORKVTESA-N 2 1 317.477 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000940892291 717012528 /nfs/dbraw/zinc/01/25/28/717012528.db2.gz BSEBHWSCYIXBSB-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892291 717012532 /nfs/dbraw/zinc/01/25/32/717012532.db2.gz BSEBHWSCYIXBSB-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892291 717012535 /nfs/dbraw/zinc/01/25/35/717012535.db2.gz BSEBHWSCYIXBSB-HNNXBMFYSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C(C)(C)C1 ZINC000941187086 717125970 /nfs/dbraw/zinc/12/59/70/717125970.db2.gz VJPFXNMCAPSUHX-OAHLLOKOSA-N 2 1 302.422 1.501 20 30 DDEDMP N#Cc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962553861 717509284 /nfs/dbraw/zinc/50/92/84/717509284.db2.gz ICYNNDKIUBNONN-DZFIZOCASA-N 2 1 324.428 1.200 20 30 DDEDMP N#Cc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC000962553861 717509287 /nfs/dbraw/zinc/50/92/87/717509287.db2.gz ICYNNDKIUBNONN-DZFIZOCASA-N 2 1 324.428 1.200 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC000942302009 717606279 /nfs/dbraw/zinc/60/62/79/717606279.db2.gz IDAPLBHJWVUYBZ-PBHICJAKSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC000965348908 717626527 /nfs/dbraw/zinc/62/65/27/717626527.db2.gz YLLCMTMXZSVHRJ-RFSHTEQGSA-N 2 1 317.477 1.900 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942582398 717762388 /nfs/dbraw/zinc/76/23/88/717762388.db2.gz YYRHHVGLIUAQGS-ZBFHGGJFSA-N 2 1 317.433 1.805 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000963625027 717854969 /nfs/dbraw/zinc/85/49/69/717854969.db2.gz OUJASWRTURJZPW-SWAPUOLTSA-N 2 1 311.857 1.850 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000943755945 718184657 /nfs/dbraw/zinc/18/46/57/718184657.db2.gz JLNBMLGRQLGIKG-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](C)C1 ZINC000944169719 718265366 /nfs/dbraw/zinc/26/53/66/718265366.db2.gz QHIXCJVLDAJIOW-ZFWWWQNUSA-N 2 1 300.406 1.221 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779150 718905991 /nfs/dbraw/zinc/90/59/91/718905991.db2.gz HRZXPBUMCJMQRZ-BDXSIMOUSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779150 718905995 /nfs/dbraw/zinc/90/59/95/718905995.db2.gz HRZXPBUMCJMQRZ-BDXSIMOUSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779150 718905996 /nfs/dbraw/zinc/90/59/96/718905996.db2.gz HRZXPBUMCJMQRZ-BDXSIMOUSA-N 2 1 319.493 1.931 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]2C1 ZINC000946833691 718921434 /nfs/dbraw/zinc/92/14/34/718921434.db2.gz CTVKQOUHYYTOJZ-HDICACEKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947617118 719228091 /nfs/dbraw/zinc/22/80/91/719228091.db2.gz VFOHDTPFVCAUBA-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CCN1CCN(C(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000948954138 719800255 /nfs/dbraw/zinc/80/02/55/719800255.db2.gz MQHMNIFSBQAPQR-HNNXBMFYSA-N 2 1 302.422 1.556 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001027576036 738424075 /nfs/dbraw/zinc/42/40/75/738424075.db2.gz IZSIWMYPIZAVKG-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001027576036 738424076 /nfs/dbraw/zinc/42/40/76/738424076.db2.gz IZSIWMYPIZAVKG-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001027576036 738424077 /nfs/dbraw/zinc/42/40/77/738424077.db2.gz IZSIWMYPIZAVKG-MAUKXSAKSA-N 2 1 323.456 1.755 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001020614433 732562681 /nfs/dbraw/zinc/56/26/81/732562681.db2.gz ZSTCGWYMMGXMDQ-TVFCKZIOSA-N 2 1 311.429 1.202 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001039173539 733082504 /nfs/dbraw/zinc/08/25/04/733082504.db2.gz ZARPEIIDEBMNNN-QGZVFWFLSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173009 733082647 /nfs/dbraw/zinc/08/26/47/733082647.db2.gz KXIJRWGXAWEQGZ-QGZVFWFLSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC001039173009 733082653 /nfs/dbraw/zinc/08/26/53/733082653.db2.gz KXIJRWGXAWEQGZ-QGZVFWFLSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1 ZINC001104306204 733420989 /nfs/dbraw/zinc/42/09/89/733420989.db2.gz QICCZYHZYHFWCZ-ZACQAIPSSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCF)C1 ZINC001104306204 733420991 /nfs/dbraw/zinc/42/09/91/733420991.db2.gz QICCZYHZYHFWCZ-ZACQAIPSSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC)CC[C@@H]32)CC1 ZINC001021739642 733500476 /nfs/dbraw/zinc/50/04/76/733500476.db2.gz KTVPREYCGOPRMH-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023452357 735245525 /nfs/dbraw/zinc/24/55/25/735245525.db2.gz YESWIPGETQBIEB-MRXNPFEDSA-N 2 1 305.466 1.877 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469736 735256786 /nfs/dbraw/zinc/25/67/86/735256786.db2.gz MDEIMGAOEUFRDJ-OAHLLOKOSA-N 2 1 310.401 1.799 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001024438665 735828263 /nfs/dbraw/zinc/82/82/63/735828263.db2.gz UIUNEYAZJIEFLL-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468481 735846412 /nfs/dbraw/zinc/84/64/12/735846412.db2.gz KQFMDEHUYOAPJW-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468481 735846416 /nfs/dbraw/zinc/84/64/16/735846416.db2.gz KQFMDEHUYOAPJW-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024468481 735846417 /nfs/dbraw/zinc/84/64/17/735846417.db2.gz KQFMDEHUYOAPJW-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468481 735846420 /nfs/dbraw/zinc/84/64/20/735846420.db2.gz KQFMDEHUYOAPJW-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024468481 735846423 /nfs/dbraw/zinc/84/64/23/735846423.db2.gz KQFMDEHUYOAPJW-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC001035254721 751361760 /nfs/dbraw/zinc/36/17/60/751361760.db2.gz CBTPTHIXUMEMSV-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035254721 751361768 /nfs/dbraw/zinc/36/17/68/751361768.db2.gz CBTPTHIXUMEMSV-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)CC2 ZINC001035254721 751361775 /nfs/dbraw/zinc/36/17/75/751361775.db2.gz CBTPTHIXUMEMSV-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)CC2 ZINC001035254721 751361780 /nfs/dbraw/zinc/36/17/80/751361780.db2.gz CBTPTHIXUMEMSV-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001025817997 736868949 /nfs/dbraw/zinc/86/89/49/736868949.db2.gz KIBMIBDWVOJUKZ-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025817997 736868952 /nfs/dbraw/zinc/86/89/52/736868952.db2.gz KIBMIBDWVOJUKZ-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025817997 736868955 /nfs/dbraw/zinc/86/89/55/736868955.db2.gz KIBMIBDWVOJUKZ-FIDHJVLJSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001020237025 737005744 /nfs/dbraw/zinc/00/57/44/737005744.db2.gz QYVVUURIUPABLO-RBSFLKMASA-N 2 1 313.873 1.954 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028036627 738956607 /nfs/dbraw/zinc/95/66/07/738956607.db2.gz FYQOBRUCURKGOF-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028036627 738956608 /nfs/dbraw/zinc/95/66/08/738956608.db2.gz FYQOBRUCURKGOF-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001026361095 737419631 /nfs/dbraw/zinc/41/96/31/737419631.db2.gz OGVYQTXBZZPERD-HRCADAONSA-N 2 1 303.450 1.178 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC001027979625 738901416 /nfs/dbraw/zinc/90/14/16/738901416.db2.gz FTIVYLYEXDYZOD-HUUCEWRRSA-N 2 1 302.422 1.602 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001035395560 751465845 /nfs/dbraw/zinc/46/58/45/751465845.db2.gz XSSRVEBGNDESJP-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001035395560 751465847 /nfs/dbraw/zinc/46/58/47/751465847.db2.gz XSSRVEBGNDESJP-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395560 751465853 /nfs/dbraw/zinc/46/58/53/751465853.db2.gz XSSRVEBGNDESJP-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001035395560 751465858 /nfs/dbraw/zinc/46/58/58/751465858.db2.gz XSSRVEBGNDESJP-SJORKVTESA-N 2 1 323.481 1.357 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028593513 739752195 /nfs/dbraw/zinc/75/21/95/739752195.db2.gz ZXKXQVNGCGEGJC-DOTOQJQBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028593513 739752201 /nfs/dbraw/zinc/75/22/01/739752201.db2.gz ZXKXQVNGCGEGJC-DOTOQJQBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028593513 739752207 /nfs/dbraw/zinc/75/22/07/739752207.db2.gz ZXKXQVNGCGEGJC-DOTOQJQBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001028641865 739837740 /nfs/dbraw/zinc/83/77/40/739837740.db2.gz MLTKQTIEBBYRIQ-HOTGVXAUSA-N 2 1 316.449 1.850 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3nccn3C2)C1 ZINC001028641864 739838265 /nfs/dbraw/zinc/83/82/65/739838265.db2.gz MLTKQTIEBBYRIQ-CVEARBPZSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800104 740057950 /nfs/dbraw/zinc/05/79/50/740057950.db2.gz OWRWWRVSSRCOCV-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800104 740057955 /nfs/dbraw/zinc/05/79/55/740057955.db2.gz OWRWWRVSSRCOCV-HZPDHXFCSA-N 2 1 316.449 1.768 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001087700015 740713165 /nfs/dbraw/zinc/71/31/65/740713165.db2.gz WSBFGUUSEVNUAD-LUKYLMHMSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087700015 740713169 /nfs/dbraw/zinc/71/31/69/740713169.db2.gz WSBFGUUSEVNUAD-LUKYLMHMSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1CC ZINC001087700015 740713172 /nfs/dbraw/zinc/71/31/72/740713172.db2.gz WSBFGUUSEVNUAD-LUKYLMHMSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)[C@@H]2CC)CC1 ZINC001087839369 740780206 /nfs/dbraw/zinc/78/02/06/740780206.db2.gz XDDFNCGCJOXHRZ-ZWKOTPCHSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087986270 740922396 /nfs/dbraw/zinc/92/23/96/740922396.db2.gz DMBPPEVLSIKKHQ-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986270 740922399 /nfs/dbraw/zinc/92/23/99/740922399.db2.gz DMBPPEVLSIKKHQ-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087986270 740922401 /nfs/dbraw/zinc/92/24/01/740922401.db2.gz DMBPPEVLSIKKHQ-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106316 741032526 /nfs/dbraw/zinc/03/25/26/741032526.db2.gz VMHFONKXDUOOAL-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106316 741032529 /nfs/dbraw/zinc/03/25/29/741032529.db2.gz VMHFONKXDUOOAL-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106316 741032532 /nfs/dbraw/zinc/03/25/32/741032532.db2.gz VMHFONKXDUOOAL-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106193 741032648 /nfs/dbraw/zinc/03/26/48/741032648.db2.gz PRUQSTFRSXCKDH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106193 741032651 /nfs/dbraw/zinc/03/26/51/741032651.db2.gz PRUQSTFRSXCKDH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)C[C@@H]2C1 ZINC001088106193 741032656 /nfs/dbraw/zinc/03/26/56/741032656.db2.gz PRUQSTFRSXCKDH-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001075881170 741633058 /nfs/dbraw/zinc/63/30/58/741633058.db2.gz HBASLDOHYRBQTH-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC001088574808 741862882 /nfs/dbraw/zinc/86/28/82/741862882.db2.gz RNCVGLBAPQCHFL-CABCVRRESA-N 2 1 319.453 1.213 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4cncn4C3)[C@@H]2C1 ZINC001075968026 742289379 /nfs/dbraw/zinc/28/93/79/742289379.db2.gz ZFZXVZUINIEOTJ-YQQAZPJKSA-N 2 1 314.433 1.554 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768875 742337398 /nfs/dbraw/zinc/33/73/98/742337398.db2.gz IGTAULVTXLFUFU-HYVNUMGLSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1C ZINC001088768875 742337405 /nfs/dbraw/zinc/33/74/05/742337405.db2.gz IGTAULVTXLFUFU-HYVNUMGLSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088811984 742424299 /nfs/dbraw/zinc/42/42/99/742424299.db2.gz GNSQIRGLERRFPC-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)[C@H]1C ZINC001088811984 742424301 /nfs/dbraw/zinc/42/43/01/742424301.db2.gz GNSQIRGLERRFPC-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088811984 742424304 /nfs/dbraw/zinc/42/43/04/742424304.db2.gz GNSQIRGLERRFPC-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088811984 742424306 /nfs/dbraw/zinc/42/43/06/742424306.db2.gz GNSQIRGLERRFPC-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3cncn3C)[C@@H]2C1 ZINC001076517780 742762487 /nfs/dbraw/zinc/76/24/87/742762487.db2.gz XGZDGYKMJNEMCP-GOEBONIOSA-N 2 1 302.422 1.462 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001035742389 751835831 /nfs/dbraw/zinc/83/58/31/751835831.db2.gz WMCVIRITGHLARN-QGZVFWFLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001182614393 743683094 /nfs/dbraw/zinc/68/30/94/743683094.db2.gz FOFZXZOUPZDXHW-SOLBZPMBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001185213822 744181210 /nfs/dbraw/zinc/18/12/10/744181210.db2.gz MSZPTRFMTJYTQY-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC#CCOC)[C@@H](C)C1 ZINC001185446771 744225007 /nfs/dbraw/zinc/22/50/07/744225007.db2.gz OPRHVYWBGIFXRI-IRXDYDNUSA-N 2 1 323.481 1.052 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641778 744421665 /nfs/dbraw/zinc/42/16/65/744421665.db2.gz VEGOEEASQZOZLT-CVEARBPZSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088985475 744429432 /nfs/dbraw/zinc/42/94/32/744429432.db2.gz AFTGOFVXMJBPRC-HIFRSBDPSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC001088985475 744429435 /nfs/dbraw/zinc/42/94/35/744429435.db2.gz AFTGOFVXMJBPRC-HIFRSBDPSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992194829 744678302 /nfs/dbraw/zinc/67/83/02/744678302.db2.gz YADDOJXATJQUJU-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@H]12 ZINC000992194829 744678304 /nfs/dbraw/zinc/67/83/04/744678304.db2.gz YADDOJXATJQUJU-XYJFISCASA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC=C)CC3)CC1 ZINC000992512907 744929274 /nfs/dbraw/zinc/92/92/74/744929274.db2.gz TZDYWHVESVWDGH-MJGOQNOKSA-N 2 1 315.461 1.631 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190325500 745182370 /nfs/dbraw/zinc/18/23/70/745182370.db2.gz XFZAWMQYMARELY-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001099193465 745281174 /nfs/dbraw/zinc/28/11/74/745281174.db2.gz CHVIODDISUTZOU-INIZCTEOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](O)C1 ZINC001083719646 745356868 /nfs/dbraw/zinc/35/68/68/745356868.db2.gz NPCHNZORRYEOPS-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](O)C1 ZINC001083719646 745356872 /nfs/dbraw/zinc/35/68/72/745356872.db2.gz NPCHNZORRYEOPS-BBWFWOEESA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=C)Cl)[C@H](C)C1 ZINC001106266432 745493796 /nfs/dbraw/zinc/49/37/96/745493796.db2.gz JJCIVUJTLALDTK-BMFZPTHFSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=C)Cl)[C@H](C)C1 ZINC001106266432 745493799 /nfs/dbraw/zinc/49/37/99/745493799.db2.gz JJCIVUJTLALDTK-BMFZPTHFSA-N 2 1 323.868 1.521 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106764943 746044460 /nfs/dbraw/zinc/04/44/60/746044460.db2.gz GHEFULPJELUHFN-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001194247310 746320493 /nfs/dbraw/zinc/32/04/93/746320493.db2.gz WJDXWBOUFIHNJC-FUHWJXTLSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993992853 746413638 /nfs/dbraw/zinc/41/36/38/746413638.db2.gz XDNRGPODXPENQU-GOEBONIOSA-N 2 1 319.453 1.213 20 30 DDEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089620840 747484405 /nfs/dbraw/zinc/48/44/05/747484405.db2.gz HGNLCOBGDFNAAG-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089620840 747484409 /nfs/dbraw/zinc/48/44/09/747484409.db2.gz HGNLCOBGDFNAAG-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089620840 747484414 /nfs/dbraw/zinc/48/44/14/747484414.db2.gz HGNLCOBGDFNAAG-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089620840 747484417 /nfs/dbraw/zinc/48/44/17/747484417.db2.gz HGNLCOBGDFNAAG-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001007618901 752241616 /nfs/dbraw/zinc/24/16/16/752241616.db2.gz LTCGDEKGFRORHE-INIZCTEOSA-N 2 1 303.450 1.466 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CCCO1 ZINC001200480325 748254697 /nfs/dbraw/zinc/25/46/97/748254697.db2.gz ZPZDYKLYNYFVMR-IRXDYDNUSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200808031 748352258 /nfs/dbraw/zinc/35/22/58/748352258.db2.gz XZLROCGXRDACTL-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCO1 ZINC001201402096 748498323 /nfs/dbraw/zinc/49/83/23/748498323.db2.gz APICXKOEAOWGSW-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075796 748499826 /nfs/dbraw/zinc/49/98/26/748499826.db2.gz FDHPXEISDDAXIK-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075796 748499830 /nfs/dbraw/zinc/49/98/30/748499830.db2.gz FDHPXEISDDAXIK-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001110683151 748890717 /nfs/dbraw/zinc/89/07/17/748890717.db2.gz SLRHJVIPBQBWBE-HZMVEIRTSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001110683151 748890722 /nfs/dbraw/zinc/89/07/22/748890722.db2.gz SLRHJVIPBQBWBE-HZMVEIRTSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001110683151 748890726 /nfs/dbraw/zinc/89/07/26/748890726.db2.gz SLRHJVIPBQBWBE-HZMVEIRTSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202503879 749009632 /nfs/dbraw/zinc/00/96/32/749009632.db2.gz OUGUQUAHHWBQPY-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001044781720 749124993 /nfs/dbraw/zinc/12/49/93/749124993.db2.gz VVFCUQCRQYFPDW-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033358964 749265534 /nfs/dbraw/zinc/26/55/34/749265534.db2.gz SBUPSSSBDUPWGI-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033358964 749265538 /nfs/dbraw/zinc/26/55/38/749265538.db2.gz SBUPSSSBDUPWGI-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358964 749265540 /nfs/dbraw/zinc/26/55/40/749265540.db2.gz SBUPSSSBDUPWGI-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033358964 749265546 /nfs/dbraw/zinc/26/55/46/749265546.db2.gz SBUPSSSBDUPWGI-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1(C)C ZINC000996300215 749497064 /nfs/dbraw/zinc/49/70/64/749497064.db2.gz KJGODJNUYZFAFB-KSSFIOAISA-N 2 1 323.456 1.659 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001095530817 750014539 /nfs/dbraw/zinc/01/45/39/750014539.db2.gz VKUQZWUDXRKXLJ-BDXSIMOUSA-N 2 1 317.477 1.709 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001095533515 750019807 /nfs/dbraw/zinc/01/98/07/750019807.db2.gz AZPDRJAPVLOSRF-MHORFTMASA-N 2 1 317.477 1.994 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001034047112 750313418 /nfs/dbraw/zinc/31/34/18/750313418.db2.gz ZDXRINFVYBPNRT-KRWDZBQOSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437996 750435439 /nfs/dbraw/zinc/43/54/39/750435439.db2.gz JYIVGMFYJZVQGS-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034437996 750435442 /nfs/dbraw/zinc/43/54/42/750435442.db2.gz JYIVGMFYJZVQGS-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001111305238 750439915 /nfs/dbraw/zinc/43/99/15/750439915.db2.gz INIZQULYMWCNCA-ZACQAIPSSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CC#CCOC ZINC001111305238 750439920 /nfs/dbraw/zinc/43/99/20/750439920.db2.gz INIZQULYMWCNCA-ZACQAIPSSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#CCOC ZINC001111305238 750439923 /nfs/dbraw/zinc/43/99/23/750439923.db2.gz INIZQULYMWCNCA-ZACQAIPSSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#CCOC ZINC001111305238 750439925 /nfs/dbraw/zinc/43/99/25/750439925.db2.gz INIZQULYMWCNCA-ZACQAIPSSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001034510986 750506346 /nfs/dbraw/zinc/50/63/46/750506346.db2.gz KZRALLBPTRGVPS-AEFFLSMTSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001034510986 750506349 /nfs/dbraw/zinc/50/63/49/750506349.db2.gz KZRALLBPTRGVPS-AEFFLSMTSA-N 2 1 303.450 1.466 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001034510986 750506352 /nfs/dbraw/zinc/50/63/52/750506352.db2.gz KZRALLBPTRGVPS-AEFFLSMTSA-N 2 1 303.450 1.466 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034534496 750536457 /nfs/dbraw/zinc/53/64/57/750536457.db2.gz LIIULVYHDLQEDT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034534496 750536461 /nfs/dbraw/zinc/53/64/61/750536461.db2.gz LIIULVYHDLQEDT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034534496 750536465 /nfs/dbraw/zinc/53/64/65/750536465.db2.gz LIIULVYHDLQEDT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034534496 750536467 /nfs/dbraw/zinc/53/64/67/750536467.db2.gz LIIULVYHDLQEDT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001034538851 750542218 /nfs/dbraw/zinc/54/22/18/750542218.db2.gz SKYXQLLVDFYVQX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538851 750542221 /nfs/dbraw/zinc/54/22/21/750542221.db2.gz SKYXQLLVDFYVQX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001034538851 750542224 /nfs/dbraw/zinc/54/22/24/750542224.db2.gz SKYXQLLVDFYVQX-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399602 762060609 /nfs/dbraw/zinc/06/06/09/762060609.db2.gz SPSFCHHEWOASDG-KRWDZBQOSA-N 2 1 309.454 1.256 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089908327 750857765 /nfs/dbraw/zinc/85/77/65/750857765.db2.gz TTXJGJCGRQJRQL-MHORFTMASA-N 2 1 315.461 1.274 20 30 DDEDMP C=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC000997405372 750911622 /nfs/dbraw/zinc/91/16/22/750911622.db2.gz DBZIGOOZLLVZRU-QAPCUYQASA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001114731494 751032731 /nfs/dbraw/zinc/03/27/31/751032731.db2.gz WOWLNLQYMZNYNK-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001114731494 751032737 /nfs/dbraw/zinc/03/27/37/751032737.db2.gz WOWLNLQYMZNYNK-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001114731494 751032745 /nfs/dbraw/zinc/03/27/45/751032745.db2.gz WOWLNLQYMZNYNK-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001114731494 751032750 /nfs/dbraw/zinc/03/27/50/751032750.db2.gz WOWLNLQYMZNYNK-VVLHAWIVSA-N 2 1 321.465 1.108 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035225791 751302263 /nfs/dbraw/zinc/30/22/63/751302263.db2.gz AAVYABSSWLTMCS-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035225791 751302267 /nfs/dbraw/zinc/30/22/67/751302267.db2.gz AAVYABSSWLTMCS-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC001035225791 751302271 /nfs/dbraw/zinc/30/22/71/751302271.db2.gz AAVYABSSWLTMCS-IAGOWNOFSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC001035227069 751306377 /nfs/dbraw/zinc/30/63/77/751306377.db2.gz NMCDIQSCBGNCKE-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227069 751306382 /nfs/dbraw/zinc/30/63/82/751306382.db2.gz NMCDIQSCBGNCKE-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)CC2 ZINC001035227069 751306388 /nfs/dbraw/zinc/30/63/88/751306388.db2.gz NMCDIQSCBGNCKE-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001035245878 751328102 /nfs/dbraw/zinc/32/81/02/751328102.db2.gz GTHJAPJMMXPXBU-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)CC2 ZINC001035245878 751328110 /nfs/dbraw/zinc/32/81/10/751328110.db2.gz GTHJAPJMMXPXBU-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035245878 751328116 /nfs/dbraw/zinc/32/81/16/751328116.db2.gz GTHJAPJMMXPXBU-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000997870153 751330211 /nfs/dbraw/zinc/33/02/11/751330211.db2.gz GWJUNZCCMUIWDB-GOEBONIOSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000997870153 751330218 /nfs/dbraw/zinc/33/02/18/751330218.db2.gz GWJUNZCCMUIWDB-GOEBONIOSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008344790 752684085 /nfs/dbraw/zinc/68/40/85/752684085.db2.gz TTXQRKUXWMURFL-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008344790 752684088 /nfs/dbraw/zinc/68/40/88/752684088.db2.gz TTXQRKUXWMURFL-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000999369020 752871576 /nfs/dbraw/zinc/87/15/76/752871576.db2.gz IMINYKPOWVQJPI-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000765970 762174315 /nfs/dbraw/zinc/17/43/15/762174315.db2.gz FQULVFJUVQEQJZ-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000765970 762174319 /nfs/dbraw/zinc/17/43/19/762174319.db2.gz FQULVFJUVQEQJZ-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000765970 762174323 /nfs/dbraw/zinc/17/43/23/762174323.db2.gz FQULVFJUVQEQJZ-SFHVURJKSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001000768068 762177120 /nfs/dbraw/zinc/17/71/20/762177120.db2.gz UANQCBYBBWXALQ-KRWDZBQOSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768068 762177123 /nfs/dbraw/zinc/17/71/23/762177123.db2.gz UANQCBYBBWXALQ-KRWDZBQOSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001000768068 762177124 /nfs/dbraw/zinc/17/71/24/762177124.db2.gz UANQCBYBBWXALQ-KRWDZBQOSA-N 2 1 303.450 1.346 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991966 753025333 /nfs/dbraw/zinc/02/53/33/753025333.db2.gz DSKLGWOGJUWSIV-MRXNPFEDSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001008991966 753025340 /nfs/dbraw/zinc/02/53/40/753025340.db2.gz DSKLGWOGJUWSIV-MRXNPFEDSA-N 2 1 323.400 1.485 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)CCc3ncc[nH]3)CC[C@H]21 ZINC001036703074 753499608 /nfs/dbraw/zinc/49/96/08/753499608.db2.gz WKUAHUHZHACQKJ-LSDHHAIUSA-N 2 1 300.406 1.288 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757210 754496562 /nfs/dbraw/zinc/49/65/62/754496562.db2.gz OEFLJXAGZUMRTB-QGZVFWFLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080325154 755836308 /nfs/dbraw/zinc/83/63/08/755836308.db2.gz SHSSLHJHQYZSTJ-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080325154 755836314 /nfs/dbraw/zinc/83/63/14/755836314.db2.gz SHSSLHJHQYZSTJ-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325154 755836321 /nfs/dbraw/zinc/83/63/21/755836321.db2.gz SHSSLHJHQYZSTJ-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080325154 755836327 /nfs/dbraw/zinc/83/63/27/755836327.db2.gz SHSSLHJHQYZSTJ-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001040210114 762440282 /nfs/dbraw/zinc/44/02/82/762440282.db2.gz OKGKNYIXPHSKJJ-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210114 762440284 /nfs/dbraw/zinc/44/02/84/762440284.db2.gz OKGKNYIXPHSKJJ-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001040210114 762440287 /nfs/dbraw/zinc/44/02/87/762440287.db2.gz OKGKNYIXPHSKJJ-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001082525301 756844380 /nfs/dbraw/zinc/84/43/80/756844380.db2.gz IUYVRAUHAOZFHA-DAXOMENPSA-N 2 1 317.437 1.413 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001082525301 756844383 /nfs/dbraw/zinc/84/43/83/756844383.db2.gz IUYVRAUHAOZFHA-DAXOMENPSA-N 2 1 317.437 1.413 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315384 757086282 /nfs/dbraw/zinc/08/62/82/757086282.db2.gz XHMQOEZDNUJOMK-OAGGEKHMSA-N 2 1 301.434 1.217 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001097315384 757086290 /nfs/dbraw/zinc/08/62/90/757086290.db2.gz XHMQOEZDNUJOMK-OAGGEKHMSA-N 2 1 301.434 1.217 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016650729 757234625 /nfs/dbraw/zinc/23/46/25/757234625.db2.gz BGSMXQZQDLALIL-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001016702295 757280832 /nfs/dbraw/zinc/28/08/32/757280832.db2.gz NYRCCEMELLCKTL-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040451195 762541062 /nfs/dbraw/zinc/54/10/62/762541062.db2.gz BWVIZVVPPGOTCA-GOSISDBHSA-N 2 1 321.465 1.209 20 30 DDEDMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001040451195 762541064 /nfs/dbraw/zinc/54/10/64/762541064.db2.gz BWVIZVVPPGOTCA-GOSISDBHSA-N 2 1 321.465 1.209 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001017556212 758024801 /nfs/dbraw/zinc/02/48/01/758024801.db2.gz CMTSCUBDBFVYEB-BBWFWOEESA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938946 758081782 /nfs/dbraw/zinc/08/17/82/758081782.db2.gz MCQJTDVALHCODD-ZACQAIPSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938946 758081791 /nfs/dbraw/zinc/08/17/91/758081791.db2.gz MCQJTDVALHCODD-ZACQAIPSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938946 758081800 /nfs/dbraw/zinc/08/18/00/758081800.db2.gz MCQJTDVALHCODD-ZACQAIPSSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053798933 758826842 /nfs/dbraw/zinc/82/68/42/758826842.db2.gz HMEUHQITYMOLLX-CVEARBPZSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053798933 758826852 /nfs/dbraw/zinc/82/68/52/758826852.db2.gz HMEUHQITYMOLLX-CVEARBPZSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CO2 ZINC001053906190 758938530 /nfs/dbraw/zinc/93/85/30/758938530.db2.gz UNYMOWQNNAXCIJ-HRCADAONSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CO2 ZINC001053906190 758938538 /nfs/dbraw/zinc/93/85/38/758938538.db2.gz UNYMOWQNNAXCIJ-HRCADAONSA-N 2 1 321.465 1.252 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001054149042 759229565 /nfs/dbraw/zinc/22/95/65/759229565.db2.gz ZLIVDXJIJMKPIQ-HKUYNNGSSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001085308882 759252272 /nfs/dbraw/zinc/25/22/72/759252272.db2.gz NFFUQGSMPUHQCK-ZACQAIPSSA-N 2 1 323.481 1.689 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001085308882 759252280 /nfs/dbraw/zinc/25/22/80/759252280.db2.gz NFFUQGSMPUHQCK-ZACQAIPSSA-N 2 1 323.481 1.689 20 30 DDEDMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639481 759911342 /nfs/dbraw/zinc/91/13/42/759911342.db2.gz PPQGIGDWZBPUFO-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001085639481 759911347 /nfs/dbraw/zinc/91/13/47/759911347.db2.gz PPQGIGDWZBPUFO-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001085639481 759911351 /nfs/dbraw/zinc/91/13/51/759911351.db2.gz PPQGIGDWZBPUFO-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001085639481 759911356 /nfs/dbraw/zinc/91/13/56/759911356.db2.gz PPQGIGDWZBPUFO-IRXDYDNUSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1C ZINC001054827886 760115855 /nfs/dbraw/zinc/11/58/55/760115855.db2.gz YPIVLJGEJDWPTP-GOEBONIOSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001054831623 760118363 /nfs/dbraw/zinc/11/83/63/760118363.db2.gz ZBVAUBPRFUYQET-WFASDCNBSA-N 2 1 306.410 1.362 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000148797 761541454 /nfs/dbraw/zinc/54/14/54/761541454.db2.gz JWJDGWDHGDEJMW-KRWDZBQOSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001001405780 762833805 /nfs/dbraw/zinc/83/38/05/762833805.db2.gz UKZVEXAAQAEOQZ-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=C)C)CC1 ZINC001001493308 762912932 /nfs/dbraw/zinc/91/29/32/762912932.db2.gz YBOQGXPASOOEBN-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=C)C)CC1 ZINC001001493308 762912938 /nfs/dbraw/zinc/91/29/38/762912938.db2.gz YBOQGXPASOOEBN-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041278800 762929081 /nfs/dbraw/zinc/92/90/81/762929081.db2.gz YRLVEBCZHMITHB-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041278800 762929084 /nfs/dbraw/zinc/92/90/84/762929084.db2.gz YRLVEBCZHMITHB-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1 ZINC001041278800 762929086 /nfs/dbraw/zinc/92/90/86/762929086.db2.gz YRLVEBCZHMITHB-HKUYNNGSSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001041399607 763005223 /nfs/dbraw/zinc/00/52/23/763005223.db2.gz PYAGNMQEBJUODN-SFHVURJKSA-N 2 1 315.461 1.420 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041480545 763065993 /nfs/dbraw/zinc/06/59/93/763065993.db2.gz UANJAVGDXXDBAD-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001041480545 763065999 /nfs/dbraw/zinc/06/59/99/763065999.db2.gz UANJAVGDXXDBAD-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124524 763174529 /nfs/dbraw/zinc/17/45/29/763174529.db2.gz JHTHBXPQFNHIAI-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124524 763174536 /nfs/dbraw/zinc/17/45/36/763174536.db2.gz JHTHBXPQFNHIAI-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001050124524 763174539 /nfs/dbraw/zinc/17/45/39/763174539.db2.gz JHTHBXPQFNHIAI-LUKYLMHMSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001050175354 763264702 /nfs/dbraw/zinc/26/47/02/763264702.db2.gz PREDJDDJVYVMTN-ZWKOTPCHSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001041770115 763306214 /nfs/dbraw/zinc/30/62/14/763306214.db2.gz XJKOOOSASPGVTK-LJQANCHMSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041845712 763401579 /nfs/dbraw/zinc/40/15/79/763401579.db2.gz OGXPRNKFRGJNNK-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845712 763401583 /nfs/dbraw/zinc/40/15/83/763401583.db2.gz OGXPRNKFRGJNNK-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001041845712 763401585 /nfs/dbraw/zinc/40/15/85/763401585.db2.gz OGXPRNKFRGJNNK-MJGOQNOKSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169992041 763554121 /nfs/dbraw/zinc/55/41/21/763554121.db2.gz UKPIAHVEKQQBKC-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169992041 763554125 /nfs/dbraw/zinc/55/41/25/763554125.db2.gz UKPIAHVEKQQBKC-JKSUJKDBSA-N 2 1 311.470 1.548 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523724 763704746 /nfs/dbraw/zinc/70/47/46/763704746.db2.gz HUAWTEOIZYGTKT-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC001042156638 763720171 /nfs/dbraw/zinc/72/01/71/763720171.db2.gz JTMSMPZTFKTLRZ-CRAIPNDOSA-N 2 1 322.412 1.894 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042271041 763847254 /nfs/dbraw/zinc/84/72/54/763847254.db2.gz VUZHVNCIPPVBNB-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001042271041 763847263 /nfs/dbraw/zinc/84/72/63/763847263.db2.gz VUZHVNCIPPVBNB-SJORKVTESA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100140823 764381454 /nfs/dbraw/zinc/38/14/54/764381454.db2.gz DLXSSFYKAJFCNH-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)C[C@H](C)O2 ZINC001131678342 768269062 /nfs/dbraw/zinc/26/90/62/768269062.db2.gz XNMZDHHWUNYYGS-MAUKXSAKSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131693123 768276187 /nfs/dbraw/zinc/27/61/87/768276187.db2.gz NBIVZCUBXWFSHI-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131693123 768276189 /nfs/dbraw/zinc/27/61/89/768276189.db2.gz NBIVZCUBXWFSHI-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131693123 768276191 /nfs/dbraw/zinc/27/61/91/768276191.db2.gz NBIVZCUBXWFSHI-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001044654365 765728458 /nfs/dbraw/zinc/72/84/58/765728458.db2.gz LYYGUPIIAZLEMO-QWHCGFSZSA-N 2 1 306.410 1.505 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052444500 765835276 /nfs/dbraw/zinc/83/52/76/765835276.db2.gz JHXSURGCZMPIGO-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052444500 765835284 /nfs/dbraw/zinc/83/52/84/765835284.db2.gz JHXSURGCZMPIGO-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052444500 765835291 /nfs/dbraw/zinc/83/52/91/765835291.db2.gz JHXSURGCZMPIGO-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447829 765836799 /nfs/dbraw/zinc/83/67/99/765836799.db2.gz NHFCSJBWSVIDBN-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052447829 765836805 /nfs/dbraw/zinc/83/68/05/765836805.db2.gz NHFCSJBWSVIDBN-CABCVRRESA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001052651853 766038705 /nfs/dbraw/zinc/03/87/05/766038705.db2.gz NQUNQFJRBOMZBH-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651853 766038715 /nfs/dbraw/zinc/03/87/15/766038715.db2.gz NQUNQFJRBOMZBH-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001052651853 766038719 /nfs/dbraw/zinc/03/87/19/766038719.db2.gz NQUNQFJRBOMZBH-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653649 766039538 /nfs/dbraw/zinc/03/95/38/766039538.db2.gz OLQAJAWDKKICBM-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653649 766039543 /nfs/dbraw/zinc/03/95/43/766039543.db2.gz OLQAJAWDKKICBM-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653649 766039549 /nfs/dbraw/zinc/03/95/49/766039549.db2.gz OLQAJAWDKKICBM-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653649 766039554 /nfs/dbraw/zinc/03/95/54/766039554.db2.gz OLQAJAWDKKICBM-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663457 766051520 /nfs/dbraw/zinc/05/15/20/766051520.db2.gz SCHAZKDADHJYSR-INIZCTEOSA-N 2 1 317.433 1.949 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001045506404 766362499 /nfs/dbraw/zinc/36/24/99/766362499.db2.gz MPSBWNDJKDZTMH-CSLYMUCUSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046377580 767487431 /nfs/dbraw/zinc/48/74/31/767487431.db2.gz MUIOUQFMPCZEER-PBHICJAKSA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001046377580 767487436 /nfs/dbraw/zinc/48/74/36/767487436.db2.gz MUIOUQFMPCZEER-PBHICJAKSA-N 2 1 300.406 1.364 20 30 DDEDMP C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046619958 767745521 /nfs/dbraw/zinc/74/55/21/767745521.db2.gz FMAQWULUYKKREU-WMLDXEAASA-N 2 1 302.422 1.521 20 30 DDEDMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046619958 767745525 /nfs/dbraw/zinc/74/55/25/767745525.db2.gz FMAQWULUYKKREU-WMLDXEAASA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132106149 768632038 /nfs/dbraw/zinc/63/20/38/768632038.db2.gz QRPXVGRVEOLAOO-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[C@H]1C ZINC001132106149 768632043 /nfs/dbraw/zinc/63/20/43/768632043.db2.gz QRPXVGRVEOLAOO-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132106149 768632048 /nfs/dbraw/zinc/63/20/48/768632048.db2.gz QRPXVGRVEOLAOO-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311786 768750201 /nfs/dbraw/zinc/75/02/01/768750201.db2.gz YDAPAIUASOJRTM-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311786 768750205 /nfs/dbraw/zinc/75/02/05/768750205.db2.gz YDAPAIUASOJRTM-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[C@H]1C ZINC001132311786 768750207 /nfs/dbraw/zinc/75/02/07/768750207.db2.gz YDAPAIUASOJRTM-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377536 768795519 /nfs/dbraw/zinc/79/55/19/768795519.db2.gz YFHXKQJJURQRMN-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132407518 768812915 /nfs/dbraw/zinc/81/29/15/768812915.db2.gz XREKRDRVHAWNLM-JKSUJKDBSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976728 769379017 /nfs/dbraw/zinc/37/90/17/769379017.db2.gz FSBZZIRKMRNHEZ-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001048537827 769507366 /nfs/dbraw/zinc/50/73/66/769507366.db2.gz ZKQLMPMKCCBVED-NQNKBUKLSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001048537827 769507376 /nfs/dbraw/zinc/50/73/76/769507376.db2.gz ZKQLMPMKCCBVED-NQNKBUKLSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537827 769507386 /nfs/dbraw/zinc/50/73/86/769507386.db2.gz ZKQLMPMKCCBVED-NQNKBUKLSA-N 2 1 321.465 1.251 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001048537827 769507395 /nfs/dbraw/zinc/50/73/95/769507395.db2.gz ZKQLMPMKCCBVED-NQNKBUKLSA-N 2 1 321.465 1.251 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888305 770056530 /nfs/dbraw/zinc/05/65/30/770056530.db2.gz NDOWSCSRXWTDKS-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888305 770056543 /nfs/dbraw/zinc/05/65/43/770056543.db2.gz NDOWSCSRXWTDKS-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888305 770056557 /nfs/dbraw/zinc/05/65/57/770056557.db2.gz NDOWSCSRXWTDKS-XMTFNYHQSA-N 2 1 315.461 1.417 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048976321 770198936 /nfs/dbraw/zinc/19/89/36/770198936.db2.gz ICZRFTGUDITLSN-IYBDPMFKSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@H]2C1 ZINC001049097982 770369155 /nfs/dbraw/zinc/36/91/55/770369155.db2.gz ZZGLLKDLHPSTRA-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097982 770369163 /nfs/dbraw/zinc/36/91/63/770369163.db2.gz ZZGLLKDLHPSTRA-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001049097982 770369172 /nfs/dbraw/zinc/36/91/72/770369172.db2.gz ZZGLLKDLHPSTRA-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001133869649 770392137 /nfs/dbraw/zinc/39/21/37/770392137.db2.gz IDPXNEXACHTZFN-SWLSCSKDSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=C)C)C2)CC1 ZINC001072096296 770537552 /nfs/dbraw/zinc/53/75/52/770537552.db2.gz XFGLDTVQYXECPR-FUHWJXTLSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2C1 ZINC001049231874 770576679 /nfs/dbraw/zinc/57/66/79/770576679.db2.gz NLUPUVIHLJOFSW-LUKYLMHMSA-N 2 1 303.450 1.273 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049709259 771102359 /nfs/dbraw/zinc/10/23/59/771102359.db2.gz IAGHEQZGTMYEFA-IXDOHACOSA-N 2 1 305.466 1.661 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001049903836 771247612 /nfs/dbraw/zinc/24/76/12/771247612.db2.gz ZYMCPFHVGDKORI-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001049903836 771247616 /nfs/dbraw/zinc/24/76/16/771247616.db2.gz ZYMCPFHVGDKORI-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135020665 771281399 /nfs/dbraw/zinc/28/13/99/771281399.db2.gz ITZXYADIATUASP-LSDHHAIUSA-N 2 1 316.449 1.658 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C(C)C)CC1 ZINC001096605120 771284943 /nfs/dbraw/zinc/28/49/43/771284943.db2.gz BNMKRARZBHTBHQ-IKGGRYGDSA-N 2 1 303.450 1.462 20 30 DDEDMP C=CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028046 771285199 /nfs/dbraw/zinc/28/51/99/771285199.db2.gz BMZCZGHUAVFSKU-ZIAGYGMSSA-N 2 1 308.426 1.267 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499783 772417901 /nfs/dbraw/zinc/41/79/01/772417901.db2.gz INEXZIGJCKJVNH-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160499783 772417905 /nfs/dbraw/zinc/41/79/05/772417905.db2.gz INEXZIGJCKJVNH-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001171235173 772657884 /nfs/dbraw/zinc/65/78/84/772657884.db2.gz FQUGKPPOMSFRHK-DLBZAZTESA-N 2 1 307.482 1.862 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091530851 772806507 /nfs/dbraw/zinc/80/65/07/772806507.db2.gz IBDGFQRBKYIAIP-YCPHGPKFSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091530851 772806509 /nfs/dbraw/zinc/80/65/09/772806509.db2.gz IBDGFQRBKYIAIP-YCPHGPKFSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530851 772806511 /nfs/dbraw/zinc/80/65/11/772806511.db2.gz IBDGFQRBKYIAIP-YCPHGPKFSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091530851 772806513 /nfs/dbraw/zinc/80/65/13/772806513.db2.gz IBDGFQRBKYIAIP-YCPHGPKFSA-N 2 1 311.857 1.613 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](F)C[NH+](CC)CC)C2)C1 ZINC001147646845 773189684 /nfs/dbraw/zinc/18/96/84/773189684.db2.gz GJELRVYLUBUIJK-OAHLLOKOSA-N 2 1 311.445 1.777 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001148611612 773533771 /nfs/dbraw/zinc/53/37/71/773533771.db2.gz GHHFIYSJPYZLMW-UHFFFAOYSA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C[C@]2(C)C1 ZINC001092071474 773935678 /nfs/dbraw/zinc/93/56/78/773935678.db2.gz XSJIVQXXBIFXCZ-AOIWGVFYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071474 773935683 /nfs/dbraw/zinc/93/56/83/773935683.db2.gz XSJIVQXXBIFXCZ-AOIWGVFYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001092071474 773935689 /nfs/dbraw/zinc/93/56/89/773935689.db2.gz XSJIVQXXBIFXCZ-AOIWGVFYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302305 774053404 /nfs/dbraw/zinc/05/34/04/774053404.db2.gz XVQWKEQKRHZONK-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302305 774053410 /nfs/dbraw/zinc/05/34/10/774053410.db2.gz XVQWKEQKRHZONK-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302305 774053414 /nfs/dbraw/zinc/05/34/14/774053414.db2.gz XVQWKEQKRHZONK-AOIWGVFYSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036736922 774430245 /nfs/dbraw/zinc/43/02/45/774430245.db2.gz JFHWUPDCWCAYIC-WBVHZDCISA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773033 774566863 /nfs/dbraw/zinc/56/68/63/774566863.db2.gz GNDWSNYAMPEAHF-HUUCEWRRSA-N 2 1 322.840 1.867 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@H]21 ZINC001036773033 774566868 /nfs/dbraw/zinc/56/68/68/774566868.db2.gz GNDWSNYAMPEAHF-HUUCEWRRSA-N 2 1 322.840 1.867 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC)CC1 ZINC001098460355 774586914 /nfs/dbraw/zinc/58/69/14/774586914.db2.gz AJKSAIVGFSEMJP-KURKYZTESA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C(C)C)C3)CC1 ZINC001099174238 774882322 /nfs/dbraw/zinc/88/23/22/774882322.db2.gz FMCWJTZURIDSHR-HKUYNNGSSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001099518964 775014726 /nfs/dbraw/zinc/01/47/26/775014726.db2.gz DAZGHMCWFXYNKT-QAETUUGQSA-N 2 1 315.461 1.130 20 30 DDEDMP C=CCCC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899138 775398793 /nfs/dbraw/zinc/39/87/93/775398793.db2.gz NHTOSJNUFQUHQL-GJZGRUSLSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899138 775398803 /nfs/dbraw/zinc/39/88/03/775398803.db2.gz NHTOSJNUFQUHQL-GJZGRUSLSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899138 775398814 /nfs/dbraw/zinc/39/88/14/775398814.db2.gz NHTOSJNUFQUHQL-GJZGRUSLSA-N 2 1 311.470 1.234 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CC=C)C2)CC1 ZINC001036902592 776076160 /nfs/dbraw/zinc/07/61/60/776076160.db2.gz MRIYKQCVAIWLFL-QZTJIDSGSA-N 2 1 315.461 1.440 20 30 DDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001172301464 776743736 /nfs/dbraw/zinc/74/37/36/776743736.db2.gz PELIIOXNGWWBEV-INIZCTEOSA-N 2 1 300.450 1.716 20 30 DDEDMP C#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001101575248 777264810 /nfs/dbraw/zinc/26/48/10/777264810.db2.gz ZLUOIAQUFDWWGZ-WBVHZDCISA-N 2 1 319.493 1.672 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001150318577 777404004 /nfs/dbraw/zinc/40/40/04/777404004.db2.gz RTFRFMXJLROCSR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150318577 777404006 /nfs/dbraw/zinc/40/40/06/777404006.db2.gz RTFRFMXJLROCSR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001150318577 777404008 /nfs/dbraw/zinc/40/40/08/777404008.db2.gz RTFRFMXJLROCSR-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001175264362 777738457 /nfs/dbraw/zinc/73/84/57/777738457.db2.gz UBBSNZHPQJDGBF-ZBFHGGJFSA-N 2 1 316.449 1.652 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102289552 778011657 /nfs/dbraw/zinc/01/16/57/778011657.db2.gz PATGKSCDROMNND-HZPDHXFCSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583040 778223304 /nfs/dbraw/zinc/22/33/04/778223304.db2.gz MRKSAFLTXCKFQX-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cc(F)ccc1C#N ZINC001176981023 778366029 /nfs/dbraw/zinc/36/60/29/778366029.db2.gz XEIILQHSTBFCRR-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185806 778697802 /nfs/dbraw/zinc/69/78/02/778697802.db2.gz RCPQWYPGLKDBIR-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103376327 778829118 /nfs/dbraw/zinc/82/91/18/778829118.db2.gz VNVOPLDAKOCAKD-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178536237 779083862 /nfs/dbraw/zinc/08/38/62/779083862.db2.gz RSCOGAOJHQDTSJ-JKSUJKDBSA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCCC1 ZINC001120074764 781749194 /nfs/dbraw/zinc/74/91/94/781749194.db2.gz ODXLQYXCDUDAMY-SFHVURJKSA-N 2 1 317.477 1.904 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001267175624 837472565 /nfs/dbraw/zinc/47/25/65/837472565.db2.gz XCMCLRNOHMACLM-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001266530525 836422201 /nfs/dbraw/zinc/42/22/01/836422201.db2.gz HJIOGKPUTUHDAV-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001271912348 844199941 /nfs/dbraw/zinc/19/99/41/844199941.db2.gz RTPKOFOONGTNDF-KRWDZBQOSA-N 2 1 322.497 1.217 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267582173 838361765 /nfs/dbraw/zinc/36/17/65/838361765.db2.gz HIQUHJVFCBKSGM-HZPDHXFCSA-N 2 1 311.445 1.470 20 30 DDEDMP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268498176 840308309 /nfs/dbraw/zinc/30/83/09/840308309.db2.gz VAUJTVXNNAEWSR-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCOCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001269742752 841999359 /nfs/dbraw/zinc/99/93/59/841999359.db2.gz VSCSMXAXBHJBPJ-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269742752 841999363 /nfs/dbraw/zinc/99/93/63/841999363.db2.gz VSCSMXAXBHJBPJ-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001269742752 841999365 /nfs/dbraw/zinc/99/93/65/841999365.db2.gz VSCSMXAXBHJBPJ-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001280165362 842309148 /nfs/dbraw/zinc/30/91/48/842309148.db2.gz WNBNNTOXWYHWAT-ULQDDVLXSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC[NH+](CC#C)CC1 ZINC001270314984 842481877 /nfs/dbraw/zinc/48/18/77/842481877.db2.gz BXOMMVBYTNVSTB-SFHVURJKSA-N 2 1 315.461 1.419 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001270826955 842938035 /nfs/dbraw/zinc/93/80/35/842938035.db2.gz ZRZXCVFQSJTQLE-UHFFFAOYSA-N 2 1 313.445 1.770 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC001270826955 842938041 /nfs/dbraw/zinc/93/80/41/842938041.db2.gz ZRZXCVFQSJTQLE-UHFFFAOYSA-N 2 1 313.445 1.770 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001271102306 843213328 /nfs/dbraw/zinc/21/33/28/843213328.db2.gz ZAVOKJTWEHAPRE-CYBMUJFWSA-N 2 1 301.381 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001271102306 843213335 /nfs/dbraw/zinc/21/33/35/843213335.db2.gz ZAVOKJTWEHAPRE-CYBMUJFWSA-N 2 1 301.381 1.035 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001154838801 861502113 /nfs/dbraw/zinc/50/21/13/861502113.db2.gz WROISJDPCCJYAH-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001154838801 861502120 /nfs/dbraw/zinc/50/21/20/861502120.db2.gz WROISJDPCCJYAH-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001154838801 861502124 /nfs/dbraw/zinc/50/21/24/861502124.db2.gz WROISJDPCCJYAH-CVEARBPZSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCN1C[C@]2(CC[N@@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870293 847571430 /nfs/dbraw/zinc/57/14/30/847571430.db2.gz NCWVGCZPBIOAOY-QGZVFWFLSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCN1C[C@]2(CC[N@H+](CC(C)(C)C[NH+](C)C)C2)OCC1=O ZINC001272870293 847571440 /nfs/dbraw/zinc/57/14/40/847571440.db2.gz NCWVGCZPBIOAOY-QGZVFWFLSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C)CN1CC[C@]2(CC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001272888249 847591312 /nfs/dbraw/zinc/59/13/12/847591312.db2.gz SQPITDLELUQUCT-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2CCC2CC[NH+](C)CC2)C1=O ZINC001273039365 847825068 /nfs/dbraw/zinc/82/50/68/847825068.db2.gz PKGVJQSWANHIJD-SFHVURJKSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CCC1 ZINC001273114276 847936059 /nfs/dbraw/zinc/93/60/59/847936059.db2.gz UHYFUNFPNYSUII-UHFFFAOYSA-N 2 1 320.437 1.945 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001150034730 862041655 /nfs/dbraw/zinc/04/16/55/862041655.db2.gz AGYYHTKHWWIMIE-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001274096903 851925748 /nfs/dbraw/zinc/92/57/48/851925748.db2.gz LCQAKVLHSXWREL-DKFQHHCZSA-N 2 1 317.477 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001274096903 851925750 /nfs/dbraw/zinc/92/57/50/851925750.db2.gz LCQAKVLHSXWREL-DKFQHHCZSA-N 2 1 317.477 1.926 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150706992 862426396 /nfs/dbraw/zinc/42/63/96/862426396.db2.gz RFKMFFVJJUCVDW-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150706992 862426399 /nfs/dbraw/zinc/42/63/99/862426399.db2.gz RFKMFFVJJUCVDW-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150706992 862426402 /nfs/dbraw/zinc/42/64/02/862426402.db2.gz RFKMFFVJJUCVDW-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001275689187 853575027 /nfs/dbraw/zinc/57/50/27/853575027.db2.gz CVDPOHFUQSOKBW-HNNXBMFYSA-N 2 1 311.470 1.500 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1F ZINC001275956473 854013165 /nfs/dbraw/zinc/01/31/65/854013165.db2.gz KFWJKUNFJTUJON-ROUUACIJSA-N 2 1 316.424 1.908 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596179 857034437 /nfs/dbraw/zinc/03/44/37/857034437.db2.gz SKYKYYBILZEZAG-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049596179 857034443 /nfs/dbraw/zinc/03/44/43/857034443.db2.gz SKYKYYBILZEZAG-CVEARBPZSA-N 2 1 300.406 1.280 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001072813498 857742900 /nfs/dbraw/zinc/74/29/00/857742900.db2.gz UHVCSUKGKYQHIM-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813498 857742906 /nfs/dbraw/zinc/74/29/06/857742906.db2.gz UHVCSUKGKYQHIM-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813498 857742909 /nfs/dbraw/zinc/74/29/09/857742909.db2.gz UHVCSUKGKYQHIM-QGZVFWFLSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC001072913715 857880274 /nfs/dbraw/zinc/88/02/74/857880274.db2.gz HICZUGLQQSCWFE-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072913715 857880278 /nfs/dbraw/zinc/88/02/78/857880278.db2.gz HICZUGLQQSCWFE-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC001072913715 857880284 /nfs/dbraw/zinc/88/02/84/857880284.db2.gz HICZUGLQQSCWFE-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001152334585 863282252 /nfs/dbraw/zinc/28/22/52/863282252.db2.gz JEMJPYKWAFANMR-JLHYYAGUSA-N 2 1 318.248 1.356 20 30 DDEDMP C#CCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001158097696 864425151 /nfs/dbraw/zinc/42/51/51/864425151.db2.gz CXLYTXBSOQJMTC-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]ccc3[nH]cc(C#N)c32)O1 ZINC001159243561 865182793 /nfs/dbraw/zinc/18/27/93/865182793.db2.gz QEJIWVJNTHXIJD-XJKCOSOUSA-N 2 1 315.377 1.571 20 30 DDEDMP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001331724595 865275568 /nfs/dbraw/zinc/27/55/68/865275568.db2.gz GUSVQLZOTNLLDC-HOCLYGCPSA-N 2 1 309.454 1.036 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001332114950 865589055 /nfs/dbraw/zinc/58/90/55/865589055.db2.gz ZXSLNHVNUYLFSE-QAPCUYQASA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001160150192 865698842 /nfs/dbraw/zinc/69/88/42/865698842.db2.gz GJLUOKZMQZCTFA-KRWDZBQOSA-N 2 1 301.434 1.100 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001161007500 866264504 /nfs/dbraw/zinc/26/45/04/866264504.db2.gz AKHQBELCRVOQKN-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007500 866264513 /nfs/dbraw/zinc/26/45/13/866264513.db2.gz AKHQBELCRVOQKN-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001161007500 866264523 /nfs/dbraw/zinc/26/45/23/866264523.db2.gz AKHQBELCRVOQKN-RDJZCZTQSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC2CC2)CC1 ZINC001324439322 867280971 /nfs/dbraw/zinc/28/09/71/867280971.db2.gz GXUQXGRCZBUIKD-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCOCC1 ZINC001325029224 867708595 /nfs/dbraw/zinc/70/85/95/867708595.db2.gz SBSGYDGTYLMQGY-UHFFFAOYSA-N 2 1 323.481 1.243 20 30 DDEDMP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001165272524 869483898 /nfs/dbraw/zinc/48/38/98/869483898.db2.gz VJGVGGCDPVCVCC-OAHLLOKOSA-N 2 1 304.438 1.816 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)cc1 ZINC001166708288 870180035 /nfs/dbraw/zinc/18/00/35/870180035.db2.gz OCLVVYRUAMTKNG-RHSMWYFYSA-N 2 1 314.433 1.352 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001166793617 870253261 /nfs/dbraw/zinc/25/32/61/870253261.db2.gz WHDVFDZKLSDMRN-INIZCTEOSA-N 2 1 305.466 1.618 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317190710 870443455 /nfs/dbraw/zinc/44/34/55/870443455.db2.gz QPQUHWHHZAYNSY-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317327284 870651618 /nfs/dbraw/zinc/65/16/18/870651618.db2.gz TYFCKBJCNURRGA-ZDUSSCGKSA-N 2 1 306.410 1.364 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001317787110 871503614 /nfs/dbraw/zinc/50/36/14/871503614.db2.gz CBALMHCZLIKHAK-CVEARBPZSA-N 2 1 316.449 1.850 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001226614529 882539530 /nfs/dbraw/zinc/53/95/30/882539530.db2.gz PNYGMKFXNGUWSQ-BRWVUGGUSA-N 2 1 305.466 1.901 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC001341661488 871762718 /nfs/dbraw/zinc/76/27/18/871762718.db2.gz CNYBPCQGAVCWNU-QGZVFWFLSA-N 2 1 301.434 1.845 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC001341661488 871762726 /nfs/dbraw/zinc/76/27/26/871762726.db2.gz CNYBPCQGAVCWNU-QGZVFWFLSA-N 2 1 301.434 1.845 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001318373322 871966961 /nfs/dbraw/zinc/96/69/61/871966961.db2.gz CTYVNWNGIRRBCW-QGZVFWFLSA-N 2 1 323.456 1.662 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206006601 871990099 /nfs/dbraw/zinc/99/00/99/871990099.db2.gz NUMQSKYZDWHFCY-GOSISDBHSA-N 2 1 319.493 1.960 20 30 DDEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC#CCOC)[C@@H]1C ZINC001316784237 872041217 /nfs/dbraw/zinc/04/12/17/872041217.db2.gz DVROYWCEQPZFOO-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H]1C ZINC001316784237 872041173 /nfs/dbraw/zinc/04/11/73/872041173.db2.gz DVROYWCEQPZFOO-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC#CCOC)[C@@H]1C ZINC001316784237 872041196 /nfs/dbraw/zinc/04/11/96/872041196.db2.gz DVROYWCEQPZFOO-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC#CCOC)[C@@H]1C ZINC001316784237 872041241 /nfs/dbraw/zinc/04/12/41/872041241.db2.gz DVROYWCEQPZFOO-IKGGRYGDSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001316811541 872089904 /nfs/dbraw/zinc/08/99/04/872089904.db2.gz RSTYXQGKFXAEAE-JKSUJKDBSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001318532046 872134532 /nfs/dbraw/zinc/13/45/32/872134532.db2.gz XLOGZKYPBLDNFF-RDJZCZTQSA-N 2 1 305.466 1.901 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001318946463 872359155 /nfs/dbraw/zinc/35/91/55/872359155.db2.gz BYMYOQBEVSYJFD-JYJNAYRXSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001318946463 872359174 /nfs/dbraw/zinc/35/91/74/872359174.db2.gz BYMYOQBEVSYJFD-JYJNAYRXSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001347747594 874264650 /nfs/dbraw/zinc/26/46/50/874264650.db2.gz WCSAEMVKXPKFSL-UHFFFAOYSA-N 2 1 311.389 1.261 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001347747594 874264661 /nfs/dbraw/zinc/26/46/61/874264661.db2.gz WCSAEMVKXPKFSL-UHFFFAOYSA-N 2 1 311.389 1.261 20 30 DDEDMP C=CCCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209203622 874727820 /nfs/dbraw/zinc/72/78/20/874727820.db2.gz QTJMWCCTTFUSKJ-UHFFFAOYSA-N 2 1 304.438 1.867 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378852295 875773064 /nfs/dbraw/zinc/77/30/64/875773064.db2.gz LJICAMXBMZMQFN-CHWSQXEVSA-N 2 1 320.462 1.508 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001211374863 875778618 /nfs/dbraw/zinc/77/86/18/875778618.db2.gz QQXPRSIMDJPHOJ-KBAYOESNSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374863 875778622 /nfs/dbraw/zinc/77/86/22/875778622.db2.gz QQXPRSIMDJPHOJ-KBAYOESNSA-N 2 1 313.445 1.749 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001211374863 875778625 /nfs/dbraw/zinc/77/86/25/875778625.db2.gz QQXPRSIMDJPHOJ-KBAYOESNSA-N 2 1 313.445 1.749 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213219229 875854108 /nfs/dbraw/zinc/85/41/08/875854108.db2.gz HVGXLRJQGKJGSP-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](OC)C1 ZINC001213219229 875854114 /nfs/dbraw/zinc/85/41/14/875854114.db2.gz HVGXLRJQGKJGSP-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC001353571982 877426190 /nfs/dbraw/zinc/42/61/90/877426190.db2.gz SREYASHCIIOXDP-JKSUJKDBSA-N 2 1 323.481 1.820 20 30 DDEDMP Cc1cccc(NCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[nH+]1 ZINC001354087681 877744285 /nfs/dbraw/zinc/74/42/85/877744285.db2.gz UEXLKYKSCKPMQU-XOYHFGRZSA-N 2 1 313.405 1.058 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CCNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220251914 878855385 /nfs/dbraw/zinc/85/53/85/878855385.db2.gz JNGMZQACCUDHOG-CVEARBPZSA-N 2 1 300.406 1.029 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH2+]C)[C@@H](C)OC(C)(C)C ZINC001220868817 879333282 /nfs/dbraw/zinc/33/32/82/879333282.db2.gz VINFTHBRTXVQQE-ILXRZTDVSA-N 2 1 311.470 1.545 20 30 DDEDMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001357430283 879970319 /nfs/dbraw/zinc/97/03/19/879970319.db2.gz FOPCXXMJDOYJGW-CVEARBPZSA-N 2 1 310.486 1.060 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001276933078 881158057 /nfs/dbraw/zinc/15/80/57/881158057.db2.gz VIWFXVQJZHXARY-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001276933078 881158062 /nfs/dbraw/zinc/15/80/62/881158062.db2.gz VIWFXVQJZHXARY-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001276933078 881158067 /nfs/dbraw/zinc/15/80/67/881158067.db2.gz VIWFXVQJZHXARY-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001276933078 881158070 /nfs/dbraw/zinc/15/80/70/881158070.db2.gz VIWFXVQJZHXARY-SJORKVTESA-N 2 1 323.481 1.642 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001235339788 888568402 /nfs/dbraw/zinc/56/84/02/888568402.db2.gz YRIZQXFUKHAEBD-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339788 888568413 /nfs/dbraw/zinc/56/84/13/888568413.db2.gz YRIZQXFUKHAEBD-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCC[NH+]1C(C)C ZINC001235339788 888568418 /nfs/dbraw/zinc/56/84/18/888568418.db2.gz YRIZQXFUKHAEBD-IAGOWNOFSA-N 2 1 305.466 1.805 20 30 DDEDMP N#Cc1ccccc1C(=O)N1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246365592 892573148 /nfs/dbraw/zinc/57/31/48/892573148.db2.gz ZENTVNYYVPJQCC-MRXNPFEDSA-N 2 1 312.417 1.504 20 30 DDEDMP C=CCN(CC=C)CC[NH+]1CCN([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246949866 893015509 /nfs/dbraw/zinc/01/55/09/893015509.db2.gz RBQUJIDTKVTEMC-MSOLQXFVSA-N 2 1 306.498 1.419 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001278493857 893382894 /nfs/dbraw/zinc/38/28/94/893382894.db2.gz MLFBACIBZPPSSF-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)C1 ZINC001254673746 896567302 /nfs/dbraw/zinc/56/73/02/896567302.db2.gz OGELFLWLGICARC-CJNGLKHVSA-N 2 1 304.438 1.340 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001367732317 897618403 /nfs/dbraw/zinc/61/84/03/897618403.db2.gz SRBFIOCVICNJCD-YWPYICTPSA-N 2 1 320.462 1.554 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCOC ZINC001279044345 897948173 /nfs/dbraw/zinc/94/81/73/897948173.db2.gz HOHBYLCEZRVKSN-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCOC ZINC001279044345 897948181 /nfs/dbraw/zinc/94/81/81/897948181.db2.gz HOHBYLCEZRVKSN-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)CCOC ZINC001279044345 897948188 /nfs/dbraw/zinc/94/81/88/897948188.db2.gz HOHBYLCEZRVKSN-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)CCOC ZINC001279044345 897948196 /nfs/dbraw/zinc/94/81/96/897948196.db2.gz HOHBYLCEZRVKSN-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC001390812777 900252953 /nfs/dbraw/zinc/25/29/53/900252953.db2.gz PYGBVMWHIZQJNV-QGZVFWFLSA-N 2 1 316.449 1.692 20 30 DDEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001264462136 901136531 /nfs/dbraw/zinc/13/65/31/901136531.db2.gz SOFDXKXYANWJDS-BBWFWOEESA-N 2 1 305.466 1.757 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H]1C ZINC001264731952 901314374 /nfs/dbraw/zinc/31/43/74/901314374.db2.gz ZADNVMTUUPQAEW-XHSDSOJGSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+](CC)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265136990 901613017 /nfs/dbraw/zinc/61/30/17/901613017.db2.gz LFZPXBJGEYCQSU-UHFFFAOYSA-N 2 1 304.438 1.858 20 30 DDEDMP CC#CC[N@@H+](CC)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001265136990 901613032 /nfs/dbraw/zinc/61/30/32/901613032.db2.gz LFZPXBJGEYCQSU-UHFFFAOYSA-N 2 1 304.438 1.858 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001265188991 901681146 /nfs/dbraw/zinc/68/11/46/901681146.db2.gz GEVARFINCBDEOU-WBVHZDCISA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001265188991 901681155 /nfs/dbraw/zinc/68/11/55/901681155.db2.gz GEVARFINCBDEOU-WBVHZDCISA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265707832 902325378 /nfs/dbraw/zinc/32/53/78/902325378.db2.gz GJVDPZJXEWGWLD-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C#N ZINC001391965461 903000267 /nfs/dbraw/zinc/00/02/67/903000267.db2.gz QONFMEMEYJLAQN-HNNXBMFYSA-N 2 1 316.449 1.740 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001280930650 904200175 /nfs/dbraw/zinc/20/01/75/904200175.db2.gz AVMUTBGBXZDTMP-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@@H+]1Cc2ccc(CNC(=O)Cn3cncc3C)cc2C1 ZINC001281292416 904657190 /nfs/dbraw/zinc/65/71/90/904657190.db2.gz DLRUFMATDNHAQQ-UHFFFAOYSA-N 2 1 322.412 1.847 20 30 DDEDMP C=CCOCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001282013251 905407403 /nfs/dbraw/zinc/40/74/03/905407403.db2.gz CDDTYPRHVKNLAS-UYSNPLJNSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](C)OC ZINC001282306571 905672458 /nfs/dbraw/zinc/67/24/58/905672458.db2.gz IYGLOLZQNHHIMQ-CVEARBPZSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C[C@@H](C)OC ZINC001282306571 905672462 /nfs/dbraw/zinc/67/24/62/905672462.db2.gz IYGLOLZQNHHIMQ-CVEARBPZSA-N 2 1 323.481 1.193 20 30 DDEDMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC001371880142 905915032 /nfs/dbraw/zinc/91/50/32/905915032.db2.gz MCGIBONKUXGPPJ-RHSMWYFYSA-N 2 1 314.433 1.494 20 30 DDEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001283043367 906523227 /nfs/dbraw/zinc/52/32/27/906523227.db2.gz MMGXBBKYWVPSLD-RBSFLKMASA-N 2 1 302.422 1.514 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001283507276 907491401 /nfs/dbraw/zinc/49/14/01/907491401.db2.gz LFSPPYOCZIFCKV-NJEVBOHQSA-N 2 1 323.868 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001283507276 907491413 /nfs/dbraw/zinc/49/14/13/907491413.db2.gz LFSPPYOCZIFCKV-NJEVBOHQSA-N 2 1 323.868 1.663 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001284029266 908341193 /nfs/dbraw/zinc/34/11/93/908341193.db2.gz DICVBHLGTOGFNH-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001284029266 908341206 /nfs/dbraw/zinc/34/12/06/908341206.db2.gz DICVBHLGTOGFNH-RDJZCZTQSA-N 2 1 301.434 1.883 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCc3nccn3C)CCC[C@H]12 ZINC001284055774 908404225 /nfs/dbraw/zinc/40/42/25/908404225.db2.gz CAVXDCAGXMKWFR-YOEHRIQHSA-N 2 1 300.406 1.099 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1cccc(C#N)c1 ZINC001394136801 908937883 /nfs/dbraw/zinc/93/78/83/908937883.db2.gz OHXVSIGUPWXYMH-YOEHRIQHSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001394136801 908937894 /nfs/dbraw/zinc/93/78/94/908937894.db2.gz OHXVSIGUPWXYMH-YOEHRIQHSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001394136801 908937903 /nfs/dbraw/zinc/93/79/03/908937903.db2.gz OHXVSIGUPWXYMH-YOEHRIQHSA-N 2 1 314.433 1.446 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC(=C)C)C1 ZINC001284770825 909468675 /nfs/dbraw/zinc/46/86/75/909468675.db2.gz INOMITFEUYQXHH-JCYILVPMSA-N 2 1 303.450 1.629 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC(=C)C)C1 ZINC001284770825 909468679 /nfs/dbraw/zinc/46/86/79/909468679.db2.gz INOMITFEUYQXHH-JCYILVPMSA-N 2 1 303.450 1.629 20 30 DDEDMP OCCC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](CCCO)C2)C1 ZINC000452126980 231312242 /nfs/dbraw/zinc/31/22/42/231312242.db2.gz VIFIFGQOZMUOKL-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP OCCC[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](CCCO)C2)C1 ZINC000452126980 231312245 /nfs/dbraw/zinc/31/22/45/231312245.db2.gz VIFIFGQOZMUOKL-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP OCCC[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](CCCO)C2)C1 ZINC000452126980 231312247 /nfs/dbraw/zinc/31/22/47/231312247.db2.gz VIFIFGQOZMUOKL-HDICACEKSA-N 2 1 308.466 1.179 20 30 DDEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[NH+](CC(C)C)CC1 ZINC000075074557 353346197 /nfs/dbraw/zinc/34/61/97/353346197.db2.gz NIHANFJYRKICSH-KRWDZBQOSA-N 2 1 322.453 1.336 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185762546 354282517 /nfs/dbraw/zinc/28/25/17/354282517.db2.gz FSAMEQKAODHEBV-HOTGVXAUSA-N 2 1 320.481 1.991 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185762546 354282523 /nfs/dbraw/zinc/28/25/23/354282523.db2.gz FSAMEQKAODHEBV-HOTGVXAUSA-N 2 1 320.481 1.991 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000594437639 356213292 /nfs/dbraw/zinc/21/32/92/356213292.db2.gz KGYLDJYBLDPQIA-HRCADAONSA-N 2 1 322.453 1.157 20 30 DDEDMP CC[N@@H+]1CCc2nc(NC(=O)[C@H]([NH3+])CCCCC#N)sc2C1 ZINC000594445135 356218394 /nfs/dbraw/zinc/21/83/94/356218394.db2.gz APIWHVKLNZYSRZ-LLVKDONJSA-N 2 1 321.450 1.871 20 30 DDEDMP CC[N@H+]1CCc2nc(NC(=O)[C@H]([NH3+])CCCCC#N)sc2C1 ZINC000594445135 356218396 /nfs/dbraw/zinc/21/83/96/356218396.db2.gz APIWHVKLNZYSRZ-LLVKDONJSA-N 2 1 321.450 1.871 20 30 DDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595992383 356738631 /nfs/dbraw/zinc/73/86/31/356738631.db2.gz PWTQYMCRMYSNNX-JKSUJKDBSA-N 2 1 306.454 1.636 20 30 DDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C2)CC1 ZINC000598594698 357645884 /nfs/dbraw/zinc/64/58/84/357645884.db2.gz HXKMMKYTYBNDEV-SJORKVTESA-N 2 1 322.497 1.387 20 30 DDEDMP C[C@H](CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000329719029 223018987 /nfs/dbraw/zinc/01/89/87/223018987.db2.gz ZUPOLEDMWXBZFO-HUUCEWRRSA-N 2 1 324.469 1.109 20 30 DDEDMP C[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000329719029 223018990 /nfs/dbraw/zinc/01/89/90/223018990.db2.gz ZUPOLEDMWXBZFO-HUUCEWRRSA-N 2 1 324.469 1.109 20 30 DDEDMP C[NH+]1CCC2(CC[N@@H+](CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000602877828 359261352 /nfs/dbraw/zinc/26/13/52/359261352.db2.gz RUKSVDWMMSQVPW-MRXNPFEDSA-N 2 1 304.438 1.213 20 30 DDEDMP CC[NH+](CC)Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)o1 ZINC000604505530 359758294 /nfs/dbraw/zinc/75/82/94/359758294.db2.gz DYQMDMGJTPGLNQ-UHFFFAOYSA-N 2 1 318.421 1.839 20 30 DDEDMP C=CCCOCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000620244266 364345623 /nfs/dbraw/zinc/34/56/23/364345623.db2.gz VADYYIYYALFXGD-UHFFFAOYSA-N 2 1 304.394 1.365 20 30 DDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000114074354 407540142 /nfs/dbraw/zinc/54/01/42/407540142.db2.gz OSNQVFHOSDBUSV-KRWDZBQOSA-N 2 1 314.433 1.543 20 30 DDEDMP Cc1cccc(C)c1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000153437497 407824880 /nfs/dbraw/zinc/82/48/80/407824880.db2.gz DFOIAAQZIZQPBR-UHFFFAOYSA-N 2 1 318.465 1.473 20 30 DDEDMP CC[C@H](C)NC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272792958 408012853 /nfs/dbraw/zinc/01/28/53/408012853.db2.gz CLOFQEWFEFLDCH-XJKSGUPXSA-N 2 1 304.438 1.456 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000136300324 408095875 /nfs/dbraw/zinc/09/58/75/408095875.db2.gz IYHSBUVMYWKEAQ-MRXNPFEDSA-N 2 1 305.426 1.568 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000136300324 408095881 /nfs/dbraw/zinc/09/58/81/408095881.db2.gz IYHSBUVMYWKEAQ-MRXNPFEDSA-N 2 1 305.426 1.568 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)CCc1ccccc1 ZINC000273349317 408163021 /nfs/dbraw/zinc/16/30/21/408163021.db2.gz PVQCHWRVYJXPSP-IRXDYDNUSA-N 2 1 318.465 1.369 20 30 DDEDMP C[C@@H]1C[N@@H+](CCCSCC#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360691924 418493256 /nfs/dbraw/zinc/49/32/56/418493256.db2.gz NQVJVAHDHNHJEY-CVEARBPZSA-N 2 1 310.511 1.591 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291444 222196978 /nfs/dbraw/zinc/19/69/78/222196978.db2.gz HQHOPBONFHJBPA-ZBFHGGJFSA-N 2 1 304.438 1.448 20 30 DDEDMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCOCC2)[C@H]1c1cccs1 ZINC000247078068 222227341 /nfs/dbraw/zinc/22/73/41/222227341.db2.gz PBIMRWWDCCVGDA-ZFWWWQNUSA-N 2 1 322.478 1.778 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCC2(C1)CCOCC2 ZINC000262754131 222290950 /nfs/dbraw/zinc/29/09/50/222290950.db2.gz APJMCTOKEXYBRD-UHFFFAOYSA-N 2 1 322.497 1.939 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(F)c1 ZINC000264071014 222312984 /nfs/dbraw/zinc/31/29/84/222312984.db2.gz DDWQHLIHDBXACK-HUUCEWRRSA-N 2 1 308.401 1.248 20 30 DDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2ccc(OC)cc2)C1 ZINC000264116449 222320946 /nfs/dbraw/zinc/32/09/46/222320946.db2.gz STAYDSZJGJTBEH-MRXNPFEDSA-N 2 1 318.465 1.874 20 30 DDEDMP C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000375461319 418642288 /nfs/dbraw/zinc/64/22/88/418642288.db2.gz FJEIZZAOLIXDSS-KRWDZBQOSA-N 2 1 316.424 1.909 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CO)c1ccccc1 ZINC000267421355 222385890 /nfs/dbraw/zinc/38/58/90/222385890.db2.gz KTJGAUKWCATMIA-HOTGVXAUSA-N 2 1 304.438 1.151 20 30 DDEDMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758321 418758274 /nfs/dbraw/zinc/75/82/74/418758274.db2.gz VWHFDVSHEHKZEW-AEFFLSMTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758321 418758277 /nfs/dbraw/zinc/75/82/77/418758277.db2.gz VWHFDVSHEHKZEW-AEFFLSMTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758321 418758278 /nfs/dbraw/zinc/75/82/78/418758278.db2.gz VWHFDVSHEHKZEW-AEFFLSMTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758321 418758279 /nfs/dbraw/zinc/75/82/79/418758279.db2.gz VWHFDVSHEHKZEW-AEFFLSMTSA-N 2 1 315.417 1.326 20 30 DDEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000368844919 418725858 /nfs/dbraw/zinc/72/58/58/418725858.db2.gz JMSKHYNEZMFYDZ-ZFWWWQNUSA-N 2 1 323.400 1.995 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000491474487 421197883 /nfs/dbraw/zinc/19/78/83/421197883.db2.gz NEDVYHCPGUMQPY-YOEHRIQHSA-N 2 1 319.474 1.860 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000491474487 421197885 /nfs/dbraw/zinc/19/78/85/421197885.db2.gz NEDVYHCPGUMQPY-YOEHRIQHSA-N 2 1 319.474 1.860 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000491665248 421200983 /nfs/dbraw/zinc/20/09/83/421200983.db2.gz KHUXLLJNIWHGMM-HZPDHXFCSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000491665248 421200984 /nfs/dbraw/zinc/20/09/84/421200984.db2.gz KHUXLLJNIWHGMM-HZPDHXFCSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000491665248 421200986 /nfs/dbraw/zinc/20/09/86/421200986.db2.gz KHUXLLJNIWHGMM-HZPDHXFCSA-N 2 1 308.470 1.361 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000564221629 421575756 /nfs/dbraw/zinc/57/57/56/421575756.db2.gz XSUKIRNKJXAIBZ-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000564221629 421575759 /nfs/dbraw/zinc/57/57/59/421575759.db2.gz XSUKIRNKJXAIBZ-QGZVFWFLSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C#N)CCC3)CC2)CC1 ZINC000575933315 422349427 /nfs/dbraw/zinc/34/94/27/422349427.db2.gz JOQWQZFDWHSPNW-UHFFFAOYSA-N 2 1 318.465 1.745 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634715958 422581144 /nfs/dbraw/zinc/58/11/44/422581144.db2.gz MNSHUCXHGPDTDF-SQNIBIBYSA-N 2 1 302.418 1.557 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715958 422581150 /nfs/dbraw/zinc/58/11/50/422581150.db2.gz MNSHUCXHGPDTDF-SQNIBIBYSA-N 2 1 302.418 1.557 20 30 DDEDMP Cc1ccc(C#N)c(N2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000374253350 267375763 /nfs/dbraw/zinc/37/57/63/267375763.db2.gz HSTJXGAIQCGMLS-OAHLLOKOSA-N 2 1 313.449 1.866 20 30 DDEDMP Cc1ccc(C#N)c(N2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)n1 ZINC000374253350 267375771 /nfs/dbraw/zinc/37/57/71/267375771.db2.gz HSTJXGAIQCGMLS-OAHLLOKOSA-N 2 1 313.449 1.866 20 30 DDEDMP CC#CCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000360491089 336712908 /nfs/dbraw/zinc/71/29/08/336712908.db2.gz LZDFPPBODYVUKV-IRXDYDNUSA-N 2 1 308.466 1.990 20 30 DDEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717911 526357392 /nfs/dbraw/zinc/35/73/92/526357392.db2.gz ZUYPUFUZXXOHLJ-QGZVFWFLSA-N 2 1 301.434 1.872 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cc(C)ccc1Cl ZINC000491694230 526827386 /nfs/dbraw/zinc/82/73/86/526827386.db2.gz FCSWFCVHLBDSBY-HNNXBMFYSA-N 2 1 324.852 1.933 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cc(C)ccc1Cl ZINC000491694230 526827390 /nfs/dbraw/zinc/82/73/90/526827390.db2.gz FCSWFCVHLBDSBY-HNNXBMFYSA-N 2 1 324.852 1.933 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000490574887 526924899 /nfs/dbraw/zinc/92/48/99/526924899.db2.gz DJKBTHTUQQHTAQ-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000491696459 526981368 /nfs/dbraw/zinc/98/13/68/526981368.db2.gz JBJFEEXROCYDQZ-MRXNPFEDSA-N 2 1 313.445 1.941 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971953531 695129222 /nfs/dbraw/zinc/12/92/22/695129222.db2.gz SYGHRMACQIMGQM-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000971953531 695129225 /nfs/dbraw/zinc/12/92/25/695129225.db2.gz SYGHRMACQIMGQM-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](C(C)C)CC2(C)C)CC1 ZINC000977659812 696247399 /nfs/dbraw/zinc/24/73/99/696247399.db2.gz YHFXESQMRMIJFN-INIZCTEOSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000978278957 696356861 /nfs/dbraw/zinc/35/68/61/696356861.db2.gz FSZJONCLNKPGPA-FJIDUMEYSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000978278957 696356863 /nfs/dbraw/zinc/35/68/63/696356863.db2.gz FSZJONCLNKPGPA-FJIDUMEYSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC000978278957 696356865 /nfs/dbraw/zinc/35/68/65/696356865.db2.gz FSZJONCLNKPGPA-FJIDUMEYSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC3CCC3)C[C@H]21 ZINC000978278957 696356866 /nfs/dbraw/zinc/35/68/66/696356866.db2.gz FSZJONCLNKPGPA-FJIDUMEYSA-N 2 1 315.461 1.178 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC000978620760 696425561 /nfs/dbraw/zinc/42/55/61/696425561.db2.gz YCXCTOCIJIVDMV-VQHPVUNQSA-N 2 1 303.450 1.036 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978620760 696425562 /nfs/dbraw/zinc/42/55/62/696425562.db2.gz YCXCTOCIJIVDMV-VQHPVUNQSA-N 2 1 303.450 1.036 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC000978620760 696425564 /nfs/dbraw/zinc/42/55/64/696425564.db2.gz YCXCTOCIJIVDMV-VQHPVUNQSA-N 2 1 303.450 1.036 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138700 696690295 /nfs/dbraw/zinc/69/02/95/696690295.db2.gz DNWFYHCJAFDGOP-BBWFWOEESA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980138700 696690296 /nfs/dbraw/zinc/69/02/96/696690296.db2.gz DNWFYHCJAFDGOP-BBWFWOEESA-N 2 1 314.433 1.432 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138667 696690345 /nfs/dbraw/zinc/69/03/45/696690345.db2.gz DKBQTVIEFFOTDJ-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980138667 696690348 /nfs/dbraw/zinc/69/03/48/696690348.db2.gz DKBQTVIEFFOTDJ-YESZJQIVSA-N 2 1 316.449 1.984 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981958616 696984860 /nfs/dbraw/zinc/98/48/60/696984860.db2.gz GRUCTMBHJLJNHJ-MRXNPFEDSA-N 2 1 314.433 1.312 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000981958616 696984862 /nfs/dbraw/zinc/98/48/62/696984862.db2.gz GRUCTMBHJLJNHJ-MRXNPFEDSA-N 2 1 314.433 1.312 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013206 697002439 /nfs/dbraw/zinc/00/24/39/697002439.db2.gz OEQGDQHDOBVSTH-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013206 697002441 /nfs/dbraw/zinc/00/24/41/697002441.db2.gz OEQGDQHDOBVSTH-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013206 697002442 /nfs/dbraw/zinc/00/24/42/697002442.db2.gz OEQGDQHDOBVSTH-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982012740 697002654 /nfs/dbraw/zinc/00/26/54/697002654.db2.gz FYNAGNKKDUZEAJ-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012740 697002657 /nfs/dbraw/zinc/00/26/57/697002657.db2.gz FYNAGNKKDUZEAJ-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982012740 697002658 /nfs/dbraw/zinc/00/26/58/697002658.db2.gz FYNAGNKKDUZEAJ-MRXNPFEDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013228 697002910 /nfs/dbraw/zinc/00/29/10/697002910.db2.gz OSICYXHPBPWYGA-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013228 697002915 /nfs/dbraw/zinc/00/29/15/697002915.db2.gz OSICYXHPBPWYGA-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013228 697002916 /nfs/dbraw/zinc/00/29/16/697002916.db2.gz OSICYXHPBPWYGA-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC000982162308 697046061 /nfs/dbraw/zinc/04/60/61/697046061.db2.gz NUCUFSMFLSXTDW-UHFFFAOYSA-N 2 1 317.477 1.810 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000982163517 697046650 /nfs/dbraw/zinc/04/66/50/697046650.db2.gz DJIOIIFGGCUJQH-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163517 697046652 /nfs/dbraw/zinc/04/66/52/697046652.db2.gz DJIOIIFGGCUJQH-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000982163517 697046654 /nfs/dbraw/zinc/04/66/54/697046654.db2.gz DJIOIIFGGCUJQH-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[NH+](C3)CCC4)C[C@@]2(C)C1 ZINC000982773086 697178089 /nfs/dbraw/zinc/17/80/89/697178089.db2.gz ABWINKXIVLMQMY-OTWHNJEPSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[N@H+](C3)CCC4)C[C@@]2(C)C1 ZINC000982773086 697178090 /nfs/dbraw/zinc/17/80/90/697178090.db2.gz ABWINKXIVLMQMY-OTWHNJEPSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)C[C@@]2(C)C1 ZINC000982773086 697178091 /nfs/dbraw/zinc/17/80/91/697178091.db2.gz ABWINKXIVLMQMY-OTWHNJEPSA-N 2 1 317.477 1.829 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000985539025 697527175 /nfs/dbraw/zinc/52/71/75/697527175.db2.gz GAHXHSBWYFHYFB-UHFFFAOYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000985539025 697527176 /nfs/dbraw/zinc/52/71/76/697527176.db2.gz GAHXHSBWYFHYFB-UHFFFAOYSA-N 2 1 316.449 1.871 20 30 DDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000303887595 698608965 /nfs/dbraw/zinc/60/89/65/698608965.db2.gz KYUXWGGFFMUYII-UHFFFAOYSA-N 2 1 324.425 1.399 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)NC1CCCCC1 ZINC000303885775 698609089 /nfs/dbraw/zinc/60/90/89/698609089.db2.gz NITATGSUKAGSMM-HNNXBMFYSA-N 2 1 323.485 1.214 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CCN(CC(F)(F)F)C1 ZINC000303881808 698609200 /nfs/dbraw/zinc/60/92/00/698609200.db2.gz LDKNESXZVNADSU-NWDGAFQWSA-N 2 1 321.391 1.012 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000303911522 698611072 /nfs/dbraw/zinc/61/10/72/698611072.db2.gz ZRCRITDBGOQSPS-SJORKVTESA-N 3 1 323.529 1.887 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000303911522 698611074 /nfs/dbraw/zinc/61/10/74/698611074.db2.gz ZRCRITDBGOQSPS-SJORKVTESA-N 3 1 323.529 1.887 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000303911522 698611076 /nfs/dbraw/zinc/61/10/76/698611076.db2.gz ZRCRITDBGOQSPS-SJORKVTESA-N 3 1 323.529 1.887 20 30 DDEDMP Cc1cccc(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)c1 ZINC000303983650 698612491 /nfs/dbraw/zinc/61/24/91/698612491.db2.gz RJPDXRPPDUSXFM-UHFFFAOYSA-N 2 1 303.454 1.749 20 30 DDEDMP Cc1cccc(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)c1 ZINC000303983650 698612495 /nfs/dbraw/zinc/61/24/95/698612495.db2.gz RJPDXRPPDUSXFM-UHFFFAOYSA-N 2 1 303.454 1.749 20 30 DDEDMP Cc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000303983650 698612500 /nfs/dbraw/zinc/61/25/00/698612500.db2.gz RJPDXRPPDUSXFM-UHFFFAOYSA-N 2 1 303.454 1.749 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991860405 699426118 /nfs/dbraw/zinc/42/61/18/699426118.db2.gz LJERBAFDVWLVMX-WBVHZDCISA-N 2 1 300.406 1.328 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC000991860405 699426121 /nfs/dbraw/zinc/42/61/21/699426121.db2.gz LJERBAFDVWLVMX-WBVHZDCISA-N 2 1 300.406 1.328 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876721595 705838785 /nfs/dbraw/zinc/83/87/85/705838785.db2.gz VXCGMQNKTVEPOG-CYBMUJFWSA-N 2 1 319.796 1.662 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000884022665 708106111 /nfs/dbraw/zinc/10/61/11/708106111.db2.gz NCZGVDSESRDVGW-MRXNPFEDSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000884022665 708106115 /nfs/dbraw/zinc/10/61/15/708106115.db2.gz NCZGVDSESRDVGW-MRXNPFEDSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000884200340 708185599 /nfs/dbraw/zinc/18/55/99/708185599.db2.gz ZODHEABXFYNFNS-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000884200340 708185602 /nfs/dbraw/zinc/18/56/02/708185602.db2.gz ZODHEABXFYNFNS-CVEARBPZSA-N 2 1 306.454 1.258 20 30 DDEDMP C[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2C1 ZINC000884212730 708192789 /nfs/dbraw/zinc/19/27/89/708192789.db2.gz LQQYZWSVIROXIG-KOHRHEQBSA-N 2 1 324.428 1.604 20 30 DDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)c2ccccc2C1 ZINC000884212730 708192790 /nfs/dbraw/zinc/19/27/90/708192790.db2.gz LQQYZWSVIROXIG-KOHRHEQBSA-N 2 1 324.428 1.604 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900378945 709564296 /nfs/dbraw/zinc/56/42/96/709564296.db2.gz YWYLULMDLBXXSQ-HOTGVXAUSA-N 2 1 306.454 1.697 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000896487683 711731932 /nfs/dbraw/zinc/73/19/32/711731932.db2.gz BKZCUQUIOFGEIS-OAHLLOKOSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000896487683 711731933 /nfs/dbraw/zinc/73/19/33/711731933.db2.gz BKZCUQUIOFGEIS-OAHLLOKOSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906773961 712409265 /nfs/dbraw/zinc/40/92/65/712409265.db2.gz RTAMQRVAINBXBZ-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000914341259 713381527 /nfs/dbraw/zinc/38/15/27/713381527.db2.gz NBWKYRYGCHBXMG-JKSUJKDBSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC000963823353 717917783 /nfs/dbraw/zinc/91/77/83/717917783.db2.gz GPEZYSOXCZBMGE-WENYZVDWSA-N 2 1 303.450 1.367 20 30 DDEDMP CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H]1CCC[NH2+]CC1 ZINC000923336069 714319548 /nfs/dbraw/zinc/31/95/48/714319548.db2.gz PVCIMTBEQPGWFA-IAGOWNOFSA-N 2 1 317.433 1.762 20 30 DDEDMP C[N@H+](C[C@H](O)COc1ccccc1C#N)C1(C[NH3+])CCCCC1 ZINC000923420663 714350361 /nfs/dbraw/zinc/35/03/61/714350361.db2.gz BKHLBWYRDTZQMJ-INIZCTEOSA-N 2 1 317.433 1.891 20 30 DDEDMP C[N@@H+](C[C@H](O)COc1ccccc1C#N)C1(C[NH3+])CCCCC1 ZINC000923420663 714350362 /nfs/dbraw/zinc/35/03/62/714350362.db2.gz BKHLBWYRDTZQMJ-INIZCTEOSA-N 2 1 317.433 1.891 20 30 DDEDMP C#CC[NH+]1CCC2(CCN(C(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC000957579784 715958632 /nfs/dbraw/zinc/95/86/32/715958632.db2.gz ZSGLYPDMSVZGIC-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202208 716860317 /nfs/dbraw/zinc/86/03/17/716860317.db2.gz UHMRWHBVXYWNFY-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000961202208 716860322 /nfs/dbraw/zinc/86/03/22/716860322.db2.gz UHMRWHBVXYWNFY-SJORKVTESA-N 2 1 316.449 1.938 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940864302 717001440 /nfs/dbraw/zinc/00/14/40/717001440.db2.gz JTCULQVUFHGPOG-MRXNPFEDSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941231572 717135007 /nfs/dbraw/zinc/13/50/07/717135007.db2.gz UFPKLICDBGXUEO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231572 717135008 /nfs/dbraw/zinc/13/50/08/717135008.db2.gz UFPKLICDBGXUEO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231572 717135010 /nfs/dbraw/zinc/13/50/10/717135010.db2.gz UFPKLICDBGXUEO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231572 717135013 /nfs/dbraw/zinc/13/50/13/717135013.db2.gz UFPKLICDBGXUEO-GJZGRUSLSA-N 2 1 309.454 1.110 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581878 717760675 /nfs/dbraw/zinc/76/06/75/717760675.db2.gz OENPJOUKTMKBQW-ZBFHGGJFSA-N 2 1 317.433 1.805 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000965933236 717821662 /nfs/dbraw/zinc/82/16/62/717821662.db2.gz URZKWYQBBYUGAU-LMBQMVEXSA-N 2 1 303.450 1.511 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677954 718875950 /nfs/dbraw/zinc/87/59/50/718875950.db2.gz RSAXXTUIQCKCHU-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677954 718875953 /nfs/dbraw/zinc/87/59/53/718875953.db2.gz RSAXXTUIQCKCHU-CALCHBBNSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC000947492664 719186329 /nfs/dbraw/zinc/18/63/29/719186329.db2.gz LONAFZMXTIREPB-JKSUJKDBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C[C@H]1C ZINC000948069045 719348810 /nfs/dbraw/zinc/34/88/10/719348810.db2.gz AYTKPSVGKRNHRU-AEFFLSMTSA-N 2 1 315.461 1.324 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000948423856 719492454 /nfs/dbraw/zinc/49/24/54/719492454.db2.gz DZLKOUYKNIARCP-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423856 719492457 /nfs/dbraw/zinc/49/24/57/719492457.db2.gz DZLKOUYKNIARCP-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000948423856 719492459 /nfs/dbraw/zinc/49/24/59/719492459.db2.gz DZLKOUYKNIARCP-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553707 719662487 /nfs/dbraw/zinc/66/24/87/719662487.db2.gz OPMVFWLTZITGPV-ZBFHGGJFSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553707 719662488 /nfs/dbraw/zinc/66/24/88/719662488.db2.gz OPMVFWLTZITGPV-ZBFHGGJFSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000968934494 719884485 /nfs/dbraw/zinc/88/44/85/719884485.db2.gz YFJDAUXGTXSPRR-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000969156416 719981551 /nfs/dbraw/zinc/98/15/51/719981551.db2.gz SEPCMKFQJRMNSX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156416 719981555 /nfs/dbraw/zinc/98/15/55/719981555.db2.gz SEPCMKFQJRMNSX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000969156416 719981557 /nfs/dbraw/zinc/98/15/57/719981557.db2.gz SEPCMKFQJRMNSX-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000949394901 720059420 /nfs/dbraw/zinc/05/94/20/720059420.db2.gz JGUXPWDKMKMSLZ-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969682430 720248558 /nfs/dbraw/zinc/24/85/58/720248558.db2.gz VEIRLNPYLLLFOT-HZPDHXFCSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969682430 720248562 /nfs/dbraw/zinc/24/85/62/720248562.db2.gz VEIRLNPYLLLFOT-HZPDHXFCSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969682430 720248565 /nfs/dbraw/zinc/24/85/65/720248565.db2.gz VEIRLNPYLLLFOT-HZPDHXFCSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000969737146 720271710 /nfs/dbraw/zinc/27/17/10/720271710.db2.gz JZVJGSMAEBRPTC-UONOGXRCSA-N 2 1 322.840 1.697 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000969864266 720540057 /nfs/dbraw/zinc/54/00/57/720540057.db2.gz AHGCYSNSGOXLCN-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CC=C(C)C)C1 ZINC000969864266 720540060 /nfs/dbraw/zinc/54/00/60/720540060.db2.gz AHGCYSNSGOXLCN-WBVHZDCISA-N 2 1 303.450 1.487 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000970420336 720754502 /nfs/dbraw/zinc/75/45/02/720754502.db2.gz ODFGXDUEIJRDSV-ZFWWWQNUSA-N 2 1 316.449 1.767 20 30 DDEDMP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529294 720798542 /nfs/dbraw/zinc/79/85/42/720798542.db2.gz NXHWDUCSQQQKFT-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000971555687 721353527 /nfs/dbraw/zinc/35/35/27/721353527.db2.gz JCMPCYYNGZRYMI-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001023632898 735364217 /nfs/dbraw/zinc/36/42/17/735364217.db2.gz RJCUQOBEWIVLCN-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001023632898 735364218 /nfs/dbraw/zinc/36/42/18/735364218.db2.gz RJCUQOBEWIVLCN-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001023678409 735392271 /nfs/dbraw/zinc/39/22/71/735392271.db2.gz VNWWJNPWOFFIBA-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232530 732848211 /nfs/dbraw/zinc/84/82/11/732848211.db2.gz GEFQGMKMVIZAHQ-MRXNPFEDSA-N 2 1 323.481 1.407 20 30 DDEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001098536193 732911090 /nfs/dbraw/zinc/91/10/90/732911090.db2.gz COCRQIZDSVQMCO-UHFFFAOYSA-N 2 1 323.481 1.027 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001027886930 738774826 /nfs/dbraw/zinc/77/48/26/738774826.db2.gz DIFHQJHVAWSIPR-IRXDYDNUSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022222254 734439750 /nfs/dbraw/zinc/43/97/50/734439750.db2.gz WPWVIEPPOLWBJF-KSZLIROESA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001022222254 734439751 /nfs/dbraw/zinc/43/97/51/734439751.db2.gz WPWVIEPPOLWBJF-KSZLIROESA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C(C)(C)[N@H+](C)CC)C2)C1 ZINC001121325635 782459908 /nfs/dbraw/zinc/45/99/08/782459908.db2.gz JZSQZGKWVBQKDC-UHFFFAOYSA-N 2 1 305.466 1.757 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001023447584 735236440 /nfs/dbraw/zinc/23/64/40/735236440.db2.gz QHJUJSVEDQPDOL-HOTGVXAUSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001023452356 735245367 /nfs/dbraw/zinc/24/53/67/735245367.db2.gz YESWIPGETQBIEB-INIZCTEOSA-N 2 1 305.466 1.877 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001023457635 735248373 /nfs/dbraw/zinc/24/83/73/735248373.db2.gz VQRAVGPYTJQEPF-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479412 735855830 /nfs/dbraw/zinc/85/58/30/735855830.db2.gz HFPQTUNNGQUYMS-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001024479412 735855833 /nfs/dbraw/zinc/85/58/33/735855833.db2.gz HFPQTUNNGQUYMS-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001024613579 735983070 /nfs/dbraw/zinc/98/30/70/735983070.db2.gz AEVWKFWEQTXVSZ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024613579 735983073 /nfs/dbraw/zinc/98/30/73/735983073.db2.gz AEVWKFWEQTXVSZ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001024613579 735983076 /nfs/dbraw/zinc/98/30/76/735983076.db2.gz AEVWKFWEQTXVSZ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104682885 736516641 /nfs/dbraw/zinc/51/66/41/736516641.db2.gz CTQOXWQPZQENBG-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001025468043 736703104 /nfs/dbraw/zinc/70/31/04/736703104.db2.gz HIXMSIOYQWGVKI-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001025818000 736869309 /nfs/dbraw/zinc/86/93/09/736869309.db2.gz KIBMIBDWVOJUKZ-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001025818000 736869315 /nfs/dbraw/zinc/86/93/15/736869315.db2.gz KIBMIBDWVOJUKZ-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001025818000 736869318 /nfs/dbraw/zinc/86/93/18/736869318.db2.gz KIBMIBDWVOJUKZ-ZOFXXKQRSA-N 2 1 301.434 1.073 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026100110 737118224 /nfs/dbraw/zinc/11/82/24/737118224.db2.gz WNMPGUBPHZWORU-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026100110 737118225 /nfs/dbraw/zinc/11/82/25/737118225.db2.gz WNMPGUBPHZWORU-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026100110 737118228 /nfs/dbraw/zinc/11/82/28/737118228.db2.gz WNMPGUBPHZWORU-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001038353854 737126065 /nfs/dbraw/zinc/12/60/65/737126065.db2.gz PSQBHGSBKUTMGD-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267673 739255556 /nfs/dbraw/zinc/25/55/56/739255556.db2.gz MUJJGHHXEXFLAO-CQSZACIVSA-N 2 1 300.406 1.365 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001028267673 739255559 /nfs/dbraw/zinc/25/55/59/739255559.db2.gz MUJJGHHXEXFLAO-CQSZACIVSA-N 2 1 300.406 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544985 739650024 /nfs/dbraw/zinc/65/00/24/739650024.db2.gz LYKUTAJZRPAREW-DOTOQJQBSA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001035424051 751482799 /nfs/dbraw/zinc/48/27/99/751482799.db2.gz QZYUQSABFGMBQF-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001035424051 751482801 /nfs/dbraw/zinc/48/28/01/751482801.db2.gz QZYUQSABFGMBQF-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035424051 751482804 /nfs/dbraw/zinc/48/28/04/751482804.db2.gz QZYUQSABFGMBQF-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001035424051 751482806 /nfs/dbraw/zinc/48/28/06/751482806.db2.gz QZYUQSABFGMBQF-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028765210 740009196 /nfs/dbraw/zinc/00/91/96/740009196.db2.gz SWBQTSAJFLRAPI-CQSZACIVSA-N 2 1 305.422 1.969 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]2C1 ZINC001087985764 740918524 /nfs/dbraw/zinc/91/85/24/740918524.db2.gz CJYXRLNHGLJRDJ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985764 740918526 /nfs/dbraw/zinc/91/85/26/740918526.db2.gz CJYXRLNHGLJRDJ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001087985764 740918528 /nfs/dbraw/zinc/91/85/28/740918528.db2.gz CJYXRLNHGLJRDJ-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3C)C[C@@H]2C1 ZINC001088014271 740946902 /nfs/dbraw/zinc/94/69/02/740946902.db2.gz MVOMFPBQPWDXHT-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082028 741008095 /nfs/dbraw/zinc/00/80/95/741008095.db2.gz QPIHSKUJFQRMQH-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082028 741008097 /nfs/dbraw/zinc/00/80/97/741008097.db2.gz QPIHSKUJFQRMQH-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]2C1 ZINC001088082028 741008099 /nfs/dbraw/zinc/00/80/99/741008099.db2.gz QPIHSKUJFQRMQH-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001088158007 741071389 /nfs/dbraw/zinc/07/13/89/741071389.db2.gz RWMKXNMHLIYQDL-MSOLQXFVSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001088323685 741385967 /nfs/dbraw/zinc/38/59/67/741385967.db2.gz VTTGVLLSOOHAJC-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883028 741657902 /nfs/dbraw/zinc/65/79/02/741657902.db2.gz SIAFHHNJUNNILT-ARFHVFGLSA-N 2 1 314.433 1.869 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]2C1 ZINC001075883028 741657904 /nfs/dbraw/zinc/65/79/04/741657904.db2.gz SIAFHHNJUNNILT-ARFHVFGLSA-N 2 1 314.433 1.869 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nccn3C2)[C@H]1C ZINC001088678264 742070059 /nfs/dbraw/zinc/07/00/59/742070059.db2.gz MVAHJMFOWDMMSY-KFWWJZLASA-N 2 1 302.422 1.601 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)CC2 ZINC001035675704 751755072 /nfs/dbraw/zinc/75/50/72/751755072.db2.gz AKJHVHFRCDXHST-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CC2 ZINC001035675704 751755078 /nfs/dbraw/zinc/75/50/78/751755078.db2.gz AKJHVHFRCDXHST-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518692 743246750 /nfs/dbraw/zinc/24/67/50/743246750.db2.gz YZQBSIWKYFOMHE-SFNKJDCFSA-N 2 1 319.493 1.814 20 30 DDEDMP C=CC[NH2+]C[C@]1(C)CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001181963104 743395474 /nfs/dbraw/zinc/39/54/74/743395474.db2.gz ZGZVUCQZVKDXQB-CXAGYDPISA-N 2 1 320.437 1.610 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001182124837 743485231 /nfs/dbraw/zinc/48/52/31/743485231.db2.gz DFIWIXZJAGMSFY-RHSMWYFYSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](OC)C1 ZINC001212486963 743636386 /nfs/dbraw/zinc/63/63/86/743636386.db2.gz LRUVLWIGUVQFDD-HUUCEWRRSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212486963 743636389 /nfs/dbraw/zinc/63/63/89/743636389.db2.gz LRUVLWIGUVQFDD-HUUCEWRRSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](OC)C1 ZINC001212486963 743636391 /nfs/dbraw/zinc/63/63/91/743636391.db2.gz LRUVLWIGUVQFDD-HUUCEWRRSA-N 2 1 311.470 1.498 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC001035779415 751865612 /nfs/dbraw/zinc/86/56/12/751865612.db2.gz PVHJDUXKHZQWKX-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088897478 744353121 /nfs/dbraw/zinc/35/31/21/744353121.db2.gz KSAKMNQOMQWEQE-ZACQAIPSSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)CC2 ZINC001035810898 751914149 /nfs/dbraw/zinc/91/41/49/751914149.db2.gz VDQIQGDLSWTKNO-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001045922004 744393456 /nfs/dbraw/zinc/39/34/56/744393456.db2.gz WRAJKUROVZSCDI-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C2 ZINC001045922004 744393460 /nfs/dbraw/zinc/39/34/60/744393460.db2.gz WRAJKUROVZSCDI-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001045922004 744393464 /nfs/dbraw/zinc/39/34/64/744393464.db2.gz WRAJKUROVZSCDI-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(Br)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186807697 744446134 /nfs/dbraw/zinc/44/61/34/744446134.db2.gz CRNVYMNYNWEZOK-GFCCVEGCSA-N 2 1 318.259 1.427 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958371 744639971 /nfs/dbraw/zinc/63/99/71/744639971.db2.gz SUTRVYTUAHGLHG-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958371 744639973 /nfs/dbraw/zinc/63/99/73/744639973.db2.gz SUTRVYTUAHGLHG-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958371 744639975 /nfs/dbraw/zinc/63/99/75/744639975.db2.gz SUTRVYTUAHGLHG-YYIAUSFCSA-N 2 1 305.466 1.826 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992487768 744914082 /nfs/dbraw/zinc/91/40/82/744914082.db2.gz MFGVIQQKAGAINR-WBVHZDCISA-N 2 1 300.406 1.328 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC000992487768 744914083 /nfs/dbraw/zinc/91/40/83/744914083.db2.gz MFGVIQQKAGAINR-WBVHZDCISA-N 2 1 300.406 1.328 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001110417385 744964826 /nfs/dbraw/zinc/96/48/26/744964826.db2.gz XBTQWFRVBMHTET-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001110417385 744964828 /nfs/dbraw/zinc/96/48/28/744964828.db2.gz XBTQWFRVBMHTET-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001110417385 744964830 /nfs/dbraw/zinc/96/48/30/744964830.db2.gz XBTQWFRVBMHTET-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001110417385 744964834 /nfs/dbraw/zinc/96/48/34/744964834.db2.gz XBTQWFRVBMHTET-WCVJEAGWSA-N 2 1 307.438 1.005 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248000 745160191 /nfs/dbraw/zinc/16/01/91/745160191.db2.gz VXLIRUPSDJQKPF-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001190248000 745160196 /nfs/dbraw/zinc/16/01/96/745160196.db2.gz VXLIRUPSDJQKPF-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654460 745286160 /nfs/dbraw/zinc/28/61/60/745286160.db2.gz KAKSGAMWSNALGX-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654460 745286162 /nfs/dbraw/zinc/28/61/62/745286162.db2.gz KAKSGAMWSNALGX-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654460 745286168 /nfs/dbraw/zinc/28/61/68/745286168.db2.gz KAKSGAMWSNALGX-IAGOWNOFSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001106249168 745461207 /nfs/dbraw/zinc/46/12/07/745461207.db2.gz BFDQKBZNXSXQEH-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089334973 745783015 /nfs/dbraw/zinc/78/30/15/745783015.db2.gz LSCZTXRFIHCXSM-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089334973 745783021 /nfs/dbraw/zinc/78/30/21/745783021.db2.gz LSCZTXRFIHCXSM-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC001089334973 745783026 /nfs/dbraw/zinc/78/30/26/745783026.db2.gz LSCZTXRFIHCXSM-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099239539 745836331 /nfs/dbraw/zinc/83/63/31/745836331.db2.gz GPBNIHRYNXQQAF-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001099239539 745836335 /nfs/dbraw/zinc/83/63/35/745836335.db2.gz GPBNIHRYNXQQAF-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001099239539 745836338 /nfs/dbraw/zinc/83/63/38/745836338.db2.gz GPBNIHRYNXQQAF-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106668451 745890055 /nfs/dbraw/zinc/89/00/55/745890055.db2.gz LEXLGZRLUHHKND-HZPDHXFCSA-N 2 1 305.466 1.426 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077954 745970066 /nfs/dbraw/zinc/97/00/66/745970066.db2.gz PGPZIBFXYQCKMA-MRXNPFEDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106728984 745976413 /nfs/dbraw/zinc/97/64/13/745976413.db2.gz BODRLZGRXJCHLC-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500504 746114315 /nfs/dbraw/zinc/11/43/15/746114315.db2.gz WBOPOIPOJYWMRG-CQSZACIVSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001089421876 746844650 /nfs/dbraw/zinc/84/46/50/746844650.db2.gz ZAMOCXJXTPPUEU-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001003056115 746945676 /nfs/dbraw/zinc/94/56/76/746945676.db2.gz LJMIWEIRADNGGZ-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCC2)CC1 ZINC001003056115 746945678 /nfs/dbraw/zinc/94/56/78/746945678.db2.gz LJMIWEIRADNGGZ-KRWDZBQOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)CC(C)(C)C1 ZINC001089549363 747197407 /nfs/dbraw/zinc/19/74/07/747197407.db2.gz XFJDXRNBRSKUTE-OAHLLOKOSA-N 2 1 316.449 1.891 20 30 DDEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001031730210 747585106 /nfs/dbraw/zinc/58/51/06/747585106.db2.gz HDLZQIAFZOYBHK-QGZVFWFLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001089658109 747607851 /nfs/dbraw/zinc/60/78/51/747607851.db2.gz IBRUMIYCMHVSSX-OWCLPIDISA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001089658109 747607854 /nfs/dbraw/zinc/60/78/54/747607854.db2.gz IBRUMIYCMHVSSX-OWCLPIDISA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001089658109 747607856 /nfs/dbraw/zinc/60/78/56/747607856.db2.gz IBRUMIYCMHVSSX-OWCLPIDISA-N 2 1 323.481 1.498 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001089658109 747607859 /nfs/dbraw/zinc/60/78/59/747607859.db2.gz IBRUMIYCMHVSSX-OWCLPIDISA-N 2 1 323.481 1.498 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1OC ZINC001198992557 747677037 /nfs/dbraw/zinc/67/70/37/747677037.db2.gz CRPXTJVNDJVSFI-MRXNPFEDSA-N 2 1 317.433 1.416 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1OC ZINC001198992557 747677044 /nfs/dbraw/zinc/67/70/44/747677044.db2.gz CRPXTJVNDJVSFI-MRXNPFEDSA-N 2 1 317.433 1.416 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCCO1 ZINC001201411487 748506821 /nfs/dbraw/zinc/50/68/21/748506821.db2.gz RQNUZWCAFAAMFS-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1cnc[nH]1 ZINC001089871384 748510517 /nfs/dbraw/zinc/51/05/17/748510517.db2.gz YNXBLWJKAWTJCI-HNKHHVNMSA-N 2 1 300.406 1.307 20 30 DDEDMP CC#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033222567 748976804 /nfs/dbraw/zinc/97/68/04/748976804.db2.gz HGASAPDSDMVFEZ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033222567 748976808 /nfs/dbraw/zinc/97/68/08/748976808.db2.gz HGASAPDSDMVFEZ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001033222567 748976813 /nfs/dbraw/zinc/97/68/13/748976813.db2.gz HGASAPDSDMVFEZ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001033222567 748976816 /nfs/dbraw/zinc/97/68/16/748976816.db2.gz HGASAPDSDMVFEZ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001033222567 748976820 /nfs/dbraw/zinc/97/68/20/748976820.db2.gz HGASAPDSDMVFEZ-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001014729913 749489549 /nfs/dbraw/zinc/48/95/49/749489549.db2.gz TVNMSENSQAYIJE-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001014729913 749489555 /nfs/dbraw/zinc/48/95/55/749489555.db2.gz TVNMSENSQAYIJE-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001014729913 749489558 /nfs/dbraw/zinc/48/95/58/749489558.db2.gz TVNMSENSQAYIJE-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001202708179 749506120 /nfs/dbraw/zinc/50/61/20/749506120.db2.gz QOTZDLGTPBCHPH-UHFFFAOYSA-N 2 1 302.422 1.610 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000996618143 749792124 /nfs/dbraw/zinc/79/21/24/749792124.db2.gz DKJPGRHYVCSVHD-HZPDHXFCSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001095424022 749885281 /nfs/dbraw/zinc/88/52/81/749885281.db2.gz BPJGKJHSTGNUKO-QZWWFDLISA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107596931 750196284 /nfs/dbraw/zinc/19/62/84/750196284.db2.gz RXVVIFNFRGZQIY-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107596931 750196289 /nfs/dbraw/zinc/19/62/89/750196289.db2.gz RXVVIFNFRGZQIY-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107596931 750196296 /nfs/dbraw/zinc/19/62/96/750196296.db2.gz RXVVIFNFRGZQIY-SJLPKXTDSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001034678976 750683477 /nfs/dbraw/zinc/68/34/77/750683477.db2.gz AKYFPYOLSNCKMM-HDJSIYSDSA-N 2 1 320.437 1.943 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001034733213 750779432 /nfs/dbraw/zinc/77/94/32/750779432.db2.gz SMBYTEFUTDDQHO-BZUAXINKSA-N 2 1 314.433 1.404 20 30 DDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000997636924 751171860 /nfs/dbraw/zinc/17/18/60/751171860.db2.gz SWRBAHDWSNHWQA-HLLBOEOZSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000997636924 751171861 /nfs/dbraw/zinc/17/18/61/751171861.db2.gz SWRBAHDWSNHWQA-HLLBOEOZSA-N 2 1 323.481 1.498 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108417691 762111377 /nfs/dbraw/zinc/11/13/77/762111377.db2.gz FOWLZNONVZASIG-GOSISDBHSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108417691 762111384 /nfs/dbraw/zinc/11/13/84/762111384.db2.gz FOWLZNONVZASIG-GOSISDBHSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+]3CCC1CC3)CC2 ZINC001035185129 751277139 /nfs/dbraw/zinc/27/71/39/751277139.db2.gz VDWCYOKMXUEJOG-KRWDZBQOSA-N 2 1 315.461 1.276 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035259566 751336998 /nfs/dbraw/zinc/33/69/98/751336998.db2.gz YHKAEDUNNPPOBN-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035259566 751337003 /nfs/dbraw/zinc/33/70/03/751337003.db2.gz YHKAEDUNNPPOBN-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001035259566 751337010 /nfs/dbraw/zinc/33/70/10/751337010.db2.gz YHKAEDUNNPPOBN-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001008276141 752648430 /nfs/dbraw/zinc/64/84/30/752648430.db2.gz KQIFFTUOGAMJCA-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008276141 752648435 /nfs/dbraw/zinc/64/84/35/752648435.db2.gz KQIFFTUOGAMJCA-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008276141 752648442 /nfs/dbraw/zinc/64/84/42/752648442.db2.gz KQIFFTUOGAMJCA-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000999402591 752891905 /nfs/dbraw/zinc/89/19/05/752891905.db2.gz VKBKWIXOXCPXQH-NFOMZHRRSA-N 2 1 302.422 1.519 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009612030 753278304 /nfs/dbraw/zinc/27/83/04/753278304.db2.gz PZJLZPONYGHPMP-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001107997981 753394530 /nfs/dbraw/zinc/39/45/30/753394530.db2.gz GJIJBKDMZOUKOT-FUHWJXTLSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001005986678 753462712 /nfs/dbraw/zinc/46/27/12/753462712.db2.gz KKVMSIPVUCPXPO-HNNXBMFYSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC2(CCOCC2)C1 ZINC001089967508 753927771 /nfs/dbraw/zinc/92/77/71/753927771.db2.gz FFDHYVBKQLSZHV-HOTGVXAUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967508 753927775 /nfs/dbraw/zinc/92/77/75/753927775.db2.gz FFDHYVBKQLSZHV-HOTGVXAUSA-N 2 1 321.465 1.111 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC2(CCOCC2)C1 ZINC001089967508 753927780 /nfs/dbraw/zinc/92/77/80/753927780.db2.gz FFDHYVBKQLSZHV-HOTGVXAUSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC)CC1 ZINC001032800414 754060639 /nfs/dbraw/zinc/06/06/39/754060639.db2.gz IBUHIHVFJOKZFK-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081799616 756483694 /nfs/dbraw/zinc/48/36/94/756483694.db2.gz XCLYBZBPNLZQPW-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081799616 756483696 /nfs/dbraw/zinc/48/36/96/756483696.db2.gz XCLYBZBPNLZQPW-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081799616 756483699 /nfs/dbraw/zinc/48/36/99/756483699.db2.gz XCLYBZBPNLZQPW-BRWVUGGUSA-N 2 1 323.481 1.641 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](CC(C)C)C1)C2 ZINC001097209758 756979536 /nfs/dbraw/zinc/97/95/36/756979536.db2.gz JOCWQEKAAQQDFR-MLHJIOFPSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](CC(C)C)C1)C2 ZINC001097209758 756979541 /nfs/dbraw/zinc/97/95/41/756979541.db2.gz JOCWQEKAAQQDFR-MLHJIOFPSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C2 ZINC001097209758 756979543 /nfs/dbraw/zinc/97/95/43/756979543.db2.gz JOCWQEKAAQQDFR-MLHJIOFPSA-N 2 1 317.477 1.709 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001083105119 757138725 /nfs/dbraw/zinc/13/87/25/757138725.db2.gz KEBQWAOVRXCFFF-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001083105119 757138729 /nfs/dbraw/zinc/13/87/29/757138729.db2.gz KEBQWAOVRXCFFF-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105119 757138735 /nfs/dbraw/zinc/13/87/35/757138735.db2.gz KEBQWAOVRXCFFF-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001083105119 757138740 /nfs/dbraw/zinc/13/87/40/757138740.db2.gz KEBQWAOVRXCFFF-IXDOHACOSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396512 762524045 /nfs/dbraw/zinc/52/40/45/762524045.db2.gz UTEYSMHJOKEQHE-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396512 762524053 /nfs/dbraw/zinc/52/40/53/762524053.db2.gz UTEYSMHJOKEQHE-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396512 762524056 /nfs/dbraw/zinc/52/40/56/762524056.db2.gz UTEYSMHJOKEQHE-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097706698 757394860 /nfs/dbraw/zinc/39/48/60/757394860.db2.gz CBLZHZRPVLHMAU-NCOADZHNSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097706698 757394867 /nfs/dbraw/zinc/39/48/67/757394867.db2.gz CBLZHZRPVLHMAU-NCOADZHNSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097706698 757394876 /nfs/dbraw/zinc/39/48/76/757394876.db2.gz CBLZHZRPVLHMAU-NCOADZHNSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097706698 757394882 /nfs/dbraw/zinc/39/48/82/757394882.db2.gz CBLZHZRPVLHMAU-NCOADZHNSA-N 2 1 321.465 1.393 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040496570 762563146 /nfs/dbraw/zinc/56/31/46/762563146.db2.gz KAXRKUSOZALJJK-SFHVURJKSA-N 2 1 315.461 1.420 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040527644 762579013 /nfs/dbraw/zinc/57/90/13/762579013.db2.gz HMZOXDUROGRHOH-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001040527644 762579023 /nfs/dbraw/zinc/57/90/23/762579023.db2.gz HMZOXDUROGRHOH-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001084752105 757867331 /nfs/dbraw/zinc/86/73/31/757867331.db2.gz SVTLBKKHHDNOQR-QZTJIDSGSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001017552815 758021147 /nfs/dbraw/zinc/02/11/47/758021147.db2.gz IURDUHROTIVLTD-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001017552815 758021153 /nfs/dbraw/zinc/02/11/53/758021153.db2.gz IURDUHROTIVLTD-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001017552815 758021163 /nfs/dbraw/zinc/02/11/63/758021163.db2.gz IURDUHROTIVLTD-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001017552815 758021174 /nfs/dbraw/zinc/02/11/74/758021174.db2.gz IURDUHROTIVLTD-IXDOHACOSA-N 2 1 303.450 1.558 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]21 ZINC001084958208 758098375 /nfs/dbraw/zinc/09/83/75/758098375.db2.gz QLWKFJDKTYNUEE-HYVNUMGLSA-N 2 1 305.466 1.826 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001017632651 758101184 /nfs/dbraw/zinc/10/11/84/758101184.db2.gz MFNJWAVLISIQLB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017632651 758101191 /nfs/dbraw/zinc/10/11/91/758101191.db2.gz MFNJWAVLISIQLB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017632651 758101197 /nfs/dbraw/zinc/10/11/97/758101197.db2.gz MFNJWAVLISIQLB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001018031986 758490732 /nfs/dbraw/zinc/49/07/32/758490732.db2.gz STCPVPSXUYMWRW-CALCHBBNSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040747786 762670193 /nfs/dbraw/zinc/67/01/93/762670193.db2.gz WAOWCZNWTQNRBD-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)CO2 ZINC001053945317 758981350 /nfs/dbraw/zinc/98/13/50/758981350.db2.gz SOQNMENONPJJSM-MRXNPFEDSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054108087 759173213 /nfs/dbraw/zinc/17/32/13/759173213.db2.gz OKQSLATUVRCGSW-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054108087 759173219 /nfs/dbraw/zinc/17/32/19/759173219.db2.gz OKQSLATUVRCGSW-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054108087 759173226 /nfs/dbraw/zinc/17/32/26/759173226.db2.gz OKQSLATUVRCGSW-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054108087 759173231 /nfs/dbraw/zinc/17/32/31/759173231.db2.gz OKQSLATUVRCGSW-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CN(C)CCO1)C2 ZINC001054109801 759175101 /nfs/dbraw/zinc/17/51/01/759175101.db2.gz SNZJJZIYMDYPSM-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001054109801 759175104 /nfs/dbraw/zinc/17/51/04/759175104.db2.gz SNZJJZIYMDYPSM-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001054109801 759175107 /nfs/dbraw/zinc/17/51/07/759175107.db2.gz SNZJJZIYMDYPSM-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054109801 759175110 /nfs/dbraw/zinc/17/51/10/759175110.db2.gz SNZJJZIYMDYPSM-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001054109801 759175114 /nfs/dbraw/zinc/17/51/14/759175114.db2.gz SNZJJZIYMDYPSM-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085229735 759178771 /nfs/dbraw/zinc/17/87/71/759178771.db2.gz HZQJYFYMDQRFLY-ZACQAIPSSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 ZINC001085229735 759178775 /nfs/dbraw/zinc/17/87/75/759178775.db2.gz HZQJYFYMDQRFLY-ZACQAIPSSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001054147119 759225806 /nfs/dbraw/zinc/22/58/06/759225806.db2.gz KNDSDXVKKVJLKC-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001054147119 759225819 /nfs/dbraw/zinc/22/58/19/759225819.db2.gz KNDSDXVKKVJLKC-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001054147119 759225829 /nfs/dbraw/zinc/22/58/29/759225829.db2.gz KNDSDXVKKVJLKC-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CC)C2)C1 ZINC001054147119 759225837 /nfs/dbraw/zinc/22/58/37/759225837.db2.gz KNDSDXVKKVJLKC-WMZOPIPTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001085306875 759249533 /nfs/dbraw/zinc/24/95/33/759249533.db2.gz VHAZIFMNCMGKPA-BRWVUGGUSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001054197931 759283291 /nfs/dbraw/zinc/28/32/91/759283291.db2.gz LXPXVQHMRMDAMD-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197931 759283298 /nfs/dbraw/zinc/28/32/98/759283298.db2.gz LXPXVQHMRMDAMD-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001054197931 759283302 /nfs/dbraw/zinc/28/33/02/759283302.db2.gz LXPXVQHMRMDAMD-SJLPKXTDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001054227272 759316052 /nfs/dbraw/zinc/31/60/52/759316052.db2.gz GBPNENZXTVVJTI-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001054227272 759316063 /nfs/dbraw/zinc/31/60/63/759316063.db2.gz GBPNENZXTVVJTI-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001054227272 759316073 /nfs/dbraw/zinc/31/60/73/759316073.db2.gz GBPNENZXTVVJTI-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018985647 759478873 /nfs/dbraw/zinc/47/88/73/759478873.db2.gz WXRFXHZTBRZSHW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001018985647 759478880 /nfs/dbraw/zinc/47/88/80/759478880.db2.gz WXRFXHZTBRZSHW-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001085901492 760493967 /nfs/dbraw/zinc/49/39/67/760493967.db2.gz GSWUKQBWYIZHHM-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020251621 760724306 /nfs/dbraw/zinc/72/43/06/760724306.db2.gz WPWVIEPPOLWBJF-BZSNNMDCSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001020251621 760724312 /nfs/dbraw/zinc/72/43/12/760724312.db2.gz WPWVIEPPOLWBJF-BZSNNMDCSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001006298602 761461646 /nfs/dbraw/zinc/46/16/46/761461646.db2.gz KLOCGSQLJAPYOO-UHFFFAOYSA-N 2 1 311.857 1.758 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC001000156738 761546856 /nfs/dbraw/zinc/54/68/56/761546856.db2.gz ICCJNSVBEQTYBN-DLBZAZTESA-N 2 1 317.477 1.711 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000187329 761561809 /nfs/dbraw/zinc/56/18/09/761561809.db2.gz GWROYQRAWVNSRZ-GDBMZVCRSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001000187329 761561817 /nfs/dbraw/zinc/56/18/17/761561817.db2.gz GWROYQRAWVNSRZ-GDBMZVCRSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242832 761881264 /nfs/dbraw/zinc/88/12/64/761881264.db2.gz RKXWDGPUCOOYRA-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041139804 762834448 /nfs/dbraw/zinc/83/44/48/762834448.db2.gz HLVMPFDRCDERID-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001108717562 762874554 /nfs/dbraw/zinc/87/45/54/762874554.db2.gz OQQCZNUGZFGIRE-XHSDSOJGSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041277243 762928301 /nfs/dbraw/zinc/92/83/01/762928301.db2.gz OGBHKFWOSAMEQZ-AEFFLSMTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041277243 762928304 /nfs/dbraw/zinc/92/83/04/762928304.db2.gz OGBHKFWOSAMEQZ-AEFFLSMTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041277243 762928308 /nfs/dbraw/zinc/92/83/08/762928308.db2.gz OGBHKFWOSAMEQZ-AEFFLSMTSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001521249 762934462 /nfs/dbraw/zinc/93/44/62/762934462.db2.gz ISDHCDHTHPSJHU-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041676093 763216155 /nfs/dbraw/zinc/21/61/55/763216155.db2.gz URXZHOUKLMMZPL-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041676093 763216162 /nfs/dbraw/zinc/21/61/62/763216162.db2.gz URXZHOUKLMMZPL-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001041676093 763216169 /nfs/dbraw/zinc/21/61/69/763216169.db2.gz URXZHOUKLMMZPL-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788808 763332715 /nfs/dbraw/zinc/33/27/15/763332715.db2.gz JEBHJWQGTHRLIQ-MRXNPFEDSA-N 2 1 323.868 1.759 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001041788808 763332725 /nfs/dbraw/zinc/33/27/25/763332725.db2.gz JEBHJWQGTHRLIQ-MRXNPFEDSA-N 2 1 323.868 1.759 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041835893 763391907 /nfs/dbraw/zinc/39/19/07/763391907.db2.gz XRDKUMRHFSAUOA-WMZOPIPTSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001042216669 763779598 /nfs/dbraw/zinc/77/95/98/763779598.db2.gz QJLLNLZSYANERX-WBVHZDCISA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)CC1 ZINC001050664954 763890406 /nfs/dbraw/zinc/89/04/06/763890406.db2.gz TXLBDMMVKJZSEC-JKSUJKDBSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109650168 763909846 /nfs/dbraw/zinc/90/98/46/763909846.db2.gz WQOKVGWSDSOXGA-PMPSAXMXSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977699 764250792 /nfs/dbraw/zinc/25/07/92/764250792.db2.gz VXVTWUNLWQMZSS-NCOADZHNSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131692516 768275116 /nfs/dbraw/zinc/27/51/16/768275116.db2.gz HWXJVGRKGBGNSK-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692516 768275121 /nfs/dbraw/zinc/27/51/21/768275121.db2.gz HWXJVGRKGBGNSK-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692516 768275125 /nfs/dbraw/zinc/27/51/25/768275125.db2.gz HWXJVGRKGBGNSK-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCCCC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001113432166 765687416 /nfs/dbraw/zinc/68/74/16/765687416.db2.gz OVAVUAPQWYIJQU-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C(C)C)C3)CC1 ZINC001047209845 768316547 /nfs/dbraw/zinc/31/65/47/768316547.db2.gz YCGGLRTZZZZWNM-SZMVWBNQSA-N 2 1 317.477 1.709 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001052425929 765815637 /nfs/dbraw/zinc/81/56/37/765815637.db2.gz HJGSMEWOSFLWLT-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425929 765815643 /nfs/dbraw/zinc/81/56/43/765815643.db2.gz HJGSMEWOSFLWLT-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001052425929 765815651 /nfs/dbraw/zinc/81/56/51/765815651.db2.gz HJGSMEWOSFLWLT-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC)CC1 ZINC001052459460 765849184 /nfs/dbraw/zinc/84/91/84/765849184.db2.gz OLQUJKJDLDVBNR-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC)CC1 ZINC001052459460 765849192 /nfs/dbraw/zinc/84/91/92/765849192.db2.gz OLQUJKJDLDVBNR-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC)CC1 ZINC001052459460 765849201 /nfs/dbraw/zinc/84/92/01/765849201.db2.gz OLQUJKJDLDVBNR-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC)CC1 ZINC001052459460 765849210 /nfs/dbraw/zinc/84/92/10/765849210.db2.gz OLQUJKJDLDVBNR-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001113644102 765968793 /nfs/dbraw/zinc/96/87/93/765968793.db2.gz FZHPSHZHJHECQT-UHFFFAOYSA-N 2 1 323.481 1.599 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653236 766039911 /nfs/dbraw/zinc/03/99/11/766039911.db2.gz JDYGMXBJYHRDAT-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653236 766039917 /nfs/dbraw/zinc/03/99/17/766039917.db2.gz JDYGMXBJYHRDAT-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653236 766039925 /nfs/dbraw/zinc/03/99/25/766039925.db2.gz JDYGMXBJYHRDAT-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653236 766039932 /nfs/dbraw/zinc/03/99/32/766039932.db2.gz JDYGMXBJYHRDAT-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045439101 766307419 /nfs/dbraw/zinc/30/74/19/766307419.db2.gz ZEOCNFFHTIHUDP-HZPDHXFCSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001045584589 766419424 /nfs/dbraw/zinc/41/94/24/766419424.db2.gz HZKOCSKQJVMMKU-HOTGVXAUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045984299 766760936 /nfs/dbraw/zinc/76/09/36/766760936.db2.gz WZUAEYXEKVTRAM-IBGZPJMESA-N 2 1 317.477 1.810 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129428924 766874190 /nfs/dbraw/zinc/87/41/90/766874190.db2.gz BBUWBRGNDKFBBQ-INIZCTEOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577446 767706412 /nfs/dbraw/zinc/70/64/12/767706412.db2.gz XQDHEOFURNTRIA-YJBOKZPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046577446 767706414 /nfs/dbraw/zinc/70/64/14/767706414.db2.gz XQDHEOFURNTRIA-YJBOKZPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@H]1C ZINC001132406771 768809272 /nfs/dbraw/zinc/80/92/72/768809272.db2.gz OWZPJLZQUBTLIF-CABCVRRESA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001048538304 769507660 /nfs/dbraw/zinc/50/76/60/769507660.db2.gz PQERJCGTADSUOC-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538304 769507667 /nfs/dbraw/zinc/50/76/67/769507667.db2.gz PQERJCGTADSUOC-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001048538304 769507669 /nfs/dbraw/zinc/50/76/69/769507669.db2.gz PQERJCGTADSUOC-XMTFNYHQSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071689307 769883342 /nfs/dbraw/zinc/88/33/42/769883342.db2.gz INNNCUWKRIOQGQ-GDBMZVCRSA-N 2 1 310.401 1.940 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C#N)s1)CC(C)(C)C ZINC001133899601 770441308 /nfs/dbraw/zinc/44/13/08/770441308.db2.gz NYOHSJHRZJZKAB-UHFFFAOYSA-N 2 1 322.478 1.803 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001072095824 770536183 /nfs/dbraw/zinc/53/61/83/770536183.db2.gz OUCMGCMWUKPNBA-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCF)C2)CC1 ZINC001072099669 770541107 /nfs/dbraw/zinc/54/11/07/770541107.db2.gz VKSMOGJJGCNVRQ-RDJZCZTQSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001086716764 770623044 /nfs/dbraw/zinc/62/30/44/770623044.db2.gz PVQVPTAIKUTCIY-YESZJQIVSA-N 2 1 305.466 1.472 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761443 771140314 /nfs/dbraw/zinc/14/03/14/771140314.db2.gz KFJPNFNYSZISIS-CVEARBPZSA-N 2 1 314.433 1.705 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001049761443 771140317 /nfs/dbraw/zinc/14/03/17/771140317.db2.gz KFJPNFNYSZISIS-CVEARBPZSA-N 2 1 314.433 1.705 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846188 771203583 /nfs/dbraw/zinc/20/35/83/771203583.db2.gz GGUSIVIODHPHKK-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847408 771204550 /nfs/dbraw/zinc/20/45/50/771204550.db2.gz WPTRLIVQGMTNAO-JKSUJKDBSA-N 2 1 301.434 1.171 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001049892086 771238674 /nfs/dbraw/zinc/23/86/74/771238674.db2.gz ZIHQKKGAUVCJNN-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049892086 771238677 /nfs/dbraw/zinc/23/86/77/771238677.db2.gz ZIHQKKGAUVCJNN-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001049892086 771238679 /nfs/dbraw/zinc/23/86/79/771238679.db2.gz ZIHQKKGAUVCJNN-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086784994 771726362 /nfs/dbraw/zinc/72/63/62/771726362.db2.gz FGMIOMQYYYXTFC-GVDBMIGSSA-N 2 1 323.481 1.546 20 30 DDEDMP N#Cc1cccc2c1CC[C@H]2Nc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001171059872 772195304 /nfs/dbraw/zinc/19/53/04/772195304.db2.gz PEHBOPGHUUDIDB-MRXNPFEDSA-N 2 1 320.400 1.857 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092016016 773922986 /nfs/dbraw/zinc/92/29/86/773922986.db2.gz YNLJIGAYYCRMQD-QAPCUYQASA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092016016 773922989 /nfs/dbraw/zinc/92/29/89/773922989.db2.gz YNLJIGAYYCRMQD-QAPCUYQASA-N 2 1 303.450 1.132 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001092016016 773922994 /nfs/dbraw/zinc/92/29/94/773922994.db2.gz YNLJIGAYYCRMQD-QAPCUYQASA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911843 774299765 /nfs/dbraw/zinc/29/97/65/774299765.db2.gz ZYQHAJIJAUSSEQ-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911843 774299769 /nfs/dbraw/zinc/29/97/69/774299769.db2.gz ZYQHAJIJAUSSEQ-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001092911843 774299772 /nfs/dbraw/zinc/29/97/72/774299772.db2.gz ZYQHAJIJAUSSEQ-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001093413200 774674008 /nfs/dbraw/zinc/67/40/08/774674008.db2.gz NVEUFVWGYIYHFP-HJOIGYKYSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098946283 774734705 /nfs/dbraw/zinc/73/47/05/774734705.db2.gz KSWYLFHBNQFEDO-RDJZCZTQSA-N 2 1 300.406 1.186 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098946283 774734708 /nfs/dbraw/zinc/73/47/08/774734708.db2.gz KSWYLFHBNQFEDO-RDJZCZTQSA-N 2 1 300.406 1.186 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899694 775399338 /nfs/dbraw/zinc/39/93/38/775399338.db2.gz WYRPABZUPKMDFJ-GJZGRUSLSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899694 775399349 /nfs/dbraw/zinc/39/93/49/775399349.db2.gz WYRPABZUPKMDFJ-GJZGRUSLSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899694 775399362 /nfs/dbraw/zinc/39/93/62/775399362.db2.gz WYRPABZUPKMDFJ-GJZGRUSLSA-N 2 1 311.470 1.234 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036895941 776006617 /nfs/dbraw/zinc/00/66/17/776006617.db2.gz GYKSTHTYPZKXAD-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@H]21 ZINC001036895941 776006621 /nfs/dbraw/zinc/00/66/21/776006621.db2.gz GYKSTHTYPZKXAD-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001100677371 776429738 /nfs/dbraw/zinc/42/97/38/776429738.db2.gz KGRUXUUMPGIVHB-HWOWSKLDSA-N 2 1 314.433 1.262 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101363231 777096884 /nfs/dbraw/zinc/09/68/84/777096884.db2.gz RKQRHUMFATUSDT-LMMKCTJWSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001150291131 777378978 /nfs/dbraw/zinc/37/89/78/777378978.db2.gz JICIVVBBUFEUII-HZPDHXFCSA-N 2 1 311.470 1.356 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001175703720 777889585 /nfs/dbraw/zinc/88/95/85/777889585.db2.gz KCXHNTJYKZIYAC-HNNXBMFYSA-N 2 1 304.438 1.870 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001176023838 778003191 /nfs/dbraw/zinc/00/31/91/778003191.db2.gz JSTSUTNMXPUBOF-MRXNPFEDSA-N 2 1 313.486 1.795 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102465941 778155175 /nfs/dbraw/zinc/15/51/75/778155175.db2.gz DFHPDJIYNMWUPZ-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102465941 778155178 /nfs/dbraw/zinc/15/51/78/778155178.db2.gz DFHPDJIYNMWUPZ-GDBMZVCRSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060217 778608918 /nfs/dbraw/zinc/60/89/18/778608918.db2.gz AXXZDUJTQYIIDV-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060217 778608923 /nfs/dbraw/zinc/60/89/23/778608923.db2.gz AXXZDUJTQYIIDV-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060217 778608926 /nfs/dbraw/zinc/60/89/26/778608926.db2.gz AXXZDUJTQYIIDV-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497592 778904867 /nfs/dbraw/zinc/90/48/67/778904867.db2.gz NZFOTYXOALLNCH-NVXWUHKLSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891437 779212365 /nfs/dbraw/zinc/21/23/65/779212365.db2.gz SWGOUOQDNNCVBB-KKUMJFAQSA-N 2 1 302.422 1.916 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179586565 779419605 /nfs/dbraw/zinc/41/96/05/779419605.db2.gz QHSAOGSWTRJXCK-SJORKVTESA-N 2 1 323.481 1.100 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001179725070 779468757 /nfs/dbraw/zinc/46/87/57/779468757.db2.gz IDQRHVUOFNIHFN-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CCCCC1 ZINC001120010386 781721750 /nfs/dbraw/zinc/72/17/50/781721750.db2.gz PNHDXILPEOTDKM-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001120130052 781777036 /nfs/dbraw/zinc/77/70/36/781777036.db2.gz SYKBYQGUNURPMA-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267248869 837667725 /nfs/dbraw/zinc/66/77/25/837667725.db2.gz IUJDHCJIPQIVNW-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267248869 837667728 /nfs/dbraw/zinc/66/77/28/837667728.db2.gz IUJDHCJIPQIVNW-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266440617 836255766 /nfs/dbraw/zinc/25/57/66/836255766.db2.gz ZWEXXEJREQUQSR-QGZVFWFLSA-N 2 1 307.482 1.958 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001266548913 836450314 /nfs/dbraw/zinc/45/03/14/836450314.db2.gz JXARULPKZZRANP-SJORKVTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267086278 837314638 /nfs/dbraw/zinc/31/46/38/837314638.db2.gz UFFCTJGMDBZYCQ-KGLIPLIRSA-N 2 1 320.437 1.943 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267548134 838285523 /nfs/dbraw/zinc/28/55/23/838285523.db2.gz ZFIGQCPHGPTTJP-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267548134 838285529 /nfs/dbraw/zinc/28/55/29/838285529.db2.gz ZFIGQCPHGPTTJP-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267548134 838285535 /nfs/dbraw/zinc/28/55/35/838285535.db2.gz ZFIGQCPHGPTTJP-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267590470 838380801 /nfs/dbraw/zinc/38/08/01/838380801.db2.gz SRFBHJJONXMVJD-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267604645 838423737 /nfs/dbraw/zinc/42/37/37/838423737.db2.gz ZLHZOLHSLJDTPG-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001267622266 838512843 /nfs/dbraw/zinc/51/28/43/838512843.db2.gz SROPOYXVJGKFBO-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001267684820 838638614 /nfs/dbraw/zinc/63/86/14/838638614.db2.gz SIWVPJZUKMQFGY-QAPCUYQASA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001267684820 838638617 /nfs/dbraw/zinc/63/86/17/838638617.db2.gz SIWVPJZUKMQFGY-QAPCUYQASA-N 2 1 323.456 1.612 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001267684820 838638619 /nfs/dbraw/zinc/63/86/19/838638619.db2.gz SIWVPJZUKMQFGY-QAPCUYQASA-N 2 1 323.456 1.612 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267963406 839282035 /nfs/dbraw/zinc/28/20/35/839282035.db2.gz NFEPULJHXPBRPE-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001272053843 844463231 /nfs/dbraw/zinc/46/32/31/844463231.db2.gz QCZHFHLEJSROPN-QZTJIDSGSA-N 2 1 317.477 1.951 20 30 DDEDMP CC#CC[N@@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001268201719 839831846 /nfs/dbraw/zinc/83/18/46/839831846.db2.gz XUZLRXQVRNNTLB-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001269078805 841182845 /nfs/dbraw/zinc/18/28/45/841182845.db2.gz SYMYNDNMBIXHTD-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#Cc2ccccc2)C1 ZINC001269078805 841182851 /nfs/dbraw/zinc/18/28/51/841182851.db2.gz SYMYNDNMBIXHTD-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001269078805 841182858 /nfs/dbraw/zinc/18/28/58/841182858.db2.gz SYMYNDNMBIXHTD-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001269078805 841182862 /nfs/dbraw/zinc/18/28/62/841182862.db2.gz SYMYNDNMBIXHTD-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001269718826 841971499 /nfs/dbraw/zinc/97/14/99/841971499.db2.gz DSBIHNNDERRSFJ-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP CC#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001270087905 842285562 /nfs/dbraw/zinc/28/55/62/842285562.db2.gz FXYBPJNKLYEOQK-UHFFFAOYSA-N 2 1 301.434 1.756 20 30 DDEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001270486654 842612854 /nfs/dbraw/zinc/61/28/54/842612854.db2.gz OJEPDLVXUAPEJA-DLBZAZTESA-N 2 1 323.481 1.100 20 30 DDEDMP C#CCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154785081 861452413 /nfs/dbraw/zinc/45/24/13/861452413.db2.gz YVTRWIHSSQOSNH-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154785081 861452416 /nfs/dbraw/zinc/45/24/16/861452416.db2.gz YVTRWIHSSQOSNH-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001154785081 861452421 /nfs/dbraw/zinc/45/24/21/861452421.db2.gz YVTRWIHSSQOSNH-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001271748897 843836237 /nfs/dbraw/zinc/83/62/37/843836237.db2.gz BVRLAWLLYRPDTG-GOEBONIOSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034211860 848118402 /nfs/dbraw/zinc/11/84/02/848118402.db2.gz PEDWMKUXSORKTG-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034341005 848355285 /nfs/dbraw/zinc/35/52/85/848355285.db2.gz XVERLSHKWSOXLG-MRXNPFEDSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001034365254 848421561 /nfs/dbraw/zinc/42/15/61/848421561.db2.gz YZEUEXJBBSKOHS-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034365254 848421563 /nfs/dbraw/zinc/42/15/63/848421563.db2.gz YZEUEXJBBSKOHS-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001034365254 848421566 /nfs/dbraw/zinc/42/15/66/848421566.db2.gz YZEUEXJBBSKOHS-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001149855396 861943499 /nfs/dbraw/zinc/94/34/99/861943499.db2.gz XSEWNWLWSZXSBA-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855396 861943501 /nfs/dbraw/zinc/94/35/01/861943501.db2.gz XSEWNWLWSZXSBA-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001149855396 861943511 /nfs/dbraw/zinc/94/35/11/861943511.db2.gz XSEWNWLWSZXSBA-KRWDZBQOSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001273475890 851002296 /nfs/dbraw/zinc/00/22/96/851002296.db2.gz VDXDMDNEDSPUQZ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](CCCCC#N)CC2)C1=O ZINC001274043335 851885013 /nfs/dbraw/zinc/88/50/13/851885013.db2.gz QEZGLXDIBGQHLY-SFHVURJKSA-N 2 1 320.481 1.946 20 30 DDEDMP C=CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCOCC1 ZINC001327635252 862335857 /nfs/dbraw/zinc/33/58/57/862335857.db2.gz SIECQNFUBLTAJM-JKSUJKDBSA-N 2 1 323.481 1.548 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717567 862430568 /nfs/dbraw/zinc/43/05/68/862430568.db2.gz YVMUWLUBJWGUPO-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001275829361 853831127 /nfs/dbraw/zinc/83/11/27/853831127.db2.gz XUXYZVYZIREEMB-ROUUACIJSA-N 2 1 314.433 1.005 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001276195236 854941407 /nfs/dbraw/zinc/94/14/07/854941407.db2.gz HUEUSUIRFWGYQT-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001151327462 862728691 /nfs/dbraw/zinc/72/86/91/862728691.db2.gz WOHIHTSEEXLFQU-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049597081 857036729 /nfs/dbraw/zinc/03/67/29/857036729.db2.gz ZTUSHJBKFFNVID-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1c[nH+]cc1C ZINC001049597081 857036739 /nfs/dbraw/zinc/03/67/39/857036739.db2.gz ZTUSHJBKFFNVID-CVEARBPZSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001328413910 862959598 /nfs/dbraw/zinc/95/95/98/862959598.db2.gz WTTRVODABVVKKY-ZFWWWQNUSA-N 2 1 302.422 1.262 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001224575745 881456314 /nfs/dbraw/zinc/45/63/14/881456314.db2.gz DQRJEIGJCIJPKL-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001202872602 860213754 /nfs/dbraw/zinc/21/37/54/860213754.db2.gz JAXQHZLRZRTREH-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(C)CC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202947056 860430831 /nfs/dbraw/zinc/43/08/31/860430831.db2.gz FFKYPEQFJRCJMP-UHFFFAOYSA-N 2 1 309.454 1.256 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C12CCC2 ZINC001203104049 860808377 /nfs/dbraw/zinc/80/83/77/860808377.db2.gz PYMXMUWWTJXNHE-CABCVRRESA-N 2 1 305.466 1.757 20 30 DDEDMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001329151458 863504468 /nfs/dbraw/zinc/50/44/68/863504468.db2.gz OLNWMKLLAQGMGJ-KBPBESRZSA-N 2 1 311.389 1.387 20 30 DDEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C(C)(C)C1 ZINC001330186527 864138327 /nfs/dbraw/zinc/13/83/27/864138327.db2.gz YZHXCVVCCRZZIE-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C(C)(C)C1 ZINC001330186527 864138331 /nfs/dbraw/zinc/13/83/31/864138331.db2.gz YZHXCVVCCRZZIE-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001330186527 864138335 /nfs/dbraw/zinc/13/83/35/864138335.db2.gz YZHXCVVCCRZZIE-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C(C)(C)C1 ZINC001330186527 864138338 /nfs/dbraw/zinc/13/83/38/864138338.db2.gz YZHXCVVCCRZZIE-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)CC ZINC001153868015 864180834 /nfs/dbraw/zinc/18/08/34/864180834.db2.gz KEZGFUFGXRTVQQ-ZACQAIPSSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001153868015 864180843 /nfs/dbraw/zinc/18/08/43/864180843.db2.gz KEZGFUFGXRTVQQ-ZACQAIPSSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)CC ZINC001153868015 864180848 /nfs/dbraw/zinc/18/08/48/864180848.db2.gz KEZGFUFGXRTVQQ-ZACQAIPSSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@H](C)CC ZINC001153868015 864180855 /nfs/dbraw/zinc/18/08/55/864180855.db2.gz KEZGFUFGXRTVQQ-ZACQAIPSSA-N 2 1 307.482 1.957 20 30 DDEDMP CC#CC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001331291518 864991894 /nfs/dbraw/zinc/99/18/94/864991894.db2.gz ZUHKCZNUULBHRX-INIZCTEOSA-N 2 1 319.424 1.441 20 30 DDEDMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001331358254 865030460 /nfs/dbraw/zinc/03/04/60/865030460.db2.gz BFNXWOUZOVSAKP-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP Cc1[nH+]c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])ccc1CC#N ZINC001159243480 865183600 /nfs/dbraw/zinc/18/36/00/865183600.db2.gz OPEZSIZWDUZTPR-IIAWOOMASA-N 2 1 304.394 1.593 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001331944442 865449203 /nfs/dbraw/zinc/44/92/03/865449203.db2.gz QHZHIOQKYHMWGX-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001331944442 865449209 /nfs/dbraw/zinc/44/92/09/865449209.db2.gz QHZHIOQKYHMWGX-AEFFLSMTSA-N 2 1 313.445 1.721 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001159868466 865573024 /nfs/dbraw/zinc/57/30/24/865573024.db2.gz DNMQYZIHCYZNKM-KRWDZBQOSA-N 2 1 323.481 1.692 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001160499280 865885700 /nfs/dbraw/zinc/88/57/00/865885700.db2.gz ARSZRTGFAGGKDF-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499280 865885717 /nfs/dbraw/zinc/88/57/17/865885717.db2.gz ARSZRTGFAGGKDF-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001160499280 865885730 /nfs/dbraw/zinc/88/57/30/865885730.db2.gz ARSZRTGFAGGKDF-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C=CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCOC ZINC001332914481 866249517 /nfs/dbraw/zinc/24/95/17/866249517.db2.gz TZRHUKGIIAZQRU-UHFFFAOYSA-N 2 1 309.454 1.113 20 30 DDEDMP C#CC[NH+]1CC[C@@H](C2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001323638942 866740772 /nfs/dbraw/zinc/74/07/72/866740772.db2.gz WLMAVFHEFNKVEO-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001323638942 866740783 /nfs/dbraw/zinc/74/07/83/866740783.db2.gz WLMAVFHEFNKVEO-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CCC)CC2)C1 ZINC001323638942 866740792 /nfs/dbraw/zinc/74/07/92/866740792.db2.gz WLMAVFHEFNKVEO-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161722970 866933992 /nfs/dbraw/zinc/93/39/92/866933992.db2.gz HWQNMKWQPZWIPR-UHFFFAOYSA-N 2 1 323.868 1.973 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161722970 866934006 /nfs/dbraw/zinc/93/40/06/866934006.db2.gz HWQNMKWQPZWIPR-UHFFFAOYSA-N 2 1 323.868 1.973 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001161733881 866944690 /nfs/dbraw/zinc/94/46/90/866944690.db2.gz MSCGVTVBCSLHHA-UHFFFAOYSA-N 2 1 305.466 1.880 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001321392265 867556642 /nfs/dbraw/zinc/55/66/42/867556642.db2.gz MARRCWDEZYGVQS-RCAFFNEUSA-N 2 1 312.417 1.272 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001325055756 867726643 /nfs/dbraw/zinc/72/66/43/867726643.db2.gz VFSSGZPVNVBFHO-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001325055756 867726651 /nfs/dbraw/zinc/72/66/51/867726651.db2.gz VFSSGZPVNVBFHO-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001325055756 867726661 /nfs/dbraw/zinc/72/66/61/867726661.db2.gz VFSSGZPVNVBFHO-ZIAGYGMSSA-N 2 1 315.408 1.588 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596955 869315608 /nfs/dbraw/zinc/31/56/08/869315608.db2.gz UKOOXBQHAMLDPQ-HOTGVXAUSA-N 2 1 321.465 1.302 20 30 DDEDMP C=CC[C@@H](CC)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001338607115 870071041 /nfs/dbraw/zinc/07/10/41/870071041.db2.gz CPEXPRVKFCNTQU-OIISXLGYSA-N 2 1 320.481 1.951 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001317014990 870121701 /nfs/dbraw/zinc/12/17/01/870121701.db2.gz DWNJHXVJBDOSPO-JGNQBTRVSA-N 2 1 309.841 1.321 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC001317014990 870121706 /nfs/dbraw/zinc/12/17/06/870121706.db2.gz DWNJHXVJBDOSPO-JGNQBTRVSA-N 2 1 309.841 1.321 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001166708513 870179981 /nfs/dbraw/zinc/17/99/81/870179981.db2.gz RVGXJTIRXPXPAC-SWLSCSKDSA-N 2 1 320.462 1.413 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001317062584 870187878 /nfs/dbraw/zinc/18/78/78/870187878.db2.gz HZYTXUJCQLGMIZ-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+](CCC)CCC)C1 ZINC001226430509 882427492 /nfs/dbraw/zinc/42/74/92/882427492.db2.gz UOGRXEVWAPMNGE-KRWDZBQOSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+](CCC)CCC)C1 ZINC001226430509 882427495 /nfs/dbraw/zinc/42/74/95/882427495.db2.gz UOGRXEVWAPMNGE-KRWDZBQOSA-N 2 1 322.497 1.895 20 30 DDEDMP C=C(C)CC[NH+]1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001318037124 871704785 /nfs/dbraw/zinc/70/47/85/871704785.db2.gz CHOQVZLPUNHGBG-UHFFFAOYSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC001341717705 871789371 /nfs/dbraw/zinc/78/93/71/871789371.db2.gz VGQOLAUZQXHLBC-CZUORRHYSA-N 2 1 305.447 1.470 20 30 DDEDMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001318569668 872152452 /nfs/dbraw/zinc/15/24/52/872152452.db2.gz IRRWVFDBFMDVAO-WMLDXEAASA-N 2 1 311.445 1.707 20 30 DDEDMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001318816445 872286242 /nfs/dbraw/zinc/28/62/42/872286242.db2.gz LAEFVFAYDDBMQO-MRXNPFEDSA-N 2 1 304.438 1.986 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784557 873559109 /nfs/dbraw/zinc/55/91/09/873559109.db2.gz NXCJWTJFYXJIJP-NVXWUHKLSA-N 2 1 314.433 1.368 20 30 DDEDMP C#CCCC[NH+]1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001209263699 874763741 /nfs/dbraw/zinc/76/37/41/874763741.db2.gz POUVDMSQJKLREA-UHFFFAOYSA-N 2 1 316.449 1.703 20 30 DDEDMP C#CCCC[NH+]1CCCn2c(=O)cc(C[N@H+](C)C(C)C)nc2C1 ZINC001209263699 874763746 /nfs/dbraw/zinc/76/37/46/874763746.db2.gz POUVDMSQJKLREA-UHFFFAOYSA-N 2 1 316.449 1.703 20 30 DDEDMP C#CCCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001209263699 874763754 /nfs/dbraw/zinc/76/37/54/874763754.db2.gz POUVDMSQJKLREA-UHFFFAOYSA-N 2 1 316.449 1.703 20 30 DDEDMP C#CCCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C(C)C)nc2C1 ZINC001209263699 874763760 /nfs/dbraw/zinc/76/37/60/874763760.db2.gz POUVDMSQJKLREA-UHFFFAOYSA-N 2 1 316.449 1.703 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209489101 874917466 /nfs/dbraw/zinc/91/74/66/874917466.db2.gz WQABBDCWIKATOL-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001209489101 874917480 /nfs/dbraw/zinc/91/74/80/874917480.db2.gz WQABBDCWIKATOL-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccc(C#N)s1 ZINC001379194447 876600398 /nfs/dbraw/zinc/60/03/98/876600398.db2.gz FCUIHNHRBQXWPF-SWLSCSKDSA-N 2 1 320.462 1.650 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393138 876696329 /nfs/dbraw/zinc/69/63/29/876696329.db2.gz PBGPTHBULCJBHV-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001215393138 876696332 /nfs/dbraw/zinc/69/63/32/876696332.db2.gz PBGPTHBULCJBHV-ZACQAIPSSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C1 ZINC001218109950 877399039 /nfs/dbraw/zinc/39/90/39/877399039.db2.gz WGOUSPVVZMUWFJ-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109950 877399057 /nfs/dbraw/zinc/39/90/57/877399057.db2.gz WGOUSPVVZMUWFJ-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+](C)C3CCC3)[C@H]2C1 ZINC001218109950 877399074 /nfs/dbraw/zinc/39/90/74/877399074.db2.gz WGOUSPVVZMUWFJ-DLBZAZTESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CC1 ZINC001357269079 879884026 /nfs/dbraw/zinc/88/40/26/879884026.db2.gz OTXODSIUDFVMJQ-VNQPRFMTSA-N 2 1 306.454 1.276 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001221647413 879990413 /nfs/dbraw/zinc/99/04/13/879990413.db2.gz ZDMKXWDDUUVLQR-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647413 879990420 /nfs/dbraw/zinc/99/04/20/879990420.db2.gz ZDMKXWDDUUVLQR-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001221647413 879990432 /nfs/dbraw/zinc/99/04/32/879990432.db2.gz ZDMKXWDDUUVLQR-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP Cn1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c2cc(C#N)ccc21 ZINC001222104241 880256903 /nfs/dbraw/zinc/25/69/03/880256903.db2.gz BYHXXDMSSNQOEP-UHFFFAOYSA-N 2 1 323.444 1.577 20 30 DDEDMP C=CCOCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001276879008 880912019 /nfs/dbraw/zinc/91/20/19/880912019.db2.gz VOPXBDPVVJZBJG-INIZCTEOSA-N 2 1 323.481 1.454 20 30 DDEDMP COCC#CC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001227877302 883211585 /nfs/dbraw/zinc/21/15/85/883211585.db2.gz QJMBSRXCZYMBEX-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001227986210 883268896 /nfs/dbraw/zinc/26/88/96/883268896.db2.gz AHGYLVXUDJUBPE-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC#CCOC)CC1 ZINC001230360170 884446759 /nfs/dbraw/zinc/44/67/59/884446759.db2.gz SPLFLSCEZPGUPX-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001234413129 887945822 /nfs/dbraw/zinc/94/58/22/887945822.db2.gz GWPAONSOCUKBKT-IXDOHACOSA-N 2 1 323.481 1.452 20 30 DDEDMP N#CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CC3CC[NH+]1CC3)C2 ZINC001277942002 888606017 /nfs/dbraw/zinc/60/60/17/888606017.db2.gz YSBJTXXXIBGJJL-INIZCTEOSA-N 2 1 316.449 1.309 20 30 DDEDMP CC1(C#N)CCC([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC001364593189 888995721 /nfs/dbraw/zinc/99/57/21/888995721.db2.gz COBORRYOCAOVDE-ADKAHSJRSA-N 2 1 320.481 1.455 20 30 DDEDMP C#CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CC[NH+](C(C)C)CC1 ZINC001278200949 890127472 /nfs/dbraw/zinc/12/74/72/890127472.db2.gz ZCFDEGHPBVGZKK-QGZVFWFLSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC[NH+](C(C)C)CC1 ZINC001278200949 890127481 /nfs/dbraw/zinc/12/74/81/890127481.db2.gz ZCFDEGHPBVGZKK-QGZVFWFLSA-N 2 1 321.465 1.042 20 30 DDEDMP N#C[C@@H]1C[C@@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CCN1 ZINC001246859860 892948766 /nfs/dbraw/zinc/94/87/66/892948766.db2.gz KWNKNQPOAVBQBL-IRXDYDNUSA-N 2 1 310.445 1.768 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001366304495 893101308 /nfs/dbraw/zinc/10/13/08/893101308.db2.gz YRDQLGYHULXCAF-RYUDHWBXSA-N 2 1 318.259 1.474 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(C#N)cc1 ZINC001366584876 894147503 /nfs/dbraw/zinc/14/75/03/894147503.db2.gz UPDYRVZFTONFNF-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001366584876 894147511 /nfs/dbraw/zinc/14/75/11/894147511.db2.gz UPDYRVZFTONFNF-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001366584876 894147519 /nfs/dbraw/zinc/14/75/19/894147519.db2.gz UPDYRVZFTONFNF-UHFFFAOYSA-N 2 1 302.422 1.448 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001367289457 896358580 /nfs/dbraw/zinc/35/85/80/896358580.db2.gz PMHJFZGLCOOMMI-TZMCWYRMSA-N 2 1 301.862 1.955 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278791127 896482269 /nfs/dbraw/zinc/48/22/69/896482269.db2.gz NRKOJODYKDMPDD-KRWDZBQOSA-N 2 1 321.465 1.134 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CCN([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254528902 896484439 /nfs/dbraw/zinc/48/44/39/896484439.db2.gz ALDBERIOHCXBHD-IBGZPJMESA-N 2 1 320.525 1.762 20 30 DDEDMP C=CC[NH+](CC=C)CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001255494464 896972174 /nfs/dbraw/zinc/97/21/74/896972174.db2.gz GYALVLJVQYCSEE-GOSISDBHSA-N 2 1 306.498 1.372 20 30 DDEDMP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)CC[NH+](C)C ZINC001367836255 897965531 /nfs/dbraw/zinc/96/55/31/897965531.db2.gz QNXMYSXDRYFGKB-AWEZNQCLSA-N 2 1 302.422 1.446 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001390696011 899961158 /nfs/dbraw/zinc/96/11/58/899961158.db2.gz UHNPLPPOYOLITO-GXTWGEPZSA-N 2 1 324.856 1.991 20 30 DDEDMP C=C(Br)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001374962797 914465252 /nfs/dbraw/zinc/46/52/52/914465252.db2.gz LKIMTWAUNLXHDO-NSHDSACASA-N 2 1 306.248 1.331 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265319648 901881945 /nfs/dbraw/zinc/88/19/45/901881945.db2.gz OZIPJGPWWUTKCX-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001265319648 901881956 /nfs/dbraw/zinc/88/19/56/901881956.db2.gz OZIPJGPWWUTKCX-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001279163361 903188958 /nfs/dbraw/zinc/18/89/58/903188958.db2.gz ZABVSBSMYODDGB-HOCLYGCPSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CCOCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001279280182 903209592 /nfs/dbraw/zinc/20/95/92/903209592.db2.gz FOZWHJHYBJONNY-JUVOFCAFSA-N 2 1 323.481 1.498 20 30 DDEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001279519530 903295924 /nfs/dbraw/zinc/29/59/24/903295924.db2.gz GQUXNFURNJHWDD-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001279519530 903295938 /nfs/dbraw/zinc/29/59/38/903295938.db2.gz GQUXNFURNJHWDD-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001279519530 903295950 /nfs/dbraw/zinc/29/59/50/903295950.db2.gz GQUXNFURNJHWDD-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001279519530 903295964 /nfs/dbraw/zinc/29/59/64/903295964.db2.gz GQUXNFURNJHWDD-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001279624121 903362004 /nfs/dbraw/zinc/36/20/04/903362004.db2.gz AWWQITLUCVAGKH-JKSUJKDBSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001280357019 903604200 /nfs/dbraw/zinc/60/42/00/903604200.db2.gz RRPXZZGNDXJDMP-YJBOKZPZSA-N 2 1 313.445 1.928 20 30 DDEDMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001282193586 905607296 /nfs/dbraw/zinc/60/72/96/905607296.db2.gz REFWEWJNDAAPKI-IRXDYDNUSA-N 2 1 315.461 1.667 20 30 DDEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001283077792 906584661 /nfs/dbraw/zinc/58/46/61/906584661.db2.gz HYWULPSXQLMYQZ-BRWVUGGUSA-N 2 1 305.466 1.757 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccns1 ZINC001283616724 907684843 /nfs/dbraw/zinc/68/48/43/907684843.db2.gz AVKNJNHWSLANEY-ZFWWWQNUSA-N 2 1 320.462 1.177 20 30 DDEDMP C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001372701970 908013227 /nfs/dbraw/zinc/01/32/27/908013227.db2.gz ADRDUYYVGNURSN-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001372701970 908013245 /nfs/dbraw/zinc/01/32/45/908013245.db2.gz ADRDUYYVGNURSN-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001372701970 908013255 /nfs/dbraw/zinc/01/32/55/908013255.db2.gz ADRDUYYVGNURSN-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C=C(Cl)C[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001372701970 908013274 /nfs/dbraw/zinc/01/32/74/908013274.db2.gz ADRDUYYVGNURSN-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001284228595 908691507 /nfs/dbraw/zinc/69/15/07/908691507.db2.gz VXFUFIZWLXLETI-DLBZAZTESA-N 2 1 316.449 1.870 20 30 DDEDMP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593916354 356058863 /nfs/dbraw/zinc/05/88/63/356058863.db2.gz IWMUIHYRYLZFLO-IRXDYDNUSA-N 2 1 314.433 1.393 20 30 DDEDMP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593916354 356058868 /nfs/dbraw/zinc/05/88/68/356058868.db2.gz IWMUIHYRYLZFLO-IRXDYDNUSA-N 2 1 314.433 1.393 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602479081 359006031 /nfs/dbraw/zinc/00/60/31/359006031.db2.gz DLPDHIIXXYEIGS-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602479081 359006036 /nfs/dbraw/zinc/00/60/36/359006036.db2.gz DLPDHIIXXYEIGS-KRWDZBQOSA-N 2 1 302.422 1.886 20 30 DDEDMP CC(C)(CCC#N)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000093047274 334990634 /nfs/dbraw/zinc/99/06/34/334990634.db2.gz QTARGBQRFVYUCL-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000275197595 212188861 /nfs/dbraw/zinc/18/88/61/212188861.db2.gz FKQQOCOSMBWNDV-UHFFFAOYSA-N 2 1 300.406 1.154 20 30 DDEDMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc(C#N)c1 ZINC000275197595 212188864 /nfs/dbraw/zinc/18/88/64/212188864.db2.gz FKQQOCOSMBWNDV-UHFFFAOYSA-N 2 1 300.406 1.154 20 30 DDEDMP C[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000104170631 407348653 /nfs/dbraw/zinc/34/86/53/407348653.db2.gz ZVJJJCXQARNIOW-INIZCTEOSA-N 2 1 317.481 1.676 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000170913341 407556403 /nfs/dbraw/zinc/55/64/03/407556403.db2.gz WALISXXUXFICTK-CQSZACIVSA-N 2 1 304.438 1.974 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000187012285 407811857 /nfs/dbraw/zinc/81/18/57/407811857.db2.gz ZHPGEJDQRCORGO-OWCLPIDISA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000187012285 407811860 /nfs/dbraw/zinc/81/18/60/407811860.db2.gz ZHPGEJDQRCORGO-OWCLPIDISA-N 2 1 311.470 1.404 20 30 DDEDMP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000155829792 408214068 /nfs/dbraw/zinc/21/40/68/408214068.db2.gz HYSUGBFIJVXOAO-UHFFFAOYSA-N 2 1 305.466 1.853 20 30 DDEDMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1C#N ZINC000282190516 409008183 /nfs/dbraw/zinc/00/81/83/409008183.db2.gz BYTPUABKCAKGCF-UHFFFAOYSA-N 2 1 316.449 1.682 20 30 DDEDMP C#CC[N@H+](C)CCCN[C@@H](C)c1ccccc1OCC(=O)OC ZINC000295078920 409314891 /nfs/dbraw/zinc/31/48/91/409314891.db2.gz SXFRVQYVIQXOOP-HNNXBMFYSA-N 2 1 318.417 1.844 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000303890916 409554420 /nfs/dbraw/zinc/55/44/20/409554420.db2.gz QHNKIWFEKIDTGT-NVXWUHKLSA-N 2 1 318.465 1.490 20 30 DDEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)C12CCC2 ZINC000304790429 409645216 /nfs/dbraw/zinc/64/52/16/409645216.db2.gz KIOQXNRNXYWYON-RRFJBIMHSA-N 2 1 308.470 1.723 20 30 DDEDMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247076107 222227330 /nfs/dbraw/zinc/22/73/30/222227330.db2.gz GSZWEVUQYMOCDQ-HUUCEWRRSA-N 2 1 317.437 1.843 20 30 DDEDMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000247076107 222227333 /nfs/dbraw/zinc/22/73/33/222227333.db2.gz GSZWEVUQYMOCDQ-HUUCEWRRSA-N 2 1 317.437 1.843 20 30 DDEDMP CC[NH+]=C(NCC1CCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261711008 222254896 /nfs/dbraw/zinc/25/48/96/222254896.db2.gz KAPZKGFLITVQHS-MRXNPFEDSA-N 2 1 308.470 1.406 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2C)cc1OC ZINC000264128227 222322339 /nfs/dbraw/zinc/32/23/39/222322339.db2.gz WYZNUPGZSMVLOH-CYBMUJFWSA-N 2 1 306.410 1.202 20 30 DDEDMP C#CCNC(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)=[NH+]C ZINC000262604454 222286516 /nfs/dbraw/zinc/28/65/16/222286516.db2.gz FNHSKVGCGNEKEQ-CQSZACIVSA-N 2 1 304.463 1.758 20 30 DDEDMP C[N@@H+]1CC=C(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000263183836 222305040 /nfs/dbraw/zinc/30/50/40/222305040.db2.gz WIGVHQLREPKQHB-UHFFFAOYSA-N 2 1 316.405 1.836 20 30 DDEDMP COc1c[nH+]ccc1N1CC[NH+](CCCSCC#N)CC1 ZINC000361529267 418671211 /nfs/dbraw/zinc/67/12/11/418671211.db2.gz DEHCUULDKNVOFY-UHFFFAOYSA-N 2 1 306.435 1.859 20 30 DDEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975207 419397734 /nfs/dbraw/zinc/39/77/34/419397734.db2.gz FKSKAPIZJTZZRN-INIZCTEOSA-N 2 1 322.497 1.169 20 30 DDEDMP C#CCNC(=O)CC[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000491383266 421197550 /nfs/dbraw/zinc/19/75/50/421197550.db2.gz LHMOFUZORFHRJR-MRXNPFEDSA-N 2 1 301.434 1.626 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000491701242 421201549 /nfs/dbraw/zinc/20/15/49/421201549.db2.gz WHLSGWKRWAYHQZ-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000573913630 422034078 /nfs/dbraw/zinc/03/40/78/422034078.db2.gz BXTNEWQCDMDTMQ-KRWDZBQOSA-N 2 1 317.433 1.566 20 30 DDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000575985797 422352072 /nfs/dbraw/zinc/35/20/72/422352072.db2.gz OPDTVUNWRMQEQC-CVEARBPZSA-N 2 1 317.437 1.052 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000664016310 424341649 /nfs/dbraw/zinc/34/16/49/424341649.db2.gz NOSWLDOKCCITGA-MRXNPFEDSA-N 2 1 308.470 1.763 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000491428987 526815339 /nfs/dbraw/zinc/81/53/39/526815339.db2.gz RQPPNUWYNPYDIO-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974577465 695688959 /nfs/dbraw/zinc/68/89/59/695688959.db2.gz NRQBEHXJFLUNSX-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974577465 695688961 /nfs/dbraw/zinc/68/89/61/695688961.db2.gz NRQBEHXJFLUNSX-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974577465 695688962 /nfs/dbraw/zinc/68/89/62/695688962.db2.gz NRQBEHXJFLUNSX-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974655785 695704983 /nfs/dbraw/zinc/70/49/83/695704983.db2.gz YPADTVYQOTVYFZ-DLBZAZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655785 695704984 /nfs/dbraw/zinc/70/49/84/695704984.db2.gz YPADTVYQOTVYFZ-DLBZAZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655785 695704985 /nfs/dbraw/zinc/70/49/85/695704985.db2.gz YPADTVYQOTVYFZ-DLBZAZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C(C)(C)C1 ZINC000974759790 695728455 /nfs/dbraw/zinc/72/84/55/695728455.db2.gz OYMIYVXTIPMDOT-CVEARBPZSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974759790 695728457 /nfs/dbraw/zinc/72/84/57/695728457.db2.gz OYMIYVXTIPMDOT-CVEARBPZSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974759790 695728459 /nfs/dbraw/zinc/72/84/59/695728459.db2.gz OYMIYVXTIPMDOT-CVEARBPZSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974759790 695728460 /nfs/dbraw/zinc/72/84/60/695728460.db2.gz OYMIYVXTIPMDOT-CVEARBPZSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C(C)(C)C1 ZINC000974761251 695729116 /nfs/dbraw/zinc/72/91/16/695729116.db2.gz UIJZAMOORBWLST-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761251 695729117 /nfs/dbraw/zinc/72/91/17/695729117.db2.gz UIJZAMOORBWLST-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000974761251 695729118 /nfs/dbraw/zinc/72/91/18/695729118.db2.gz UIJZAMOORBWLST-DLBZAZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112222 695797113 /nfs/dbraw/zinc/79/71/13/695797113.db2.gz RFPGDYCVHYDCLI-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112222 695797115 /nfs/dbraw/zinc/79/71/15/695797115.db2.gz RFPGDYCVHYDCLI-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC000982099637 697029899 /nfs/dbraw/zinc/02/98/99/697029899.db2.gz GIEZOTMEFXEYSP-UHFFFAOYSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245226 697071857 /nfs/dbraw/zinc/07/18/57/697071857.db2.gz FZQQKLLVAKYYLQ-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C[C@@]2(C)C1 ZINC000982245226 697071858 /nfs/dbraw/zinc/07/18/58/697071858.db2.gz FZQQKLLVAKYYLQ-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245226 697071860 /nfs/dbraw/zinc/07/18/60/697071860.db2.gz FZQQKLLVAKYYLQ-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+](C)CCO3)C[C@@]2(C)C1 ZINC000982245226 697071862 /nfs/dbraw/zinc/07/18/62/697071862.db2.gz FZQQKLLVAKYYLQ-NXHRZFHOSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@]2(C)C1 ZINC000982292755 697085624 /nfs/dbraw/zinc/08/56/24/697085624.db2.gz WHTLIPRNGJPKOA-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292755 697085626 /nfs/dbraw/zinc/08/56/26/697085626.db2.gz WHTLIPRNGJPKOA-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC000982292755 697085628 /nfs/dbraw/zinc/08/56/28/697085628.db2.gz WHTLIPRNGJPKOA-QRQLOZEOSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000981438594 697097822 /nfs/dbraw/zinc/09/78/22/697097822.db2.gz ZOKIEWSKGBNENM-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000981438594 697097825 /nfs/dbraw/zinc/09/78/25/697097825.db2.gz ZOKIEWSKGBNENM-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000981438594 697097828 /nfs/dbraw/zinc/09/78/28/697097828.db2.gz ZOKIEWSKGBNENM-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000981438594 697097830 /nfs/dbraw/zinc/09/78/30/697097830.db2.gz ZOKIEWSKGBNENM-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000981490736 697110996 /nfs/dbraw/zinc/11/09/96/697110996.db2.gz NCMSBPBGQZDKFO-HNNXBMFYSA-N 2 1 316.449 1.933 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC000981490736 697110997 /nfs/dbraw/zinc/11/09/97/697110997.db2.gz NCMSBPBGQZDKFO-HNNXBMFYSA-N 2 1 316.449 1.933 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N1CCCCCC1 ZINC000170913418 697352052 /nfs/dbraw/zinc/35/20/52/697352052.db2.gz QFALCBLKRUFZSP-OAHLLOKOSA-N 2 1 323.485 1.168 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1C ZINC000986571418 697841253 /nfs/dbraw/zinc/84/12/53/697841253.db2.gz WDULWCZOEGVRFQ-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000246803933 698355626 /nfs/dbraw/zinc/35/56/26/698355626.db2.gz TXYGRFQLSNKMOA-DLBZAZTESA-N 2 1 316.449 1.734 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989452268 698627544 /nfs/dbraw/zinc/62/75/44/698627544.db2.gz XSNIQQRFYMPJRT-KBPBESRZSA-N 2 1 318.421 1.649 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990685100 699131668 /nfs/dbraw/zinc/13/16/68/699131668.db2.gz MHMVOOKNYICQIS-JENIJYKNSA-N 2 1 315.461 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990691257 699133941 /nfs/dbraw/zinc/13/39/41/699133941.db2.gz UQZLOUVEJFEIHH-ZHALLVOQSA-N 2 1 315.461 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792862 699160651 /nfs/dbraw/zinc/16/06/51/699160651.db2.gz WCRDLSCKQQWXSA-KONPQCLYSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792862 699160652 /nfs/dbraw/zinc/16/06/52/699160652.db2.gz WCRDLSCKQQWXSA-KONPQCLYSA-N 2 1 303.450 1.463 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990792862 699160653 /nfs/dbraw/zinc/16/06/53/699160653.db2.gz WCRDLSCKQQWXSA-KONPQCLYSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000788430647 699313368 /nfs/dbraw/zinc/31/33/68/699313368.db2.gz AXEWALPHJLBQIQ-UHFFFAOYSA-N 2 1 302.418 1.635 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000737959955 699748709 /nfs/dbraw/zinc/74/87/09/699748709.db2.gz UKNNUUCYROXBTG-KRWDZBQOSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000737959955 699748710 /nfs/dbraw/zinc/74/87/10/699748710.db2.gz UKNNUUCYROXBTG-KRWDZBQOSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000737959955 699748711 /nfs/dbraw/zinc/74/87/11/699748711.db2.gz UKNNUUCYROXBTG-KRWDZBQOSA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000737959955 699748712 /nfs/dbraw/zinc/74/87/12/699748712.db2.gz UKNNUUCYROXBTG-KRWDZBQOSA-N 2 1 303.450 1.561 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000867959143 701854599 /nfs/dbraw/zinc/85/45/99/701854599.db2.gz PNWDWZDHAAFGFW-JZXOWHBKSA-N 2 1 324.428 1.488 20 30 DDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000845592558 703179281 /nfs/dbraw/zinc/17/92/81/703179281.db2.gz NODAOOCKLLULIC-OAHLLOKOSA-N 2 1 314.433 1.358 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)NCC[N@H+]1CCc2ccccc2C1 ZINC000852859084 704150703 /nfs/dbraw/zinc/15/07/03/704150703.db2.gz OGUDAQZYENPHGO-UHFFFAOYSA-N 2 1 311.429 1.164 20 30 DDEDMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852861531 704151535 /nfs/dbraw/zinc/15/15/35/704151535.db2.gz FGZFCSKZRRXAHT-UHFFFAOYSA-N 2 1 323.400 1.195 20 30 DDEDMP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)C2(CCCCC2)C1 ZINC000852873052 704156447 /nfs/dbraw/zinc/15/64/47/704156447.db2.gz VIXAJRWAQCWFIJ-UHFFFAOYSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000876764567 705865236 /nfs/dbraw/zinc/86/52/36/705865236.db2.gz PCPPENXJVOGWEN-IHRRRGAJSA-N 2 1 315.845 1.216 20 30 DDEDMP C#CCCCCCC[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000877031220 705966105 /nfs/dbraw/zinc/96/61/05/705966105.db2.gz OVDGIUYVKJXSQH-GOSISDBHSA-N 2 1 307.482 1.566 20 30 DDEDMP C#CCSCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872204111 707326340 /nfs/dbraw/zinc/32/63/40/707326340.db2.gz IISQHQHKYDLCRD-KRWDZBQOSA-N 2 1 304.459 1.579 20 30 DDEDMP C#CCSCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872204111 707326345 /nfs/dbraw/zinc/32/63/45/707326345.db2.gz IISQHQHKYDLCRD-KRWDZBQOSA-N 2 1 304.459 1.579 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000884199245 708184825 /nfs/dbraw/zinc/18/48/25/708184825.db2.gz UDHMXXOWCGVWFK-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000884199245 708184828 /nfs/dbraw/zinc/18/48/28/708184828.db2.gz UDHMXXOWCGVWFK-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000892851085 710512627 /nfs/dbraw/zinc/51/26/27/710512627.db2.gz BKDUASUHANIJOB-INIZCTEOSA-N 2 1 308.470 1.763 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000913522241 713244919 /nfs/dbraw/zinc/24/49/19/713244919.db2.gz BAHXPQCCHNNMKX-UHFFFAOYSA-N 2 1 324.428 1.451 20 30 DDEDMP C[NH+](C)CC#CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000913522241 713244921 /nfs/dbraw/zinc/24/49/21/713244921.db2.gz BAHXPQCCHNNMKX-UHFFFAOYSA-N 2 1 324.428 1.451 20 30 DDEDMP C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000905461278 712043816 /nfs/dbraw/zinc/04/38/16/712043816.db2.gz PNTYFEIOVZFFBI-RTBURBONSA-N 2 1 315.461 1.167 20 30 DDEDMP C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000905461278 712043820 /nfs/dbraw/zinc/04/38/20/712043820.db2.gz PNTYFEIOVZFFBI-RTBURBONSA-N 2 1 315.461 1.167 20 30 DDEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccsc1C#N ZINC000906677042 712386825 /nfs/dbraw/zinc/38/68/25/712386825.db2.gz IORLYYAWWMWUHF-UHFFFAOYSA-N 2 1 320.462 1.718 20 30 DDEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccsc1C#N ZINC000906677042 712386827 /nfs/dbraw/zinc/38/68/27/712386827.db2.gz IORLYYAWWMWUHF-UHFFFAOYSA-N 2 1 320.462 1.718 20 30 DDEDMP C#CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000914077094 713339504 /nfs/dbraw/zinc/33/95/04/713339504.db2.gz WNZQHURZJMQFPZ-INIZCTEOSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CCN(C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC[NH+](C)CC1 ZINC000921384310 713751565 /nfs/dbraw/zinc/75/15/65/713751565.db2.gz MNGNBIBKIZZASA-LSDHHAIUSA-N 2 1 318.465 1.351 20 30 DDEDMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)o1)C2 ZINC000922387917 714036549 /nfs/dbraw/zinc/03/65/49/714036549.db2.gz MOKZIKQWXDFUMS-QBPKDAKJSA-N 2 1 303.406 1.721 20 30 DDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000923281209 714296490 /nfs/dbraw/zinc/29/64/90/714296490.db2.gz LKWRLCOLODBTJN-QGZVFWFLSA-N 2 1 315.417 1.514 20 30 DDEDMP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925635638 714904900 /nfs/dbraw/zinc/90/49/00/714904900.db2.gz SZWHMCRCDIBXRR-CABCVRRESA-N 2 1 300.468 1.345 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](NC(C)=O)c1ccccc1F ZINC000926490626 715076061 /nfs/dbraw/zinc/07/60/61/715076061.db2.gz PNOYNPQMLWQTMQ-KSSFIOAISA-N 2 1 319.424 1.936 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](NC(C)=O)c1ccccc1F ZINC000926490626 715076064 /nfs/dbraw/zinc/07/60/64/715076064.db2.gz PNOYNPQMLWQTMQ-KSSFIOAISA-N 2 1 319.424 1.936 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000959965766 716372688 /nfs/dbraw/zinc/37/26/88/716372688.db2.gz KQENOPJXCBCDOC-VQJWOFKYSA-N 2 1 311.857 1.516 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000959965766 716372693 /nfs/dbraw/zinc/37/26/93/716372693.db2.gz KQENOPJXCBCDOC-VQJWOFKYSA-N 2 1 311.857 1.516 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959965766 716372698 /nfs/dbraw/zinc/37/26/98/716372698.db2.gz KQENOPJXCBCDOC-VQJWOFKYSA-N 2 1 311.857 1.516 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000959965766 716372702 /nfs/dbraw/zinc/37/27/02/716372702.db2.gz KQENOPJXCBCDOC-VQJWOFKYSA-N 2 1 311.857 1.516 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC=C ZINC000960277252 716477847 /nfs/dbraw/zinc/47/78/47/716477847.db2.gz BQNVFUAMVOETLM-CEXWTWQISA-N 2 1 323.440 1.642 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC=C ZINC000960277252 716477848 /nfs/dbraw/zinc/47/78/48/716477848.db2.gz BQNVFUAMVOETLM-CEXWTWQISA-N 2 1 323.440 1.642 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000960304513 716486402 /nfs/dbraw/zinc/48/64/02/716486402.db2.gz PKZGIBSZHLMFCL-LSBZLQRGSA-N 2 1 313.445 1.886 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3cncn3C)C2)C1 ZINC000961267337 716888131 /nfs/dbraw/zinc/88/81/31/716888131.db2.gz HKYGTKNBLNCYAP-HZPDHXFCSA-N 2 1 314.433 1.156 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000940798274 716965177 /nfs/dbraw/zinc/96/51/77/716965177.db2.gz FLCHZJIQOYDTCW-SJORKVTESA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205487 717547279 /nfs/dbraw/zinc/54/72/79/717547279.db2.gz UDFHRSMIEZFDCI-DYVFJYSZSA-N 2 1 310.401 1.716 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942558175 717744479 /nfs/dbraw/zinc/74/44/79/717744479.db2.gz SLUFRPYUXDGHNT-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1 ZINC000946642357 718863423 /nfs/dbraw/zinc/86/34/23/718863423.db2.gz GBPNLZABRVQRCU-IXDOHACOSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC000947438525 719163614 /nfs/dbraw/zinc/16/36/14/719163614.db2.gz XDYFPLHOPJLPQB-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941085 719313805 /nfs/dbraw/zinc/31/38/05/719313805.db2.gz XHJJTBNEDLAPCN-KGLIPLIRSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000947941085 719313807 /nfs/dbraw/zinc/31/38/07/719313807.db2.gz XHJJTBNEDLAPCN-KGLIPLIRSA-N 2 1 302.422 1.916 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCF)[C@H](C)C2)CC1 ZINC000948069284 719349024 /nfs/dbraw/zinc/34/90/24/719349024.db2.gz FJAVTQHYTOJUEU-ZBFHGGJFSA-N 2 1 309.429 1.270 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCF)[C@H](C)C2)CC1 ZINC000948069330 719349151 /nfs/dbraw/zinc/34/91/51/719349151.db2.gz FZXHMDGGRVSSCW-NVXWUHKLSA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000948717254 719666841 /nfs/dbraw/zinc/66/68/41/719666841.db2.gz PRFZMUAWFZSOFY-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717254 719666843 /nfs/dbraw/zinc/66/68/43/719666843.db2.gz PRFZMUAWFZSOFY-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC000948717254 719666845 /nfs/dbraw/zinc/66/68/45/719666845.db2.gz PRFZMUAWFZSOFY-ULQDDVLXSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)CC[C@@H]2C)CC1 ZINC000968680486 719733011 /nfs/dbraw/zinc/73/30/11/719733011.db2.gz AATXAEMYKKSZDU-DOTOQJQBSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCC=C)CC[C@H]2C)CC1 ZINC000968680534 719733113 /nfs/dbraw/zinc/73/31/13/719733113.db2.gz AZZGUJUKJOSDSJ-AEFFLSMTSA-N 2 1 317.477 1.734 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000968795858 719791046 /nfs/dbraw/zinc/79/10/46/719791046.db2.gz AUDDYLIZBBDICD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000968795858 719791048 /nfs/dbraw/zinc/79/10/48/719791048.db2.gz AUDDYLIZBBDICD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968795858 719791049 /nfs/dbraw/zinc/79/10/49/719791049.db2.gz AUDDYLIZBBDICD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC000968795858 719791051 /nfs/dbraw/zinc/79/10/51/719791051.db2.gz AUDDYLIZBBDICD-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000968858691 719827826 /nfs/dbraw/zinc/82/78/26/719827826.db2.gz ITRLIDQXJMOEBD-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC000949051464 719873682 /nfs/dbraw/zinc/87/36/82/719873682.db2.gz ITGQLWVZUPDXGF-MRXNPFEDSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC000949244712 719971881 /nfs/dbraw/zinc/97/18/81/719971881.db2.gz VYJKGURSIDBZBN-UHFFFAOYSA-N 2 1 318.421 1.071 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000969153993 719979597 /nfs/dbraw/zinc/97/95/97/719979597.db2.gz URLDDUABKYFWKR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000969153993 719979599 /nfs/dbraw/zinc/97/95/99/719979599.db2.gz URLDDUABKYFWKR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153993 719979603 /nfs/dbraw/zinc/97/96/03/719979603.db2.gz URLDDUABKYFWKR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000969153993 719979607 /nfs/dbraw/zinc/97/96/07/719979607.db2.gz URLDDUABKYFWKR-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC=C)CC1 ZINC000969156185 719980957 /nfs/dbraw/zinc/98/09/57/719980957.db2.gz LUPHLTKPKGIQRY-SFHVURJKSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000969737151 720271967 /nfs/dbraw/zinc/27/19/67/720271967.db2.gz JZVJGSMAEBRPTC-ZIAGYGMSSA-N 2 1 322.840 1.697 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000970352547 720725469 /nfs/dbraw/zinc/72/54/69/720725469.db2.gz FJMDJCGWDPRQGN-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC#CC)C2)CC1 ZINC001023761990 735450007 /nfs/dbraw/zinc/45/00/07/735450007.db2.gz OLQBNZLUNABQJM-QGZVFWFLSA-N 2 1 315.461 1.183 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001167235926 732851177 /nfs/dbraw/zinc/85/11/77/732851177.db2.gz DGWZICXMTDTTCP-HNNXBMFYSA-N 2 1 314.433 1.263 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001021664117 733416885 /nfs/dbraw/zinc/41/68/85/733416885.db2.gz FSWJWSRSULTHRS-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001021700041 733462571 /nfs/dbraw/zinc/46/25/71/733462571.db2.gz MQINZVAFFHOJAB-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737522 733498146 /nfs/dbraw/zinc/49/81/46/733498146.db2.gz VDXPZOUXSGQISM-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001167437519 733501007 /nfs/dbraw/zinc/50/10/07/733501007.db2.gz ATRLEGHLJROOFK-JKSUJKDBSA-N 2 1 303.450 1.513 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929318 738824224 /nfs/dbraw/zinc/82/42/24/738824224.db2.gz DMRANRFXGKFODK-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001027929318 738824233 /nfs/dbraw/zinc/82/42/33/738824233.db2.gz DMRANRFXGKFODK-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929318 738824240 /nfs/dbraw/zinc/82/42/40/738824240.db2.gz DMRANRFXGKFODK-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027929318 738824247 /nfs/dbraw/zinc/82/42/47/738824247.db2.gz DMRANRFXGKFODK-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422488 734783692 /nfs/dbraw/zinc/78/36/92/734783692.db2.gz VITWTJHZFUQPHH-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023411286 735217345 /nfs/dbraw/zinc/21/73/45/735217345.db2.gz BULJYSQPKTZEAB-HZPDHXFCSA-N 2 1 314.433 1.612 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001023411286 735217349 /nfs/dbraw/zinc/21/73/49/735217349.db2.gz BULJYSQPKTZEAB-HZPDHXFCSA-N 2 1 314.433 1.612 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001023427946 735226446 /nfs/dbraw/zinc/22/64/46/735226446.db2.gz XFEOHGPEWLFZIJ-RRFJBIMHSA-N 2 1 300.406 1.365 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001023427946 735226449 /nfs/dbraw/zinc/22/64/49/735226449.db2.gz XFEOHGPEWLFZIJ-RRFJBIMHSA-N 2 1 300.406 1.365 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023451813 735247569 /nfs/dbraw/zinc/24/75/69/735247569.db2.gz MPFCMULFTXCYNH-HZPDHXFCSA-N 2 1 314.433 1.297 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024377014 735794395 /nfs/dbraw/zinc/79/43/95/735794395.db2.gz HQPVRDBAYWNJFM-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024377014 735794400 /nfs/dbraw/zinc/79/44/00/735794400.db2.gz HQPVRDBAYWNJFM-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024377014 735794402 /nfs/dbraw/zinc/79/44/02/735794402.db2.gz HQPVRDBAYWNJFM-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001024377014 735794405 /nfs/dbraw/zinc/79/44/05/735794405.db2.gz HQPVRDBAYWNJFM-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001025818140 736869561 /nfs/dbraw/zinc/86/95/61/736869561.db2.gz ULEJZVNCVVUTCF-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001025818140 736869562 /nfs/dbraw/zinc/86/95/62/736869562.db2.gz ULEJZVNCVVUTCF-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001025818140 736869563 /nfs/dbraw/zinc/86/95/63/736869563.db2.gz ULEJZVNCVVUTCF-FIDHJVLJSA-N 2 1 303.450 1.626 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001038696624 738100050 /nfs/dbraw/zinc/10/00/50/738100050.db2.gz AEKPRVCGXWEDHU-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001038696624 738100052 /nfs/dbraw/zinc/10/00/52/738100052.db2.gz AEKPRVCGXWEDHU-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)[C@H](OC)C1 ZINC001212385342 751437767 /nfs/dbraw/zinc/43/77/67/751437767.db2.gz MPPHUSGWGCRYAE-HUUCEWRRSA-N 2 1 306.410 1.124 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](OC)C1 ZINC001212385342 751437769 /nfs/dbraw/zinc/43/77/69/751437769.db2.gz MPPHUSGWGCRYAE-HUUCEWRRSA-N 2 1 306.410 1.124 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](OC)C1 ZINC001212385342 751437774 /nfs/dbraw/zinc/43/77/74/751437774.db2.gz MPPHUSGWGCRYAE-HUUCEWRRSA-N 2 1 306.410 1.124 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590671 739721483 /nfs/dbraw/zinc/72/14/83/739721483.db2.gz DEKARXVXDJWYHC-CABCVRRESA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001028590671 739721485 /nfs/dbraw/zinc/72/14/85/739721485.db2.gz DEKARXVXDJWYHC-CABCVRRESA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001028606681 739786707 /nfs/dbraw/zinc/78/67/07/739786707.db2.gz XJOHUDCFPKOHEN-RBSFLKMASA-N 2 1 302.422 1.918 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001028682699 739914648 /nfs/dbraw/zinc/91/46/48/739914648.db2.gz LZLUHRXMNZZKQP-CQSZACIVSA-N 2 1 311.389 1.505 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934869 740186986 /nfs/dbraw/zinc/18/69/86/740186986.db2.gz QEOCWZNADGSHSX-AWEZNQCLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001028934869 740186987 /nfs/dbraw/zinc/18/69/87/740186987.db2.gz QEOCWZNADGSHSX-AWEZNQCLSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001087620154 740680354 /nfs/dbraw/zinc/68/03/54/740680354.db2.gz TWKCGPYTZDDLEW-JKSUJKDBSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630445 740683756 /nfs/dbraw/zinc/68/37/56/740683756.db2.gz JOJVSSIOQWNZLK-QLFBSQMISA-N 2 1 300.406 1.048 20 30 DDEDMP C#CCN1CC[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H]1CC ZINC001087630445 740683757 /nfs/dbraw/zinc/68/37/57/740683757.db2.gz JOJVSSIOQWNZLK-QLFBSQMISA-N 2 1 300.406 1.048 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@@H]2C1 ZINC001088010041 740945144 /nfs/dbraw/zinc/94/51/44/740945144.db2.gz HMVASZABUQFJCF-SJORKVTESA-N 2 1 317.477 1.829 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001032629277 751722720 /nfs/dbraw/zinc/72/27/20/751722720.db2.gz ZTBBGUZLJRCSPV-XIRDDKMYSA-N 2 1 314.433 1.615 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001032629277 751722723 /nfs/dbraw/zinc/72/27/23/751722723.db2.gz ZTBBGUZLJRCSPV-XIRDDKMYSA-N 2 1 314.433 1.615 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001088810062 742415091 /nfs/dbraw/zinc/41/50/91/742415091.db2.gz CEGGSZAHWFZXIX-IKGGRYGDSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810062 742415093 /nfs/dbraw/zinc/41/50/93/742415093.db2.gz CEGGSZAHWFZXIX-IKGGRYGDSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001088810062 742415095 /nfs/dbraw/zinc/41/50/95/742415095.db2.gz CEGGSZAHWFZXIX-IKGGRYGDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088824207 742464424 /nfs/dbraw/zinc/46/44/24/742464424.db2.gz UQZNCWUVQFCMJR-KMFMINBZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H]1C ZINC001088824207 742464425 /nfs/dbraw/zinc/46/44/25/742464425.db2.gz UQZNCWUVQFCMJR-KMFMINBZSA-N 2 1 314.433 1.356 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CCC)CC2 ZINC001035718100 751788323 /nfs/dbraw/zinc/78/83/23/751788323.db2.gz XZXOKDSGOSBCNV-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132156 743263644 /nfs/dbraw/zinc/26/36/44/743263644.db2.gz QHLXNFDKJPGOCH-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132156 743263649 /nfs/dbraw/zinc/26/36/49/743263649.db2.gz QHLXNFDKJPGOCH-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001077132156 743263655 /nfs/dbraw/zinc/26/36/55/743263655.db2.gz QHLXNFDKJPGOCH-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040395326 743494292 /nfs/dbraw/zinc/49/42/92/743494292.db2.gz OFHPPLVOPFITKU-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395326 743494294 /nfs/dbraw/zinc/49/42/94/743494294.db2.gz OFHPPLVOPFITKU-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040395326 743494298 /nfs/dbraw/zinc/49/42/98/743494298.db2.gz OFHPPLVOPFITKU-WMZOPIPTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](O)C1 ZINC001083593911 743506090 /nfs/dbraw/zinc/50/60/90/743506090.db2.gz DJZWORCKEUFTBZ-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593911 743506098 /nfs/dbraw/zinc/50/60/98/743506098.db2.gz DJZWORCKEUFTBZ-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](O)C1 ZINC001083593911 743506102 /nfs/dbraw/zinc/50/61/02/743506102.db2.gz DJZWORCKEUFTBZ-ZACQAIPSSA-N 2 1 323.481 1.234 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247463 761886876 /nfs/dbraw/zinc/88/68/76/761886876.db2.gz WFKRPGMIFNEAHX-SJORKVTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203641781 744421546 /nfs/dbraw/zinc/42/15/46/744421546.db2.gz VEGOEEASQZOZLT-HOTGVXAUSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992396539 744851908 /nfs/dbraw/zinc/85/19/08/744851908.db2.gz MMBYBQDUGIQXJX-RDJZCZTQSA-N 2 1 302.422 1.652 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787082 744981952 /nfs/dbraw/zinc/98/19/52/744981952.db2.gz NHYAGGBBLQMMJR-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787082 744981955 /nfs/dbraw/zinc/98/19/55/744981955.db2.gz NHYAGGBBLQMMJR-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787082 744981958 /nfs/dbraw/zinc/98/19/58/744981958.db2.gz NHYAGGBBLQMMJR-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001190744557 745314883 /nfs/dbraw/zinc/31/48/83/745314883.db2.gz RPWOVIRZLVKOAF-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001190744557 745314889 /nfs/dbraw/zinc/31/48/89/745314889.db2.gz RPWOVIRZLVKOAF-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001190744557 745314894 /nfs/dbraw/zinc/31/48/94/745314894.db2.gz RPWOVIRZLVKOAF-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106353736 745622297 /nfs/dbraw/zinc/62/22/97/745622297.db2.gz CEPORSKIDMJOKS-ZIAGYGMSSA-N 2 1 318.421 1.057 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191921339 745645631 /nfs/dbraw/zinc/64/56/31/745645631.db2.gz ALYUTGSIKMUCRL-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431939 745695608 /nfs/dbraw/zinc/69/56/08/745695608.db2.gz MWRTWWLCSCSJLY-GDBMZVCRSA-N 2 1 320.437 1.078 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001192152426 745700945 /nfs/dbraw/zinc/70/09/45/745700945.db2.gz HEHXTZVQJUIOQU-ZDUSSCGKSA-N 2 1 320.462 1.604 20 30 DDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106665800 745884609 /nfs/dbraw/zinc/88/46/09/745884609.db2.gz BUHCJIGCTPDNLX-BRWVUGGUSA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488250 746117946 /nfs/dbraw/zinc/11/79/46/746117946.db2.gz NSWFGAHMELFJRU-CVEARBPZSA-N 2 1 311.470 1.452 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](C)CC)C2)CC1 ZINC001194247311 746320077 /nfs/dbraw/zinc/32/00/77/746320077.db2.gz WJDXWBOUFIHNJC-SJLPKXTDSA-N 2 1 319.493 1.910 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705671 746502855 /nfs/dbraw/zinc/50/28/55/746502855.db2.gz NSDXBKRHAJFYGA-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001015705671 746502860 /nfs/dbraw/zinc/50/28/60/746502860.db2.gz NSDXBKRHAJFYGA-LSDHHAIUSA-N 2 1 302.422 1.521 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC=C)[C@@H]2C)CC1 ZINC000994496494 746692903 /nfs/dbraw/zinc/69/29/03/746692903.db2.gz HKTVPIYFTWSFKJ-NVXWUHKLSA-N 2 1 303.450 1.487 20 30 DDEDMP C=C(Cl)C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003244172 747074079 /nfs/dbraw/zinc/07/40/79/747074079.db2.gz LMZALPNBWQKAPD-UHFFFAOYSA-N 2 1 311.857 1.948 20 30 DDEDMP C#CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001099355010 747233814 /nfs/dbraw/zinc/23/38/14/747233814.db2.gz WTYMDMGCQAJFHA-MRXNPFEDSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099355010 747233818 /nfs/dbraw/zinc/23/38/18/747233818.db2.gz WTYMDMGCQAJFHA-MRXNPFEDSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001099355010 747233821 /nfs/dbraw/zinc/23/38/21/747233821.db2.gz WTYMDMGCQAJFHA-MRXNPFEDSA-N 2 1 307.482 1.957 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001197908219 747315849 /nfs/dbraw/zinc/31/58/49/747315849.db2.gz UFBGCFMTMYRWGV-UHFFFAOYSA-N 2 1 311.470 1.455 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197908219 747315854 /nfs/dbraw/zinc/31/58/54/747315854.db2.gz UFBGCFMTMYRWGV-UHFFFAOYSA-N 2 1 311.470 1.455 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001197908219 747315861 /nfs/dbraw/zinc/31/58/61/747315861.db2.gz UFBGCFMTMYRWGV-UHFFFAOYSA-N 2 1 311.470 1.455 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496662 752173948 /nfs/dbraw/zinc/17/39/48/752173948.db2.gz QRFKZWNEZKYNRF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001007496662 752173956 /nfs/dbraw/zinc/17/39/56/752173956.db2.gz QRFKZWNEZKYNRF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001007496662 752173962 /nfs/dbraw/zinc/17/39/62/752173962.db2.gz QRFKZWNEZKYNRF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001007496662 752173966 /nfs/dbraw/zinc/17/39/66/752173966.db2.gz QRFKZWNEZKYNRF-DLBZAZTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001007497917 752175378 /nfs/dbraw/zinc/17/53/78/752175378.db2.gz HLXRUFGWEHAOFM-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001007497917 752175381 /nfs/dbraw/zinc/17/53/81/752175381.db2.gz HLXRUFGWEHAOFM-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001007497917 752175385 /nfs/dbraw/zinc/17/53/85/752175385.db2.gz HLXRUFGWEHAOFM-AEFFLSMTSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001007497566 752175696 /nfs/dbraw/zinc/17/56/96/752175696.db2.gz DEZKYKARHSLPSO-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001007497566 752175703 /nfs/dbraw/zinc/17/57/03/752175703.db2.gz DEZKYKARHSLPSO-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001007497566 752175711 /nfs/dbraw/zinc/17/57/11/752175711.db2.gz DEZKYKARHSLPSO-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089620838 747484877 /nfs/dbraw/zinc/48/48/77/747484877.db2.gz HGNLCOBGDFNAAG-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089620838 747484880 /nfs/dbraw/zinc/48/48/80/747484880.db2.gz HGNLCOBGDFNAAG-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089620838 747484884 /nfs/dbraw/zinc/48/48/84/747484884.db2.gz HGNLCOBGDFNAAG-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089620838 747484886 /nfs/dbraw/zinc/48/48/86/747484886.db2.gz HGNLCOBGDFNAAG-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001036120073 752188271 /nfs/dbraw/zinc/18/82/71/752188271.db2.gz ZEMBFUMYNRSHKP-LSDHHAIUSA-N 2 1 314.433 1.222 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001089642218 747539679 /nfs/dbraw/zinc/53/96/79/747539679.db2.gz FKKINUKSBCTERQ-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642218 747539682 /nfs/dbraw/zinc/53/96/82/747539682.db2.gz FKKINUKSBCTERQ-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001089642218 747539684 /nfs/dbraw/zinc/53/96/84/747539684.db2.gz FKKINUKSBCTERQ-IXDOHACOSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001089689719 747660547 /nfs/dbraw/zinc/66/05/47/747660547.db2.gz IERPPSSIDQQGAY-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP COCC#CC[N@@H+]1CC=C(CCNC(=O)C[NH+](C)C(C)C)CC1 ZINC001161946842 748353059 /nfs/dbraw/zinc/35/30/59/748353059.db2.gz HTVAJDLHTVEJGS-UHFFFAOYSA-N 2 1 321.465 1.115 20 30 DDEDMP COCC#CC[NH+]1CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001161946842 748353066 /nfs/dbraw/zinc/35/30/66/748353066.db2.gz HTVAJDLHTVEJGS-UHFFFAOYSA-N 2 1 321.465 1.115 20 30 DDEDMP COCC#CC[NH+]1CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001161946842 748353071 /nfs/dbraw/zinc/35/30/71/748353071.db2.gz HTVAJDLHTVEJGS-UHFFFAOYSA-N 2 1 321.465 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001201094308 748408518 /nfs/dbraw/zinc/40/85/18/748408518.db2.gz QPDLXCYXFHDTQG-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC001201094308 748408519 /nfs/dbraw/zinc/40/85/19/748408519.db2.gz QPDLXCYXFHDTQG-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075797 748499658 /nfs/dbraw/zinc/49/96/58/748499658.db2.gz FDHPXEISDDAXIK-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075797 748499661 /nfs/dbraw/zinc/49/96/61/748499661.db2.gz FDHPXEISDDAXIK-QGZVFWFLSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033151086 748618287 /nfs/dbraw/zinc/61/82/87/748618287.db2.gz HYNUOVABMGVHOT-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033151086 748618290 /nfs/dbraw/zinc/61/82/90/748618290.db2.gz HYNUOVABMGVHOT-HUUCEWRRSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202059051 748672759 /nfs/dbraw/zinc/67/27/59/748672759.db2.gz OMKOPLUKZGXYHF-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147844 748696697 /nfs/dbraw/zinc/69/66/97/748696697.db2.gz KZOPTUTVYCLFSH-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cncc3C2)C1 ZINC001033206819 748920427 /nfs/dbraw/zinc/92/04/27/748920427.db2.gz JPGKWQTYLRUDLQ-GJZGRUSLSA-N 2 1 300.406 1.002 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365305 749253575 /nfs/dbraw/zinc/25/35/75/749253575.db2.gz MDNIODLYLYGPLA-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365305 749253576 /nfs/dbraw/zinc/25/35/76/749253576.db2.gz MDNIODLYLYGPLA-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001033365305 749253580 /nfs/dbraw/zinc/25/35/80/749253580.db2.gz MDNIODLYLYGPLA-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001033365305 749253582 /nfs/dbraw/zinc/25/35/82/749253582.db2.gz MDNIODLYLYGPLA-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cnccc2N(C)C)C1 ZINC001033584998 749590873 /nfs/dbraw/zinc/59/08/73/749590873.db2.gz DGNXREKTQWQPFA-AWEZNQCLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001033584998 749590881 /nfs/dbraw/zinc/59/08/81/749590881.db2.gz DGNXREKTQWQPFA-AWEZNQCLSA-N 2 1 300.406 1.317 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001033684317 749713233 /nfs/dbraw/zinc/71/32/33/749713233.db2.gz MDTNBRUHDKHQLP-LWAXHKBTSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001033684317 749713240 /nfs/dbraw/zinc/71/32/40/749713240.db2.gz MDTNBRUHDKHQLP-LWAXHKBTSA-N 2 1 323.868 1.617 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001033687650 749719757 /nfs/dbraw/zinc/71/97/57/749719757.db2.gz JUPUYXACDRQRTR-KRWDZBQOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399707 761998546 /nfs/dbraw/zinc/99/85/46/761998546.db2.gz QFAAXMDAODQJAI-CVEARBPZSA-N 2 1 301.434 1.313 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001039399707 761998553 /nfs/dbraw/zinc/99/85/53/761998553.db2.gz QFAAXMDAODQJAI-CVEARBPZSA-N 2 1 301.434 1.313 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001039424042 762019875 /nfs/dbraw/zinc/01/98/75/762019875.db2.gz YSBDQRAROHZJCI-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039424042 762019885 /nfs/dbraw/zinc/01/98/85/762019885.db2.gz YSBDQRAROHZJCI-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001039424042 762019895 /nfs/dbraw/zinc/01/98/95/762019895.db2.gz YSBDQRAROHZJCI-KURKYZTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039473745 762063137 /nfs/dbraw/zinc/06/31/37/762063137.db2.gz AOZNZLJHXOPOQZ-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001039473745 762063146 /nfs/dbraw/zinc/06/31/46/762063146.db2.gz AOZNZLJHXOPOQZ-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473745 762063157 /nfs/dbraw/zinc/06/31/57/762063157.db2.gz AOZNZLJHXOPOQZ-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001039473745 762063169 /nfs/dbraw/zinc/06/31/69/762063169.db2.gz AOZNZLJHXOPOQZ-IKGGRYGDSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001034754114 750806416 /nfs/dbraw/zinc/80/64/16/750806416.db2.gz SGHKRVFEUJUWGI-LUKYLMHMSA-N 2 1 303.450 1.654 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001114618289 750850340 /nfs/dbraw/zinc/85/03/40/750850340.db2.gz AMLQFTQBMSJFOK-FVQHAEBGSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000997614902 751157792 /nfs/dbraw/zinc/15/77/92/751157792.db2.gz SUMWFZWDTGMHRH-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000997614901 751157909 /nfs/dbraw/zinc/15/79/09/751157909.db2.gz SUMWFZWDTGMHRH-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035164859 751250174 /nfs/dbraw/zinc/25/01/74/751250174.db2.gz BTQNCODRHYYJTI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035164859 751250180 /nfs/dbraw/zinc/25/01/80/751250180.db2.gz BTQNCODRHYYJTI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001035164859 751250186 /nfs/dbraw/zinc/25/01/86/751250186.db2.gz BTQNCODRHYYJTI-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001008279231 752650980 /nfs/dbraw/zinc/65/09/80/752650980.db2.gz QSAWTNGYFLWEIC-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001008279231 752650981 /nfs/dbraw/zinc/65/09/81/752650981.db2.gz QSAWTNGYFLWEIC-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008279231 752650982 /nfs/dbraw/zinc/65/09/82/752650982.db2.gz QSAWTNGYFLWEIC-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001008279231 752650983 /nfs/dbraw/zinc/65/09/83/752650983.db2.gz QSAWTNGYFLWEIC-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001095921144 752830277 /nfs/dbraw/zinc/83/02/77/752830277.db2.gz GGUSLWJCWCESCG-KSWRQPAISA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C2 ZINC001095921144 752830285 /nfs/dbraw/zinc/83/02/85/752830285.db2.gz GGUSLWJCWCESCG-KSWRQPAISA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001095921144 752830293 /nfs/dbraw/zinc/83/02/93/752830293.db2.gz GGUSLWJCWCESCG-KSWRQPAISA-N 2 1 303.450 1.462 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009142808 753085526 /nfs/dbraw/zinc/08/55/26/753085526.db2.gz FSSLVMKYVCOUJO-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001009142808 753085531 /nfs/dbraw/zinc/08/55/31/753085531.db2.gz FSSLVMKYVCOUJO-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009244271 753124481 /nfs/dbraw/zinc/12/44/81/753124481.db2.gz GGBURRAUIQTMQQ-CQSZACIVSA-N 2 1 300.406 1.365 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009244271 753124483 /nfs/dbraw/zinc/12/44/83/753124483.db2.gz GGBURRAUIQTMQQ-CQSZACIVSA-N 2 1 300.406 1.365 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001090263333 753244074 /nfs/dbraw/zinc/24/40/74/753244074.db2.gz WFMGGOSIVPXZFY-HOTGVXAUSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC=C(C)C)CC1 ZINC001000788024 762202607 /nfs/dbraw/zinc/20/26/07/762202607.db2.gz MTANVSYZWOABOE-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001000788024 762202610 /nfs/dbraw/zinc/20/26/10/762202610.db2.gz MTANVSYZWOABOE-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC=C(C)C)CC1 ZINC001000788024 762202615 /nfs/dbraw/zinc/20/26/15/762202615.db2.gz MTANVSYZWOABOE-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC=C(C)C)CC1 ZINC001000788024 762202620 /nfs/dbraw/zinc/20/26/20/762202620.db2.gz MTANVSYZWOABOE-SFHVURJKSA-N 2 1 315.461 1.799 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001108183160 753618508 /nfs/dbraw/zinc/61/85/08/753618508.db2.gz YJNGATXQIKWVEN-NVXWUHKLSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001001491173 754345295 /nfs/dbraw/zinc/34/52/95/754345295.db2.gz FMUBANZBIJODPO-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)CC)CC1 ZINC001001491173 754345301 /nfs/dbraw/zinc/34/53/01/754345301.db2.gz FMUBANZBIJODPO-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080450669 755910838 /nfs/dbraw/zinc/91/08/38/755910838.db2.gz FOLHCLKIWHGRSM-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001080450669 755910842 /nfs/dbraw/zinc/91/08/42/755910842.db2.gz FOLHCLKIWHGRSM-UKPHBRMFSA-N 2 1 314.433 1.214 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795267 756108880 /nfs/dbraw/zinc/10/88/80/756108880.db2.gz JRQIPVVKHJWQCH-UKRRQHHQSA-N 2 1 302.422 1.774 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001080795267 756108884 /nfs/dbraw/zinc/10/88/84/756108884.db2.gz JRQIPVVKHJWQCH-UKRRQHHQSA-N 2 1 302.422 1.774 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001082742562 756909904 /nfs/dbraw/zinc/90/99/04/756909904.db2.gz KAHUTGWMAJFEMY-CPUCHLNUSA-N 2 1 311.445 1.821 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016669206 757253014 /nfs/dbraw/zinc/25/30/14/757253014.db2.gz FXWMVJKTWYXRBY-JKSUJKDBSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](C(C)C)CC2 ZINC001016669206 757253021 /nfs/dbraw/zinc/25/30/21/757253021.db2.gz FXWMVJKTWYXRBY-JKSUJKDBSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579842 757258942 /nfs/dbraw/zinc/25/89/42/757258942.db2.gz HCEJIOKDBAPITQ-NCOADZHNSA-N 2 1 301.434 1.216 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097579842 757258950 /nfs/dbraw/zinc/25/89/50/757258950.db2.gz HCEJIOKDBAPITQ-NCOADZHNSA-N 2 1 301.434 1.216 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001016861675 757415669 /nfs/dbraw/zinc/41/56/69/757415669.db2.gz PAICJWDYVPBEBT-SJORKVTESA-N 2 1 317.477 1.853 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001016985133 757532029 /nfs/dbraw/zinc/53/20/29/757532029.db2.gz HNBWDWQHOBURRF-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001016985133 757532035 /nfs/dbraw/zinc/53/20/35/757532035.db2.gz HNBWDWQHOBURRF-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084598794 757692608 /nfs/dbraw/zinc/69/26/08/757692608.db2.gz GGBFCTURUPYRSY-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598794 757692611 /nfs/dbraw/zinc/69/26/11/757692611.db2.gz GGBFCTURUPYRSY-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084598794 757692616 /nfs/dbraw/zinc/69/26/16/757692616.db2.gz GGBFCTURUPYRSY-FGTMMUONSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017633363 758101631 /nfs/dbraw/zinc/10/16/31/758101631.db2.gz VPKSMGGPBURWAU-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001017633363 758101635 /nfs/dbraw/zinc/10/16/35/758101635.db2.gz VPKSMGGPBURWAU-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001017633363 758101640 /nfs/dbraw/zinc/10/16/40/758101640.db2.gz VPKSMGGPBURWAU-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001017633363 758101648 /nfs/dbraw/zinc/10/16/48/758101648.db2.gz VPKSMGGPBURWAU-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085033164 758166805 /nfs/dbraw/zinc/16/68/05/758166805.db2.gz TZWXZLZDFMAXLC-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085033164 758166791 /nfs/dbraw/zinc/16/67/91/758166791.db2.gz TZWXZLZDFMAXLC-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]21 ZINC001085033164 758166798 /nfs/dbraw/zinc/16/67/98/758166798.db2.gz TZWXZLZDFMAXLC-ZACQAIPSSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001085096860 758236251 /nfs/dbraw/zinc/23/62/51/758236251.db2.gz WDBQMVGSAFGTJY-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001085096860 758236258 /nfs/dbraw/zinc/23/62/58/758236258.db2.gz WDBQMVGSAFGTJY-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096860 758236266 /nfs/dbraw/zinc/23/62/66/758236266.db2.gz WDBQMVGSAFGTJY-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001085096860 758236274 /nfs/dbraw/zinc/23/62/74/758236274.db2.gz WDBQMVGSAFGTJY-IKGGRYGDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279465 759225890 /nfs/dbraw/zinc/22/58/90/759225890.db2.gz LNUQXMARDDRBOT-DSZOFWSKSA-N 2 1 319.449 1.053 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CC1 ZINC001085646695 759927222 /nfs/dbraw/zinc/92/72/22/759927222.db2.gz MNCRGYGXMBTRKD-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001085646695 759927225 /nfs/dbraw/zinc/92/72/25/759927225.db2.gz MNCRGYGXMBTRKD-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CC1 ZINC001085646695 759927228 /nfs/dbraw/zinc/92/72/28/759927228.db2.gz MNCRGYGXMBTRKD-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCC1CC1 ZINC001085646695 759927232 /nfs/dbraw/zinc/92/72/32/759927232.db2.gz MNCRGYGXMBTRKD-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001019452421 759953255 /nfs/dbraw/zinc/95/32/55/759953255.db2.gz HNKQWHRJWLSFOR-ZDUSSCGKSA-N 2 1 310.829 1.950 20 30 DDEDMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820231 760296507 /nfs/dbraw/zinc/29/65/07/760296507.db2.gz ULDPQSDPUFQFQX-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001085820231 760296510 /nfs/dbraw/zinc/29/65/10/760296510.db2.gz ULDPQSDPUFQFQX-SFHVURJKSA-N 2 1 313.445 1.570 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001108215333 760398399 /nfs/dbraw/zinc/39/83/99/760398399.db2.gz DQKFRADMICVSLD-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215333 760398411 /nfs/dbraw/zinc/39/84/11/760398411.db2.gz DQKFRADMICVSLD-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001108215333 760398421 /nfs/dbraw/zinc/39/84/21/760398421.db2.gz DQKFRADMICVSLD-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001038897281 761522154 /nfs/dbraw/zinc/52/21/54/761522154.db2.gz UDURBMKGILQPOV-QGZVFWFLSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC001000261759 761607611 /nfs/dbraw/zinc/60/76/11/761607611.db2.gz VIEKJTPEUORTBS-ZBFHGGJFSA-N 2 1 303.450 1.178 20 30 DDEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039125611 761762863 /nfs/dbraw/zinc/76/28/63/761762863.db2.gz FFFFVDDQJXJVPJ-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039125611 761762868 /nfs/dbraw/zinc/76/28/68/761762868.db2.gz FFFFVDDQJXJVPJ-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001039125611 761762875 /nfs/dbraw/zinc/76/28/75/761762875.db2.gz FFFFVDDQJXJVPJ-DLBZAZTESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001001475487 762897485 /nfs/dbraw/zinc/89/74/85/762897485.db2.gz FVQWHHXXCJFNGX-HNNXBMFYSA-N 2 1 300.406 1.222 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC001041302381 762945874 /nfs/dbraw/zinc/94/58/74/762945874.db2.gz WFHIRSBCGFLZBL-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC001041302381 762945879 /nfs/dbraw/zinc/94/58/79/762945879.db2.gz WFHIRSBCGFLZBL-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001041302381 762945884 /nfs/dbraw/zinc/94/58/84/762945884.db2.gz WFHIRSBCGFLZBL-JFIYKMOQSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001001569247 762969223 /nfs/dbraw/zinc/96/92/23/762969223.db2.gz IDTGAEMYQWGZDK-UHFFFAOYSA-N 2 1 320.437 1.754 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001041407745 763010018 /nfs/dbraw/zinc/01/00/18/763010018.db2.gz JAYRAPLSVPXHJC-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041407745 763010021 /nfs/dbraw/zinc/01/00/21/763010021.db2.gz JAYRAPLSVPXHJC-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001041407745 763010027 /nfs/dbraw/zinc/01/00/27/763010027.db2.gz JAYRAPLSVPXHJC-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC001041504719 763084485 /nfs/dbraw/zinc/08/44/85/763084485.db2.gz BJIMDGYMFALUHP-HKUYNNGSSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050140177 763201633 /nfs/dbraw/zinc/20/16/33/763201633.db2.gz JOQJRTHRXHCFMQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050140177 763201641 /nfs/dbraw/zinc/20/16/41/763201641.db2.gz JOQJRTHRXHCFMQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001050140177 763201645 /nfs/dbraw/zinc/20/16/45/763201645.db2.gz JOQJRTHRXHCFMQ-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001041846055 763403237 /nfs/dbraw/zinc/40/32/37/763403237.db2.gz WGCNKSUYVVZFKE-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846055 763403246 /nfs/dbraw/zinc/40/32/46/763403246.db2.gz WGCNKSUYVVZFKE-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001041846055 763403251 /nfs/dbraw/zinc/40/32/51/763403251.db2.gz WGCNKSUYVVZFKE-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]21 ZINC001042133384 763689968 /nfs/dbraw/zinc/68/99/68/763689968.db2.gz JSOOPOCPLCITKU-WMLDXEAASA-N 2 1 308.385 1.504 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)CC1 ZINC001050544705 763736369 /nfs/dbraw/zinc/73/63/69/763736369.db2.gz UGHPOXGDONYFCF-OAHLLOKOSA-N 2 1 314.433 1.871 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)CC1 ZINC001050684631 763917546 /nfs/dbraw/zinc/91/75/46/763917546.db2.gz OQUUQKJNYDUXBW-UHFFFAOYSA-N 2 1 314.433 1.564 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131691955 768274934 /nfs/dbraw/zinc/27/49/34/768274934.db2.gz BTPLAGBLWMJRPT-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704185 768272746 /nfs/dbraw/zinc/27/27/46/768272746.db2.gz SCYPDBBSBMSKLJ-FUHWJXTLSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704185 768272748 /nfs/dbraw/zinc/27/27/48/768272748.db2.gz SCYPDBBSBMSKLJ-FUHWJXTLSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704185 768272752 /nfs/dbraw/zinc/27/27/52/768272752.db2.gz SCYPDBBSBMSKLJ-FUHWJXTLSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001045984300 766760137 /nfs/dbraw/zinc/76/01/37/766760137.db2.gz WZUAEYXEKVTRAM-LJQANCHMSA-N 2 1 317.477 1.810 20 30 DDEDMP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001129947317 767079151 /nfs/dbraw/zinc/07/91/51/767079151.db2.gz URBGTSBPUDKGNR-INIZCTEOSA-N 2 1 320.412 1.489 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132270315 768723807 /nfs/dbraw/zinc/72/38/07/768723807.db2.gz SDNXCNXRHKUKIO-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H](NC(=O)COCC[NH+](C)C)CC[C@@H]1C ZINC001132426303 768842731 /nfs/dbraw/zinc/84/27/31/768842731.db2.gz VKKGNJFADZCAHH-JKSUJKDBSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)CC[C@H]1C ZINC001071646185 769785669 /nfs/dbraw/zinc/78/56/69/769785669.db2.gz SYCXITFBGYFZPZ-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849677 769984111 /nfs/dbraw/zinc/98/41/11/769984111.db2.gz PJADEAGVONPJSS-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849677 769984114 /nfs/dbraw/zinc/98/41/14/769984114.db2.gz PJADEAGVONPJSS-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849677 769984119 /nfs/dbraw/zinc/98/41/19/769984119.db2.gz PJADEAGVONPJSS-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001071873099 770206154 /nfs/dbraw/zinc/20/61/54/770206154.db2.gz RIWKZLIJMRNROK-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001133869620 770391697 /nfs/dbraw/zinc/39/16/97/770391697.db2.gz HVMIJJDUEOXPAE-DOMZBBRYSA-N 2 1 318.396 1.101 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1)CC(C)(C)C ZINC001133899577 770440925 /nfs/dbraw/zinc/44/09/25/770440925.db2.gz NCANYUJAHGFTEQ-UHFFFAOYSA-N 2 1 316.449 1.742 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049464740 770886553 /nfs/dbraw/zinc/88/65/53/770886553.db2.gz OIVUCVWKDQEQKJ-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049464740 770886560 /nfs/dbraw/zinc/88/65/60/770886560.db2.gz OIVUCVWKDQEQKJ-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049464740 770886570 /nfs/dbraw/zinc/88/65/70/770886570.db2.gz OIVUCVWKDQEQKJ-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001049902488 771246552 /nfs/dbraw/zinc/24/65/52/771246552.db2.gz ASRNKAJXFAVHTP-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001049902488 771246553 /nfs/dbraw/zinc/24/65/53/771246553.db2.gz ASRNKAJXFAVHTP-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902488 771246555 /nfs/dbraw/zinc/24/65/55/771246555.db2.gz ASRNKAJXFAVHTP-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001049902488 771246558 /nfs/dbraw/zinc/24/65/58/771246558.db2.gz ASRNKAJXFAVHTP-ZACQAIPSSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001049914907 771254382 /nfs/dbraw/zinc/25/43/82/771254382.db2.gz SFFVGSUDHSZHRF-KSZLIROESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC)CC1 ZINC001049916959 771257022 /nfs/dbraw/zinc/25/70/22/771257022.db2.gz GNIQFIAIEPYSIE-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](O)C1 ZINC001090828978 772248631 /nfs/dbraw/zinc/24/86/31/772248631.db2.gz VSNLVQNHTGJZNM-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001091068421 772502379 /nfs/dbraw/zinc/50/23/79/772502379.db2.gz MZNZJTLQWMKZPT-YMAMQOFZSA-N 2 1 302.422 1.821 20 30 DDEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001147877459 773282880 /nfs/dbraw/zinc/28/28/80/773282880.db2.gz KPGVWKFNBVPMGU-CQSZACIVSA-N 2 1 318.396 1.245 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604446 773531829 /nfs/dbraw/zinc/53/18/29/773531829.db2.gz FQEAPVCTORWDKU-UHFFFAOYSA-N 2 1 309.454 1.065 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605324 773532960 /nfs/dbraw/zinc/53/29/60/773532960.db2.gz NMRIAWUONRIOCU-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036833599 774803749 /nfs/dbraw/zinc/80/37/49/774803749.db2.gz VZRSIPPVNWIGGL-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[NH+](CC)CC ZINC001099275740 774929692 /nfs/dbraw/zinc/92/96/92/774929692.db2.gz IWIBMXNVZDTKQD-MRXNPFEDSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001036859035 774945509 /nfs/dbraw/zinc/94/55/09/774945509.db2.gz JMFMADLQAHXMGX-MSOLQXFVSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCCC[NH+](C)C ZINC001099548018 775024693 /nfs/dbraw/zinc/02/46/93/775024693.db2.gz PDSLDRBQTLVPTA-MHORFTMASA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCCC3)CC[C@@H]21 ZINC001036897084 776011886 /nfs/dbraw/zinc/01/18/86/776011886.db2.gz ZKNORVOUPNKYDZ-GJZGRUSLSA-N 2 1 311.857 1.758 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101362768 777097141 /nfs/dbraw/zinc/09/71/41/777097141.db2.gz CTIXRBJBNHMTKJ-RYRKJORJSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983020 777761661 /nfs/dbraw/zinc/76/16/61/777761661.db2.gz XXXYKXUNHHUDJO-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983020 777761670 /nfs/dbraw/zinc/76/16/70/777761670.db2.gz XXXYKXUNHHUDJO-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001101983020 777761679 /nfs/dbraw/zinc/76/16/79/777761679.db2.gz XXXYKXUNHHUDJO-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372359 778104090 /nfs/dbraw/zinc/10/40/90/778104090.db2.gz FCBKEQGOEXQTBG-IIDMSEBBSA-N 2 1 323.456 1.516 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372359 778104095 /nfs/dbraw/zinc/10/40/95/778104095.db2.gz FCBKEQGOEXQTBG-IIDMSEBBSA-N 2 1 323.456 1.516 20 30 DDEDMP C#CC[NH+]1C[C@@H](CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](C)C1 ZINC001102372359 778104098 /nfs/dbraw/zinc/10/40/98/778104098.db2.gz FCBKEQGOEXQTBG-IIDMSEBBSA-N 2 1 323.456 1.516 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102486429 778166267 /nfs/dbraw/zinc/16/62/67/778166267.db2.gz DJXQWSBGGAPDBM-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP COCC#CC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001176590553 778176618 /nfs/dbraw/zinc/17/66/18/778176618.db2.gz ATKZYPBIAAZGFW-OAHLLOKOSA-N 2 1 320.437 1.106 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177119905 778433639 /nfs/dbraw/zinc/43/36/39/778433639.db2.gz QNFUKYHJQJUVGV-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](CC)CC)C[C@H]21 ZINC001177119905 778433640 /nfs/dbraw/zinc/43/36/40/778433640.db2.gz QNFUKYHJQJUVGV-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088892 778441737 /nfs/dbraw/zinc/44/17/37/778441737.db2.gz OOILBEYYLVFTAQ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001177088892 778441740 /nfs/dbraw/zinc/44/17/40/778441740.db2.gz OOILBEYYLVFTAQ-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103435160 778865810 /nfs/dbraw/zinc/86/58/10/778865810.db2.gz SGCVBDKSKHOWAS-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103435160 778865820 /nfs/dbraw/zinc/86/58/20/778865820.db2.gz SGCVBDKSKHOWAS-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103435160 778865826 /nfs/dbraw/zinc/86/58/26/778865826.db2.gz SGCVBDKSKHOWAS-BRWVUGGUSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1C ZINC001179396934 779357260 /nfs/dbraw/zinc/35/72/60/779357260.db2.gz XGRYJZVKWBBFCQ-YESZJQIVSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1C ZINC001179396934 779357267 /nfs/dbraw/zinc/35/72/67/779357267.db2.gz XGRYJZVKWBBFCQ-YESZJQIVSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCOCC[NH2+]CCCCCCNC(=O)CC[N@H+](C)CC ZINC001179988479 779570437 /nfs/dbraw/zinc/57/04/37/779570437.db2.gz IOXVGYONMBQKIH-UHFFFAOYSA-N 2 1 313.486 1.797 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950973 779575690 /nfs/dbraw/zinc/57/56/90/779575690.db2.gz MSFNSQSXMYDZJY-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950973 779575697 /nfs/dbraw/zinc/57/56/97/779575697.db2.gz MSFNSQSXMYDZJY-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950973 779575702 /nfs/dbraw/zinc/57/57/02/779575702.db2.gz MSFNSQSXMYDZJY-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001115450926 780143468 /nfs/dbraw/zinc/14/34/68/780143468.db2.gz UECYOPBUOOISHZ-MRXNPFEDSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001267296555 837772822 /nfs/dbraw/zinc/77/28/22/837772822.db2.gz PSZZIPJTEXTHDS-HOTGVXAUSA-N 2 1 316.449 1.850 20 30 DDEDMP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267316912 837812090 /nfs/dbraw/zinc/81/20/90/837812090.db2.gz HPWSSAIVGHWWMT-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267316912 837812098 /nfs/dbraw/zinc/81/20/98/837812098.db2.gz HPWSSAIVGHWWMT-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487125 836335093 /nfs/dbraw/zinc/33/50/93/836335093.db2.gz UHBVLNRXQYTGBN-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001266487125 836335106 /nfs/dbraw/zinc/33/51/06/836335106.db2.gz UHBVLNRXQYTGBN-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267061769 837270997 /nfs/dbraw/zinc/27/09/97/837270997.db2.gz SGYOWKHAGDLMQZ-IRXDYDNUSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001267548464 838286036 /nfs/dbraw/zinc/28/60/36/838286036.db2.gz GEHNXDVSYILADH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCN1CC[C@@H](N(CCC)C(=O)[C@H]2CN(CC)CCO2)C1 ZINC001267548464 838286045 /nfs/dbraw/zinc/28/60/45/838286045.db2.gz GEHNXDVSYILADH-HZPDHXFCSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267585095 838368383 /nfs/dbraw/zinc/36/83/83/838368383.db2.gz OLQHHOFNEMZHDE-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267585095 838368390 /nfs/dbraw/zinc/36/83/90/838368390.db2.gz OLQHHOFNEMZHDE-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267585095 838368393 /nfs/dbraw/zinc/36/83/93/838368393.db2.gz OLQHHOFNEMZHDE-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267605455 838426916 /nfs/dbraw/zinc/42/69/16/838426916.db2.gz UWPSIWVNYFFZTB-WMZOPIPTSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001267605455 838426921 /nfs/dbraw/zinc/42/69/21/838426921.db2.gz UWPSIWVNYFFZTB-WMZOPIPTSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267634516 838543405 /nfs/dbraw/zinc/54/34/05/838543405.db2.gz CFIPRQMHRVETKJ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267634516 838543412 /nfs/dbraw/zinc/54/34/12/838543412.db2.gz CFIPRQMHRVETKJ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001268584286 840488003 /nfs/dbraw/zinc/48/80/03/840488003.db2.gz YFQKNCWIGVDAMZ-IYKSTZQJSA-N 2 1 302.422 1.592 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268848270 840898866 /nfs/dbraw/zinc/89/88/66/840898866.db2.gz VXDKWFVGPSSPGR-UHFFFAOYSA-N 2 1 318.421 1.345 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001270136020 842323724 /nfs/dbraw/zinc/32/37/24/842323724.db2.gz AKGKQQYXCQLSIV-YOEHRIQHSA-N 2 1 309.429 1.413 20 30 DDEDMP C=CCN1C[C@@]2(CC[N@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001272715974 846702336 /nfs/dbraw/zinc/70/23/36/846702336.db2.gz BKWHFNICAOOPKW-SFHVURJKSA-N 2 1 321.465 1.352 20 30 DDEDMP C=CCN1C[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)OCC1=O ZINC001272715974 846702350 /nfs/dbraw/zinc/70/23/50/846702350.db2.gz BKWHFNICAOOPKW-SFHVURJKSA-N 2 1 321.465 1.352 20 30 DDEDMP C#CC[NH2+]CC[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001273018285 847791082 /nfs/dbraw/zinc/79/10/82/847791082.db2.gz IGCKOQVOTPTPRH-ZDUSSCGKSA-N 2 1 304.394 1.002 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034274890 848222891 /nfs/dbraw/zinc/22/28/91/848222891.db2.gz VHQZAOFIVWVFOV-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034274890 848222894 /nfs/dbraw/zinc/22/28/94/848222894.db2.gz VHQZAOFIVWVFOV-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274890 848222904 /nfs/dbraw/zinc/22/29/04/848222904.db2.gz VHQZAOFIVWVFOV-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034274890 848222910 /nfs/dbraw/zinc/22/29/10/848222910.db2.gz VHQZAOFIVWVFOV-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309420 848302830 /nfs/dbraw/zinc/30/28/30/848302830.db2.gz LYTCVDMZOFQJPW-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001034394942 848458158 /nfs/dbraw/zinc/45/81/58/848458158.db2.gz SGONFTSOKCVTEO-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394942 848458160 /nfs/dbraw/zinc/45/81/60/848458160.db2.gz SGONFTSOKCVTEO-HOTGVXAUSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCN1CC[C@]2(CCC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001273144508 848566555 /nfs/dbraw/zinc/56/65/55/848566555.db2.gz QIZGXWACYVAGRU-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144508 848566560 /nfs/dbraw/zinc/56/65/60/848566560.db2.gz QIZGXWACYVAGRU-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCN1CC[C@]2(CCC[N@H+](C[C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001273144508 848566564 /nfs/dbraw/zinc/56/65/64/848566564.db2.gz QIZGXWACYVAGRU-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCCCN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001327404270 862143282 /nfs/dbraw/zinc/14/32/82/862143282.db2.gz FNISBBLNLMASRZ-LSDHHAIUSA-N 2 1 307.438 1.006 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001327404270 862143303 /nfs/dbraw/zinc/14/33/03/862143303.db2.gz FNISBBLNLMASRZ-LSDHHAIUSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001150297784 862173041 /nfs/dbraw/zinc/17/30/41/862173041.db2.gz CSZZBVHOQAUDFH-DLBZAZTESA-N 2 1 323.481 1.337 20 30 DDEDMP N#CCCCC[N@@H+]1CC[C@@]2(CCN(CCn3ccnc3)C2=O)C1 ZINC001274042156 851883487 /nfs/dbraw/zinc/88/34/87/851883487.db2.gz BZJWDHNCBABCOG-QGZVFWFLSA-N 2 1 315.421 1.501 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001150589516 862336807 /nfs/dbraw/zinc/33/68/07/862336807.db2.gz UTBLZSRYFRXZJL-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150589516 862336820 /nfs/dbraw/zinc/33/68/20/862336820.db2.gz UTBLZSRYFRXZJL-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001150589516 862336842 /nfs/dbraw/zinc/33/68/42/862336842.db2.gz UTBLZSRYFRXZJL-DLBZAZTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001275432256 853110731 /nfs/dbraw/zinc/11/07/31/853110731.db2.gz ABDLWJCEIYPSKF-QWHCGFSZSA-N 2 1 308.426 1.799 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001327922506 862566108 /nfs/dbraw/zinc/56/61/08/862566108.db2.gz FWAQBGDDCKWPSQ-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001049549024 856960536 /nfs/dbraw/zinc/96/05/36/856960536.db2.gz MYJJLALPLFLGMP-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001049549024 856960541 /nfs/dbraw/zinc/96/05/41/856960541.db2.gz MYJJLALPLFLGMP-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001049549024 856960544 /nfs/dbraw/zinc/96/05/44/856960544.db2.gz MYJJLALPLFLGMP-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549024 856960548 /nfs/dbraw/zinc/96/05/48/856960548.db2.gz MYJJLALPLFLGMP-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001049549024 856960551 /nfs/dbraw/zinc/96/05/51/856960551.db2.gz MYJJLALPLFLGMP-YYIAUSFCSA-N 2 1 321.465 1.347 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4nccn43)C2)C1 ZINC001072813045 857741397 /nfs/dbraw/zinc/74/13/97/857741397.db2.gz DBNJWYXLEZHHIL-CQSZACIVSA-N 2 1 300.406 1.481 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C2)C1 ZINC001072813045 857741405 /nfs/dbraw/zinc/74/14/05/857741405.db2.gz DBNJWYXLEZHHIL-CQSZACIVSA-N 2 1 300.406 1.481 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001072858910 857810721 /nfs/dbraw/zinc/81/07/21/857810721.db2.gz NIBPDXIWMIZPRL-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001072858910 857810731 /nfs/dbraw/zinc/81/07/31/857810731.db2.gz NIBPDXIWMIZPRL-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001072858910 857810737 /nfs/dbraw/zinc/81/07/37/857810737.db2.gz NIBPDXIWMIZPRL-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001072858910 857810744 /nfs/dbraw/zinc/81/07/44/857810744.db2.gz NIBPDXIWMIZPRL-AWEZNQCLSA-N 2 1 311.857 1.758 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)C2)C1 ZINC001073033320 858025555 /nfs/dbraw/zinc/02/55/55/858025555.db2.gz IRMAFYZJJJLXCA-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033320 858025560 /nfs/dbraw/zinc/02/55/60/858025560.db2.gz IRMAFYZJJJLXCA-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001073033320 858025563 /nfs/dbraw/zinc/02/55/63/858025563.db2.gz IRMAFYZJJJLXCA-INIZCTEOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001073035344 858028784 /nfs/dbraw/zinc/02/87/84/858028784.db2.gz FBYRIKHSHCJATI-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125737 858121155 /nfs/dbraw/zinc/12/11/55/858121155.db2.gz ICMGTBSTRULRRQ-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001122056331 858673863 /nfs/dbraw/zinc/67/38/63/858673863.db2.gz OTKMPRVAKVVAQJ-XOGYLQAWSA-N 2 1 303.450 1.369 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001202872601 860214299 /nfs/dbraw/zinc/21/42/99/860214299.db2.gz JAXQHZLRZRTREH-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[NH+]1CCC(CNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001224855069 881562072 /nfs/dbraw/zinc/56/20/72/881562072.db2.gz KJALEBMGUNYVGK-UHFFFAOYSA-N 2 1 309.454 1.113 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001154381271 861060337 /nfs/dbraw/zinc/06/03/37/861060337.db2.gz KPYJVMOWYGKXQE-CTMQZQKCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001154381271 861060351 /nfs/dbraw/zinc/06/03/51/861060351.db2.gz KPYJVMOWYGKXQE-CTMQZQKCSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001154381271 861060365 /nfs/dbraw/zinc/06/03/65/861060365.db2.gz KPYJVMOWYGKXQE-CTMQZQKCSA-N 2 1 321.465 1.252 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001153879534 864189745 /nfs/dbraw/zinc/18/97/45/864189745.db2.gz IJWKCTBSFNRZKY-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001153879534 864189762 /nfs/dbraw/zinc/18/97/62/864189762.db2.gz IJWKCTBSFNRZKY-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001153879534 864189771 /nfs/dbraw/zinc/18/97/71/864189771.db2.gz IJWKCTBSFNRZKY-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157977430 864325288 /nfs/dbraw/zinc/32/52/88/864325288.db2.gz CQDOTACSINKYAV-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157977430 864325300 /nfs/dbraw/zinc/32/53/00/864325300.db2.gz CQDOTACSINKYAV-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157977430 864325319 /nfs/dbraw/zinc/32/53/19/864325319.db2.gz CQDOTACSINKYAV-BRWVUGGUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001330598402 864478163 /nfs/dbraw/zinc/47/81/63/864478163.db2.gz BYIJGAVEXZZUSR-BRWVUGGUSA-N 2 1 317.477 1.759 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCCn3ccnc3C)CCC[C@@H]12 ZINC001332109715 865584040 /nfs/dbraw/zinc/58/40/40/865584040.db2.gz HBAWQUCFBBEPGL-AEFFLSMTSA-N 2 1 314.433 1.718 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3C)CCC[C@@H]12 ZINC001332109715 865584048 /nfs/dbraw/zinc/58/40/48/865584048.db2.gz HBAWQUCFBBEPGL-AEFFLSMTSA-N 2 1 314.433 1.718 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001332203046 865663538 /nfs/dbraw/zinc/66/35/38/865663538.db2.gz ZWABHNREHGIKIE-NVXWUHKLSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001160593242 865962423 /nfs/dbraw/zinc/96/24/23/865962423.db2.gz ODICCYBNZFAMFR-UHFFFAOYSA-N 2 1 301.434 1.386 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319748951 866268563 /nfs/dbraw/zinc/26/85/63/866268563.db2.gz BKGULTZFFAUHTP-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001323061779 866305272 /nfs/dbraw/zinc/30/52/72/866305272.db2.gz DPPOJOSIHPWPLD-MAUKXSAKSA-N 2 1 323.456 1.707 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001320109507 866479478 /nfs/dbraw/zinc/47/94/78/866479478.db2.gz CQWLVXQHUHMZAA-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001320109507 866479496 /nfs/dbraw/zinc/47/94/96/866479496.db2.gz CQWLVXQHUHMZAA-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001320109507 866479514 /nfs/dbraw/zinc/47/95/14/866479514.db2.gz CQWLVXQHUHMZAA-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001320109508 866481168 /nfs/dbraw/zinc/48/11/68/866481168.db2.gz CQWLVXQHUHMZAA-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001320109508 866481170 /nfs/dbraw/zinc/48/11/70/866481170.db2.gz CQWLVXQHUHMZAA-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001320109508 866481172 /nfs/dbraw/zinc/48/11/72/866481172.db2.gz CQWLVXQHUHMZAA-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001321064184 867277222 /nfs/dbraw/zinc/27/72/22/867277222.db2.gz LSNIPOONIQEGCP-WLMCBFPDSA-N 2 1 303.450 1.536 20 30 DDEDMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001321266874 867447280 /nfs/dbraw/zinc/44/72/80/867447280.db2.gz XOUNRPVRUGJGKJ-JKCVZHOFSA-N 2 1 311.429 1.227 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)(COC)CC1 ZINC001162603922 867671785 /nfs/dbraw/zinc/67/17/85/867671785.db2.gz CXMHHHUXHUDISD-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001325053786 867723702 /nfs/dbraw/zinc/72/37/02/867723702.db2.gz KNPPHAZCIATTFU-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001325053786 867723707 /nfs/dbraw/zinc/72/37/07/867723707.db2.gz KNPPHAZCIATTFU-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325053786 867723714 /nfs/dbraw/zinc/72/37/14/867723714.db2.gz KNPPHAZCIATTFU-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325053786 867723719 /nfs/dbraw/zinc/72/37/19/867723719.db2.gz KNPPHAZCIATTFU-CQSZACIVSA-N 2 1 315.408 1.425 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001325055744 867725879 /nfs/dbraw/zinc/72/58/79/867725879.db2.gz VBDMAUWSKIIQTO-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[NH+]1CCC(F)(F)[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001325055744 867725884 /nfs/dbraw/zinc/72/58/84/867725884.db2.gz VBDMAUWSKIIQTO-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001325055744 867725897 /nfs/dbraw/zinc/72/58/97/867725897.db2.gz VBDMAUWSKIIQTO-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001325055744 867725900 /nfs/dbraw/zinc/72/59/00/867725900.db2.gz VBDMAUWSKIIQTO-KGLIPLIRSA-N 2 1 313.392 1.035 20 30 DDEDMP C#CC[NH2+]CCN(CCc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001162747510 867798811 /nfs/dbraw/zinc/79/88/11/867798811.db2.gz XHXWIIYYRATWSB-SFHVURJKSA-N 2 1 313.445 1.375 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001322230754 868064215 /nfs/dbraw/zinc/06/42/15/868064215.db2.gz NIBKIIRERZDAQA-ZFWWWQNUSA-N 2 1 304.438 1.767 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001322230754 868064231 /nfs/dbraw/zinc/06/42/31/868064231.db2.gz NIBKIIRERZDAQA-ZFWWWQNUSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CCC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317064406 870189189 /nfs/dbraw/zinc/18/91/89/870189189.db2.gz MYWWOMPXQNPCSJ-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317088722 870228460 /nfs/dbraw/zinc/22/84/60/870228460.db2.gz YSTBFIBUUVDATF-WKILWMFISA-N 2 1 309.454 1.302 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001317321917 870637723 /nfs/dbraw/zinc/63/77/23/870637723.db2.gz KUMMFKULUDSGPI-HOTGVXAUSA-N 2 1 316.449 1.858 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001203904518 870827427 /nfs/dbraw/zinc/82/74/27/870827427.db2.gz ZEWMZKXJMBMMFA-QGZVFWFLSA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001317482480 870898715 /nfs/dbraw/zinc/89/87/15/870898715.db2.gz VGUCABPXWSFGRU-UHFFFAOYSA-N 2 1 307.482 1.960 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC=C(C)C)CC1 ZINC001317492252 870912523 /nfs/dbraw/zinc/91/25/23/870912523.db2.gz JOKDIELBRHWZLP-UHFFFAOYSA-N 2 1 305.466 1.736 20 30 DDEDMP C=CCOc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1 ZINC001204303634 871047874 /nfs/dbraw/zinc/04/78/74/871047874.db2.gz NZQFJEQDQBOBHH-UHFFFAOYSA-N 2 1 303.450 1.931 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001317848172 871587044 /nfs/dbraw/zinc/58/70/44/871587044.db2.gz KGLNEJRGSAEMQZ-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317848172 871587053 /nfs/dbraw/zinc/58/70/53/871587053.db2.gz KGLNEJRGSAEMQZ-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317848172 871587063 /nfs/dbraw/zinc/58/70/63/871587063.db2.gz KGLNEJRGSAEMQZ-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001318726418 872228535 /nfs/dbraw/zinc/22/85/35/872228535.db2.gz IINVNHJCUNINNS-FUHWJXTLSA-N 2 1 323.481 1.548 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001318726418 872228548 /nfs/dbraw/zinc/22/85/48/872228548.db2.gz IINVNHJCUNINNS-FUHWJXTLSA-N 2 1 323.481 1.548 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001344778064 873112097 /nfs/dbraw/zinc/11/20/97/873112097.db2.gz OOSFTHLOJPRWQD-IHRRRGAJSA-N 2 1 310.467 1.094 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001344778064 873112103 /nfs/dbraw/zinc/11/21/03/873112103.db2.gz OOSFTHLOJPRWQD-IHRRRGAJSA-N 2 1 310.467 1.094 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](CC3CC[NH+](C)CC3)C2)C1=O ZINC001207396343 873231537 /nfs/dbraw/zinc/23/15/37/873231537.db2.gz GBTFQZPTOIZTCE-SFHVURJKSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576283 874280597 /nfs/dbraw/zinc/28/05/97/874280597.db2.gz FTWWFQGPYKLQPK-HNNXBMFYSA-N 2 1 314.433 1.366 20 30 DDEDMP C[NH+](C)CCN1CC[N@@H+](CCc2ccc(C#N)cc2)CCC1=O ZINC001208926930 874528296 /nfs/dbraw/zinc/52/82/96/874528296.db2.gz GUQJHMSNPOZTMT-UHFFFAOYSA-N 2 1 314.433 1.197 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001381928047 882974871 /nfs/dbraw/zinc/97/48/71/882974871.db2.gz JYUSDSSVHNHGAZ-ZNMIVQPWSA-N 2 1 313.873 1.907 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](OC)C1 ZINC001213925985 876103923 /nfs/dbraw/zinc/10/39/23/876103923.db2.gz ZVUMLMWGALGMKY-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001213925985 876103926 /nfs/dbraw/zinc/10/39/26/876103926.db2.gz ZVUMLMWGALGMKY-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H](OC)C1 ZINC001213925985 876103930 /nfs/dbraw/zinc/10/39/30/876103930.db2.gz ZVUMLMWGALGMKY-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001214780185 876464274 /nfs/dbraw/zinc/46/42/74/876464274.db2.gz ONSVVJCTVWFAAF-ZACQAIPSSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001215024777 876542878 /nfs/dbraw/zinc/54/28/78/876542878.db2.gz QREWZBYZONYVEH-CZUORRHYSA-N 2 1 320.437 1.753 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001276747990 877064026 /nfs/dbraw/zinc/06/40/26/877064026.db2.gz HZAIPYSXPPEMKY-NXOAAHMSSA-N 2 1 303.450 1.034 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C1 ZINC001218966180 877837034 /nfs/dbraw/zinc/83/70/34/877837034.db2.gz XLZOBKPHRCJIHN-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218966180 877837049 /nfs/dbraw/zinc/83/70/49/877837049.db2.gz XLZOBKPHRCJIHN-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001218966180 877837065 /nfs/dbraw/zinc/83/70/65/877837065.db2.gz XLZOBKPHRCJIHN-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813737 878527105 /nfs/dbraw/zinc/52/71/05/878527105.db2.gz BOTCZAWSVONGGN-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813737 878527121 /nfs/dbraw/zinc/52/71/21/878527121.db2.gz BOTCZAWSVONGGN-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219813737 878527138 /nfs/dbraw/zinc/52/71/38/878527138.db2.gz BOTCZAWSVONGGN-SJORKVTESA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001220868348 879329501 /nfs/dbraw/zinc/32/95/01/879329501.db2.gz GWQUJXCQAFVVQM-ROUUACIJSA-N 2 1 313.445 1.495 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001221158674 879540883 /nfs/dbraw/zinc/54/08/83/879540883.db2.gz RLESUNWNZLWXRV-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221962427 880167795 /nfs/dbraw/zinc/16/77/95/880167795.db2.gz CNBDLLQOIPRDDZ-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C[NH+](C)CCC(=O)NC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC001228991646 883760401 /nfs/dbraw/zinc/76/04/01/883760401.db2.gz ITUGTPMSJTZQFU-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001230438230 884489989 /nfs/dbraw/zinc/48/99/89/884489989.db2.gz BQXSGUNRXWLUHG-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001230438230 884489995 /nfs/dbraw/zinc/48/99/95/884489995.db2.gz BQXSGUNRXWLUHG-UHFFFAOYSA-N 2 1 313.445 1.722 20 30 DDEDMP C=CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001277501695 885442564 /nfs/dbraw/zinc/44/25/64/885442564.db2.gz UUSBLLLSTRVCQZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001277501695 885442570 /nfs/dbraw/zinc/44/25/70/885442570.db2.gz UUSBLLLSTRVCQZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[NH+](C)CCOCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001277501695 885442575 /nfs/dbraw/zinc/44/25/75/885442575.db2.gz UUSBLLLSTRVCQZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001277656293 886316085 /nfs/dbraw/zinc/31/60/85/886316085.db2.gz ZFLGLVGLSKCQAY-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001277785789 887041199 /nfs/dbraw/zinc/04/11/99/887041199.db2.gz OKTCHTRHVPYWJA-GOEBONIOSA-N 2 1 320.437 1.363 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234401066 887939587 /nfs/dbraw/zinc/93/95/87/887939587.db2.gz ANIMUYYWTJEUFH-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001234401066 887939596 /nfs/dbraw/zinc/93/95/96/887939596.db2.gz ANIMUYYWTJEUFH-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP N#CCC[NH+]1CCC2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277939116 888579800 /nfs/dbraw/zinc/57/98/00/888579800.db2.gz NCOLYSGNDJOZRC-UHFFFAOYSA-N 2 1 300.406 1.989 20 30 DDEDMP N#CCC[NH+]1CCC2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277939116 888579812 /nfs/dbraw/zinc/57/98/12/888579812.db2.gz NCOLYSGNDJOZRC-UHFFFAOYSA-N 2 1 300.406 1.989 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)n1cnc(C)c1 ZINC001235795431 888952971 /nfs/dbraw/zinc/95/29/71/888952971.db2.gz IAOJPTAJQFHUMX-OAHLLOKOSA-N 2 1 302.422 1.483 20 30 DDEDMP CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235997982 889053698 /nfs/dbraw/zinc/05/36/98/889053698.db2.gz IMFFEHFKTNQJIO-BYICEURKSA-N 2 1 314.433 1.442 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC001290847914 913529281 /nfs/dbraw/zinc/52/92/81/913529281.db2.gz KHXRZUHFZCHEOH-UHFFFAOYSA-N 2 1 316.449 1.490 20 30 DDEDMP N#Cc1cccc(N2C[C@]3(CC[N@H+](C4CC[NH2+]CC4)C3)CC2=O)c1 ZINC001246765584 892875102 /nfs/dbraw/zinc/87/51/02/892875102.db2.gz HHYODUHOZGWWPF-LJQANCHMSA-N 2 1 324.428 1.739 20 30 DDEDMP C=CCOC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC001252484040 895203430 /nfs/dbraw/zinc/20/34/30/895203430.db2.gz YJFQZLPXYAIEPM-GOSISDBHSA-N 2 1 320.433 1.172 20 30 DDEDMP C=CCCN1CC(O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001278867799 896942819 /nfs/dbraw/zinc/94/28/19/896942819.db2.gz CLMNYJWOQSVQJD-CQSZACIVSA-N 2 1 320.437 1.136 20 30 DDEDMP C[C@@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC001256584918 897489058 /nfs/dbraw/zinc/48/90/58/897489058.db2.gz KTRRJUASGRABJC-HNNXBMFYSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC)C2)C1 ZINC001262041313 899910864 /nfs/dbraw/zinc/91/08/64/899910864.db2.gz UHWLGCLYZYNDIB-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@H+](CC)C2)C1 ZINC001262041313 899910870 /nfs/dbraw/zinc/91/08/70/899910870.db2.gz UHWLGCLYZYNDIB-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)C1 ZINC001262041313 899910876 /nfs/dbraw/zinc/91/08/76/899910876.db2.gz UHWLGCLYZYNDIB-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CCC[NH+](CC)C2)C1 ZINC001262041313 899910883 /nfs/dbraw/zinc/91/08/83/899910883.db2.gz UHWLGCLYZYNDIB-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)CC#CCOC)CC[N@H+]1C ZINC001265114792 901582831 /nfs/dbraw/zinc/58/28/31/901582831.db2.gz OMOKIEYAVIJDLX-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](CC)CC#CCOC)CC[NH+]1C ZINC001265114792 901582839 /nfs/dbraw/zinc/58/28/39/901582839.db2.gz OMOKIEYAVIJDLX-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](CC)CC#CCOC)CC[NH+]1C ZINC001265114792 901582847 /nfs/dbraw/zinc/58/28/47/901582847.db2.gz OMOKIEYAVIJDLX-DLBZAZTESA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCOCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001265323687 901886308 /nfs/dbraw/zinc/88/63/08/901886308.db2.gz MAOYXOFVJMHMRD-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C(C)C)C1CC1 ZINC001265358142 901919742 /nfs/dbraw/zinc/91/97/42/901919742.db2.gz DGMZTWHVTLWNFU-SJORKVTESA-N 2 1 303.450 1.535 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C(C)C)C1CC1 ZINC001265358142 901919752 /nfs/dbraw/zinc/91/97/52/901919752.db2.gz DGMZTWHVTLWNFU-SJORKVTESA-N 2 1 303.450 1.535 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001265386427 901950162 /nfs/dbraw/zinc/95/01/62/901950162.db2.gz GCCVKDTXCNSPCJ-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265386427 901950177 /nfs/dbraw/zinc/95/01/77/901950177.db2.gz GCCVKDTXCNSPCJ-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265386427 901950191 /nfs/dbraw/zinc/95/01/91/901950191.db2.gz GCCVKDTXCNSPCJ-IRXDYDNUSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265391103 901959650 /nfs/dbraw/zinc/95/96/50/901959650.db2.gz UAVVIAUBJYPEJJ-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265391103 901959662 /nfs/dbraw/zinc/95/96/62/901959662.db2.gz UAVVIAUBJYPEJJ-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001265391103 901959670 /nfs/dbraw/zinc/95/96/70/901959670.db2.gz UAVVIAUBJYPEJJ-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001265526045 902094987 /nfs/dbraw/zinc/09/49/87/902094987.db2.gz QDHVLNRXAZNFOY-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001265526045 902094996 /nfs/dbraw/zinc/09/49/96/902094996.db2.gz QDHVLNRXAZNFOY-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001265526045 902095010 /nfs/dbraw/zinc/09/50/10/902095010.db2.gz QDHVLNRXAZNFOY-DLBZAZTESA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001265911003 902581874 /nfs/dbraw/zinc/58/18/74/902581874.db2.gz YCOZCPJAMIDFDR-DOTOQJQBSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001266015262 902758994 /nfs/dbraw/zinc/75/89/94/902758994.db2.gz AYDXZXYWFPSBHM-GOSISDBHSA-N 2 1 313.445 1.232 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266223009 903141863 /nfs/dbraw/zinc/14/18/63/903141863.db2.gz HWDISHRLLCFQLF-KRWDZBQOSA-N 2 1 317.477 1.856 20 30 DDEDMP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001280357017 903604060 /nfs/dbraw/zinc/60/40/60/903604060.db2.gz RRPXZZGNDXJDMP-MAUKXSAKSA-N 2 1 313.445 1.928 20 30 DDEDMP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284011799 908313104 /nfs/dbraw/zinc/31/31/04/908313104.db2.gz AMCSCSMVXGEPBN-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC001394551537 909973654 /nfs/dbraw/zinc/97/36/54/909973654.db2.gz GPPJECQTNXQODG-PBHICJAKSA-N 2 1 314.433 1.446 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000330180433 223083304 /nfs/dbraw/zinc/08/33/04/223083304.db2.gz FZIGKVIHJIVAPK-PBHICJAKSA-N 2 1 319.453 1.769 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000330180433 223083307 /nfs/dbraw/zinc/08/33/07/223083307.db2.gz FZIGKVIHJIVAPK-PBHICJAKSA-N 2 1 319.453 1.769 20 30 DDEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000330248009 223094052 /nfs/dbraw/zinc/09/40/52/223094052.db2.gz ZCGWYFOKXPWYLG-HNNXBMFYSA-N 2 1 322.453 1.122 20 30 DDEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330248009 223094054 /nfs/dbraw/zinc/09/40/54/223094054.db2.gz ZCGWYFOKXPWYLG-HNNXBMFYSA-N 2 1 322.453 1.122 20 30 DDEDMP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093821457 193312705 /nfs/dbraw/zinc/31/27/05/193312705.db2.gz WKNWYTNVNLNTRT-HNNXBMFYSA-N 2 1 306.454 1.555 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093821457 193312707 /nfs/dbraw/zinc/31/27/07/193312707.db2.gz WKNWYTNVNLNTRT-HNNXBMFYSA-N 2 1 306.454 1.555 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C#N)c[nH]1 ZINC000175503163 408148675 /nfs/dbraw/zinc/14/86/75/408148675.db2.gz MJBDUWXZSWTGTF-OAHLLOKOSA-N 2 1 317.437 1.374 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C#N)[nH]1 ZINC000121255277 408171423 /nfs/dbraw/zinc/17/14/23/408171423.db2.gz RSZCXIFFSCKIII-OAHLLOKOSA-N 2 1 317.437 1.374 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+](C)CCCc2[nH+]ccn2CCC)C1=O ZINC000281412267 408884641 /nfs/dbraw/zinc/88/46/41/408884641.db2.gz RFKQCZDOSDJJMT-OAHLLOKOSA-N 2 1 304.438 1.944 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+](C)CCCc2[nH+]ccn2CCC)C1=O ZINC000281412267 408884642 /nfs/dbraw/zinc/88/46/42/408884642.db2.gz RFKQCZDOSDJJMT-OAHLLOKOSA-N 2 1 304.438 1.944 20 30 DDEDMP OCC[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CCO ZINC000351470872 410088767 /nfs/dbraw/zinc/08/87/67/410088767.db2.gz GIRDVBVWLGMAMV-ROUUACIJSA-N 2 1 308.466 1.464 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291076 222196337 /nfs/dbraw/zinc/19/63/37/222196337.db2.gz OGXCLLCGFFKDRK-KRWDZBQOSA-N 2 1 318.465 1.839 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291085 222197007 /nfs/dbraw/zinc/19/70/07/222197007.db2.gz OGXCLLCGFFKDRK-QGZVFWFLSA-N 2 1 318.465 1.839 20 30 DDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+](C(C)C)C1)N(C)Cc1ccon1 ZINC000261848196 222259586 /nfs/dbraw/zinc/25/95/86/222259586.db2.gz XPZBRCKGHAXYLU-CQSZACIVSA-N 2 1 307.442 1.802 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(N[C@@H]1C[NH+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261953233 222263909 /nfs/dbraw/zinc/26/39/09/222263909.db2.gz HZNFSYWJTSUHRT-FVQBIDKESA-N 3 1 307.486 1.118 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261953233 222263911 /nfs/dbraw/zinc/26/39/11/222263911.db2.gz HZNFSYWJTSUHRT-FVQBIDKESA-N 3 1 307.486 1.118 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)=[NH+]C ZINC000261953233 222263915 /nfs/dbraw/zinc/26/39/15/222263915.db2.gz HZNFSYWJTSUHRT-FVQBIDKESA-N 2 1 307.486 1.118 20 30 DDEDMP CC[N@@H+]1CCC[C@@H]1CNC(N[C@@H]1CN(C2CC2)C[C@H]1C)=[NH+]C ZINC000261953233 222263917 /nfs/dbraw/zinc/26/39/17/222263917.db2.gz HZNFSYWJTSUHRT-FVQBIDKESA-N 2 1 307.486 1.118 20 30 DDEDMP CCc1nc(CNC(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)=[NH+]C)cs1 ZINC000262000816 222268713 /nfs/dbraw/zinc/26/87/13/222268713.db2.gz UKVMFJBOCJOFTL-BXUZGUMPSA-N 2 1 321.494 1.853 20 30 DDEDMP [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000262862781 222298409 /nfs/dbraw/zinc/29/84/09/222298409.db2.gz ZRYKPKYEPHFFML-HZPDHXFCSA-N 2 1 308.470 1.867 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NCC[N@H+](C)C2CC2)cc1OC ZINC000264077159 222314352 /nfs/dbraw/zinc/31/43/52/222314352.db2.gz GCGJPYQKLXMFKS-UHFFFAOYSA-N 2 1 306.410 1.202 20 30 DDEDMP COc1ccc(CNC(=[NH2+])NCC[N@@H+](C)C2CC2)cc1OC ZINC000264077159 222314356 /nfs/dbraw/zinc/31/43/56/222314356.db2.gz GCGJPYQKLXMFKS-UHFFFAOYSA-N 2 1 306.410 1.202 20 30 DDEDMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000264073634 222314847 /nfs/dbraw/zinc/31/48/47/222314847.db2.gz DXUUCONMQODIQU-INIZCTEOSA-N 2 1 317.481 1.914 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1Cl ZINC000264087204 222315944 /nfs/dbraw/zinc/31/59/44/222315944.db2.gz KBCMJZVPTOOPHT-UHFFFAOYSA-N 2 1 324.856 1.509 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cccc(OC)c1 ZINC000267434976 222385172 /nfs/dbraw/zinc/38/51/72/222385172.db2.gz NNCKOVNOUSGFRJ-ZBFHGGJFSA-N 2 1 320.437 1.117 20 30 DDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1cccs1 ZINC000267457971 222386082 /nfs/dbraw/zinc/38/60/82/222386082.db2.gz UHMODLXZQASQDY-AWEZNQCLSA-N 2 1 324.494 1.553 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000369615227 418735810 /nfs/dbraw/zinc/73/58/10/418735810.db2.gz YNSPWOHAYKOZNU-INIZCTEOSA-N 2 1 306.454 1.517 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362105392 418748316 /nfs/dbraw/zinc/74/83/16/418748316.db2.gz HGJVPNCUCZDJBH-GJZGRUSLSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362105394 418748591 /nfs/dbraw/zinc/74/85/91/418748591.db2.gz HGJVPNCUCZDJBH-LSDHHAIUSA-N 2 1 303.450 1.321 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424183283 228243020 /nfs/dbraw/zinc/24/30/20/228243020.db2.gz VEJVATPIRODUJG-HYVNUMGLSA-N 2 1 314.433 1.644 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[NH+]1CC#CC[N@@H+]1CC[C@H](CO)[C@@H]1CC ZINC000451247660 420594613 /nfs/dbraw/zinc/59/46/13/420594613.db2.gz AABGAWBQEWGEQL-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[N@H+]1CC#CC[NH+]1CC[C@H](CO)[C@@H]1CC ZINC000451247660 420594619 /nfs/dbraw/zinc/59/46/19/420594619.db2.gz AABGAWBQEWGEQL-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[C@@H]1[C@H](CO)CC[N@@H+]1CC#CC[NH+]1CC[C@H](CO)[C@@H]1CC ZINC000451247660 420594623 /nfs/dbraw/zinc/59/46/23/420594623.db2.gz AABGAWBQEWGEQL-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H](CNCc2cnc3c(C#N)cnn3c2)C1 ZINC000552770968 421593412 /nfs/dbraw/zinc/59/34/12/421593412.db2.gz KOIMKESJDRNWCA-AWEZNQCLSA-N 2 1 312.421 1.811 20 30 DDEDMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000552770968 421593413 /nfs/dbraw/zinc/59/34/13/421593413.db2.gz KOIMKESJDRNWCA-AWEZNQCLSA-N 2 1 312.421 1.811 20 30 DDEDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc3c(C#N)cnn3c2)C1 ZINC000552770968 421593416 /nfs/dbraw/zinc/59/34/16/421593416.db2.gz KOIMKESJDRNWCA-AWEZNQCLSA-N 2 1 312.421 1.811 20 30 DDEDMP C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000519699981 421718281 /nfs/dbraw/zinc/71/82/81/421718281.db2.gz OKUMMRRDLOEXAV-YOEHRIQHSA-N 2 1 315.417 1.538 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644675458 423758734 /nfs/dbraw/zinc/75/87/34/423758734.db2.gz UFYREOSGKNPAHC-BZSNNMDCSA-N 2 1 304.434 1.660 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644675458 423758741 /nfs/dbraw/zinc/75/87/41/423758741.db2.gz UFYREOSGKNPAHC-BZSNNMDCSA-N 2 1 304.434 1.660 20 30 DDEDMP C[C@@H]1C[NH+](C)[C@H](C)CN1CC#CCN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000341921702 288135632 /nfs/dbraw/zinc/13/56/32/288135632.db2.gz MLCMVDSEQARHPS-XMTFNYHQSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC#CCN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000341921702 288135635 /nfs/dbraw/zinc/13/56/35/288135635.db2.gz MLCMVDSEQARHPS-XMTFNYHQSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC#CCN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000341921702 288135637 /nfs/dbraw/zinc/13/56/37/288135637.db2.gz MLCMVDSEQARHPS-XMTFNYHQSA-N 2 1 306.498 1.039 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000350029123 526423143 /nfs/dbraw/zinc/42/31/43/526423143.db2.gz ZCIQJMHDWFTUFK-MRXNPFEDSA-N 2 1 306.454 1.515 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000343764173 526593556 /nfs/dbraw/zinc/59/35/56/526593556.db2.gz WQTQWNFKSWJVNS-GDBMZVCRSA-N 2 1 308.470 1.809 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491710242 526809277 /nfs/dbraw/zinc/80/92/77/526809277.db2.gz RESGRNUCPFGVSN-GVDBMIGSSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491710242 526809281 /nfs/dbraw/zinc/80/92/81/526809281.db2.gz RESGRNUCPFGVSN-GVDBMIGSSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491710242 526809288 /nfs/dbraw/zinc/80/92/88/526809288.db2.gz RESGRNUCPFGVSN-GVDBMIGSSA-N 2 1 320.481 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000491696842 526814104 /nfs/dbraw/zinc/81/41/04/526814104.db2.gz FVAUXTGXJJOZKU-UHFFFAOYSA-N 2 1 308.470 1.363 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CC2CCCC2)C1 ZINC000971703718 695068997 /nfs/dbraw/zinc/06/89/97/695068997.db2.gz MDEOKPSEEGFIQF-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC000971703718 695069001 /nfs/dbraw/zinc/06/90/01/695069001.db2.gz MDEOKPSEEGFIQF-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC000971703718 695069003 /nfs/dbraw/zinc/06/90/03/695069003.db2.gz MDEOKPSEEGFIQF-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CC2CCCC2)C1 ZINC000971703718 695069007 /nfs/dbraw/zinc/06/90/07/695069007.db2.gz MDEOKPSEEGFIQF-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000972338604 695220642 /nfs/dbraw/zinc/22/06/42/695220642.db2.gz HOPRPTDAWIHPHF-WMLDXEAASA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000972338604 695220644 /nfs/dbraw/zinc/22/06/44/695220644.db2.gz HOPRPTDAWIHPHF-WMLDXEAASA-N 2 1 309.429 1.365 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000972338604 695220645 /nfs/dbraw/zinc/22/06/45/695220645.db2.gz HOPRPTDAWIHPHF-WMLDXEAASA-N 2 1 309.429 1.365 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC000972436733 695251318 /nfs/dbraw/zinc/25/13/18/695251318.db2.gz CSIJAMFCARILHQ-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972436733 695251320 /nfs/dbraw/zinc/25/13/20/695251320.db2.gz CSIJAMFCARILHQ-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC000972436733 695251321 /nfs/dbraw/zinc/25/13/21/695251321.db2.gz CSIJAMFCARILHQ-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000972700315 695318830 /nfs/dbraw/zinc/31/88/30/695318830.db2.gz GUWFFRUSPCYRSR-QGZVFWFLSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C(C)(C)C1 ZINC000974942158 695763092 /nfs/dbraw/zinc/76/30/92/695763092.db2.gz CFIJULXIBVXFOR-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974942158 695763094 /nfs/dbraw/zinc/76/30/94/695763094.db2.gz CFIJULXIBVXFOR-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC000974942158 695763095 /nfs/dbraw/zinc/76/30/95/695763095.db2.gz CFIJULXIBVXFOR-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112227 695797450 /nfs/dbraw/zinc/79/74/50/695797450.db2.gz RFPGDYCVHYDCLI-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC000975112227 695797452 /nfs/dbraw/zinc/79/74/52/695797452.db2.gz RFPGDYCVHYDCLI-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977615439 696235463 /nfs/dbraw/zinc/23/54/63/696235463.db2.gz MHKYNSYMFOJANF-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977615439 696235466 /nfs/dbraw/zinc/23/54/66/696235466.db2.gz MHKYNSYMFOJANF-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977615439 696235468 /nfs/dbraw/zinc/23/54/68/696235468.db2.gz MHKYNSYMFOJANF-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977615439 696235470 /nfs/dbraw/zinc/23/54/70/696235470.db2.gz MHKYNSYMFOJANF-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978141856 696330221 /nfs/dbraw/zinc/33/02/21/696330221.db2.gz JSOGKUVSBWFFCA-YHUYYLMFSA-N 2 1 323.868 1.375 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC000978355591 696369872 /nfs/dbraw/zinc/36/98/72/696369872.db2.gz ZDFARDURYHWFLM-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978355591 696369873 /nfs/dbraw/zinc/36/98/73/696369873.db2.gz ZDFARDURYHWFLM-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC000978355591 696369875 /nfs/dbraw/zinc/36/98/75/696369875.db2.gz ZDFARDURYHWFLM-NXOAAHMSSA-N 2 1 305.466 1.731 20 30 DDEDMP CC[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[N@H+]1CCc2ccccc2C1 ZINC000104167621 696618896 /nfs/dbraw/zinc/61/88/96/696618896.db2.gz GTQDWWLXEMANOV-YOEHRIQHSA-N 2 1 318.465 1.763 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC000981805318 696923470 /nfs/dbraw/zinc/92/34/70/696923470.db2.gz CQFISSWLVPIWIS-KRWDZBQOSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000981805318 696923473 /nfs/dbraw/zinc/92/34/73/696923473.db2.gz CQFISSWLVPIWIS-KRWDZBQOSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805318 696923475 /nfs/dbraw/zinc/92/34/75/696923475.db2.gz CQFISSWLVPIWIS-KRWDZBQOSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC000981805318 696923477 /nfs/dbraw/zinc/92/34/77/696923477.db2.gz CQFISSWLVPIWIS-KRWDZBQOSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC000981825781 696933404 /nfs/dbraw/zinc/93/34/04/696933404.db2.gz NQGSOXCDHAYPIU-INIZCTEOSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000981962955 696987181 /nfs/dbraw/zinc/98/71/81/696987181.db2.gz CDZWPSCDEZBMMQ-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000981962955 696987183 /nfs/dbraw/zinc/98/71/83/696987183.db2.gz CDZWPSCDEZBMMQ-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000981962955 696987185 /nfs/dbraw/zinc/98/71/85/696987185.db2.gz CDZWPSCDEZBMMQ-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)C1 ZINC000982011481 697002029 /nfs/dbraw/zinc/00/20/29/697002029.db2.gz DZSYOSXRQABTHP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011481 697002032 /nfs/dbraw/zinc/00/20/32/697002032.db2.gz DZSYOSXRQABTHP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC[C@H]3C)C2)C1 ZINC000982011481 697002036 /nfs/dbraw/zinc/00/20/36/697002036.db2.gz DZSYOSXRQABTHP-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC000982052779 697016015 /nfs/dbraw/zinc/01/60/15/697016015.db2.gz ZVJYISNXAJCCGT-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982149117 697043099 /nfs/dbraw/zinc/04/30/99/697043099.db2.gz JWDMUXGEWGMXJB-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000982149117 697043100 /nfs/dbraw/zinc/04/31/00/697043100.db2.gz JWDMUXGEWGMXJB-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982152266 697044013 /nfs/dbraw/zinc/04/40/13/697044013.db2.gz VNTDTNVVYPHIJW-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC000982152266 697044015 /nfs/dbraw/zinc/04/40/15/697044015.db2.gz VNTDTNVVYPHIJW-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000982152266 697044017 /nfs/dbraw/zinc/04/40/17/697044017.db2.gz VNTDTNVVYPHIJW-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000982152266 697044018 /nfs/dbraw/zinc/04/40/18/697044018.db2.gz VNTDTNVVYPHIJW-DLBZAZTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCC(=C)C)CC1 ZINC000981361511 697076181 /nfs/dbraw/zinc/07/61/81/697076181.db2.gz QPLBACJGLTTXJN-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCC(=C)C)CC1 ZINC000981361511 697076183 /nfs/dbraw/zinc/07/61/83/697076183.db2.gz QPLBACJGLTTXJN-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC(=C)C)CC1 ZINC000981361511 697076184 /nfs/dbraw/zinc/07/61/84/697076184.db2.gz QPLBACJGLTTXJN-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCC(=C)C)CC1 ZINC000981361511 697076186 /nfs/dbraw/zinc/07/61/86/697076186.db2.gz QPLBACJGLTTXJN-KRWDZBQOSA-N 2 1 303.450 1.585 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@H+](CC)C[C@]3(C)C2)CC1 ZINC000982831522 697183327 /nfs/dbraw/zinc/18/33/27/697183327.db2.gz NSHSOLFVOFPYQA-KDURUIRLSA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(Cl)C[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000985655058 697550848 /nfs/dbraw/zinc/55/08/48/697550848.db2.gz QOGPBTDWSVWPNO-IUODEOHRSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000985655058 697550849 /nfs/dbraw/zinc/55/08/49/697550849.db2.gz QOGPBTDWSVWPNO-IUODEOHRSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000985655058 697550850 /nfs/dbraw/zinc/55/08/50/697550850.db2.gz QOGPBTDWSVWPNO-IUODEOHRSA-N 2 1 313.873 1.859 20 30 DDEDMP CC(=NNC1=[NH+][C@H](C)CN1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000779805021 698469110 /nfs/dbraw/zinc/46/91/10/698469110.db2.gz IQMPWRQPFARCBS-CZUORRHYSA-N 2 1 315.421 1.201 20 30 DDEDMP CC(=NNC1=[NH+][C@H](C)CN1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000779805021 698469114 /nfs/dbraw/zinc/46/91/14/698469114.db2.gz IQMPWRQPFARCBS-CZUORRHYSA-N 2 1 315.421 1.201 20 30 DDEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000303892651 698609637 /nfs/dbraw/zinc/60/96/37/698609637.db2.gz NUTLGLWFQQCNDI-CQSZACIVSA-N 2 1 319.428 1.214 20 30 DDEDMP C[C@H]1CCC[C@@H](CCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000304507724 698621803 /nfs/dbraw/zinc/62/18/03/698621803.db2.gz STYYFKACOGKPLX-HOTGVXAUSA-N 2 1 310.486 1.829 20 30 DDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)c(F)c2)C1 ZINC000790511093 699464562 /nfs/dbraw/zinc/46/45/62/699464562.db2.gz UYMSOCZLQGDNPY-OAHLLOKOSA-N 2 1 320.368 1.805 20 30 DDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)c(F)c2)C1 ZINC000790511093 699464563 /nfs/dbraw/zinc/46/45/63/699464563.db2.gz UYMSOCZLQGDNPY-OAHLLOKOSA-N 2 1 320.368 1.805 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000763945376 700954232 /nfs/dbraw/zinc/95/42/32/700954232.db2.gz RNLDITFNJGYOPL-UHFFFAOYSA-N 2 1 301.434 1.757 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000764011899 700957734 /nfs/dbraw/zinc/95/77/34/700957734.db2.gz PYCRDTKPSPTVGZ-UHFFFAOYSA-N 2 1 301.434 1.491 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000804870125 701217534 /nfs/dbraw/zinc/21/75/34/701217534.db2.gz QLBVCLBOLSBDEV-KRWDZBQOSA-N 2 1 317.433 1.658 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000804870125 701217536 /nfs/dbraw/zinc/21/75/36/701217536.db2.gz QLBVCLBOLSBDEV-KRWDZBQOSA-N 2 1 317.433 1.658 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000804870125 701217539 /nfs/dbraw/zinc/21/75/39/701217539.db2.gz QLBVCLBOLSBDEV-KRWDZBQOSA-N 2 1 317.433 1.658 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000804870125 701217542 /nfs/dbraw/zinc/21/75/42/701217542.db2.gz QLBVCLBOLSBDEV-KRWDZBQOSA-N 2 1 317.433 1.658 20 30 DDEDMP C=C(C)CNC(=[NH2+])NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000849054662 703615707 /nfs/dbraw/zinc/61/57/07/703615707.db2.gz OGCBHUQAGSMYBJ-AWEZNQCLSA-N 2 1 321.494 1.727 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000876755235 705858906 /nfs/dbraw/zinc/85/89/06/705858906.db2.gz UDRXZYHZESJYID-AEFFLSMTSA-N 2 1 324.428 1.346 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000876755235 705858909 /nfs/dbraw/zinc/85/89/09/705858909.db2.gz UDRXZYHZESJYID-AEFFLSMTSA-N 2 1 324.428 1.346 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000876775022 705871434 /nfs/dbraw/zinc/87/14/34/705871434.db2.gz MIODKWGTUXJUQE-CQSZACIVSA-N 2 1 313.804 1.844 20 30 DDEDMP C1CC[C@@H]2[NH+]=C(NN=C3CCC[N@@H+]4CCSC[C@@H]34)N[C@@H]2C1 ZINC000872359818 707389843 /nfs/dbraw/zinc/38/98/43/707389843.db2.gz QBVCZINRSWNYFV-SCRDCRAPSA-N 2 1 307.467 1.414 20 30 DDEDMP C1CC[C@@H]2[NH+]=C(NN=C3CCC[N@H+]4CCSC[C@@H]34)N[C@@H]2C1 ZINC000872359818 707389849 /nfs/dbraw/zinc/38/98/49/707389849.db2.gz QBVCZINRSWNYFV-SCRDCRAPSA-N 2 1 307.467 1.414 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000838313482 707897956 /nfs/dbraw/zinc/89/79/56/707897956.db2.gz YSAHZZISVRFEIJ-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000884199243 708185032 /nfs/dbraw/zinc/18/50/32/708185032.db2.gz UDHMXXOWCGVWFK-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000884199243 708185034 /nfs/dbraw/zinc/18/50/34/708185034.db2.gz UDHMXXOWCGVWFK-CVEARBPZSA-N 2 1 306.454 1.115 20 30 DDEDMP C(#CC[N@H+]1C[C@@H]2CSC[C@@H]2C1)C[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568626 708778070 /nfs/dbraw/zinc/77/80/70/708778070.db2.gz PJKARLCXPWXUKC-GEEKYZPCSA-N 2 1 308.516 1.579 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000899909434 709234657 /nfs/dbraw/zinc/23/46/57/709234657.db2.gz CINMJIUVUXUOKP-HNNXBMFYSA-N 2 1 307.438 1.228 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)C1 ZINC000890363126 709835651 /nfs/dbraw/zinc/83/56/51/709835651.db2.gz KTPQLQRHDZTEDE-HOTGVXAUSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)C1 ZINC000890363126 709835653 /nfs/dbraw/zinc/83/56/53/709835653.db2.gz KTPQLQRHDZTEDE-HOTGVXAUSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000890363126 709835656 /nfs/dbraw/zinc/83/56/56/709835656.db2.gz KTPQLQRHDZTEDE-HOTGVXAUSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)C1 ZINC000890363126 709835660 /nfs/dbraw/zinc/83/56/60/709835660.db2.gz KTPQLQRHDZTEDE-HOTGVXAUSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000890368125 709840998 /nfs/dbraw/zinc/84/09/98/709840998.db2.gz CMZGYYRRLCXQIZ-IKGGRYGDSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000890368125 709840999 /nfs/dbraw/zinc/84/09/99/709840999.db2.gz CMZGYYRRLCXQIZ-IKGGRYGDSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000890368125 709841002 /nfs/dbraw/zinc/84/10/02/709841002.db2.gz CMZGYYRRLCXQIZ-IKGGRYGDSA-N 2 1 318.465 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000890368125 709841004 /nfs/dbraw/zinc/84/10/04/709841004.db2.gz CMZGYYRRLCXQIZ-IKGGRYGDSA-N 2 1 318.465 1.210 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000913665070 713277495 /nfs/dbraw/zinc/27/74/95/713277495.db2.gz RNCZOXHIZPRAOC-UHFFFAOYSA-N 2 1 317.437 1.280 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC000896488313 711732149 /nfs/dbraw/zinc/73/21/49/711732149.db2.gz GSOVYDJJFPZINZ-DLBZAZTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](CC)CC)C2)C1 ZINC000896488313 711732151 /nfs/dbraw/zinc/73/21/51/711732151.db2.gz GSOVYDJJFPZINZ-DLBZAZTESA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000963800072 717909315 /nfs/dbraw/zinc/90/93/15/717909315.db2.gz FDJSRTRFQVDXRY-DKVCYUOUSA-N 2 1 315.461 1.511 20 30 DDEDMP C=CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000923309634 714306692 /nfs/dbraw/zinc/30/66/92/714306692.db2.gz MSXCLCHOSXSOJO-UYTSQGDYSA-N 2 1 312.479 1.582 20 30 DDEDMP C=CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000923309634 714306695 /nfs/dbraw/zinc/30/66/95/714306695.db2.gz MSXCLCHOSXSOJO-UYTSQGDYSA-N 2 1 312.479 1.582 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC000960839399 716709484 /nfs/dbraw/zinc/70/94/84/716709484.db2.gz SKLLWVVPVLVKOL-FVQHAEBGSA-N 2 1 310.401 1.961 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000961171996 716847989 /nfs/dbraw/zinc/84/79/89/716847989.db2.gz VGVKPMSHMGRQMK-CVEARBPZSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961171996 716847993 /nfs/dbraw/zinc/84/79/93/716847993.db2.gz VGVKPMSHMGRQMK-CVEARBPZSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961171996 716847996 /nfs/dbraw/zinc/84/79/96/716847996.db2.gz VGVKPMSHMGRQMK-CVEARBPZSA-N 2 1 314.433 1.536 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962257910 717376124 /nfs/dbraw/zinc/37/61/24/717376124.db2.gz XLSQSXBXASCLBO-PIIMJCKOSA-N 2 1 317.477 1.731 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942171524 717521784 /nfs/dbraw/zinc/52/17/84/717521784.db2.gz BFCLCUDWQIOOPJ-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CCc2sccc2C1 ZINC000962721443 717566046 /nfs/dbraw/zinc/56/60/46/717566046.db2.gz POPCQWDJRNZHMV-HALDLXJZSA-N 2 1 317.458 1.339 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771770 719265977 /nfs/dbraw/zinc/26/59/77/719265977.db2.gz RBSAQZRGBQSLMZ-HUUCEWRRSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000947771770 719265979 /nfs/dbraw/zinc/26/59/79/719265979.db2.gz RBSAQZRGBQSLMZ-HUUCEWRRSA-N 2 1 302.422 1.609 20 30 DDEDMP CC#CCN1CC[C@@H](C)[C@@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000968331923 719513189 /nfs/dbraw/zinc/51/31/89/719513189.db2.gz RXROACLYPJCZCW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331923 719513190 /nfs/dbraw/zinc/51/31/90/719513190.db2.gz RXROACLYPJCZCW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000968331923 719513193 /nfs/dbraw/zinc/51/31/93/719513193.db2.gz RXROACLYPJCZCW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000968331923 719513196 /nfs/dbraw/zinc/51/31/96/719513196.db2.gz RXROACLYPJCZCW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968376659 719543304 /nfs/dbraw/zinc/54/33/04/719543304.db2.gz BIAURRCNLJNPEQ-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000968409835 719567236 /nfs/dbraw/zinc/56/72/36/719567236.db2.gz RAPCEAOIETWUNU-ZBFHGGJFSA-N 2 1 319.453 1.071 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000948741799 719681481 /nfs/dbraw/zinc/68/14/81/719681481.db2.gz FMTYQSGDGUQHLA-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000948767477 719696573 /nfs/dbraw/zinc/69/65/73/719696573.db2.gz XENONNAUPLJNHP-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767477 719696576 /nfs/dbraw/zinc/69/65/76/719696576.db2.gz XENONNAUPLJNHP-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000948767477 719696579 /nfs/dbraw/zinc/69/65/79/719696579.db2.gz XENONNAUPLJNHP-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CCF)CC[C@@H]2C)CC1 ZINC000968681246 719734095 /nfs/dbraw/zinc/73/40/95/719734095.db2.gz HZAVDZSQIYXLJV-HOCLYGCPSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCF)CC[C@@H]2C)CC1 ZINC000968681246 719734101 /nfs/dbraw/zinc/73/41/01/719734101.db2.gz HZAVDZSQIYXLJV-HOCLYGCPSA-N 2 1 309.429 1.128 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC=C)CC[C@H]2C)CC1 ZINC000968682603 719734190 /nfs/dbraw/zinc/73/41/90/719734190.db2.gz SOABKOAWOUYQHF-WBVHZDCISA-N 2 1 303.450 1.344 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968913676 719863126 /nfs/dbraw/zinc/86/31/26/719863126.db2.gz JKTYCFRMEGKYHV-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968913676 719863134 /nfs/dbraw/zinc/86/31/34/719863134.db2.gz JKTYCFRMEGKYHV-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913676 719863144 /nfs/dbraw/zinc/86/31/44/719863144.db2.gz JKTYCFRMEGKYHV-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968913676 719863152 /nfs/dbraw/zinc/86/31/52/719863152.db2.gz JKTYCFRMEGKYHV-IXDOHACOSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC000968925440 719875076 /nfs/dbraw/zinc/87/50/76/719875076.db2.gz DHMWURZFWOIBRK-HOTGVXAUSA-N 2 1 316.449 1.992 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153335 719979076 /nfs/dbraw/zinc/97/90/76/719979076.db2.gz FRCLTJKXQKDQNU-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153335 719979079 /nfs/dbraw/zinc/97/90/79/719979079.db2.gz FRCLTJKXQKDQNU-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153335 719979082 /nfs/dbraw/zinc/97/90/82/719979082.db2.gz FRCLTJKXQKDQNU-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153335 719979085 /nfs/dbraw/zinc/97/90/85/719979085.db2.gz FRCLTJKXQKDQNU-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(C)C[NH+]1CCOC2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000949526170 720140379 /nfs/dbraw/zinc/14/03/79/720140379.db2.gz HPADNCBHAGTAEE-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526170 720140381 /nfs/dbraw/zinc/14/03/81/720140381.db2.gz HPADNCBHAGTAEE-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCOC2(CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC000949526170 720140382 /nfs/dbraw/zinc/14/03/82/720140382.db2.gz HPADNCBHAGTAEE-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000969705008 720257504 /nfs/dbraw/zinc/25/75/04/720257504.db2.gz JVHJHXGXZAGTIK-KGLIPLIRSA-N 2 1 315.845 1.039 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000969829153 720313950 /nfs/dbraw/zinc/31/39/50/720313950.db2.gz AFGOYIMASJSYAS-YJBOKZPZSA-N 2 1 317.477 1.853 20 30 DDEDMP Cc1[nH+]c(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)ccc1CC#N ZINC001164733485 720526729 /nfs/dbraw/zinc/52/67/29/720526729.db2.gz KNDUULJTRITCFL-HNNXBMFYSA-N 2 1 324.432 1.851 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000969956954 720575564 /nfs/dbraw/zinc/57/55/64/720575564.db2.gz BOPFJTZYBHHZES-IIAWOOMASA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000969956954 720575565 /nfs/dbraw/zinc/57/55/65/720575565.db2.gz BOPFJTZYBHHZES-IIAWOOMASA-N 2 1 309.454 1.108 20 30 DDEDMP CC#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970027531 720603872 /nfs/dbraw/zinc/60/38/72/720603872.db2.gz NZXHNBAMZBENFZ-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605454 733364296 /nfs/dbraw/zinc/36/42/96/733364296.db2.gz MCTJJZMWHZOXSM-FUHWJXTLSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2ccnc2)C1 ZINC001021644158 733397420 /nfs/dbraw/zinc/39/74/20/733397420.db2.gz DWLUDCQGAIMTAE-HZPDHXFCSA-N 2 1 300.406 1.219 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736651 733496281 /nfs/dbraw/zinc/49/62/81/733496281.db2.gz NUINTBZSWHZBJB-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001021736651 733496282 /nfs/dbraw/zinc/49/62/82/733496282.db2.gz NUINTBZSWHZBJB-HZPDHXFCSA-N 2 1 300.406 1.138 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737061 733497488 /nfs/dbraw/zinc/49/74/88/733497488.db2.gz QOLKGUYQBQXTDL-IRXDYDNUSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001041832451 733512418 /nfs/dbraw/zinc/51/24/18/733512418.db2.gz YXJQPYNUBHUZOW-GOSISDBHSA-N 2 1 305.466 1.973 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083213586 733531920 /nfs/dbraw/zinc/53/19/20/733531920.db2.gz HPFSINHVAIKNDP-DLBZAZTESA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001167459240 733629819 /nfs/dbraw/zinc/62/98/19/733629819.db2.gz YTLSFYXSZMLCRN-UHFFFAOYSA-N 2 1 323.481 1.551 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001022437860 734536252 /nfs/dbraw/zinc/53/62/52/734536252.db2.gz ZJQMOQKUHZTHOS-CALCHBBNSA-N 2 1 323.400 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929319 738824780 /nfs/dbraw/zinc/82/47/80/738824780.db2.gz DMRANRFXGKFODK-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001027929319 738824782 /nfs/dbraw/zinc/82/47/82/738824782.db2.gz DMRANRFXGKFODK-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001027929319 738824783 /nfs/dbraw/zinc/82/47/83/738824783.db2.gz DMRANRFXGKFODK-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001027929319 738824787 /nfs/dbraw/zinc/82/47/87/738824787.db2.gz DMRANRFXGKFODK-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)C1 ZINC001121250558 782425480 /nfs/dbraw/zinc/42/54/80/782425480.db2.gz FYOCGAXDFMOCJT-RFSHTEQGSA-N 2 1 313.445 1.124 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CCC[N@H+]3CC#C)C2)C1 ZINC001121250558 782425486 /nfs/dbraw/zinc/42/54/86/782425486.db2.gz FYOCGAXDFMOCJT-RFSHTEQGSA-N 2 1 313.445 1.124 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023379596 735204110 /nfs/dbraw/zinc/20/41/10/735204110.db2.gz LCUDWUUBDMVZSF-RBSFLKMASA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023379596 735204111 /nfs/dbraw/zinc/20/41/11/735204111.db2.gz LCUDWUUBDMVZSF-RBSFLKMASA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023379596 735204112 /nfs/dbraw/zinc/20/41/12/735204112.db2.gz LCUDWUUBDMVZSF-RBSFLKMASA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001023379596 735204113 /nfs/dbraw/zinc/20/41/13/735204113.db2.gz LCUDWUUBDMVZSF-RBSFLKMASA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001023402314 735211060 /nfs/dbraw/zinc/21/10/60/735211060.db2.gz KBKDLPCSJONEBD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402314 735211063 /nfs/dbraw/zinc/21/10/63/735211063.db2.gz KBKDLPCSJONEBD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001023402314 735211067 /nfs/dbraw/zinc/21/10/67/735211067.db2.gz KBKDLPCSJONEBD-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098584566 735652946 /nfs/dbraw/zinc/65/29/46/735652946.db2.gz ZZCZVJSOONKAOR-UHFFFAOYSA-N 2 1 320.437 1.135 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516572 735893869 /nfs/dbraw/zinc/89/38/69/735893869.db2.gz LJQDTDHJVQUHOP-HOTGVXAUSA-N 2 1 314.433 1.440 20 30 DDEDMP CC#CCN1CCCC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1 ZINC001024516572 735893876 /nfs/dbraw/zinc/89/38/76/735893876.db2.gz LJQDTDHJVQUHOP-HOTGVXAUSA-N 2 1 314.433 1.440 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589220 736438880 /nfs/dbraw/zinc/43/88/80/736438880.db2.gz VLCRGELCDBKVIH-VSZNYVQBSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001025472178 736705353 /nfs/dbraw/zinc/70/53/53/736705353.db2.gz NWBKIJXINOQJGU-HOCLYGCPSA-N 2 1 310.401 1.798 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC001025630751 736797655 /nfs/dbraw/zinc/79/76/55/736797655.db2.gz VMOBUBIKZBIDHZ-DOTOQJQBSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)C)C1 ZINC001027446796 738301795 /nfs/dbraw/zinc/30/17/95/738301795.db2.gz SCBRXCGLJJBRCA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)C)C1 ZINC001027446796 738301797 /nfs/dbraw/zinc/30/17/97/738301797.db2.gz SCBRXCGLJJBRCA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(=C)C)C1 ZINC001027446796 738301799 /nfs/dbraw/zinc/30/17/99/738301799.db2.gz SCBRXCGLJJBRCA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(=C)C)C1 ZINC001027446796 738301803 /nfs/dbraw/zinc/30/18/03/738301803.db2.gz SCBRXCGLJJBRCA-SJORKVTESA-N 2 1 303.450 1.583 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001027546518 738392757 /nfs/dbraw/zinc/39/27/57/738392757.db2.gz PYIPDXQGLJOPCE-HNNXBMFYSA-N 2 1 303.406 1.511 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103860 739038145 /nfs/dbraw/zinc/03/81/45/739038145.db2.gz XKDXIUYUHBOPGA-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103860 739038148 /nfs/dbraw/zinc/03/81/48/739038148.db2.gz XKDXIUYUHBOPGA-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001115729559 751456430 /nfs/dbraw/zinc/45/64/30/751456430.db2.gz KMLBMXKDZCTQIK-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1CN(C)C ZINC001032592073 751466747 /nfs/dbraw/zinc/46/67/47/751466747.db2.gz FFACRLIXPMHJQC-GJZGRUSLSA-N 2 1 303.406 1.816 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001028571357 739664553 /nfs/dbraw/zinc/66/45/53/739664553.db2.gz AVQZBBUQMHTJRE-CYBMUJFWSA-N 2 1 305.447 1.495 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800128 740057682 /nfs/dbraw/zinc/05/76/82/740057682.db2.gz PDYRFRSTIJJOTA-HUUCEWRRSA-N 2 1 302.422 1.378 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001028800128 740057685 /nfs/dbraw/zinc/05/76/85/740057685.db2.gz PDYRFRSTIJJOTA-HUUCEWRRSA-N 2 1 302.422 1.378 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1CC ZINC001037868620 751520488 /nfs/dbraw/zinc/52/04/88/751520488.db2.gz BUJSRSSOGDPSGB-UKRRQHHQSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029108677 740357761 /nfs/dbraw/zinc/35/77/61/740357761.db2.gz NQCUTTHIWWGLET-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]C(C)C)CC1 ZINC001029108677 740357763 /nfs/dbraw/zinc/35/77/63/740357763.db2.gz NQCUTTHIWWGLET-WBVHZDCISA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1CC ZINC001087696838 740712025 /nfs/dbraw/zinc/71/20/25/740712025.db2.gz PEWVMYODEBBSPD-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696838 740712027 /nfs/dbraw/zinc/71/20/27/740712027.db2.gz PEWVMYODEBBSPD-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1CC ZINC001087696838 740712029 /nfs/dbraw/zinc/71/20/29/740712029.db2.gz PEWVMYODEBBSPD-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840808 740780677 /nfs/dbraw/zinc/78/06/77/740780677.db2.gz OVBAPJMWEBEWGT-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H]1CC ZINC001087840808 740780679 /nfs/dbraw/zinc/78/06/79/740780679.db2.gz OVBAPJMWEBEWGT-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1CC ZINC001087840808 740780681 /nfs/dbraw/zinc/78/06/81/740780681.db2.gz OVBAPJMWEBEWGT-BBWFWOEESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H]1C ZINC001088616876 741978148 /nfs/dbraw/zinc/97/81/48/741978148.db2.gz PKWSPALJVGEJQP-IKGGRYGDSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088616876 741978150 /nfs/dbraw/zinc/97/81/50/741978150.db2.gz PKWSPALJVGEJQP-IKGGRYGDSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H]1C ZINC001088616876 741978152 /nfs/dbraw/zinc/97/81/52/741978152.db2.gz PKWSPALJVGEJQP-IKGGRYGDSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001105517856 742097301 /nfs/dbraw/zinc/09/73/01/742097301.db2.gz LLRLMEXATFSILF-DLBZAZTESA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)CC[N@@H+](C)CC)CC2)C1 ZINC001105731852 743767139 /nfs/dbraw/zinc/76/71/39/743767139.db2.gz UQBKKYOZFFSFSZ-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[NH+]1CC(OC2CCN(C(=O)CC[N@H+](C)CC)CC2)C1 ZINC001105731852 743767144 /nfs/dbraw/zinc/76/71/44/743767144.db2.gz UQBKKYOZFFSFSZ-UHFFFAOYSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCOC)C1 ZINC001183361415 743823378 /nfs/dbraw/zinc/82/33/78/743823378.db2.gz TZQOWRCIMXGOJP-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCCCOC)C1 ZINC001183361415 743823380 /nfs/dbraw/zinc/82/33/80/743823380.db2.gz TZQOWRCIMXGOJP-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001184692759 744081627 /nfs/dbraw/zinc/08/16/27/744081627.db2.gz JAPXZJJXASGIKG-UONOGXRCSA-N 2 1 320.437 1.610 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001185676088 744273710 /nfs/dbraw/zinc/27/37/10/744273710.db2.gz KWXLDMXIKRPSPE-CQSZACIVSA-N 2 1 318.421 1.651 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185723538 744277314 /nfs/dbraw/zinc/27/73/14/744277314.db2.gz MNDGOBMPJAXOLH-OAHLLOKOSA-N 2 1 311.470 1.357 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001185706889 744280663 /nfs/dbraw/zinc/28/06/63/744280663.db2.gz UCNHEJSEWPYWGK-GOSISDBHSA-N 2 1 315.461 1.928 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035837183 751933561 /nfs/dbraw/zinc/93/35/61/751933561.db2.gz QSWWLMBQBNRVPU-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137664 744628241 /nfs/dbraw/zinc/62/82/41/744628241.db2.gz OFQMUQNNYMPICJ-XYJFISCASA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137664 744628243 /nfs/dbraw/zinc/62/82/43/744628243.db2.gz OFQMUQNNYMPICJ-XYJFISCASA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137664 744628245 /nfs/dbraw/zinc/62/82/45/744628245.db2.gz OFQMUQNNYMPICJ-XYJFISCASA-N 2 1 321.465 1.395 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C(C)C)CCO3)CCC[C@H]12 ZINC000992137664 744628247 /nfs/dbraw/zinc/62/82/47/744628247.db2.gz OFQMUQNNYMPICJ-XYJFISCASA-N 2 1 321.465 1.395 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992145832 744633704 /nfs/dbraw/zinc/63/37/04/744633704.db2.gz RARNUURDZVPOMG-WMZOPIPTSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992155666 744640566 /nfs/dbraw/zinc/64/05/66/744640566.db2.gz ZCMDTJQOAQRSLG-ZIFCJYIRSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+](CCC)C3)CCC[C@H]12 ZINC000992155666 744640567 /nfs/dbraw/zinc/64/05/67/744640567.db2.gz ZCMDTJQOAQRSLG-ZIFCJYIRSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC000992409397 744861272 /nfs/dbraw/zinc/86/12/72/744861272.db2.gz MSFPIOJBKUVOPN-YJBOKZPZSA-N 2 1 301.434 1.219 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190167699 745137161 /nfs/dbraw/zinc/13/71/61/745137161.db2.gz HTEJVWCBXBSXPK-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001190490899 745243337 /nfs/dbraw/zinc/24/33/37/745243337.db2.gz ACDKIKHDDCYDGH-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190490899 745243340 /nfs/dbraw/zinc/24/33/40/745243340.db2.gz ACDKIKHDDCYDGH-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001190490899 745243344 /nfs/dbraw/zinc/24/33/44/745243344.db2.gz ACDKIKHDDCYDGH-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191028448 745408193 /nfs/dbraw/zinc/40/81/93/745408193.db2.gz AVPVATQPGJDINW-HNNXBMFYSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191028448 745408194 /nfs/dbraw/zinc/40/81/94/745408194.db2.gz AVPVATQPGJDINW-HNNXBMFYSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191028448 745408195 /nfs/dbraw/zinc/40/81/95/745408195.db2.gz AVPVATQPGJDINW-HNNXBMFYSA-N 2 1 311.470 1.452 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383198 745488828 /nfs/dbraw/zinc/48/88/28/745488828.db2.gz RBMCTRKIAQOKEC-HNNXBMFYSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001191383198 745488830 /nfs/dbraw/zinc/48/88/30/745488830.db2.gz RBMCTRKIAQOKEC-HNNXBMFYSA-N 2 1 314.433 1.318 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC=C)[C@H](C)C1 ZINC001106266499 745493969 /nfs/dbraw/zinc/49/39/69/745493969.db2.gz NEBOCFIOGPTKTJ-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCC=C)[C@H](C)C1 ZINC001106266499 745493972 /nfs/dbraw/zinc/49/39/72/745493972.db2.gz NEBOCFIOGPTKTJ-KURKYZTESA-N 2 1 317.477 1.734 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191544123 745538668 /nfs/dbraw/zinc/53/86/68/745538668.db2.gz ZEDHIEIGOHMNCU-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191923122 745646270 /nfs/dbraw/zinc/64/62/70/745646270.db2.gz QWWDFOCCFKASPQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923122 745646271 /nfs/dbraw/zinc/64/62/71/745646271.db2.gz QWWDFOCCFKASPQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001191923122 745646275 /nfs/dbraw/zinc/64/62/75/745646275.db2.gz QWWDFOCCFKASPQ-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192849260 745915693 /nfs/dbraw/zinc/91/56/93/745915693.db2.gz ZRXDLTSPUUMZSF-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001194026141 746256060 /nfs/dbraw/zinc/25/60/60/746256060.db2.gz BPGXWFPJEJBIBU-CVEARBPZSA-N 2 1 309.454 1.064 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993685822 746275807 /nfs/dbraw/zinc/27/58/07/746275807.db2.gz SFDAGFUMZRELPS-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCn3ccnc3C2)CC1 ZINC001196331356 746834079 /nfs/dbraw/zinc/83/40/79/746834079.db2.gz APCCXIUMRONXPV-INIZCTEOSA-N 2 1 316.449 1.946 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001197546232 747197175 /nfs/dbraw/zinc/19/71/75/747197175.db2.gz XLTKKGPJEXWNQJ-UHFFFAOYSA-N 2 1 323.481 1.455 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001077553549 747262694 /nfs/dbraw/zinc/26/26/94/747262694.db2.gz NPCHNZORRYEOPS-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553549 747262698 /nfs/dbraw/zinc/26/26/98/747262698.db2.gz NPCHNZORRYEOPS-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001077553549 747262701 /nfs/dbraw/zinc/26/27/01/747262701.db2.gz NPCHNZORRYEOPS-BRWVUGGUSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001198190954 747415130 /nfs/dbraw/zinc/41/51/30/747415130.db2.gz YLDPJSPTXUOSEE-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001198190954 747415120 /nfs/dbraw/zinc/41/51/20/747415120.db2.gz YLDPJSPTXUOSEE-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001198190954 747415124 /nfs/dbraw/zinc/41/51/24/747415124.db2.gz YLDPJSPTXUOSEE-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001198190954 747415131 /nfs/dbraw/zinc/41/51/31/747415131.db2.gz YLDPJSPTXUOSEE-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001089642934 747541423 /nfs/dbraw/zinc/54/14/23/747541423.db2.gz QKPOISKRTCMYML-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642934 747541424 /nfs/dbraw/zinc/54/14/24/747541424.db2.gz QKPOISKRTCMYML-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001089642934 747541426 /nfs/dbraw/zinc/54/14/26/747541426.db2.gz QKPOISKRTCMYML-BZUAXINKSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085403 748223392 /nfs/dbraw/zinc/22/33/92/748223392.db2.gz UJSPTBHLYFOHSQ-OAHLLOKOSA-N 2 1 319.453 1.167 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CCCO1 ZINC001200687404 748312547 /nfs/dbraw/zinc/31/25/47/748312547.db2.gz APOANYSWQRLARB-HUUCEWRRSA-N 2 1 318.421 1.154 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CCCO1 ZINC001200687402 748312599 /nfs/dbraw/zinc/31/25/99/748312599.db2.gz APOANYSWQRLARB-CABCVRRESA-N 2 1 318.421 1.154 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200721186 748328936 /nfs/dbraw/zinc/32/89/36/748328936.db2.gz IVBZCNQUVQIHTC-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC001200805703 748351127 /nfs/dbraw/zinc/35/11/27/748351127.db2.gz MCRCMBGSXPWSOP-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1 ZINC001004459740 748451257 /nfs/dbraw/zinc/45/12/57/748451257.db2.gz WKJUXGAYHKFNLM-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001004459740 748451261 /nfs/dbraw/zinc/45/12/61/748451261.db2.gz WKJUXGAYHKFNLM-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC)CC1 ZINC001004459740 748451263 /nfs/dbraw/zinc/45/12/63/748451263.db2.gz WKJUXGAYHKFNLM-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CC)CC1 ZINC001004459740 748451267 /nfs/dbraw/zinc/45/12/67/748451267.db2.gz WKJUXGAYHKFNLM-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CCCO1 ZINC001201402098 748498368 /nfs/dbraw/zinc/49/83/68/748498368.db2.gz APICXKOEAOWGSW-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCO1 ZINC001201558785 748544714 /nfs/dbraw/zinc/54/47/14/748544714.db2.gz PGQFJTKZPIQOGU-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 ZINC001033219550 748969143 /nfs/dbraw/zinc/96/91/43/748969143.db2.gz IQKUHEYIAHLNTH-CYBMUJFWSA-N 2 1 306.410 1.459 20 30 DDEDMP C=C(C)CN1CC[C@@H](N(C)C(=O)c2cc(CN(C)C)on2)C1 ZINC001033219550 748969149 /nfs/dbraw/zinc/96/91/49/748969149.db2.gz IQKUHEYIAHLNTH-CYBMUJFWSA-N 2 1 306.410 1.459 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001033269755 749098566 /nfs/dbraw/zinc/09/85/66/749098566.db2.gz VOKMSDPQVHGISJ-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269755 749098569 /nfs/dbraw/zinc/09/85/69/749098569.db2.gz VOKMSDPQVHGISJ-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269755 749098578 /nfs/dbraw/zinc/09/85/78/749098578.db2.gz VOKMSDPQVHGISJ-HNNXBMFYSA-N 2 1 316.449 1.871 20 30 DDEDMP COCC#CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001202526484 749200407 /nfs/dbraw/zinc/20/04/07/749200407.db2.gz IZDAZQAMZYWQGF-UHFFFAOYSA-N 2 1 323.481 1.195 20 30 DDEDMP CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001153814626 749283175 /nfs/dbraw/zinc/28/31/75/749283175.db2.gz OQBNBTAWVFNJHB-SJORKVTESA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001153814626 749283181 /nfs/dbraw/zinc/28/31/81/749283181.db2.gz OQBNBTAWVFNJHB-SJORKVTESA-N 2 1 307.482 1.814 20 30 DDEDMP CC#CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001153814626 749283187 /nfs/dbraw/zinc/28/31/87/749283187.db2.gz OQBNBTAWVFNJHB-SJORKVTESA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](O)C1 ZINC001100123725 761953478 /nfs/dbraw/zinc/95/34/78/761953478.db2.gz AYUQXZLDWNNUEJ-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)CC1(C)C ZINC000996374577 749543075 /nfs/dbraw/zinc/54/30/75/749543075.db2.gz KGGRPILPGAEWMU-CQSZACIVSA-N 2 1 302.422 1.466 20 30 DDEDMP C=CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039380034 761979275 /nfs/dbraw/zinc/97/92/75/761979275.db2.gz HMAZCWQAEBUPFD-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039380034 761979284 /nfs/dbraw/zinc/97/92/84/761979284.db2.gz HMAZCWQAEBUPFD-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039380034 761979290 /nfs/dbraw/zinc/97/92/90/761979290.db2.gz HMAZCWQAEBUPFD-WCXIOVBPSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438850 749959585 /nfs/dbraw/zinc/95/95/85/749959585.db2.gz KWDCLKXOBFDUQR-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438850 749959592 /nfs/dbraw/zinc/95/95/92/749959592.db2.gz KWDCLKXOBFDUQR-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438850 749959600 /nfs/dbraw/zinc/95/96/00/749959600.db2.gz KWDCLKXOBFDUQR-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444322 749965542 /nfs/dbraw/zinc/96/55/42/749965542.db2.gz AEOZTSLORNZSBX-ZIFCJYIRSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107538631 750103011 /nfs/dbraw/zinc/10/30/11/750103011.db2.gz QCDJYBUFJZJDIU-JFIYKMOQSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932310 750144861 /nfs/dbraw/zinc/14/48/61/750144861.db2.gz LEVJJGJBHMPSRW-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932310 750144865 /nfs/dbraw/zinc/14/48/65/750144865.db2.gz LEVJJGJBHMPSRW-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932310 750144869 /nfs/dbraw/zinc/14/48/69/750144869.db2.gz LEVJJGJBHMPSRW-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932310 750144877 /nfs/dbraw/zinc/14/48/77/750144877.db2.gz LEVJJGJBHMPSRW-HOTGVXAUSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000996824131 750181213 /nfs/dbraw/zinc/18/12/13/750181213.db2.gz ZOBSNDMYTVTQCB-BFHRDPOASA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034011726 750249384 /nfs/dbraw/zinc/24/93/84/750249384.db2.gz KRAKDOCXPKVXBW-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428689 762024524 /nfs/dbraw/zinc/02/45/24/762024524.db2.gz ZZBFJWWWCMXTJJ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001034003326 750264894 /nfs/dbraw/zinc/26/48/94/750264894.db2.gz ADUFVJGFBLYKIG-QGZVFWFLSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111154020 750394413 /nfs/dbraw/zinc/39/44/13/750394413.db2.gz XHXMFZSLWDONCA-ZACQAIPSSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCOCC1)C2 ZINC001111154020 750394420 /nfs/dbraw/zinc/39/44/20/750394420.db2.gz XHXMFZSLWDONCA-ZACQAIPSSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489363 750496513 /nfs/dbraw/zinc/49/65/13/750496513.db2.gz BSOQJKYYKZLEIV-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001034489363 750496516 /nfs/dbraw/zinc/49/65/16/750496516.db2.gz BSOQJKYYKZLEIV-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCCN2C)C1 ZINC001111658497 750685850 /nfs/dbraw/zinc/68/58/50/750685850.db2.gz CGZNCFNRIVWQCL-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658497 750685854 /nfs/dbraw/zinc/68/58/54/750685854.db2.gz CGZNCFNRIVWQCL-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658497 750685857 /nfs/dbraw/zinc/68/58/57/750685857.db2.gz CGZNCFNRIVWQCL-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658497 750685859 /nfs/dbraw/zinc/68/58/59/750685859.db2.gz CGZNCFNRIVWQCL-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658497 750685863 /nfs/dbraw/zinc/68/58/63/750685863.db2.gz CGZNCFNRIVWQCL-BQFCYCMXSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089907426 750819479 /nfs/dbraw/zinc/81/94/79/750819479.db2.gz MAMBLGRHZCLWFF-MLHJIOFPSA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001114606493 750830099 /nfs/dbraw/zinc/83/00/99/750830099.db2.gz GQKRYYYNMJCVBE-VSZNYVQBSA-N 2 1 317.477 1.873 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000997725129 751240348 /nfs/dbraw/zinc/24/03/48/751240348.db2.gz AVEPUAYJTSWGOV-WMZOPIPTSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035227062 751305433 /nfs/dbraw/zinc/30/54/33/751305433.db2.gz NMCDIQSCBGNCKE-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227062 751305436 /nfs/dbraw/zinc/30/54/36/751305436.db2.gz NMCDIQSCBGNCKE-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227062 751305438 /nfs/dbraw/zinc/30/54/38/751305438.db2.gz NMCDIQSCBGNCKE-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)CC2 ZINC001035228336 751307580 /nfs/dbraw/zinc/30/75/80/751307580.db2.gz JHGYGAYFBLIPQT-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035228336 751307586 /nfs/dbraw/zinc/30/75/86/751307586.db2.gz JHGYGAYFBLIPQT-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001035228336 751307592 /nfs/dbraw/zinc/30/75/92/751307592.db2.gz JHGYGAYFBLIPQT-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997871917 751331302 /nfs/dbraw/zinc/33/13/02/751331302.db2.gz RMPPFNFESBAFNU-DOTOQJQBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001000776558 762188861 /nfs/dbraw/zinc/18/88/61/762188861.db2.gz LCFNROCVMAULDZ-GOSISDBHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001000776558 762188865 /nfs/dbraw/zinc/18/88/65/762188865.db2.gz LCFNROCVMAULDZ-GOSISDBHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001000776558 762188869 /nfs/dbraw/zinc/18/88/69/762188869.db2.gz LCFNROCVMAULDZ-GOSISDBHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001922786 754582109 /nfs/dbraw/zinc/58/21/09/754582109.db2.gz BPDDTDKCGQZMLZ-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080344501 755859835 /nfs/dbraw/zinc/85/98/35/755859835.db2.gz DVAOYMVAHQITEU-UKRRQHHQSA-N 2 1 305.422 1.967 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080344501 755859842 /nfs/dbraw/zinc/85/98/42/755859842.db2.gz DVAOYMVAHQITEU-UKRRQHHQSA-N 2 1 305.422 1.967 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082271914 756708299 /nfs/dbraw/zinc/70/82/99/756708299.db2.gz ZUJGMPORCNLKCT-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H](OC)C1 ZINC001082271914 756708300 /nfs/dbraw/zinc/70/83/00/756708300.db2.gz ZUJGMPORCNLKCT-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001082525302 756844751 /nfs/dbraw/zinc/84/47/51/756844751.db2.gz IUYVRAUHAOZFHA-WQVCFCJDSA-N 2 1 317.437 1.413 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001082525302 756844760 /nfs/dbraw/zinc/84/47/60/756844760.db2.gz IUYVRAUHAOZFHA-WQVCFCJDSA-N 2 1 317.437 1.413 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001082558260 756852607 /nfs/dbraw/zinc/85/26/07/756852607.db2.gz HOPHZVTZBFNBRK-DJIMGWMZSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001040396246 762523662 /nfs/dbraw/zinc/52/36/62/762523662.db2.gz UFHZTBCUCPHBOZ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396246 762523663 /nfs/dbraw/zinc/52/36/63/762523663.db2.gz UFHZTBCUCPHBOZ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC[C@@H]3C)C2)C1 ZINC001040396246 762523666 /nfs/dbraw/zinc/52/36/66/762523666.db2.gz UFHZTBCUCPHBOZ-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001016792968 757357900 /nfs/dbraw/zinc/35/79/00/757357900.db2.gz YSVRSMKENGIOSV-JYJNAYRXSA-N 2 1 303.450 1.321 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422293 757542014 /nfs/dbraw/zinc/54/20/14/757542014.db2.gz TVWMNQJUJFAPJL-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422293 757542021 /nfs/dbraw/zinc/54/20/21/757542021.db2.gz TVWMNQJUJFAPJL-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422293 757542028 /nfs/dbraw/zinc/54/20/28/757542028.db2.gz TVWMNQJUJFAPJL-IXDOHACOSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084405248 757561143 /nfs/dbraw/zinc/56/11/43/757561143.db2.gz DZJWIBIILVYKKA-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405248 757561146 /nfs/dbraw/zinc/56/11/46/757561146.db2.gz DZJWIBIILVYKKA-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405248 757561150 /nfs/dbraw/zinc/56/11/50/757561150.db2.gz DZJWIBIILVYKKA-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405248 757561153 /nfs/dbraw/zinc/56/11/53/757561153.db2.gz DZJWIBIILVYKKA-BRWVUGGUSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492759 762559559 /nfs/dbraw/zinc/55/95/59/762559559.db2.gz GCZGEDZFUORKLF-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492759 762559564 /nfs/dbraw/zinc/55/95/64/762559564.db2.gz GCZGEDZFUORKLF-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492759 762559569 /nfs/dbraw/zinc/55/95/69/762559569.db2.gz GCZGEDZFUORKLF-HKUYNNGSSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C[NH+](C)C)CC1 ZINC001052663831 757621526 /nfs/dbraw/zinc/62/15/26/757621526.db2.gz ZZEUFGFDQJZODW-OAHLLOKOSA-N 2 1 303.406 1.559 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572185 757670229 /nfs/dbraw/zinc/67/02/29/757670229.db2.gz ZUEWQYLLXROVEW-HZPDHXFCSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757737 757731119 /nfs/dbraw/zinc/73/11/19/757731119.db2.gz NEBGFJKITANBIR-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001052757737 757731127 /nfs/dbraw/zinc/73/11/27/757731127.db2.gz NEBGFJKITANBIR-HNNXBMFYSA-N 2 1 302.422 1.610 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001040529706 762578686 /nfs/dbraw/zinc/57/86/86/762578686.db2.gz REBRMDSKEQSNET-GOSISDBHSA-N 2 1 303.450 1.420 20 30 DDEDMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001040545929 762587797 /nfs/dbraw/zinc/58/77/97/762587797.db2.gz YPVSDXRQNCUMCC-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545929 762587801 /nfs/dbraw/zinc/58/78/01/762587801.db2.gz YPVSDXRQNCUMCC-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001040545929 762587806 /nfs/dbraw/zinc/58/78/06/762587806.db2.gz YPVSDXRQNCUMCC-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853192 757982977 /nfs/dbraw/zinc/98/29/77/757982977.db2.gz SWNJLCFEYLYKMZ-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853192 757982984 /nfs/dbraw/zinc/98/29/84/757982984.db2.gz SWNJLCFEYLYKMZ-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001017659149 758128187 /nfs/dbraw/zinc/12/81/87/758128187.db2.gz PIHRWVJSZIPOPB-MWDXBVQZSA-N 2 1 303.450 1.865 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001017704596 758168289 /nfs/dbraw/zinc/16/82/89/758168289.db2.gz ZGTBUJRNPHLARR-IYBDPMFKSA-N 2 1 303.450 1.866 20 30 DDEDMP C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1CN(C)C ZINC001017855715 758300482 /nfs/dbraw/zinc/30/04/82/758300482.db2.gz DLYQCXMJVLTBDR-GASCZTMLSA-N 2 1 303.406 1.816 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001018629017 759047156 /nfs/dbraw/zinc/04/71/56/759047156.db2.gz XKGDDXCDNADJKQ-WFASDCNBSA-N 2 1 318.446 1.404 20 30 DDEDMP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001085330923 759269613 /nfs/dbraw/zinc/26/96/13/759269613.db2.gz JSSPWOGYPFMJLL-DJIMGWMZSA-N 2 1 316.449 1.957 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001253145 762699553 /nfs/dbraw/zinc/69/95/53/762699553.db2.gz QSOSPYUJBVCXNR-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001253145 762699555 /nfs/dbraw/zinc/69/95/55/762699555.db2.gz QSOSPYUJBVCXNR-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001253145 762699571 /nfs/dbraw/zinc/69/95/71/762699571.db2.gz QSOSPYUJBVCXNR-ZWKOTPCHSA-N 2 1 315.461 1.775 20 30 DDEDMP N#C[C@H](Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1)C(N)=O ZINC001170538077 767881451 /nfs/dbraw/zinc/88/14/51/767881451.db2.gz YLYMHWCQISYUPG-OCCSQVGLSA-N 2 1 312.377 1.140 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986714 760657079 /nfs/dbraw/zinc/65/70/79/760657079.db2.gz LKOKZVSEWUUBEI-QGZVFWFLSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085986714 760657083 /nfs/dbraw/zinc/65/70/83/760657083.db2.gz LKOKZVSEWUUBEI-QGZVFWFLSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863059 767992750 /nfs/dbraw/zinc/99/27/50/767992750.db2.gz BQJNZXHFRHQGHR-SFHVURJKSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001046863059 767992753 /nfs/dbraw/zinc/99/27/53/767992753.db2.gz BQJNZXHFRHQGHR-SFHVURJKSA-N 2 1 317.433 1.949 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001000103250 761511187 /nfs/dbraw/zinc/51/11/87/761511187.db2.gz XISJDOHRTJXZMF-MRXNPFEDSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001086386932 761529981 /nfs/dbraw/zinc/52/99/81/761529981.db2.gz LSZYMTZZSXYLRI-BFYDXBDKSA-N 2 1 321.465 1.300 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001086457365 761641265 /nfs/dbraw/zinc/64/12/65/761641265.db2.gz VBXGXYTVGRVLQA-AJNGGQMLSA-N 2 1 313.873 1.954 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039180657 761805776 /nfs/dbraw/zinc/80/57/76/761805776.db2.gz SIGPZVWNWAHJBZ-QGZVFWFLSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001108704978 762860051 /nfs/dbraw/zinc/86/00/51/762860051.db2.gz WOMFDNFMIMOILT-ZOBUZTSGSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041357817 762978214 /nfs/dbraw/zinc/97/82/14/762978214.db2.gz IZLRGIKDRICZIR-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357817 762978220 /nfs/dbraw/zinc/97/82/20/762978220.db2.gz IZLRGIKDRICZIR-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041357817 762978226 /nfs/dbraw/zinc/97/82/26/762978226.db2.gz IZLRGIKDRICZIR-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)C1 ZINC001041378046 762989334 /nfs/dbraw/zinc/98/93/34/762989334.db2.gz INXDQPVVRCHXFN-IIDMSEBBSA-N 2 1 312.417 1.461 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)C1 ZINC001041378046 762989338 /nfs/dbraw/zinc/98/93/38/762989338.db2.gz INXDQPVVRCHXFN-IIDMSEBBSA-N 2 1 312.417 1.461 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041724602 763257420 /nfs/dbraw/zinc/25/74/20/763257420.db2.gz BRWXSAWNFRPDDX-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=C)C)CC2 ZINC001050550960 763744717 /nfs/dbraw/zinc/74/47/17/763744717.db2.gz PPWUGUPGBLEQRS-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=C)C)CC2 ZINC001050550960 763744723 /nfs/dbraw/zinc/74/47/23/763744723.db2.gz PPWUGUPGBLEQRS-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109526273 763788965 /nfs/dbraw/zinc/78/89/65/763788965.db2.gz XSZGUBHZGWHHKW-PMPSAXMXSA-N 2 1 318.421 1.116 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109526273 763788970 /nfs/dbraw/zinc/78/89/70/763788970.db2.gz XSZGUBHZGWHHKW-PMPSAXMXSA-N 2 1 318.421 1.116 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235230 763796708 /nfs/dbraw/zinc/79/67/08/763796708.db2.gz TXMHBQGBDBPLQW-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235230 763796712 /nfs/dbraw/zinc/79/67/12/763796712.db2.gz TXMHBQGBDBPLQW-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001042235230 763796716 /nfs/dbraw/zinc/79/67/16/763796716.db2.gz TXMHBQGBDBPLQW-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519937 768165912 /nfs/dbraw/zinc/16/59/12/768165912.db2.gz OKPFOGFKRUXSRT-UPTPFMHGSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252581 763821908 /nfs/dbraw/zinc/82/19/08/763821908.db2.gz KWVOMQAXBIZKPI-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]21 ZINC001042252581 763821916 /nfs/dbraw/zinc/82/19/16/763821916.db2.gz KWVOMQAXBIZKPI-JKSUJKDBSA-N 2 1 314.433 1.563 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001042287211 763862890 /nfs/dbraw/zinc/86/28/90/763862890.db2.gz HFGDTYWYACGTGP-IRXDYDNUSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H](C)O2 ZINC001131681929 768259399 /nfs/dbraw/zinc/25/93/99/768259399.db2.gz KIILGWLWQARHKW-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC2CC2)CC1 ZINC001098462723 765108599 /nfs/dbraw/zinc/10/85/99/765108599.db2.gz JUGLYGZLACXKOR-KURKYZTESA-N 2 1 315.461 1.463 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131693120 768275912 /nfs/dbraw/zinc/27/59/12/768275912.db2.gz NBIVZCUBXWFSHI-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131693120 768275917 /nfs/dbraw/zinc/27/59/17/768275917.db2.gz NBIVZCUBXWFSHI-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131693120 768275922 /nfs/dbraw/zinc/27/59/22/768275922.db2.gz NBIVZCUBXWFSHI-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131692990 768276218 /nfs/dbraw/zinc/27/62/18/768276218.db2.gz MJICCLCOOKDNNO-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692990 768276220 /nfs/dbraw/zinc/27/62/20/768276220.db2.gz MJICCLCOOKDNNO-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692990 768276222 /nfs/dbraw/zinc/27/62/22/768276222.db2.gz MJICCLCOOKDNNO-SJLPKXTDSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@@H](C)C1 ZINC001044684830 765751572 /nfs/dbraw/zinc/75/15/72/765751572.db2.gz KUPGJOSZIXUBAX-LSDHHAIUSA-N 2 1 314.433 1.364 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052438486 765828087 /nfs/dbraw/zinc/82/80/87/765828087.db2.gz UDDSPIZGIHDCKZ-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052438486 765828097 /nfs/dbraw/zinc/82/80/97/765828097.db2.gz UDDSPIZGIHDCKZ-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052438486 765828104 /nfs/dbraw/zinc/82/81/04/765828104.db2.gz UDDSPIZGIHDCKZ-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC2CC2)CC1 ZINC001052456705 765846662 /nfs/dbraw/zinc/84/66/62/765846662.db2.gz IYIIDTBQSIQCJR-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC2CC2)CC1 ZINC001052456705 765846669 /nfs/dbraw/zinc/84/66/69/765846669.db2.gz IYIIDTBQSIQCJR-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001052456705 765846671 /nfs/dbraw/zinc/84/66/71/765846671.db2.gz IYIIDTBQSIQCJR-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1 ZINC001052456705 765846679 /nfs/dbraw/zinc/84/66/79/765846679.db2.gz IYIIDTBQSIQCJR-IRXDYDNUSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052513894 765907164 /nfs/dbraw/zinc/90/71/64/765907164.db2.gz KITQHSZFLUAKGA-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001052513894 765907168 /nfs/dbraw/zinc/90/71/68/765907168.db2.gz KITQHSZFLUAKGA-CQSZACIVSA-N 2 1 318.421 1.344 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001045967327 766746278 /nfs/dbraw/zinc/74/62/78/766746278.db2.gz RFYGECJEBMHGEU-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045967327 766746283 /nfs/dbraw/zinc/74/62/83/766746283.db2.gz RFYGECJEBMHGEU-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001045967327 766746288 /nfs/dbraw/zinc/74/62/88/766746288.db2.gz RFYGECJEBMHGEU-IEBWSBKVSA-N 2 1 317.477 1.666 20 30 DDEDMP N#Cc1cccc(C[NH2+]CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)c1 ZINC001129418915 766877265 /nfs/dbraw/zinc/87/72/65/766877265.db2.gz YCTHLQRPURJNNA-INIZCTEOSA-N 2 1 323.400 1.538 20 30 DDEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1ccccc1C#N ZINC001129856408 767018518 /nfs/dbraw/zinc/01/85/18/767018518.db2.gz QGZGZGARCLUDDB-QGZVFWFLSA-N 2 1 314.433 1.638 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001046329925 767428542 /nfs/dbraw/zinc/42/85/42/767428542.db2.gz CTNNGKFKRHCHOJ-NVXWUHKLSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CCN1CC[C@@](C)(NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001046329925 767428544 /nfs/dbraw/zinc/42/85/44/767428544.db2.gz CTNNGKFKRHCHOJ-NVXWUHKLSA-N 2 1 315.421 1.004 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001096104657 767641669 /nfs/dbraw/zinc/64/16/69/767641669.db2.gz OLZOCIRHCFGYAB-IKGGRYGDSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001046567500 767695197 /nfs/dbraw/zinc/69/51/97/767695197.db2.gz KEOKAFVTCJJVEU-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001046567500 767695199 /nfs/dbraw/zinc/69/51/99/767695199.db2.gz KEOKAFVTCJJVEU-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567500 767695203 /nfs/dbraw/zinc/69/52/03/767695203.db2.gz KEOKAFVTCJJVEU-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001046567500 767695205 /nfs/dbraw/zinc/69/52/05/767695205.db2.gz KEOKAFVTCJJVEU-FUHWJXTLSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132358548 768784816 /nfs/dbraw/zinc/78/48/16/768784816.db2.gz FRTVIRSYYIRGTQ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)CC[C@@H]1C ZINC001132358548 768784818 /nfs/dbraw/zinc/78/48/18/768784818.db2.gz FRTVIRSYYIRGTQ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406774 768809634 /nfs/dbraw/zinc/80/96/34/768809634.db2.gz OWZPJLZQUBTLIF-LSDHHAIUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)CC[C@H]1C ZINC001132409826 768822556 /nfs/dbraw/zinc/82/25/56/768822556.db2.gz FRTLBDQTQDSAPD-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409826 768822568 /nfs/dbraw/zinc/82/25/68/768822568.db2.gz FRTLBDQTQDSAPD-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)CC[C@H]1C ZINC001132409826 768822580 /nfs/dbraw/zinc/82/25/80/768822580.db2.gz FRTLBDQTQDSAPD-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437392 768862981 /nfs/dbraw/zinc/86/29/81/768862981.db2.gz TUUGWYUQRCLUPA-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP COCC#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132437392 768862991 /nfs/dbraw/zinc/86/29/91/768862991.db2.gz TUUGWYUQRCLUPA-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001071042931 768908161 /nfs/dbraw/zinc/90/81/61/768908161.db2.gz OQCNWAGPELYKSV-IKGGRYGDSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@@H]1C ZINC001132976727 769378687 /nfs/dbraw/zinc/37/86/87/769378687.db2.gz FSBZZIRKMRNHEZ-GOEBONIOSA-N 2 1 302.422 1.289 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C2 ZINC001048562043 769535620 /nfs/dbraw/zinc/53/56/20/769535620.db2.gz JDMSQXDNQMRGSN-SFFUCWETSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C2 ZINC001048562043 769535628 /nfs/dbraw/zinc/53/56/28/769535628.db2.gz JDMSQXDNQMRGSN-SFFUCWETSA-N 2 1 317.477 1.567 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C2 ZINC001048562043 769535638 /nfs/dbraw/zinc/53/56/38/769535638.db2.gz JDMSQXDNQMRGSN-SFFUCWETSA-N 2 1 317.477 1.567 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC#CCOC)C1 ZINC001133226517 769603143 /nfs/dbraw/zinc/60/31/43/769603143.db2.gz VGZVLLPTOAGHEP-IAGOWNOFSA-N 2 1 323.481 1.052 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@@H]1C ZINC001133314187 769703336 /nfs/dbraw/zinc/70/33/36/769703336.db2.gz MCVHVRUGVVFVKU-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627705 769744316 /nfs/dbraw/zinc/74/43/16/769744316.db2.gz JUNNZNMLMMKRMG-UKRRQHHQSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC[C@H]1C ZINC001071627705 769744322 /nfs/dbraw/zinc/74/43/22/769744322.db2.gz JUNNZNMLMMKRMG-UKRRQHHQSA-N 2 1 310.401 1.859 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C[C@H]2C1 ZINC001048888470 770056644 /nfs/dbraw/zinc/05/66/44/770056644.db2.gz QBEGKPXGDGSLPT-YVSFHVDLSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C[C@H]2C1 ZINC001048888470 770056653 /nfs/dbraw/zinc/05/66/53/770056653.db2.gz QBEGKPXGDGSLPT-YVSFHVDLSA-N 2 1 303.450 1.580 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)C[C@H]2C1 ZINC001048888470 770056662 /nfs/dbraw/zinc/05/66/62/770056662.db2.gz QBEGKPXGDGSLPT-YVSFHVDLSA-N 2 1 303.450 1.580 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)s2)C1 ZINC001133842199 770346730 /nfs/dbraw/zinc/34/67/30/770346730.db2.gz GPLDIMZCXUDCLA-LBPRGKRZSA-N 2 1 306.435 1.167 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001133866042 770382828 /nfs/dbraw/zinc/38/28/28/770382828.db2.gz GUPHAONWSPZHTO-IUODEOHRSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2C1 ZINC001049114839 770401365 /nfs/dbraw/zinc/40/13/65/770401365.db2.gz SLUXUVUTRQZGKJ-HDICACEKSA-N 2 1 311.429 1.385 20 30 DDEDMP C=CCCC[NH2+]CCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001133921440 770458643 /nfs/dbraw/zinc/45/86/43/770458643.db2.gz HWBGOOUVHNDJJZ-UHFFFAOYSA-N 2 1 303.450 1.833 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC=C)C2)CC1 ZINC001072099711 770541060 /nfs/dbraw/zinc/54/10/60/770541060.db2.gz WJMHRAZGRBPLTE-DOTOQJQBSA-N 2 1 303.450 1.487 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001111433240 770995860 /nfs/dbraw/zinc/99/58/60/770995860.db2.gz UODBRSCOKOZGAL-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001111433240 770995863 /nfs/dbraw/zinc/99/58/63/770995863.db2.gz UODBRSCOKOZGAL-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001111433240 770995869 /nfs/dbraw/zinc/99/58/69/770995869.db2.gz UODBRSCOKOZGAL-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](CC)CCO1)C2 ZINC001111433240 770995874 /nfs/dbraw/zinc/99/58/74/770995874.db2.gz UODBRSCOKOZGAL-WCXIOVBPSA-N 2 1 321.465 1.395 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001049663072 771063705 /nfs/dbraw/zinc/06/37/05/771063705.db2.gz KTPQNWJFFXZEPX-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001049663072 771063711 /nfs/dbraw/zinc/06/37/11/771063711.db2.gz KTPQNWJFFXZEPX-FGTMMUONSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671399 771070471 /nfs/dbraw/zinc/07/04/71/771070471.db2.gz LBGZIAJPRSDEGX-QAETUUGQSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671399 771070476 /nfs/dbraw/zinc/07/04/76/771070476.db2.gz LBGZIAJPRSDEGX-QAETUUGQSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671399 771070481 /nfs/dbraw/zinc/07/04/81/771070481.db2.gz LBGZIAJPRSDEGX-QAETUUGQSA-N 2 1 303.450 1.415 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671912 771071969 /nfs/dbraw/zinc/07/19/69/771071969.db2.gz OEBXQEDCXCXDJE-XLAORIBOSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001049671912 771071974 /nfs/dbraw/zinc/07/19/74/771071974.db2.gz OEBXQEDCXCXDJE-XLAORIBOSA-N 2 1 317.477 1.805 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC#CCOC ZINC001134773019 771167806 /nfs/dbraw/zinc/16/78/06/771167806.db2.gz JJSWXDQFWGQLFZ-HUUCEWRRSA-N 2 1 311.470 1.239 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001135468810 771526047 /nfs/dbraw/zinc/52/60/47/771526047.db2.gz TXZYXKIGTKFONZ-JKSUJKDBSA-N 2 1 323.481 1.241 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](O)C1 ZINC001090691506 772113441 /nfs/dbraw/zinc/11/34/41/772113441.db2.gz FULHDTHAOFJKPC-SJORKVTESA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)C[NH2+]C1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001091110125 772529881 /nfs/dbraw/zinc/52/98/81/772529881.db2.gz NNCBYPRIXNMLMS-UHFFFAOYSA-N 2 1 306.410 1.410 20 30 DDEDMP C=CCOCC[N@@H+]1CCC2(CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001147723993 773213374 /nfs/dbraw/zinc/21/33/74/773213374.db2.gz HDNWBYISJJCXOB-INIZCTEOSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCCC=C)C2 ZINC001147736715 773226068 /nfs/dbraw/zinc/22/60/68/773226068.db2.gz FSZPNNZYODNYIW-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCCC=C)C2 ZINC001147736715 773226072 /nfs/dbraw/zinc/22/60/72/773226072.db2.gz FSZPNNZYODNYIW-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC=C)C2 ZINC001147736715 773226076 /nfs/dbraw/zinc/22/60/76/773226076.db2.gz FSZPNNZYODNYIW-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC=C)C2 ZINC001147736715 773226080 /nfs/dbraw/zinc/22/60/80/773226080.db2.gz FSZPNNZYODNYIW-KRWDZBQOSA-N 2 1 315.461 1.585 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001073677426 773296473 /nfs/dbraw/zinc/29/64/73/773296473.db2.gz GJKBLRDUBVBSQJ-MRXNPFEDSA-N 2 1 321.465 1.398 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001148571178 773513431 /nfs/dbraw/zinc/51/34/31/773513431.db2.gz ZIDZZKRBJINMRY-UHFFFAOYSA-N 2 1 302.422 1.496 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013140 773920900 /nfs/dbraw/zinc/92/09/00/773920900.db2.gz IZYXUDSIYHJLHK-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013140 773920903 /nfs/dbraw/zinc/92/09/03/773920903.db2.gz IZYXUDSIYHJLHK-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@]2(C)C1 ZINC001092013140 773920906 /nfs/dbraw/zinc/92/09/06/773920906.db2.gz IZYXUDSIYHJLHK-JZXOWHBKSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092144076 773956935 /nfs/dbraw/zinc/95/69/35/773956935.db2.gz ONONAWPQFREHTJ-QAPCUYQASA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302081 774053201 /nfs/dbraw/zinc/05/32/01/774053201.db2.gz SAYXGBKOFUPFFK-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302081 774053204 /nfs/dbraw/zinc/05/32/04/774053204.db2.gz SAYXGBKOFUPFFK-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302081 774053208 /nfs/dbraw/zinc/05/32/08/774053208.db2.gz SAYXGBKOFUPFFK-NUJGCVRESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036738025 774432455 /nfs/dbraw/zinc/43/24/55/774432455.db2.gz ZSRNNUBVDBJPLW-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036738025 774432462 /nfs/dbraw/zinc/43/24/62/774432462.db2.gz ZSRNNUBVDBJPLW-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036738025 774432467 /nfs/dbraw/zinc/43/24/67/774432467.db2.gz ZSRNNUBVDBJPLW-RDJZCZTQSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098945662 774733191 /nfs/dbraw/zinc/73/31/91/774733191.db2.gz DSVQRSFOJPLKJS-RDJZCZTQSA-N 2 1 302.422 1.738 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001098945662 774733192 /nfs/dbraw/zinc/73/31/92/774733192.db2.gz DSVQRSFOJPLKJS-RDJZCZTQSA-N 2 1 302.422 1.738 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001099307209 774940841 /nfs/dbraw/zinc/94/08/41/774940841.db2.gz IUSSJJFPVDCTNJ-YNEHKIRRSA-N 2 1 319.371 1.493 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150445 775211133 /nfs/dbraw/zinc/21/11/33/775211133.db2.gz CVVZULFOZQQFFP-IKGGRYGDSA-N 2 1 303.450 1.607 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896112 776008356 /nfs/dbraw/zinc/00/83/56/776008356.db2.gz JXWIMVSHCOZYJQ-GJZGRUSLSA-N 2 1 322.840 1.867 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896112 776008360 /nfs/dbraw/zinc/00/83/60/776008360.db2.gz JXWIMVSHCOZYJQ-GJZGRUSLSA-N 2 1 322.840 1.867 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001094578374 776053501 /nfs/dbraw/zinc/05/35/01/776053501.db2.gz UJRZLQPILVHSCG-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094578374 776053509 /nfs/dbraw/zinc/05/35/09/776053509.db2.gz UJRZLQPILVHSCG-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001094578374 776053516 /nfs/dbraw/zinc/05/35/16/776053516.db2.gz UJRZLQPILVHSCG-JFIYKMOQSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171500343 776319493 /nfs/dbraw/zinc/31/94/93/776319493.db2.gz KWKCFIDUJBSAFN-ARFHVFGLSA-N 2 1 311.470 1.546 20 30 DDEDMP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171500343 776319501 /nfs/dbraw/zinc/31/95/01/776319501.db2.gz KWKCFIDUJBSAFN-ARFHVFGLSA-N 2 1 311.470 1.546 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171725152 776424731 /nfs/dbraw/zinc/42/47/31/776424731.db2.gz GBLNXFPDIHSDCQ-UHFFFAOYSA-N 2 1 320.275 1.723 20 30 DDEDMP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001100681217 776433823 /nfs/dbraw/zinc/43/38/23/776433823.db2.gz BOIBNTLYVBVENM-UHFFFAOYSA-N 2 1 315.461 1.831 20 30 DDEDMP C=CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001101594520 777286100 /nfs/dbraw/zinc/28/61/00/777286100.db2.gz FQQGTSJYMUFIJP-OAHLLOKOSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150334384 777422090 /nfs/dbraw/zinc/42/20/90/777422090.db2.gz VYDZHRXAVRGOOP-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150334384 777422095 /nfs/dbraw/zinc/42/20/95/777422095.db2.gz VYDZHRXAVRGOOP-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150334384 777422103 /nfs/dbraw/zinc/42/21/03/777422103.db2.gz VYDZHRXAVRGOOP-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)Cn2ccnc2C(C)C)[C@H](C)C1 ZINC001102419767 778127543 /nfs/dbraw/zinc/12/75/43/778127543.db2.gz TXSCYLMUJVGGKW-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419767 778127545 /nfs/dbraw/zinc/12/75/45/778127545.db2.gz TXSCYLMUJVGGKW-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419767 778127547 /nfs/dbraw/zinc/12/75/47/778127547.db2.gz TXSCYLMUJVGGKW-HZPDHXFCSA-N 2 1 316.449 1.714 20 30 DDEDMP COCC#CC[NH2+]CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001177016088 778393143 /nfs/dbraw/zinc/39/31/43/778393143.db2.gz DIBPPJBDTAGSSU-KRWDZBQOSA-N 2 1 317.433 1.035 20 30 DDEDMP C=C(C)CCN1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124178 778436610 /nfs/dbraw/zinc/43/66/10/778436610.db2.gz HVPKCWMUHXKWDZ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]21 ZINC001177124178 778436612 /nfs/dbraw/zinc/43/66/12/778436612.db2.gz HVPKCWMUHXKWDZ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H]2CCN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001177124178 778436618 /nfs/dbraw/zinc/43/66/18/778436618.db2.gz HVPKCWMUHXKWDZ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124178 778436619 /nfs/dbraw/zinc/43/66/19/778436619.db2.gz HVPKCWMUHXKWDZ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC[NH+](C)CC)C[C@@H]21 ZINC001177124178 778436623 /nfs/dbraw/zinc/43/66/23/778436623.db2.gz HVPKCWMUHXKWDZ-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103005162 778551390 /nfs/dbraw/zinc/55/13/90/778551390.db2.gz UFWHUUFAFDUEPT-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103005162 778551395 /nfs/dbraw/zinc/55/13/95/778551395.db2.gz UFWHUUFAFDUEPT-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103005162 778551400 /nfs/dbraw/zinc/55/14/00/778551400.db2.gz UFWHUUFAFDUEPT-QBPKDAKJSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103083966 778629205 /nfs/dbraw/zinc/62/92/05/778629205.db2.gz QUQOBHJGVKJNLO-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001103271398 778749833 /nfs/dbraw/zinc/74/98/33/778749833.db2.gz MONQXIWEFRGGMJ-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584529 778956074 /nfs/dbraw/zinc/95/60/74/778956074.db2.gz YKAHSFRETAFRPU-HZPDHXFCSA-N 2 1 323.481 1.357 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178702386 779151977 /nfs/dbraw/zinc/15/19/77/779151977.db2.gz NRZGIZUXCXGGNW-UHFFFAOYSA-N 2 1 323.481 1.387 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001179539085 779412510 /nfs/dbraw/zinc/41/25/10/779412510.db2.gz ODTLDSPFICCGST-RLFYNMQTSA-N 2 1 323.456 1.801 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111910134 779553188 /nfs/dbraw/zinc/55/31/88/779553188.db2.gz QDKWGJQLXUIKEO-WMZOPIPTSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267266756 837702294 /nfs/dbraw/zinc/70/22/94/837702294.db2.gz IHRRMRRIXIIKQS-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267266756 837702302 /nfs/dbraw/zinc/70/23/02/837702302.db2.gz IHRRMRRIXIIKQS-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001267324758 837827951 /nfs/dbraw/zinc/82/79/51/837827951.db2.gz SQPOEEVPGYEBEF-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C(C)C ZINC001267324758 837827964 /nfs/dbraw/zinc/82/79/64/837827964.db2.gz SQPOEEVPGYEBEF-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C(C)C ZINC001267324758 837827972 /nfs/dbraw/zinc/82/79/72/837827972.db2.gz SQPOEEVPGYEBEF-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266768156 836801734 /nfs/dbraw/zinc/80/17/34/836801734.db2.gz ZRVIUPZYLUWCDL-DLBZAZTESA-N 2 1 323.481 1.051 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001266794014 836846908 /nfs/dbraw/zinc/84/69/08/836846908.db2.gz VVNCFSNHFWGZIL-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001266794014 836846910 /nfs/dbraw/zinc/84/69/10/836846910.db2.gz VVNCFSNHFWGZIL-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001266985634 837150980 /nfs/dbraw/zinc/15/09/80/837150980.db2.gz NTMSOHCMVXWJAB-SJLPKXTDSA-N 2 1 313.445 1.474 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nccs2)CC1 ZINC001266994931 837161508 /nfs/dbraw/zinc/16/15/08/837161508.db2.gz PQBVSCDKQHJEDM-ZDUSSCGKSA-N 2 1 320.462 1.083 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001271966529 844247045 /nfs/dbraw/zinc/24/70/45/844247045.db2.gz XIRNCSOWYZEUIN-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001271966529 844247050 /nfs/dbraw/zinc/24/70/50/844247050.db2.gz XIRNCSOWYZEUIN-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001271966529 844247060 /nfs/dbraw/zinc/24/70/60/844247060.db2.gz XIRNCSOWYZEUIN-JZXOWHBKSA-N 2 1 323.481 1.236 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267115544 837380586 /nfs/dbraw/zinc/38/05/86/837380586.db2.gz WLBRHWYMAQESNF-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267115544 837380592 /nfs/dbraw/zinc/38/05/92/837380592.db2.gz WLBRHWYMAQESNF-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001267115544 837380604 /nfs/dbraw/zinc/38/06/04/837380604.db2.gz WLBRHWYMAQESNF-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC001268280603 839938703 /nfs/dbraw/zinc/93/87/03/839938703.db2.gz MZUFMOQFHBFRNQ-UKRRQHHQSA-N 2 1 318.421 1.248 20 30 DDEDMP CC#CC[NH2+]CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001268793772 840821878 /nfs/dbraw/zinc/82/18/78/840821878.db2.gz YAWZYPGDSTUQER-OAHLLOKOSA-N 2 1 304.438 1.858 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269281638 841464305 /nfs/dbraw/zinc/46/43/05/841464305.db2.gz TTWMPTZWHDYHLV-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269281638 841464312 /nfs/dbraw/zinc/46/43/12/841464312.db2.gz TTWMPTZWHDYHLV-INIZCTEOSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CCOCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001270102831 842295889 /nfs/dbraw/zinc/29/58/89/842295889.db2.gz MOYWHVDDDYMYPA-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001270255897 842428048 /nfs/dbraw/zinc/42/80/48/842428048.db2.gz QZCNOASKGLROBC-UHFFFAOYSA-N 2 1 316.449 1.966 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001271210407 843415923 /nfs/dbraw/zinc/41/59/23/843415923.db2.gz RESQKGKPVVWMBJ-SFHVURJKSA-N 2 1 323.481 1.238 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CCC1 ZINC001326875646 861679724 /nfs/dbraw/zinc/67/97/24/861679724.db2.gz QLCBCMDNLBXVQU-HNNXBMFYSA-N 2 1 314.433 1.406 20 30 DDEDMP C#CCN1CC[C@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101610 847910746 /nfs/dbraw/zinc/91/07/46/847910746.db2.gz YAONHABHUBIMDJ-SFHVURJKSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001034433846 848521016 /nfs/dbraw/zinc/52/10/16/848521016.db2.gz HDKJQPLGCVNYBB-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001034433846 848521023 /nfs/dbraw/zinc/52/10/23/848521023.db2.gz HDKJQPLGCVNYBB-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433846 848521030 /nfs/dbraw/zinc/52/10/30/848521030.db2.gz HDKJQPLGCVNYBB-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034433846 848521037 /nfs/dbraw/zinc/52/10/37/848521037.db2.gz HDKJQPLGCVNYBB-SJORKVTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001327189264 861954635 /nfs/dbraw/zinc/95/46/35/861954635.db2.gz QFYQQEIQDTXVLA-CVEARBPZSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001327189264 861954643 /nfs/dbraw/zinc/95/46/43/861954643.db2.gz QFYQQEIQDTXVLA-CVEARBPZSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001327189264 861954651 /nfs/dbraw/zinc/95/46/51/861954651.db2.gz QFYQQEIQDTXVLA-CVEARBPZSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001327189264 861954655 /nfs/dbraw/zinc/95/46/55/861954655.db2.gz QFYQQEIQDTXVLA-CVEARBPZSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001327349943 862090067 /nfs/dbraw/zinc/09/00/67/862090067.db2.gz MQLVWZUMIKVKEA-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001273576353 851107265 /nfs/dbraw/zinc/10/72/65/851107265.db2.gz QQQTVIDKJBHLEM-OAHLLOKOSA-N 2 1 304.438 1.768 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001274437886 852267680 /nfs/dbraw/zinc/26/76/80/852267680.db2.gz YJPXSIXYDZFKGB-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001150731067 862440183 /nfs/dbraw/zinc/44/01/83/862440183.db2.gz BSUDDFKTMOCHFO-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCCC[NH+]1CCC2(CCC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001275975456 854054979 /nfs/dbraw/zinc/05/49/79/854054979.db2.gz DTVYIJHOVAOEJK-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)[C@@H]2C1 ZINC001276242942 855036333 /nfs/dbraw/zinc/03/63/33/855036333.db2.gz SWCQGQLJRZOTGA-MAUKXSAKSA-N 2 1 316.424 1.765 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001328155486 862734846 /nfs/dbraw/zinc/73/48/46/862734846.db2.gz HSDUFQMBGRERRM-HOTGVXAUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001328278037 862853437 /nfs/dbraw/zinc/85/34/37/862853437.db2.gz GSWNRONRIQKCMH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001328278037 862853454 /nfs/dbraw/zinc/85/34/54/862853454.db2.gz GSWNRONRIQKCMH-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]CC#CCOC)C1 ZINC001328388371 862943252 /nfs/dbraw/zinc/94/32/52/862943252.db2.gz MXMKYUHXPPHSCS-IRXDYDNUSA-N 2 1 323.481 1.243 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001072811691 857738806 /nfs/dbraw/zinc/73/88/06/857738806.db2.gz BOLGOAKKYPAGCE-UHFFFAOYSA-N 2 1 311.857 1.758 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001072825784 857762448 /nfs/dbraw/zinc/76/24/48/857762448.db2.gz CTALJINTPMDVIY-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072825784 857762456 /nfs/dbraw/zinc/76/24/56/857762456.db2.gz CTALJINTPMDVIY-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001072825784 857762462 /nfs/dbraw/zinc/76/24/62/857762462.db2.gz CTALJINTPMDVIY-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001154272834 860940935 /nfs/dbraw/zinc/94/09/35/860940935.db2.gz URIYRZXCQCJYBL-CQSZACIVSA-N 2 1 311.389 1.341 20 30 DDEDMP C#CCC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001328589341 863093083 /nfs/dbraw/zinc/09/30/83/863093083.db2.gz ZGHYQPTVPJFNKZ-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP C#CCC[N@@H+](CC)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001328589341 863093097 /nfs/dbraw/zinc/09/30/97/863093097.db2.gz ZGHYQPTVPJFNKZ-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001328589341 863093109 /nfs/dbraw/zinc/09/31/09/863093109.db2.gz ZGHYQPTVPJFNKZ-UHFFFAOYSA-N 2 1 307.482 1.912 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001328782219 863219685 /nfs/dbraw/zinc/21/96/85/863219685.db2.gz YFXNWXWEGJOACP-INIZCTEOSA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001328781741 863219792 /nfs/dbraw/zinc/21/97/92/863219792.db2.gz VKLUXZJZPYBGFV-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001153677791 864014296 /nfs/dbraw/zinc/01/42/96/864014296.db2.gz OTMBOTUWYPSXGT-CYBMUJFWSA-N 2 1 307.463 1.883 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CCC[C@@H](C)O ZINC001153864168 864176299 /nfs/dbraw/zinc/17/62/99/864176299.db2.gz FMIJZDZCTQDPCA-ZACQAIPSSA-N 2 1 323.481 1.072 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CCC[C@@H](C)O ZINC001153864168 864176304 /nfs/dbraw/zinc/17/63/04/864176304.db2.gz FMIJZDZCTQDPCA-ZACQAIPSSA-N 2 1 323.481 1.072 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC[C@@H](C)O ZINC001153864168 864176306 /nfs/dbraw/zinc/17/63/06/864176306.db2.gz FMIJZDZCTQDPCA-ZACQAIPSSA-N 2 1 323.481 1.072 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CCC[C@@H](C)O ZINC001153864168 864176312 /nfs/dbraw/zinc/17/63/12/864176312.db2.gz FMIJZDZCTQDPCA-ZACQAIPSSA-N 2 1 323.481 1.072 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001330472065 864381871 /nfs/dbraw/zinc/38/18/71/864381871.db2.gz YDPTWUMFZISCAE-RCCFBDPRSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001158751025 864878536 /nfs/dbraw/zinc/87/85/36/864878536.db2.gz PNIUHTXSCBYXON-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001158751025 864878550 /nfs/dbraw/zinc/87/85/50/864878550.db2.gz PNIUHTXSCBYXON-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001158751025 864878568 /nfs/dbraw/zinc/87/85/68/864878568.db2.gz PNIUHTXSCBYXON-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001331712476 865267239 /nfs/dbraw/zinc/26/72/39/865267239.db2.gz PMCMIPHQWVMMRW-JKSUJKDBSA-N 2 1 323.481 1.284 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001160131790 865688909 /nfs/dbraw/zinc/68/89/09/865688909.db2.gz VTEPIVHDSOURFV-MSOLQXFVSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001160131790 865688915 /nfs/dbraw/zinc/68/89/15/865688915.db2.gz VTEPIVHDSOURFV-MSOLQXFVSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001160131790 865688919 /nfs/dbraw/zinc/68/89/19/865688919.db2.gz VTEPIVHDSOURFV-MSOLQXFVSA-N 2 1 315.461 1.632 20 30 DDEDMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001323049447 866296383 /nfs/dbraw/zinc/29/63/83/866296383.db2.gz YHBKNFZBZAZRJM-IRXDYDNUSA-N 2 1 305.466 1.616 20 30 DDEDMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001320414092 866717436 /nfs/dbraw/zinc/71/74/36/866717436.db2.gz ABLYMMDEINQZAP-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924399 867104410 /nfs/dbraw/zinc/10/44/10/867104410.db2.gz ATHRBZWPPNEFEC-IYBDPMFKSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924399 867104420 /nfs/dbraw/zinc/10/44/20/867104420.db2.gz ATHRBZWPPNEFEC-IYBDPMFKSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001161924399 867104439 /nfs/dbraw/zinc/10/44/39/867104439.db2.gz ATHRBZWPPNEFEC-IYBDPMFKSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CC=C)CC2)CC1 ZINC001161946802 867128250 /nfs/dbraw/zinc/12/82/50/867128250.db2.gz FBRHTWHWLMOAKI-UHFFFAOYSA-N 2 1 315.461 1.656 20 30 DDEDMP C=C(C)CC[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001325214881 867869110 /nfs/dbraw/zinc/86/91/10/867869110.db2.gz VBNQKRQNUKQDOM-UHFFFAOYSA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001322666780 868315475 /nfs/dbraw/zinc/31/54/75/868315475.db2.gz FGUMPNAHTBEEQN-AWEZNQCLSA-N 2 1 324.856 1.945 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163940969 868810700 /nfs/dbraw/zinc/81/07/00/868810700.db2.gz UKNBLSFQZZSZQV-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C=CCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940969 868810718 /nfs/dbraw/zinc/81/07/18/868810718.db2.gz UKNBLSFQZZSZQV-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163940457 868812807 /nfs/dbraw/zinc/81/28/07/868812807.db2.gz LAQWDVPIMOXCMC-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163940457 868812818 /nfs/dbraw/zinc/81/28/18/868812818.db2.gz LAQWDVPIMOXCMC-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=C)C)CC1 ZINC001165545056 869636129 /nfs/dbraw/zinc/63/61/29/869636129.db2.gz AWMRUVWCYQMCMB-INIZCTEOSA-N 2 1 303.450 1.536 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=C)C)CC1 ZINC001165545056 869636131 /nfs/dbraw/zinc/63/61/31/869636131.db2.gz AWMRUVWCYQMCMB-INIZCTEOSA-N 2 1 303.450 1.536 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001165911908 869760822 /nfs/dbraw/zinc/76/08/22/869760822.db2.gz GKKNUZHDOUBSQH-UHFFFAOYSA-N 2 1 320.437 1.802 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001317024530 870132045 /nfs/dbraw/zinc/13/20/45/870132045.db2.gz FJRBVJLMXKXPMS-NVXWUHKLSA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001317063758 870189241 /nfs/dbraw/zinc/18/92/41/870189241.db2.gz FCAZYVBGHOVJEM-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001317082400 870219717 /nfs/dbraw/zinc/21/97/17/870219717.db2.gz ZYNWUNFFCHTNHA-IHRRRGAJSA-N 2 1 320.437 1.941 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137597 870339318 /nfs/dbraw/zinc/33/93/18/870339318.db2.gz NKIOKLOFMNKANE-FUHWJXTLSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317137597 870339327 /nfs/dbraw/zinc/33/93/27/870339327.db2.gz NKIOKLOFMNKANE-FUHWJXTLSA-N 2 1 313.445 1.751 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317340089 870670743 /nfs/dbraw/zinc/67/07/43/870670743.db2.gz JRKNYTOLLPXRPB-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001276439630 870928805 /nfs/dbraw/zinc/92/88/05/870928805.db2.gz HVAMUGWJUGVATO-HNNXBMFYSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001317787112 871501953 /nfs/dbraw/zinc/50/19/53/871501953.db2.gz CBALMHCZLIKHAK-HOTGVXAUSA-N 2 1 316.449 1.850 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001317848168 871586856 /nfs/dbraw/zinc/58/68/56/871586856.db2.gz KGLNEJRGSAEMQZ-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317848168 871586889 /nfs/dbraw/zinc/58/68/89/871586889.db2.gz KGLNEJRGSAEMQZ-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317848168 871586904 /nfs/dbraw/zinc/58/69/04/871586904.db2.gz KGLNEJRGSAEMQZ-DLBZAZTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[NH2+]CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001205518664 871602419 /nfs/dbraw/zinc/60/24/19/871602419.db2.gz GHVPGIMRJMISSS-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[C@]1(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CCC[NH2+]1 ZINC001341730174 871793385 /nfs/dbraw/zinc/79/33/85/871793385.db2.gz POMMSJNKFUEMBX-SQWLQELKSA-N 2 1 309.479 1.381 20 30 DDEDMP C=CC[C@]1(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CCC[NH2+]1 ZINC001341730174 871793398 /nfs/dbraw/zinc/79/33/98/871793398.db2.gz POMMSJNKFUEMBX-SQWLQELKSA-N 2 1 309.479 1.381 20 30 DDEDMP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001316845204 872153107 /nfs/dbraw/zinc/15/31/07/872153107.db2.gz LXTVJWUNSIILTP-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001316845204 872153116 /nfs/dbraw/zinc/15/31/16/872153116.db2.gz LXTVJWUNSIILTP-HNNXBMFYSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001316845205 872153279 /nfs/dbraw/zinc/15/32/79/872153279.db2.gz LXTVJWUNSIILTP-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001316845205 872153296 /nfs/dbraw/zinc/15/32/96/872153296.db2.gz LXTVJWUNSIILTP-OAHLLOKOSA-N 2 1 302.422 1.215 20 30 DDEDMP C#CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001343426595 872620455 /nfs/dbraw/zinc/62/04/55/872620455.db2.gz YKVFFQSDBFONAZ-WMZOPIPTSA-N 2 1 313.445 1.721 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001346547160 873798329 /nfs/dbraw/zinc/79/83/29/873798329.db2.gz RXXVXCAXDBIVHE-OAHLLOKOSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001346547160 873798340 /nfs/dbraw/zinc/79/83/40/873798340.db2.gz RXXVXCAXDBIVHE-OAHLLOKOSA-N 2 1 320.481 1.646 20 30 DDEDMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)[NH+](C)C ZINC001378133952 874216367 /nfs/dbraw/zinc/21/63/67/874216367.db2.gz ZMIGKBIHQUWZQA-YOEHRIQHSA-N 2 1 316.449 1.835 20 30 DDEDMP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001378199814 874411800 /nfs/dbraw/zinc/41/18/00/874411800.db2.gz PLIDXOBVCMQSPD-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1C#N ZINC001378199814 874411809 /nfs/dbraw/zinc/41/18/09/874411809.db2.gz PLIDXOBVCMQSPD-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1C#N ZINC001378199814 874411813 /nfs/dbraw/zinc/41/18/13/874411813.db2.gz PLIDXOBVCMQSPD-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C#N ZINC001378199814 874411820 /nfs/dbraw/zinc/41/18/20/874411820.db2.gz PLIDXOBVCMQSPD-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC001350112195 875539228 /nfs/dbraw/zinc/53/92/28/875539228.db2.gz BFMWIKMHQHCAQM-IXDOHACOSA-N 2 1 318.465 1.352 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC001350112195 875539241 /nfs/dbraw/zinc/53/92/41/875539241.db2.gz BFMWIKMHQHCAQM-IXDOHACOSA-N 2 1 318.465 1.352 20 30 DDEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC#CCOC)C1 ZINC001211256432 875728334 /nfs/dbraw/zinc/72/83/34/875728334.db2.gz GJGOFUBUKMUHEI-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001381928041 882974691 /nfs/dbraw/zinc/97/46/91/882974691.db2.gz JYUSDSSVHNHGAZ-RRFJBIMHSA-N 2 1 313.873 1.907 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213872015 876084396 /nfs/dbraw/zinc/08/43/96/876084396.db2.gz QHNYSXFVYWPBQG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H](OC)C1 ZINC001213872015 876084411 /nfs/dbraw/zinc/08/44/11/876084411.db2.gz QHNYSXFVYWPBQG-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@H]2C1 ZINC001218629906 877623983 /nfs/dbraw/zinc/62/39/83/877623983.db2.gz CKZIGWWVQNNRCE-YESZJQIVSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740176 879222881 /nfs/dbraw/zinc/22/28/81/879222881.db2.gz BGKSHGXOQCZINB-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](CCC)CCC)[C@@H](O)C1 ZINC001220740176 879222900 /nfs/dbraw/zinc/22/29/00/879222900.db2.gz BGKSHGXOQCZINB-CVEARBPZSA-N 2 1 311.470 1.236 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823018 880108382 /nfs/dbraw/zinc/10/83/82/880108382.db2.gz BSPUAHDOXQBBFL-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001222034768 880194506 /nfs/dbraw/zinc/19/45/06/880194506.db2.gz IWNDOCQQOHQTQB-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001222034768 880194519 /nfs/dbraw/zinc/19/45/19/880194519.db2.gz IWNDOCQQOHQTQB-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001222034768 880194533 /nfs/dbraw/zinc/19/45/33/880194533.db2.gz IWNDOCQQOHQTQB-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001222034768 880194546 /nfs/dbraw/zinc/19/45/46/880194546.db2.gz IWNDOCQQOHQTQB-ZACQAIPSSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[N@H+](CCCNC(=O)CC[NH+](C)C)Cc1cccnc1 ZINC001230835366 884939868 /nfs/dbraw/zinc/93/98/68/884939868.db2.gz CFWYYFKTPUYURK-UHFFFAOYSA-N 2 1 316.449 1.365 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001277473538 885078404 /nfs/dbraw/zinc/07/84/04/885078404.db2.gz FWPRXXNIHICEBS-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234401067 887937140 /nfs/dbraw/zinc/93/71/40/887937140.db2.gz ANIMUYYWTJEUFH-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001234401067 887937145 /nfs/dbraw/zinc/93/71/45/887937145.db2.gz ANIMUYYWTJEUFH-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CC#CC)CC1 ZINC001278163150 889937187 /nfs/dbraw/zinc/93/71/87/889937187.db2.gz CITNGUVUVNHPLZ-UHFFFAOYSA-N 2 1 312.417 1.141 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CCC(=O)OC ZINC001246306878 892529825 /nfs/dbraw/zinc/52/98/25/892529825.db2.gz YTIUXOOQPSQVQC-STQMWFEESA-N 2 1 300.399 1.145 20 30 DDEDMP C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CC[NH2+]CC3)C2)C1 ZINC001246551464 892691846 /nfs/dbraw/zinc/69/18/46/892691846.db2.gz RADKYYXCZRGFNR-QGZVFWFLSA-N 2 1 307.438 1.849 20 30 DDEDMP CC#CC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1(C)C ZINC001278650710 895034179 /nfs/dbraw/zinc/03/41/79/895034179.db2.gz HYMNNUJNPUNMPM-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001252918608 895545537 /nfs/dbraw/zinc/54/55/37/895545537.db2.gz HYCSUXFCQJZPOS-LJQANCHMSA-N 2 1 307.397 1.534 20 30 DDEDMP C#Cc1cc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC001252918608 895545553 /nfs/dbraw/zinc/54/55/53/895545553.db2.gz HYCSUXFCQJZPOS-LJQANCHMSA-N 2 1 307.397 1.534 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1 ZINC001278728520 895883593 /nfs/dbraw/zinc/88/35/93/895883593.db2.gz OODAPXBUKGPNBM-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001278865130 896896413 /nfs/dbraw/zinc/89/64/13/896896413.db2.gz QVKUEJKBRUWWLG-MRXNPFEDSA-N 2 1 323.481 1.024 20 30 DDEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001278865130 896896416 /nfs/dbraw/zinc/89/64/16/896896416.db2.gz QVKUEJKBRUWWLG-MRXNPFEDSA-N 2 1 323.481 1.024 20 30 DDEDMP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001278865130 896896425 /nfs/dbraw/zinc/89/64/25/896896425.db2.gz QVKUEJKBRUWWLG-MRXNPFEDSA-N 2 1 323.481 1.024 20 30 DDEDMP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001367856690 898045553 /nfs/dbraw/zinc/04/55/53/898045553.db2.gz NMNXXYXRIAZSCS-PBHICJAKSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367856690 898045566 /nfs/dbraw/zinc/04/55/66/898045566.db2.gz NMNXXYXRIAZSCS-PBHICJAKSA-N 2 1 314.433 1.446 20 30 DDEDMP C[C@H](C[NH+](C)Cc1cccc(C#N)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367856690 898045579 /nfs/dbraw/zinc/04/55/79/898045579.db2.gz NMNXXYXRIAZSCS-PBHICJAKSA-N 2 1 314.433 1.446 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001264095963 900928535 /nfs/dbraw/zinc/92/85/35/900928535.db2.gz CLJKMMNDRKNVJY-IKGGRYGDSA-N 2 1 323.481 1.310 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001264497511 901150558 /nfs/dbraw/zinc/15/05/58/901150558.db2.gz XONGWCJQOYBZFS-INIZCTEOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001264636158 901240726 /nfs/dbraw/zinc/24/07/26/901240726.db2.gz OQSVHWCFLNFTJJ-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001264636158 901240739 /nfs/dbraw/zinc/24/07/39/901240739.db2.gz OQSVHWCFLNFTJJ-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001264636158 901240756 /nfs/dbraw/zinc/24/07/56/901240756.db2.gz OQSVHWCFLNFTJJ-SJORKVTESA-N 2 1 323.481 1.332 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001265310251 901867910 /nfs/dbraw/zinc/86/79/10/901867910.db2.gz KBXRPRDMRPHYRZ-HNNXBMFYSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001265655828 902263940 /nfs/dbraw/zinc/26/39/40/902263940.db2.gz QHEOFZRTAYLCIR-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCOCC1 ZINC001265655828 902263960 /nfs/dbraw/zinc/26/39/60/902263960.db2.gz QHEOFZRTAYLCIR-INIZCTEOSA-N 2 1 309.454 1.256 20 30 DDEDMP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001265734867 902351392 /nfs/dbraw/zinc/35/13/92/902351392.db2.gz FZNOVHHAWOONSV-OFLPRAFFSA-N 2 1 305.466 1.901 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001279236410 903197720 /nfs/dbraw/zinc/19/77/20/903197720.db2.gz FLEFYVBUDWQDJF-BJWYYQGGSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001279237436 903201521 /nfs/dbraw/zinc/20/15/21/903201521.db2.gz XCPJCHRZXCAGSL-MUJYYYPQSA-N 2 1 302.422 1.737 20 30 DDEDMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1C)C2 ZINC001279237436 903201535 /nfs/dbraw/zinc/20/15/35/903201535.db2.gz XCPJCHRZXCAGSL-MUJYYYPQSA-N 2 1 302.422 1.737 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001279618991 903355492 /nfs/dbraw/zinc/35/54/92/903355492.db2.gz VMFJWSULFGGADD-GVDBMIGSSA-N 2 1 323.456 1.612 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001316609325 904636381 /nfs/dbraw/zinc/63/63/81/904636381.db2.gz KXHQEYPNAMATPY-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001283092836 906616175 /nfs/dbraw/zinc/61/61/75/906616175.db2.gz XITYJGMIKNJZAS-KOMQPUFPSA-N 2 1 323.400 1.389 20 30 DDEDMP C=CCC[N@H+](C)C1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001283344636 907182669 /nfs/dbraw/zinc/18/26/69/907182669.db2.gz UOGSCRPQTJKFFZ-MRXNPFEDSA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)CCc3nccn3C)CCC[C@@H]12 ZINC001284055769 908404842 /nfs/dbraw/zinc/40/48/42/908404842.db2.gz CAVXDCAGXMKWFR-RHSMWYFYSA-N 2 1 300.406 1.099 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001284087939 908455978 /nfs/dbraw/zinc/45/59/78/908455978.db2.gz SOLPKOLUVMXIDP-BRWVUGGUSA-N 2 1 314.433 1.432 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079382595 353559426 /nfs/dbraw/zinc/55/94/26/353559426.db2.gz LJYXCUSSGPZZPT-INIZCTEOSA-N 2 1 304.438 1.244 20 30 DDEDMP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](C#N)CCC#N)ccn1 ZINC000579703338 354722490 /nfs/dbraw/zinc/72/24/90/354722490.db2.gz IVSAOKHNLPWSAL-HNNXBMFYSA-N 2 1 301.394 1.555 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900552 356697555 /nfs/dbraw/zinc/69/75/55/356697555.db2.gz GMRJBDGCCIWOKX-UKRRQHHQSA-N 2 1 322.453 1.098 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)cs1 ZINC000597943127 357392582 /nfs/dbraw/zinc/39/25/82/357392582.db2.gz VAJWUYVJQLJTRU-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C#N)cs1 ZINC000597943127 357392586 /nfs/dbraw/zinc/39/25/86/357392586.db2.gz VAJWUYVJQLJTRU-LBPRGKRZSA-N 2 1 308.451 1.622 20 30 DDEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599303130 357884021 /nfs/dbraw/zinc/88/40/21/357884021.db2.gz MABHZWNKDVPBTP-IRXDYDNUSA-N 2 1 323.481 1.721 20 30 DDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318298 357891254 /nfs/dbraw/zinc/89/12/54/357891254.db2.gz WONPXMHHMZMOFX-JKSUJKDBSA-N 2 1 309.454 1.331 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318298 357891258 /nfs/dbraw/zinc/89/12/58/357891258.db2.gz WONPXMHHMZMOFX-JKSUJKDBSA-N 2 1 309.454 1.331 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599318298 357891260 /nfs/dbraw/zinc/89/12/60/357891260.db2.gz WONPXMHHMZMOFX-JKSUJKDBSA-N 2 1 309.454 1.331 20 30 DDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)[C@@H](C)C1 ZINC000599373103 357914348 /nfs/dbraw/zinc/91/43/48/357914348.db2.gz SZELRYKYSTYHGP-ULQDDVLXSA-N 2 1 323.481 1.768 20 30 DDEDMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(CCC#N)CC2)cc1 ZINC000602752545 359170059 /nfs/dbraw/zinc/17/00/59/359170059.db2.gz YIZAXTUXCYHYAZ-UHFFFAOYSA-N 2 1 316.449 1.658 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000170911196 407552066 /nfs/dbraw/zinc/55/20/66/407552066.db2.gz YIQJBCUCDLUCLF-HOTGVXAUSA-N 2 1 320.412 1.308 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1OC ZINC000186865048 407787247 /nfs/dbraw/zinc/78/72/47/407787247.db2.gz AUTYXMFFKJKXLV-AWEZNQCLSA-N 2 1 308.401 1.723 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272425528 407915555 /nfs/dbraw/zinc/91/55/55/407915555.db2.gz HBXPVNNHJDUODD-WBVHZDCISA-N 2 1 301.434 1.789 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272425528 407915559 /nfs/dbraw/zinc/91/55/59/407915559.db2.gz HBXPVNNHJDUODD-WBVHZDCISA-N 2 1 301.434 1.789 20 30 DDEDMP Cc1nccn1CCC[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000136305623 408096407 /nfs/dbraw/zinc/09/64/07/408096407.db2.gz DCLNNLYGRAKHIV-UHFFFAOYSA-N 2 1 317.437 1.856 20 30 DDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000136305623 408096422 /nfs/dbraw/zinc/09/64/22/408096422.db2.gz DCLNNLYGRAKHIV-UHFFFAOYSA-N 2 1 317.437 1.856 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246159452 408156990 /nfs/dbraw/zinc/15/69/90/408156990.db2.gz DUOOKSOKFSMEQM-GDBMZVCRSA-N 2 1 308.470 1.618 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000182958020 408290895 /nfs/dbraw/zinc/29/08/95/408290895.db2.gz ZSUVIEFYRWTLSL-GOSISDBHSA-N 2 1 316.449 1.161 20 30 DDEDMP CC[NH+]=C(NCc1cc(C)no1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158248380 408333629 /nfs/dbraw/zinc/33/36/29/408333629.db2.gz OVRCCUZUNHQTCZ-WFASDCNBSA-N 2 1 307.442 1.767 20 30 DDEDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176963230 408483547 /nfs/dbraw/zinc/48/35/47/408483547.db2.gz ZAHGWCWJECGHGH-UHFFFAOYSA-N 2 1 306.479 1.983 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)Nc2c[nH+]ccc2-n2cccn2)CC1 ZINC000264377560 408465818 /nfs/dbraw/zinc/46/58/18/408465818.db2.gz WNHPGGYXUIYLCX-UHFFFAOYSA-N 2 1 309.373 1.551 20 30 DDEDMP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000265485818 408667865 /nfs/dbraw/zinc/66/78/65/408667865.db2.gz MDOFDYZDEGZYFF-IRXDYDNUSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000265485818 408667875 /nfs/dbraw/zinc/66/78/75/408667875.db2.gz MDOFDYZDEGZYFF-IRXDYDNUSA-N 2 1 317.433 1.572 20 30 DDEDMP C[NH+](C[C@H](O)COc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000265485818 408667878 /nfs/dbraw/zinc/66/78/78/408667878.db2.gz MDOFDYZDEGZYFF-IRXDYDNUSA-N 2 1 317.433 1.572 20 30 DDEDMP C=CCC[N@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000276509573 408873149 /nfs/dbraw/zinc/87/31/49/408873149.db2.gz XJGJPCYGAISIJT-UHFFFAOYSA-N 2 1 307.463 1.900 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@@](C)(CC)C1 ZINC000261674943 222253923 /nfs/dbraw/zinc/25/39/23/222253923.db2.gz CMNBSMVPASJPDU-NVXWUHKLSA-N 2 1 309.502 1.320 20 30 DDEDMP C[NH+]=C(NCCn1ccnc1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261958186 222263384 /nfs/dbraw/zinc/26/33/84/222263384.db2.gz JIZLDZFGVINXCQ-HIFRSBDPSA-N 3 1 306.458 1.085 20 30 DDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000261958186 222263388 /nfs/dbraw/zinc/26/33/88/222263388.db2.gz JIZLDZFGVINXCQ-HIFRSBDPSA-N 3 1 306.458 1.085 20 30 DDEDMP CC[NH+]=C(NCc1nccs1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262021845 222271005 /nfs/dbraw/zinc/27/10/05/222271005.db2.gz ZABGDTXFQFGBNH-YPMHNXCESA-N 2 1 307.467 1.681 20 30 DDEDMP COc1cccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+]2CCCC2)c1 ZINC000262663291 222288741 /nfs/dbraw/zinc/28/87/41/222288741.db2.gz NPJCVLHFWBDRMY-CZUORRHYSA-N 2 1 302.422 1.769 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC12CCSCC2 ZINC000263037258 222301441 /nfs/dbraw/zinc/30/14/41/222301441.db2.gz BXYHIZQKTSSIMO-ZIAGYGMSSA-N 2 1 310.511 1.908 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1ccccc1F ZINC000264069279 222313273 /nfs/dbraw/zinc/31/32/73/222313273.db2.gz CTJFCAIDWZMIOY-WFASDCNBSA-N 2 1 308.401 1.248 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000264091739 222315531 /nfs/dbraw/zinc/31/55/31/222315531.db2.gz LDNSDWFRGAOZBK-LLVKDONJSA-N 2 1 319.384 1.759 20 30 DDEDMP C[N@@H+](CCCSCC#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371206646 418768581 /nfs/dbraw/zinc/76/85/81/418768581.db2.gz ZJQVRTPORVKHHT-INIZCTEOSA-N 2 1 310.511 1.734 20 30 DDEDMP C[C@H](CCC#N)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000411366953 418896769 /nfs/dbraw/zinc/89/67/69/418896769.db2.gz GJJMUYCWBSFTID-OAHLLOKOSA-N 2 1 306.454 1.555 20 30 DDEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000424078915 228225417 /nfs/dbraw/zinc/22/54/17/228225417.db2.gz QREUNVGVUVKHMN-OAHLLOKOSA-N 2 1 322.453 1.159 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424156692 228237584 /nfs/dbraw/zinc/23/75/84/228237584.db2.gz OPDFCQDKMMEAGX-PBHICJAKSA-N 2 1 314.433 1.571 20 30 DDEDMP CC1(C#N)CCC([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000449132810 420957141 /nfs/dbraw/zinc/95/71/41/420957141.db2.gz BPNCXJZCCWXSRT-HPUBIQBYSA-N 2 1 306.454 1.636 20 30 DDEDMP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000527377476 421384229 /nfs/dbraw/zinc/38/42/29/421384229.db2.gz XBXMZWGABHCPEY-CABCVRRESA-N 2 1 318.465 1.791 20 30 DDEDMP C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000527377476 421384233 /nfs/dbraw/zinc/38/42/33/421384233.db2.gz XBXMZWGABHCPEY-CABCVRRESA-N 2 1 318.465 1.791 20 30 DDEDMP C=CCOc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1OC ZINC000629389187 422644766 /nfs/dbraw/zinc/64/47/66/422644766.db2.gz ZEJJHHCPIAXEOA-UHFFFAOYSA-N 2 1 306.406 1.858 20 30 DDEDMP C(#CC[N@@H+]1CCC[C@@H]2COC[C@@H]21)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000657295012 424265032 /nfs/dbraw/zinc/26/50/32/424265032.db2.gz RNRUBSBSSXGEPF-BDXSIMOUSA-N 2 1 304.434 1.211 20 30 DDEDMP C(#CC[N@H+]1CCC[C@@H]2COC[C@@H]21)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000657295012 424265044 /nfs/dbraw/zinc/26/50/44/424265044.db2.gz RNRUBSBSSXGEPF-BDXSIMOUSA-N 2 1 304.434 1.211 20 30 DDEDMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330267117 276231861 /nfs/dbraw/zinc/23/18/61/276231861.db2.gz HYJYAXYTMXPYCO-ZNMIVQPWSA-N 2 1 317.437 1.671 20 30 DDEDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330267117 276231863 /nfs/dbraw/zinc/23/18/63/276231863.db2.gz HYJYAXYTMXPYCO-ZNMIVQPWSA-N 2 1 317.437 1.671 20 30 DDEDMP C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000521032487 333327143 /nfs/dbraw/zinc/32/71/43/333327143.db2.gz RGLKPSBDYUEMSY-XYJFISCASA-N 2 1 322.497 1.435 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424131590 533795498 /nfs/dbraw/zinc/79/54/98/533795498.db2.gz JCMGUYFLTOPEHK-XHSDSOJGSA-N 2 1 308.470 1.882 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000491814987 526806240 /nfs/dbraw/zinc/80/62/40/526806240.db2.gz FAIVUAHOOAFQKE-JKSUJKDBSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000491814987 526806244 /nfs/dbraw/zinc/80/62/44/526806244.db2.gz FAIVUAHOOAFQKE-JKSUJKDBSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000491814987 526806247 /nfs/dbraw/zinc/80/62/47/526806247.db2.gz FAIVUAHOOAFQKE-JKSUJKDBSA-N 2 1 308.470 1.456 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000491263473 526807892 /nfs/dbraw/zinc/80/78/92/526807892.db2.gz ABTOYXQKMBSKEF-UHFFFAOYSA-N 2 1 320.481 1.459 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000491460583 526812619 /nfs/dbraw/zinc/81/26/19/526812619.db2.gz AFSFUSGRACIXAZ-KRWDZBQOSA-N 2 1 314.433 1.209 20 30 DDEDMP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330218908 528251097 /nfs/dbraw/zinc/25/10/97/528251097.db2.gz JVJVJLLBFJVBBY-CVEARBPZSA-N 2 1 309.454 1.663 20 30 DDEDMP CCC(CC)[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424142620 528821698 /nfs/dbraw/zinc/82/16/98/528821698.db2.gz YNHZIHQIBUZTHN-HZPDHXFCSA-N 2 1 324.469 1.261 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577909 695689053 /nfs/dbraw/zinc/68/90/53/695689053.db2.gz OTLNRPSLICDBRA-HZPDHXFCSA-N 2 1 305.466 1.731 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974580299 695689694 /nfs/dbraw/zinc/68/96/94/695689694.db2.gz SBZLFSXCZVZZTJ-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000974580299 695689695 /nfs/dbraw/zinc/68/96/95/695689695.db2.gz SBZLFSXCZVZZTJ-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C(C)(C)C1 ZINC000974580299 695689696 /nfs/dbraw/zinc/68/96/96/695689696.db2.gz SBZLFSXCZVZZTJ-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)(C)C1 ZINC000974580299 695689697 /nfs/dbraw/zinc/68/96/97/695689697.db2.gz SBZLFSXCZVZZTJ-JKSUJKDBSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670262 695708694 /nfs/dbraw/zinc/70/86/94/695708694.db2.gz HTPJXJLAEJHYPI-ZIAGYGMSSA-N 2 1 302.422 1.773 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)C(C)(C)C1 ZINC000974670262 695708696 /nfs/dbraw/zinc/70/86/96/695708696.db2.gz HTPJXJLAEJHYPI-ZIAGYGMSSA-N 2 1 302.422 1.773 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC000978141750 696330246 /nfs/dbraw/zinc/33/02/46/696330246.db2.gz JOPSOLPOZHBWIO-LUKYLMHMSA-N 2 1 303.450 1.198 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978247489 696350320 /nfs/dbraw/zinc/35/03/20/696350320.db2.gz IQOVITUNOALOHH-TVFCKZIOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978247489 696350323 /nfs/dbraw/zinc/35/03/23/696350323.db2.gz IQOVITUNOALOHH-TVFCKZIOSA-N 2 1 319.493 1.834 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978247489 696350326 /nfs/dbraw/zinc/35/03/26/696350326.db2.gz IQOVITUNOALOHH-TVFCKZIOSA-N 2 1 319.493 1.834 20 30 DDEDMP Cc1ccc([C@H](CNC(=[NH2+])NC[C@H]2CCCO2)[NH+]2CCCC2)o1 ZINC000066246481 696350842 /nfs/dbraw/zinc/35/08/42/696350842.db2.gz AQZWVBBTZVHPAA-CABCVRRESA-N 2 1 320.437 1.808 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978803291 696461255 /nfs/dbraw/zinc/46/12/55/696461255.db2.gz YEWZAYPVLTUIAZ-ZJPYXAASSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978803291 696461257 /nfs/dbraw/zinc/46/12/57/696461257.db2.gz YEWZAYPVLTUIAZ-ZJPYXAASSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978803291 696461258 /nfs/dbraw/zinc/46/12/58/696461258.db2.gz YEWZAYPVLTUIAZ-ZJPYXAASSA-N 2 1 317.477 1.567 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC000980176943 696700871 /nfs/dbraw/zinc/70/08/71/696700871.db2.gz MIONMQSSOMMQDL-ULQDDVLXSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767613 696908541 /nfs/dbraw/zinc/90/85/41/696908541.db2.gz UOQUEHHWEAAZEJ-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767613 696908543 /nfs/dbraw/zinc/90/85/43/696908543.db2.gz UOQUEHHWEAAZEJ-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767613 696908547 /nfs/dbraw/zinc/90/85/47/696908547.db2.gz UOQUEHHWEAAZEJ-IRXDYDNUSA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767611 696908748 /nfs/dbraw/zinc/90/87/48/696908748.db2.gz UOQUEHHWEAAZEJ-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC000981767611 696908750 /nfs/dbraw/zinc/90/87/50/696908750.db2.gz UOQUEHHWEAAZEJ-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767611 696908752 /nfs/dbraw/zinc/90/87/52/696908752.db2.gz UOQUEHHWEAAZEJ-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC000981812647 696926564 /nfs/dbraw/zinc/92/65/64/696926564.db2.gz RWCVOMLAZZVAPC-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812647 696926566 /nfs/dbraw/zinc/92/65/66/696926566.db2.gz RWCVOMLAZZVAPC-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC000981812647 696926568 /nfs/dbraw/zinc/92/65/68/696926568.db2.gz RWCVOMLAZZVAPC-KRWDZBQOSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC000981848613 696941998 /nfs/dbraw/zinc/94/19/98/696941998.db2.gz SIJLNHMCECSCTE-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC000981848613 696942000 /nfs/dbraw/zinc/94/20/00/696942000.db2.gz SIJLNHMCECSCTE-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC000981848613 696942002 /nfs/dbraw/zinc/94/20/02/696942002.db2.gz SIJLNHMCECSCTE-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)C1 ZINC000981915130 696967522 /nfs/dbraw/zinc/96/75/22/696967522.db2.gz WQPBRCGWDWYPKI-QGZVFWFLSA-N 2 1 317.477 1.971 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438597 697097628 /nfs/dbraw/zinc/09/76/28/697097628.db2.gz ZOKIEWSKGBNENM-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000981438597 697097631 /nfs/dbraw/zinc/09/76/31/697097631.db2.gz ZOKIEWSKGBNENM-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000981438597 697097634 /nfs/dbraw/zinc/09/76/34/697097634.db2.gz ZOKIEWSKGBNENM-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000981438597 697097636 /nfs/dbraw/zinc/09/76/36/697097636.db2.gz ZOKIEWSKGBNENM-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000986960999 697960293 /nfs/dbraw/zinc/96/02/93/697960293.db2.gz PYEJHJHOYQMRIJ-DZGCQCFKSA-N 2 1 316.405 1.096 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000303877539 698608413 /nfs/dbraw/zinc/60/84/13/698608413.db2.gz IPTOYTMEYWZQQI-HOTGVXAUSA-N 2 1 323.529 1.886 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000303877539 698608417 /nfs/dbraw/zinc/60/84/17/698608417.db2.gz IPTOYTMEYWZQQI-HOTGVXAUSA-N 3 1 323.529 1.886 20 30 DDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000303877539 698608420 /nfs/dbraw/zinc/60/84/20/698608420.db2.gz IPTOYTMEYWZQQI-HOTGVXAUSA-N 3 1 323.529 1.886 20 30 DDEDMP CCOCCCNC(=[NH2+])NCC[N@@H+]1CCc2ccccc2C1 ZINC000303875584 698608519 /nfs/dbraw/zinc/60/85/19/698608519.db2.gz DNIQOZZGLKXPQF-UHFFFAOYSA-N 2 1 304.438 1.376 20 30 DDEDMP CCOCCCNC(=[NH2+])NCC[N@H+]1CCc2ccccc2C1 ZINC000303875584 698608521 /nfs/dbraw/zinc/60/85/21/698608521.db2.gz DNIQOZZGLKXPQF-UHFFFAOYSA-N 2 1 304.438 1.376 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1CC[NH+](CC)CC1 ZINC000304749643 698624356 /nfs/dbraw/zinc/62/43/56/698624356.db2.gz HVWRIXJNMZDZAS-MRXNPFEDSA-N 3 1 309.502 1.497 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC000989451578 698626702 /nfs/dbraw/zinc/62/67/02/698626702.db2.gz UEBRIQZBEPRCNI-UONOGXRCSA-N 2 1 316.405 1.096 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991362022 699306992 /nfs/dbraw/zinc/30/69/92/699306992.db2.gz QCTBEIYDYLVEFX-XLMAVXFVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991362022 699306996 /nfs/dbraw/zinc/30/69/96/699306996.db2.gz QCTBEIYDYLVEFX-XLMAVXFVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991362022 699307000 /nfs/dbraw/zinc/30/70/00/699307000.db2.gz QCTBEIYDYLVEFX-XLMAVXFVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@H]12 ZINC000991362022 699307004 /nfs/dbraw/zinc/30/70/04/699307004.db2.gz QCTBEIYDYLVEFX-XLMAVXFVSA-N 2 1 321.465 1.395 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991859636 699425532 /nfs/dbraw/zinc/42/55/32/699425532.db2.gz JKOIQCZAFGXSSY-DOTOQJQBSA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cn3c[nH+]cc3C)CCC[C@H]12 ZINC000991859636 699425535 /nfs/dbraw/zinc/42/55/35/699425535.db2.gz JKOIQCZAFGXSSY-DOTOQJQBSA-N 2 1 302.422 1.881 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000730105467 699501563 /nfs/dbraw/zinc/50/15/63/699501563.db2.gz JKMXXVUXHDJDAJ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000730105467 699501564 /nfs/dbraw/zinc/50/15/64/699501564.db2.gz JKMXXVUXHDJDAJ-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000732305874 699554832 /nfs/dbraw/zinc/55/48/32/699554832.db2.gz GDZHRSOIVAZBPC-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000732305874 699554833 /nfs/dbraw/zinc/55/48/33/699554833.db2.gz GDZHRSOIVAZBPC-IRXDYDNUSA-N 2 1 307.482 1.957 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCC[C@H]([N@@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801936640 700357697 /nfs/dbraw/zinc/35/76/97/700357697.db2.gz UXVHUZCFHFVBNL-BBWFWOEESA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[NH+]1CCC[C@H]([N@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801936640 700357700 /nfs/dbraw/zinc/35/77/00/700357700.db2.gz UXVHUZCFHFVBNL-BBWFWOEESA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[N@H+]1CCC[C@H]([NH+](C)CCO[C@@H](C)C#N)CC1 ZINC000801936640 700357702 /nfs/dbraw/zinc/35/77/02/700357702.db2.gz UXVHUZCFHFVBNL-BBWFWOEESA-N 2 1 322.453 1.630 20 30 DDEDMP C[C@H](C#N)OCC[N@@H+]1CCC[C@H]([NH+](C)CCO[C@@H](C)C#N)CC1 ZINC000801936640 700357704 /nfs/dbraw/zinc/35/77/04/700357704.db2.gz UXVHUZCFHFVBNL-BBWFWOEESA-N 2 1 322.453 1.630 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000764660323 700981212 /nfs/dbraw/zinc/98/12/12/700981212.db2.gz RKGKKPCKOOHMDN-WMLDXEAASA-N 2 1 301.434 1.741 20 30 DDEDMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3sccc3C#N)CC[C@H]21 ZINC000879569213 706720379 /nfs/dbraw/zinc/72/03/79/706720379.db2.gz LDIYHTBYTARPGH-ZIAGYGMSSA-N 2 1 318.446 1.974 20 30 DDEDMP N#CC1CCC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000849026748 703612644 /nfs/dbraw/zinc/61/26/44/703612644.db2.gz QZFFPAWEKASWRU-UHFFFAOYSA-N 2 1 307.442 1.153 20 30 DDEDMP CCNC(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)=[NH+]CC ZINC000849215222 703625051 /nfs/dbraw/zinc/62/50/51/703625051.db2.gz WBESYHMVXKIKKA-INIZCTEOSA-N 2 1 304.438 1.328 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](C)CC1 ZINC000886573747 708779080 /nfs/dbraw/zinc/77/90/80/708779080.db2.gz VIVVYBANDNUOKQ-WBVHZDCISA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCN(C(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC[NH+](C)CC1 ZINC000886575582 708779871 /nfs/dbraw/zinc/77/98/71/708779871.db2.gz ARGYEVBKMFWATB-HNNXBMFYSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+](CC)C[C@@H]2CC)C1 ZINC000890362953 709836303 /nfs/dbraw/zinc/83/63/03/709836303.db2.gz IZSQHCNHDPPIOV-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)C1 ZINC000890362953 709836309 /nfs/dbraw/zinc/83/63/09/709836309.db2.gz IZSQHCNHDPPIOV-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)C[C@@H]2CC)C1 ZINC000890362953 709836316 /nfs/dbraw/zinc/83/63/16/709836316.db2.gz IZSQHCNHDPPIOV-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](CC)C[C@@H]2CC)C1 ZINC000890362953 709836320 /nfs/dbraw/zinc/83/63/20/709836320.db2.gz IZSQHCNHDPPIOV-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000890368056 709840461 /nfs/dbraw/zinc/84/04/61/709840461.db2.gz ANJIPOWVUVDIJW-ULQDDVLXSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000890368056 709840465 /nfs/dbraw/zinc/84/04/65/709840465.db2.gz ANJIPOWVUVDIJW-ULQDDVLXSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000890368056 709840468 /nfs/dbraw/zinc/84/04/68/709840468.db2.gz ANJIPOWVUVDIJW-ULQDDVLXSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000890368056 709840472 /nfs/dbraw/zinc/84/04/72/709840472.db2.gz ANJIPOWVUVDIJW-ULQDDVLXSA-N 2 1 320.481 1.456 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000901160744 709951532 /nfs/dbraw/zinc/95/15/32/709951532.db2.gz YUYCILMZKMVFHZ-NVXWUHKLSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC1(O)CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000931151841 714016652 /nfs/dbraw/zinc/01/66/52/714016652.db2.gz XBQASIFQPNMRLS-LJQANCHMSA-N 2 1 314.429 1.084 20 30 DDEDMP C#CC1(O)CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000931151841 714016653 /nfs/dbraw/zinc/01/66/53/714016653.db2.gz XBQASIFQPNMRLS-LJQANCHMSA-N 2 1 314.429 1.084 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC000939149124 716152876 /nfs/dbraw/zinc/15/28/76/716152876.db2.gz ZDHTTXKWBLTCPG-CZUORRHYSA-N 2 1 318.421 1.507 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000960292326 716481652 /nfs/dbraw/zinc/48/16/52/716481652.db2.gz VKNCMVUZXRTMGB-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000960292326 716481655 /nfs/dbraw/zinc/48/16/55/716481655.db2.gz VKNCMVUZXRTMGB-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000960292326 716481657 /nfs/dbraw/zinc/48/16/57/716481657.db2.gz VKNCMVUZXRTMGB-XDNAFOTISA-N 2 1 315.461 1.463 20 30 DDEDMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C(C)(C)C1 ZINC000940789745 716960827 /nfs/dbraw/zinc/96/08/27/716960827.db2.gz MMUKKLMQDIXKNF-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940789745 716960830 /nfs/dbraw/zinc/96/08/30/716960830.db2.gz MMUKKLMQDIXKNF-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C(C)(C)C1 ZINC000940789745 716960833 /nfs/dbraw/zinc/96/08/33/716960833.db2.gz MMUKKLMQDIXKNF-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000961564465 717006120 /nfs/dbraw/zinc/00/61/20/717006120.db2.gz IFWIPZZZNGKSBZ-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961564465 717006125 /nfs/dbraw/zinc/00/61/25/717006125.db2.gz IFWIPZZZNGKSBZ-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC000961564465 717006131 /nfs/dbraw/zinc/00/61/31/717006131.db2.gz IFWIPZZZNGKSBZ-MWDXBVQZSA-N 2 1 305.466 1.731 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000940892292 717012409 /nfs/dbraw/zinc/01/24/09/717012409.db2.gz BSEBHWSCYIXBSB-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892292 717012412 /nfs/dbraw/zinc/01/24/12/717012412.db2.gz BSEBHWSCYIXBSB-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892292 717012418 /nfs/dbraw/zinc/01/24/18/717012418.db2.gz BSEBHWSCYIXBSB-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223728 717133475 /nfs/dbraw/zinc/13/34/75/717133475.db2.gz KDZQAFKZOTUQSK-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941223728 717133477 /nfs/dbraw/zinc/13/34/77/717133477.db2.gz KDZQAFKZOTUQSK-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205486 717547032 /nfs/dbraw/zinc/54/70/32/717547032.db2.gz UDFHRSMIEZFDCI-CXAGYDPISA-N 2 1 310.401 1.716 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942208793 717549357 /nfs/dbraw/zinc/54/93/57/717549357.db2.gz RTQGDONXGQGZFW-UKRRQHHQSA-N 2 1 318.421 1.200 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000942208793 717549361 /nfs/dbraw/zinc/54/93/61/717549361.db2.gz RTQGDONXGQGZFW-UKRRQHHQSA-N 2 1 318.421 1.200 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520211 717715197 /nfs/dbraw/zinc/71/51/97/717715197.db2.gz BOCBTUQDOFILIK-HUUCEWRRSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H](C)C1 ZINC000942520211 717715201 /nfs/dbraw/zinc/71/52/01/717715201.db2.gz BOCBTUQDOFILIK-HUUCEWRRSA-N 2 1 316.449 1.775 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC000942581789 717761252 /nfs/dbraw/zinc/76/12/52/717761252.db2.gz MXYQEETXUQSIJC-UKRRQHHQSA-N 2 1 305.422 1.967 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943289963 718068801 /nfs/dbraw/zinc/06/88/01/718068801.db2.gz ULBMNLDQMMFVMH-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000943289963 718068804 /nfs/dbraw/zinc/06/88/04/718068804.db2.gz ULBMNLDQMMFVMH-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944046136 718247131 /nfs/dbraw/zinc/24/71/31/718247131.db2.gz HABJOOGJTRVVKO-MAUKXSAKSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C)C[C@@H]2C)CC1 ZINC000945178188 718414983 /nfs/dbraw/zinc/41/49/83/718414983.db2.gz FHKSXXVKXJWUJG-DOTOQJQBSA-N 2 1 303.450 1.344 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677738 718875613 /nfs/dbraw/zinc/87/56/13/718875613.db2.gz LPFXOLISNCWMNP-CALCHBBNSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]2C1 ZINC000946677738 718875617 /nfs/dbraw/zinc/87/56/17/718875617.db2.gz LPFXOLISNCWMNP-CALCHBBNSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000948269650 719425369 /nfs/dbraw/zinc/42/53/69/719425369.db2.gz PZQBZWZLUFXCSQ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269650 719425371 /nfs/dbraw/zinc/42/53/71/719425371.db2.gz PZQBZWZLUFXCSQ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000948269650 719425374 /nfs/dbraw/zinc/42/53/74/719425374.db2.gz PZQBZWZLUFXCSQ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000948269650 719425376 /nfs/dbraw/zinc/42/53/76/719425376.db2.gz PZQBZWZLUFXCSQ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000948269650 719425377 /nfs/dbraw/zinc/42/53/77/719425377.db2.gz PZQBZWZLUFXCSQ-HOTGVXAUSA-N 2 1 309.454 1.206 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000948373649 719472744 /nfs/dbraw/zinc/47/27/44/719472744.db2.gz NEKJQHCZWCEHGD-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000948449102 719504311 /nfs/dbraw/zinc/50/43/11/719504311.db2.gz NRNMYIZSBMZVHS-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC000948449102 719504315 /nfs/dbraw/zinc/50/43/15/719504315.db2.gz NRNMYIZSBMZVHS-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000948449102 719504319 /nfs/dbraw/zinc/50/43/19/719504319.db2.gz NRNMYIZSBMZVHS-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCC[NH+](C(C)C)CC1 ZINC000948449102 719504323 /nfs/dbraw/zinc/50/43/23/719504323.db2.gz NRNMYIZSBMZVHS-SJORKVTESA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968459865 719598983 /nfs/dbraw/zinc/59/89/83/719598983.db2.gz OTUNXMMAYVNMFU-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC(C)[N@H+](C)Cc1nn(-c2cnc(C#N)cn2)c2c1CC[NH2+]C2 ZINC001164683584 719608357 /nfs/dbraw/zinc/60/83/57/719608357.db2.gz JXJJNGCHQVQFGM-UHFFFAOYSA-N 2 1 311.393 1.020 20 30 DDEDMP CC(C)[N@@H+](C)Cc1nn(-c2cnc(C#N)cn2)c2c1CC[NH2+]C2 ZINC001164683584 719608362 /nfs/dbraw/zinc/60/83/62/719608362.db2.gz JXJJNGCHQVQFGM-UHFFFAOYSA-N 2 1 311.393 1.020 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000968683036 719734931 /nfs/dbraw/zinc/73/49/31/719734931.db2.gz XOXJQFKDJWLBPQ-FUHWJXTLSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000968955482 719896774 /nfs/dbraw/zinc/89/67/74/719896774.db2.gz XDCSLLHAPRLXDR-INIZCTEOSA-N 2 1 310.401 1.942 20 30 DDEDMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000969834345 720526087 /nfs/dbraw/zinc/52/60/87/720526087.db2.gz XYAFWIZDPKWIKN-JKSUJKDBSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C/C=C\Cl)C2)CC1 ZINC000970919076 720988045 /nfs/dbraw/zinc/98/80/45/720988045.db2.gz BGYKPMMXEMDMHV-HJHHMULASA-N 2 1 323.868 1.521 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001025601845 736779796 /nfs/dbraw/zinc/77/97/96/736779796.db2.gz VOAVTBQDQYTPFS-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001020502952 732444753 /nfs/dbraw/zinc/44/47/53/732444753.db2.gz YVLOFBSGEPAEHY-BFYDXBDKSA-N 2 1 303.450 1.654 20 30 DDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001083193507 732597170 /nfs/dbraw/zinc/59/71/70/732597170.db2.gz UWTRFGKPFACZBZ-JKSUJKDBSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001021605456 733363727 /nfs/dbraw/zinc/36/37/27/733363727.db2.gz MCTJJZMWHZOXSM-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001167437518 733501052 /nfs/dbraw/zinc/50/10/52/733501052.db2.gz ATRLEGHLJROOFK-HZPDHXFCSA-N 2 1 303.450 1.513 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1 ZINC001021897544 733651027 /nfs/dbraw/zinc/65/10/27/733651027.db2.gz MHRQPMMPIZESJC-IXDOHACOSA-N 2 1 312.417 1.389 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027930790 738826071 /nfs/dbraw/zinc/82/60/71/738826071.db2.gz VJFWGJRNGWLKFS-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001027930790 738826075 /nfs/dbraw/zinc/82/60/75/738826075.db2.gz VJFWGJRNGWLKFS-CABCVRRESA-N 2 1 300.406 1.364 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023371759 735203707 /nfs/dbraw/zinc/20/37/07/735203707.db2.gz DXKLLXWOXHDYPS-WBVHZDCISA-N 2 1 303.450 1.180 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372266 735203732 /nfs/dbraw/zinc/20/37/32/735203732.db2.gz PYCLOGRNKUFFNV-WBVHZDCISA-N 2 1 305.466 1.733 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023421489 735225406 /nfs/dbraw/zinc/22/54/06/735225406.db2.gz ABSASVRWSBJYGQ-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023421489 735225411 /nfs/dbraw/zinc/22/54/11/735225411.db2.gz ABSASVRWSBJYGQ-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001023421489 735225416 /nfs/dbraw/zinc/22/54/16/735225416.db2.gz ABSASVRWSBJYGQ-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001023421489 735225418 /nfs/dbraw/zinc/22/54/18/735225418.db2.gz ABSASVRWSBJYGQ-ROUUACIJSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001023454299 735245483 /nfs/dbraw/zinc/24/54/83/735245483.db2.gz RIHPYUBLYXRVPR-OAHLLOKOSA-N 2 1 310.401 1.718 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087296861 735970460 /nfs/dbraw/zinc/97/04/60/735970460.db2.gz HJFQLHUZXNKLAO-HYVNUMGLSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cn1c[nH+]cc1C ZINC001087296861 735970462 /nfs/dbraw/zinc/97/04/62/735970462.db2.gz HJFQLHUZXNKLAO-HYVNUMGLSA-N 2 1 314.433 1.430 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001087301959 735983878 /nfs/dbraw/zinc/98/38/78/735983878.db2.gz LLZNZEZCUSZBHZ-IKGGRYGDSA-N 2 1 317.477 1.567 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]12 ZINC001026420044 737518954 /nfs/dbraw/zinc/51/89/54/737518954.db2.gz CPVVHMBEHNPEJE-BZUAXINKSA-N 2 1 302.422 1.594 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001026506667 737623353 /nfs/dbraw/zinc/62/33/53/737623353.db2.gz DZRGOROGKADTJK-YMAMQOFZSA-N 2 1 302.422 1.964 20 30 DDEDMP C=C(Cl)C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001026605863 737694035 /nfs/dbraw/zinc/69/40/35/737694035.db2.gz GVGDVYUPIWZDGP-UHFFFAOYSA-N 2 1 310.829 1.961 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001108164115 751398978 /nfs/dbraw/zinc/39/89/78/751398978.db2.gz UINXRJAQWSCUBL-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001028180909 739129362 /nfs/dbraw/zinc/12/93/62/739129362.db2.gz IRATVADASUICTD-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001028180909 739129365 /nfs/dbraw/zinc/12/93/65/739129365.db2.gz IRATVADASUICTD-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028180909 739129368 /nfs/dbraw/zinc/12/93/68/739129368.db2.gz IRATVADASUICTD-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001028755528 739996080 /nfs/dbraw/zinc/99/60/80/739996080.db2.gz RMNBYWANBOXFGU-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028755528 739996084 /nfs/dbraw/zinc/99/60/84/739996084.db2.gz RMNBYWANBOXFGU-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001028755528 739996086 /nfs/dbraw/zinc/99/60/86/739996086.db2.gz RMNBYWANBOXFGU-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP C=C(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758157 739999164 /nfs/dbraw/zinc/99/91/64/739999164.db2.gz OSHKGAKSMMMIQW-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758157 739999168 /nfs/dbraw/zinc/99/91/68/739999168.db2.gz OSHKGAKSMMMIQW-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758157 739999173 /nfs/dbraw/zinc/99/91/73/739999173.db2.gz OSHKGAKSMMMIQW-CVEARBPZSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700610 740713396 /nfs/dbraw/zinc/71/33/96/740713396.db2.gz ROBCCUCKNJECJX-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H]1CC ZINC001087700610 740713397 /nfs/dbraw/zinc/71/33/97/740713397.db2.gz ROBCCUCKNJECJX-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700610 740713398 /nfs/dbraw/zinc/71/33/98/740713398.db2.gz ROBCCUCKNJECJX-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H]1CC ZINC001087700610 740713399 /nfs/dbraw/zinc/71/33/99/740713399.db2.gz ROBCCUCKNJECJX-GVDBMIGSSA-N 2 1 323.481 1.641 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964082 740890939 /nfs/dbraw/zinc/89/09/39/740890939.db2.gz VQFSSCHTYVVZII-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964082 740890945 /nfs/dbraw/zinc/89/09/45/740890945.db2.gz VQFSSCHTYVVZII-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]2C1 ZINC001087964082 740890951 /nfs/dbraw/zinc/89/09/51/740890951.db2.gz VQFSSCHTYVVZII-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC)CC[C@@H]2C1 ZINC001087998180 740939542 /nfs/dbraw/zinc/93/95/42/740939542.db2.gz VIUZWTWWUNGSIP-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC)CC[C@@H]2C1 ZINC001087998180 740939544 /nfs/dbraw/zinc/93/95/44/740939544.db2.gz VIUZWTWWUNGSIP-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC)CC[C@@H]2C1 ZINC001087998180 740939547 /nfs/dbraw/zinc/93/95/47/740939547.db2.gz VIUZWTWWUNGSIP-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC)CC[C@@H]2C1 ZINC001087998180 740939549 /nfs/dbraw/zinc/93/95/49/740939549.db2.gz VIUZWTWWUNGSIP-IKGGRYGDSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027770 740957970 /nfs/dbraw/zinc/95/79/70/740957970.db2.gz DNWKTTICEZJEIR-SJORKVTESA-N 2 1 322.412 1.752 20 30 DDEDMP C=CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001107982058 751641949 /nfs/dbraw/zinc/64/19/49/751641949.db2.gz OFYUTJPWLZHKKN-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001107982058 751641955 /nfs/dbraw/zinc/64/19/55/751641955.db2.gz OFYUTJPWLZHKKN-AEFFLSMTSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001105577460 742124575 /nfs/dbraw/zinc/12/45/75/742124575.db2.gz VAFJEZJMXBAFDZ-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001002139571 742906523 /nfs/dbraw/zinc/90/65/23/742906523.db2.gz YWJXJPZYRMRIHT-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002139571 742906526 /nfs/dbraw/zinc/90/65/26/742906526.db2.gz YWJXJPZYRMRIHT-INIZCTEOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001035668626 751774181 /nfs/dbraw/zinc/77/41/81/751774181.db2.gz ITVKYVZHYNLBIA-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]3CCCC[N@H+]3C1)CC2 ZINC001035705980 751792384 /nfs/dbraw/zinc/79/23/84/751792384.db2.gz INXLKUUBGMKSRA-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCC)C2)CC1 ZINC001035724460 751814246 /nfs/dbraw/zinc/81/42/46/751814246.db2.gz HQEWWNAMTPELPA-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCC)C2)CC1 ZINC001035724460 751814251 /nfs/dbraw/zinc/81/42/51/751814251.db2.gz HQEWWNAMTPELPA-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181823060 743354694 /nfs/dbraw/zinc/35/46/94/743354694.db2.gz XVNVUGRROPPNTE-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181823060 743354699 /nfs/dbraw/zinc/35/46/99/743354699.db2.gz XVNVUGRROPPNTE-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182472983 743644892 /nfs/dbraw/zinc/64/48/92/743644892.db2.gz MURBLUZYOOQICD-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH2+]C[C@]1(C)CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001183221525 743798974 /nfs/dbraw/zinc/79/89/74/743798974.db2.gz OPBZBXQFQDMYID-SJLPKXTDSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256516 743811037 /nfs/dbraw/zinc/81/10/37/743811037.db2.gz YCOZCPJAMIDFDR-NVXWUHKLSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001184809708 744105277 /nfs/dbraw/zinc/10/52/77/744105277.db2.gz HJHPCOHUQVLSJO-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001185668637 744271913 /nfs/dbraw/zinc/27/19/13/744271913.db2.gz FZEKBOZCVCOJBB-HUUCEWRRSA-N 2 1 302.422 1.521 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)CC2 ZINC001035852586 751924007 /nfs/dbraw/zinc/92/40/07/751924007.db2.gz CYWQCMVPPSRQHS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035852586 751924009 /nfs/dbraw/zinc/92/40/09/751924009.db2.gz CYWQCMVPPSRQHS-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]CC#Cc3ccccc3)C2)C1 ZINC001187817478 744612231 /nfs/dbraw/zinc/61/22/31/744612231.db2.gz FXHKZUNNZNBTKF-ZWKOTPCHSA-N 2 1 311.429 1.180 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C(C)C)CC3)CCC[C@@H]12 ZINC000992365627 744825744 /nfs/dbraw/zinc/82/57/44/744825744.db2.gz CUYTYIPBURBSDO-MJGOQNOKSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC000992496904 744918671 /nfs/dbraw/zinc/91/86/71/744918671.db2.gz OMNXIJLRTDAELV-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC000992496904 744918674 /nfs/dbraw/zinc/91/86/74/744918674.db2.gz OMNXIJLRTDAELV-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992496904 744918678 /nfs/dbraw/zinc/91/86/78/744918678.db2.gz OMNXIJLRTDAELV-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC000992496904 744918681 /nfs/dbraw/zinc/91/86/81/744918681.db2.gz OMNXIJLRTDAELV-JFIYKMOQSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654285 745285516 /nfs/dbraw/zinc/28/55/16/745285516.db2.gz JHUDRRKMHJRIOU-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654285 745285520 /nfs/dbraw/zinc/28/55/20/745285520.db2.gz JHUDRRKMHJRIOU-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654285 745285523 /nfs/dbraw/zinc/28/55/23/745285523.db2.gz JHUDRRKMHJRIOU-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCN1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719177 745345584 /nfs/dbraw/zinc/34/55/84/745345584.db2.gz SEUDNBOGAHIMHF-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001083719177 745345587 /nfs/dbraw/zinc/34/55/87/745345587.db2.gz SEUDNBOGAHIMHF-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719177 745345592 /nfs/dbraw/zinc/34/55/92/745345592.db2.gz SEUDNBOGAHIMHF-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001083719177 745345596 /nfs/dbraw/zinc/34/55/96/745345596.db2.gz SEUDNBOGAHIMHF-IKGGRYGDSA-N 2 1 321.465 1.131 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001191544026 745538317 /nfs/dbraw/zinc/53/83/17/745538317.db2.gz WKWITAAOQXWUBV-IAGOWNOFSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)c2occc2C[NH+](C)C)C1 ZINC001191989666 745660261 /nfs/dbraw/zinc/66/02/61/745660261.db2.gz ZOBROJKPVPCVTO-HNNXBMFYSA-N 2 1 303.406 1.511 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001192160856 745703674 /nfs/dbraw/zinc/70/36/74/745703674.db2.gz FQUNRHZREKNRJR-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001192160856 745703677 /nfs/dbraw/zinc/70/36/77/745703677.db2.gz FQUNRHZREKNRJR-QGZVFWFLSA-N 2 1 314.433 1.543 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240236 745840582 /nfs/dbraw/zinc/84/05/82/745840582.db2.gz PCKJHFAKMFSLGU-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001099240236 745840588 /nfs/dbraw/zinc/84/05/88/745840588.db2.gz PCKJHFAKMFSLGU-IRXDYDNUSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194274783 746314449 /nfs/dbraw/zinc/31/44/49/746314449.db2.gz LJQXNPNDQMIJSX-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194298800 746328526 /nfs/dbraw/zinc/32/85/26/746328526.db2.gz LKEYVWBJWNZPSZ-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298800 746328531 /nfs/dbraw/zinc/32/85/31/746328531.db2.gz LKEYVWBJWNZPSZ-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194298800 746328537 /nfs/dbraw/zinc/32/85/37/746328537.db2.gz LKEYVWBJWNZPSZ-HZPDHXFCSA-N 2 1 323.481 1.377 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001007334498 752101644 /nfs/dbraw/zinc/10/16/44/752101644.db2.gz VHFTVLNSZYQBKP-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196644164 746915326 /nfs/dbraw/zinc/91/53/26/746915326.db2.gz APCPQISLMGGGOR-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC001196644164 746915330 /nfs/dbraw/zinc/91/53/30/746915330.db2.gz APCPQISLMGGGOR-HUUCEWRRSA-N 2 1 320.437 1.134 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001003147171 747013084 /nfs/dbraw/zinc/01/30/84/747013084.db2.gz VVMNJWFQQPWQIC-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197791999 747265745 /nfs/dbraw/zinc/26/57/45/747265745.db2.gz ICVPSOXWLMAJNK-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197791999 747265747 /nfs/dbraw/zinc/26/57/47/747265747.db2.gz ICVPSOXWLMAJNK-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197791999 747265748 /nfs/dbraw/zinc/26/57/48/747265748.db2.gz ICVPSOXWLMAJNK-GVDBMIGSSA-N 2 1 323.481 1.236 20 30 DDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555516 747351082 /nfs/dbraw/zinc/35/10/82/747351082.db2.gz SEUDNBOGAHIMHF-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001077555516 747351087 /nfs/dbraw/zinc/35/10/87/747351087.db2.gz SEUDNBOGAHIMHF-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001077555516 747351091 /nfs/dbraw/zinc/35/10/91/747351091.db2.gz SEUDNBOGAHIMHF-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001077555516 747351095 /nfs/dbraw/zinc/35/10/95/747351095.db2.gz SEUDNBOGAHIMHF-IXDOHACOSA-N 2 1 321.465 1.131 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106905652 747616577 /nfs/dbraw/zinc/61/65/77/747616577.db2.gz BEZUMLITACYYRT-TZMCWYRMSA-N 2 1 301.862 1.765 20 30 DDEDMP C#CCC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492761 752223458 /nfs/dbraw/zinc/22/34/58/752223458.db2.gz GCZGEDZFUORKLF-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492761 752223461 /nfs/dbraw/zinc/22/34/61/752223461.db2.gz GCZGEDZFUORKLF-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492761 752223463 /nfs/dbraw/zinc/22/34/63/752223463.db2.gz GCZGEDZFUORKLF-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)CC[N@H+]1C ZINC001127685756 748149219 /nfs/dbraw/zinc/14/92/19/748149219.db2.gz SLAXNWBCPJUKLU-RHSMWYFYSA-N 2 1 317.408 1.223 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001127691060 748194844 /nfs/dbraw/zinc/19/48/44/748194844.db2.gz ZSYFEWQZXPWQLV-BXUZGUMPSA-N 2 1 306.435 1.166 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201230388 748437536 /nfs/dbraw/zinc/43/75/36/748437536.db2.gz OODBKSJXQMEKRK-BFYDXBDKSA-N 2 1 323.481 1.641 20 30 DDEDMP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201230388 748437540 /nfs/dbraw/zinc/43/75/40/748437540.db2.gz OODBKSJXQMEKRK-BFYDXBDKSA-N 2 1 323.481 1.641 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001033161906 748686759 /nfs/dbraw/zinc/68/67/59/748686759.db2.gz OKSWNXDCUMJASW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033161906 748686764 /nfs/dbraw/zinc/68/67/64/748686764.db2.gz OKSWNXDCUMJASW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033161906 748686770 /nfs/dbraw/zinc/68/67/70/748686770.db2.gz OKSWNXDCUMJASW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCC(C)C)C1 ZINC001033161906 748686776 /nfs/dbraw/zinc/68/67/76/748686776.db2.gz OKSWNXDCUMJASW-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001033353708 749226137 /nfs/dbraw/zinc/22/61/37/749226137.db2.gz JXBIZASPOINWMN-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033353708 749226141 /nfs/dbraw/zinc/22/61/41/749226141.db2.gz JXBIZASPOINWMN-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001033353708 749226147 /nfs/dbraw/zinc/22/61/47/749226147.db2.gz JXBIZASPOINWMN-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995923169 749290809 /nfs/dbraw/zinc/29/08/09/749290809.db2.gz LWSLAGUZEGSAHH-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000995923169 749290814 /nfs/dbraw/zinc/29/08/14/749290814.db2.gz LWSLAGUZEGSAHH-IRXDYDNUSA-N 2 1 317.477 1.711 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1(C)C ZINC000996563523 749690474 /nfs/dbraw/zinc/69/04/74/749690474.db2.gz AHNZEMLBHDIOOT-QAPCUYQASA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001033699303 749732417 /nfs/dbraw/zinc/73/24/17/749732417.db2.gz MHBLPURSOXPTKO-OAHLLOKOSA-N 2 1 317.433 1.901 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546457 750117524 /nfs/dbraw/zinc/11/75/24/750117524.db2.gz CYSIIKJRSDQZHQ-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546457 750117528 /nfs/dbraw/zinc/11/75/28/750117528.db2.gz CYSIIKJRSDQZHQ-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546457 750117532 /nfs/dbraw/zinc/11/75/32/750117532.db2.gz CYSIIKJRSDQZHQ-JFIYKMOQSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)Cc1[nH]cnc1C ZINC001089896425 750159194 /nfs/dbraw/zinc/15/91/94/750159194.db2.gz MOZKPNLDGXWMAC-MPTYRVRUSA-N 2 1 314.433 1.615 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001034015496 750253543 /nfs/dbraw/zinc/25/35/43/750253543.db2.gz HNWTZPKYJBNJRC-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034534495 750536077 /nfs/dbraw/zinc/53/60/77/750536077.db2.gz LIIULVYHDLQEDT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034534495 750536079 /nfs/dbraw/zinc/53/60/79/750536079.db2.gz LIIULVYHDLQEDT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034534495 750536080 /nfs/dbraw/zinc/53/60/80/750536080.db2.gz LIIULVYHDLQEDT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034534495 750536084 /nfs/dbraw/zinc/53/60/84/750536084.db2.gz LIIULVYHDLQEDT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001034539093 750543266 /nfs/dbraw/zinc/54/32/66/750543266.db2.gz VIEKLMFVRQBPAR-GOSISDBHSA-N 2 1 315.461 1.326 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001107948920 750817804 /nfs/dbraw/zinc/81/78/04/750817804.db2.gz BHARPVXYINFTRR-SJLPKXTDSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC1 ZINC001032453434 750872579 /nfs/dbraw/zinc/87/25/79/750872579.db2.gz AFRBHBUDMOHFMA-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC1 ZINC001032453434 750872585 /nfs/dbraw/zinc/87/25/85/750872585.db2.gz AFRBHBUDMOHFMA-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032453434 750872592 /nfs/dbraw/zinc/87/25/92/750872592.db2.gz AFRBHBUDMOHFMA-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032453434 750872599 /nfs/dbraw/zinc/87/25/99/750872599.db2.gz AFRBHBUDMOHFMA-ULQDDVLXSA-N 2 1 301.434 1.169 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035205443 751286673 /nfs/dbraw/zinc/28/66/73/751286673.db2.gz KPAZUXTXPVDCQA-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035205443 751286676 /nfs/dbraw/zinc/28/66/76/751286676.db2.gz KPAZUXTXPVDCQA-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC3(CC[N@H+](CC)C3)CC2)CC1 ZINC001035257081 751335069 /nfs/dbraw/zinc/33/50/69/751335069.db2.gz RQNJSADKVUYUHV-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000999198883 752639034 /nfs/dbraw/zinc/63/90/34/752639034.db2.gz DGVIDICFFYAKEJ-GJZGRUSLSA-N 2 1 302.422 1.610 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009626643 753287570 /nfs/dbraw/zinc/28/75/70/753287570.db2.gz JTCZNZOGTWVFQM-KRWDZBQOSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001009626643 753287575 /nfs/dbraw/zinc/28/75/75/753287575.db2.gz JTCZNZOGTWVFQM-KRWDZBQOSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC(C)C)CC1 ZINC001000787836 762202410 /nfs/dbraw/zinc/20/24/10/762202410.db2.gz KIRDEGIHIDSMIC-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(C)C)CC1 ZINC001000787836 762202418 /nfs/dbraw/zinc/20/24/18/762202418.db2.gz KIRDEGIHIDSMIC-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(C)C)CC1 ZINC001000787836 762202419 /nfs/dbraw/zinc/20/24/19/762202419.db2.gz KIRDEGIHIDSMIC-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(C)C)CC1 ZINC001000787836 762202424 /nfs/dbraw/zinc/20/24/24/762202424.db2.gz KIRDEGIHIDSMIC-KRWDZBQOSA-N 2 1 303.450 1.488 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001000148804 753423281 /nfs/dbraw/zinc/42/32/81/753423281.db2.gz JWJDGWDHGDEJMW-QGZVFWFLSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001108010159 753502666 /nfs/dbraw/zinc/50/26/66/753502666.db2.gz OQTAFGQKPWPCDI-DOTOQJQBSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001000862017 762276596 /nfs/dbraw/zinc/27/65/96/762276596.db2.gz MRPDCJPZRGGOIK-INIZCTEOSA-N 2 1 314.433 1.770 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)c2cc(CN(C)C)on2)CC1 ZINC001000876399 762290136 /nfs/dbraw/zinc/29/01/36/762290136.db2.gz TYPSQEPBCUVVJG-UHFFFAOYSA-N 2 1 304.394 1.284 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001922787 754581606 /nfs/dbraw/zinc/58/16/06/754581606.db2.gz BPDDTDKCGQZMLZ-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001079717420 755544047 /nfs/dbraw/zinc/54/40/47/755544047.db2.gz HWYNEEVAOHRNLF-GDBMZVCRSA-N 2 1 319.453 1.071 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342535 755858497 /nfs/dbraw/zinc/85/84/97/755858497.db2.gz ZNLZAQJRMIDLGL-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001080342535 755858502 /nfs/dbraw/zinc/85/85/02/755858502.db2.gz ZNLZAQJRMIDLGL-UKPHBRMFSA-N 2 1 316.449 1.767 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081883847 756506919 /nfs/dbraw/zinc/50/69/19/756506919.db2.gz YOHYQIJMSODLGH-OWCLPIDISA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001081883847 756506922 /nfs/dbraw/zinc/50/69/22/756506922.db2.gz YOHYQIJMSODLGH-OWCLPIDISA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001081883847 756506925 /nfs/dbraw/zinc/50/69/25/756506925.db2.gz YOHYQIJMSODLGH-OWCLPIDISA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001081883847 756506928 /nfs/dbraw/zinc/50/69/28/756506928.db2.gz YOHYQIJMSODLGH-OWCLPIDISA-N 2 1 309.454 1.108 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254776 756874517 /nfs/dbraw/zinc/87/45/17/756874517.db2.gz KKHKOWGUMXPKHH-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254776 756874525 /nfs/dbraw/zinc/87/45/25/756874525.db2.gz KKHKOWGUMXPKHH-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254776 756874530 /nfs/dbraw/zinc/87/45/30/756874530.db2.gz KKHKOWGUMXPKHH-IRXDYDNUSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001016329517 756930947 /nfs/dbraw/zinc/93/09/47/756930947.db2.gz AXIOUIJZHGMLMX-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001040369309 762510144 /nfs/dbraw/zinc/51/01/44/762510144.db2.gz OJKZQEWYJVQIPM-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654317 757237367 /nfs/dbraw/zinc/23/73/67/757237367.db2.gz GPMDSRRBYDSLNA-SJORKVTESA-N 2 1 317.477 1.568 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001016972101 757520021 /nfs/dbraw/zinc/52/00/21/757520021.db2.gz PHURJRUCWKCJAS-HNNXBMFYSA-N 2 1 302.422 1.738 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701487 757792171 /nfs/dbraw/zinc/79/21/71/757792171.db2.gz FYFNPCHELMEBNY-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084701487 757792177 /nfs/dbraw/zinc/79/21/77/757792177.db2.gz FYFNPCHELMEBNY-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084701487 757792181 /nfs/dbraw/zinc/79/21/81/757792181.db2.gz FYFNPCHELMEBNY-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001084701487 757792190 /nfs/dbraw/zinc/79/21/90/757792190.db2.gz FYFNPCHELMEBNY-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001017557623 758026462 /nfs/dbraw/zinc/02/64/62/758026462.db2.gz UTQXFWPUENSGSI-FGTMMUONSA-N 2 1 317.477 1.970 20 30 DDEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC001040652164 762638610 /nfs/dbraw/zinc/63/86/10/762638610.db2.gz IGYYSBQOJDCYIK-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC001040652164 762638612 /nfs/dbraw/zinc/63/86/12/762638612.db2.gz IGYYSBQOJDCYIK-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CN1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)CO2 ZINC001053822095 758850760 /nfs/dbraw/zinc/85/07/60/758850760.db2.gz GAXCKQFWVPPCQC-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)CO2 ZINC001054017278 759066666 /nfs/dbraw/zinc/06/66/66/759066666.db2.gz UYZHOXQAMLZGJO-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)CO2 ZINC001054017278 759066671 /nfs/dbraw/zinc/06/66/71/759066671.db2.gz UYZHOXQAMLZGJO-HOTGVXAUSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CCC[NH+]1CCC3)C2 ZINC001054159283 759241036 /nfs/dbraw/zinc/24/10/36/759241036.db2.gz JHPPOKGSSZXESE-GOSISDBHSA-N 2 1 315.461 1.563 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001085331838 759271092 /nfs/dbraw/zinc/27/10/92/759271092.db2.gz BLNUDUBMOOEHPD-IIDMSEBBSA-N 2 1 323.456 1.849 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241074 759332370 /nfs/dbraw/zinc/33/23/70/759332370.db2.gz JPQXCIMLFSGYKH-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001054241074 759332376 /nfs/dbraw/zinc/33/23/76/759332376.db2.gz JPQXCIMLFSGYKH-QGZVFWFLSA-N 2 1 300.406 1.139 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081745 761588263 /nfs/dbraw/zinc/58/82/63/761588263.db2.gz XVJLIVGGWZWMED-HZPDHXFCSA-N 2 1 311.470 1.236 20 30 DDEDMP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001000237142 761593607 /nfs/dbraw/zinc/59/36/07/761593607.db2.gz JCUSORNRADVHPR-INIZCTEOSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001039138093 761772278 /nfs/dbraw/zinc/77/22/78/761772278.db2.gz VLEWGEQUWRYQQM-DLBZAZTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040848429 762704318 /nfs/dbraw/zinc/70/43/18/762704318.db2.gz HRNYJCJWBAODCB-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1c[nH+]cc1C)C2 ZINC001108726005 762885824 /nfs/dbraw/zinc/88/58/24/762885824.db2.gz RGBPPDAOVPFXSM-XHSDSOJGSA-N 2 1 300.406 1.184 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001050095670 763127486 /nfs/dbraw/zinc/12/74/86/763127486.db2.gz XWTUFSIMAZUFTL-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001050103713 763139424 /nfs/dbraw/zinc/13/94/24/763139424.db2.gz OPGOWEFCCKOCSK-KSZLIROESA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](O)C1 ZINC001100127025 763159823 /nfs/dbraw/zinc/15/98/23/763159823.db2.gz QSKVJALXKBKYJV-SJORKVTESA-N 2 1 323.481 1.380 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)C1 ZINC001041673736 763213575 /nfs/dbraw/zinc/21/35/75/763213575.db2.gz DDPNWZJEDCRRCH-FUHWJXTLSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC001041679847 763217746 /nfs/dbraw/zinc/21/77/46/763217746.db2.gz PEMNTHJEDCAXEW-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679847 763217756 /nfs/dbraw/zinc/21/77/56/763217756.db2.gz PEMNTHJEDCAXEW-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001041679847 763217764 /nfs/dbraw/zinc/21/77/64/763217764.db2.gz PEMNTHJEDCAXEW-SJLPKXTDSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050202409 763314236 /nfs/dbraw/zinc/31/42/36/763314236.db2.gz NOGDEXYRVMURHQ-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050202409 763314247 /nfs/dbraw/zinc/31/42/47/763314247.db2.gz NOGDEXYRVMURHQ-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@H+](C(C)C)C[C@H]32)CC1 ZINC001050208165 763324275 /nfs/dbraw/zinc/32/42/75/763324275.db2.gz DUGISENMVBSOKG-ZWKOTPCHSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001041844658 763401643 /nfs/dbraw/zinc/40/16/43/763401643.db2.gz CCYHWFHBUUCWRH-PKOBYXMFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001109718852 763972155 /nfs/dbraw/zinc/97/21/55/763972155.db2.gz MKYGPBPLAYFGRC-NCOADZHNSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718852 763972164 /nfs/dbraw/zinc/97/21/64/763972164.db2.gz MKYGPBPLAYFGRC-NCOADZHNSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001109718852 763972170 /nfs/dbraw/zinc/97/21/70/763972170.db2.gz MKYGPBPLAYFGRC-NCOADZHNSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001112578482 764423982 /nfs/dbraw/zinc/42/39/82/764423982.db2.gz QSNTWHUHRCSFSG-RYRKJORJSA-N 2 1 303.450 1.180 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681932 768259241 /nfs/dbraw/zinc/25/92/41/768259241.db2.gz KIILGWLWQARHKW-WMZOPIPTSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001112977340 765078485 /nfs/dbraw/zinc/07/84/85/765078485.db2.gz YOUUYJOHKQXIGO-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001112977340 765078499 /nfs/dbraw/zinc/07/84/99/765078499.db2.gz YOUUYJOHKQXIGO-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131704681 768273074 /nfs/dbraw/zinc/27/30/74/768273074.db2.gz YIQPQXOTNRYLHT-WMZOPIPTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704681 768273076 /nfs/dbraw/zinc/27/30/76/768273076.db2.gz YIQPQXOTNRYLHT-WMZOPIPTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131704681 768273080 /nfs/dbraw/zinc/27/30/80/768273080.db2.gz YIQPQXOTNRYLHT-WMZOPIPTSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052378198 765772883 /nfs/dbraw/zinc/77/28/83/765772883.db2.gz UBJGDSZXWDPPEV-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378198 765772885 /nfs/dbraw/zinc/77/28/85/765772885.db2.gz UBJGDSZXWDPPEV-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052378198 765772888 /nfs/dbraw/zinc/77/28/88/765772888.db2.gz UBJGDSZXWDPPEV-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001052387065 765781264 /nfs/dbraw/zinc/78/12/64/765781264.db2.gz WSCRPVNRKYXYIL-SJORKVTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052386799 765781407 /nfs/dbraw/zinc/78/14/07/765781407.db2.gz SFSPPGSBSNNMMG-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001052527174 765922673 /nfs/dbraw/zinc/92/26/73/765922673.db2.gz SHSDWNVISRUDFC-INIZCTEOSA-N 2 1 303.450 1.609 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001052591079 765977667 /nfs/dbraw/zinc/97/76/67/765977667.db2.gz MQCFFJFBLNAVDV-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052658207 766046796 /nfs/dbraw/zinc/04/67/96/766046796.db2.gz HLYURYXHMRFVKL-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052658207 766046802 /nfs/dbraw/zinc/04/68/02/766046802.db2.gz HLYURYXHMRFVKL-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658207 766046809 /nfs/dbraw/zinc/04/68/09/766046809.db2.gz HLYURYXHMRFVKL-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052658207 766046817 /nfs/dbraw/zinc/04/68/17/766046817.db2.gz HLYURYXHMRFVKL-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001045533842 766383188 /nfs/dbraw/zinc/38/31/88/766383188.db2.gz YQSSCUDCRIMHLW-INIZCTEOSA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001045533842 766383197 /nfs/dbraw/zinc/38/31/97/766383197.db2.gz YQSSCUDCRIMHLW-INIZCTEOSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001045584590 766419838 /nfs/dbraw/zinc/41/98/38/766419838.db2.gz HZKOCSKQJVMMKU-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001045963426 766742864 /nfs/dbraw/zinc/74/28/64/766742864.db2.gz YPQGBAXNPYDHJG-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1)C1CCC1 ZINC001129526614 766915420 /nfs/dbraw/zinc/91/54/20/766915420.db2.gz MAUFGUNWOBNOBV-UHFFFAOYSA-N 2 1 317.408 1.367 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccccc1F ZINC001129771483 766999312 /nfs/dbraw/zinc/99/93/12/766999312.db2.gz YKBMTONUKSIHBD-KRWDZBQOSA-N 2 1 317.408 1.172 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccccc1F ZINC001129771483 766999317 /nfs/dbraw/zinc/99/93/17/766999317.db2.gz YKBMTONUKSIHBD-KRWDZBQOSA-N 2 1 317.408 1.172 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096101222 767631380 /nfs/dbraw/zinc/63/13/80/767631380.db2.gz PVSNZCVRUDZCGP-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001096101222 767631387 /nfs/dbraw/zinc/63/13/87/767631387.db2.gz PVSNZCVRUDZCGP-NCOADZHNSA-N 2 1 303.450 1.606 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613777 767739112 /nfs/dbraw/zinc/73/91/12/767739112.db2.gz GKNROQGEJCAUQQ-MAUKXSAKSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613777 767739115 /nfs/dbraw/zinc/73/91/15/767739115.db2.gz GKNROQGEJCAUQQ-MAUKXSAKSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001047553773 768564730 /nfs/dbraw/zinc/56/47/30/768564730.db2.gz WYMRXCYJOWRUSY-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553773 768564735 /nfs/dbraw/zinc/56/47/35/768564735.db2.gz WYMRXCYJOWRUSY-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001047553773 768564738 /nfs/dbraw/zinc/56/47/38/768564738.db2.gz WYMRXCYJOWRUSY-ULQDDVLXSA-N 2 1 323.481 1.329 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCc2nccn2C)CC[C@@H]1C ZINC001132194704 768664530 /nfs/dbraw/zinc/66/45/30/768664530.db2.gz DBSOHYGFVWTIFC-LSDHHAIUSA-N 2 1 302.422 1.345 20 30 DDEDMP CC#CCN1C[C@H](NC(=O)CCc2nccn2C)CC[C@@H]1C ZINC001132194704 768664534 /nfs/dbraw/zinc/66/45/34/768664534.db2.gz DBSOHYGFVWTIFC-LSDHHAIUSA-N 2 1 302.422 1.345 20 30 DDEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132437120 768860666 /nfs/dbraw/zinc/86/06/66/768860666.db2.gz QGXKKSMXUQPSSW-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[NH+](CC#CCOC)C1 ZINC001132437120 768860677 /nfs/dbraw/zinc/86/06/77/768860677.db2.gz QGXKKSMXUQPSSW-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132437120 768860692 /nfs/dbraw/zinc/86/06/92/768860692.db2.gz QGXKKSMXUQPSSW-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CCC[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132437120 768860708 /nfs/dbraw/zinc/86/07/08/768860708.db2.gz QGXKKSMXUQPSSW-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485106 768911551 /nfs/dbraw/zinc/91/15/51/768911551.db2.gz CKOCJVHBBKRUQZ-ZBFHGGJFSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132485106 768911558 /nfs/dbraw/zinc/91/15/58/768911558.db2.gz CKOCJVHBBKRUQZ-ZBFHGGJFSA-N 2 1 320.437 1.363 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132524388 768945897 /nfs/dbraw/zinc/94/58/97/768945897.db2.gz GQFPROOJZHRCIV-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP C[NH+]1CCC(C(=O)NCC[NH2+]Cc2cc(F)ccc2C#N)CC1 ZINC001133285817 769664980 /nfs/dbraw/zinc/66/49/80/769664980.db2.gz JZYYCUOJTOFPGA-UHFFFAOYSA-N 2 1 318.396 1.245 20 30 DDEDMP C=CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@H]2C1 ZINC001048849675 769984354 /nfs/dbraw/zinc/98/43/54/769984354.db2.gz PJADEAGVONPJSS-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849675 769984359 /nfs/dbraw/zinc/98/43/59/769984359.db2.gz PJADEAGVONPJSS-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@H]2C1 ZINC001048849675 769984362 /nfs/dbraw/zinc/98/43/62/769984362.db2.gz PJADEAGVONPJSS-BBWFWOEESA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)C[C@H]2C1 ZINC001048887789 770052401 /nfs/dbraw/zinc/05/24/01/770052401.db2.gz DINSIIGZQVMOAF-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048887789 770052416 /nfs/dbraw/zinc/05/24/16/770052416.db2.gz DINSIIGZQVMOAF-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C[C@H]2C1 ZINC001048887789 770052425 /nfs/dbraw/zinc/05/24/25/770052425.db2.gz DINSIIGZQVMOAF-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939386 770142786 /nfs/dbraw/zinc/14/27/86/770142786.db2.gz OWWBPWBNVSWLKZ-IYBDPMFKSA-N 2 1 310.401 1.914 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1C ZINC001071895670 770244735 /nfs/dbraw/zinc/24/47/35/770244735.db2.gz AVTOKJGUQZTITH-CRAIPNDOSA-N 2 1 313.445 1.964 20 30 DDEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]CC#Cc2ccc(F)cc2)C1 ZINC001133853853 770340813 /nfs/dbraw/zinc/34/08/13/770340813.db2.gz RBOHJKRNPAPGHZ-OAHLLOKOSA-N 2 1 317.408 1.225 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001049135135 770440130 /nfs/dbraw/zinc/44/01/30/770440130.db2.gz HONOKVTUDUJOJV-IYBDPMFKSA-N 2 1 321.465 1.064 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170990 770493933 /nfs/dbraw/zinc/49/39/33/770493933.db2.gz HFZFWYGTAKIPSA-WCXIOVBPSA-N 2 1 303.450 1.130 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001049392282 770773792 /nfs/dbraw/zinc/77/37/92/770773792.db2.gz XHVYWZVBLXGSBZ-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049464741 770886091 /nfs/dbraw/zinc/88/60/91/770886091.db2.gz OIVUCVWKDQEQKJ-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049464741 770886099 /nfs/dbraw/zinc/88/60/99/770886099.db2.gz OIVUCVWKDQEQKJ-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049464741 770886111 /nfs/dbraw/zinc/88/61/11/770886111.db2.gz OIVUCVWKDQEQKJ-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049505450 770942769 /nfs/dbraw/zinc/94/27/69/770942769.db2.gz OZWBGKUTZUXPKE-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049505450 770942770 /nfs/dbraw/zinc/94/27/70/770942770.db2.gz OZWBGKUTZUXPKE-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049505450 770942771 /nfs/dbraw/zinc/94/27/71/770942771.db2.gz OZWBGKUTZUXPKE-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001049509289 770948138 /nfs/dbraw/zinc/94/81/38/770948138.db2.gz SKCJIAVUNMUPOT-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509289 770948142 /nfs/dbraw/zinc/94/81/42/770948142.db2.gz SKCJIAVUNMUPOT-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001049509289 770948147 /nfs/dbraw/zinc/94/81/47/770948147.db2.gz SKCJIAVUNMUPOT-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001049519805 770968318 /nfs/dbraw/zinc/96/83/18/770968318.db2.gz BFHRGJXPBLEJPT-ZACQAIPSSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001049663075 771063338 /nfs/dbraw/zinc/06/33/38/771063338.db2.gz KTPQNWJFFXZEPX-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001049663075 771063343 /nfs/dbraw/zinc/06/33/43/771063343.db2.gz KTPQNWJFFXZEPX-RCCFBDPRSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049672027 771071887 /nfs/dbraw/zinc/07/18/87/771071887.db2.gz PFNNNHJDSYUADF-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672027 771071892 /nfs/dbraw/zinc/07/18/92/771071892.db2.gz PFNNNHJDSYUADF-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049672027 771071893 /nfs/dbraw/zinc/07/18/93/771071893.db2.gz PFNNNHJDSYUADF-FJIDUMEYSA-N 2 1 317.477 1.805 20 30 DDEDMP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134805624 771185545 /nfs/dbraw/zinc/18/55/45/771185545.db2.gz XLRULORUBLFCFU-CHWSQXEVSA-N 2 1 308.426 1.799 20 30 DDEDMP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001135811772 771733433 /nfs/dbraw/zinc/73/34/33/771733433.db2.gz SSZDAVMJQDBJOA-ZIAGYGMSSA-N 2 1 313.405 1.940 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001091716831 773460060 /nfs/dbraw/zinc/46/00/60/773460060.db2.gz WPOGQQLRYJWPNG-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716831 773460062 /nfs/dbraw/zinc/46/00/62/773460062.db2.gz WPOGQQLRYJWPNG-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001091716831 773460063 /nfs/dbraw/zinc/46/00/63/773460063.db2.gz WPOGQQLRYJWPNG-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H]1C ZINC001074658804 774053030 /nfs/dbraw/zinc/05/30/30/774053030.db2.gz BWYBPFPNECCWQN-ILXRZTDVSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001092690081 774233208 /nfs/dbraw/zinc/23/32/08/774233208.db2.gz ZYVGBPHWJQAZMO-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001092690081 774233216 /nfs/dbraw/zinc/23/32/16/774233216.db2.gz ZYVGBPHWJQAZMO-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001092690081 774233221 /nfs/dbraw/zinc/23/32/21/774233221.db2.gz ZYVGBPHWJQAZMO-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CC2)C[C@H]1C ZINC001092690081 774233225 /nfs/dbraw/zinc/23/32/25/774233225.db2.gz ZYVGBPHWJQAZMO-NXHRZFHOSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092918326 774301738 /nfs/dbraw/zinc/30/17/38/774301738.db2.gz FBEJLTPVQYBUIA-UKRRQHHQSA-N 2 1 303.406 1.272 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC[C@@H]21 ZINC001036738026 774432721 /nfs/dbraw/zinc/43/27/21/774432721.db2.gz ZSRNNUBVDBJPLW-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036738026 774432724 /nfs/dbraw/zinc/43/27/24/774432724.db2.gz ZSRNNUBVDBJPLW-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001036738026 774432728 /nfs/dbraw/zinc/43/27/28/774432728.db2.gz ZSRNNUBVDBJPLW-WBVHZDCISA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036773920 774569693 /nfs/dbraw/zinc/56/96/93/774569693.db2.gz VYIIZEHOTAOFQR-MAUKXSAKSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099199991 774897655 /nfs/dbraw/zinc/89/76/55/774897655.db2.gz ULGVPSXTDARCQH-INIZCTEOSA-N 2 1 307.482 1.958 20 30 DDEDMP C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340600 774952554 /nfs/dbraw/zinc/95/25/54/774952554.db2.gz WFVDSGPYVWOOPH-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340600 774952555 /nfs/dbraw/zinc/95/25/55/774952555.db2.gz WFVDSGPYVWOOPH-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036871683 775010004 /nfs/dbraw/zinc/01/00/04/775010004.db2.gz ORFMDGLPMLUGBM-DLBZAZTESA-N 2 1 317.477 1.971 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099518573 775014301 /nfs/dbraw/zinc/01/43/01/775014301.db2.gz BABVYHQBEAEAFX-FJIDUMEYSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529560 775019031 /nfs/dbraw/zinc/01/90/31/775019031.db2.gz SGCLMKFCLXRWAC-NXOAAHMSSA-N 2 1 305.466 1.683 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@H](O)C1 ZINC001099936869 775445221 /nfs/dbraw/zinc/44/52/21/775445221.db2.gz FTPGNAOXFHTZON-JKSUJKDBSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171629334 776354660 /nfs/dbraw/zinc/35/46/60/776354660.db2.gz LKHXBUBNAOTJGI-ZDUSSCGKSA-N 2 1 308.426 1.800 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001100615030 776367457 /nfs/dbraw/zinc/36/74/57/776367457.db2.gz MIKWDHZQGCNZKZ-HWOWSKLDSA-N 2 1 314.433 1.262 20 30 DDEDMP CC(C)(C)OC(=O)N1CC[C@H](n2c[nH+]cc2CC[NH3+])C[C@H]1C#N ZINC001172965887 776944897 /nfs/dbraw/zinc/94/48/97/776944897.db2.gz KBZNFMHTPLVSNQ-JSGCOSHPSA-N 2 1 319.409 1.848 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001095000387 776970666 /nfs/dbraw/zinc/97/06/66/776970666.db2.gz ZJEMNXKPHQDAEM-XHSDSOJGSA-N 2 1 303.450 1.321 20 30 DDEDMP CC#CC[NH2+]CC(C)(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001101594469 777286027 /nfs/dbraw/zinc/28/60/27/777286027.db2.gz DJROSOAZNUOOEK-MRXNPFEDSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001150334385 777421942 /nfs/dbraw/zinc/42/19/42/777421942.db2.gz VYDZHRXAVRGOOP-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150334385 777421947 /nfs/dbraw/zinc/42/19/47/777421947.db2.gz VYDZHRXAVRGOOP-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001150334385 777421954 /nfs/dbraw/zinc/42/19/54/777421954.db2.gz VYDZHRXAVRGOOP-MRXNPFEDSA-N 2 1 323.481 1.195 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102048406 777833731 /nfs/dbraw/zinc/83/37/31/777833731.db2.gz AHVOEFRWEPXFLN-OIISXLGYSA-N 2 1 307.482 1.977 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1cc(C#N)ccc1F ZINC001176971578 778357915 /nfs/dbraw/zinc/35/79/15/778357915.db2.gz DOHUAFDBAPTLGY-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001177150212 778462307 /nfs/dbraw/zinc/46/23/07/778462307.db2.gz JHCOMDGUQZHJOJ-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001177150212 778462310 /nfs/dbraw/zinc/46/23/10/778462310.db2.gz JHCOMDGUQZHJOJ-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1C ZINC001178891444 779212218 /nfs/dbraw/zinc/21/22/18/779212218.db2.gz SXKNVWMJZFEPSN-SOUVJXGZSA-N 2 1 300.406 1.363 20 30 DDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001103998239 779232414 /nfs/dbraw/zinc/23/24/14/779232414.db2.gz OJRXVOSVBFCCCA-YUELXQCFSA-N 2 1 313.873 1.907 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111938171 779570973 /nfs/dbraw/zinc/57/09/73/779570973.db2.gz OKIWJKZUBDRBGR-RDJZCZTQSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001266431368 836244311 /nfs/dbraw/zinc/24/43/11/836244311.db2.gz NJAZOMDWWSKOGU-RHSMWYFYSA-N 2 1 309.429 1.317 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC001266431369 836244485 /nfs/dbraw/zinc/24/44/85/836244485.db2.gz NJAZOMDWWSKOGU-WMLDXEAASA-N 2 1 309.429 1.317 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001266469390 836308582 /nfs/dbraw/zinc/30/85/82/836308582.db2.gz KQRXAACCHDIJIN-HNNXBMFYSA-N 2 1 320.437 1.325 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC(=C)C)C2CC2)CC1 ZINC001266621579 836550232 /nfs/dbraw/zinc/55/02/32/836550232.db2.gz GPIQBSPYBYAWFP-UHFFFAOYSA-N 2 1 303.450 1.488 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266753048 836781210 /nfs/dbraw/zinc/78/12/10/836781210.db2.gz ZRVIUPZYLUWCDL-IRXDYDNUSA-N 2 1 323.481 1.051 20 30 DDEDMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001266984053 837148688 /nfs/dbraw/zinc/14/86/88/837148688.db2.gz UDPKSUZWCDTKDP-DOTOQJQBSA-N 2 1 301.434 1.797 20 30 DDEDMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC#Cc1ccccc1 ZINC001266985633 837151307 /nfs/dbraw/zinc/15/13/07/837151307.db2.gz NTMSOHCMVXWJAB-FUHWJXTLSA-N 2 1 313.445 1.474 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001271995606 844279805 /nfs/dbraw/zinc/27/98/05/844279805.db2.gz BSMYIEQTXSZFLX-GOSISDBHSA-N 2 1 323.481 1.382 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267617485 838494833 /nfs/dbraw/zinc/49/48/33/838494833.db2.gz NMLDGLGDFNFVLZ-HZPDHXFCSA-N 2 1 311.470 1.356 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001267764479 838903457 /nfs/dbraw/zinc/90/34/57/838903457.db2.gz VSVBKLJQCKUVES-IXDOHACOSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267764479 838903462 /nfs/dbraw/zinc/90/34/62/838903462.db2.gz VSVBKLJQCKUVES-IXDOHACOSA-N 2 1 323.481 1.452 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001267764479 838903467 /nfs/dbraw/zinc/90/34/67/838903467.db2.gz VSVBKLJQCKUVES-IXDOHACOSA-N 2 1 323.481 1.452 20 30 DDEDMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001267820440 839027752 /nfs/dbraw/zinc/02/77/52/839027752.db2.gz QVRGJJFHUOKASS-WMLDXEAASA-N 2 1 311.445 1.707 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCOC)CC1 ZINC001267926502 839206447 /nfs/dbraw/zinc/20/64/47/839206447.db2.gz RKFOEFQJXXOPGR-ULQDDVLXSA-N 2 1 321.465 1.138 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCOC)CC1 ZINC001267926502 839206456 /nfs/dbraw/zinc/20/64/56/839206456.db2.gz RKFOEFQJXXOPGR-ULQDDVLXSA-N 2 1 321.465 1.138 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001268027150 839432454 /nfs/dbraw/zinc/43/24/54/839432454.db2.gz ZPOFLAPFIJUADI-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268027150 839432458 /nfs/dbraw/zinc/43/24/58/839432458.db2.gz ZPOFLAPFIJUADI-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268027150 839432462 /nfs/dbraw/zinc/43/24/62/839432462.db2.gz ZPOFLAPFIJUADI-WBVHZDCISA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268322423 839999064 /nfs/dbraw/zinc/99/90/64/839999064.db2.gz DWBZSBIJEDDNTH-HOTGVXAUSA-N 2 1 311.470 1.282 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001272085206 844572974 /nfs/dbraw/zinc/57/29/74/844572974.db2.gz JLIGAILRSUNBJW-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001272085206 844572978 /nfs/dbraw/zinc/57/29/78/844572978.db2.gz JLIGAILRSUNBJW-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001272085206 844572984 /nfs/dbraw/zinc/57/29/84/844572984.db2.gz JLIGAILRSUNBJW-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001272091433 844589811 /nfs/dbraw/zinc/58/98/11/844589811.db2.gz TYDYCQVUDXZUTE-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001269239473 841402484 /nfs/dbraw/zinc/40/24/84/841402484.db2.gz AEFXQWUIWZPQFJ-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC(C)C)C1 ZINC001269742050 841996069 /nfs/dbraw/zinc/99/60/69/841996069.db2.gz QYLOHSKQJIBIAW-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC(C)C)C1 ZINC001269742050 841996073 /nfs/dbraw/zinc/99/60/73/841996073.db2.gz QYLOHSKQJIBIAW-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001270752895 842878472 /nfs/dbraw/zinc/87/84/72/842878472.db2.gz RCMTTZOLSKHDSM-KRWDZBQOSA-N 2 1 320.437 1.754 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCOCC1 ZINC001271072483 843183966 /nfs/dbraw/zinc/18/39/66/843183966.db2.gz AOYFNYCDWGWHNK-UHFFFAOYSA-N 2 1 320.437 1.413 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001034271763 848218369 /nfs/dbraw/zinc/21/83/69/848218369.db2.gz JFJGMLHQTWLKOJ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001034271763 848218376 /nfs/dbraw/zinc/21/83/76/848218376.db2.gz JFJGMLHQTWLKOJ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271763 848218388 /nfs/dbraw/zinc/21/83/88/848218388.db2.gz JFJGMLHQTWLKOJ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001034271763 848218397 /nfs/dbraw/zinc/21/83/97/848218397.db2.gz JFJGMLHQTWLKOJ-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398719 848464147 /nfs/dbraw/zinc/46/41/47/848464147.db2.gz POMVFQMWTLAMCO-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001034398719 848464124 /nfs/dbraw/zinc/46/41/24/848464124.db2.gz POMVFQMWTLAMCO-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH+]1CCCC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001034398719 848464130 /nfs/dbraw/zinc/46/41/30/848464130.db2.gz POMVFQMWTLAMCO-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[N@H+]1CCCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034398719 848464138 /nfs/dbraw/zinc/46/41/38/848464138.db2.gz POMVFQMWTLAMCO-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001273144251 848565091 /nfs/dbraw/zinc/56/50/91/848565091.db2.gz OLUDVZCKYDZFCS-WMZOPIPTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001273144251 848565098 /nfs/dbraw/zinc/56/50/98/848565098.db2.gz OLUDVZCKYDZFCS-WMZOPIPTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001273144251 848565104 /nfs/dbraw/zinc/56/51/04/848565104.db2.gz OLUDVZCKYDZFCS-WMZOPIPTSA-N 2 1 321.465 1.065 20 30 DDEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001273144251 848565109 /nfs/dbraw/zinc/56/51/09/848565109.db2.gz OLUDVZCKYDZFCS-WMZOPIPTSA-N 2 1 321.465 1.065 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCC1 ZINC001273154791 848589895 /nfs/dbraw/zinc/58/98/95/848589895.db2.gz RPRRGMQAQNRXTD-SFHVURJKSA-N 2 1 323.456 1.851 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150218306 862144515 /nfs/dbraw/zinc/14/45/15/862144515.db2.gz HMDYLIYTIRCBNF-KRWDZBQOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241741 862152884 /nfs/dbraw/zinc/15/28/84/862152884.db2.gz REHSYUFLFIDRGN-HOTGVXAUSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)CC[N@@H+](C)CC)CCO2 ZINC001273637389 851173508 /nfs/dbraw/zinc/17/35/08/851173508.db2.gz QTYBMKCLTHXTQT-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001273637389 851173513 /nfs/dbraw/zinc/17/35/13/851173513.db2.gz QTYBMKCLTHXTQT-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559568 862228794 /nfs/dbraw/zinc/22/87/94/862228794.db2.gz TWQMNRYMDOZJRI-OAHLLOKOSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001155559568 862228813 /nfs/dbraw/zinc/22/88/13/862228813.db2.gz TWQMNRYMDOZJRI-OAHLLOKOSA-N 2 1 304.438 1.856 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001150490037 862273671 /nfs/dbraw/zinc/27/36/71/862273671.db2.gz TZQWWWSZTDAJJU-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[NH2+]CC1(O)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001274521817 852358509 /nfs/dbraw/zinc/35/85/09/852358509.db2.gz YKQIZWSKEYYXST-UHFFFAOYSA-N 2 1 320.437 1.252 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCOC)CC1 ZINC001275608884 853430200 /nfs/dbraw/zinc/43/02/00/853430200.db2.gz HQGJGOCWHXMNND-JCYILVPMSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCOC)CC1 ZINC001275608884 853430207 /nfs/dbraw/zinc/43/02/07/853430207.db2.gz HQGJGOCWHXMNND-JCYILVPMSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CCC[NH2+]CC1(NC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC001276207661 854968281 /nfs/dbraw/zinc/96/82/81/854968281.db2.gz DNIBTPXUPYAEOC-UHFFFAOYSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073026118 858015380 /nfs/dbraw/zinc/01/53/80/858015380.db2.gz RMALDJKOVHFYCE-UHFFFAOYSA-N 2 1 300.406 1.174 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)C2)C1 ZINC001073026118 858015391 /nfs/dbraw/zinc/01/53/91/858015391.db2.gz RMALDJKOVHFYCE-UHFFFAOYSA-N 2 1 300.406 1.174 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001073125936 858121101 /nfs/dbraw/zinc/12/11/01/858121101.db2.gz OVXOZTDNPDZNHS-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454581 858351069 /nfs/dbraw/zinc/35/10/69/858351069.db2.gz OIIUKZNNHPMKNI-HOTGVXAUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCn1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cn1 ZINC001139771735 860478272 /nfs/dbraw/zinc/47/82/72/860478272.db2.gz NCDZOTYEJRCFLD-DLBZAZTESA-N 2 1 303.454 1.279 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C12CCC2 ZINC001203044258 860650410 /nfs/dbraw/zinc/65/04/10/860650410.db2.gz ISTMNXZXZVVJJI-HZPDHXFCSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CC[N@@H+](C)CCN(CC)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001156671977 863250942 /nfs/dbraw/zinc/25/09/42/863250942.db2.gz ABPYBRREZGTCOX-UHFFFAOYSA-N 2 1 320.437 1.850 20 30 DDEDMP C=CC[N@H+](C)CCN(CC)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001156671977 863250954 /nfs/dbraw/zinc/25/09/54/863250954.db2.gz ABPYBRREZGTCOX-UHFFFAOYSA-N 2 1 320.437 1.850 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)CC1CCC1 ZINC001153867612 864180090 /nfs/dbraw/zinc/18/00/90/864180090.db2.gz BLFJEGLTKKHROA-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001153867612 864180099 /nfs/dbraw/zinc/18/00/99/864180099.db2.gz BLFJEGLTKKHROA-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCC1 ZINC001153867612 864180115 /nfs/dbraw/zinc/18/01/15/864180115.db2.gz BLFJEGLTKKHROA-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)CC1CCC1 ZINC001153867612 864180125 /nfs/dbraw/zinc/18/01/25/864180125.db2.gz BLFJEGLTKKHROA-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001331267846 864978050 /nfs/dbraw/zinc/97/80/50/864978050.db2.gz JMKLGZXHBIIOBV-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001331267846 864978055 /nfs/dbraw/zinc/97/80/55/864978055.db2.gz JMKLGZXHBIIOBV-HZPDHXFCSA-N 2 1 309.454 1.110 20 30 DDEDMP N#Cc1ccc(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)s1 ZINC001159177035 865147328 /nfs/dbraw/zinc/14/73/28/865147328.db2.gz MOMIXJZVQOLMLR-UHFFFAOYSA-N 2 1 314.418 1.949 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001319710156 866240933 /nfs/dbraw/zinc/24/09/33/866240933.db2.gz SAITZWANQFNQQD-CVEARBPZSA-N 2 1 316.449 1.856 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001161033654 866296481 /nfs/dbraw/zinc/29/64/81/866296481.db2.gz WVANTYKPBJIDFM-LBPRGKRZSA-N 2 1 318.259 1.475 20 30 DDEDMP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001319820752 866315601 /nfs/dbraw/zinc/31/56/01/866315601.db2.gz OYYBKVPMJWHORE-CVEARBPZSA-N 2 1 307.482 1.814 20 30 DDEDMP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320046177 866445927 /nfs/dbraw/zinc/44/59/27/866445927.db2.gz CBEGCCYZTVHTDJ-HNNXBMFYSA-N 2 1 304.438 1.720 20 30 DDEDMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001320046177 866445929 /nfs/dbraw/zinc/44/59/29/866445929.db2.gz CBEGCCYZTVHTDJ-HNNXBMFYSA-N 2 1 304.438 1.720 20 30 DDEDMP COCC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001320474921 866766357 /nfs/dbraw/zinc/76/63/57/866766357.db2.gz VQKYKQBHWVPHOI-IRXDYDNUSA-N 2 1 323.481 1.241 20 30 DDEDMP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001323733760 866804409 /nfs/dbraw/zinc/80/44/09/866804409.db2.gz MFMWNFXRPIRWSY-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001323733760 866804427 /nfs/dbraw/zinc/80/44/27/866804427.db2.gz MFMWNFXRPIRWSY-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001323733760 866804447 /nfs/dbraw/zinc/80/44/47/866804447.db2.gz MFMWNFXRPIRWSY-GOSISDBHSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001324705074 867463328 /nfs/dbraw/zinc/46/33/28/867463328.db2.gz BFVFSSBMAYBKDT-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001324705074 867463342 /nfs/dbraw/zinc/46/33/42/867463342.db2.gz BFVFSSBMAYBKDT-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001164531500 869263599 /nfs/dbraw/zinc/26/35/99/869263599.db2.gz KYBQPDXDPZGOHV-JKSUJKDBSA-N 2 1 303.450 1.370 20 30 DDEDMP C=CCOCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001165270770 869481864 /nfs/dbraw/zinc/48/18/64/869481864.db2.gz HCKBWLOBSPGXPJ-HNNXBMFYSA-N 2 1 320.437 1.052 20 30 DDEDMP Cc1[nH+]cc2n1CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)C2 ZINC001165384406 869557383 /nfs/dbraw/zinc/55/73/83/869557383.db2.gz GURIGWXMHWWVEQ-UHFFFAOYSA-N 2 1 308.389 1.514 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001165485586 869615844 /nfs/dbraw/zinc/61/58/44/869615844.db2.gz ZOMAQDDKWNRVKF-CQSZACIVSA-N 2 1 302.422 1.823 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](F)CC)CC1 ZINC001165545119 869636454 /nfs/dbraw/zinc/63/64/54/869636454.db2.gz COCGQRQXHWTKHL-CVEARBPZSA-N 2 1 323.456 1.708 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]C[C@H](F)CC)CC1 ZINC001165545119 869636461 /nfs/dbraw/zinc/63/64/61/869636461.db2.gz COCGQRQXHWTKHL-CVEARBPZSA-N 2 1 323.456 1.708 20 30 DDEDMP C=CC[NH2+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001166870046 870332396 /nfs/dbraw/zinc/33/23/96/870332396.db2.gz RFCIUDBLJDZYFI-OAHLLOKOSA-N 2 1 316.449 1.816 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001317256302 870544618 /nfs/dbraw/zinc/54/46/18/870544618.db2.gz KZIHMKYAPAFIIV-YOEHRIQHSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001317256302 870544626 /nfs/dbraw/zinc/54/46/26/870544626.db2.gz KZIHMKYAPAFIIV-YOEHRIQHSA-N 2 1 317.408 1.518 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+](CCC)CCC)C1 ZINC001226430512 882427241 /nfs/dbraw/zinc/42/72/41/882427241.db2.gz UOGRXEVWAPMNGE-QGZVFWFLSA-N 2 1 322.497 1.895 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+](CCC)CCC)C1 ZINC001226430512 882427248 /nfs/dbraw/zinc/42/72/48/882427248.db2.gz UOGRXEVWAPMNGE-QGZVFWFLSA-N 2 1 322.497 1.895 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C12CCC2 ZINC001203640470 870692265 /nfs/dbraw/zinc/69/22/65/870692265.db2.gz CGPOSIUUTVTKOE-HZPDHXFCSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317424905 870809119 /nfs/dbraw/zinc/80/91/19/870809119.db2.gz XLFKDAKUVSQWLB-DLBZAZTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C[C@H](CC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001340943406 871434745 /nfs/dbraw/zinc/43/47/45/871434745.db2.gz TUOADUCHFCMRDJ-OAHLLOKOSA-N 2 1 301.434 1.886 20 30 DDEDMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001317728601 871446195 /nfs/dbraw/zinc/44/61/95/871446195.db2.gz OCYQCVJPPIFQTB-KRWDZBQOSA-N 2 1 301.434 1.797 20 30 DDEDMP C=C(C)CC[NH+]1CCN(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001316973167 871877104 /nfs/dbraw/zinc/87/71/04/871877104.db2.gz ZDWDNRLGCLDTHD-QGZVFWFLSA-N 2 1 322.497 1.028 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001206005964 871988574 /nfs/dbraw/zinc/98/85/74/871988574.db2.gz FTADEUVPERPWFG-KRWDZBQOSA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001206549282 872430989 /nfs/dbraw/zinc/43/09/89/872430989.db2.gz YTCDYAMDTDFZLE-DLBZAZTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCC1 ZINC001319362820 872597083 /nfs/dbraw/zinc/59/70/83/872597083.db2.gz YYEUYKZNVGPTTG-KRWDZBQOSA-N 2 1 317.477 1.903 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC2)CCCC1 ZINC001319362820 872597097 /nfs/dbraw/zinc/59/70/97/872597097.db2.gz YYEUYKZNVGPTTG-KRWDZBQOSA-N 2 1 317.477 1.903 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCC1 ZINC001319362119 872597423 /nfs/dbraw/zinc/59/74/23/872597423.db2.gz RDIIHPWNZSKDKB-HOTGVXAUSA-N 2 1 323.456 1.851 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](F)CC)CCCC1 ZINC001319362119 872597431 /nfs/dbraw/zinc/59/74/31/872597431.db2.gz RDIIHPWNZSKDKB-HOTGVXAUSA-N 2 1 323.456 1.851 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C#N)cc1O ZINC001276494627 872614254 /nfs/dbraw/zinc/61/42/54/872614254.db2.gz XWVYWAAVUHOZDY-IRXDYDNUSA-N 2 1 314.433 1.474 20 30 DDEDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(C#N)cc1O ZINC001276494627 872614265 /nfs/dbraw/zinc/61/42/65/872614265.db2.gz XWVYWAAVUHOZDY-IRXDYDNUSA-N 2 1 314.433 1.474 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226773739 882643328 /nfs/dbraw/zinc/64/33/28/882643328.db2.gz IURYAJYPFCHRAZ-OAGGEKHMSA-N 2 1 314.433 1.801 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226859898 882692132 /nfs/dbraw/zinc/69/21/32/882692132.db2.gz FCGYDANZLCSKHG-MSFSSZRUSA-N 2 1 323.868 1.854 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl ZINC001226859898 882692142 /nfs/dbraw/zinc/69/21/42/882692142.db2.gz FCGYDANZLCSKHG-MSFSSZRUSA-N 2 1 323.868 1.854 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001207583515 873404648 /nfs/dbraw/zinc/40/46/48/873404648.db2.gz WIDVMWHJKJEJGP-ZACQAIPSSA-N 2 1 323.456 1.660 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001207617732 873419449 /nfs/dbraw/zinc/41/94/49/873419449.db2.gz XTWSJLSGWGMGDI-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001207617732 873419456 /nfs/dbraw/zinc/41/94/56/873419456.db2.gz XTWSJLSGWGMGDI-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001207617732 873419460 /nfs/dbraw/zinc/41/94/60/873419460.db2.gz XTWSJLSGWGMGDI-IXDOHACOSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001208362155 874062811 /nfs/dbraw/zinc/06/28/11/874062811.db2.gz LGIRXUSMPDCTMA-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001208467366 874165637 /nfs/dbraw/zinc/16/56/37/874165637.db2.gz KNVMXJURLHGDJG-CQSZACIVSA-N 2 1 320.437 1.897 20 30 DDEDMP C=CCC[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576893 874281760 /nfs/dbraw/zinc/28/17/60/874281760.db2.gz SRGFVHLPNHYRQL-HNNXBMFYSA-N 2 1 316.449 1.919 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001208607528 874313060 /nfs/dbraw/zinc/31/30/60/874313060.db2.gz BIUCWYAVOOZRRO-QGZVFWFLSA-N 2 1 313.449 1.807 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001208607528 874313075 /nfs/dbraw/zinc/31/30/75/874313075.db2.gz BIUCWYAVOOZRRO-QGZVFWFLSA-N 2 1 313.449 1.807 20 30 DDEDMP C[NH+]1CCC[C@@H](C[N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001208607528 874313090 /nfs/dbraw/zinc/31/30/90/874313090.db2.gz BIUCWYAVOOZRRO-QGZVFWFLSA-N 2 1 313.449 1.807 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001209206108 874730795 /nfs/dbraw/zinc/73/07/95/874730795.db2.gz XQQXJNWARXMKFZ-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209642982 875033795 /nfs/dbraw/zinc/03/37/95/875033795.db2.gz QVYYERCGLNABKA-CVEARBPZSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209643708 875034065 /nfs/dbraw/zinc/03/40/65/875034065.db2.gz VSGBEGHLCRAKEH-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374898 875778669 /nfs/dbraw/zinc/77/86/69/875778669.db2.gz RYXPCODRXIACQU-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001211374898 875778674 /nfs/dbraw/zinc/77/86/74/875778674.db2.gz RYXPCODRXIACQU-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213438153 875938981 /nfs/dbraw/zinc/93/89/81/875938981.db2.gz QICBMGZOLMADMM-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213438153 875938985 /nfs/dbraw/zinc/93/89/85/875938985.db2.gz QICBMGZOLMADMM-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H](OC)C1 ZINC001213438153 875938991 /nfs/dbraw/zinc/93/89/91/875938991.db2.gz QICBMGZOLMADMM-ARFHVFGLSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213725877 876034703 /nfs/dbraw/zinc/03/47/03/876034703.db2.gz LUDZNPNNROOQTK-BZUAXINKSA-N 2 1 321.465 1.252 20 30 DDEDMP C=CCCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001227464915 883031411 /nfs/dbraw/zinc/03/14/11/883031411.db2.gz VOSIPCARYCGHMV-DLBZAZTESA-N 2 1 321.465 1.396 20 30 DDEDMP C#CC[NH2+]CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001353842460 877604361 /nfs/dbraw/zinc/60/43/61/877604361.db2.gz CKDQIACZCGCXEE-KRWDZBQOSA-N 2 1 315.417 1.171 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230677 878838354 /nfs/dbraw/zinc/83/83/54/878838354.db2.gz NRDHNCNIQFQNIJ-CVEARBPZSA-N 2 1 323.481 1.236 20 30 DDEDMP N#Cc1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(Cl)c1 ZINC001222510589 880527303 /nfs/dbraw/zinc/52/73/03/880527303.db2.gz AGRZDOXHGARXJU-HOTGVXAUSA-N 2 1 304.825 1.737 20 30 DDEDMP C=CC[NH+](CCCNC(=O)C[N@H+](C)C(C)C)Cc1cccnc1 ZINC001230931789 885056744 /nfs/dbraw/zinc/05/67/44/885056744.db2.gz FYQQHLDKJQFGBH-UHFFFAOYSA-N 2 1 318.465 1.916 20 30 DDEDMP C=CC[N@@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230931789 885056757 /nfs/dbraw/zinc/05/67/57/885056757.db2.gz FYQQHLDKJQFGBH-UHFFFAOYSA-N 2 1 318.465 1.916 20 30 DDEDMP C=CC[N@H+](CCCNC(=O)C[NH+](C)C(C)C)Cc1cccnc1 ZINC001230931789 885056774 /nfs/dbraw/zinc/05/67/74/885056774.db2.gz FYQQHLDKJQFGBH-UHFFFAOYSA-N 2 1 318.465 1.916 20 30 DDEDMP C[C@@H](NC(=O)NCC#CC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001233954240 887494340 /nfs/dbraw/zinc/49/43/40/887494340.db2.gz SXBYKARDRDFKMA-CVEARBPZSA-N 2 1 320.481 1.504 20 30 DDEDMP C=CCOCCN1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001235003619 888326085 /nfs/dbraw/zinc/32/60/85/888326085.db2.gz FYHXUJUNQBODRB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001235003619 888326103 /nfs/dbraw/zinc/32/61/03/888326103.db2.gz FYHXUJUNQBODRB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001235003619 888326121 /nfs/dbraw/zinc/32/61/21/888326121.db2.gz FYHXUJUNQBODRB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001235003619 888326144 /nfs/dbraw/zinc/32/61/44/888326144.db2.gz FYHXUJUNQBODRB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001235003619 888326157 /nfs/dbraw/zinc/32/61/57/888326157.db2.gz FYHXUJUNQBODRB-DLBZAZTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001235722014 888912521 /nfs/dbraw/zinc/91/25/21/888912521.db2.gz HYGNAZJVEKYVOK-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001235722014 888912542 /nfs/dbraw/zinc/91/25/42/888912542.db2.gz HYGNAZJVEKYVOK-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235722014 888912559 /nfs/dbraw/zinc/91/25/59/888912559.db2.gz HYGNAZJVEKYVOK-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001235722014 888912573 /nfs/dbraw/zinc/91/25/73/888912573.db2.gz HYGNAZJVEKYVOK-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278146230 889845642 /nfs/dbraw/zinc/84/56/42/889845642.db2.gz FBHINWVBPVCWPH-GDBMZVCRSA-N 2 1 316.449 1.022 20 30 DDEDMP C[N@H+]1CCC[C@@H](C[NH+]2CC3(C[C@@H]3C(=O)N3CC(CC#N)C3)C2)C1 ZINC001278146230 889845644 /nfs/dbraw/zinc/84/56/44/889845644.db2.gz FBHINWVBPVCWPH-GDBMZVCRSA-N 2 1 316.449 1.022 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001316649523 913570049 /nfs/dbraw/zinc/57/00/49/913570049.db2.gz DBIWGUAJLJZVKG-XHSDSOJGSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001316649523 913570063 /nfs/dbraw/zinc/57/00/63/913570063.db2.gz DBIWGUAJLJZVKG-XHSDSOJGSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001278506350 893639792 /nfs/dbraw/zinc/63/97/92/893639792.db2.gz ZKZPNTNEWYVMPU-RDJZCZTQSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCF)C1 ZINC001278506350 893639797 /nfs/dbraw/zinc/63/97/97/893639797.db2.gz ZKZPNTNEWYVMPU-RDJZCZTQSA-N 2 1 309.429 1.272 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374756307 913818640 /nfs/dbraw/zinc/81/86/40/913818640.db2.gz MTPMPPOMUGEZCK-CKEIUWERSA-N 2 1 314.433 1.493 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001367039931 895649263 /nfs/dbraw/zinc/64/92/63/895649263.db2.gz RCTVSPIBQJUGEE-IUODEOHRSA-N 2 1 320.462 1.650 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001367039931 895649270 /nfs/dbraw/zinc/64/92/70/895649270.db2.gz RCTVSPIBQJUGEE-IUODEOHRSA-N 2 1 320.462 1.650 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001263805298 900716329 /nfs/dbraw/zinc/71/63/29/900716329.db2.gz NRZAFTLYKIGDNE-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001263805298 900716338 /nfs/dbraw/zinc/71/63/38/900716338.db2.gz NRZAFTLYKIGDNE-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369308126 901028545 /nfs/dbraw/zinc/02/85/45/901028545.db2.gz SDWYVMRHHQNMGJ-VXGBXAGGSA-N 2 1 318.259 1.283 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001264611427 901215486 /nfs/dbraw/zinc/21/54/86/901215486.db2.gz HQSMVVXCDYOOJF-YESZJQIVSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001264611427 901215496 /nfs/dbraw/zinc/21/54/96/901215496.db2.gz HQSMVVXCDYOOJF-YESZJQIVSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001264611427 901215508 /nfs/dbraw/zinc/21/55/08/901215508.db2.gz HQSMVVXCDYOOJF-YESZJQIVSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001264655527 901254116 /nfs/dbraw/zinc/25/41/16/901254116.db2.gz DKZCPDFGSWTERU-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001264655527 901254129 /nfs/dbraw/zinc/25/41/29/901254129.db2.gz DKZCPDFGSWTERU-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001264655527 901254144 /nfs/dbraw/zinc/25/41/44/901254144.db2.gz DKZCPDFGSWTERU-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001265164266 901652063 /nfs/dbraw/zinc/65/20/63/901652063.db2.gz AYUBZVBPKWWAGC-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1CCC)C1CC1 ZINC001265164266 901652068 /nfs/dbraw/zinc/65/20/68/901652068.db2.gz AYUBZVBPKWWAGC-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1CCC)C1CC1 ZINC001265164266 901652083 /nfs/dbraw/zinc/65/20/83/901652083.db2.gz AYUBZVBPKWWAGC-QGZVFWFLSA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265306115 901860576 /nfs/dbraw/zinc/86/05/76/901860576.db2.gz JXTQWMUITVVZBX-HNNXBMFYSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265306115 901860584 /nfs/dbraw/zinc/86/05/84/901860584.db2.gz JXTQWMUITVVZBX-HNNXBMFYSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265546895 902120998 /nfs/dbraw/zinc/12/09/98/902120998.db2.gz ZYNWUNFFCHTNHA-MCIONIFRSA-N 2 1 320.437 1.941 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001370022921 902410287 /nfs/dbraw/zinc/41/02/87/902410287.db2.gz ZFARSBIDBVJRKV-OAHLLOKOSA-N 2 1 318.396 1.340 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001370022921 902410295 /nfs/dbraw/zinc/41/02/95/902410295.db2.gz ZFARSBIDBVJRKV-OAHLLOKOSA-N 2 1 318.396 1.340 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266009125 902745793 /nfs/dbraw/zinc/74/57/93/902745793.db2.gz NQKNXZJJZGPKQT-HOTGVXAUSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[N@@H+](C)CCC)CO2 ZINC001280961304 904246316 /nfs/dbraw/zinc/24/63/16/904246316.db2.gz DIFUFAIHINNUMW-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[N@H+](C)CCC)CO2 ZINC001280961304 904246331 /nfs/dbraw/zinc/24/63/31/904246331.db2.gz DIFUFAIHINNUMW-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001281939206 905329451 /nfs/dbraw/zinc/32/94/51/905329451.db2.gz CGTRGFLQAYHPFP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001281939206 905329463 /nfs/dbraw/zinc/32/94/63/905329463.db2.gz CGTRGFLQAYHPFP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001281939206 905329479 /nfs/dbraw/zinc/32/94/79/905329479.db2.gz CGTRGFLQAYHPFP-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001283259838 907016878 /nfs/dbraw/zinc/01/68/78/907016878.db2.gz KBYQZBOQDKQITN-CQSZACIVSA-N 2 1 313.405 1.941 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001283507278 907491335 /nfs/dbraw/zinc/49/13/35/907491335.db2.gz LFSPPYOCZIFCKV-ZIDUMWFYSA-N 2 1 323.868 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001283507278 907491347 /nfs/dbraw/zinc/49/13/47/907491347.db2.gz LFSPPYOCZIFCKV-ZIDUMWFYSA-N 2 1 323.868 1.663 20 30 DDEDMP C[C@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)[N@@H+](C)C1CC1 ZINC000083052350 353704787 /nfs/dbraw/zinc/70/47/87/353704787.db2.gz WBLVYVYPOLWDKE-IUODEOHRSA-N 2 1 302.422 1.897 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000594437638 356213527 /nfs/dbraw/zinc/21/35/27/356213527.db2.gz KGYLDJYBLDPQIA-ARFHVFGLSA-N 2 1 322.453 1.157 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000594442661 356217649 /nfs/dbraw/zinc/21/76/49/356217649.db2.gz HMAMIMOAAVYGMH-XIRDDKMYSA-N 2 1 318.465 1.873 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000598598516 357647240 /nfs/dbraw/zinc/64/72/40/357647240.db2.gz AFZODMWQFGTVSO-BRWVUGGUSA-N 2 1 322.497 1.245 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC[N@@H+]1C ZINC000599316679 357890193 /nfs/dbraw/zinc/89/01/93/357890193.db2.gz ORHOXKFBZXRFPB-OAGGEKHMSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC[N@H+]1C ZINC000599316679 357890197 /nfs/dbraw/zinc/89/01/97/357890197.db2.gz ORHOXKFBZXRFPB-OAGGEKHMSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC[NH+]1C ZINC000599316679 357890200 /nfs/dbraw/zinc/89/02/00/357890200.db2.gz ORHOXKFBZXRFPB-OAGGEKHMSA-N 2 1 309.454 1.472 20 30 DDEDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)CC[NH+]1C ZINC000599316679 357890206 /nfs/dbraw/zinc/89/02/06/357890206.db2.gz ORHOXKFBZXRFPB-OAGGEKHMSA-N 2 1 309.454 1.472 20 30 DDEDMP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1C#N ZINC000600708186 358290104 /nfs/dbraw/zinc/29/01/04/358290104.db2.gz DBUMRNRHMMKIQU-QGZVFWFLSA-N 2 1 310.405 1.754 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001120450064 781951480 /nfs/dbraw/zinc/95/14/80/781951480.db2.gz SBLQWQQAUREJKE-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1C#N ZINC000414773745 224391832 /nfs/dbraw/zinc/39/18/32/224391832.db2.gz DYUNDXGDCXIBIM-INIZCTEOSA-N 2 1 315.417 1.754 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])NCc1ccccc1OC ZINC000178566732 407494636 /nfs/dbraw/zinc/49/46/36/407494636.db2.gz YHKJTNGHWSVOCP-OAHLLOKOSA-N 2 1 304.438 1.974 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NCC[N@@H+](C)C1CCCC1 ZINC000178569111 407496462 /nfs/dbraw/zinc/49/64/62/407496462.db2.gz JBDIKQXTXOSZQB-UHFFFAOYSA-N 2 1 304.438 1.974 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000157178708 408292322 /nfs/dbraw/zinc/29/23/22/408292322.db2.gz DECPFKPNGCWFGJ-IAGOWNOFSA-N 2 1 303.450 1.274 20 30 DDEDMP C[NH+]=C(NCc1c(C)noc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158402638 408338864 /nfs/dbraw/zinc/33/88/64/408338864.db2.gz SFEWPXKEOGKXGP-XHDPSFHLSA-N 2 1 307.442 1.685 20 30 DDEDMP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1C#N ZINC000191357938 408412105 /nfs/dbraw/zinc/41/21/05/408412105.db2.gz NXSUWWDKZVHLBD-MSOLQXFVSA-N 2 1 316.449 1.754 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000265626723 408720924 /nfs/dbraw/zinc/72/09/24/408720924.db2.gz RUNCXEYMXWHMTR-UHFFFAOYSA-N 2 1 314.433 1.653 20 30 DDEDMP COc1cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)ccc1C#N ZINC000290053010 409293448 /nfs/dbraw/zinc/29/34/48/409293448.db2.gz DULRFNIRPQVXLV-UHFFFAOYSA-N 2 1 318.465 1.882 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000317428698 409865078 /nfs/dbraw/zinc/86/50/78/409865078.db2.gz PETFGBVMASSSPR-VNQPRFMTSA-N 2 1 303.406 1.370 20 30 DDEDMP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075674 418486605 /nfs/dbraw/zinc/48/66/05/418486605.db2.gz VXGCYLMGIQBFDV-OAHLLOKOSA-N 2 1 306.454 1.555 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(F)c(F)c1 ZINC000189053566 222035310 /nfs/dbraw/zinc/03/53/10/222035310.db2.gz VHKNTWOMFBBZEW-CYBMUJFWSA-N 2 1 310.392 1.896 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261998956 222268444 /nfs/dbraw/zinc/26/84/44/222268444.db2.gz TVPXMQMSSLSDHG-VNQPRFMTSA-N 2 1 308.470 1.593 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(COC)cc1 ZINC000264136797 222324101 /nfs/dbraw/zinc/32/41/01/222324101.db2.gz ZYHDLIXNRCTXOR-MRXNPFEDSA-N 2 1 304.438 1.722 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1Cc2ccccc2O1 ZINC000262002062 222269238 /nfs/dbraw/zinc/26/92/38/222269238.db2.gz QAFPQQJJDJKCLK-HUUCEWRRSA-N 2 1 302.422 1.379 20 30 DDEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262085416 222271835 /nfs/dbraw/zinc/27/18/35/222271835.db2.gz FVGYWYZVCOPFAQ-KRWDZBQOSA-N 2 1 301.434 1.731 20 30 DDEDMP C=CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262178092 222273170 /nfs/dbraw/zinc/27/31/70/222273170.db2.gz WFULCDGRQLLIAR-KRWDZBQOSA-N 2 1 301.434 1.731 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])NCC2=CC[N@@H+](C)CC2)c1 ZINC000263150212 222305164 /nfs/dbraw/zinc/30/51/64/222305164.db2.gz LRVJRAMLRFACRI-UHFFFAOYSA-N 2 1 304.394 1.692 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cccc(F)c1 ZINC000264071011 222312488 /nfs/dbraw/zinc/31/24/88/222312488.db2.gz DDWQHLIHDBXACK-GJZGRUSLSA-N 2 1 308.401 1.248 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccsc1)N(C)C ZINC000264068752 222313188 /nfs/dbraw/zinc/31/31/88/222313188.db2.gz CLZUAWMCAQIINO-GJZGRUSLSA-N 2 1 323.510 1.739 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375472293 418644623 /nfs/dbraw/zinc/64/46/23/418644623.db2.gz SOTPUAKCANPPCP-KBAYOESNSA-N 2 1 313.445 1.797 20 30 DDEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375472293 418644626 /nfs/dbraw/zinc/64/46/26/418644626.db2.gz SOTPUAKCANPPCP-KBAYOESNSA-N 2 1 313.445 1.797 20 30 DDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000365273579 418849186 /nfs/dbraw/zinc/84/91/86/418849186.db2.gz KRUSGSXYUXXNKP-HXUWFJFHSA-N 2 1 311.473 1.998 20 30 DDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000365273579 418849187 /nfs/dbraw/zinc/84/91/87/418849187.db2.gz KRUSGSXYUXXNKP-HXUWFJFHSA-N 2 1 311.473 1.998 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000424143073 228235314 /nfs/dbraw/zinc/23/53/14/228235314.db2.gz JKBKOJRJMPLHHZ-ZBFHGGJFSA-N 2 1 302.422 1.644 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000424167402 420312805 /nfs/dbraw/zinc/31/28/05/420312805.db2.gz DQPDRALJIOWEJH-BPUTZDHNSA-N 2 1 304.438 1.483 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000491120708 421195013 /nfs/dbraw/zinc/19/50/13/421195013.db2.gz MVTHOZBMELECOM-LSDHHAIUSA-N 2 1 319.409 1.820 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000491120708 421195014 /nfs/dbraw/zinc/19/50/14/421195014.db2.gz MVTHOZBMELECOM-LSDHHAIUSA-N 2 1 319.409 1.820 20 30 DDEDMP CC(C)[NH2+]C1(CO)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000574051544 422054993 /nfs/dbraw/zinc/05/49/93/422054993.db2.gz UYSVTQVFHKCWAB-UHFFFAOYSA-N 2 1 323.481 1.912 20 30 DDEDMP CC[C@]1(O)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](O)(CC)C2)C1 ZINC000640035524 424097945 /nfs/dbraw/zinc/09/79/45/424097945.db2.gz KSHYINWLWWQVCJ-ROUUACIJSA-N 2 1 308.466 1.464 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)nn1 ZINC000655939453 424693870 /nfs/dbraw/zinc/69/38/70/424693870.db2.gz HFRAGELPFWNUBO-SJORKVTESA-N 2 1 319.453 1.573 20 30 DDEDMP C=CC[C@]1(C(=O)N2CC[N@H+](CCOC)[C@@H](CCC)C2)CCC[NH2+]1 ZINC000662825755 424780266 /nfs/dbraw/zinc/78/02/66/424780266.db2.gz NGEFUVYULVQLAZ-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[C@]1(C(=O)N2CC[N@@H+](CCOC)[C@@H](CCC)C2)CCC[NH2+]1 ZINC000662825755 424780269 /nfs/dbraw/zinc/78/02/69/424780269.db2.gz NGEFUVYULVQLAZ-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP CNC(NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1)=[NH+]C ZINC000264135415 277220925 /nfs/dbraw/zinc/22/09/25/277220925.db2.gz ZMXOTVDNAMUNFS-INIZCTEOSA-N 2 1 303.454 1.160 20 30 DDEDMP CNC(NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1)=[NH+]C ZINC000264135415 277220926 /nfs/dbraw/zinc/22/09/26/277220926.db2.gz ZMXOTVDNAMUNFS-INIZCTEOSA-N 2 1 303.454 1.160 20 30 DDEDMP CNC(NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)=[NH+]C ZINC000264135415 277220928 /nfs/dbraw/zinc/22/09/28/277220928.db2.gz ZMXOTVDNAMUNFS-INIZCTEOSA-N 2 1 303.454 1.160 20 30 DDEDMP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1=O ZINC000337211227 526516230 /nfs/dbraw/zinc/51/62/30/526516230.db2.gz URHZZTSCTUHZFL-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1=O ZINC000337211227 526516235 /nfs/dbraw/zinc/51/62/35/526516235.db2.gz URHZZTSCTUHZFL-ULQDDVLXSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000341663906 526595091 /nfs/dbraw/zinc/59/50/91/526595091.db2.gz IORRMIXQJCUWII-YOEHRIQHSA-N 2 1 320.481 1.809 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000491700293 526808178 /nfs/dbraw/zinc/80/81/78/526808178.db2.gz CXWIEJCDJSDHOY-HZPDHXFCSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000491700293 526808183 /nfs/dbraw/zinc/80/81/83/526808183.db2.gz CXWIEJCDJSDHOY-HZPDHXFCSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000491700293 526808191 /nfs/dbraw/zinc/80/81/91/526808191.db2.gz CXWIEJCDJSDHOY-HZPDHXFCSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000491789704 526815135 /nfs/dbraw/zinc/81/51/35/526815135.db2.gz ZVNMCEKTFDIXPU-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000491789704 526815149 /nfs/dbraw/zinc/81/51/49/526815149.db2.gz ZVNMCEKTFDIXPU-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000491789704 526815153 /nfs/dbraw/zinc/81/51/53/526815153.db2.gz ZVNMCEKTFDIXPU-INIZCTEOSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CCNC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000491306094 526980478 /nfs/dbraw/zinc/98/04/78/526980478.db2.gz LOMJIVWVOBGKNC-HDICACEKSA-N 2 1 311.429 1.190 20 30 DDEDMP C#CCNC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000491306094 526980484 /nfs/dbraw/zinc/98/04/84/526980484.db2.gz LOMJIVWVOBGKNC-HDICACEKSA-N 2 1 311.429 1.190 20 30 DDEDMP C#CCNC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000491306094 526980489 /nfs/dbraw/zinc/98/04/89/526980489.db2.gz LOMJIVWVOBGKNC-HDICACEKSA-N 2 1 311.429 1.190 20 30 DDEDMP CCOC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000341882292 528937922 /nfs/dbraw/zinc/93/79/22/528937922.db2.gz KQJWSHYOTLWRCA-QZTJIDSGSA-N 2 1 308.466 1.707 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980218641 696710734 /nfs/dbraw/zinc/71/07/34/696710734.db2.gz VLIZPOLLLHSNME-YESZJQIVSA-N 2 1 317.477 1.875 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980235831 696715250 /nfs/dbraw/zinc/71/52/50/696715250.db2.gz ADFDWQQGLVUYGO-BBWFWOEESA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554961 695281264 /nfs/dbraw/zinc/28/12/64/695281264.db2.gz UZNWNCSRNAMQSA-DOTOQJQBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC000972554962 695281301 /nfs/dbraw/zinc/28/13/01/695281301.db2.gz UZNWNCSRNAMQSA-RDJZCZTQSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000974577905 695689251 /nfs/dbraw/zinc/68/92/51/695689251.db2.gz OTLNRPSLICDBRA-CVEARBPZSA-N 2 1 305.466 1.731 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974967547 695769192 /nfs/dbraw/zinc/76/91/92/695769192.db2.gz FFTUNQMQYCDTOU-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974967547 695769193 /nfs/dbraw/zinc/76/91/93/695769193.db2.gz FFTUNQMQYCDTOU-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974967547 695769194 /nfs/dbraw/zinc/76/91/94/695769194.db2.gz FFTUNQMQYCDTOU-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)CC2(C)C)CC1 ZINC000977659814 696247612 /nfs/dbraw/zinc/24/76/12/696247612.db2.gz YHFXESQMRMIJFN-MRXNPFEDSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC000978254394 696351867 /nfs/dbraw/zinc/35/18/67/696351867.db2.gz WDWUJVUNBCDXKD-XLAORIBOSA-N 2 1 317.477 1.282 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978254394 696351869 /nfs/dbraw/zinc/35/18/69/696351869.db2.gz WDWUJVUNBCDXKD-XLAORIBOSA-N 2 1 317.477 1.282 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC000978254394 696351871 /nfs/dbraw/zinc/35/18/71/696351871.db2.gz WDWUJVUNBCDXKD-XLAORIBOSA-N 2 1 317.477 1.282 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978793229 696458978 /nfs/dbraw/zinc/45/89/78/696458978.db2.gz BEAXNUJRPPNNBT-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793229 696458980 /nfs/dbraw/zinc/45/89/80/696458980.db2.gz BEAXNUJRPPNNBT-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978793229 696458981 /nfs/dbraw/zinc/45/89/81/696458981.db2.gz BEAXNUJRPPNNBT-WCXIOVBPSA-N 2 1 303.450 1.177 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083102198 696550421 /nfs/dbraw/zinc/55/04/21/696550421.db2.gz ULSPYCSFCFOMKO-OAHLLOKOSA-N 3 1 321.513 1.653 20 30 DDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083102198 696550422 /nfs/dbraw/zinc/55/04/22/696550422.db2.gz ULSPYCSFCFOMKO-OAHLLOKOSA-N 3 1 321.513 1.653 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980158331 696696285 /nfs/dbraw/zinc/69/62/85/696696285.db2.gz CBLJMCDRPSZTCL-ULQDDVLXSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980158331 696696286 /nfs/dbraw/zinc/69/62/86/696696286.db2.gz CBLJMCDRPSZTCL-ULQDDVLXSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2C1 ZINC000980158331 696696287 /nfs/dbraw/zinc/69/62/87/696696287.db2.gz CBLJMCDRPSZTCL-ULQDDVLXSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813359 696927254 /nfs/dbraw/zinc/92/72/54/696927254.db2.gz JPFLWWWOCUCNAQ-HNNXBMFYSA-N 2 1 312.417 1.318 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C2)C1 ZINC000981813359 696927255 /nfs/dbraw/zinc/92/72/55/696927255.db2.gz JPFLWWWOCUCNAQ-HNNXBMFYSA-N 2 1 312.417 1.318 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957844 696984701 /nfs/dbraw/zinc/98/47/01/696984701.db2.gz WTODSWRLOLXMMW-SFHVURJKSA-N 2 1 323.456 1.757 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957844 696984702 /nfs/dbraw/zinc/98/47/02/696984702.db2.gz WTODSWRLOLXMMW-SFHVURJKSA-N 2 1 323.456 1.757 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957844 696984704 /nfs/dbraw/zinc/98/47/04/696984704.db2.gz WTODSWRLOLXMMW-SFHVURJKSA-N 2 1 323.456 1.757 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957844 696984706 /nfs/dbraw/zinc/98/47/06/696984706.db2.gz WTODSWRLOLXMMW-SFHVURJKSA-N 2 1 323.456 1.757 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000981964962 696987868 /nfs/dbraw/zinc/98/78/68/696987868.db2.gz QKYOFXZJVPTLAZ-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981964962 696987869 /nfs/dbraw/zinc/98/78/69/696987869.db2.gz QKYOFXZJVPTLAZ-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981964962 696987872 /nfs/dbraw/zinc/98/78/72/696987872.db2.gz QKYOFXZJVPTLAZ-HOTGVXAUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC000982115842 697033915 /nfs/dbraw/zinc/03/39/15/697033915.db2.gz CVSWCJQSMMBDNQ-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982152270 697043779 /nfs/dbraw/zinc/04/37/79/697043779.db2.gz VNTDTNVVYPHIJW-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC000982152270 697043782 /nfs/dbraw/zinc/04/37/82/697043782.db2.gz VNTDTNVVYPHIJW-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000982152270 697043784 /nfs/dbraw/zinc/04/37/84/697043784.db2.gz VNTDTNVVYPHIJW-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000982152270 697043787 /nfs/dbraw/zinc/04/37/87/697043787.db2.gz VNTDTNVVYPHIJW-SJORKVTESA-N 2 1 303.450 1.561 20 30 DDEDMP C#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000985684912 697555438 /nfs/dbraw/zinc/55/54/38/697555438.db2.gz BCKVHKIWCAQOFQ-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985684912 697555440 /nfs/dbraw/zinc/55/54/40/697555440.db2.gz BCKVHKIWCAQOFQ-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000985684912 697555442 /nfs/dbraw/zinc/55/54/42/697555442.db2.gz BCKVHKIWCAQOFQ-KRWDZBQOSA-N 2 1 305.466 1.805 20 30 DDEDMP C=C(C)C[N@H+](C)C1CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000985719095 697562002 /nfs/dbraw/zinc/56/20/02/697562002.db2.gz BTTQHIYNANMDGP-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000303881817 698609071 /nfs/dbraw/zinc/60/90/71/698609071.db2.gz LDKNESXZVNADSU-VXGBXAGGSA-N 2 1 321.391 1.012 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc2ccccc2o1 ZINC000303879575 698609213 /nfs/dbraw/zinc/60/92/13/698609213.db2.gz JRJZXPVAMUSDCA-UHFFFAOYSA-N 2 1 316.405 1.559 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C(=O)N(C)C)CCCC1 ZINC000304752869 698624140 /nfs/dbraw/zinc/62/41/40/698624140.db2.gz KRQPXKFCPVOYRC-CQSZACIVSA-N 2 1 323.485 1.024 20 30 DDEDMP [NH2+]=C(NCCCc1cccc(F)c1)NCCC[NH+]1CCOCC1 ZINC000304746050 698624155 /nfs/dbraw/zinc/62/41/55/698624155.db2.gz FNEDUQHULIXYJV-UHFFFAOYSA-N 2 1 322.428 1.385 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC000989562964 698668596 /nfs/dbraw/zinc/66/85/96/698668596.db2.gz TYXPJBZQYFOAOG-KBPBESRZSA-N 2 1 315.845 1.040 20 30 DDEDMP C#Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)nc1 ZINC000728816449 699457024 /nfs/dbraw/zinc/45/70/24/699457024.db2.gz LFOZKBAPYMHUGE-UHFFFAOYSA-N 2 1 321.384 1.462 20 30 DDEDMP c1ccc(C[N@@H+]2CCC(N=NC3=[NH+]CCN3)[C@H]3CCC[C@H]32)cc1 ZINC000841658820 702521582 /nfs/dbraw/zinc/52/15/82/702521582.db2.gz DIEVPCSXZQCLKH-NVXWUHKLSA-N 2 1 311.433 1.966 20 30 DDEDMP c1ccc(C[N@H+]2CCC(N=NC3=[NH+]CCN3)[C@H]3CCC[C@H]32)cc1 ZINC000841658820 702521586 /nfs/dbraw/zinc/52/15/86/702521586.db2.gz DIEVPCSXZQCLKH-NVXWUHKLSA-N 2 1 311.433 1.966 20 30 DDEDMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876746851 705854677 /nfs/dbraw/zinc/85/46/77/705854677.db2.gz QBOLAAJWYXVXEG-QGZVFWFLSA-N 2 1 314.433 1.593 20 30 DDEDMP C[C@@H](O)C[NH+](C)Cc1cc(C#N)cc(C[N@H+](C)C[C@H](C)O)c1 ZINC000878129283 706302349 /nfs/dbraw/zinc/30/23/49/706302349.db2.gz MRRHGUOIGLPSMN-OKILXGFUSA-N 2 1 305.422 1.183 20 30 DDEDMP C[C@@H](O)C[N@@H+](C)Cc1cc(C#N)cc(C[NH+](C)C[C@H](C)O)c1 ZINC000878129283 706302353 /nfs/dbraw/zinc/30/23/53/706302353.db2.gz MRRHGUOIGLPSMN-OKILXGFUSA-N 2 1 305.422 1.183 20 30 DDEDMP C[C@@H](O)C[N@H+](C)Cc1cc(C#N)cc(C[NH+](C)C[C@H](C)O)c1 ZINC000878129283 706302355 /nfs/dbraw/zinc/30/23/55/706302355.db2.gz MRRHGUOIGLPSMN-OKILXGFUSA-N 2 1 305.422 1.183 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H](C)C[N@@H+](CC)CCC)C1 ZINC000884366913 708265421 /nfs/dbraw/zinc/26/54/21/708265421.db2.gz MDJMEZKIDBIRBT-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N[C@H](C)C[N@H+](CC)CCC)C1 ZINC000884366913 708265422 /nfs/dbraw/zinc/26/54/22/708265422.db2.gz MDJMEZKIDBIRBT-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+](CC)CCC)C1 ZINC000884366913 708265423 /nfs/dbraw/zinc/26/54/23/708265423.db2.gz MDJMEZKIDBIRBT-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C)C[NH+](CC)CCC)C1 ZINC000884366913 708265424 /nfs/dbraw/zinc/26/54/24/708265424.db2.gz MDJMEZKIDBIRBT-HZPDHXFCSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000884410877 708285567 /nfs/dbraw/zinc/28/55/67/708285567.db2.gz VNRPODIYGGEZLR-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000884410877 708285569 /nfs/dbraw/zinc/28/55/69/708285569.db2.gz VNRPODIYGGEZLR-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000884410877 708285572 /nfs/dbraw/zinc/28/55/72/708285572.db2.gz VNRPODIYGGEZLR-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000884410877 708285573 /nfs/dbraw/zinc/28/55/73/708285573.db2.gz VNRPODIYGGEZLR-HZPDHXFCSA-N 2 1 306.454 1.115 20 30 DDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)CC1(C#N)CCC1 ZINC000886080856 708694551 /nfs/dbraw/zinc/69/45/51/708694551.db2.gz GPMICMUYTXRGFK-QBPKDAKJSA-N 2 1 321.465 1.615 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000887634441 709087297 /nfs/dbraw/zinc/08/72/97/709087297.db2.gz RKTJFVJOFFMHHQ-IAGOWNOFSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000887634441 709087301 /nfs/dbraw/zinc/08/73/01/709087301.db2.gz RKTJFVJOFFMHHQ-IAGOWNOFSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000887634441 709087305 /nfs/dbraw/zinc/08/73/05/709087305.db2.gz RKTJFVJOFFMHHQ-IAGOWNOFSA-N 2 1 320.481 1.648 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000887634441 709087309 /nfs/dbraw/zinc/08/73/09/709087309.db2.gz RKTJFVJOFFMHHQ-IAGOWNOFSA-N 2 1 320.481 1.648 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000901088610 709919519 /nfs/dbraw/zinc/91/95/19/709919519.db2.gz KOTNKOKIRGVDQI-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(C#N)ccn1 ZINC000902800572 710904296 /nfs/dbraw/zinc/90/42/96/710904296.db2.gz PWRKENTZVXPHIA-ZBFHGGJFSA-N 2 1 302.422 1.841 20 30 DDEDMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498879 711153737 /nfs/dbraw/zinc/15/37/37/711153737.db2.gz MMHZZNSGFFRNHC-DAXOMENPSA-N 2 1 301.390 1.689 20 30 DDEDMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903498879 711153742 /nfs/dbraw/zinc/15/37/42/711153742.db2.gz MMHZZNSGFFRNHC-DAXOMENPSA-N 2 1 301.390 1.689 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@@H]1C[NH3+] ZINC000923492803 714376788 /nfs/dbraw/zinc/37/67/88/714376788.db2.gz OVPNVPLAPMMILE-IIAWOOMASA-N 2 1 303.406 1.215 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000957278414 715813200 /nfs/dbraw/zinc/81/32/00/715813200.db2.gz JGLHFVPVHZGGIU-HOTGVXAUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000957278416 715813534 /nfs/dbraw/zinc/81/35/34/715813534.db2.gz JGLHFVPVHZGGIU-JKSUJKDBSA-N 2 1 305.466 1.663 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc2c[nH+]cn2c1C ZINC000960715464 716666009 /nfs/dbraw/zinc/66/60/09/716666009.db2.gz VHEDWWSWSQDBIE-FVQHAEBGSA-N 2 1 310.401 1.879 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC000960981206 716754392 /nfs/dbraw/zinc/75/43/92/716754392.db2.gz NKCKKNIMGFXGBP-FOLVSLTJSA-N 2 1 309.373 1.113 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000961171998 716848037 /nfs/dbraw/zinc/84/80/37/716848037.db2.gz VGVKPMSHMGRQMK-HOTGVXAUSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961171998 716848044 /nfs/dbraw/zinc/84/80/44/716848044.db2.gz VGVKPMSHMGRQMK-HOTGVXAUSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCc3cnc[nH]3)C2)C1 ZINC000961171998 716848049 /nfs/dbraw/zinc/84/80/49/716848049.db2.gz VGVKPMSHMGRQMK-HOTGVXAUSA-N 2 1 314.433 1.536 20 30 DDEDMP C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279438 716893152 /nfs/dbraw/zinc/89/31/52/716893152.db2.gz DNBRMJVVTMUOGZ-IRXDYDNUSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279438 716893157 /nfs/dbraw/zinc/89/31/57/716893157.db2.gz DNBRMJVVTMUOGZ-IRXDYDNUSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000961350518 716919886 /nfs/dbraw/zinc/91/98/86/716919886.db2.gz XQHSTQXCLADGSW-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124756 717110962 /nfs/dbraw/zinc/11/09/62/717110962.db2.gz UMODNAHNBGGOMM-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961919233 717250281 /nfs/dbraw/zinc/25/02/81/717250281.db2.gz FBJYOTULKJXJCY-FOLVSLTJSA-N 2 1 302.422 1.629 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1C(C)C ZINC000961919233 717250284 /nfs/dbraw/zinc/25/02/84/717250284.db2.gz FBJYOTULKJXJCY-FOLVSLTJSA-N 2 1 302.422 1.629 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000963313938 717738543 /nfs/dbraw/zinc/73/85/43/717738543.db2.gz IVVJQLKSSYMPOC-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779612 718906789 /nfs/dbraw/zinc/90/67/89/718906789.db2.gz QJAZSLFQZPVEQS-ZJPYXAASSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779612 718906796 /nfs/dbraw/zinc/90/67/96/718906796.db2.gz QJAZSLFQZPVEQS-ZJPYXAASSA-N 2 1 319.493 1.931 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC[C@@H]2C1 ZINC000946779612 718906799 /nfs/dbraw/zinc/90/67/99/718906799.db2.gz QJAZSLFQZPVEQS-ZJPYXAASSA-N 2 1 319.493 1.931 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861373 718929016 /nfs/dbraw/zinc/92/90/16/718929016.db2.gz IWWPIAMWWSZIJZ-CALCHBBNSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946894808 718938090 /nfs/dbraw/zinc/93/80/90/718938090.db2.gz IMOKRWQUWLLZQH-CALCHBBNSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947617115 719227825 /nfs/dbraw/zinc/22/78/25/719227825.db2.gz VFOHDTPFVCAUBA-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@@H]1C ZINC000947654112 719237584 /nfs/dbraw/zinc/23/75/84/719237584.db2.gz YYERTDNLCWINGX-GOEBONIOSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)C[C@@H]1C ZINC000947919917 719307462 /nfs/dbraw/zinc/30/74/62/719307462.db2.gz AQJODNALASNMAU-LSDHHAIUSA-N 2 1 323.400 1.483 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968376661 719543317 /nfs/dbraw/zinc/54/33/17/719543317.db2.gz BIAURRCNLJNPEQ-RDJZCZTQSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](N(C)C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC000948776068 719701004 /nfs/dbraw/zinc/70/10/04/719701004.db2.gz YNADNZLKMLTIIV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000948776068 719701006 /nfs/dbraw/zinc/70/10/06/719701006.db2.gz YNADNZLKMLTIIV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000948776068 719701008 /nfs/dbraw/zinc/70/10/08/719701008.db2.gz YNADNZLKMLTIIV-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655737 719719785 /nfs/dbraw/zinc/71/97/85/719719785.db2.gz RVZYYKKVEHHUFN-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000968655737 719719786 /nfs/dbraw/zinc/71/97/86/719719786.db2.gz RVZYYKKVEHHUFN-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968675086 719729556 /nfs/dbraw/zinc/72/95/56/719729556.db2.gz XFZOIIHGZNTBHE-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000968675086 719729560 /nfs/dbraw/zinc/72/95/60/719729560.db2.gz XFZOIIHGZNTBHE-CRAIPNDOSA-N 2 1 313.445 1.822 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](CC(C)C)CC[C@H]2C)CC1 ZINC000968683119 719735107 /nfs/dbraw/zinc/73/51/07/719735107.db2.gz YQAVNYQMCFFFSF-AEFFLSMTSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000968866409 719831342 /nfs/dbraw/zinc/83/13/42/719831342.db2.gz HNAKXSMHKBAPGF-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968866409 719831345 /nfs/dbraw/zinc/83/13/45/719831345.db2.gz HNAKXSMHKBAPGF-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000968866409 719831349 /nfs/dbraw/zinc/83/13/49/719831349.db2.gz HNAKXSMHKBAPGF-IXDOHACOSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC000949123439 719919060 /nfs/dbraw/zinc/91/90/60/719919060.db2.gz CEEZYCQGLDBUGJ-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000969153991 719980336 /nfs/dbraw/zinc/98/03/36/719980336.db2.gz URLDDUABKYFWKR-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000969153991 719980339 /nfs/dbraw/zinc/98/03/39/719980339.db2.gz URLDDUABKYFWKR-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153991 719980343 /nfs/dbraw/zinc/98/03/43/719980343.db2.gz URLDDUABKYFWKR-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC000969153991 719980347 /nfs/dbraw/zinc/98/03/47/719980347.db2.gz URLDDUABKYFWKR-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001023762186 735450580 /nfs/dbraw/zinc/45/05/80/735450580.db2.gz SPTFBOSIVGNMEM-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001023762186 735450582 /nfs/dbraw/zinc/45/05/82/735450582.db2.gz SPTFBOSIVGNMEM-SJORKVTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001027602391 738453780 /nfs/dbraw/zinc/45/37/80/738453780.db2.gz SEUHCANGSSNQSB-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001027615623 738470265 /nfs/dbraw/zinc/47/02/65/738470265.db2.gz XBSWBTUZOAONLX-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001021679545 733436704 /nfs/dbraw/zinc/43/67/04/733436704.db2.gz OWRRLMHJWULQGD-HOCLYGCPSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001021681924 733440008 /nfs/dbraw/zinc/44/00/08/733440008.db2.gz KIPJKJAADPPLQQ-ZWKOTPCHSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021735928 733495858 /nfs/dbraw/zinc/49/58/58/733495858.db2.gz JPWLVOIYWDQVLM-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001027888227 738776452 /nfs/dbraw/zinc/77/64/52/738776452.db2.gz JJFABAWCAHRCCP-OAHLLOKOSA-N 2 1 319.453 1.215 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001023402173 735210536 /nfs/dbraw/zinc/21/05/36/735210536.db2.gz HKKHTYFQYZBCDH-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001023402173 735210540 /nfs/dbraw/zinc/21/05/40/735210540.db2.gz HKKHTYFQYZBCDH-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3cncn3C2)C1 ZINC001023451100 735243965 /nfs/dbraw/zinc/24/39/65/735243965.db2.gz FQQNANYUCSLUOY-HZPDHXFCSA-N 2 1 314.433 1.297 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453938 735245576 /nfs/dbraw/zinc/24/55/76/735245576.db2.gz LKDIZJGUGNRHRN-CQSZACIVSA-N 2 1 320.437 1.754 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453938 735245578 /nfs/dbraw/zinc/24/55/78/735245578.db2.gz LKDIZJGUGNRHRN-CQSZACIVSA-N 2 1 320.437 1.754 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3cncn3C2)C1 ZINC001023451809 735247321 /nfs/dbraw/zinc/24/73/21/735247321.db2.gz MPFCMULFTXCYNH-CVEARBPZSA-N 2 1 314.433 1.297 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024561637 735939745 /nfs/dbraw/zinc/93/97/45/735939745.db2.gz UEBDZQMVHVNCQL-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561637 735939747 /nfs/dbraw/zinc/93/97/47/735939747.db2.gz UEBDZQMVHVNCQL-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561637 735939749 /nfs/dbraw/zinc/93/97/49/735939749.db2.gz UEBDZQMVHVNCQL-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027981322 738903364 /nfs/dbraw/zinc/90/33/64/738903364.db2.gz MAHMULADDXKMCF-CABCVRRESA-N 2 1 300.406 1.049 20 30 DDEDMP CC#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1 ZINC001027981322 738903366 /nfs/dbraw/zinc/90/33/66/738903366.db2.gz MAHMULADDXKMCF-CABCVRRESA-N 2 1 300.406 1.049 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](CC#C)C2)CC1 ZINC001025624067 736793378 /nfs/dbraw/zinc/79/33/78/736793378.db2.gz AYGPTMZNLVQIAG-SJLPKXTDSA-N 2 1 315.461 1.182 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001020025337 736981040 /nfs/dbraw/zinc/98/10/40/736981040.db2.gz KTBXKLVZNVVOGB-ULQDDVLXSA-N 2 1 312.417 1.389 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C[C@H]21 ZINC001042260677 737139396 /nfs/dbraw/zinc/13/93/96/737139396.db2.gz WGEBSIVFXWEARK-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]21 ZINC001026420045 737519124 /nfs/dbraw/zinc/51/91/24/737519124.db2.gz CPVVHMBEHNPEJE-HRCADAONSA-N 2 1 302.422 1.594 20 30 DDEDMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027546209 738392208 /nfs/dbraw/zinc/39/22/08/738392208.db2.gz NBXCWMKWNDVJNT-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001027546209 738392209 /nfs/dbraw/zinc/39/22/09/738392209.db2.gz NBXCWMKWNDVJNT-DOTOQJQBSA-N 2 1 314.433 1.310 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2nccn2C1 ZINC001027979624 738901389 /nfs/dbraw/zinc/90/13/89/738901389.db2.gz FTIVYLYEXDYZOD-GJZGRUSLSA-N 2 1 302.422 1.602 20 30 DDEDMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041338626 739005149 /nfs/dbraw/zinc/00/51/49/739005149.db2.gz IYCYRLQPOOKORG-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041338626 739005153 /nfs/dbraw/zinc/00/51/53/739005153.db2.gz IYCYRLQPOOKORG-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041338626 739005157 /nfs/dbraw/zinc/00/51/57/739005157.db2.gz IYCYRLQPOOKORG-SJLPKXTDSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103490 739039814 /nfs/dbraw/zinc/03/98/14/739039814.db2.gz PLLZVHWRAOUBQN-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103490 739039819 /nfs/dbraw/zinc/03/98/19/739039819.db2.gz PLLZVHWRAOUBQN-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137645 739078972 /nfs/dbraw/zinc/07/89/72/739078972.db2.gz LVGISSXNIWGZOK-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C#CCC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587220 739700098 /nfs/dbraw/zinc/70/00/98/739700098.db2.gz HQRDHKCCSWDMDT-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587220 739700101 /nfs/dbraw/zinc/70/01/01/739700101.db2.gz HQRDHKCCSWDMDT-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587220 739700106 /nfs/dbraw/zinc/70/01/06/739700106.db2.gz HQRDHKCCSWDMDT-SJORKVTESA-N 2 1 305.466 1.426 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001028758072 739999085 /nfs/dbraw/zinc/99/90/85/739999085.db2.gz MYUQRORPMUBASK-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758072 739999092 /nfs/dbraw/zinc/99/90/92/739999092.db2.gz MYUQRORPMUBASK-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001028758072 739999103 /nfs/dbraw/zinc/99/91/03/739999103.db2.gz MYUQRORPMUBASK-HOTGVXAUSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998111922 751527825 /nfs/dbraw/zinc/52/78/25/751527825.db2.gz QYKRTTDCDPVYJD-QGZVFWFLSA-N 2 1 305.466 1.664 20 30 DDEDMP C[NH+]1CCC(C#N)(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167977314 740334221 /nfs/dbraw/zinc/33/42/21/740334221.db2.gz BHQUOLUDKGVHIZ-ALOPSCKCSA-N 2 1 302.466 1.969 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001087578830 740662871 /nfs/dbraw/zinc/66/28/71/740662871.db2.gz RLAOCWCUAYSLOW-MWDXBVQZSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578830 740662872 /nfs/dbraw/zinc/66/28/72/740662872.db2.gz RLAOCWCUAYSLOW-MWDXBVQZSA-N 2 1 305.466 1.709 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001087578830 740662873 /nfs/dbraw/zinc/66/28/73/740662873.db2.gz RLAOCWCUAYSLOW-MWDXBVQZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087602371 740673071 /nfs/dbraw/zinc/67/30/71/740673071.db2.gz MLVKHXLXGQXHCG-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H]1CC ZINC001087602371 740673076 /nfs/dbraw/zinc/67/30/76/740673076.db2.gz MLVKHXLXGQXHCG-IXDOHACOSA-N 2 1 305.466 1.852 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3nccn32)[C@H]1CC ZINC001087601618 740673231 /nfs/dbraw/zinc/67/32/31/740673231.db2.gz AWUOZAZJSQBRBF-ARFHVFGLSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601618 740673233 /nfs/dbraw/zinc/67/32/33/740673233.db2.gz AWUOZAZJSQBRBF-ARFHVFGLSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H]1CC ZINC001087601618 740673234 /nfs/dbraw/zinc/67/32/34/740673234.db2.gz AWUOZAZJSQBRBF-ARFHVFGLSA-N 2 1 314.433 1.753 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998192599 751580838 /nfs/dbraw/zinc/58/08/38/751580838.db2.gz WNIOVFRDIXAWQK-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC000998192599 751580847 /nfs/dbraw/zinc/58/08/47/751580847.db2.gz WNIOVFRDIXAWQK-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000998192599 751580854 /nfs/dbraw/zinc/58/08/54/751580854.db2.gz WNIOVFRDIXAWQK-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000998192599 751580859 /nfs/dbraw/zinc/58/08/59/751580859.db2.gz WNIOVFRDIXAWQK-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964023 740891205 /nfs/dbraw/zinc/89/12/05/740891205.db2.gz RWYGZAQHJNNYFK-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964023 740891208 /nfs/dbraw/zinc/89/12/08/740891208.db2.gz RWYGZAQHJNNYFK-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964023 740891211 /nfs/dbraw/zinc/89/12/11/740891211.db2.gz RWYGZAQHJNNYFK-SQNIBIBYSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@@H]2C1 ZINC001088023254 740953272 /nfs/dbraw/zinc/95/32/72/740953272.db2.gz VQOLZAOLCWVMAB-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023254 740953276 /nfs/dbraw/zinc/95/32/76/740953276.db2.gz VQOLZAOLCWVMAB-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@@H]2C1 ZINC001088023254 740953278 /nfs/dbraw/zinc/95/32/78/740953278.db2.gz VQOLZAOLCWVMAB-SQNIBIBYSA-N 2 1 317.477 1.520 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@@H]2C1 ZINC001088027922 740958118 /nfs/dbraw/zinc/95/81/18/740958118.db2.gz LWRWWVOZQDXAJG-SJORKVTESA-N 2 1 322.412 1.752 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088129593 741050049 /nfs/dbraw/zinc/05/00/49/741050049.db2.gz VUWYIQWNFNOKJZ-SJORKVTESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001088288545 741333188 /nfs/dbraw/zinc/33/31/88/741333188.db2.gz XQMMNFZUYNZEKZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001088288545 741333194 /nfs/dbraw/zinc/33/31/94/741333194.db2.gz XQMMNFZUYNZEKZ-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001088327690 741391330 /nfs/dbraw/zinc/39/13/30/741391330.db2.gz UMAGZKMJCWWVOB-JKSUJKDBSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001088327687 741391446 /nfs/dbraw/zinc/39/14/46/741391446.db2.gz UMAGZKMJCWWVOB-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001088334846 741405918 /nfs/dbraw/zinc/40/59/18/741405918.db2.gz QFFVDQLASPDEFO-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001088334846 741405921 /nfs/dbraw/zinc/40/59/21/741405921.db2.gz QFFVDQLASPDEFO-IXDOHACOSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001076594467 742808164 /nfs/dbraw/zinc/80/81/64/742808164.db2.gz NQQWVPOMOQGSQO-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001076594467 742808178 /nfs/dbraw/zinc/80/81/78/742808178.db2.gz NQQWVPOMOQGSQO-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594467 742808182 /nfs/dbraw/zinc/80/81/82/742808182.db2.gz NQQWVPOMOQGSQO-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)[C@@H]2C1 ZINC001076594467 742808187 /nfs/dbraw/zinc/80/81/87/742808187.db2.gz NQQWVPOMOQGSQO-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001002873199 743536889 /nfs/dbraw/zinc/53/68/89/743536889.db2.gz ARNKXHGGBHXDOO-JKSUJKDBSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001182896742 743747685 /nfs/dbraw/zinc/74/76/85/743747685.db2.gz FALHTXPHDWDPHB-CRAIPNDOSA-N 2 1 316.449 1.679 20 30 DDEDMP C=CCN1CC(OC2CCN(C(=O)CC[N@H+](C)CCC)CC2)C1 ZINC001105734039 743768659 /nfs/dbraw/zinc/76/86/59/743768659.db2.gz WLVHDDMKIVHGBI-UHFFFAOYSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001183165226 743796476 /nfs/dbraw/zinc/79/64/76/743796476.db2.gz SWLPWWFUEFHRQR-JFIYKMOQSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035794952 751881863 /nfs/dbraw/zinc/88/18/63/751881863.db2.gz NTDZVBUMEIWQKR-CVEARBPZSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470145 744228397 /nfs/dbraw/zinc/22/83/97/744228397.db2.gz OEJZHPKMSXSYHV-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001120470145 744228399 /nfs/dbraw/zinc/22/83/99/744228399.db2.gz OEJZHPKMSXSYHV-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001185679265 744274135 /nfs/dbraw/zinc/27/41/35/744274135.db2.gz BCPDJCOKYLFAQK-HOCLYGCPSA-N 2 1 302.422 1.289 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H]2C)CC1 ZINC001089059702 744479733 /nfs/dbraw/zinc/47/97/33/744479733.db2.gz WPJYCCSLQSPUGN-WBVHZDCISA-N 2 1 305.466 1.711 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001187291412 744535497 /nfs/dbraw/zinc/53/54/97/744535497.db2.gz RICITAHSDGJENQ-CYBMUJFWSA-N 2 1 320.462 1.652 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC000992409386 744861146 /nfs/dbraw/zinc/86/11/46/744861146.db2.gz MSFPIOJBKUVOPN-CRAIPNDOSA-N 2 1 301.434 1.219 20 30 DDEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046376049 745043561 /nfs/dbraw/zinc/04/35/61/745043561.db2.gz QTLDBLROZOVBLA-WMZOPIPTSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046376049 745043564 /nfs/dbraw/zinc/04/35/64/745043564.db2.gz QTLDBLROZOVBLA-WMZOPIPTSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046376049 745043566 /nfs/dbraw/zinc/04/35/66/745043566.db2.gz QTLDBLROZOVBLA-WMZOPIPTSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC000992712803 745137306 /nfs/dbraw/zinc/13/73/06/745137306.db2.gz OJKYFXLAIUPADM-USXIJHARSA-N 2 1 303.450 1.321 20 30 DDEDMP C=CCOCC[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191028451 745408221 /nfs/dbraw/zinc/40/82/21/745408221.db2.gz AVPVATQPGJDINW-OAHLLOKOSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191028451 745408222 /nfs/dbraw/zinc/40/82/22/745408222.db2.gz AVPVATQPGJDINW-OAHLLOKOSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191028451 745408223 /nfs/dbraw/zinc/40/82/23/745408223.db2.gz AVPVATQPGJDINW-OAHLLOKOSA-N 2 1 311.470 1.452 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479510 745737660 /nfs/dbraw/zinc/73/76/60/745737660.db2.gz DBHUXCHZWBBACY-IAGOWNOFSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192867040 745908298 /nfs/dbraw/zinc/90/82/98/745908298.db2.gz PMBJJMBWQLSOKB-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001192867040 745908300 /nfs/dbraw/zinc/90/83/00/745908300.db2.gz PMBJJMBWQLSOKB-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194721733 746449057 /nfs/dbraw/zinc/44/90/57/746449057.db2.gz ZHPBJWITOUEAJN-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001194721733 746449061 /nfs/dbraw/zinc/44/90/61/746449061.db2.gz ZHPBJWITOUEAJN-HZPDHXFCSA-N 2 1 320.437 1.099 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926972 746504799 /nfs/dbraw/zinc/50/47/99/746504799.db2.gz WOZGMCIHBUOOAF-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001046926972 746504804 /nfs/dbraw/zinc/50/48/04/746504804.db2.gz WOZGMCIHBUOOAF-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001046926972 746504808 /nfs/dbraw/zinc/50/48/08/746504808.db2.gz WOZGMCIHBUOOAF-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001046926972 746504812 /nfs/dbraw/zinc/50/48/12/746504812.db2.gz WOZGMCIHBUOOAF-KGLIPLIRSA-N 2 1 313.392 1.177 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196200824 746795452 /nfs/dbraw/zinc/79/54/52/746795452.db2.gz QPRZRMYWFCNQNR-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196200824 746795454 /nfs/dbraw/zinc/79/54/54/746795454.db2.gz QPRZRMYWFCNQNR-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196200824 746795456 /nfs/dbraw/zinc/79/54/56/746795456.db2.gz QPRZRMYWFCNQNR-QGZVFWFLSA-N 2 1 323.481 1.598 20 30 DDEDMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203175236 746848935 /nfs/dbraw/zinc/84/89/35/746848935.db2.gz BTBGEXKOZAUXEG-GJZGRUSLSA-N 2 1 300.406 1.232 20 30 DDEDMP CC[C@@H](C(=O)N1CCC[N@H+](CC#CCOC)CC1)[NH+](CC)CC ZINC001197142040 747065318 /nfs/dbraw/zinc/06/53/18/747065318.db2.gz SERDYUZMDBDFBE-KRWDZBQOSA-N 2 1 323.481 1.291 20 30 DDEDMP CC[C@@H](C(=O)N1CCC[N@@H+](CC#CCOC)CC1)[NH+](CC)CC ZINC001197142040 747065326 /nfs/dbraw/zinc/06/53/26/747065326.db2.gz SERDYUZMDBDFBE-KRWDZBQOSA-N 2 1 323.481 1.291 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089536361 747164749 /nfs/dbraw/zinc/16/47/49/747164749.db2.gz BYMKZXOTRWPABT-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089536361 747164755 /nfs/dbraw/zinc/16/47/55/747164755.db2.gz BYMKZXOTRWPABT-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC(C)(C)C1 ZINC001089536361 747164757 /nfs/dbraw/zinc/16/47/57/747164757.db2.gz BYMKZXOTRWPABT-SJORKVTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001089540296 747173645 /nfs/dbraw/zinc/17/36/45/747173645.db2.gz TXOVHYIBMBTMAS-HNNXBMFYSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001003776634 747473247 /nfs/dbraw/zinc/47/32/47/747473247.db2.gz XWBNPFJRDBVXST-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001089820118 747969418 /nfs/dbraw/zinc/96/94/18/747969418.db2.gz KTFNXHMDEWPJAA-DKIMLUQUSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089820118 747969423 /nfs/dbraw/zinc/96/94/23/747969423.db2.gz KTFNXHMDEWPJAA-DKIMLUQUSA-N 2 1 317.477 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C2CCC2)C1 ZINC001089820118 747969429 /nfs/dbraw/zinc/96/94/29/747969429.db2.gz KTFNXHMDEWPJAA-DKIMLUQUSA-N 2 1 317.477 1.826 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479605 748254273 /nfs/dbraw/zinc/25/42/73/748254273.db2.gz SBZCUMZRZRKIDR-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH2+]C1CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001200949395 748387897 /nfs/dbraw/zinc/38/78/97/748387897.db2.gz AICVJWCULDKYPY-UHFFFAOYSA-N 2 1 306.410 1.126 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075792 748499786 /nfs/dbraw/zinc/49/97/86/748499786.db2.gz FAVASUAFVPANCH-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075792 748499789 /nfs/dbraw/zinc/49/97/89/748499789.db2.gz FAVASUAFVPANCH-KRWDZBQOSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001039298153 761918281 /nfs/dbraw/zinc/91/82/81/761918281.db2.gz MZGJZPVBHGKPLA-XYTVBORESA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296144 749137937 /nfs/dbraw/zinc/13/79/37/749137937.db2.gz PNHVAGLRUQKOQX-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033415831 749313319 /nfs/dbraw/zinc/31/33/19/749313319.db2.gz LLTPWXREVSVWSR-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033415831 749313323 /nfs/dbraw/zinc/31/33/23/749313323.db2.gz LLTPWXREVSVWSR-JKSUJKDBSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001033468338 749393444 /nfs/dbraw/zinc/39/34/44/749393444.db2.gz XIYRQXFMQQHPKI-IAGOWNOFSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1(C)C ZINC000996191903 749423016 /nfs/dbraw/zinc/42/30/16/749423016.db2.gz WMEVSVLLCGBLGO-LSDHHAIUSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1(C)C ZINC000996191903 749423020 /nfs/dbraw/zinc/42/30/20/749423020.db2.gz WMEVSVLLCGBLGO-LSDHHAIUSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000996611827 749771266 /nfs/dbraw/zinc/77/12/66/749771266.db2.gz MLBNNKINGHTAKL-CQSZACIVSA-N 2 1 302.422 1.610 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005392159 749960872 /nfs/dbraw/zinc/96/08/72/749960872.db2.gz XTWLZCRDNMQEAT-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001039428667 762023811 /nfs/dbraw/zinc/02/38/11/762023811.db2.gz YRKDLDQNFZJMAD-SJORKVTESA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCC=C)C2)CC1 ZINC001034046283 750311919 /nfs/dbraw/zinc/31/19/19/750311919.db2.gz RKUCGTGCKHMENV-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001095812859 750470759 /nfs/dbraw/zinc/47/07/59/750470759.db2.gz SBLOOSSJRZRMQK-VSZNYVQBSA-N 2 1 315.461 1.606 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000997128936 750537873 /nfs/dbraw/zinc/53/78/73/750537873.db2.gz DUTSJGZFZBBASY-UHFFFAOYSA-N 2 1 311.389 1.648 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001114852303 751235686 /nfs/dbraw/zinc/23/56/86/751235686.db2.gz PDZLNQCNXNXDDL-LISAXSMJSA-N 2 1 321.465 1.110 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)CC2 ZINC001035196104 751278358 /nfs/dbraw/zinc/27/83/58/751278358.db2.gz SUOKQPVGEWUTCZ-HUUCEWRRSA-N 2 1 312.417 1.461 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001108421098 762114097 /nfs/dbraw/zinc/11/40/97/762114097.db2.gz HIFWDXBSCUYSKU-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C13CC[NH+](CC1)C3)CC2 ZINC001035245317 751326286 /nfs/dbraw/zinc/32/62/86/751326286.db2.gz MOFVSVZEWCYRJH-UHFFFAOYSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035258349 751335730 /nfs/dbraw/zinc/33/57/30/751335730.db2.gz MUYNJZQQAGQJAK-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035258349 751335738 /nfs/dbraw/zinc/33/57/38/751335738.db2.gz MUYNJZQQAGQJAK-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)C1)CC2 ZINC001035258349 751335746 /nfs/dbraw/zinc/33/57/46/751335746.db2.gz MUYNJZQQAGQJAK-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001000757462 762162256 /nfs/dbraw/zinc/16/22/56/762162256.db2.gz OPCWTTDFIXFFOY-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001000757462 762162259 /nfs/dbraw/zinc/16/22/59/762162259.db2.gz OPCWTTDFIXFFOY-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC001000757462 762162262 /nfs/dbraw/zinc/16/22/62/762162262.db2.gz OPCWTTDFIXFFOY-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001009635826 753292631 /nfs/dbraw/zinc/29/26/31/753292631.db2.gz MOGLZDZWCQMFPB-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001078682074 754299532 /nfs/dbraw/zinc/29/95/32/754299532.db2.gz DILRFEJFPPTKNK-ZIAGYGMSSA-N 2 1 322.840 1.961 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC)CC1 ZINC001040015137 762315294 /nfs/dbraw/zinc/31/52/94/762315294.db2.gz YKEBLPBYTXSEBS-CALCHBBNSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001080976970 756162736 /nfs/dbraw/zinc/16/27/36/756162736.db2.gz QIIGISTZMKJVFM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001080976970 756162737 /nfs/dbraw/zinc/16/27/37/756162737.db2.gz QIIGISTZMKJVFM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080976970 756162743 /nfs/dbraw/zinc/16/27/43/756162743.db2.gz QIIGISTZMKJVFM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001080976970 756162750 /nfs/dbraw/zinc/16/27/50/756162750.db2.gz QIIGISTZMKJVFM-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066338 756623075 /nfs/dbraw/zinc/62/30/75/756623075.db2.gz MRPFVUXZIIZNRC-CAOSSQGBSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066338 756623076 /nfs/dbraw/zinc/62/30/76/756623076.db2.gz MRPFVUXZIIZNRC-CAOSSQGBSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](OC)C1 ZINC001082066338 756623081 /nfs/dbraw/zinc/62/30/81/756623081.db2.gz MRPFVUXZIIZNRC-CAOSSQGBSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082326650 756738723 /nfs/dbraw/zinc/73/87/23/756738723.db2.gz LYWQJIAINHIRFT-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001082326650 756738727 /nfs/dbraw/zinc/73/87/27/756738727.db2.gz LYWQJIAINHIRFT-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001082326650 756738732 /nfs/dbraw/zinc/73/87/32/756738732.db2.gz LYWQJIAINHIRFT-ARFHVFGLSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C2 ZINC001097405118 757134489 /nfs/dbraw/zinc/13/44/89/757134489.db2.gz JVENFDKZXPKARC-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405118 757134494 /nfs/dbraw/zinc/13/44/94/757134494.db2.gz JVENFDKZXPKARC-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[NH+]1CC(C)C)C2 ZINC001097405118 757134500 /nfs/dbraw/zinc/13/45/00/757134500.db2.gz JVENFDKZXPKARC-BDXSIMOUSA-N 2 1 317.477 1.852 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)[C@@H](O)C1 ZINC001083939089 757192581 /nfs/dbraw/zinc/19/25/81/757192581.db2.gz WWJRPQKHWDGIEI-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939089 757192587 /nfs/dbraw/zinc/19/25/87/757192587.db2.gz WWJRPQKHWDGIEI-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)[C@@H](O)C1 ZINC001083939089 757192591 /nfs/dbraw/zinc/19/25/91/757192591.db2.gz WWJRPQKHWDGIEI-IKGGRYGDSA-N 2 1 323.481 1.378 20 30 DDEDMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001016651647 757235007 /nfs/dbraw/zinc/23/50/07/757235007.db2.gz JROHWDRZEBAOJX-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CC(C)C)C[C@H]21 ZINC001084417938 757539489 /nfs/dbraw/zinc/53/94/89/757539489.db2.gz NBRRKWSQRXGNFU-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CC(C)C)C[C@H]21 ZINC001084417938 757539492 /nfs/dbraw/zinc/53/94/92/757539492.db2.gz NBRRKWSQRXGNFU-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(C)C)C[C@H]21 ZINC001084417938 757539498 /nfs/dbraw/zinc/53/94/98/757539498.db2.gz NBRRKWSQRXGNFU-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CC(C)C)C[C@H]21 ZINC001084417938 757539501 /nfs/dbraw/zinc/53/95/01/757539501.db2.gz NBRRKWSQRXGNFU-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001084405722 757561208 /nfs/dbraw/zinc/56/12/08/757561208.db2.gz ZRAVJPSVXSADEJ-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405722 757561211 /nfs/dbraw/zinc/56/12/11/757561211.db2.gz ZRAVJPSVXSADEJ-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001084405722 757561217 /nfs/dbraw/zinc/56/12/17/757561217.db2.gz ZRAVJPSVXSADEJ-FGTMMUONSA-N 2 1 317.477 1.805 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001084599707 757691833 /nfs/dbraw/zinc/69/18/33/757691833.db2.gz SVGCFJRIWAUAAQ-KZNAEPCWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599707 757691839 /nfs/dbraw/zinc/69/18/39/757691839.db2.gz SVGCFJRIWAUAAQ-KZNAEPCWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001084599707 757691847 /nfs/dbraw/zinc/69/18/47/757691847.db2.gz SVGCFJRIWAUAAQ-KZNAEPCWSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001052957535 758011413 /nfs/dbraw/zinc/01/14/13/758011413.db2.gz GGXDBPTUWZDOME-GOSISDBHSA-N 2 1 315.461 1.326 20 30 DDEDMP C=CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084938819 758081179 /nfs/dbraw/zinc/08/11/79/758081179.db2.gz GPVYXLWOLHJMST-IKGGRYGDSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938819 758081188 /nfs/dbraw/zinc/08/11/88/758081188.db2.gz GPVYXLWOLHJMST-IKGGRYGDSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084938819 758081197 /nfs/dbraw/zinc/08/11/97/758081197.db2.gz GPVYXLWOLHJMST-IKGGRYGDSA-N 2 1 305.466 1.968 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001085101213 758238698 /nfs/dbraw/zinc/23/86/98/758238698.db2.gz JZZKFMGVFILFDZ-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101213 758238706 /nfs/dbraw/zinc/23/87/06/758238706.db2.gz JZZKFMGVFILFDZ-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001085101213 758238711 /nfs/dbraw/zinc/23/87/11/758238711.db2.gz JZZKFMGVFILFDZ-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001054196998 759281980 /nfs/dbraw/zinc/28/19/80/759281980.db2.gz QTFOAGYETYOCQF-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196998 759281988 /nfs/dbraw/zinc/28/19/88/759281988.db2.gz QTFOAGYETYOCQF-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001054196998 759281996 /nfs/dbraw/zinc/28/19/96/759281996.db2.gz QTFOAGYETYOCQF-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@H+](CC)C2 ZINC001054268282 759371879 /nfs/dbraw/zinc/37/18/79/759371879.db2.gz SZTCQKXCTOECGQ-SFHVURJKSA-N 2 1 311.429 1.736 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[N@@H+](CC)C2 ZINC001054268282 759371888 /nfs/dbraw/zinc/37/18/88/759371888.db2.gz SZTCQKXCTOECGQ-SFHVURJKSA-N 2 1 311.429 1.736 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC)C2 ZINC001054268282 759371899 /nfs/dbraw/zinc/37/18/99/759371899.db2.gz SZTCQKXCTOECGQ-SFHVURJKSA-N 2 1 311.429 1.736 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c(c1)C[NH+](CC)C2 ZINC001054268282 759371910 /nfs/dbraw/zinc/37/19/10/759371910.db2.gz SZTCQKXCTOECGQ-SFHVURJKSA-N 2 1 311.429 1.736 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597656 759807941 /nfs/dbraw/zinc/80/79/41/759807941.db2.gz CFWIDXZJEHZIIE-IRXDYDNUSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001097976065 760328890 /nfs/dbraw/zinc/32/88/90/760328890.db2.gz QZKGZKXFSUANSY-ZACQAIPSSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001086197568 761157754 /nfs/dbraw/zinc/15/77/54/761157754.db2.gz OQJIEHQHCVEEJK-OAGGEKHMSA-N 2 1 316.449 1.814 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+](CC)CC)C1 ZINC001108286829 761770888 /nfs/dbraw/zinc/77/08/88/761770888.db2.gz DKXHFTJLTFQIBU-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244870 761882232 /nfs/dbraw/zinc/88/22/32/761882232.db2.gz ZHTJJZKNQPUTRR-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244870 761882240 /nfs/dbraw/zinc/88/22/40/761882240.db2.gz ZHTJJZKNQPUTRR-IAGOWNOFSA-N 2 1 314.433 1.528 20 30 DDEDMP CC#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)CC1 ZINC001040848261 762704059 /nfs/dbraw/zinc/70/40/59/762704059.db2.gz HFKUOVLZPAPUAM-DLBZAZTESA-N 2 1 317.477 1.522 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001001424747 762851794 /nfs/dbraw/zinc/85/17/94/762851794.db2.gz LKCFOKPRKXNYEG-DLBZAZTESA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001041274771 762926250 /nfs/dbraw/zinc/92/62/50/762926250.db2.gz BLCYXFLEJXKMKD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274771 762926255 /nfs/dbraw/zinc/92/62/55/762926255.db2.gz BLCYXFLEJXKMKD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001041274771 762926260 /nfs/dbraw/zinc/92/62/60/762926260.db2.gz BLCYXFLEJXKMKD-IEBWSBKVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C(C)C)C2)C1 ZINC001041369249 762983846 /nfs/dbraw/zinc/98/38/46/762983846.db2.gz WVMLPEVTQVAPBZ-FUHWJXTLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001041369249 762983848 /nfs/dbraw/zinc/98/38/48/762983848.db2.gz WVMLPEVTQVAPBZ-FUHWJXTLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001041369249 762983850 /nfs/dbraw/zinc/98/38/50/762983850.db2.gz WVMLPEVTQVAPBZ-FUHWJXTLSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C(C)C)C2)C1 ZINC001041369249 762983851 /nfs/dbraw/zinc/98/38/51/762983851.db2.gz WVMLPEVTQVAPBZ-FUHWJXTLSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050285 763063455 /nfs/dbraw/zinc/06/34/55/763063455.db2.gz ADMVOXKHSIVBRH-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050285 763063459 /nfs/dbraw/zinc/06/34/59/763063459.db2.gz ADMVOXKHSIVBRH-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001050050285 763063463 /nfs/dbraw/zinc/06/34/63/763063463.db2.gz ADMVOXKHSIVBRH-MWDXBVQZSA-N 2 1 305.466 1.826 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001050063328 763077270 /nfs/dbraw/zinc/07/72/70/763077270.db2.gz GHCRKHHQGLHOPZ-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063328 763077275 /nfs/dbraw/zinc/07/72/75/763077275.db2.gz GHCRKHHQGLHOPZ-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001050063328 763077278 /nfs/dbraw/zinc/07/72/78/763077278.db2.gz GHCRKHHQGLHOPZ-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)[C@@H]2C1 ZINC001050085364 763113366 /nfs/dbraw/zinc/11/33/66/763113366.db2.gz FORCSYABLQSQTB-DOTOQJQBSA-N 2 1 308.385 1.504 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001050184696 763282868 /nfs/dbraw/zinc/28/28/68/763282868.db2.gz RDNBDPIXTFAODJ-JKSUJKDBSA-N 2 1 303.450 1.581 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041835411 763390280 /nfs/dbraw/zinc/39/02/80/763390280.db2.gz STCVECGGQDXXFM-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041835411 763390290 /nfs/dbraw/zinc/39/02/90/763390290.db2.gz STCVECGGQDXXFM-QGZVFWFLSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216667 763779345 /nfs/dbraw/zinc/77/93/45/763779345.db2.gz QJLLNLZSYANERX-NVXWUHKLSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001050760978 764016224 /nfs/dbraw/zinc/01/62/24/764016224.db2.gz CHHJLZUTRNHJCA-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001050760978 764016230 /nfs/dbraw/zinc/01/62/30/764016230.db2.gz CHHJLZUTRNHJCA-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CCC[NH+](C)C)C[C@@H](C)O2 ZINC001131682623 768259106 /nfs/dbraw/zinc/25/91/06/768259106.db2.gz QXWCRLDQHDHWMI-SJLPKXTDSA-N 2 1 321.465 1.043 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)C)C[C@H](C)O2 ZINC001131681930 768259597 /nfs/dbraw/zinc/25/95/97/768259597.db2.gz KIILGWLWQARHKW-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439055 765829394 /nfs/dbraw/zinc/82/93/94/765829394.db2.gz HNIVYBGBLGAJGL-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001052439055 765829400 /nfs/dbraw/zinc/82/94/00/765829400.db2.gz HNIVYBGBLGAJGL-CVEARBPZSA-N 2 1 314.433 1.755 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001052444859 765835389 /nfs/dbraw/zinc/83/53/89/765835389.db2.gz IIYXPOWTEUBGMX-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001052444859 765835396 /nfs/dbraw/zinc/83/53/96/765835396.db2.gz IIYXPOWTEUBGMX-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001052444859 765835406 /nfs/dbraw/zinc/83/54/06/765835406.db2.gz IIYXPOWTEUBGMX-FUHWJXTLSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001096017332 766196958 /nfs/dbraw/zinc/19/69/58/766196958.db2.gz LXPMGFNELFVBJO-LDDOYCOJSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001096017332 766196961 /nfs/dbraw/zinc/19/69/61/766196961.db2.gz LXPMGFNELFVBJO-LDDOYCOJSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096017332 766196965 /nfs/dbraw/zinc/19/69/65/766196965.db2.gz LXPMGFNELFVBJO-LDDOYCOJSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001096017332 766196967 /nfs/dbraw/zinc/19/69/67/766196967.db2.gz LXPMGFNELFVBJO-LDDOYCOJSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001045438374 766306999 /nfs/dbraw/zinc/30/69/99/766306999.db2.gz RMHRFTNETTYHIM-IAGOWNOFSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C ZINC001129761801 766991993 /nfs/dbraw/zinc/99/19/93/766991993.db2.gz CIOWWUBTVHJLFS-KRWDZBQOSA-N 2 1 317.408 1.438 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1C ZINC001129761801 766992000 /nfs/dbraw/zinc/99/20/00/766992000.db2.gz CIOWWUBTVHJLFS-KRWDZBQOSA-N 2 1 317.408 1.438 20 30 DDEDMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001046318500 767416483 /nfs/dbraw/zinc/41/64/83/767416483.db2.gz MENIYCDJCOBIDY-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001046318500 767416486 /nfs/dbraw/zinc/41/64/86/767416486.db2.gz MENIYCDJCOBIDY-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001046318500 767416487 /nfs/dbraw/zinc/41/64/87/767416487.db2.gz MENIYCDJCOBIDY-LPHOPBHVSA-N 2 1 317.477 1.855 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001130298250 767419215 /nfs/dbraw/zinc/41/92/15/767419215.db2.gz ZOFWOCHDUGZCFM-INIZCTEOSA-N 2 1 318.396 1.387 20 30 DDEDMP C=CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001130452510 767539223 /nfs/dbraw/zinc/53/92/23/767539223.db2.gz GQUVWMZEIWMZQH-CQSZACIVSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130452510 767539228 /nfs/dbraw/zinc/53/92/28/767539228.db2.gz GQUVWMZEIWMZQH-CQSZACIVSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C[NH+](C)C(C)C)C1 ZINC001130452510 767539233 /nfs/dbraw/zinc/53/92/33/767539233.db2.gz GQUVWMZEIWMZQH-CQSZACIVSA-N 2 1 319.453 1.341 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001096100685 767621975 /nfs/dbraw/zinc/62/19/75/767621975.db2.gz FWAYIEMZJYNRSR-MHORFTMASA-N 2 1 317.477 1.996 20 30 DDEDMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500921 767632648 /nfs/dbraw/zinc/63/26/48/767632648.db2.gz FSOXJPJEUZUHPN-FYRJDAGRSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCc2nccn2C)CC[C@H]1C ZINC001132194887 768664933 /nfs/dbraw/zinc/66/49/33/768664933.db2.gz GJZJQIWLSXRGMD-CABCVRRESA-N 2 1 302.422 1.345 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001158894553 769996148 /nfs/dbraw/zinc/99/61/48/769996148.db2.gz UNZVLJAMLYTGBI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001158894553 769996159 /nfs/dbraw/zinc/99/61/59/769996159.db2.gz UNZVLJAMLYTGBI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158894553 769996164 /nfs/dbraw/zinc/99/61/64/769996164.db2.gz UNZVLJAMLYTGBI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001158894553 769996172 /nfs/dbraw/zinc/99/61/72/769996172.db2.gz UNZVLJAMLYTGBI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2C1 ZINC001048939529 770142982 /nfs/dbraw/zinc/14/29/82/770142982.db2.gz RHDIEQKDKLOUNR-IYBDPMFKSA-N 2 1 308.385 1.361 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[C@H]1C ZINC001071958300 770348757 /nfs/dbraw/zinc/34/87/57/770348757.db2.gz WVCCNFBHGNDQAR-NVXWUHKLSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049095054 770363433 /nfs/dbraw/zinc/36/34/33/770363433.db2.gz UMUDQWQDGKYJIS-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107263 770385306 /nfs/dbraw/zinc/38/53/06/770385306.db2.gz CFMGKMPFRDSJLB-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107263 770385319 /nfs/dbraw/zinc/38/53/19/770385319.db2.gz CFMGKMPFRDSJLB-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107263 770385330 /nfs/dbraw/zinc/38/53/30/770385330.db2.gz CFMGKMPFRDSJLB-XWTMOSNGSA-N 2 1 315.461 1.417 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001086717217 770646434 /nfs/dbraw/zinc/64/64/34/770646434.db2.gz MMFONNMARZAIGV-ZNMIVQPWSA-N 2 1 302.422 1.821 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049483624 770914871 /nfs/dbraw/zinc/91/48/71/770914871.db2.gz BAACMUZFYGHXBW-NCOADZHNSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049483624 770914874 /nfs/dbraw/zinc/91/48/74/770914874.db2.gz BAACMUZFYGHXBW-NCOADZHNSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049483624 770914883 /nfs/dbraw/zinc/91/48/83/770914883.db2.gz BAACMUZFYGHXBW-NCOADZHNSA-N 2 1 303.450 1.415 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688872 771089058 /nfs/dbraw/zinc/08/90/58/771089058.db2.gz XDDUKZIVURCKQX-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC#CCOC ZINC001134773020 771167569 /nfs/dbraw/zinc/16/75/69/771167569.db2.gz JJSWXDQFWGQLFZ-LSDHHAIUSA-N 2 1 311.470 1.239 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846891 771204361 /nfs/dbraw/zinc/20/43/61/771204361.db2.gz OCWKJQUZTFXHSD-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049846890 771204426 /nfs/dbraw/zinc/20/44/26/771204426.db2.gz OCWKJQUZTFXHSD-HOTGVXAUSA-N 2 1 301.434 1.171 20 30 DDEDMP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001073740711 773361713 /nfs/dbraw/zinc/36/17/13/773361713.db2.gz IWNNQHVSLAQWRN-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073740711 773361720 /nfs/dbraw/zinc/36/17/20/773361720.db2.gz IWNNQHVSLAQWRN-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001073740711 773361727 /nfs/dbraw/zinc/36/17/27/773361727.db2.gz IWNNQHVSLAQWRN-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001148206003 773388812 /nfs/dbraw/zinc/38/88/12/773388812.db2.gz TZVKSPBLXGIFRP-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001073801758 773424031 /nfs/dbraw/zinc/42/40/31/773424031.db2.gz UBWKBWRNKKHLOC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001073801758 773424034 /nfs/dbraw/zinc/42/40/34/773424034.db2.gz UBWKBWRNKKHLOC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801758 773424037 /nfs/dbraw/zinc/42/40/37/773424037.db2.gz UBWKBWRNKKHLOC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001073801758 773424039 /nfs/dbraw/zinc/42/40/39/773424039.db2.gz UBWKBWRNKKHLOC-SJORKVTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001092302290 774053354 /nfs/dbraw/zinc/05/33/54/774053354.db2.gz XFXUKXIKZADBBU-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302290 774053357 /nfs/dbraw/zinc/05/33/57/774053357.db2.gz XFXUKXIKZADBBU-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001092302290 774053361 /nfs/dbraw/zinc/05/33/61/774053361.db2.gz XFXUKXIKZADBBU-LMMKCTJWSA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001092763100 774253621 /nfs/dbraw/zinc/25/36/21/774253621.db2.gz OXEQAWHVXJXDRV-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001092763100 774253623 /nfs/dbraw/zinc/25/36/23/774253623.db2.gz OXEQAWHVXJXDRV-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC001092763100 774253628 /nfs/dbraw/zinc/25/36/28/774253628.db2.gz OXEQAWHVXJXDRV-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092913688 774300311 /nfs/dbraw/zinc/30/03/11/774300311.db2.gz UVJIIYMGUCOXPB-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092913688 774300318 /nfs/dbraw/zinc/30/03/18/774300318.db2.gz UVJIIYMGUCOXPB-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001092913688 774300327 /nfs/dbraw/zinc/30/03/27/774300327.db2.gz UVJIIYMGUCOXPB-LTIDMASMSA-N 2 1 307.482 1.977 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001093093907 774407513 /nfs/dbraw/zinc/40/75/13/774407513.db2.gz UFTJSPPNRQOQCF-NVXWUHKLSA-N 2 1 305.466 1.424 20 30 DDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001093413201 774674098 /nfs/dbraw/zinc/67/40/98/774674098.db2.gz NVEUFVWGYIYHFP-KLHKWILBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001099031541 774783345 /nfs/dbraw/zinc/78/33/45/774783345.db2.gz YDINXFHMEHWXMY-YJBOKZPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099031541 774783349 /nfs/dbraw/zinc/78/33/49/774783349.db2.gz YDINXFHMEHWXMY-YJBOKZPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001099031541 774783354 /nfs/dbraw/zinc/78/33/54/774783354.db2.gz YDINXFHMEHWXMY-YJBOKZPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001099060457 774802576 /nfs/dbraw/zinc/80/25/76/774802576.db2.gz ZWYWYZMQJHDQPI-AOIWGVFYSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036835463 774809750 /nfs/dbraw/zinc/80/97/50/774809750.db2.gz ASCOUNWCRBRWCB-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[NH+]1CC(OC2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC001093574264 774847312 /nfs/dbraw/zinc/84/73/12/774847312.db2.gz VKGWSQLNTIHLFN-KRWDZBQOSA-N 2 1 323.481 1.595 20 30 DDEDMP CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001099340101 774952824 /nfs/dbraw/zinc/95/28/24/774952824.db2.gz OXBUKDXTIKBMAC-INIZCTEOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CC[NH+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[N@H+](C)CCC)C1 ZINC001099554470 775028138 /nfs/dbraw/zinc/02/81/38/775028138.db2.gz ZIZJMGFVZBPVIU-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099554470 775028146 /nfs/dbraw/zinc/02/81/46/775028146.db2.gz ZIZJMGFVZBPVIU-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)CCC)C1 ZINC001099554470 775028155 /nfs/dbraw/zinc/02/81/55/775028155.db2.gz ZIZJMGFVZBPVIU-QAETUUGQSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[NH2+]CCCC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001171630139 776354512 /nfs/dbraw/zinc/35/45/12/776354512.db2.gz WKIAOUBWOHSPAJ-AWEZNQCLSA-N 2 1 320.437 1.638 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001100758151 776506062 /nfs/dbraw/zinc/50/60/62/776506062.db2.gz ZPEKQGZEPZEIES-UHFFFAOYSA-N 2 1 302.422 1.479 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101171828 776965150 /nfs/dbraw/zinc/96/51/50/776965150.db2.gz MTXMZXBYKIEILH-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171828 776965154 /nfs/dbraw/zinc/96/51/54/776965154.db2.gz MTXMZXBYKIEILH-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101171828 776965158 /nfs/dbraw/zinc/96/51/58/776965158.db2.gz MTXMZXBYKIEILH-NUJGCVRESA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819380 778425629 /nfs/dbraw/zinc/42/56/29/778425629.db2.gz RWCIPGHWPKHEER-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001102819380 778425636 /nfs/dbraw/zinc/42/56/36/778425636.db2.gz RWCIPGHWPKHEER-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001102819380 778425644 /nfs/dbraw/zinc/42/56/44/778425644.db2.gz RWCIPGHWPKHEER-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001102819380 778425650 /nfs/dbraw/zinc/42/56/50/778425650.db2.gz RWCIPGHWPKHEER-ZACQAIPSSA-N 2 1 323.481 1.357 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102976947 778519481 /nfs/dbraw/zinc/51/94/81/778519481.db2.gz FFYYLXXWMXHUIU-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102976947 778519488 /nfs/dbraw/zinc/51/94/88/778519488.db2.gz FFYYLXXWMXHUIU-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102976947 778519495 /nfs/dbraw/zinc/51/94/95/778519495.db2.gz FFYYLXXWMXHUIU-KZNAEPCWSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCCC)C[C@H]1C ZINC001103099685 778639268 /nfs/dbraw/zinc/63/92/68/778639268.db2.gz SSIUQWBHXNEGJP-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103099685 778639274 /nfs/dbraw/zinc/63/92/74/778639274.db2.gz SSIUQWBHXNEGJP-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCC)C[C@H]1C ZINC001103099685 778639276 /nfs/dbraw/zinc/63/92/76/778639276.db2.gz SSIUQWBHXNEGJP-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCCC)C[C@H]1C ZINC001103099685 778639283 /nfs/dbraw/zinc/63/92/83/778639283.db2.gz SSIUQWBHXNEGJP-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001103359049 778814517 /nfs/dbraw/zinc/81/45/17/778814517.db2.gz FWURDCNZUTWPDX-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359049 778814524 /nfs/dbraw/zinc/81/45/24/778814524.db2.gz FWURDCNZUTWPDX-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001103359049 778814530 /nfs/dbraw/zinc/81/45/30/778814530.db2.gz FWURDCNZUTWPDX-KZNAEPCWSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103436431 778866611 /nfs/dbraw/zinc/86/66/11/778866611.db2.gz XQSUWCACCZNPEE-GVDBMIGSSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103436431 778866616 /nfs/dbraw/zinc/86/66/16/778866616.db2.gz XQSUWCACCZNPEE-GVDBMIGSSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001103436431 778866620 /nfs/dbraw/zinc/86/66/20/778866620.db2.gz XQSUWCACCZNPEE-GVDBMIGSSA-N 2 1 305.466 1.426 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103752542 779030191 /nfs/dbraw/zinc/03/01/91/779030191.db2.gz LCNHJMCJZKMHNK-IAGOWNOFSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104185688 779358861 /nfs/dbraw/zinc/35/88/61/779358861.db2.gz KEOZSPYGONYXOX-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401728 779760429 /nfs/dbraw/zinc/76/04/29/779760429.db2.gz VOUIOSTYEICZOX-YJBOKZPZSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCC=C)C[C@H]32)CC1 ZINC001115290143 780009811 /nfs/dbraw/zinc/00/98/11/780009811.db2.gz OAYKBWPFDFAIAL-PIIMJCKOSA-N 2 1 315.461 1.344 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001115305743 780023955 /nfs/dbraw/zinc/02/39/55/780023955.db2.gz CELQYSSPXSCLJR-MLHJIOFPSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CCCCC1 ZINC001115536870 780222046 /nfs/dbraw/zinc/22/20/46/780222046.db2.gz KRWRQQLJPYACEU-SJORKVTESA-N 2 1 317.477 1.903 20 30 DDEDMP C#CC[C@@H](COC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001118806275 781243058 /nfs/dbraw/zinc/24/30/58/781243058.db2.gz SLKCQIIBWNBEFJ-INIZCTEOSA-N 2 1 319.424 1.705 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001267132648 837401241 /nfs/dbraw/zinc/40/12/41/837401241.db2.gz QQLJBVIHODEPEW-CJNGLKHVSA-N 2 1 318.421 1.065 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001267132648 837401244 /nfs/dbraw/zinc/40/12/44/837401244.db2.gz QQLJBVIHODEPEW-CJNGLKHVSA-N 2 1 318.421 1.065 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001279588763 837441253 /nfs/dbraw/zinc/44/12/53/837441253.db2.gz UPOCHQMCYMDNHV-IXDOHACOSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC/C=C/CC)C1 ZINC001266599406 836516740 /nfs/dbraw/zinc/51/67/40/836516740.db2.gz KADCIZFGUAEDTG-WEFMNJOJSA-N 2 1 303.450 1.677 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC/C=C/CC)C1 ZINC001266599406 836516744 /nfs/dbraw/zinc/51/67/44/836516744.db2.gz KADCIZFGUAEDTG-WEFMNJOJSA-N 2 1 303.450 1.677 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001266638585 836576428 /nfs/dbraw/zinc/57/64/28/836576428.db2.gz ZHKHEQQIFUJUGB-YHUYYLMFSA-N 2 1 309.454 1.299 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001266638585 836576418 /nfs/dbraw/zinc/57/64/18/836576418.db2.gz ZHKHEQQIFUJUGB-YHUYYLMFSA-N 2 1 309.454 1.299 20 30 DDEDMP COCC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266858665 836951019 /nfs/dbraw/zinc/95/10/19/836951019.db2.gz VCMVNSSNFDSZJV-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP COCC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266858665 836951030 /nfs/dbraw/zinc/95/10/30/836951030.db2.gz VCMVNSSNFDSZJV-IRXDYDNUSA-N 2 1 323.481 1.193 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CC#CCOC)C1 ZINC001266898232 837022053 /nfs/dbraw/zinc/02/20/53/837022053.db2.gz UATBITNATRRZHB-SJORKVTESA-N 2 1 323.481 1.195 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC001266898232 837022066 /nfs/dbraw/zinc/02/20/66/837022066.db2.gz UATBITNATRRZHB-SJORKVTESA-N 2 1 323.481 1.195 20 30 DDEDMP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC#CCOC)C1 ZINC001266898232 837022080 /nfs/dbraw/zinc/02/20/80/837022080.db2.gz UATBITNATRRZHB-SJORKVTESA-N 2 1 323.481 1.195 20 30 DDEDMP C#CCC[N@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001267335069 837850445 /nfs/dbraw/zinc/85/04/45/837850445.db2.gz LPYSXUODXVVZBW-UHFFFAOYSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nccs2)CC1 ZINC001267472934 838129968 /nfs/dbraw/zinc/12/99/68/838129968.db2.gz CCFISTJBORLODB-UHFFFAOYSA-N 2 1 320.462 1.036 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267549476 838287885 /nfs/dbraw/zinc/28/78/85/838287885.db2.gz XICARSMZUSKDRF-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267549476 838287879 /nfs/dbraw/zinc/28/78/79/838287879.db2.gz XICARSMZUSKDRF-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267549476 838287892 /nfs/dbraw/zinc/28/78/92/838287892.db2.gz XICARSMZUSKDRF-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001267570665 838329243 /nfs/dbraw/zinc/32/92/43/838329243.db2.gz DCRIJPCCRNAORY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001267570665 838329253 /nfs/dbraw/zinc/32/92/53/838329253.db2.gz DCRIJPCCRNAORY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267570665 838329261 /nfs/dbraw/zinc/32/92/61/838329261.db2.gz DCRIJPCCRNAORY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001267570665 838329265 /nfs/dbraw/zinc/32/92/65/838329265.db2.gz DCRIJPCCRNAORY-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP COCC#CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001267763975 838903148 /nfs/dbraw/zinc/90/31/48/838903148.db2.gz JJNAHZRXTQEURN-UHFFFAOYSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001267763975 838903158 /nfs/dbraw/zinc/90/31/58/838903158.db2.gz JJNAHZRXTQEURN-UHFFFAOYSA-N 2 1 323.481 1.147 20 30 DDEDMP COCC#CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001267763975 838903168 /nfs/dbraw/zinc/90/31/68/838903168.db2.gz JJNAHZRXTQEURN-UHFFFAOYSA-N 2 1 323.481 1.147 20 30 DDEDMP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001284011822 839365335 /nfs/dbraw/zinc/36/53/35/839365335.db2.gz AMCSCSMVXGEPBN-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268029674 839446391 /nfs/dbraw/zinc/44/63/91/839446391.db2.gz XKHJOEXZCQBMLG-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268029674 839446396 /nfs/dbraw/zinc/44/63/96/839446396.db2.gz XKHJOEXZCQBMLG-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268104611 839693763 /nfs/dbraw/zinc/69/37/63/839693763.db2.gz JLLGRJMXQGBBRN-IXDOHACOSA-N 2 1 307.482 1.861 20 30 DDEDMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001268120662 839713272 /nfs/dbraw/zinc/71/32/72/839713272.db2.gz WYDPWBQPSQRETC-IAGOWNOFSA-N 2 1 305.466 1.759 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1 ZINC001268630607 840601330 /nfs/dbraw/zinc/60/13/30/840601330.db2.gz NFRIAFJATBQGLD-SNAWJCMRSA-N 2 1 314.433 1.660 20 30 DDEDMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001269460110 841659650 /nfs/dbraw/zinc/65/96/50/841659650.db2.gz DVRPXHOVSOFWGW-LSDHHAIUSA-N 2 1 302.422 1.262 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001326291381 861260477 /nfs/dbraw/zinc/26/04/77/861260477.db2.gz WJUVWWOANNFHSL-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001270336514 842497521 /nfs/dbraw/zinc/49/75/21/842497521.db2.gz OHOYCELDCWFVNR-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001270336514 842497527 /nfs/dbraw/zinc/49/75/27/842497527.db2.gz OHOYCELDCWFVNR-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001270336514 842497529 /nfs/dbraw/zinc/49/75/29/842497529.db2.gz OHOYCELDCWFVNR-UHFFFAOYSA-N 2 1 305.466 1.666 20 30 DDEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001326567512 861451877 /nfs/dbraw/zinc/45/18/77/861451877.db2.gz UYUQSYJRIFFRSB-JYJNAYRXSA-N 2 1 309.454 1.158 20 30 DDEDMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001326567512 861451887 /nfs/dbraw/zinc/45/18/87/861451887.db2.gz UYUQSYJRIFFRSB-JYJNAYRXSA-N 2 1 309.454 1.158 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@H+](CC3(C)CC[NH+](C)CC3)C2)C1=O ZINC001273101608 847910773 /nfs/dbraw/zinc/91/07/73/847910773.db2.gz YAONHABHUBIMDJ-GOSISDBHSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001327189266 861955457 /nfs/dbraw/zinc/95/54/57/861955457.db2.gz QFYQQEIQDTXVLA-HOTGVXAUSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001327189266 861955469 /nfs/dbraw/zinc/95/54/69/861955469.db2.gz QFYQQEIQDTXVLA-HOTGVXAUSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001327189266 861955479 /nfs/dbraw/zinc/95/54/79/861955479.db2.gz QFYQQEIQDTXVLA-HOTGVXAUSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001327189266 861955492 /nfs/dbraw/zinc/95/54/92/861955492.db2.gz QFYQQEIQDTXVLA-HOTGVXAUSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC001093164331 850857022 /nfs/dbraw/zinc/85/70/22/850857022.db2.gz YRQHFMWHHCYHCB-NUJGCVRESA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](C)C1 ZINC001093164331 850857027 /nfs/dbraw/zinc/85/70/27/850857027.db2.gz YRQHFMWHHCYHCB-NUJGCVRESA-N 2 1 305.466 1.733 20 30 DDEDMP C=CCC[NH+]1C[C@@H](CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)[C@H](C)C1 ZINC001093164331 850857036 /nfs/dbraw/zinc/85/70/36/850857036.db2.gz YRQHFMWHHCYHCB-NUJGCVRESA-N 2 1 305.466 1.733 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274267914 852110299 /nfs/dbraw/zinc/11/02/99/852110299.db2.gz HBQWWPKZZGBZJK-SFHVURJKSA-N 2 1 308.385 1.763 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+]2Cc2cc3c[nH+]ccc3[nH]2)C1=O ZINC001274267914 852110301 /nfs/dbraw/zinc/11/03/01/852110301.db2.gz HBQWWPKZZGBZJK-SFHVURJKSA-N 2 1 308.385 1.763 20 30 DDEDMP C=CCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001274364417 852192848 /nfs/dbraw/zinc/19/28/48/852192848.db2.gz XOYHDHBKEQQFSP-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]C/C=C\CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001274368508 852198778 /nfs/dbraw/zinc/19/87/78/852198778.db2.gz MFTGUEZPHILGEM-ARJAWSKDSA-N 2 1 318.421 1.722 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001274382041 852217567 /nfs/dbraw/zinc/21/75/67/852217567.db2.gz ICCJPUAKALLYOC-INIZCTEOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001274382042 852218717 /nfs/dbraw/zinc/21/87/17/852218717.db2.gz ICCJPUAKALLYOC-MRXNPFEDSA-N 2 1 305.466 1.853 20 30 DDEDMP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001275432253 853110678 /nfs/dbraw/zinc/11/06/78/853110678.db2.gz ABDLWJCEIYPSKF-OLZOCXBDSA-N 2 1 308.426 1.799 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001150779552 862465280 /nfs/dbraw/zinc/46/52/80/862465280.db2.gz USCVHEVGECXCPU-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001275632739 853460922 /nfs/dbraw/zinc/46/09/22/853460922.db2.gz MGZCVLSSVKXOTJ-KLAILNCOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001275698849 853589175 /nfs/dbraw/zinc/58/91/75/853589175.db2.gz UJMROCIPIAGOAZ-HNNXBMFYSA-N 2 1 305.466 1.568 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001449136038 854220247 /nfs/dbraw/zinc/22/02/47/854220247.db2.gz JSRDNSXSUUUMGV-UONOGXRCSA-N 2 1 317.861 1.022 20 30 DDEDMP C=CCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001072741111 857662239 /nfs/dbraw/zinc/66/22/39/857662239.db2.gz XTALFVCVHDBTEO-INIZCTEOSA-N 2 1 303.450 1.439 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC1CC1)C2 ZINC001072822471 857758386 /nfs/dbraw/zinc/75/83/86/857758386.db2.gz IHDROHIUAJSMAH-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCC1CC1)C2 ZINC001072822471 857758399 /nfs/dbraw/zinc/75/83/99/857758399.db2.gz IHDROHIUAJSMAH-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCC1CC1)C2 ZINC001072822471 857758410 /nfs/dbraw/zinc/75/84/10/857758410.db2.gz IHDROHIUAJSMAH-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCC1CC1)C2 ZINC001072822471 857758414 /nfs/dbraw/zinc/75/84/14/857758414.db2.gz IHDROHIUAJSMAH-KRWDZBQOSA-N 2 1 315.461 1.418 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001072847389 857793277 /nfs/dbraw/zinc/79/32/77/857793277.db2.gz GMXGWPFXSKGNPS-UHFFFAOYSA-N 2 1 303.450 1.583 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923342 857893282 /nfs/dbraw/zinc/89/32/82/857893282.db2.gz ZADPMKAZOICJAR-UHFFFAOYSA-N 2 1 303.406 1.675 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923342 857893289 /nfs/dbraw/zinc/89/32/89/857893289.db2.gz ZADPMKAZOICJAR-UHFFFAOYSA-N 2 1 303.406 1.675 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001073454746 858351156 /nfs/dbraw/zinc/35/11/56/858351156.db2.gz QQFOQULHJYITCR-HOTGVXAUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCOCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001224546369 881442633 /nfs/dbraw/zinc/44/26/33/881442633.db2.gz LWVWLZWXMHSJQP-WBVHZDCISA-N 2 1 323.481 1.215 20 30 DDEDMP C=CCC[C@H](C)N1CC(CCO)(NC(=O)Cc2[nH]cnc2C)C1 ZINC001329707056 863802614 /nfs/dbraw/zinc/80/26/14/863802614.db2.gz AONJJZFCBFTBLU-ZDUSSCGKSA-N 2 1 320.437 1.168 20 30 DDEDMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001330852222 864655150 /nfs/dbraw/zinc/65/51/50/864655150.db2.gz QXLYYGNSJASUBC-CYBMUJFWSA-N 2 1 306.410 1.248 20 30 DDEDMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001330898592 864688247 /nfs/dbraw/zinc/68/82/47/864688247.db2.gz HMMPBEQLOIIRJS-UKRRQHHQSA-N 2 1 304.438 1.814 20 30 DDEDMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001330952928 864731614 /nfs/dbraw/zinc/73/16/14/864731614.db2.gz AIKPGAAWUGERAF-ZIAGYGMSSA-N 2 1 301.862 1.955 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001158900425 864963249 /nfs/dbraw/zinc/96/32/49/864963249.db2.gz FJXHGPOZUCBEAN-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001158900425 864963254 /nfs/dbraw/zinc/96/32/54/864963254.db2.gz FJXHGPOZUCBEAN-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158900425 864963259 /nfs/dbraw/zinc/96/32/59/864963259.db2.gz FJXHGPOZUCBEAN-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001158900425 864963263 /nfs/dbraw/zinc/96/32/63/864963263.db2.gz FJXHGPOZUCBEAN-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001160197865 865722880 /nfs/dbraw/zinc/72/28/80/865722880.db2.gz LAGIMVFEXPGJRK-KRWDZBQOSA-N 2 1 317.408 1.519 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1F ZINC001160197865 865722885 /nfs/dbraw/zinc/72/28/85/865722885.db2.gz LAGIMVFEXPGJRK-KRWDZBQOSA-N 2 1 317.408 1.519 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001332312174 865750473 /nfs/dbraw/zinc/75/04/73/865750473.db2.gz WSRYUURJAJWHEN-JKSUJKDBSA-N 2 1 316.449 1.904 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001160499277 865885466 /nfs/dbraw/zinc/88/54/66/865885466.db2.gz ARSZRTGFAGGKDF-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499277 865885473 /nfs/dbraw/zinc/88/54/73/865885473.db2.gz ARSZRTGFAGGKDF-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001160499277 865885482 /nfs/dbraw/zinc/88/54/82/865885482.db2.gz ARSZRTGFAGGKDF-KRWDZBQOSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001225590821 881925657 /nfs/dbraw/zinc/92/56/57/881925657.db2.gz GISMETVZSLNIEA-SFHVURJKSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001332664925 866044165 /nfs/dbraw/zinc/04/41/65/866044165.db2.gz OBQWTESYQTVUPL-DLBZAZTESA-N 2 1 323.481 1.025 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC001319710157 866240820 /nfs/dbraw/zinc/24/08/20/866240820.db2.gz SAITZWANQFNQQD-HOTGVXAUSA-N 2 1 316.449 1.856 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001161208092 866443951 /nfs/dbraw/zinc/44/39/51/866443951.db2.gz ZLTFLUVELVTPDV-DOTOQJQBSA-N 2 1 303.450 1.346 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001161208092 866443952 /nfs/dbraw/zinc/44/39/52/866443952.db2.gz ZLTFLUVELVTPDV-DOTOQJQBSA-N 2 1 303.450 1.346 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001161208092 866443953 /nfs/dbraw/zinc/44/39/53/866443953.db2.gz ZLTFLUVELVTPDV-DOTOQJQBSA-N 2 1 303.450 1.346 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC#Cc2ccccc2)CC1 ZINC001323613895 866722225 /nfs/dbraw/zinc/72/22/25/866722225.db2.gz MLAVHFWHVGLQSB-UHFFFAOYSA-N 2 1 322.412 1.482 20 30 DDEDMP C#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001323640773 866742124 /nfs/dbraw/zinc/74/21/24/866742124.db2.gz FGKMDVUXNOPFPK-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001323640773 866742135 /nfs/dbraw/zinc/74/21/35/866742135.db2.gz FGKMDVUXNOPFPK-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+]1CC=C(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001161704463 866909188 /nfs/dbraw/zinc/90/91/88/866909188.db2.gz AIYLPVJOOSITBV-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161704463 866909200 /nfs/dbraw/zinc/90/92/00/866909200.db2.gz AIYLPVJOOSITBV-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001161704463 866909214 /nfs/dbraw/zinc/90/92/14/866909214.db2.gz AIYLPVJOOSITBV-KRWDZBQOSA-N 2 1 303.450 1.490 20 30 DDEDMP CC#CC[NH2+]CCN(CC)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001320840435 867066971 /nfs/dbraw/zinc/06/69/71/867066971.db2.gz ISRZSSJYWHNNPZ-UHFFFAOYSA-N 2 1 318.421 1.345 20 30 DDEDMP C=CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C)(COC)CC1 ZINC001162171599 867313374 /nfs/dbraw/zinc/31/33/74/867313374.db2.gz QZFYXZXBTLRMBM-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(Cl)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164578912 869302115 /nfs/dbraw/zinc/30/21/15/869302115.db2.gz YVWUHJXRPHFTIC-ZIAGYGMSSA-N 2 1 313.873 1.955 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001165568518 869641526 /nfs/dbraw/zinc/64/15/26/869641526.db2.gz JIUKPTRZLHHIGC-INIZCTEOSA-N 2 1 305.466 1.760 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165728359 869693776 /nfs/dbraw/zinc/69/37/76/869693776.db2.gz QEHVIYAQQOBOIX-HUUCEWRRSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165728359 869693782 /nfs/dbraw/zinc/69/37/82/869693782.db2.gz QEHVIYAQQOBOIX-HUUCEWRRSA-N 2 1 309.454 1.158 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001166707501 870178281 /nfs/dbraw/zinc/17/82/81/870178281.db2.gz GVQFBAVVCKYKHB-FUHWJXTLSA-N 2 1 313.445 1.332 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC001338995148 870285776 /nfs/dbraw/zinc/28/57/76/870285776.db2.gz FMRIZBSNMIRENK-KRWDZBQOSA-N 2 1 301.434 1.840 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001203798577 870765837 /nfs/dbraw/zinc/76/58/37/870765837.db2.gz ZFHSSVXZIBWNHS-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001203798577 870765846 /nfs/dbraw/zinc/76/58/46/870765846.db2.gz ZFHSSVXZIBWNHS-DOTOQJQBSA-N 2 1 323.481 1.642 20 30 DDEDMP CC#CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001317554385 871064296 /nfs/dbraw/zinc/06/42/96/871064296.db2.gz VCYGHPCFWXTCOR-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001317554385 871064321 /nfs/dbraw/zinc/06/43/21/871064321.db2.gz VCYGHPCFWXTCOR-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001317554385 871064342 /nfs/dbraw/zinc/06/43/42/871064342.db2.gz VCYGHPCFWXTCOR-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001317554385 871064360 /nfs/dbraw/zinc/06/43/60/871064360.db2.gz VCYGHPCFWXTCOR-IRXDYDNUSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001205462429 871566450 /nfs/dbraw/zinc/56/64/50/871566450.db2.gz XXWRBRJXTRVZMN-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](C)CC)CC1 ZINC001205479204 871576035 /nfs/dbraw/zinc/57/60/35/871576035.db2.gz DAEQWAMEDZDXMV-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H](C)CC)CC1 ZINC001205479204 871576047 /nfs/dbraw/zinc/57/60/47/871576047.db2.gz DAEQWAMEDZDXMV-AEFFLSMTSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001205585606 871641464 /nfs/dbraw/zinc/64/14/64/871641464.db2.gz IUNKWABGTZULMA-UHFFFAOYSA-N 2 1 320.437 1.754 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001313441326 871799796 /nfs/dbraw/zinc/79/97/96/871799796.db2.gz GYRZAYDBULLDBZ-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CC ZINC001226859966 882692807 /nfs/dbraw/zinc/69/28/07/882692807.db2.gz FEGUBKSEYKUYSO-ZACQAIPSSA-N 2 1 301.434 1.124 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC#CC ZINC001226859966 882692811 /nfs/dbraw/zinc/69/28/11/882692811.db2.gz FEGUBKSEYKUYSO-ZACQAIPSSA-N 2 1 301.434 1.124 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001208331024 874021204 /nfs/dbraw/zinc/02/12/04/874021204.db2.gz JJIHVUJUCWODQI-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001208576218 874280458 /nfs/dbraw/zinc/28/04/58/874280458.db2.gz DYJDEQBUHNUPIN-OAHLLOKOSA-N 2 1 314.433 1.366 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209642034 875030114 /nfs/dbraw/zinc/03/01/14/875030114.db2.gz LITHNRAGNQWLPE-CVEARBPZSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213721443 876029804 /nfs/dbraw/zinc/02/98/04/876029804.db2.gz OQZOKPBKQJFLTA-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213721443 876029822 /nfs/dbraw/zinc/02/98/22/876029822.db2.gz OQZOKPBKQJFLTA-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213721443 876029838 /nfs/dbraw/zinc/02/98/38/876029838.db2.gz OQZOKPBKQJFLTA-BZUAXINKSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213744958 876042675 /nfs/dbraw/zinc/04/26/75/876042675.db2.gz QUGOLHBJPUBYPL-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP Cn1cc(CN2C[C@H]3C[C@@H](C2)[N@@H+]3CC2CC[NH2+]CC2)cc1C#N ZINC001276714089 876448242 /nfs/dbraw/zinc/44/82/42/876448242.db2.gz PSHGWCVKPHCEHH-HDICACEKSA-N 2 1 313.449 1.155 20 30 DDEDMP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1ccccc1C#N ZINC001379468997 877150741 /nfs/dbraw/zinc/15/07/41/877150741.db2.gz UAJRFJCXRVINLT-CQSZACIVSA-N 2 1 302.422 1.493 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001222086035 880232441 /nfs/dbraw/zinc/23/24/41/880232441.db2.gz BHEROCKJXLBAON-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001222086035 880232454 /nfs/dbraw/zinc/23/24/54/880232454.db2.gz BHEROCKJXLBAON-KRWDZBQOSA-N 2 1 301.434 1.885 20 30 DDEDMP C=CCOCC[NH+]1CCC(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001230107642 884328466 /nfs/dbraw/zinc/32/84/66/884328466.db2.gz QINSMKITXVTBSA-UHFFFAOYSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CC[N@@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230849139 884959803 /nfs/dbraw/zinc/95/98/03/884959803.db2.gz JALCJJLHWFEIKE-KRWDZBQOSA-N 2 1 316.449 1.363 20 30 DDEDMP C#CC[N@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)Cc1cccnc1 ZINC001230849139 884959821 /nfs/dbraw/zinc/95/98/21/884959821.db2.gz JALCJJLHWFEIKE-KRWDZBQOSA-N 2 1 316.449 1.363 20 30 DDEDMP N#CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001277941891 888603142 /nfs/dbraw/zinc/60/31/42/888603142.db2.gz WSRKLJJCAYRRPU-YESZJQIVSA-N 2 1 316.449 1.450 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@H](O)CCCCC ZINC001246002659 892318503 /nfs/dbraw/zinc/31/85/03/892318503.db2.gz REYZAYDXVRFRFR-CABCVRRESA-N 2 1 300.443 1.744 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001278453026 892695145 /nfs/dbraw/zinc/69/51/45/892695145.db2.gz QESHWFACOLTPCI-FUHWJXTLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001278453026 892695155 /nfs/dbraw/zinc/69/51/55/892695155.db2.gz QESHWFACOLTPCI-FUHWJXTLSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001278453026 892695167 /nfs/dbraw/zinc/69/51/67/892695167.db2.gz QESHWFACOLTPCI-FUHWJXTLSA-N 2 1 303.450 1.607 20 30 DDEDMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001366452315 893606624 /nfs/dbraw/zinc/60/66/24/893606624.db2.gz MUDMEZLJSKXKSD-RHSMWYFYSA-N 2 1 314.433 1.637 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCN2CCOCC2)[C@@H]1C ZINC001278520259 894052605 /nfs/dbraw/zinc/05/26/05/894052605.db2.gz DAYHIWZDKZEKPJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001278520259 894052640 /nfs/dbraw/zinc/05/26/40/894052640.db2.gz DAYHIWZDKZEKPJ-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001251818979 894822553 /nfs/dbraw/zinc/82/25/53/894822553.db2.gz DPDJUIJZUCHQQU-GOSISDBHSA-N 2 1 302.418 1.251 20 30 DDEDMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]2C1 ZINC001254665187 896562578 /nfs/dbraw/zinc/56/25/78/896562578.db2.gz ZLZVSJHZHDQDSN-YLFCFFPRSA-N 2 1 307.438 1.348 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]2C1 ZINC001254665187 896562587 /nfs/dbraw/zinc/56/25/87/896562587.db2.gz ZLZVSJHZHDQDSN-YLFCFFPRSA-N 2 1 307.438 1.348 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]2C1 ZINC001254665187 896562591 /nfs/dbraw/zinc/56/25/91/896562591.db2.gz ZLZVSJHZHDQDSN-YLFCFFPRSA-N 2 1 307.438 1.348 20 30 DDEDMP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001367548389 897132861 /nfs/dbraw/zinc/13/28/61/897132861.db2.gz UIJHAEBMTIJAGR-UHFFFAOYSA-N 2 1 322.478 1.852 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc(C#N)s1 ZINC001367548389 897132866 /nfs/dbraw/zinc/13/28/66/897132866.db2.gz UIJHAEBMTIJAGR-UHFFFAOYSA-N 2 1 322.478 1.852 20 30 DDEDMP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1ccc(C#N)s1 ZINC001367548389 897132878 /nfs/dbraw/zinc/13/28/78/897132878.db2.gz UIJHAEBMTIJAGR-UHFFFAOYSA-N 2 1 322.478 1.852 20 30 DDEDMP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC001367548389 897132884 /nfs/dbraw/zinc/13/28/84/897132884.db2.gz UIJHAEBMTIJAGR-UHFFFAOYSA-N 2 1 322.478 1.852 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001264421778 901109021 /nfs/dbraw/zinc/10/90/21/901109021.db2.gz SXFGUWJMCJNXIK-KKUMJFAQSA-N 2 1 302.422 1.514 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001265526079 902096169 /nfs/dbraw/zinc/09/61/69/902096169.db2.gz QWWPWCYKDBTRGB-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001265526079 902096181 /nfs/dbraw/zinc/09/61/81/902096181.db2.gz QWWPWCYKDBTRGB-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001265526079 902096196 /nfs/dbraw/zinc/09/61/96/902096196.db2.gz QWWPWCYKDBTRGB-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265570340 902139727 /nfs/dbraw/zinc/13/97/27/902139727.db2.gz ZQRVQROUAYQFBJ-HDICACEKSA-N 2 1 322.412 1.480 20 30 DDEDMP C#CCC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001279368343 903236510 /nfs/dbraw/zinc/23/65/10/903236510.db2.gz OWLIOYGAHVTVIS-INIZCTEOSA-N 2 1 317.477 1.712 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC001392114337 903310867 /nfs/dbraw/zinc/31/08/67/903310867.db2.gz FHOFCWWFNCCMME-CYBMUJFWSA-N 2 1 322.478 1.898 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)Cc2ncc[nH]2)CC1 ZINC001280759097 903997852 /nfs/dbraw/zinc/99/78/52/903997852.db2.gz JJQJELLLXRJMFG-AWEZNQCLSA-N 2 1 306.410 1.126 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001392577187 904514585 /nfs/dbraw/zinc/51/45/85/904514585.db2.gz SIEQZQOGKLYFFA-YOEHRIQHSA-N 2 1 314.433 1.637 20 30 DDEDMP C#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC001284155065 908562724 /nfs/dbraw/zinc/56/27/24/908562724.db2.gz QXPVYTDTXCNJMB-QZTJIDSGSA-N 2 1 313.445 1.279 20 30 DDEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)c(F)c1 ZINC001285004202 909926912 /nfs/dbraw/zinc/92/69/12/909926912.db2.gz GWFKKKJSEAGQCV-MRXNPFEDSA-N 2 1 321.396 1.048 20 30 DDEDMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c(F)c1 ZINC001285004202 909926929 /nfs/dbraw/zinc/92/69/29/909926929.db2.gz GWFKKKJSEAGQCV-MRXNPFEDSA-N 2 1 321.396 1.048 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCCC1(C#N)CCOCC1 ZINC000337172276 529887876 /nfs/dbraw/zinc/88/78/76/529887876.db2.gz FHQABYSAJCEDKM-UHFFFAOYSA-N 2 1 322.497 1.656 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081592128 353683509 /nfs/dbraw/zinc/68/35/09/353683509.db2.gz PFPWKPWYCAAUPC-HOTGVXAUSA-N 2 1 306.454 1.555 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594445719 356219206 /nfs/dbraw/zinc/21/92/06/356219206.db2.gz KOCGTZGJPKYEIP-SJORKVTESA-N 2 1 314.433 1.788 20 30 DDEDMP [NH2+]=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC1CCC1 ZINC000263187306 283260986 /nfs/dbraw/zinc/26/09/86/283260986.db2.gz VBCIXJFTEJOYAA-MRXNPFEDSA-N 2 1 302.422 1.210 20 30 DDEDMP C[NH+]1CCC2(CC[N@H+]([C@H](C(N)=O)c3ccc(C#N)cc3)C2)CC1 ZINC000602878545 359262715 /nfs/dbraw/zinc/26/27/15/359262715.db2.gz YKRJDQCZUPXMTI-INIZCTEOSA-N 2 1 312.417 1.502 20 30 DDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000609257028 360275757 /nfs/dbraw/zinc/27/57/57/360275757.db2.gz LTOCIKNUIRZCDS-QGZVFWFLSA-N 2 1 314.433 1.400 20 30 DDEDMP N#Cc1ccc(N2CCC[C@H]([NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000611515369 360743279 /nfs/dbraw/zinc/74/32/79/360743279.db2.gz RTTLVAWBIMPPME-ZOBUZTSGSA-N 2 1 310.401 1.205 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000272028194 209398719 /nfs/dbraw/zinc/39/87/19/209398719.db2.gz OJISPADRMQMWDC-NVXWUHKLSA-N 2 1 301.434 1.789 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000272028194 209398722 /nfs/dbraw/zinc/39/87/22/209398722.db2.gz OJISPADRMQMWDC-NVXWUHKLSA-N 2 1 301.434 1.789 20 30 DDEDMP C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000341899842 533676634 /nfs/dbraw/zinc/67/66/34/533676634.db2.gz HNIIMBXGXAGSNK-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000341899842 533676640 /nfs/dbraw/zinc/67/66/40/533676640.db2.gz HNIIMBXGXAGSNK-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H]1CCC[N@H+](CC#CC[NH+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000341899842 533676643 /nfs/dbraw/zinc/67/66/43/533676643.db2.gz HNIIMBXGXAGSNK-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc2c1OCO2 ZINC000170908954 407552101 /nfs/dbraw/zinc/55/21/01/407552101.db2.gz GVKHLSLIFILDAB-ZDUSSCGKSA-N 2 1 304.394 1.304 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000172151004 407805994 /nfs/dbraw/zinc/80/59/94/407805994.db2.gz GJDOUEIGXROGNA-OAHLLOKOSA-N 2 1 308.470 1.620 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000172584905 407837603 /nfs/dbraw/zinc/83/76/03/407837603.db2.gz CZLNPBMFYOJVMP-MRXNPFEDSA-N 2 1 308.470 1.618 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)cc(Cl)n1 ZINC000283828360 409224593 /nfs/dbraw/zinc/22/45/93/409224593.db2.gz QXTPVPZPBZCNIX-ZDUSSCGKSA-N 2 1 309.845 1.932 20 30 DDEDMP CCc1ccc([C@@H](O)CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000285184555 409402844 /nfs/dbraw/zinc/40/28/44/409402844.db2.gz UYKQNLLIXVPECF-SJORKVTESA-N 2 1 318.465 1.671 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000290748716 409506700 /nfs/dbraw/zinc/50/67/00/409506700.db2.gz XYORADPIOGRIAD-KRWDZBQOSA-N 2 1 318.465 1.839 20 30 DDEDMP CN(CC(=O)NCc1cccc(C#N)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000355742848 410672054 /nfs/dbraw/zinc/67/20/54/410672054.db2.gz XFGNCZLUJBKYKZ-KRWDZBQOSA-N 2 1 314.433 1.448 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247936491 222232582 /nfs/dbraw/zinc/23/25/82/222232582.db2.gz CNHQJIILXJIPQJ-BBWFWOEESA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247936491 222232584 /nfs/dbraw/zinc/23/25/84/222232584.db2.gz CNHQJIILXJIPQJ-BBWFWOEESA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247936491 222232586 /nfs/dbraw/zinc/23/25/86/222232586.db2.gz CNHQJIILXJIPQJ-BBWFWOEESA-N 2 1 305.466 1.992 20 30 DDEDMP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247936491 222232589 /nfs/dbraw/zinc/23/25/89/222232589.db2.gz CNHQJIILXJIPQJ-BBWFWOEESA-N 2 1 305.466 1.992 20 30 DDEDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000328597726 418606015 /nfs/dbraw/zinc/60/60/15/418606015.db2.gz ALGVVLCQMARGJW-KFWWJZLASA-N 2 1 319.453 1.993 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1noc2c1CCCC2 ZINC000262296228 222275583 /nfs/dbraw/zinc/27/55/83/222275583.db2.gz IVVRKMFSLVDFHX-GFCCVEGCSA-N 2 1 305.426 1.442 20 30 DDEDMP COc1cccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+]2CCCC2)c1 ZINC000262663288 222288728 /nfs/dbraw/zinc/28/87/28/222288728.db2.gz NPJCVLHFWBDRMY-BBRMVZONSA-N 2 1 302.422 1.769 20 30 DDEDMP [NH2+]=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000264123722 222321182 /nfs/dbraw/zinc/32/11/82/222321182.db2.gz VRLRQAAGMKFAHA-UHFFFAOYSA-N 2 1 302.422 1.082 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000369075180 418729170 /nfs/dbraw/zinc/72/91/70/418729170.db2.gz ORYJCLVYAVWOFV-HZPDHXFCSA-N 2 1 306.454 1.563 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000424142959 228235591 /nfs/dbraw/zinc/23/55/91/228235591.db2.gz JCUPNOCUPGNEBC-SJORKVTESA-N 2 1 314.433 1.788 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000660706222 424752628 /nfs/dbraw/zinc/75/26/28/424752628.db2.gz IQKOAYPPYNPMBL-OAHLLOKOSA-N 2 1 308.470 1.809 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367202383 276036545 /nfs/dbraw/zinc/03/65/45/276036545.db2.gz ZFINKBHWAXIZRF-KRWDZBQOSA-N 2 1 320.481 1.849 20 30 DDEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1([NH+]2CCOCC2)CCCC1 ZINC000424142933 289909106 /nfs/dbraw/zinc/90/91/06/289909106.db2.gz IZWHTDYQVIMCEQ-LSDHHAIUSA-N 2 1 322.453 1.157 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC001120624539 782059621 /nfs/dbraw/zinc/05/96/21/782059621.db2.gz RFVSORWZAICOKR-HZPDHXFCSA-N 2 1 308.470 1.491 20 30 DDEDMP C[C@@H](O)[C@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000515526968 484263079 /nfs/dbraw/zinc/26/30/79/484263079.db2.gz XIPRNWWWQJDVHS-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H](O)[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000515526968 484263082 /nfs/dbraw/zinc/26/30/82/484263082.db2.gz XIPRNWWWQJDVHS-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP C[C@@H](O)[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000515526968 484263084 /nfs/dbraw/zinc/26/30/84/484263084.db2.gz XIPRNWWWQJDVHS-FZDBZEDMSA-N 2 1 308.466 1.175 20 30 DDEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)COC ZINC000661244458 484996736 /nfs/dbraw/zinc/99/67/36/484996736.db2.gz SXPCQADWRFBQPA-CQSZACIVSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)COC ZINC000661244458 484996743 /nfs/dbraw/zinc/99/67/43/484996743.db2.gz SXPCQADWRFBQPA-CQSZACIVSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1=O ZINC000337211226 526515473 /nfs/dbraw/zinc/51/54/73/526515473.db2.gz URHZZTSCTUHZFL-IKGGRYGDSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCN1CC[C@H]([NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1=O ZINC000337211226 526515478 /nfs/dbraw/zinc/51/54/78/526515478.db2.gz URHZZTSCTUHZFL-IKGGRYGDSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000491266111 526807232 /nfs/dbraw/zinc/80/72/32/526807232.db2.gz NRFWUXQPLJCVFN-UHFFFAOYSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000491264016 526809710 /nfs/dbraw/zinc/80/97/10/526809710.db2.gz DGKAZKBIKDNTIK-UHFFFAOYSA-N 2 1 306.454 1.211 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000491666378 526819778 /nfs/dbraw/zinc/81/97/78/526819778.db2.gz VYWSDNSDLAPLLX-QGZVFWFLSA-N 2 1 316.449 1.721 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000490630798 526924161 /nfs/dbraw/zinc/92/41/61/526924161.db2.gz SETDQUBYWJBNMP-IYBDPMFKSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000972159165 695166673 /nfs/dbraw/zinc/16/66/73/695166673.db2.gz SLTIPTYMMMOFPH-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000972159165 695166675 /nfs/dbraw/zinc/16/66/75/695166675.db2.gz SLTIPTYMMMOFPH-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000972159165 695166678 /nfs/dbraw/zinc/16/66/78/695166678.db2.gz SLTIPTYMMMOFPH-ZWKOTPCHSA-N 2 1 317.477 1.949 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972639622 695306326 /nfs/dbraw/zinc/30/63/26/695306326.db2.gz VNGPSMJPSDCZMS-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972639622 695306327 /nfs/dbraw/zinc/30/63/27/695306327.db2.gz VNGPSMJPSDCZMS-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972639622 695306328 /nfs/dbraw/zinc/30/63/28/695306328.db2.gz VNGPSMJPSDCZMS-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000972639624 695306669 /nfs/dbraw/zinc/30/66/69/695306669.db2.gz VNGPSMJPSDCZMS-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972639624 695306672 /nfs/dbraw/zinc/30/66/72/695306672.db2.gz VNGPSMJPSDCZMS-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC000972639624 695306673 /nfs/dbraw/zinc/30/66/73/695306673.db2.gz VNGPSMJPSDCZMS-SJLPKXTDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[N@@H+]3CC)[C@@H]2C1 ZINC000979080273 696492922 /nfs/dbraw/zinc/49/29/22/696492922.db2.gz RJJSZFNRHBNALQ-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979080273 696492924 /nfs/dbraw/zinc/49/29/24/696492924.db2.gz RJJSZFNRHBNALQ-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3CC)[C@@H]2C1 ZINC000979080273 696492926 /nfs/dbraw/zinc/49/29/26/696492926.db2.gz RJJSZFNRHBNALQ-WCXIOVBPSA-N 2 1 303.450 1.178 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000104153226 696618679 /nfs/dbraw/zinc/61/86/79/696618679.db2.gz MQWXQRIIDXWPIN-CQSZACIVSA-N 2 1 320.437 1.592 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)(C)C3)C2)C1 ZINC000982009436 697001427 /nfs/dbraw/zinc/00/14/27/697001427.db2.gz RALYOQYKCSXTFU-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009436 697001429 /nfs/dbraw/zinc/00/14/29/697001429.db2.gz RALYOQYKCSXTFU-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1 ZINC000982009436 697001430 /nfs/dbraw/zinc/00/14/30/697001430.db2.gz RALYOQYKCSXTFU-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000982116343 697034281 /nfs/dbraw/zinc/03/42/81/697034281.db2.gz LQRVNUPAVUXPBY-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000982116343 697034283 /nfs/dbraw/zinc/03/42/83/697034283.db2.gz LQRVNUPAVUXPBY-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000982116343 697034285 /nfs/dbraw/zinc/03/42/85/697034285.db2.gz LQRVNUPAVUXPBY-INIZCTEOSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC000982163684 697046604 /nfs/dbraw/zinc/04/66/04/697046604.db2.gz OEPVJMKOZHJSGM-KRWDZBQOSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC000982301095 697087978 /nfs/dbraw/zinc/08/79/78/697087978.db2.gz GOMGFPBLPSRXAC-RYQLBKOJSA-N 2 1 305.466 1.376 20 30 DDEDMP C[NH+]=C(NCc1ccco1)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000171408552 697357817 /nfs/dbraw/zinc/35/78/17/697357817.db2.gz XVFMHPZEIYKMQR-HNNXBMFYSA-N 2 1 308.426 1.301 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCc2ccccc21 ZINC000174058293 697383502 /nfs/dbraw/zinc/38/35/02/697383502.db2.gz INEIGIQJMAHOEL-INIZCTEOSA-N 2 1 316.449 1.343 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000985603419 697541421 /nfs/dbraw/zinc/54/14/21/697541421.db2.gz YNMCFIOKGLWRTN-INIZCTEOSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000985603419 697541423 /nfs/dbraw/zinc/54/14/23/697541423.db2.gz YNMCFIOKGLWRTN-INIZCTEOSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985603419 697541424 /nfs/dbraw/zinc/54/14/24/697541424.db2.gz YNMCFIOKGLWRTN-INIZCTEOSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985603419 697541426 /nfs/dbraw/zinc/54/14/26/697541426.db2.gz YNMCFIOKGLWRTN-INIZCTEOSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000985606003 697542117 /nfs/dbraw/zinc/54/21/17/697542117.db2.gz CINFTRGBVPAITJ-UHFFFAOYSA-N 2 1 303.406 1.511 20 30 DDEDMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC[C@@H]1CCCO1 ZINC000195165217 697732908 /nfs/dbraw/zinc/73/29/08/697732908.db2.gz DRFJHOOFSFVGDT-SJORKVTESA-N 2 1 316.449 1.592 20 30 DDEDMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)[NH+]2CCCC2)o1 ZINC000262465863 698471082 /nfs/dbraw/zinc/47/10/82/698471082.db2.gz NOXLJNSYRBAYDE-LSDHHAIUSA-N 2 1 320.437 1.760 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000303872141 698608595 /nfs/dbraw/zinc/60/85/95/698608595.db2.gz BUBPERIVVPVADY-OWCLPIDISA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303872141 698608597 /nfs/dbraw/zinc/60/85/97/698608597.db2.gz BUBPERIVVPVADY-OWCLPIDISA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000303872141 698608598 /nfs/dbraw/zinc/60/85/98/698608598.db2.gz BUBPERIVVPVADY-OWCLPIDISA-N 3 1 309.502 1.495 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000304754655 698624449 /nfs/dbraw/zinc/62/44/49/698624449.db2.gz MAIJGGBIMBEBSQ-LBPRGKRZSA-N 2 1 306.410 1.772 20 30 DDEDMP CCc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000304755793 698624394 /nfs/dbraw/zinc/62/43/94/698624394.db2.gz NBPOCMAIUYNGAW-AWEZNQCLSA-N 2 1 304.438 1.944 20 30 DDEDMP C[NH+]=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC1CC1 ZINC000305798323 698656174 /nfs/dbraw/zinc/65/61/74/698656174.db2.gz BSAGDQUFEDVZEU-INIZCTEOSA-N 2 1 302.422 1.081 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000328071443 698746035 /nfs/dbraw/zinc/74/60/35/698746035.db2.gz DQIFQCDKVJRFOH-UHFFFAOYSA-N 2 1 301.434 1.568 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000328071443 698746039 /nfs/dbraw/zinc/74/60/39/698746039.db2.gz DQIFQCDKVJRFOH-UHFFFAOYSA-N 2 1 301.434 1.568 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC000990691247 699133731 /nfs/dbraw/zinc/13/37/31/699133731.db2.gz UQZLOUVEJFEIHH-YQVWRLOYSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C ZINC000732306185 699554770 /nfs/dbraw/zinc/55/47/70/699554770.db2.gz KNPPNDFYPBGMTF-ROUUACIJSA-N 2 1 317.477 1.899 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+](CC=C)CC=C ZINC000732306185 699554772 /nfs/dbraw/zinc/55/47/72/699554772.db2.gz KNPPNDFYPBGMTF-ROUUACIJSA-N 2 1 317.477 1.899 20 30 DDEDMP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccc(N)cc1C ZINC000758110413 700684270 /nfs/dbraw/zinc/68/42/70/700684270.db2.gz NZJWJMFUBMTOAY-UHFFFAOYSA-N 2 1 307.467 1.717 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000764660322 700981217 /nfs/dbraw/zinc/98/12/17/700981217.db2.gz RKGKKPCKOOHMDN-RHSMWYFYSA-N 2 1 301.434 1.741 20 30 DDEDMP C#CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C1CCCC1 ZINC000820081408 704218095 /nfs/dbraw/zinc/21/80/95/704218095.db2.gz ZWPZTQXOBAVROQ-INIZCTEOSA-N 2 1 322.497 1.846 20 30 DDEDMP C#CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C1CCCC1 ZINC000820081408 704218098 /nfs/dbraw/zinc/21/80/98/704218098.db2.gz ZWPZTQXOBAVROQ-INIZCTEOSA-N 2 1 322.497 1.846 20 30 DDEDMP C#CCNC(=O)CC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859996384 705066210 /nfs/dbraw/zinc/06/62/10/705066210.db2.gz BAVUNOZTXKMNPE-UHFFFAOYSA-N 2 1 301.434 1.710 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000876729788 705843863 /nfs/dbraw/zinc/84/38/63/705843863.db2.gz XFKLRARDZVTRAP-SQNIBIBYSA-N 2 1 324.428 1.488 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876729788 705843867 /nfs/dbraw/zinc/84/38/67/705843867.db2.gz XFKLRARDZVTRAP-SQNIBIBYSA-N 2 1 324.428 1.488 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000876729786 705844041 /nfs/dbraw/zinc/84/40/41/705844041.db2.gz XFKLRARDZVTRAP-KSZLIROESA-N 2 1 324.428 1.488 20 30 DDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876729786 705844042 /nfs/dbraw/zinc/84/40/42/705844042.db2.gz XFKLRARDZVTRAP-KSZLIROESA-N 2 1 324.428 1.488 20 30 DDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]Cc3ccccc31)C2 ZINC000884026281 708107389 /nfs/dbraw/zinc/10/73/89/708107389.db2.gz YWLAQAFMLDLBHS-SWKXRBFHSA-N 2 1 310.401 1.262 20 30 DDEDMP Cc1[nH+]ccn1CCCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884322784 708244034 /nfs/dbraw/zinc/24/40/34/708244034.db2.gz VKCDQBVPTKJZFU-CKDBGZEDSA-N 2 1 315.421 1.179 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@@H+](C)CCCC)C1 ZINC000884358077 708261490 /nfs/dbraw/zinc/26/14/90/708261490.db2.gz LBUADUDESMWFCA-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H](C)C[N@H+](C)CCCC)C1 ZINC000884358077 708261493 /nfs/dbraw/zinc/26/14/93/708261493.db2.gz LBUADUDESMWFCA-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+](C)CCCC)C1 ZINC000884358077 708261496 /nfs/dbraw/zinc/26/14/96/708261496.db2.gz LBUADUDESMWFCA-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)C[NH+](C)CCCC)C1 ZINC000884358077 708261501 /nfs/dbraw/zinc/26/15/01/708261501.db2.gz LBUADUDESMWFCA-CVEARBPZSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000886364013 708749804 /nfs/dbraw/zinc/74/98/04/708749804.db2.gz MDORCLCYCVBYNO-AEFFLSMTSA-N 2 1 313.445 1.751 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC[NH+](C)CC1 ZINC000886573745 708779168 /nfs/dbraw/zinc/77/91/68/708779168.db2.gz VIVVYBANDNUOKQ-NVXWUHKLSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC[NH+](C)CC1 ZINC000886573744 708779257 /nfs/dbraw/zinc/77/92/57/708779257.db2.gz VIVVYBANDNUOKQ-DOTOQJQBSA-N 2 1 303.450 1.559 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000900335246 709543930 /nfs/dbraw/zinc/54/39/30/709543930.db2.gz UZYIEQHATNXIHT-UHFFFAOYSA-N 2 1 307.463 1.730 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000900335246 709543934 /nfs/dbraw/zinc/54/39/34/709543934.db2.gz UZYIEQHATNXIHT-UHFFFAOYSA-N 2 1 307.463 1.730 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCC)CCC[NH+](C)C)C1 ZINC000890366777 709839205 /nfs/dbraw/zinc/83/92/05/709839205.db2.gz DKYVUJFHOZPFIM-MRXNPFEDSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCC)CCC[NH+](C)C)C1 ZINC000890366777 709839208 /nfs/dbraw/zinc/83/92/08/709839208.db2.gz DKYVUJFHOZPFIM-MRXNPFEDSA-N 2 1 308.470 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC)CCC[NH+](CC)CC)C1 ZINC000890367738 709840885 /nfs/dbraw/zinc/84/08/85/709840885.db2.gz SQPIWHWMKFVBAK-KRWDZBQOSA-N 2 1 322.497 1.847 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC)CCC[NH+](CC)CC)C1 ZINC000890367738 709840887 /nfs/dbraw/zinc/84/08/87/709840887.db2.gz SQPIWHWMKFVBAK-KRWDZBQOSA-N 2 1 322.497 1.847 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894228635 711024959 /nfs/dbraw/zinc/02/49/59/711024959.db2.gz GZYONDKCANWEAQ-QWHCGFSZSA-N 2 1 302.365 1.671 20 30 DDEDMP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000903423388 711121569 /nfs/dbraw/zinc/12/15/69/711121569.db2.gz ULHKNALLALKTCZ-CQSZACIVSA-N 2 1 320.824 1.499 20 30 DDEDMP CCC[NH+]=C(NC[C@@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912509431 711357963 /nfs/dbraw/zinc/35/79/63/711357963.db2.gz FNIRXRCAOKZNKW-OAHLLOKOSA-N 2 1 311.518 1.614 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)CC[N@H+]1C ZINC000895599405 711554360 /nfs/dbraw/zinc/55/43/60/711554360.db2.gz ZLIMTTTVQPSRBL-SMDDNHRTSA-N 2 1 318.425 1.102 20 30 DDEDMP C#CCN(C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000921436431 713770748 /nfs/dbraw/zinc/77/07/48/713770748.db2.gz VHBYWHJNRNAVKY-YOEHRIQHSA-N 2 1 318.465 1.208 20 30 DDEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]CC2([NH3+])CCC2)c(OC)c1 ZINC000923330927 714317796 /nfs/dbraw/zinc/31/77/96/714317796.db2.gz DGXCRWKGCJPTHA-OAHLLOKOSA-N 2 1 320.433 1.634 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000923373955 714332482 /nfs/dbraw/zinc/33/24/82/714332482.db2.gz QSUYEYFMINJNOC-WMZOPIPTSA-N 2 1 317.433 1.795 20 30 DDEDMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)C[C@]2(C)C1 ZINC000933733903 714658120 /nfs/dbraw/zinc/65/81/20/714658120.db2.gz KDZAAPMLZULRFN-RYRKJORJSA-N 2 1 315.417 1.181 20 30 DDEDMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)COc3ccccc3C#N)C[C@]2(C)C1 ZINC000933733903 714658122 /nfs/dbraw/zinc/65/81/22/714658122.db2.gz KDZAAPMLZULRFN-RYRKJORJSA-N 2 1 315.417 1.181 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3C#N)C[C@]2(C)C1 ZINC000933733903 714658124 /nfs/dbraw/zinc/65/81/24/714658124.db2.gz KDZAAPMLZULRFN-RYRKJORJSA-N 2 1 315.417 1.181 20 30 DDEDMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3C#N)C[C@]2(C)C1 ZINC000933733903 714658126 /nfs/dbraw/zinc/65/81/26/714658126.db2.gz KDZAAPMLZULRFN-RYRKJORJSA-N 2 1 315.417 1.181 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941163520 717119240 /nfs/dbraw/zinc/11/92/40/717119240.db2.gz MDAHAXWAUQNMIR-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941163520 717119241 /nfs/dbraw/zinc/11/92/41/717119241.db2.gz MDAHAXWAUQNMIR-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941163520 717119244 /nfs/dbraw/zinc/11/92/44/717119244.db2.gz MDAHAXWAUQNMIR-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C(C)(C)C1 ZINC000941187085 717125732 /nfs/dbraw/zinc/12/57/32/717125732.db2.gz VJPFXNMCAPSUHX-HNNXBMFYSA-N 2 1 302.422 1.501 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000941231571 717134932 /nfs/dbraw/zinc/13/49/32/717134932.db2.gz UFPKLICDBGXUEO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000941231571 717134935 /nfs/dbraw/zinc/13/49/35/717134935.db2.gz UFPKLICDBGXUEO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000941231571 717134937 /nfs/dbraw/zinc/13/49/37/717134937.db2.gz UFPKLICDBGXUEO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000941231571 717134941 /nfs/dbraw/zinc/13/49/41/717134941.db2.gz UFPKLICDBGXUEO-CABCVRRESA-N 2 1 309.454 1.110 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC000962551590 717506697 /nfs/dbraw/zinc/50/66/97/717506697.db2.gz HVDHMLHRPQIMDI-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC000962551590 717506702 /nfs/dbraw/zinc/50/67/02/717506702.db2.gz HVDHMLHRPQIMDI-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC000962551590 717506707 /nfs/dbraw/zinc/50/67/07/717506707.db2.gz HVDHMLHRPQIMDI-WNRNVDISSA-N 2 1 324.428 1.056 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H](C)C1 ZINC000945178772 718415186 /nfs/dbraw/zinc/41/51/86/718415186.db2.gz HBPYWKNKADMDNN-SJLPKXTDSA-N 2 1 315.461 1.182 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC[C@@H]2C1 ZINC000946902707 718939860 /nfs/dbraw/zinc/93/98/60/718939860.db2.gz WIFXYWYUZZRFER-TVFCKZIOSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473383 719176946 /nfs/dbraw/zinc/17/69/46/719176946.db2.gz LHJBJFJTUNZZIX-UONOGXRCSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC000947473383 719176949 /nfs/dbraw/zinc/17/69/49/719176949.db2.gz LHJBJFJTUNZZIX-UONOGXRCSA-N 2 1 318.421 1.342 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000947801891 719274036 /nfs/dbraw/zinc/27/40/36/719274036.db2.gz QHPFXGZRTWWPBD-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC000947908158 719304879 /nfs/dbraw/zinc/30/48/79/719304879.db2.gz PFZILJPFLXQYSU-CRAIPNDOSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517639 719637644 /nfs/dbraw/zinc/63/76/44/719637644.db2.gz QBDYJXCUFFXABQ-MAUKXSAKSA-N 2 1 317.477 1.568 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000968517639 719637647 /nfs/dbraw/zinc/63/76/47/719637647.db2.gz QBDYJXCUFFXABQ-MAUKXSAKSA-N 2 1 317.477 1.568 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000949473192 720112009 /nfs/dbraw/zinc/11/20/09/720112009.db2.gz WAVSXMDYEMTQRD-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCOC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000949473192 720112011 /nfs/dbraw/zinc/11/20/11/720112011.db2.gz WAVSXMDYEMTQRD-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000949473192 720112014 /nfs/dbraw/zinc/11/20/14/720112014.db2.gz WAVSXMDYEMTQRD-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC000949473192 720112016 /nfs/dbraw/zinc/11/20/16/720112016.db2.gz WAVSXMDYEMTQRD-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]2C1 ZINC001083195737 732708026 /nfs/dbraw/zinc/70/80/26/732708026.db2.gz LPNJUXVNVIKGFB-HRCADAONSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173012 733082462 /nfs/dbraw/zinc/08/24/62/733082462.db2.gz LALFKAWDDGWKJZ-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173012 733082464 /nfs/dbraw/zinc/08/24/64/733082464.db2.gz LALFKAWDDGWKJZ-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173012 733082466 /nfs/dbraw/zinc/08/24/66/733082466.db2.gz LALFKAWDDGWKJZ-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104371873 734408427 /nfs/dbraw/zinc/40/84/27/734408427.db2.gz KOHNHOMJCLCRKV-ZIAGYGMSSA-N 2 1 320.437 1.610 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001027924194 738814966 /nfs/dbraw/zinc/81/49/66/738814966.db2.gz DUDYMWWQTOEKQO-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001027924194 738814972 /nfs/dbraw/zinc/81/49/72/738814972.db2.gz DUDYMWWQTOEKQO-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP CC#CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001027924194 738814978 /nfs/dbraw/zinc/81/49/78/738814978.db2.gz DUDYMWWQTOEKQO-SJORKVTESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001027930887 738827512 /nfs/dbraw/zinc/82/75/12/738827512.db2.gz WCPPSZSACMPNGS-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001027930887 738827514 /nfs/dbraw/zinc/82/75/14/738827514.db2.gz WCPPSZSACMPNGS-ZWKOTPCHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001167549986 734697797 /nfs/dbraw/zinc/69/77/97/734697797.db2.gz QBMVUBGLJNCRNR-UHFFFAOYSA-N 2 1 323.400 1.390 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551542 735163831 /nfs/dbraw/zinc/16/38/31/735163831.db2.gz CBMOMTXRXDMMKV-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000972551542 735163832 /nfs/dbraw/zinc/16/38/32/735163832.db2.gz CBMOMTXRXDMMKV-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551542 735163834 /nfs/dbraw/zinc/16/38/34/735163834.db2.gz CBMOMTXRXDMMKV-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000972551542 735163835 /nfs/dbraw/zinc/16/38/35/735163835.db2.gz CBMOMTXRXDMMKV-AEFFLSMTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1 ZINC001023421488 735225293 /nfs/dbraw/zinc/22/52/93/735225293.db2.gz ABSASVRWSBJYGQ-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001023421488 735225296 /nfs/dbraw/zinc/22/52/96/735225296.db2.gz ABSASVRWSBJYGQ-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001023421488 735225297 /nfs/dbraw/zinc/22/52/97/735225297.db2.gz ABSASVRWSBJYGQ-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001023421488 735225300 /nfs/dbraw/zinc/22/53/00/735225300.db2.gz ABSASVRWSBJYGQ-MSOLQXFVSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001023469735 735256665 /nfs/dbraw/zinc/25/66/65/735256665.db2.gz MDEIMGAOEUFRDJ-HNNXBMFYSA-N 2 1 310.401 1.799 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001007490759 736361597 /nfs/dbraw/zinc/36/15/97/736361597.db2.gz FJOVLNSFYRTPNF-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001007490759 736361606 /nfs/dbraw/zinc/36/16/06/736361606.db2.gz FJOVLNSFYRTPNF-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001025289961 736410193 /nfs/dbraw/zinc/41/01/93/736410193.db2.gz VXJXINMRVWNKTI-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025586384 736770691 /nfs/dbraw/zinc/77/06/91/736770691.db2.gz YERRYLHTBJMMCV-FUHWJXTLSA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001020236269 737005462 /nfs/dbraw/zinc/00/54/62/737005462.db2.gz XRRPKUSNQILICU-BFYDXBDKSA-N 2 1 321.465 1.443 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001026140201 737140059 /nfs/dbraw/zinc/14/00/59/737140059.db2.gz WSBGAQPINMTFKD-SMLCLMEVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001026148664 737146887 /nfs/dbraw/zinc/14/68/87/737146887.db2.gz ZVEIJHJSKBZNLA-JLOCXQCDSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104795871 737214961 /nfs/dbraw/zinc/21/49/61/737214961.db2.gz YOAHWUZCOISWMN-IAGOWNOFSA-N 2 1 323.481 1.359 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@@H]12 ZINC001026376166 737444589 /nfs/dbraw/zinc/44/45/89/737444589.db2.gz GSBMGUDLOIDUEP-BRWVUGGUSA-N 2 1 321.465 1.111 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001203417417 738018797 /nfs/dbraw/zinc/01/87/97/738018797.db2.gz ACNZZNCXOXMINO-CVEARBPZSA-N 2 1 317.477 1.759 20 30 DDEDMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001027459658 738313893 /nfs/dbraw/zinc/31/38/93/738313893.db2.gz FUUYUAJTXQCRJI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099990 739035192 /nfs/dbraw/zinc/03/51/92/739035192.db2.gz DLAQYJBYPVGDPM-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028099990 739035195 /nfs/dbraw/zinc/03/51/95/739035195.db2.gz DLAQYJBYPVGDPM-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103489 739039639 /nfs/dbraw/zinc/03/96/39/739039639.db2.gz PLLZVHWRAOUBQN-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001028103489 739039643 /nfs/dbraw/zinc/03/96/43/739039643.db2.gz PLLZVHWRAOUBQN-HZPDHXFCSA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000997949834 751414650 /nfs/dbraw/zinc/41/46/50/751414650.db2.gz PGYURLYRCTZBMR-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997949834 751414655 /nfs/dbraw/zinc/41/46/55/751414655.db2.gz PGYURLYRCTZBMR-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997949834 751414658 /nfs/dbraw/zinc/41/46/58/751414658.db2.gz PGYURLYRCTZBMR-SJORKVTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001028603688 739781573 /nfs/dbraw/zinc/78/15/73/739781573.db2.gz HFFQRKFQGQMDON-PWZNUNQRSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001028603688 739781577 /nfs/dbraw/zinc/78/15/77/739781577.db2.gz HFFQRKFQGQMDON-PWZNUNQRSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001028603688 739781582 /nfs/dbraw/zinc/78/15/82/739781582.db2.gz HFFQRKFQGQMDON-PWZNUNQRSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C/C=C/Cl)C1 ZINC001028603688 739781586 /nfs/dbraw/zinc/78/15/86/739781586.db2.gz HFFQRKFQGQMDON-PWZNUNQRSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001029004419 740249684 /nfs/dbraw/zinc/24/96/84/740249684.db2.gz WQBYGXOVYQHNKZ-IAGOWNOFSA-N 2 1 319.493 1.816 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001075813365 740656634 /nfs/dbraw/zinc/65/66/34/740656634.db2.gz ANGBCPMIAXGQCR-MWDXBVQZSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728138 740723786 /nfs/dbraw/zinc/72/37/86/740723786.db2.gz FVJNMWAFXLWRBI-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728138 740723791 /nfs/dbraw/zinc/72/37/91/740723791.db2.gz FVJNMWAFXLWRBI-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)[C@H]1CC ZINC001087728138 740723795 /nfs/dbraw/zinc/72/37/95/740723795.db2.gz FVJNMWAFXLWRBI-JKSUJKDBSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799489 740755388 /nfs/dbraw/zinc/75/53/88/740755388.db2.gz XRTHXZUKXWFRTH-UONOGXRCSA-N 2 1 311.857 1.804 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1CC ZINC001087799489 740755392 /nfs/dbraw/zinc/75/53/92/740755392.db2.gz XRTHXZUKXWFRTH-UONOGXRCSA-N 2 1 311.857 1.804 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087994188 740936634 /nfs/dbraw/zinc/93/66/34/740936634.db2.gz VPLVIPZSIYTHDR-PMPSAXMXSA-N 2 1 312.417 1.174 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]2C1 ZINC001087994188 740936637 /nfs/dbraw/zinc/93/66/37/740936637.db2.gz VPLVIPZSIYTHDR-PMPSAXMXSA-N 2 1 312.417 1.174 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088002441 740941112 /nfs/dbraw/zinc/94/11/12/740941112.db2.gz FLZLUFSDJRANSE-IKGGRYGDSA-N 2 1 305.466 1.376 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@@H]2C1 ZINC001088183725 741097774 /nfs/dbraw/zinc/09/77/74/741097774.db2.gz SUHBCCWGUGBBGU-CABCVRRESA-N 2 1 300.406 1.064 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101440921 741465371 /nfs/dbraw/zinc/46/53/71/741465371.db2.gz BJQQSQGIHJYJCI-AEFFLSMTSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101440921 741465373 /nfs/dbraw/zinc/46/53/73/741465373.db2.gz BJQQSQGIHJYJCI-AEFFLSMTSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101440921 741465375 /nfs/dbraw/zinc/46/53/75/741465375.db2.gz BJQQSQGIHJYJCI-AEFFLSMTSA-N 2 1 305.466 1.522 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241143 741839176 /nfs/dbraw/zinc/83/91/76/741839176.db2.gz SZMAYOLXHBGSSH-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241143 741839178 /nfs/dbraw/zinc/83/91/78/741839178.db2.gz SZMAYOLXHBGSSH-OAHLLOKOSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001075975147 742300205 /nfs/dbraw/zinc/30/02/05/742300205.db2.gz PNXIPYPZYCRUIE-WMLDXEAASA-N 2 1 308.385 1.422 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001184331268 744023896 /nfs/dbraw/zinc/02/38/96/744023896.db2.gz OLLPUTYPWFCGHV-CQSZACIVSA-N 2 1 302.422 1.529 20 30 DDEDMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@H]1C)CC2 ZINC001035796439 751885197 /nfs/dbraw/zinc/88/51/97/751885197.db2.gz DBPVWJUPAZAHKI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001185304006 744201291 /nfs/dbraw/zinc/20/12/91/744201291.db2.gz AJEVLADQGKUMSR-DLBZAZTESA-N 2 1 323.481 1.359 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188112912 744662334 /nfs/dbraw/zinc/66/23/34/744662334.db2.gz QROQMFIWYVBMKI-ARFHVFGLSA-N 2 1 311.445 1.775 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992187419 744672879 /nfs/dbraw/zinc/67/28/79/744672879.db2.gz JDQBPXLLMSMGJP-SOLBZPMBSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CCC[C@H]3C)CCC[C@H]12 ZINC000992187419 744672880 /nfs/dbraw/zinc/67/28/80/744672880.db2.gz JDQBPXLLMSMGJP-SOLBZPMBSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992486831 744912358 /nfs/dbraw/zinc/91/23/58/744912358.db2.gz LGNYHHMXMJTHAK-RDJZCZTQSA-N 2 1 302.422 1.881 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C)CCC[C@H]12 ZINC000992486831 744912361 /nfs/dbraw/zinc/91/23/61/744912361.db2.gz LGNYHHMXMJTHAK-RDJZCZTQSA-N 2 1 302.422 1.881 20 30 DDEDMP C=CC[NH+]1CC2(C1)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001035859550 751957098 /nfs/dbraw/zinc/95/70/98/751957098.db2.gz URPUYGJQVBBZAV-IYBDPMFKSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190247999 745160671 /nfs/dbraw/zinc/16/06/71/745160671.db2.gz VXLIRUPSDJQKPF-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001190247999 745160672 /nfs/dbraw/zinc/16/06/72/745160672.db2.gz VXLIRUPSDJQKPF-HZPDHXFCSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480686 745221226 /nfs/dbraw/zinc/22/12/26/745221226.db2.gz GSTJKBFCICVGRN-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607034 745782604 /nfs/dbraw/zinc/78/26/04/745782604.db2.gz HDSBLBWQWDHMQB-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607034 745782608 /nfs/dbraw/zinc/78/26/08/745782608.db2.gz HDSBLBWQWDHMQB-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607034 745782615 /nfs/dbraw/zinc/78/26/15/745782615.db2.gz HDSBLBWQWDHMQB-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607034 745782619 /nfs/dbraw/zinc/78/26/19/745782619.db2.gz HDSBLBWQWDHMQB-JKSUJKDBSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577475 745807335 /nfs/dbraw/zinc/80/73/35/745807335.db2.gz JZAANYMXHWBNBW-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577475 745807338 /nfs/dbraw/zinc/80/73/38/745807338.db2.gz JZAANYMXHWBNBW-BRWVUGGUSA-N 2 1 323.481 1.356 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993531679 746200514 /nfs/dbraw/zinc/20/05/14/746200514.db2.gz UMTBGBUHGQLTDI-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC000993531679 746200518 /nfs/dbraw/zinc/20/05/18/746200518.db2.gz UMTBGBUHGQLTDI-HZPDHXFCSA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993535290 746201405 /nfs/dbraw/zinc/20/14/05/746201405.db2.gz IUILWGOIHWEQNN-RHSMWYFYSA-N 2 1 310.401 1.940 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194274780 746314397 /nfs/dbraw/zinc/31/43/97/746314397.db2.gz LJQXNPNDQMIJSX-IAGOWNOFSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC001195908136 746734371 /nfs/dbraw/zinc/73/43/71/746734371.db2.gz VDQLWPGTGCXZMB-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001195908136 746734377 /nfs/dbraw/zinc/73/43/77/746734377.db2.gz VDQLWPGTGCXZMB-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCCC[NH+]1CCCN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC001195908136 746734382 /nfs/dbraw/zinc/73/43/82/746734382.db2.gz VDQLWPGTGCXZMB-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001197017413 747029657 /nfs/dbraw/zinc/02/96/57/747029657.db2.gz GHKOSSZLNCWURY-BZUAXINKSA-N 2 1 311.470 1.090 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089484618 747062199 /nfs/dbraw/zinc/06/21/99/747062199.db2.gz YQANXZZROOGTMC-MRXNPFEDSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197156680 747088756 /nfs/dbraw/zinc/08/87/56/747088756.db2.gz WUIYAXXXRUIPMF-GVDBMIGSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197156680 747088761 /nfs/dbraw/zinc/08/87/61/747088761.db2.gz WUIYAXXXRUIPMF-GVDBMIGSSA-N 2 1 323.481 1.234 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333493 747132656 /nfs/dbraw/zinc/13/26/56/747132656.db2.gz RIGYWZSKTJOAOD-HQVVEAJESA-N 2 1 319.449 1.006 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001003630868 747338169 /nfs/dbraw/zinc/33/81/69/747338169.db2.gz ORKZRDJUIXSOFP-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198135900 747377183 /nfs/dbraw/zinc/37/71/83/747377183.db2.gz CDHOXWTZMCOYET-UHFFFAOYSA-N 2 1 305.466 1.810 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001198221988 747411277 /nfs/dbraw/zinc/41/12/77/747411277.db2.gz SAQRRCVGIAVXDU-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001089624504 747491471 /nfs/dbraw/zinc/49/14/71/747491471.db2.gz FIHGTAKOAHZYCD-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089624504 747491474 /nfs/dbraw/zinc/49/14/74/747491474.db2.gz FIHGTAKOAHZYCD-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089624504 747491480 /nfs/dbraw/zinc/49/14/80/747491480.db2.gz FIHGTAKOAHZYCD-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001089624504 747491488 /nfs/dbraw/zinc/49/14/88/747491488.db2.gz FIHGTAKOAHZYCD-LSDHHAIUSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001198729319 747581780 /nfs/dbraw/zinc/58/17/80/747581780.db2.gz ICBJQORNGFMOBX-IAGOWNOFSA-N 2 1 323.481 1.380 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001031742990 747637228 /nfs/dbraw/zinc/63/72/28/747637228.db2.gz ZXSFIPPYOGOACK-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001031742990 747637235 /nfs/dbraw/zinc/63/72/35/747637235.db2.gz ZXSFIPPYOGOACK-SFHVURJKSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1OC ZINC001198885096 747646024 /nfs/dbraw/zinc/64/60/24/747646024.db2.gz AOJVEBANZHIBPJ-INIZCTEOSA-N 2 1 317.433 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CC[NH+](C)CC2)C1 ZINC001089849382 748063401 /nfs/dbraw/zinc/06/34/01/748063401.db2.gz CUEPMUVDZMEKGO-XSLAGTTESA-N 2 1 315.461 1.130 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001200577648 748283467 /nfs/dbraw/zinc/28/34/67/748283467.db2.gz CJUUGJRNYUWSPI-NVXWUHKLSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634921 748298086 /nfs/dbraw/zinc/29/80/86/748298086.db2.gz NTXDXTFFBHRNQE-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200720985 748327894 /nfs/dbraw/zinc/32/78/94/748327894.db2.gz FSDRIFRXJVQOMF-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001004457802 748449144 /nfs/dbraw/zinc/44/91/44/748449144.db2.gz LTOULBWSUFCJGW-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004457802 748449150 /nfs/dbraw/zinc/44/91/50/748449150.db2.gz LTOULBWSUFCJGW-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004457802 748449154 /nfs/dbraw/zinc/44/91/54/748449154.db2.gz LTOULBWSUFCJGW-SFHVURJKSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CCCO1 ZINC001201405053 748499929 /nfs/dbraw/zinc/49/99/29/748499929.db2.gz ZSPKVJBZFBDWPE-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001036240303 752287933 /nfs/dbraw/zinc/28/79/33/752287933.db2.gz NSSCBIKFCIGRGW-PBHICJAKSA-N 2 1 323.400 1.341 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033161532 748686620 /nfs/dbraw/zinc/68/66/20/748686620.db2.gz MWSJPFIXIOMQGI-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001033161532 748686626 /nfs/dbraw/zinc/68/66/26/748686626.db2.gz MWSJPFIXIOMQGI-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033161532 748686631 /nfs/dbraw/zinc/68/66/31/748686631.db2.gz MWSJPFIXIOMQGI-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001033161532 748686636 /nfs/dbraw/zinc/68/66/36/748686636.db2.gz MWSJPFIXIOMQGI-MSOLQXFVSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033197658 748852087 /nfs/dbraw/zinc/85/20/87/748852087.db2.gz RDNOSEYZQYNWJZ-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033197658 748852091 /nfs/dbraw/zinc/85/20/91/748852091.db2.gz RDNOSEYZQYNWJZ-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033197658 748852093 /nfs/dbraw/zinc/85/20/93/748852093.db2.gz RDNOSEYZQYNWJZ-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033197658 748852097 /nfs/dbraw/zinc/85/20/97/748852097.db2.gz RDNOSEYZQYNWJZ-OWCLPIDISA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033213322 748950468 /nfs/dbraw/zinc/95/04/68/748950468.db2.gz ZRUOGQDUAXEXSY-CABCVRRESA-N 2 1 316.449 1.932 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033213322 748950473 /nfs/dbraw/zinc/95/04/73/748950473.db2.gz ZRUOGQDUAXEXSY-CABCVRRESA-N 2 1 316.449 1.932 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001202503822 749009513 /nfs/dbraw/zinc/00/95/13/749009513.db2.gz NZTOXDLCNQXSJX-HNNXBMFYSA-N 2 1 314.433 1.358 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366891 749256550 /nfs/dbraw/zinc/25/65/50/749256550.db2.gz WYGGSMFABRMORM-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001033366891 749256556 /nfs/dbraw/zinc/25/65/56/749256556.db2.gz WYGGSMFABRMORM-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033415829 749313569 /nfs/dbraw/zinc/31/35/69/749313569.db2.gz LLTPWXREVSVWSR-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001033415829 749313571 /nfs/dbraw/zinc/31/35/71/749313571.db2.gz LLTPWXREVSVWSR-HOTGVXAUSA-N 2 1 316.449 1.863 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033853809 749989825 /nfs/dbraw/zinc/98/98/25/749989825.db2.gz DCVUHXFYIUTGEV-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033853809 749989830 /nfs/dbraw/zinc/98/98/30/749989830.db2.gz DCVUHXFYIUTGEV-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033853809 749989836 /nfs/dbraw/zinc/98/98/36/749989836.db2.gz DCVUHXFYIUTGEV-QZTJIDSGSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033869486 750027951 /nfs/dbraw/zinc/02/79/51/750027951.db2.gz RMFYNGQEJMQLFE-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001033869486 750027958 /nfs/dbraw/zinc/02/79/58/750027958.db2.gz RMFYNGQEJMQLFE-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001033869486 750027963 /nfs/dbraw/zinc/02/79/63/750027963.db2.gz RMFYNGQEJMQLFE-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001033869486 750027970 /nfs/dbraw/zinc/02/79/70/750027970.db2.gz RMFYNGQEJMQLFE-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107942488 750752357 /nfs/dbraw/zinc/75/23/57/750752357.db2.gz UBGNQKPBAROKCQ-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942488 750752360 /nfs/dbraw/zinc/75/23/60/750752360.db2.gz UBGNQKPBAROKCQ-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942488 750752366 /nfs/dbraw/zinc/75/23/66/750752366.db2.gz UBGNQKPBAROKCQ-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942488 750752371 /nfs/dbraw/zinc/75/23/71/750752371.db2.gz UBGNQKPBAROKCQ-AEFFLSMTSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032453543 750873219 /nfs/dbraw/zinc/87/32/19/750873219.db2.gz FCENYRAOUHZLSE-ULQDDVLXSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001032453543 750873227 /nfs/dbraw/zinc/87/32/27/750873227.db2.gz FCENYRAOUHZLSE-ULQDDVLXSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C ZINC001032453543 750873234 /nfs/dbraw/zinc/87/32/34/750873234.db2.gz FCENYRAOUHZLSE-ULQDDVLXSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C ZINC001032453543 750873239 /nfs/dbraw/zinc/87/32/39/750873239.db2.gz FCENYRAOUHZLSE-ULQDDVLXSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC001000682087 762085210 /nfs/dbraw/zinc/08/52/10/762085210.db2.gz HPRFUKPDERHNEN-ROUUACIJSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000682087 762085219 /nfs/dbraw/zinc/08/52/19/762085219.db2.gz HPRFUKPDERHNEN-ROUUACIJSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000682087 762085226 /nfs/dbraw/zinc/08/52/26/762085226.db2.gz HPRFUKPDERHNEN-ROUUACIJSA-N 2 1 315.461 1.632 20 30 DDEDMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035167207 751252146 /nfs/dbraw/zinc/25/21/46/751252146.db2.gz MOTJLWHDRXPPOT-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035167207 751252149 /nfs/dbraw/zinc/25/21/49/751252149.db2.gz MOTJLWHDRXPPOT-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001035167207 751252152 /nfs/dbraw/zinc/25/21/52/751252152.db2.gz MOTJLWHDRXPPOT-MRXNPFEDSA-N 2 1 303.450 1.418 20 30 DDEDMP C=CC[NH+]1CCC2(C1)CCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC001035227066 751305682 /nfs/dbraw/zinc/30/56/82/751305682.db2.gz NMCDIQSCBGNCKE-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227066 751305688 /nfs/dbraw/zinc/30/56/88/751305688.db2.gz NMCDIQSCBGNCKE-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)CC2 ZINC001035227066 751305694 /nfs/dbraw/zinc/30/56/94/751305694.db2.gz NMCDIQSCBGNCKE-HZPDHXFCSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001035257761 751335113 /nfs/dbraw/zinc/33/51/13/751335113.db2.gz CPMQLLILMACERZ-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035257761 751335120 /nfs/dbraw/zinc/33/51/20/751335120.db2.gz CPMQLLILMACERZ-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)C1)CC2 ZINC001035257761 751335127 /nfs/dbraw/zinc/33/51/27/751335127.db2.gz CPMQLLILMACERZ-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000999392181 752888384 /nfs/dbraw/zinc/88/83/84/752888384.db2.gz QXTDSVPPLZASOF-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000999392181 752888391 /nfs/dbraw/zinc/88/83/91/752888391.db2.gz QXTDSVPPLZASOF-ROUUACIJSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009244266 753124618 /nfs/dbraw/zinc/12/46/18/753124618.db2.gz GGBURRAUIQTMQQ-AWEZNQCLSA-N 2 1 300.406 1.365 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009244266 753124623 /nfs/dbraw/zinc/12/46/23/753124623.db2.gz GGBURRAUIQTMQQ-AWEZNQCLSA-N 2 1 300.406 1.365 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009247324 753125377 /nfs/dbraw/zinc/12/53/77/753125377.db2.gz QSXCYOQOJCYLPM-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001009247324 753125382 /nfs/dbraw/zinc/12/53/82/753125382.db2.gz QSXCYOQOJCYLPM-AWEZNQCLSA-N 2 1 302.422 1.918 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993490 753357621 /nfs/dbraw/zinc/35/76/21/753357621.db2.gz RIGDIROSMPJQEX-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001107993490 753357623 /nfs/dbraw/zinc/35/76/23/753357623.db2.gz RIGDIROSMPJQEX-INIZCTEOSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)C[N@@H+](CCCC)CCO1 ZINC001108004295 753484085 /nfs/dbraw/zinc/48/40/85/753484085.db2.gz QDUQPGQVBZTANI-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(C)CN(CCCC)CCO1 ZINC001108004295 753484089 /nfs/dbraw/zinc/48/40/89/753484089.db2.gz QDUQPGQVBZTANI-FUHWJXTLSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726211 754321507 /nfs/dbraw/zinc/32/15/07/754321507.db2.gz RJRUCGNPKREIGV-GJZGRUSLSA-N 2 1 303.450 1.369 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001078813362 754418191 /nfs/dbraw/zinc/41/81/91/754418191.db2.gz ZOSFVLVGQBWXRO-KGLIPLIRSA-N 2 1 322.840 1.961 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001040106676 762387125 /nfs/dbraw/zinc/38/71/25/762387125.db2.gz CJNUEEXPVRYIMR-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040106676 762387129 /nfs/dbraw/zinc/38/71/29/762387129.db2.gz CJNUEEXPVRYIMR-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001040106676 762387134 /nfs/dbraw/zinc/38/71/34/762387134.db2.gz CJNUEEXPVRYIMR-WMZOPIPTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001080700097 756058937 /nfs/dbraw/zinc/05/89/37/756058937.db2.gz LTIKONSKIFLUNE-NVXWUHKLSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001080754554 756084480 /nfs/dbraw/zinc/08/44/80/756084480.db2.gz PKQHHPOFFOOPLV-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001080754554 756084490 /nfs/dbraw/zinc/08/44/90/756084490.db2.gz PKQHHPOFFOOPLV-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080754554 756084496 /nfs/dbraw/zinc/08/44/96/756084496.db2.gz PKQHHPOFFOOPLV-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001080754554 756084504 /nfs/dbraw/zinc/08/45/04/756084504.db2.gz PKQHHPOFFOOPLV-BRWVUGGUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001015607032 756408511 /nfs/dbraw/zinc/40/85/11/756408511.db2.gz HDSBLBWQWDHMQB-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001015607032 756408513 /nfs/dbraw/zinc/40/85/13/756408513.db2.gz HDSBLBWQWDHMQB-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607032 756408516 /nfs/dbraw/zinc/40/85/16/756408516.db2.gz HDSBLBWQWDHMQB-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001015607032 756408519 /nfs/dbraw/zinc/40/85/19/756408519.db2.gz HDSBLBWQWDHMQB-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788290 756458629 /nfs/dbraw/zinc/45/86/29/756458629.db2.gz MOIAMKCEIROHPM-GVDBMIGSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788290 756458634 /nfs/dbraw/zinc/45/86/34/756458634.db2.gz MOIAMKCEIROHPM-GVDBMIGSSA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001081788290 756458639 /nfs/dbraw/zinc/45/86/39/756458639.db2.gz MOIAMKCEIROHPM-GVDBMIGSSA-N 2 1 323.481 1.356 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254772 756875026 /nfs/dbraw/zinc/87/50/26/756875026.db2.gz KKHKOWGUMXPKHH-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254772 756875032 /nfs/dbraw/zinc/87/50/32/756875032.db2.gz KKHKOWGUMXPKHH-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001016254772 756875039 /nfs/dbraw/zinc/87/50/39/756875039.db2.gz KKHKOWGUMXPKHH-IAGOWNOFSA-N 2 1 312.417 1.200 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040464996 762545730 /nfs/dbraw/zinc/54/57/30/762545730.db2.gz STRMVZPOMLSVBR-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001016930004 757485648 /nfs/dbraw/zinc/48/56/48/757485648.db2.gz HTBFOQMYTIWVPL-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001084422209 757541492 /nfs/dbraw/zinc/54/14/92/757541492.db2.gz QBSPTBDSUQTFJV-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422209 757541504 /nfs/dbraw/zinc/54/15/04/757541504.db2.gz QBSPTBDSUQTFJV-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001084422209 757541514 /nfs/dbraw/zinc/54/15/14/757541514.db2.gz QBSPTBDSUQTFJV-IXDOHACOSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C2 ZINC001097851843 757603555 /nfs/dbraw/zinc/60/35/55/757603555.db2.gz LXPMGFNELFVBJO-BSXFFOKHSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C2 ZINC001097851843 757603559 /nfs/dbraw/zinc/60/35/59/757603559.db2.gz LXPMGFNELFVBJO-BSXFFOKHSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097851843 757603564 /nfs/dbraw/zinc/60/35/64/757603564.db2.gz LXPMGFNELFVBJO-BSXFFOKHSA-N 2 1 321.440 1.554 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C2 ZINC001097851843 757603568 /nfs/dbraw/zinc/60/35/68/757603568.db2.gz LXPMGFNELFVBJO-BSXFFOKHSA-N 2 1 321.440 1.554 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001084738842 757852427 /nfs/dbraw/zinc/85/24/27/757852427.db2.gz FUNYPEFKTSPPDR-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001017572129 758041984 /nfs/dbraw/zinc/04/19/84/758041984.db2.gz VCIOHSMKCLUJLQ-VVLHAWIVSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165710 759248792 /nfs/dbraw/zinc/24/87/92/759248792.db2.gz MYBMKUBKENDDPT-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001054165710 759248796 /nfs/dbraw/zinc/24/87/96/759248796.db2.gz MYBMKUBKENDDPT-KRWDZBQOSA-N 2 1 300.406 1.139 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001019386497 759880782 /nfs/dbraw/zinc/88/07/82/759880782.db2.gz PYXDXJVYHDWLNP-YOEHRIQHSA-N 2 1 311.445 1.966 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038348351 761037070 /nfs/dbraw/zinc/03/70/70/761037070.db2.gz BXQODQIOWAAVFU-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001038348351 761037077 /nfs/dbraw/zinc/03/70/77/761037077.db2.gz BXQODQIOWAAVFU-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001038348351 761037083 /nfs/dbraw/zinc/03/70/83/761037083.db2.gz BXQODQIOWAAVFU-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001038348351 761037091 /nfs/dbraw/zinc/03/70/91/761037091.db2.gz BXQODQIOWAAVFU-DLBZAZTESA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001038647430 761247860 /nfs/dbraw/zinc/24/78/60/761247860.db2.gz SRZHMTMYOQLGQJ-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001038647430 761247867 /nfs/dbraw/zinc/24/78/67/761247867.db2.gz SRZHMTMYOQLGQJ-GJZGRUSLSA-N 2 1 302.422 1.521 20 30 DDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001038925419 761551476 /nfs/dbraw/zinc/55/14/76/761551476.db2.gz IGIYZBUSUBYULN-QGZVFWFLSA-N 2 1 324.428 1.345 20 30 DDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001038925419 761551479 /nfs/dbraw/zinc/55/14/79/761551479.db2.gz IGIYZBUSUBYULN-QGZVFWFLSA-N 2 1 324.428 1.345 20 30 DDEDMP C#CCC[NH+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001039128721 761765585 /nfs/dbraw/zinc/76/55/85/761765585.db2.gz YKOTXYLYOQJZQG-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128721 761765590 /nfs/dbraw/zinc/76/55/90/761765590.db2.gz YKOTXYLYOQJZQG-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001039128721 761765596 /nfs/dbraw/zinc/76/55/96/761765596.db2.gz YKOTXYLYOQJZQG-ROUUACIJSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](F)CC)CC1 ZINC001001491869 762912270 /nfs/dbraw/zinc/91/22/70/762912270.db2.gz LWNVIYFINGZSIT-SJORKVTESA-N 2 1 323.456 1.660 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](F)CC)CC1 ZINC001001491869 762912273 /nfs/dbraw/zinc/91/22/73/762912273.db2.gz LWNVIYFINGZSIT-SJORKVTESA-N 2 1 323.456 1.660 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001041360055 762979156 /nfs/dbraw/zinc/97/91/56/762979156.db2.gz WROPEWVONIDIMC-FUHWJXTLSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001050080335 763104476 /nfs/dbraw/zinc/10/44/76/763104476.db2.gz CNGAJIMWIUSAGR-HRCADAONSA-N 2 1 312.417 1.002 20 30 DDEDMP C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CCn4ccnc4C3)[C@@H]2C1 ZINC001050080335 763104477 /nfs/dbraw/zinc/10/44/77/763104477.db2.gz CNGAJIMWIUSAGR-HRCADAONSA-N 2 1 312.417 1.002 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001041724829 763256263 /nfs/dbraw/zinc/25/62/63/763256263.db2.gz FXBHESBQBYAVQE-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001041844502 763400830 /nfs/dbraw/zinc/40/08/30/763400830.db2.gz JSBITWMFYVPTQM-LJQANCHMSA-N 2 1 317.477 1.810 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001042132031 763687799 /nfs/dbraw/zinc/68/77/99/763687799.db2.gz CBIWGMMBRSQHDG-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001109428047 763691285 /nfs/dbraw/zinc/69/12/85/763691285.db2.gz JWHYPYBQEVYPDD-QZWWFDLISA-N 2 1 323.481 1.497 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050536042 763725857 /nfs/dbraw/zinc/72/58/57/763725857.db2.gz GGHGHRPLAOQDFL-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001050549281 763741956 /nfs/dbraw/zinc/74/19/56/763741956.db2.gz KOHBPLLZAZHLNM-INIZCTEOSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042186272 763752766 /nfs/dbraw/zinc/75/27/66/763752766.db2.gz GAFNPZUHZGILBZ-CVEARBPZSA-N 2 1 305.466 1.970 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235228 763796512 /nfs/dbraw/zinc/79/65/12/763796512.db2.gz TXMHBQGBDBPLQW-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235228 763796516 /nfs/dbraw/zinc/79/65/16/763796516.db2.gz TXMHBQGBDBPLQW-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC001042235228 763796520 /nfs/dbraw/zinc/79/65/20/763796520.db2.gz TXMHBQGBDBPLQW-IAGOWNOFSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001050661544 763885313 /nfs/dbraw/zinc/88/53/13/763885313.db2.gz XTXXVTSKSIHODB-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CC)[C@@H]3C2)CC1 ZINC001042367837 763971297 /nfs/dbraw/zinc/97/12/97/763971297.db2.gz MCJBSGXVJJSXIL-DOTOQJQBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC)[C@H]3C2)CC1 ZINC001042367166 763971533 /nfs/dbraw/zinc/97/15/33/763971533.db2.gz BUUMGYSSPGLMDI-WMZOPIPTSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@H](C)O2 ZINC001131703767 768273102 /nfs/dbraw/zinc/27/31/02/768273102.db2.gz JDJWTLXFHKLVSZ-WMZOPIPTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131703767 768273105 /nfs/dbraw/zinc/27/31/05/768273105.db2.gz JDJWTLXFHKLVSZ-WMZOPIPTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@H](C)O2 ZINC001131703767 768273109 /nfs/dbraw/zinc/27/31/09/768273109.db2.gz JDJWTLXFHKLVSZ-WMZOPIPTSA-N 2 1 323.481 1.595 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131692189 768274686 /nfs/dbraw/zinc/27/46/86/768274686.db2.gz FLPPVGCDJWVLRR-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@@H](C)O2 ZINC001131694428 768277012 /nfs/dbraw/zinc/27/70/12/768277012.db2.gz XHZDHNORSKZXKN-AEFFLSMTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@H](C)O2 ZINC001131696956 768278970 /nfs/dbraw/zinc/27/89/70/768278970.db2.gz DSPCOALLMGTMGP-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696956 768278974 /nfs/dbraw/zinc/27/89/74/768278974.db2.gz DSPCOALLMGTMGP-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@H](C)O2 ZINC001131696956 768278978 /nfs/dbraw/zinc/27/89/78/768278978.db2.gz DSPCOALLMGTMGP-WMZOPIPTSA-N 2 1 321.465 1.043 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653929 766041410 /nfs/dbraw/zinc/04/14/10/766041410.db2.gz SYPSDTXPPBMBBC-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653929 766041417 /nfs/dbraw/zinc/04/14/17/766041417.db2.gz SYPSDTXPPBMBBC-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653929 766041425 /nfs/dbraw/zinc/04/14/25/766041425.db2.gz SYPSDTXPPBMBBC-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653929 766041434 /nfs/dbraw/zinc/04/14/34/766041434.db2.gz SYPSDTXPPBMBBC-DLBZAZTESA-N 2 1 321.465 1.090 20 30 DDEDMP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccc(C#N)s1)C1CCC1 ZINC001129531917 766917273 /nfs/dbraw/zinc/91/72/73/766917273.db2.gz LTUVLUZMPKEZGP-UHFFFAOYSA-N 2 1 306.435 1.310 20 30 DDEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001047504489 768526577 /nfs/dbraw/zinc/52/65/77/768526577.db2.gz LQSXBAABKHVKJX-GJZGRUSLSA-N 2 1 321.421 1.034 20 30 DDEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001047504489 768526581 /nfs/dbraw/zinc/52/65/81/768526581.db2.gz LQSXBAABKHVKJX-GJZGRUSLSA-N 2 1 321.421 1.034 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)CC[C@@H]1C ZINC001132406474 768810486 /nfs/dbraw/zinc/81/04/86/768810486.db2.gz JQRVFYZWDAVBAT-JKSUJKDBSA-N 2 1 321.465 1.090 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241385 769181215 /nfs/dbraw/zinc/18/12/15/769181215.db2.gz TWVJKCBRXJCVQH-PBHICJAKSA-N 2 1 318.421 1.069 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1C)C[C@@H](C)O2 ZINC001071241385 769181221 /nfs/dbraw/zinc/18/12/21/769181221.db2.gz TWVJKCBRXJCVQH-PBHICJAKSA-N 2 1 318.421 1.069 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC[C@H]1C ZINC001132888331 769290256 /nfs/dbraw/zinc/29/02/56/769290256.db2.gz MHKJAXYOPXZUQW-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2C1 ZINC001048846111 769980232 /nfs/dbraw/zinc/98/02/32/769980232.db2.gz ZDMZXDYCFFPOTM-GASCZTMLSA-N 2 1 317.458 1.447 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071768785 770036829 /nfs/dbraw/zinc/03/68/29/770036829.db2.gz CRFPTYBBVHYSTQ-HOCLYGCPSA-N 2 1 317.433 1.947 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)CC[C@@H]1C ZINC001071768785 770036840 /nfs/dbraw/zinc/03/68/40/770036840.db2.gz CRFPTYBBVHYSTQ-HOCLYGCPSA-N 2 1 317.433 1.947 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC001048918530 770109880 /nfs/dbraw/zinc/10/98/80/770109880.db2.gz GTESUCHGYHYZIE-IYBDPMFKSA-N 2 1 303.450 1.581 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071869570 770202390 /nfs/dbraw/zinc/20/23/90/770202390.db2.gz SJZGGTOWEGXMGD-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)CC[C@@H]1C ZINC001071869570 770202394 /nfs/dbraw/zinc/20/23/94/770202394.db2.gz SJZGGTOWEGXMGD-JKSUJKDBSA-N 2 1 316.449 1.999 20 30 DDEDMP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133834028 770317358 /nfs/dbraw/zinc/31/73/58/770317358.db2.gz MBDPQHRKVLBUDP-CYBMUJFWSA-N 2 1 318.396 1.387 20 30 DDEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001133834028 770317371 /nfs/dbraw/zinc/31/73/71/770317371.db2.gz MBDPQHRKVLBUDP-CYBMUJFWSA-N 2 1 318.396 1.387 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001133853250 770336852 /nfs/dbraw/zinc/33/68/52/770336852.db2.gz GWZYRQHHQRWVND-ZDUSSCGKSA-N 2 1 318.396 1.245 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001133846082 770353664 /nfs/dbraw/zinc/35/36/64/770353664.db2.gz SUJAAYPEKRRECX-AWEZNQCLSA-N 2 1 300.406 1.106 20 30 DDEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001133869340 770390915 /nfs/dbraw/zinc/39/09/15/770390915.db2.gz DJVLEFJVOWHHHE-SWLSCSKDSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071997626 770409122 /nfs/dbraw/zinc/40/91/22/770409122.db2.gz CDKDEVNHCCSWMJ-LSDHHAIUSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC[C@@H]1C ZINC001071997626 770409128 /nfs/dbraw/zinc/40/91/28/770409128.db2.gz CDKDEVNHCCSWMJ-LSDHHAIUSA-N 2 1 314.433 1.754 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC=C)C2)CC1 ZINC001072095028 770534910 /nfs/dbraw/zinc/53/49/10/770534910.db2.gz FGWPUKDYTGZLMQ-FUHWJXTLSA-N 2 1 317.477 1.877 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049463881 770884861 /nfs/dbraw/zinc/88/48/61/770884861.db2.gz KEGPITZWLOAFTF-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049463881 770884876 /nfs/dbraw/zinc/88/48/76/770884876.db2.gz KEGPITZWLOAFTF-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049463881 770884885 /nfs/dbraw/zinc/88/48/85/770884885.db2.gz KEGPITZWLOAFTF-KZNAEPCWSA-N 2 1 317.477 1.948 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001049688207 771087760 /nfs/dbraw/zinc/08/77/60/771087760.db2.gz SIBYITQYGCHMKI-IAGOWNOFSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001049716757 771109914 /nfs/dbraw/zinc/10/99/14/771109914.db2.gz BKNCNDCYWBFBEN-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049716757 771109916 /nfs/dbraw/zinc/10/99/16/771109916.db2.gz BKNCNDCYWBFBEN-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001049716757 771109918 /nfs/dbraw/zinc/10/99/18/771109918.db2.gz BKNCNDCYWBFBEN-BRWVUGGUSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001134808608 771187003 /nfs/dbraw/zinc/18/70/03/771187003.db2.gz KGACEZKGWKLSDO-OLZOCXBDSA-N 2 1 306.410 1.246 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847122 771204384 /nfs/dbraw/zinc/20/43/84/771204384.db2.gz ROGFQNXMOBFFLS-GJZGRUSLSA-N 2 1 323.868 1.900 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847122 771204386 /nfs/dbraw/zinc/20/43/86/771204386.db2.gz ROGFQNXMOBFFLS-GJZGRUSLSA-N 2 1 323.868 1.900 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049919698 771261015 /nfs/dbraw/zinc/26/10/15/771261015.db2.gz PJDBLKGVQIRFGB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919698 771261018 /nfs/dbraw/zinc/26/10/18/771261018.db2.gz PJDBLKGVQIRFGB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919698 771261022 /nfs/dbraw/zinc/26/10/22/771261022.db2.gz PJDBLKGVQIRFGB-ZACQAIPSSA-N 2 1 303.450 1.559 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063871 771602949 /nfs/dbraw/zinc/60/29/49/771602949.db2.gz VGVMIXVSSLLOPN-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001097063871 771602951 /nfs/dbraw/zinc/60/29/51/771602951.db2.gz VGVMIXVSSLLOPN-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001097063871 771602953 /nfs/dbraw/zinc/60/29/53/771602953.db2.gz VGVMIXVSSLLOPN-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP CC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001097063871 771602954 /nfs/dbraw/zinc/60/29/54/771602954.db2.gz VGVMIXVSSLLOPN-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001171248456 772710190 /nfs/dbraw/zinc/71/01/90/772710190.db2.gz VMYLCCCODDPDFA-GJZGRUSLSA-N 2 1 302.422 1.658 20 30 DDEDMP C=CCCC[N@H+]1CCC2(CN(C(=O)CCn3ccnc3)C2)C1 ZINC001148010729 773316057 /nfs/dbraw/zinc/31/60/57/773316057.db2.gz IIEIQDWLPCCIQH-UHFFFAOYSA-N 2 1 302.422 1.774 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)CC3([NH+](C)C)CCCC3)C2)C1 ZINC001147986354 773322764 /nfs/dbraw/zinc/32/27/64/773322764.db2.gz RSIIVLMPSFPUOQ-UHFFFAOYSA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407365 773901992 /nfs/dbraw/zinc/90/19/92/773901992.db2.gz DLNBCFIZDYCEET-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407365 773901995 /nfs/dbraw/zinc/90/19/95/773901995.db2.gz DLNBCFIZDYCEET-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC[C@H]21 ZINC001036759481 774506230 /nfs/dbraw/zinc/50/62/30/774506230.db2.gz MQLOULCOUJRGHB-HZPDHXFCSA-N 2 1 301.434 1.171 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC001036772977 774565851 /nfs/dbraw/zinc/56/58/51/774565851.db2.gz FTOFWZFDNFHTNQ-WMLDXEAASA-N 2 1 308.385 1.504 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001036794567 774642849 /nfs/dbraw/zinc/64/28/49/774642849.db2.gz XRCJQADRJBVXNR-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001098841464 774690858 /nfs/dbraw/zinc/69/08/58/774690858.db2.gz JVFCQNLDHSNMAO-JZXOWHBKSA-N 2 1 303.450 1.485 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CC)C2)CC1 ZINC001036902362 776076640 /nfs/dbraw/zinc/07/66/40/776076640.db2.gz JQYLBDKZYFEBHD-SJORKVTESA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563517 778183302 /nfs/dbraw/zinc/18/33/02/778183302.db2.gz FLQCMQPJWYXLBC-KGLIPLIRSA-N 2 1 301.862 1.955 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115305639 780023170 /nfs/dbraw/zinc/02/31/70/780023170.db2.gz AJGSMNPIBQHIBK-MLHJIOFPSA-N 2 1 313.445 1.912 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115305639 780023177 /nfs/dbraw/zinc/02/31/77/780023177.db2.gz AJGSMNPIBQHIBK-MLHJIOFPSA-N 2 1 313.445 1.912 20 30 DDEDMP C=CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCCCC1 ZINC001115691335 780350538 /nfs/dbraw/zinc/35/05/38/780350538.db2.gz TZMHTDXZUMUEDJ-INIZCTEOSA-N 2 1 323.481 1.690 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001119297408 781397093 /nfs/dbraw/zinc/39/70/93/781397093.db2.gz MXSHJTOEKZFXJV-JYJNAYRXSA-N 2 1 306.454 1.256 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+](C)C)C1 ZINC001119297408 781397098 /nfs/dbraw/zinc/39/70/98/781397098.db2.gz MXSHJTOEKZFXJV-JYJNAYRXSA-N 2 1 306.454 1.256 20 30 DDEDMP C=C(C)CC[N@@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267202556 837526748 /nfs/dbraw/zinc/52/67/48/837526748.db2.gz BJBCKLNZWUYPAZ-UHFFFAOYSA-N 2 1 311.470 1.359 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001266469788 836307905 /nfs/dbraw/zinc/30/79/05/836307905.db2.gz RZUQHNIUBZZJQT-HUUCEWRRSA-N 2 1 302.422 1.392 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001266469788 836307920 /nfs/dbraw/zinc/30/79/20/836307920.db2.gz RZUQHNIUBZZJQT-HUUCEWRRSA-N 2 1 302.422 1.392 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001266469788 836307933 /nfs/dbraw/zinc/30/79/33/836307933.db2.gz RZUQHNIUBZZJQT-HUUCEWRRSA-N 2 1 302.422 1.392 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266895986 837017370 /nfs/dbraw/zinc/01/73/70/837017370.db2.gz VTNXDJIHDGOEBQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266895986 837017379 /nfs/dbraw/zinc/01/73/79/837017379.db2.gz VTNXDJIHDGOEBQ-IAGOWNOFSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(Br)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266979310 837139239 /nfs/dbraw/zinc/13/92/39/837139239.db2.gz CIAWGQHVEFATEA-GFCCVEGCSA-N 2 1 318.259 1.285 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C[C@H](C)CC)C2CC2)CC1 ZINC001267338138 837855563 /nfs/dbraw/zinc/85/55/63/837855563.db2.gz QXAUQBHXJIJAQN-MRXNPFEDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001268021389 839395467 /nfs/dbraw/zinc/39/54/67/839395467.db2.gz GAAGGVQJPQUOLM-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001268021389 839395475 /nfs/dbraw/zinc/39/54/75/839395475.db2.gz GAAGGVQJPQUOLM-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001268021389 839395486 /nfs/dbraw/zinc/39/54/86/839395486.db2.gz GAAGGVQJPQUOLM-OWCLPIDISA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)C ZINC001268212170 839842194 /nfs/dbraw/zinc/84/21/94/839842194.db2.gz HIAWAEBUIPHRPV-GJZGRUSLSA-N 2 1 304.438 1.760 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269281640 841464492 /nfs/dbraw/zinc/46/44/92/841464492.db2.gz TTWMPTZWHDYHLV-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269281640 841464499 /nfs/dbraw/zinc/46/44/99/841464499.db2.gz TTWMPTZWHDYHLV-MRXNPFEDSA-N 2 1 302.422 1.528 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)COC2CC[NH+](C)CC2)C1 ZINC001269286931 841472250 /nfs/dbraw/zinc/47/22/50/841472250.db2.gz DZPKOABGTNMUNE-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001270705746 842835417 /nfs/dbraw/zinc/83/54/17/842835417.db2.gz XMTSMTKAUHHPTB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001270705746 842835431 /nfs/dbraw/zinc/83/54/31/842835431.db2.gz XMTSMTKAUHHPTB-DOTOQJQBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(=C)C)CC1 ZINC001005518944 848050163 /nfs/dbraw/zinc/05/01/63/848050163.db2.gz OTRYFAYKBRCLKE-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCC(=C)C)CC1 ZINC001005518944 848050166 /nfs/dbraw/zinc/05/01/66/848050166.db2.gz OTRYFAYKBRCLKE-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001034365191 848420735 /nfs/dbraw/zinc/42/07/35/848420735.db2.gz YPLGXLRICGYQCZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001034365191 848420740 /nfs/dbraw/zinc/42/07/40/848420740.db2.gz YPLGXLRICGYQCZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCC[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001034365191 848420749 /nfs/dbraw/zinc/42/07/49/848420749.db2.gz YPLGXLRICGYQCZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365191 848420757 /nfs/dbraw/zinc/42/07/57/848420757.db2.gz YPLGXLRICGYQCZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001034365191 848420759 /nfs/dbraw/zinc/42/07/59/848420759.db2.gz YPLGXLRICGYQCZ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001327130764 861913663 /nfs/dbraw/zinc/91/36/63/861913663.db2.gz NSBULBRLQZNZTJ-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001327130764 861913680 /nfs/dbraw/zinc/91/36/80/861913680.db2.gz NSBULBRLQZNZTJ-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001327130764 861913693 /nfs/dbraw/zinc/91/36/93/861913693.db2.gz NSBULBRLQZNZTJ-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](CC)CC1 ZINC001273144045 848563212 /nfs/dbraw/zinc/56/32/12/848563212.db2.gz NTBVDCQDGXPNNC-IBGZPJMESA-N 2 1 317.477 1.809 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001273145705 848577580 /nfs/dbraw/zinc/57/75/80/848577580.db2.gz XWCQABIYSDPKJU-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001273145705 848577583 /nfs/dbraw/zinc/57/75/83/848577583.db2.gz XWCQABIYSDPKJU-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273145705 848577586 /nfs/dbraw/zinc/57/75/86/848577586.db2.gz XWCQABIYSDPKJU-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273145705 848577589 /nfs/dbraw/zinc/57/75/89/848577589.db2.gz XWCQABIYSDPKJU-GVDBMIGSSA-N 2 1 305.466 1.970 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001327173785 861942814 /nfs/dbraw/zinc/94/28/14/861942814.db2.gz TXLLOMFHQBYWHW-QGZVFWFLSA-N 2 1 305.466 1.856 20 30 DDEDMP N#Cc1cc2c(nc1N1CCC[C@@H]([NH+]3CC(C[NH3+])C3)C1)CCC2 ZINC001155382024 862017456 /nfs/dbraw/zinc/01/74/56/862017456.db2.gz KHNPDOWIMSIAME-MRXNPFEDSA-N 2 1 311.433 1.301 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC)CC1 ZINC001273763505 851314517 /nfs/dbraw/zinc/31/45/17/851314517.db2.gz XJIFBGBTBPPKLL-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC)CC1 ZINC001273763505 851314520 /nfs/dbraw/zinc/31/45/20/851314520.db2.gz XJIFBGBTBPPKLL-INIZCTEOSA-N 2 1 305.466 1.855 20 30 DDEDMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](CCCC#N)CC2)C1=O ZINC001274039858 851879402 /nfs/dbraw/zinc/87/94/02/851879402.db2.gz OLLWUFHKKCIMIK-KRWDZBQOSA-N 2 1 306.454 1.556 20 30 DDEDMP C#CC[N@@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001274955146 852715236 /nfs/dbraw/zinc/71/52/36/852715236.db2.gz FVAJQYVMUXMMTI-UHFFFAOYSA-N 2 1 302.422 1.385 20 30 DDEDMP C#CC[N@H+](CC)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001274955146 852715241 /nfs/dbraw/zinc/71/52/41/852715241.db2.gz FVAJQYVMUXMMTI-UHFFFAOYSA-N 2 1 302.422 1.385 20 30 DDEDMP C=CCCC[NH+]1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001274959483 852716787 /nfs/dbraw/zinc/71/67/87/852716787.db2.gz XXMAOHBMWPWPRC-INIZCTEOSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001275602358 853422510 /nfs/dbraw/zinc/42/25/10/853422510.db2.gz WUCORBFBROAWSS-RDHHWEPZSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001049546762 856959542 /nfs/dbraw/zinc/95/95/42/856959542.db2.gz SQVSAYAAMALFNA-IAGOWNOFSA-N 2 1 315.461 1.561 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001328285500 862864869 /nfs/dbraw/zinc/86/48/69/862864869.db2.gz RNUINBUFYVDDIJ-HOTGVXAUSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001328285502 862866440 /nfs/dbraw/zinc/86/64/40/862866440.db2.gz RNUINBUFYVDDIJ-JKSUJKDBSA-N 2 1 321.465 1.254 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4nccn4C3)C2)C1 ZINC001072870495 857824979 /nfs/dbraw/zinc/82/49/79/857824979.db2.gz LCWCLGVZESUEGP-HNNXBMFYSA-N 2 1 312.417 1.003 20 30 DDEDMP C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001072882565 857839543 /nfs/dbraw/zinc/83/95/43/857839543.db2.gz CZWRJVJFIDQTNC-UHFFFAOYSA-N 2 1 310.401 1.977 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001072907418 857871388 /nfs/dbraw/zinc/87/13/88/857871388.db2.gz IOMUBGQAWDAGHD-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907418 857871389 /nfs/dbraw/zinc/87/13/89/857871389.db2.gz IOMUBGQAWDAGHD-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001072907418 857871390 /nfs/dbraw/zinc/87/13/90/857871390.db2.gz IOMUBGQAWDAGHD-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001328440932 862974879 /nfs/dbraw/zinc/97/48/79/862974879.db2.gz NJSXYQRDXUPGAM-KRWDZBQOSA-N 2 1 315.461 1.864 20 30 DDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+](C)CC(C)(C)C)C2)C1 ZINC001121791287 858597244 /nfs/dbraw/zinc/59/72/44/858597244.db2.gz KCJVXPUZXGIBEQ-UHFFFAOYSA-N 2 1 305.466 1.615 20 30 DDEDMP C#CCC[NH2+]C1CC2(CC(NC(=O)[C@H]3CCCC[N@@H+]3CC)C2)C1 ZINC001122242425 858723435 /nfs/dbraw/zinc/72/34/35/858723435.db2.gz HDSVUPJGXADOFZ-APUKJBRXSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C12CCC2 ZINC001203038173 860637256 /nfs/dbraw/zinc/63/72/56/860637256.db2.gz XHEQZNRAJJHRER-HOTGVXAUSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001328763799 863202461 /nfs/dbraw/zinc/20/24/61/863202461.db2.gz GHKGGGQAYWDKJU-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001328869053 863296929 /nfs/dbraw/zinc/29/69/29/863296929.db2.gz KCDBCDSFAJWYNM-HTWSVDAQSA-N 2 1 317.477 1.901 20 30 DDEDMP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001330399592 864308727 /nfs/dbraw/zinc/30/87/27/864308727.db2.gz AMYLZHCHYHXQJF-RDJZCZTQSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154034356 864347655 /nfs/dbraw/zinc/34/76/55/864347655.db2.gz ZFRGQRPYPKKSFL-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154034356 864347661 /nfs/dbraw/zinc/34/76/61/864347661.db2.gz ZFRGQRPYPKKSFL-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCOCC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154034356 864347669 /nfs/dbraw/zinc/34/76/69/864347669.db2.gz ZFRGQRPYPKKSFL-CVEARBPZSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)C[C@@H]2C1 ZINC001330468980 864376509 /nfs/dbraw/zinc/37/65/09/864376509.db2.gz PXTXTZSXCZJRQW-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001330468980 864376530 /nfs/dbraw/zinc/37/65/30/864376530.db2.gz PXTXTZSXCZJRQW-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001330468980 864376549 /nfs/dbraw/zinc/37/65/49/864376549.db2.gz PXTXTZSXCZJRQW-BBWFWOEESA-N 2 1 317.477 1.711 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001158420606 864642941 /nfs/dbraw/zinc/64/29/41/864642941.db2.gz HCXWJRIMBRGOLC-RHSMWYFYSA-N 2 1 314.433 1.494 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001331016327 864779121 /nfs/dbraw/zinc/77/91/21/864779121.db2.gz MKNHUKVNDWYUAQ-KRWDZBQOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001158914656 864974497 /nfs/dbraw/zinc/97/44/97/864974497.db2.gz QRZYBWRCDOXBRJ-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC([NH+](CC)CC)CC2)C1 ZINC001331320584 865010149 /nfs/dbraw/zinc/01/01/49/865010149.db2.gz OOATUPHKNOIWFL-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC([NH+](CC)CC)CC2)C1 ZINC001331320584 865010159 /nfs/dbraw/zinc/01/01/59/865010159.db2.gz OOATUPHKNOIWFL-MRXNPFEDSA-N 2 1 320.481 1.600 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225524174 881882948 /nfs/dbraw/zinc/88/29/48/881882948.db2.gz DQLPQYDZJJYWOU-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225524174 881882962 /nfs/dbraw/zinc/88/29/62/881882962.db2.gz DQLPQYDZJJYWOU-BZUAXINKSA-N 2 1 309.454 1.300 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccsc1 ZINC001160209281 865730374 /nfs/dbraw/zinc/73/03/74/865730374.db2.gz GLLWDFROCNXBBE-HNNXBMFYSA-N 2 1 305.447 1.442 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccsc1 ZINC001160209281 865730381 /nfs/dbraw/zinc/73/03/81/865730381.db2.gz GLLWDFROCNXBBE-HNNXBMFYSA-N 2 1 305.447 1.442 20 30 DDEDMP C#CCC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676634 866015862 /nfs/dbraw/zinc/01/58/62/866015862.db2.gz CGSHPGCOAWYMFS-UHFFFAOYSA-N 2 1 300.406 1.353 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160676634 866015878 /nfs/dbraw/zinc/01/58/78/866015878.db2.gz CGSHPGCOAWYMFS-UHFFFAOYSA-N 2 1 300.406 1.353 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161101551 866370729 /nfs/dbraw/zinc/37/07/29/866370729.db2.gz DVUMBZSYACRZOR-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001161698948 866901693 /nfs/dbraw/zinc/90/16/93/866901693.db2.gz GXGJSSNIRPQRMY-QZTJIDSGSA-N 2 1 317.477 1.878 20 30 DDEDMP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001320642850 866908242 /nfs/dbraw/zinc/90/82/42/866908242.db2.gz BMHVIFNRHQRFQZ-GFCCVEGCSA-N 2 1 320.275 1.720 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001161716117 866931117 /nfs/dbraw/zinc/93/11/17/866931117.db2.gz FAFHUUHKPCXVCN-UHFFFAOYSA-N 2 1 303.450 1.797 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCCC2=CC[N@@H+](CCC)CC2)CC1 ZINC001161946878 867128106 /nfs/dbraw/zinc/12/81/06/867128106.db2.gz KBCZRSVIYPLVGR-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP C=C(C)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCOCC1)C1CCCC1 ZINC001324504746 867318210 /nfs/dbraw/zinc/31/82/10/867318210.db2.gz FAOAMHYELKFTKW-KRWDZBQOSA-N 2 1 323.481 1.549 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC001325006112 867692886 /nfs/dbraw/zinc/69/28/86/867692886.db2.gz ZZJUZLFESISLPV-INIZCTEOSA-N 2 1 323.481 1.692 20 30 DDEDMP C=CC[NH+]1CCC(F)(F)[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001325053253 867723185 /nfs/dbraw/zinc/72/31/85/867723185.db2.gz IDKLQJSQISCSTF-CYBMUJFWSA-N 2 1 303.397 1.588 20 30 DDEDMP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325053253 867723195 /nfs/dbraw/zinc/72/31/95/867723195.db2.gz IDKLQJSQISCSTF-CYBMUJFWSA-N 2 1 303.397 1.588 20 30 DDEDMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001325053253 867723208 /nfs/dbraw/zinc/72/32/08/867723208.db2.gz IDKLQJSQISCSTF-CYBMUJFWSA-N 2 1 303.397 1.588 20 30 DDEDMP CN1CCN(c2ccc(C=NN3CCC[C@H]3CO)cc2F)CC1 ZINC001325667130 868230336 /nfs/dbraw/zinc/23/03/36/868230336.db2.gz NCPGTTHUERBVOR-HNNXBMFYSA-N 2 1 320.412 1.368 20 30 DDEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC001336785745 869141087 /nfs/dbraw/zinc/14/10/87/869141087.db2.gz TUJXUGQWGFDCNA-KRWDZBQOSA-N 2 1 302.418 1.504 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001317045259 870161207 /nfs/dbraw/zinc/16/12/07/870161207.db2.gz POCOOKNNRWTNPO-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001317045259 870161212 /nfs/dbraw/zinc/16/12/12/870161212.db2.gz POCOOKNNRWTNPO-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001317045259 870161217 /nfs/dbraw/zinc/16/12/17/870161217.db2.gz POCOOKNNRWTNPO-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317160650 870387254 /nfs/dbraw/zinc/38/72/54/870387254.db2.gz ZGDQRLOKDFREFU-INIZCTEOSA-N 2 1 307.482 1.816 20 30 DDEDMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001317848171 871586962 /nfs/dbraw/zinc/58/69/62/871586962.db2.gz KGLNEJRGSAEMQZ-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317848171 871586966 /nfs/dbraw/zinc/58/69/66/871586966.db2.gz KGLNEJRGSAEMQZ-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317848171 871586970 /nfs/dbraw/zinc/58/69/70/871586970.db2.gz KGLNEJRGSAEMQZ-IRXDYDNUSA-N 2 1 305.466 1.522 20 30 DDEDMP C=CC[C@]1(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CCC[NH2+]1 ZINC001341730173 871794081 /nfs/dbraw/zinc/79/40/81/871794081.db2.gz POMMSJNKFUEMBX-OFQRWUPVSA-N 2 1 309.479 1.381 20 30 DDEDMP C=CC[C@]1(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CCC[NH2+]1 ZINC001341730173 871794084 /nfs/dbraw/zinc/79/40/84/871794084.db2.gz POMMSJNKFUEMBX-OFQRWUPVSA-N 2 1 309.479 1.381 20 30 DDEDMP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CCC[NH2+]1 ZINC001341730172 871794682 /nfs/dbraw/zinc/79/46/82/871794682.db2.gz POMMSJNKFUEMBX-IJEWVQPXSA-N 2 1 309.479 1.381 20 30 DDEDMP C=CC[C@]1(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CCC[NH2+]1 ZINC001341730172 871794694 /nfs/dbraw/zinc/79/46/94/871794694.db2.gz POMMSJNKFUEMBX-IJEWVQPXSA-N 2 1 309.479 1.381 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001318445799 872056324 /nfs/dbraw/zinc/05/63/24/872056324.db2.gz QAEMURJGLLNUHV-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001318445799 872056347 /nfs/dbraw/zinc/05/63/47/872056347.db2.gz QAEMURJGLLNUHV-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001318445799 872056367 /nfs/dbraw/zinc/05/63/67/872056367.db2.gz QAEMURJGLLNUHV-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001318445799 872056388 /nfs/dbraw/zinc/05/63/88/872056388.db2.gz QAEMURJGLLNUHV-CVEARBPZSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001206275732 872177449 /nfs/dbraw/zinc/17/74/49/872177449.db2.gz ZQGVPKTUKNRWPQ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001206282526 872184200 /nfs/dbraw/zinc/18/42/00/872184200.db2.gz UVKQUNUFYRAEDI-NVXWUHKLSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001206548981 872430044 /nfs/dbraw/zinc/43/00/44/872430044.db2.gz SUPSFEOKFFQOOQ-MSOLQXFVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001206939940 872812667 /nfs/dbraw/zinc/81/26/67/872812667.db2.gz AJXSPDJTSBTKPK-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206939940 872812670 /nfs/dbraw/zinc/81/26/70/872812670.db2.gz AJXSPDJTSBTKPK-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001208279017 873954741 /nfs/dbraw/zinc/95/47/41/873954741.db2.gz FVWKMZDQJVNCNC-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc(C#N)cc1 ZINC001378203533 874421240 /nfs/dbraw/zinc/42/12/40/874421240.db2.gz SSSUVAFHPPTEBU-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001378203533 874421243 /nfs/dbraw/zinc/42/12/43/874421243.db2.gz SSSUVAFHPPTEBU-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001378203533 874421246 /nfs/dbraw/zinc/42/12/46/874421246.db2.gz SSSUVAFHPPTEBU-HNNXBMFYSA-N 2 1 316.449 1.837 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001209640369 875027389 /nfs/dbraw/zinc/02/73/89/875027389.db2.gz BKRRDBPZIPVKFB-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209640382 875027468 /nfs/dbraw/zinc/02/74/68/875027468.db2.gz BMBSGPWGDOJKAH-YJBOKZPZSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@H]2C)CC1 ZINC001211307343 875748439 /nfs/dbraw/zinc/74/84/39/875748439.db2.gz UKBAMTWLVNBGLX-SJLPKXTDSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001378970388 876036569 /nfs/dbraw/zinc/03/65/69/876036569.db2.gz VBAHYAJBDWXEEK-UONOGXRCSA-N 2 1 301.862 1.954 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC001214879253 876492382 /nfs/dbraw/zinc/49/23/82/876492382.db2.gz TXYPUWOZBXKRNZ-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC(C)C)C1 ZINC001214879253 876492385 /nfs/dbraw/zinc/49/23/85/876492385.db2.gz TXYPUWOZBXKRNZ-KURKYZTESA-N 2 1 319.493 1.957 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950213 876518784 /nfs/dbraw/zinc/51/87/84/876518784.db2.gz MNOUAPIICCAVRW-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950213 876518793 /nfs/dbraw/zinc/51/87/93/876518793.db2.gz MNOUAPIICCAVRW-KLHDSHLOSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052326 877890279 /nfs/dbraw/zinc/89/02/79/877890279.db2.gz TZABMPZYVOKFCI-DLBZAZTESA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665248 878438124 /nfs/dbraw/zinc/43/81/24/878438124.db2.gz CROVQMNBSWDVGY-ZNMIVQPWSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](O)C1 ZINC001219665248 878438132 /nfs/dbraw/zinc/43/81/32/878438132.db2.gz CROVQMNBSWDVGY-ZNMIVQPWSA-N 2 1 320.437 1.134 20 30 DDEDMP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001220868457 879330546 /nfs/dbraw/zinc/33/05/46/879330546.db2.gz KLDJQRYCLDTNDV-SOLBZPMBSA-N 2 1 321.465 1.302 20 30 DDEDMP N#Cc1cccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1Cl ZINC001222095011 880244955 /nfs/dbraw/zinc/24/49/55/880244955.db2.gz LZZXBZLOOVELCC-UHFFFAOYSA-N 2 1 304.825 1.739 20 30 DDEDMP N#Cc1ccc2[nH]cc(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)c2c1 ZINC001222502369 880516830 /nfs/dbraw/zinc/51/68/30/880516830.db2.gz KDKQTDDDFGOCLC-ROUUACIJSA-N 2 1 309.417 1.565 20 30 DDEDMP CCc1cc(C#N)ccc1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001277239322 883164213 /nfs/dbraw/zinc/16/42/13/883164213.db2.gz OTVAEFJETLHXHL-UHFFFAOYSA-N 2 1 312.461 1.942 20 30 DDEDMP C#CCC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001277447464 884355242 /nfs/dbraw/zinc/35/52/42/884355242.db2.gz JZYNRUWHHLDZDB-UHFFFAOYSA-N 2 1 305.466 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001281682298 888529738 /nfs/dbraw/zinc/52/97/38/888529738.db2.gz HRZNIBLWCZKEJJ-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC=C)CC1 ZINC001278128539 889790332 /nfs/dbraw/zinc/79/03/32/889790332.db2.gz NUTGVOHKHHJRBS-SFHVURJKSA-N 2 1 317.477 1.973 20 30 DDEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C(=O)OC ZINC001246001032 892320072 /nfs/dbraw/zinc/32/00/72/892320072.db2.gz GHMZYMMDOONWCL-OAGGEKHMSA-N 2 1 314.470 1.839 20 30 DDEDMP C=CCn1c(=O)ccc2c1CC[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C2 ZINC001246156342 892451553 /nfs/dbraw/zinc/45/15/53/892451553.db2.gz JMXGTJFXHZROKS-IMJJTQAJSA-N 2 1 301.434 1.622 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001246307101 892528423 /nfs/dbraw/zinc/52/84/23/892528423.db2.gz JOGGCFSMIZOSHW-HOTGVXAUSA-N 3 1 313.486 1.923 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001246304607 892528821 /nfs/dbraw/zinc/52/88/21/892528821.db2.gz NXMGMEWIGOTYIX-OLZOCXBDSA-N 2 1 323.462 1.817 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H](C)CC[NH+](CC)CC ZINC001246307099 892529908 /nfs/dbraw/zinc/52/99/08/892529908.db2.gz JOGGCFSMIZOSHW-CVEARBPZSA-N 3 1 313.486 1.923 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+]C[C@H]2C[NH2+]CCN2)CC1 ZINC001246490848 892655634 /nfs/dbraw/zinc/65/56/34/892655634.db2.gz QTVQHWQARFMLMY-LXPRWKDFSA-N 2 1 316.424 1.681 20 30 DDEDMP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001278569945 894290740 /nfs/dbraw/zinc/29/07/40/894290740.db2.gz AWPCQMFGWWJATB-QWHCGFSZSA-N 2 1 306.410 1.410 20 30 DDEDMP C=C[C@@](C)(O)C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001252552775 895271059 /nfs/dbraw/zinc/27/10/59/895271059.db2.gz LVSAHYJFNKSCQN-QGZVFWFLSA-N 2 1 304.438 1.274 20 30 DDEDMP C=CCN1CC[C@]2(CCCN([C@@H]3CCC[N@H+](C)CC3)C2)C1=O ZINC001254517170 896475077 /nfs/dbraw/zinc/47/50/77/896475077.db2.gz FGXDAEQTNAYQQV-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]2C1 ZINC001254665184 896562946 /nfs/dbraw/zinc/56/29/46/896562946.db2.gz ZLZVSJHZHDQDSN-QBPKDAKJSA-N 2 1 307.438 1.348 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]2C1 ZINC001254665184 896562955 /nfs/dbraw/zinc/56/29/55/896562955.db2.gz ZLZVSJHZHDQDSN-QBPKDAKJSA-N 2 1 307.438 1.348 20 30 DDEDMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]2C1 ZINC001254665184 896562964 /nfs/dbraw/zinc/56/29/64/896562964.db2.gz ZLZVSJHZHDQDSN-QBPKDAKJSA-N 2 1 307.438 1.348 20 30 DDEDMP CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccc(C#N)s1 ZINC001367550723 897137838 /nfs/dbraw/zinc/13/78/38/897137838.db2.gz KAFGHNVVRBAGLI-CYBMUJFWSA-N 2 1 320.462 1.462 20 30 DDEDMP CN(CC[N@H+](C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001367550723 897137842 /nfs/dbraw/zinc/13/78/42/897137842.db2.gz KAFGHNVVRBAGLI-CYBMUJFWSA-N 2 1 320.462 1.462 20 30 DDEDMP CN(CC[N@@H+](C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001367550723 897137846 /nfs/dbraw/zinc/13/78/46/897137846.db2.gz KAFGHNVVRBAGLI-CYBMUJFWSA-N 2 1 320.462 1.462 20 30 DDEDMP CN(CC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367550723 897137851 /nfs/dbraw/zinc/13/78/51/897137851.db2.gz KAFGHNVVRBAGLI-CYBMUJFWSA-N 2 1 320.462 1.462 20 30 DDEDMP CN(CC[NH+](C)Cc1ccc(C#N)s1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367550723 897137858 /nfs/dbraw/zinc/13/78/58/897137858.db2.gz KAFGHNVVRBAGLI-CYBMUJFWSA-N 2 1 320.462 1.462 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001263816347 900730355 /nfs/dbraw/zinc/73/03/55/900730355.db2.gz AIHAVRYGYHRYIU-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]2C1 ZINC001264089323 900927732 /nfs/dbraw/zinc/92/77/32/900927732.db2.gz QLAFAJQJSUGQBQ-PMPSAXMXSA-N 2 1 311.445 1.633 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001264115105 900950172 /nfs/dbraw/zinc/95/01/72/900950172.db2.gz QTVBNJVCUCTVHT-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001264115105 900950178 /nfs/dbraw/zinc/95/01/78/900950178.db2.gz QTVBNJVCUCTVHT-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001264713884 901302907 /nfs/dbraw/zinc/30/29/07/901302907.db2.gz LGLBBUGIVCNTOJ-CVEARBPZSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265316674 901874252 /nfs/dbraw/zinc/87/42/52/901874252.db2.gz AGRCWOJEVBBADA-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001266015263 902760977 /nfs/dbraw/zinc/76/09/77/902760977.db2.gz AYDXZXYWFPSBHM-SFHVURJKSA-N 2 1 313.445 1.232 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(C#N)cc1 ZINC001391878621 902787203 /nfs/dbraw/zinc/78/72/03/902787203.db2.gz JDHUNORAQDYVDZ-WMLDXEAASA-N 2 1 314.433 1.494 20 30 DDEDMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001266142830 903011364 /nfs/dbraw/zinc/01/13/64/903011364.db2.gz IHFXZNIDTOZLOG-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001266142830 903011378 /nfs/dbraw/zinc/01/13/78/903011378.db2.gz IHFXZNIDTOZLOG-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP CC#CC[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001266142830 903011392 /nfs/dbraw/zinc/01/13/92/903011392.db2.gz IHFXZNIDTOZLOG-QZTJIDSGSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001281776377 905213778 /nfs/dbraw/zinc/21/37/78/905213778.db2.gz MSSKRPSPVIYIQM-SFHVURJKSA-N 2 1 313.445 1.677 20 30 DDEDMP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001281776377 905213798 /nfs/dbraw/zinc/21/37/98/905213798.db2.gz MSSKRPSPVIYIQM-SFHVURJKSA-N 2 1 313.445 1.677 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=C)C)CC1 ZINC001281966575 905369565 /nfs/dbraw/zinc/36/95/65/905369565.db2.gz AFNYNNMOVOZKME-GOSISDBHSA-N 2 1 317.477 1.831 20 30 DDEDMP CC#CC[NH2+]C1CCC(N(C)C(=O)Cn2c[nH+]cc2C)CC1 ZINC001282264148 905653924 /nfs/dbraw/zinc/65/39/24/905653924.db2.gz ZGSKJPXRXRDUEM-UHFFFAOYSA-N 2 1 302.422 1.574 20 30 DDEDMP C[NH+](CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1)C1CCC1 ZINC001371999245 906198578 /nfs/dbraw/zinc/19/85/78/906198578.db2.gz PWCFPTUMGADQQN-UHFFFAOYSA-N 2 1 314.433 1.591 20 30 DDEDMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001283331697 907149530 /nfs/dbraw/zinc/14/95/30/907149530.db2.gz FJPXPUGUHUHONU-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001283331697 907149545 /nfs/dbraw/zinc/14/95/45/907149545.db2.gz FJPXPUGUHUHONU-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001283331697 907149555 /nfs/dbraw/zinc/14/95/55/907149555.db2.gz FJPXPUGUHUHONU-QZTJIDSGSA-N 2 1 317.477 1.949 20 30 DDEDMP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC#CCOC)CC2)[NH+](C)C ZINC001284070878 908426254 /nfs/dbraw/zinc/42/62/54/908426254.db2.gz KGVHXWLYIAGESC-SOLBZPMBSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001394008034 908520685 /nfs/dbraw/zinc/52/06/85/908520685.db2.gz ZJWCHHBXXJJFTC-NEPJUHHUSA-N 2 1 320.275 1.720 20 30 DDEDMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc[nH+]c1C ZINC000329815325 529403964 /nfs/dbraw/zinc/40/39/64/529403964.db2.gz VECDQTROHCDLIB-HUUCEWRRSA-N 2 1 305.426 1.664 20 30 DDEDMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCn1cc[nH+]c1C ZINC000329815325 529403967 /nfs/dbraw/zinc/40/39/67/529403967.db2.gz VECDQTROHCDLIB-HUUCEWRRSA-N 2 1 305.426 1.664 20 30 DDEDMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C([O-])=[NH+]CCn1cc[nH+]c1C ZINC000329815325 529403973 /nfs/dbraw/zinc/40/39/73/529403973.db2.gz VECDQTROHCDLIB-HUUCEWRRSA-N 2 1 305.426 1.664 20 30 DDEDMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C([O-])=[NH+]CCn1cc[nH+]c1C ZINC000329815325 529403976 /nfs/dbraw/zinc/40/39/76/529403976.db2.gz VECDQTROHCDLIB-HUUCEWRRSA-N 2 1 305.426 1.664 20 30 DDEDMP CCc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000081569581 353683092 /nfs/dbraw/zinc/68/30/92/353683092.db2.gz PBANWOPWZTXNFV-UHFFFAOYSA-N 2 1 304.438 1.376 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090064912 353788566 /nfs/dbraw/zinc/78/85/66/353788566.db2.gz XLIMEFMMZPUTHO-ZBFHGGJFSA-N 2 1 318.421 1.675 20 30 DDEDMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1 ZINC000090064912 353788571 /nfs/dbraw/zinc/78/85/71/353788571.db2.gz XLIMEFMMZPUTHO-ZBFHGGJFSA-N 2 1 318.421 1.675 20 30 DDEDMP COCC[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000090106739 353790761 /nfs/dbraw/zinc/79/07/61/353790761.db2.gz GTCNJVQZCOGSAF-UHFFFAOYSA-N 2 1 303.406 1.637 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000321659743 354533432 /nfs/dbraw/zinc/53/34/32/354533432.db2.gz RWIGOZLEAQFULZ-RHSMWYFYSA-N 2 1 315.417 1.372 20 30 DDEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000591723822 355372155 /nfs/dbraw/zinc/37/21/55/355372155.db2.gz BKHNXEBKMDCXQS-KRWDZBQOSA-N 2 1 315.417 1.514 20 30 DDEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000591729608 355373618 /nfs/dbraw/zinc/37/36/18/355373618.db2.gz DYGIJVVENJGJHZ-IRXDYDNUSA-N 2 1 317.433 1.619 20 30 DDEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000591729607 355374199 /nfs/dbraw/zinc/37/41/99/355374199.db2.gz DYGIJVVENJGJHZ-IAGOWNOFSA-N 2 1 317.433 1.619 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595992381 356738413 /nfs/dbraw/zinc/73/84/13/356738413.db2.gz PWTQYMCRMYSNNX-HOTGVXAUSA-N 2 1 306.454 1.636 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000596359749 356863356 /nfs/dbraw/zinc/86/33/56/356863356.db2.gz CKKVBCNKEJLTJK-LBPRGKRZSA-N 2 1 320.397 1.545 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC000596359749 356863358 /nfs/dbraw/zinc/86/33/58/356863358.db2.gz CKKVBCNKEJLTJK-LBPRGKRZSA-N 2 1 320.397 1.545 20 30 DDEDMP C[N@@H+](CCCn1ccnc1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599338731 357900049 /nfs/dbraw/zinc/90/00/49/357900049.db2.gz VXANIPVMPUBHOV-HNNXBMFYSA-N 2 1 306.410 1.276 20 30 DDEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C#N)C1 ZINC000600718793 358294237 /nfs/dbraw/zinc/29/42/37/358294237.db2.gz ATHWKLZOWMYGBM-DOTOQJQBSA-N 2 1 317.433 1.619 20 30 DDEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600722162 358296268 /nfs/dbraw/zinc/29/62/68/358296268.db2.gz YOWNORMMJWXHPJ-GDBMZVCRSA-N 2 1 320.437 1.489 20 30 DDEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000602894641 359278217 /nfs/dbraw/zinc/27/82/17/359278217.db2.gz YMYGHPLSIYGXLK-GOSISDBHSA-N 2 1 317.433 1.716 20 30 DDEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000602894641 359278221 /nfs/dbraw/zinc/27/82/21/359278221.db2.gz YMYGHPLSIYGXLK-GOSISDBHSA-N 2 1 317.433 1.716 20 30 DDEDMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000602966610 359330431 /nfs/dbraw/zinc/33/04/31/359330431.db2.gz LNNWIZLDPXKYKL-INIZCTEOSA-N 2 1 323.481 1.864 20 30 DDEDMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000283015733 217388803 /nfs/dbraw/zinc/38/88/03/217388803.db2.gz GNLSVVVYMLESDK-UHFFFAOYSA-N 2 1 312.417 1.301 20 30 DDEDMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000362037526 285012979 /nfs/dbraw/zinc/01/29/79/285012979.db2.gz IYOGQTUWXKNHPX-TVFCKZIOSA-N 2 1 321.465 1.927 20 30 DDEDMP COCCN(C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727982 422822746 /nfs/dbraw/zinc/82/27/46/422822746.db2.gz DFOYIZDTRBHHJC-GOSISDBHSA-N 2 1 317.433 1.462 20 30 DDEDMP COCCN(C)C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727982 422822753 /nfs/dbraw/zinc/82/27/53/422822753.db2.gz DFOYIZDTRBHHJC-GOSISDBHSA-N 2 1 317.433 1.462 20 30 DDEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000103338383 407337224 /nfs/dbraw/zinc/33/72/24/407337224.db2.gz UERDAVIXUUVHER-INIZCTEOSA-N 2 1 321.469 1.217 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000106339276 407359600 /nfs/dbraw/zinc/35/96/00/407359600.db2.gz RZMDIPYPTXEURY-AWEZNQCLSA-N 2 1 308.470 1.809 20 30 DDEDMP COc1ccccc1CNC(=[NH2+])NCC[N@H+]1CCC[C@H](C)C1 ZINC000170913365 407555464 /nfs/dbraw/zinc/55/54/64/407555464.db2.gz YSDKJZNORKGCQI-AWEZNQCLSA-N 2 1 304.438 1.831 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247224390 408433473 /nfs/dbraw/zinc/43/34/73/408433473.db2.gz MLABFVDUKJOACL-HZPDHXFCSA-N 2 1 303.406 1.181 20 30 DDEDMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000247224390 408433477 /nfs/dbraw/zinc/43/34/77/408433477.db2.gz MLABFVDUKJOACL-HZPDHXFCSA-N 2 1 303.406 1.181 20 30 DDEDMP CC[C@]1(CO)CCC[NH+]1CC#CC[N@@H+]1CCC[C@]1(CC)CO ZINC000342142133 409564436 /nfs/dbraw/zinc/56/44/36/409564436.db2.gz YUEGRTCNBIFCIG-QZTJIDSGSA-N 2 1 308.466 1.464 20 30 DDEDMP C=C(C)C[N@H+](C)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000351104333 410037405 /nfs/dbraw/zinc/03/74/05/410037405.db2.gz SYNIMQIFKRJTNQ-UHFFFAOYSA-N 2 1 307.463 1.900 20 30 DDEDMP C=C(C)CN(C)CC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000351104333 410037410 /nfs/dbraw/zinc/03/74/10/410037410.db2.gz SYNIMQIFKRJTNQ-UHFFFAOYSA-N 2 1 307.463 1.900 20 30 DDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)CCC[N@@H+]1C ZINC000329184856 410153324 /nfs/dbraw/zinc/15/33/24/410153324.db2.gz OLBOOAPIDNIIQV-CWRNSKLLSA-N 2 1 319.453 1.854 20 30 DDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)CCC[N@H+]1C ZINC000329184856 410153332 /nfs/dbraw/zinc/15/33/32/410153332.db2.gz OLBOOAPIDNIIQV-CWRNSKLLSA-N 2 1 319.453 1.854 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000358806320 410534125 /nfs/dbraw/zinc/53/41/25/410534125.db2.gz NAJDOPXFMLMYQL-CVEARBPZSA-N 2 1 306.454 1.563 20 30 DDEDMP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1CC[N@@H+](C)C1 ZINC000261673549 222254196 /nfs/dbraw/zinc/25/41/96/222254196.db2.gz CHHNBIOELWODCW-CYBMUJFWSA-N 2 1 309.483 1.419 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC[C@@]2(CCOC2)C1 ZINC000261950139 222264017 /nfs/dbraw/zinc/26/40/17/222264017.db2.gz HBXVQVCFUWKKCQ-WMLDXEAASA-N 2 1 306.454 1.159 20 30 DDEDMP COc1ccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+]2CCCC2)cc1 ZINC000262628769 222287212 /nfs/dbraw/zinc/28/72/12/222287212.db2.gz FDJYOMBVFIQZLA-BBRMVZONSA-N 2 1 302.422 1.769 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c2c(nn1C)CCCC2 ZINC000262687123 222290143 /nfs/dbraw/zinc/29/01/43/222290143.db2.gz VIVJLTSUMBTEJY-CYBMUJFWSA-N 2 1 318.469 1.188 20 30 DDEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCOCC1)c1ccccc1 ZINC000264083310 222315506 /nfs/dbraw/zinc/31/55/06/222315506.db2.gz JCBGDRPIKWNLBI-MRXNPFEDSA-N 2 1 304.438 1.716 20 30 DDEDMP CCN1CC[NH+](Cc2ccccc2CNC(NC)=[NH+]C)CC1 ZINC000264099051 222317192 /nfs/dbraw/zinc/31/71/92/222317192.db2.gz NQAIACKJZYLNSC-UHFFFAOYSA-N 2 1 303.454 1.119 20 30 DDEDMP C[C@@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000264106771 222318400 /nfs/dbraw/zinc/31/84/00/222318400.db2.gz PTEBDFRXMYAKLH-INIZCTEOSA-N 2 1 318.465 1.807 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264110394 222319011 /nfs/dbraw/zinc/31/90/11/222319011.db2.gz QPFBBBQPCPXHTK-UHFFFAOYSA-N 2 1 316.453 1.074 20 30 DDEDMP C=CCOCCCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000361799233 418711435 /nfs/dbraw/zinc/71/14/35/418711435.db2.gz XMKZSLWJDHUCPO-UHFFFAOYSA-N 2 1 311.470 1.454 20 30 DDEDMP N#CCCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000424078914 228225479 /nfs/dbraw/zinc/22/54/79/228225479.db2.gz QREUNVGVUVKHMN-HNNXBMFYSA-N 2 1 322.453 1.159 20 30 DDEDMP CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451569788 420603318 /nfs/dbraw/zinc/60/33/18/420603318.db2.gz OPASCGMYWWJJDL-XLAORIBOSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451569788 420603323 /nfs/dbraw/zinc/60/33/23/420603323.db2.gz OPASCGMYWWJJDL-XLAORIBOSA-N 2 1 308.466 1.703 20 30 DDEDMP CO[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451569788 420603325 /nfs/dbraw/zinc/60/33/25/420603325.db2.gz OPASCGMYWWJJDL-XLAORIBOSA-N 2 1 308.466 1.703 20 30 DDEDMP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C1 ZINC000651710551 423652757 /nfs/dbraw/zinc/65/27/57/423652757.db2.gz GARHSMDVAIZNLX-KURKYZTESA-N 2 1 307.482 1.727 20 30 DDEDMP C=CC[NH+]1CCC(NC[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644549061 423700021 /nfs/dbraw/zinc/70/00/21/423700021.db2.gz LDPLEZFZTYRFFX-IBGZPJMESA-N 2 1 317.477 1.719 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654431245 423878225 /nfs/dbraw/zinc/87/82/25/423878225.db2.gz BRXCHLLPGPPKMH-SJORKVTESA-N 2 1 320.481 1.953 20 30 DDEDMP CCCN(CC#N)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569588503 332147860 /nfs/dbraw/zinc/14/78/60/332147860.db2.gz BVLCNGAETIUJQI-UHFFFAOYSA-N 2 1 320.481 1.945 20 30 DDEDMP CCN(C[C@H](C)C#N)C(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000245435769 341293863 /nfs/dbraw/zinc/29/38/63/341293863.db2.gz DBLASNBOONGLPP-HZPDHXFCSA-N 2 1 308.470 1.801 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(CCC)CC[NH+]1CCCC1 ZINC000491337779 526807080 /nfs/dbraw/zinc/80/70/80/526807080.db2.gz CQYFXHBWFFASJS-UHFFFAOYSA-N 2 1 308.470 1.459 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000491428588 526813746 /nfs/dbraw/zinc/81/37/46/526813746.db2.gz PPWVNXVUUINNGS-MRXNPFEDSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000491428588 526813751 /nfs/dbraw/zinc/81/37/51/526813751.db2.gz PPWVNXVUUINNGS-MRXNPFEDSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000491428588 526813752 /nfs/dbraw/zinc/81/37/52/526813752.db2.gz PPWVNXVUUINNGS-MRXNPFEDSA-N 2 1 308.470 1.505 20 30 DDEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000491484958 526824999 /nfs/dbraw/zinc/82/49/99/526824999.db2.gz LYPKMWSXXFSQRU-UHFFFAOYSA-N 2 1 303.406 1.429 20 30 DDEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000491484958 526825004 /nfs/dbraw/zinc/82/50/04/526825004.db2.gz LYPKMWSXXFSQRU-UHFFFAOYSA-N 2 1 303.406 1.429 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC000980186794 696703812 /nfs/dbraw/zinc/70/38/12/696703812.db2.gz ORVMMWDANQPTSR-RCCFBDPRSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980238338 696715863 /nfs/dbraw/zinc/71/58/63/696715863.db2.gz KADDSMIKIJZYDX-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc[nH+]c3C)C[C@H]2C1 ZINC000980238338 696715866 /nfs/dbraw/zinc/71/58/66/696715866.db2.gz KADDSMIKIJZYDX-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180409 695170138 /nfs/dbraw/zinc/17/01/38/695170138.db2.gz YCDCVCUPJXWBEX-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC000972180409 695170139 /nfs/dbraw/zinc/17/01/39/695170139.db2.gz YCDCVCUPJXWBEX-RDJZCZTQSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000974745040 695724659 /nfs/dbraw/zinc/72/46/59/695724659.db2.gz WHSXVGNRCHWDAB-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970393 695770464 /nfs/dbraw/zinc/77/04/64/695770464.db2.gz KDOBMKUXWUHGPC-GJZGRUSLSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[NH+]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970393 695770465 /nfs/dbraw/zinc/77/04/65/695770465.db2.gz KDOBMKUXWUHGPC-GJZGRUSLSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970393 695770466 /nfs/dbraw/zinc/77/04/66/695770466.db2.gz KDOBMKUXWUHGPC-GJZGRUSLSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C(C)(C)C1 ZINC000974970393 695770467 /nfs/dbraw/zinc/77/04/67/695770467.db2.gz KDOBMKUXWUHGPC-GJZGRUSLSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(C)C)CC2(C)C)CC1 ZINC000977658446 696247286 /nfs/dbraw/zinc/24/72/86/696247286.db2.gz UFDYJHVZDIBPJA-KRWDZBQOSA-N 2 1 319.493 1.814 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978180829 696336801 /nfs/dbraw/zinc/33/68/01/696336801.db2.gz OUUXQGWYLHKTNS-SMLCLMEVSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978180829 696336804 /nfs/dbraw/zinc/33/68/04/696336804.db2.gz OUUXQGWYLHKTNS-SMLCLMEVSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978180829 696336807 /nfs/dbraw/zinc/33/68/07/696336807.db2.gz OUUXQGWYLHKTNS-SMLCLMEVSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978634531 696429583 /nfs/dbraw/zinc/42/95/83/696429583.db2.gz ZMSNZEDAAQGIGM-QSPRXWTASA-N 2 1 314.433 1.234 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC000978634531 696429584 /nfs/dbraw/zinc/42/95/84/696429584.db2.gz ZMSNZEDAAQGIGM-QSPRXWTASA-N 2 1 314.433 1.234 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C[C@H]2C1 ZINC000980080899 696684811 /nfs/dbraw/zinc/68/48/11/696684811.db2.gz CEWNRHVVRKCNGH-YESZJQIVSA-N 2 1 315.461 1.465 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980141035 696690773 /nfs/dbraw/zinc/69/07/73/696690773.db2.gz JTHCILQRMYNCTI-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@@H]2C1 ZINC000980141035 696690774 /nfs/dbraw/zinc/69/07/74/696690774.db2.gz JTHCILQRMYNCTI-GVDBMIGSSA-N 2 1 314.433 1.432 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000798956942 700106183 /nfs/dbraw/zinc/10/61/83/700106183.db2.gz QTFDSJJIMXYKLC-QGZVFWFLSA-N 2 1 301.434 1.967 20 30 DDEDMP C=CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981776009 696912030 /nfs/dbraw/zinc/91/20/30/696912030.db2.gz BKBRTYYVJRHKON-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776009 696912032 /nfs/dbraw/zinc/91/20/32/696912032.db2.gz BKBRTYYVJRHKON-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981776009 696912034 /nfs/dbraw/zinc/91/20/34/696912034.db2.gz BKBRTYYVJRHKON-HZPDHXFCSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981842334 696939906 /nfs/dbraw/zinc/93/99/06/696939906.db2.gz ZHWSPLJAJMGMCC-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000981842334 696939908 /nfs/dbraw/zinc/93/99/08/696939908.db2.gz ZHWSPLJAJMGMCC-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981842334 696939909 /nfs/dbraw/zinc/93/99/09/696939909.db2.gz ZHWSPLJAJMGMCC-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000981842334 696939910 /nfs/dbraw/zinc/93/99/10/696939910.db2.gz ZHWSPLJAJMGMCC-HZPDHXFCSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000981957320 696984157 /nfs/dbraw/zinc/98/41/57/696984157.db2.gz IGBSOKYIXHMGFP-QGZVFWFLSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CC[NH+]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000981957320 696984158 /nfs/dbraw/zinc/98/41/58/696984158.db2.gz IGBSOKYIXHMGFP-QGZVFWFLSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CC[N@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957320 696984159 /nfs/dbraw/zinc/98/41/59/696984159.db2.gz IGBSOKYIXHMGFP-QGZVFWFLSA-N 2 1 311.445 1.919 20 30 DDEDMP C=CC[N@@H+]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000981957320 696984161 /nfs/dbraw/zinc/98/41/61/696984161.db2.gz IGBSOKYIXHMGFP-QGZVFWFLSA-N 2 1 311.445 1.919 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC000982082923 697025401 /nfs/dbraw/zinc/02/54/01/697025401.db2.gz BQWYNTXGYRTUEU-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000981227117 697040309 /nfs/dbraw/zinc/04/03/09/697040309.db2.gz DGJHEUATUNCJMU-UONOGXRCSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000981324706 697066323 /nfs/dbraw/zinc/06/63/23/697066323.db2.gz SARFXPGYJILPKD-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324706 697066325 /nfs/dbraw/zinc/06/63/25/697066325.db2.gz SARFXPGYJILPKD-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000981324706 697066328 /nfs/dbraw/zinc/06/63/28/697066328.db2.gz SARFXPGYJILPKD-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC000981484471 697108735 /nfs/dbraw/zinc/10/87/35/697108735.db2.gz RAIIULYJDMLCJD-OAHLLOKOSA-N 2 1 316.449 1.933 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982373213 697116332 /nfs/dbraw/zinc/11/63/32/697116332.db2.gz BYJJAMXZACGMJQ-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3c[nH+]cc3C)C[C@@]2(C)C1 ZINC000982373213 697116333 /nfs/dbraw/zinc/11/63/33/697116333.db2.gz BYJJAMXZACGMJQ-HDICACEKSA-N 2 1 316.449 1.938 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC000981524878 697118691 /nfs/dbraw/zinc/11/86/91/697118691.db2.gz SUIGTODWRCQLEC-ZIAGYGMSSA-N 2 1 310.829 1.961 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982807325 697181140 /nfs/dbraw/zinc/18/11/40/697181140.db2.gz DIJQXIUCZOZYMJ-HDICACEKSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3C)C[C@@]2(C)C1 ZINC000982807325 697181141 /nfs/dbraw/zinc/18/11/41/697181141.db2.gz DIJQXIUCZOZYMJ-HDICACEKSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CCCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000773274574 697737474 /nfs/dbraw/zinc/73/74/74/697737474.db2.gz FCVBBWAJVYIDBU-UHFFFAOYSA-N 2 1 300.406 1.966 20 30 DDEDMP CCNC(NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)=[NH+]CC ZINC000750541970 700230107 /nfs/dbraw/zinc/23/01/07/700230107.db2.gz GYQRVXGDHVLPOU-AWEZNQCLSA-N 2 1 323.510 1.612 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc2ccccc2[nH]1 ZINC000303991766 698613253 /nfs/dbraw/zinc/61/32/53/698613253.db2.gz ZYVHLIAJYZULTC-UHFFFAOYSA-N 2 1 315.421 1.295 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(SC)CCOCC1 ZINC000304776992 698624912 /nfs/dbraw/zinc/62/49/12/698624912.db2.gz DIRRPLGADQWSKZ-ZDUSSCGKSA-N 2 1 314.499 1.287 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000989616470 698695816 /nfs/dbraw/zinc/69/58/16/698695816.db2.gz WIKGGQQTPQGFCZ-DZGCQCFKSA-N 2 1 309.373 1.093 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991063560 699219419 /nfs/dbraw/zinc/21/94/19/699219419.db2.gz BFMXBSWFOGNUQU-IIDMSEBBSA-N 2 1 312.417 1.507 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC000991063560 699219422 /nfs/dbraw/zinc/21/94/22/699219422.db2.gz BFMXBSWFOGNUQU-IIDMSEBBSA-N 2 1 312.417 1.507 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000730098411 699500987 /nfs/dbraw/zinc/50/09/87/699500987.db2.gz BWQGDULOCNJOHR-ROUUACIJSA-N 2 1 313.445 1.812 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000730098411 699500988 /nfs/dbraw/zinc/50/09/88/699500988.db2.gz BWQGDULOCNJOHR-ROUUACIJSA-N 2 1 313.445 1.812 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000730278210 699505954 /nfs/dbraw/zinc/50/59/54/699505954.db2.gz LCRRSHJREIKTCS-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000730278210 699505956 /nfs/dbraw/zinc/50/59/56/699505956.db2.gz LCRRSHJREIKTCS-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000730278210 699505959 /nfs/dbraw/zinc/50/59/59/699505959.db2.gz LCRRSHJREIKTCS-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000730278210 699505960 /nfs/dbraw/zinc/50/59/60/699505960.db2.gz LCRRSHJREIKTCS-IRXDYDNUSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742118049 699860726 /nfs/dbraw/zinc/86/07/26/699860726.db2.gz HUXBLJPUXMBFKE-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000742118049 699860727 /nfs/dbraw/zinc/86/07/27/699860727.db2.gz HUXBLJPUXMBFKE-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3cccc(C#N)c3=O)C2)CC1 ZINC000758242310 700693713 /nfs/dbraw/zinc/69/37/13/700693713.db2.gz MKRGMPYMTFZCGQ-MRXNPFEDSA-N 2 1 300.406 1.341 20 30 DDEDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3cccc(C#N)c3=O)C2)CC1 ZINC000758242310 700693714 /nfs/dbraw/zinc/69/37/14/700693714.db2.gz MKRGMPYMTFZCGQ-MRXNPFEDSA-N 2 1 300.406 1.341 20 30 DDEDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879578067 706725656 /nfs/dbraw/zinc/72/56/56/706725656.db2.gz AQDAMHLPQLBQON-PMPSAXMXSA-N 2 1 307.438 1.084 20 30 DDEDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879578067 706725657 /nfs/dbraw/zinc/72/56/57/706725657.db2.gz AQDAMHLPQLBQON-PMPSAXMXSA-N 2 1 307.438 1.084 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879578067 706725659 /nfs/dbraw/zinc/72/56/59/706725659.db2.gz AQDAMHLPQLBQON-PMPSAXMXSA-N 2 1 307.438 1.084 20 30 DDEDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCOCC3)CC[C@@H]21 ZINC000879578067 706725661 /nfs/dbraw/zinc/72/56/61/706725661.db2.gz AQDAMHLPQLBQON-PMPSAXMXSA-N 2 1 307.438 1.084 20 30 DDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852861670 704152108 /nfs/dbraw/zinc/15/21/08/704152108.db2.gz GVIWMYOETKGIHT-IYBDPMFKSA-N 2 1 319.493 1.862 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000852879303 704158586 /nfs/dbraw/zinc/15/85/86/704158586.db2.gz UTFGWMOGORGKGF-KRWDZBQOSA-N 2 1 315.392 1.302 20 30 DDEDMP C#C[C@H](CCC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000820640723 704313845 /nfs/dbraw/zinc/31/38/45/704313845.db2.gz PWYHEPQONIJOFZ-SJORKVTESA-N 2 1 322.497 1.846 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000876709248 705831481 /nfs/dbraw/zinc/83/14/81/705831481.db2.gz NCVHIUPQNQDHKD-GJZGRUSLSA-N 2 1 307.825 1.847 20 30 DDEDMP CC[N@@H+](CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)C(C)C ZINC000876748920 705855262 /nfs/dbraw/zinc/85/52/62/705855262.db2.gz JDIBHNBIBVZULJ-QGZVFWFLSA-N 2 1 314.433 1.592 20 30 DDEDMP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000863553247 705955965 /nfs/dbraw/zinc/95/59/65/705955965.db2.gz XXRVXEMSVXWMID-CVEARBPZSA-N 2 1 307.438 1.274 20 30 DDEDMP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)CC[C@@H]21 ZINC000877248534 706033638 /nfs/dbraw/zinc/03/36/38/706033638.db2.gz BDFUSURMXDEMTH-BPQIPLTHSA-N 2 1 324.428 1.298 20 30 DDEDMP C=CCCn1cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nn1 ZINC000871785115 707204117 /nfs/dbraw/zinc/20/41/17/707204117.db2.gz RPFCFLDFAMVFQV-LQDVMPOASA-N 2 1 318.425 1.725 20 30 DDEDMP C=CCCn1cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1 ZINC000871785115 707204119 /nfs/dbraw/zinc/20/41/19/707204119.db2.gz RPFCFLDFAMVFQV-LQDVMPOASA-N 2 1 318.425 1.725 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000884040396 708114016 /nfs/dbraw/zinc/11/40/16/708114016.db2.gz SAHVSXBXDHTYCS-CQSZACIVSA-N 2 1 320.481 1.692 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000884040396 708114019 /nfs/dbraw/zinc/11/40/19/708114019.db2.gz SAHVSXBXDHTYCS-CQSZACIVSA-N 2 1 320.481 1.692 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000884300238 708232875 /nfs/dbraw/zinc/23/28/75/708232875.db2.gz SWFDNHGFGQUWCP-MRXNPFEDSA-N 2 1 318.465 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000884300238 708232879 /nfs/dbraw/zinc/23/28/79/708232879.db2.gz SWFDNHGFGQUWCP-MRXNPFEDSA-N 2 1 318.465 1.258 20 30 DDEDMP C#CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC[NH+](C)CC1 ZINC000886573746 708779235 /nfs/dbraw/zinc/77/92/35/708779235.db2.gz VIVVYBANDNUOKQ-RDJZCZTQSA-N 2 1 303.450 1.559 20 30 DDEDMP C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000898585264 708797682 /nfs/dbraw/zinc/79/76/82/708797682.db2.gz QFGBQSDCEVVDRB-HNNXBMFYSA-N 2 1 301.434 1.670 20 30 DDEDMP C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000898585264 708797685 /nfs/dbraw/zinc/79/76/85/708797685.db2.gz QFGBQSDCEVVDRB-HNNXBMFYSA-N 2 1 301.434 1.670 20 30 DDEDMP C=CCN1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000887134067 708967482 /nfs/dbraw/zinc/96/74/82/708967482.db2.gz BHRRSKOPFZVADV-GDBMZVCRSA-N 2 1 300.406 1.379 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000887134067 708967486 /nfs/dbraw/zinc/96/74/86/708967486.db2.gz BHRRSKOPFZVADV-GDBMZVCRSA-N 2 1 300.406 1.379 20 30 DDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900378947 709564234 /nfs/dbraw/zinc/56/42/34/709564234.db2.gz YWYLULMDLBXXSQ-JKSUJKDBSA-N 2 1 306.454 1.697 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CCC)[C@H]2CC[N@H+](C)C2)C1 ZINC000890363423 709836496 /nfs/dbraw/zinc/83/64/96/709836496.db2.gz OIKUPIDJMMMHKE-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)C1 ZINC000890363423 709836497 /nfs/dbraw/zinc/83/64/97/709836497.db2.gz OIKUPIDJMMMHKE-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCC)[C@H]2CC[NH+](C)C2)C1 ZINC000890363423 709836500 /nfs/dbraw/zinc/83/65/00/709836500.db2.gz OIKUPIDJMMMHKE-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCC)[C@H]2CC[NH+](C)C2)C1 ZINC000890363423 709836503 /nfs/dbraw/zinc/83/65/03/709836503.db2.gz OIKUPIDJMMMHKE-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000892852212 710512974 /nfs/dbraw/zinc/51/29/74/710512974.db2.gz XLODYFKYKFXDOM-ZBFHGGJFSA-N 2 1 306.454 1.372 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000911900354 711059347 /nfs/dbraw/zinc/05/93/47/711059347.db2.gz MZSMSYPUVUYUDA-GOSISDBHSA-N 2 1 315.461 1.880 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000911900354 711059349 /nfs/dbraw/zinc/05/93/49/711059349.db2.gz MZSMSYPUVUYUDA-GOSISDBHSA-N 2 1 315.461 1.880 20 30 DDEDMP C=C(C)CNC(NC[C@H](C)CN1CC[NH+](C)CC1)=[NH+]C(C)(C)C ZINC000912499253 711353599 /nfs/dbraw/zinc/35/35/99/711353599.db2.gz OJHBWBFGWCJWNA-INIZCTEOSA-N 2 1 323.529 1.780 20 30 DDEDMP C=C(C)CNC(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)=[NH+]C(C)(C)C ZINC000912499603 711353651 /nfs/dbraw/zinc/35/36/51/711353651.db2.gz UZPSMRSFNUNGAN-LSDHHAIUSA-N 2 1 308.470 1.759 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000895056224 711390178 /nfs/dbraw/zinc/39/01/78/711390178.db2.gz DCGIASUQRLSXSE-UHFFFAOYSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CCN(C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000914077095 713339651 /nfs/dbraw/zinc/33/96/51/713339651.db2.gz WNZQHURZJMQFPZ-MRXNPFEDSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000963962017 717956087 /nfs/dbraw/zinc/95/60/87/717956087.db2.gz VVCDCAJEAWRULT-RFSHTEQGSA-N 2 1 315.461 1.511 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC1CC1)C2 ZINC000963962017 717956091 /nfs/dbraw/zinc/95/60/91/717956091.db2.gz VVCDCAJEAWRULT-RFSHTEQGSA-N 2 1 315.461 1.511 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000926241295 715034581 /nfs/dbraw/zinc/03/45/81/715034581.db2.gz CRXHYTUAHBTCTP-YFHUEUNASA-N 2 1 323.481 1.090 20 30 DDEDMP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]21 ZINC000958415457 716539822 /nfs/dbraw/zinc/53/98/22/716539822.db2.gz VIBDGMKSBCWDRZ-XDNAFOTISA-N 2 1 324.428 1.199 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3C#N)C[C@H]21 ZINC000958415457 716539827 /nfs/dbraw/zinc/53/98/27/716539827.db2.gz VIBDGMKSBCWDRZ-XDNAFOTISA-N 2 1 324.428 1.199 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000958415457 716539831 /nfs/dbraw/zinc/53/98/31/716539831.db2.gz VIBDGMKSBCWDRZ-XDNAFOTISA-N 2 1 324.428 1.199 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC000958415457 716539833 /nfs/dbraw/zinc/53/98/33/716539833.db2.gz VIBDGMKSBCWDRZ-XDNAFOTISA-N 2 1 324.428 1.199 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000940892472 717012100 /nfs/dbraw/zinc/01/21/00/717012100.db2.gz DLPWQELUQMQBTD-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892472 717012109 /nfs/dbraw/zinc/01/21/09/717012109.db2.gz DLPWQELUQMQBTD-OAHLLOKOSA-N 2 1 302.422 1.432 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C(C)(C)C1 ZINC000940892290 717012160 /nfs/dbraw/zinc/01/21/60/717012160.db2.gz BOTRMIXPMMOFNW-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892290 717012164 /nfs/dbraw/zinc/01/21/64/717012164.db2.gz BOTRMIXPMMOFNW-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940892290 717012169 /nfs/dbraw/zinc/01/21/69/717012169.db2.gz BOTRMIXPMMOFNW-OAHLLOKOSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942209092 717550461 /nfs/dbraw/zinc/55/04/61/717550461.db2.gz UBDBMFOLRZOUTP-DZGCQCFKSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000942209092 717550465 /nfs/dbraw/zinc/55/04/65/717550465.db2.gz UBDBMFOLRZOUTP-DZGCQCFKSA-N 2 1 320.437 1.753 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000962768220 717580236 /nfs/dbraw/zinc/58/02/36/717580236.db2.gz XDCGIWVBPUMNSV-LJISPDSOSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000962768220 717580240 /nfs/dbraw/zinc/58/02/40/717580240.db2.gz XDCGIWVBPUMNSV-LJISPDSOSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962768220 717580245 /nfs/dbraw/zinc/58/02/45/717580245.db2.gz XDCGIWVBPUMNSV-LJISPDSOSA-N 2 1 311.857 1.660 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1CC ZINC000962768220 717580249 /nfs/dbraw/zinc/58/02/49/717580249.db2.gz XDCGIWVBPUMNSV-LJISPDSOSA-N 2 1 311.857 1.660 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586751 718842863 /nfs/dbraw/zinc/84/28/63/718842863.db2.gz VARZRBJRJXGBSI-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586751 718842865 /nfs/dbraw/zinc/84/28/65/718842865.db2.gz VARZRBJRJXGBSI-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586751 718842867 /nfs/dbraw/zinc/84/28/67/718842867.db2.gz VARZRBJRJXGBSI-FGTMMUONSA-N 2 1 317.477 1.663 20 30 DDEDMP Cc1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C#N ZINC001164685060 719618630 /nfs/dbraw/zinc/61/86/30/719618630.db2.gz ZICDSKKLLZKXHQ-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP Cc1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C#N ZINC001164685060 719618641 /nfs/dbraw/zinc/61/86/41/719618641.db2.gz ZICDSKKLLZKXHQ-UHFFFAOYSA-N 2 1 324.432 1.933 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498247 719624620 /nfs/dbraw/zinc/62/46/20/719624620.db2.gz YPORXRSGNHWNOP-DOTOQJQBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000968498247 719624625 /nfs/dbraw/zinc/62/46/25/719624625.db2.gz YPORXRSGNHWNOP-DOTOQJQBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CCCF)CC[C@@H]2C)CC1 ZINC000968680488 719733121 /nfs/dbraw/zinc/73/31/21/719733121.db2.gz AATXAEMYKKSZDU-RDJZCZTQSA-N 2 1 323.456 1.518 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000950614240 720705035 /nfs/dbraw/zinc/70/50/35/720705035.db2.gz BWKSSABNYSVLDN-UHFFFAOYSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023553068 735307596 /nfs/dbraw/zinc/30/75/96/735307596.db2.gz UZYBFMZRDNHFSK-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023553068 735307599 /nfs/dbraw/zinc/30/75/99/735307599.db2.gz UZYBFMZRDNHFSK-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001023553068 735307604 /nfs/dbraw/zinc/30/76/04/735307604.db2.gz UZYBFMZRDNHFSK-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707019 735408626 /nfs/dbraw/zinc/40/86/26/735408626.db2.gz GWDHRHDWAVKMKQ-AWEZNQCLSA-N 2 1 302.422 1.775 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001023707019 735408628 /nfs/dbraw/zinc/40/86/28/735408628.db2.gz GWDHRHDWAVKMKQ-AWEZNQCLSA-N 2 1 302.422 1.775 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001039180716 733118111 /nfs/dbraw/zinc/11/81/11/733118111.db2.gz VKMNKSYOAPUJQA-KRWDZBQOSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001021631776 733386035 /nfs/dbraw/zinc/38/60/35/733386035.db2.gz ADNLBAKJSYNOOB-CRAIPNDOSA-N 2 1 322.412 1.894 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001023456080 735250076 /nfs/dbraw/zinc/25/00/76/735250076.db2.gz WFWGZIBBQNMQJV-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001023456080 735250080 /nfs/dbraw/zinc/25/00/80/735250080.db2.gz WFWGZIBBQNMQJV-IRXDYDNUSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254835 751360699 /nfs/dbraw/zinc/36/06/99/751360699.db2.gz SYTNNYHRVOXJLX-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1C)CC2 ZINC001035254835 751360704 /nfs/dbraw/zinc/36/07/04/751360704.db2.gz SYTNNYHRVOXJLX-UHFFFAOYSA-N 2 1 300.406 1.139 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001028018299 738939332 /nfs/dbraw/zinc/93/93/32/738939332.db2.gz QQRMWOUEYHWCBC-OAHLLOKOSA-N 2 1 311.389 1.648 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001020026477 736982458 /nfs/dbraw/zinc/98/24/58/736982458.db2.gz URAICTCSUMJWFD-HUBLWGQQSA-N 2 1 318.446 1.451 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001027504996 738356230 /nfs/dbraw/zinc/35/62/30/738356230.db2.gz IZFRCLZYPVZQOX-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001028333963 739369498 /nfs/dbraw/zinc/36/94/98/739369498.db2.gz TUDCRZVCOUWMIX-GOSISDBHSA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001035389815 751460279 /nfs/dbraw/zinc/46/02/79/751460279.db2.gz QVRQQYJINFFFGT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001035389815 751460282 /nfs/dbraw/zinc/46/02/82/751460282.db2.gz QVRQQYJINFFFGT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389815 751460283 /nfs/dbraw/zinc/46/02/83/751460283.db2.gz QVRQQYJINFFFGT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001035389815 751460285 /nfs/dbraw/zinc/46/02/85/751460285.db2.gz QVRQQYJINFFFGT-CVEARBPZSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766816 740010293 /nfs/dbraw/zinc/01/02/93/740010293.db2.gz DMURYCHLSHITST-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001028766816 740010294 /nfs/dbraw/zinc/01/02/94/740010294.db2.gz DMURYCHLSHITST-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCCF)C2)CC1 ZINC001029003505 740247902 /nfs/dbraw/zinc/24/79/02/740247902.db2.gz MRIQDDXVEUYLDZ-OAHLLOKOSA-N 2 1 309.429 1.129 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035537065 751582434 /nfs/dbraw/zinc/58/24/34/751582434.db2.gz LCMNHYYZBFKYPQ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035537065 751582438 /nfs/dbraw/zinc/58/24/38/751582438.db2.gz LCMNHYYZBFKYPQ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537065 751582442 /nfs/dbraw/zinc/58/24/42/751582442.db2.gz LCMNHYYZBFKYPQ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537065 751582447 /nfs/dbraw/zinc/58/24/47/751582447.db2.gz LCMNHYYZBFKYPQ-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001035537066 751582931 /nfs/dbraw/zinc/58/29/31/751582931.db2.gz LCMNHYYZBFKYPQ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001035537066 751582934 /nfs/dbraw/zinc/58/29/34/751582934.db2.gz LCMNHYYZBFKYPQ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537066 751582939 /nfs/dbraw/zinc/58/29/39/751582939.db2.gz LCMNHYYZBFKYPQ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001035537066 751582943 /nfs/dbraw/zinc/58/29/43/751582943.db2.gz LCMNHYYZBFKYPQ-IAGOWNOFSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]2C1 ZINC001087964489 740891493 /nfs/dbraw/zinc/89/14/93/740891493.db2.gz MLOXTCYBAADLBA-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964489 740891496 /nfs/dbraw/zinc/89/14/96/740891496.db2.gz MLOXTCYBAADLBA-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]2C1 ZINC001087964489 740891501 /nfs/dbraw/zinc/89/15/01/740891501.db2.gz MLOXTCYBAADLBA-IXDOHACOSA-N 2 1 303.450 1.273 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001088002716 740941486 /nfs/dbraw/zinc/94/14/86/740941486.db2.gz PVQDVZBNHUTBGC-IKGGRYGDSA-N 2 1 307.482 1.929 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125996 741047267 /nfs/dbraw/zinc/04/72/67/741047267.db2.gz JVRCYYFDYMDXCR-CVEARBPZSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@@H]2C1 ZINC001088125996 741047268 /nfs/dbraw/zinc/04/72/68/741047268.db2.gz JVRCYYFDYMDXCR-CVEARBPZSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001088327688 741391527 /nfs/dbraw/zinc/39/15/27/741391527.db2.gz UMAGZKMJCWWVOB-HOTGVXAUSA-N 2 1 314.433 1.755 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241467 741838703 /nfs/dbraw/zinc/83/87/03/741838703.db2.gz YAKFDHSCYOAXPN-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241467 741838707 /nfs/dbraw/zinc/83/87/07/741838707.db2.gz YAKFDHSCYOAXPN-INIZCTEOSA-N 2 1 323.481 1.549 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001088622038 742020573 /nfs/dbraw/zinc/02/05/73/742020573.db2.gz FMBOCELJFORVNL-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H]1C ZINC001088622038 742020576 /nfs/dbraw/zinc/02/05/76/742020576.db2.gz FMBOCELJFORVNL-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H]1C ZINC001088622038 742020579 /nfs/dbraw/zinc/02/05/79/742020579.db2.gz FMBOCELJFORVNL-BPQIPLTHSA-N 2 1 317.477 1.996 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CN(CC)CCO3)C2)C1 ZINC001040539882 742931244 /nfs/dbraw/zinc/93/12/44/742931244.db2.gz SDCHFNNCBKICPI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001040539882 742931247 /nfs/dbraw/zinc/93/12/47/742931247.db2.gz SDCHFNNCBKICPI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001040539882 742931254 /nfs/dbraw/zinc/93/12/54/742931254.db2.gz SDCHFNNCBKICPI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040539882 742931261 /nfs/dbraw/zinc/93/12/61/742931261.db2.gz SDCHFNNCBKICPI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001040539882 742931265 /nfs/dbraw/zinc/93/12/65/742931265.db2.gz SDCHFNNCBKICPI-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001016335522 743481582 /nfs/dbraw/zinc/48/15/82/743481582.db2.gz DJSGWLYVKMLFRE-ZBFHGGJFSA-N 2 1 309.429 1.270 20 30 DDEDMP C=CCC[NH2+]C[C@]1(C)CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001182629300 743676046 /nfs/dbraw/zinc/67/60/46/743676046.db2.gz BWDBTOBXJAVFHY-LZLYRXPVSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001185158672 744167360 /nfs/dbraw/zinc/16/73/60/744167360.db2.gz UNPHDUQBCCKGSQ-HRCADAONSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001185307851 744201848 /nfs/dbraw/zinc/20/18/48/744201848.db2.gz RTBGPYBWEMAULX-RDJZCZTQSA-N 2 1 316.449 1.679 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992262246 744733476 /nfs/dbraw/zinc/73/34/76/744733476.db2.gz RHHQFGQUEBFJRT-CRAIPNDOSA-N 2 1 314.433 1.753 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992262246 744733479 /nfs/dbraw/zinc/73/34/79/744733479.db2.gz RHHQFGQUEBFJRT-CRAIPNDOSA-N 2 1 314.433 1.753 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC000992432313 744873260 /nfs/dbraw/zinc/87/32/60/744873260.db2.gz QDTCPSPEFDBUDP-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC000992432313 744873263 /nfs/dbraw/zinc/87/32/63/744873263.db2.gz QDTCPSPEFDBUDP-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[C@H]3CC[N@@H+](C)C3)CCC[C@@H]12 ZINC000992432313 744873264 /nfs/dbraw/zinc/87/32/64/744873264.db2.gz QDTCPSPEFDBUDP-JFIYKMOQSA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001189787083 744981790 /nfs/dbraw/zinc/98/17/90/744981790.db2.gz NHYAGGBBLQMMJR-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787083 744981792 /nfs/dbraw/zinc/98/17/92/744981792.db2.gz NHYAGGBBLQMMJR-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001189787083 744981796 /nfs/dbraw/zinc/98/17/96/744981796.db2.gz NHYAGGBBLQMMJR-YESZJQIVSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001190947607 745379358 /nfs/dbraw/zinc/37/93/58/745379358.db2.gz RCSPLJQYVMTHBN-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001190947607 745379365 /nfs/dbraw/zinc/37/93/65/745379365.db2.gz RCSPLJQYVMTHBN-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001190947607 745379372 /nfs/dbraw/zinc/37/93/72/745379372.db2.gz RCSPLJQYVMTHBN-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCOCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001191143721 745443828 /nfs/dbraw/zinc/44/38/28/745443828.db2.gz FOMJQGCQPCICRX-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106244858 745452253 /nfs/dbraw/zinc/45/22/53/745452253.db2.gz WONCQNPFPPACKM-IXDOHACOSA-N 2 1 307.482 1.834 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001192434335 745781679 /nfs/dbraw/zinc/78/16/79/745781679.db2.gz CHRNQUGNAWSRRC-SJORKVTESA-N 2 1 321.465 1.043 20 30 DDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001193077943 745970207 /nfs/dbraw/zinc/97/02/07/745970207.db2.gz PAHVXOJNIBSHQK-INIZCTEOSA-N 2 1 323.481 1.596 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001193500503 746114539 /nfs/dbraw/zinc/11/45/39/746114539.db2.gz WBOPOIPOJYWMRG-AWEZNQCLSA-N 2 1 300.406 1.317 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193729287 746180241 /nfs/dbraw/zinc/18/02/41/746180241.db2.gz XFZAWWYMPHHGSP-BRWVUGGUSA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729287 746180244 /nfs/dbraw/zinc/18/02/44/746180244.db2.gz XFZAWWYMPHHGSP-BRWVUGGUSA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193729287 746180248 /nfs/dbraw/zinc/18/02/48/746180248.db2.gz XFZAWWYMPHHGSP-BRWVUGGUSA-N 2 1 323.481 1.092 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993535068 746201502 /nfs/dbraw/zinc/20/15/02/746201502.db2.gz SKHYOWISWQPEGE-YOEHRIQHSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993535068 746201505 /nfs/dbraw/zinc/20/15/05/746201505.db2.gz SKHYOWISWQPEGE-YOEHRIQHSA-N 2 1 310.401 1.859 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275291 746315105 /nfs/dbraw/zinc/31/51/05/746315105.db2.gz RAKFDPAWBNYTHI-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP CC#CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203175235 746848981 /nfs/dbraw/zinc/84/89/81/746848981.db2.gz BTBGEXKOZAUXEG-CABCVRRESA-N 2 1 300.406 1.232 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001196631916 746918704 /nfs/dbraw/zinc/91/87/04/746918704.db2.gz QOERREGJXODVEN-BRWVUGGUSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001197149651 747085556 /nfs/dbraw/zinc/08/55/56/747085556.db2.gz FACZGRDXQZYSKC-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197149651 747085563 /nfs/dbraw/zinc/08/55/63/747085563.db2.gz FACZGRDXQZYSKC-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001197149651 747085570 /nfs/dbraw/zinc/08/55/70/747085570.db2.gz FACZGRDXQZYSKC-MRXNPFEDSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197156678 747088839 /nfs/dbraw/zinc/08/88/39/747088839.db2.gz WUIYAXXXRUIPMF-BRWVUGGUSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001197156678 747088850 /nfs/dbraw/zinc/08/88/50/747088850.db2.gz WUIYAXXXRUIPMF-BRWVUGGUSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001003516110 747262005 /nfs/dbraw/zinc/26/20/05/747262005.db2.gz NLAVJVDDPBOCJQ-OAHLLOKOSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197947953 747318729 /nfs/dbraw/zinc/31/87/29/747318729.db2.gz ARPKREBTFILALV-ARFHVFGLSA-N 2 1 311.470 1.234 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031673606 747363692 /nfs/dbraw/zinc/36/36/92/747363692.db2.gz PTYIBQWXJYEJOX-MRXNPFEDSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001031673606 747363696 /nfs/dbraw/zinc/36/36/96/747363696.db2.gz PTYIBQWXJYEJOX-MRXNPFEDSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001003776635 747473619 /nfs/dbraw/zinc/47/36/19/747473619.db2.gz XWBNPFJRDBVXST-IAGOWNOFSA-N 2 1 303.450 1.607 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CCCO1 ZINC001200124099 748141862 /nfs/dbraw/zinc/14/18/62/748141862.db2.gz XWCAFHYSOHBOMI-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cccc(C#N)c2)CC[N@H+]1C ZINC001127690674 748192998 /nfs/dbraw/zinc/19/29/98/748192998.db2.gz PJOQILFZYAKLBQ-DLBZAZTESA-N 2 1 314.433 1.494 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634598 748297909 /nfs/dbraw/zinc/29/79/09/748297909.db2.gz HCBCUWTTWLTBIY-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200721207 748328766 /nfs/dbraw/zinc/32/87/66/748328766.db2.gz JCOOEIDKPNMKAS-IRXDYDNUSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCO1 ZINC001200864926 748364279 /nfs/dbraw/zinc/36/42/79/748364279.db2.gz GTYSFDDYJFMGKK-DLBZAZTESA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001201094356 748409395 /nfs/dbraw/zinc/40/93/95/748409395.db2.gz RGELGZYGXZETKA-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCC(C)C)CC1 ZINC001201094356 748409397 /nfs/dbraw/zinc/40/93/97/748409397.db2.gz RGELGZYGXZETKA-KRWDZBQOSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033143859 748534953 /nfs/dbraw/zinc/53/49/53/748534953.db2.gz MWFBDIHQZZTCTD-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033143859 748534960 /nfs/dbraw/zinc/53/49/60/748534960.db2.gz MWFBDIHQZZTCTD-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033143859 748534967 /nfs/dbraw/zinc/53/49/67/748534967.db2.gz MWFBDIHQZZTCTD-SJORKVTESA-N 2 1 305.466 1.520 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153516 748648276 /nfs/dbraw/zinc/64/82/76/748648276.db2.gz VVBYJKZBZSJGQR-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001033153516 748648279 /nfs/dbraw/zinc/64/82/79/748648279.db2.gz VVBYJKZBZSJGQR-LSDHHAIUSA-N 2 1 302.422 1.869 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147797 748696351 /nfs/dbraw/zinc/69/63/51/748696351.db2.gz JXMHQAJHLNPRFJ-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CC(CNC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001032219017 749007962 /nfs/dbraw/zinc/00/79/62/749007962.db2.gz JFKKADLZISMFRH-UHFFFAOYSA-N 2 1 303.406 1.416 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnc3c2CCCC3)C1 ZINC001033269757 749098720 /nfs/dbraw/zinc/09/87/20/749098720.db2.gz VOKMSDPQVHGISJ-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269757 749098725 /nfs/dbraw/zinc/09/87/25/749098725.db2.gz VOKMSDPQVHGISJ-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001033269757 749098729 /nfs/dbraw/zinc/09/87/29/749098729.db2.gz VOKMSDPQVHGISJ-OAHLLOKOSA-N 2 1 316.449 1.871 20 30 DDEDMP C#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1(C)C ZINC000995915697 749296959 /nfs/dbraw/zinc/29/69/59/749296959.db2.gz GHVOATXIRKNYTF-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001033684615 749714890 /nfs/dbraw/zinc/71/48/90/749714890.db2.gz OZVNFVMHIHINAI-WMZOPIPTSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001005392126 749961079 /nfs/dbraw/zinc/96/10/79/749961079.db2.gz WVVNNTADOXSZHX-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877252 750015474 /nfs/dbraw/zinc/01/54/74/750015474.db2.gz HTNHBNGPFHWLMW-INIZCTEOSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033877252 750015482 /nfs/dbraw/zinc/01/54/82/750015482.db2.gz HTNHBNGPFHWLMW-INIZCTEOSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932677 750138471 /nfs/dbraw/zinc/13/84/71/750138471.db2.gz RCNOXUOXZDCAAV-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001033932677 750138476 /nfs/dbraw/zinc/13/84/76/750138476.db2.gz RCNOXUOXZDCAAV-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001033932677 750138482 /nfs/dbraw/zinc/13/84/82/750138482.db2.gz RCNOXUOXZDCAAV-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001033932677 750138485 /nfs/dbraw/zinc/13/84/85/750138485.db2.gz RCNOXUOXZDCAAV-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001034045865 750312821 /nfs/dbraw/zinc/31/28/21/750312821.db2.gz OADHEAJOZCYBNX-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001107942490 750752074 /nfs/dbraw/zinc/75/20/74/750752074.db2.gz UBGNQKPBAROKCQ-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001107942490 750752078 /nfs/dbraw/zinc/75/20/78/750752078.db2.gz UBGNQKPBAROKCQ-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942490 750752083 /nfs/dbraw/zinc/75/20/83/750752083.db2.gz UBGNQKPBAROKCQ-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001107942490 750752087 /nfs/dbraw/zinc/75/20/87/750752087.db2.gz UBGNQKPBAROKCQ-SJLPKXTDSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001107948921 750818277 /nfs/dbraw/zinc/81/82/77/750818277.db2.gz BHARPVXYINFTRR-WMZOPIPTSA-N 2 1 321.465 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418320 762111948 /nfs/dbraw/zinc/11/19/48/762111948.db2.gz TYTTUIJQRYHFKB-GOSISDBHSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@H+]1CCO[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001108418320 762111951 /nfs/dbraw/zinc/11/19/51/762111951.db2.gz TYTTUIJQRYHFKB-GOSISDBHSA-N 2 1 323.481 1.646 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001007990625 752486177 /nfs/dbraw/zinc/48/61/77/752486177.db2.gz OUAIPZVZUUUYQC-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001007990625 752486182 /nfs/dbraw/zinc/48/61/82/752486182.db2.gz OUAIPZVZUUUYQC-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001007990625 752486187 /nfs/dbraw/zinc/48/61/87/752486187.db2.gz OUAIPZVZUUUYQC-BNQMIIOLSA-N 2 1 319.449 1.006 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC000999556506 752993104 /nfs/dbraw/zinc/99/31/04/752993104.db2.gz MAUCPWGNSKWXPY-OAHLLOKOSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH2+]C1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000999611407 753043282 /nfs/dbraw/zinc/04/32/82/753043282.db2.gz CDMILFILWVEYSZ-UHFFFAOYSA-N 2 1 309.373 1.093 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001000547305 753802754 /nfs/dbraw/zinc/80/27/54/753802754.db2.gz LSSBEOFYVRHGGY-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)CC[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001000547305 753802760 /nfs/dbraw/zinc/80/27/60/753802760.db2.gz LSSBEOFYVRHGGY-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000547305 753802768 /nfs/dbraw/zinc/80/27/68/753802768.db2.gz LSSBEOFYVRHGGY-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001000547305 753802775 /nfs/dbraw/zinc/80/27/75/753802775.db2.gz LSSBEOFYVRHGGY-INIZCTEOSA-N 2 1 307.438 1.032 20 30 DDEDMP CC#CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001115630320 754068583 /nfs/dbraw/zinc/06/85/83/754068583.db2.gz KUYILCPNWUXMJU-UHFFFAOYSA-N 2 1 302.422 1.624 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001032803485 754117400 /nfs/dbraw/zinc/11/74/00/754117400.db2.gz BFPZFCKASUHTNW-YESZJQIVSA-N 2 1 305.466 1.968 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C12CCC2 ZINC001078726212 754321616 /nfs/dbraw/zinc/32/16/16/754321616.db2.gz RJRUCGNPKREIGV-HUUCEWRRSA-N 2 1 303.450 1.369 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001080310855 755843112 /nfs/dbraw/zinc/84/31/12/755843112.db2.gz HDEHMPBVPGUOMS-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001080310855 755843114 /nfs/dbraw/zinc/84/31/14/755843114.db2.gz HDEHMPBVPGUOMS-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001080310855 755843117 /nfs/dbraw/zinc/84/31/17/755843117.db2.gz HDEHMPBVPGUOMS-IXDOHACOSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711623 755902524 /nfs/dbraw/zinc/90/25/24/755902524.db2.gz OYENVRKUTCJACF-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711623 755902529 /nfs/dbraw/zinc/90/25/29/755902529.db2.gz OYENVRKUTCJACF-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711623 755902532 /nfs/dbraw/zinc/90/25/32/755902532.db2.gz OYENVRKUTCJACF-DOTOQJQBSA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015712701 756488019 /nfs/dbraw/zinc/48/80/19/756488019.db2.gz HBORCUSDMDDKHL-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001015712701 756488022 /nfs/dbraw/zinc/48/80/22/756488022.db2.gz HBORCUSDMDDKHL-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082381871 756761486 /nfs/dbraw/zinc/76/14/86/756761486.db2.gz DMHUFKNKZBCXDS-IAGOWNOFSA-N 2 1 317.433 1.363 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](OC)C1 ZINC001082381871 756761489 /nfs/dbraw/zinc/76/14/89/756761489.db2.gz DMHUFKNKZBCXDS-IAGOWNOFSA-N 2 1 317.433 1.363 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001016331461 756931888 /nfs/dbraw/zinc/93/18/88/756931888.db2.gz ZPFJGBWYYQSCIW-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393781 757022274 /nfs/dbraw/zinc/02/22/74/757022274.db2.gz QAZXYTNWJTXXPV-HOTGVXAUSA-N 2 1 321.465 1.132 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001040492484 762560090 /nfs/dbraw/zinc/56/00/90/762560090.db2.gz BPYLIQCHHRZNRC-GOSISDBHSA-N 2 1 317.477 1.973 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001017621087 758091012 /nfs/dbraw/zinc/09/10/12/758091012.db2.gz ULUAQAMAIBZDFS-IXDOHACOSA-N 2 1 305.466 1.968 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001018180531 758607837 /nfs/dbraw/zinc/60/78/37/758607837.db2.gz XOHJURPLYPJUEJ-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001018180531 758607830 /nfs/dbraw/zinc/60/78/30/758607830.db2.gz XOHJURPLYPJUEJ-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001018180531 758607844 /nfs/dbraw/zinc/60/78/44/758607844.db2.gz XOHJURPLYPJUEJ-YESZJQIVSA-N 2 1 305.466 1.970 20 30 DDEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001018635087 759055010 /nfs/dbraw/zinc/05/50/10/759055010.db2.gz NAMJNCVKPJBBBI-IRXDYDNUSA-N 2 1 312.417 1.343 20 30 DDEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001054061395 759115399 /nfs/dbraw/zinc/11/53/99/759115399.db2.gz YUPVABPSKWQLGQ-MSOLQXFVSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001054061395 759115404 /nfs/dbraw/zinc/11/54/04/759115404.db2.gz YUPVABPSKWQLGQ-MSOLQXFVSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061395 759115409 /nfs/dbraw/zinc/11/54/09/759115409.db2.gz YUPVABPSKWQLGQ-MSOLQXFVSA-N 2 1 313.445 1.667 20 30 DDEDMP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001054061395 759115412 /nfs/dbraw/zinc/11/54/12/759115412.db2.gz YUPVABPSKWQLGQ-MSOLQXFVSA-N 2 1 313.445 1.667 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001054144603 759222961 /nfs/dbraw/zinc/22/29/61/759222961.db2.gz ALAQXYOQKMPZKP-IEBWSBKVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C13CC[NH+](CC1)C3)C2 ZINC001054229542 759320087 /nfs/dbraw/zinc/32/00/87/759320087.db2.gz YEHIEKISNDEUHR-GOSISDBHSA-N 2 1 317.477 1.973 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC001085987265 760658379 /nfs/dbraw/zinc/65/83/79/760658379.db2.gz YBSRQGMDGWOMSX-KRWDZBQOSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001038703892 761304591 /nfs/dbraw/zinc/30/45/91/761304591.db2.gz KWCHGVABOQVRAD-GOSISDBHSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001039116159 761753296 /nfs/dbraw/zinc/75/32/96/761753296.db2.gz MKTZUOGAIMLXOO-DLBZAZTESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[NH+]1CC[C@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001039116159 761753300 /nfs/dbraw/zinc/75/33/00/761753300.db2.gz MKTZUOGAIMLXOO-DLBZAZTESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039116159 761753304 /nfs/dbraw/zinc/75/33/04/761753304.db2.gz MKTZUOGAIMLXOO-DLBZAZTESA-N 2 1 321.465 1.064 20 30 DDEDMP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001039116159 761753310 /nfs/dbraw/zinc/75/33/10/761753310.db2.gz MKTZUOGAIMLXOO-DLBZAZTESA-N 2 1 321.465 1.064 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039243301 761881207 /nfs/dbraw/zinc/88/12/07/761881207.db2.gz UINJIEVKBQDLTK-MSOLQXFVSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001039242830 761881778 /nfs/dbraw/zinc/88/17/78/761881778.db2.gz RKXWDGPUCOOYRA-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041342631 762967038 /nfs/dbraw/zinc/96/70/38/762967038.db2.gz FJXYSLVPGKUXHM-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342631 762967042 /nfs/dbraw/zinc/96/70/42/762967042.db2.gz FJXYSLVPGKUXHM-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001041342631 762967047 /nfs/dbraw/zinc/96/70/47/762967047.db2.gz FJXYSLVPGKUXHM-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050140181 763202297 /nfs/dbraw/zinc/20/22/97/763202297.db2.gz JOQJRTHRXHCFMQ-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050140181 763202306 /nfs/dbraw/zinc/20/23/06/763202306.db2.gz JOQJRTHRXHCFMQ-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001050140181 763202312 /nfs/dbraw/zinc/20/23/12/763202312.db2.gz JOQJRTHRXHCFMQ-YESZJQIVSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001050158984 763237848 /nfs/dbraw/zinc/23/78/48/763237848.db2.gz DJEACGSRKRJMEA-DLBZAZTESA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041790924 763337215 /nfs/dbraw/zinc/33/72/15/763337215.db2.gz CBQSONOYDWSBSM-SFHVURJKSA-N 2 1 312.417 1.319 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)C1 ZINC001041790924 763337222 /nfs/dbraw/zinc/33/72/22/763337222.db2.gz CBQSONOYDWSBSM-SFHVURJKSA-N 2 1 312.417 1.319 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837365 763392914 /nfs/dbraw/zinc/39/29/14/763392914.db2.gz GEVYEUICPUZVDX-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837365 763392919 /nfs/dbraw/zinc/39/29/19/763392919.db2.gz GEVYEUICPUZVDX-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837365 763392925 /nfs/dbraw/zinc/39/29/25/763392925.db2.gz GEVYEUICPUZVDX-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837365 763392931 /nfs/dbraw/zinc/39/29/31/763392931.db2.gz GEVYEUICPUZVDX-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001042292112 763868261 /nfs/dbraw/zinc/86/82/61/763868261.db2.gz MJCKQXMKUIIZRK-RDJZCZTQSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001042297784 763880032 /nfs/dbraw/zinc/88/00/32/763880032.db2.gz VKGAENVZSJTYGO-WMZOPIPTSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050726798 763966311 /nfs/dbraw/zinc/96/63/11/763966311.db2.gz DHOFFACKFXPHDW-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001112964521 765052057 /nfs/dbraw/zinc/05/20/57/765052057.db2.gz ZSLUWDJPFZGCDS-QGZVFWFLSA-N 2 1 323.481 1.311 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001112964521 765052062 /nfs/dbraw/zinc/05/20/62/765052062.db2.gz ZSLUWDJPFZGCDS-QGZVFWFLSA-N 2 1 323.481 1.311 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001112977341 765077837 /nfs/dbraw/zinc/07/78/37/765077837.db2.gz YOUUYJOHKQXIGO-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001112977341 765077847 /nfs/dbraw/zinc/07/78/47/765077847.db2.gz YOUUYJOHKQXIGO-ROUUACIJSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704733 768273650 /nfs/dbraw/zinc/27/36/50/768273650.db2.gz ZVOUEAZSQUOOSH-SJLPKXTDSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704733 768273654 /nfs/dbraw/zinc/27/36/54/768273654.db2.gz ZVOUEAZSQUOOSH-SJLPKXTDSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704733 768273658 /nfs/dbraw/zinc/27/36/58/768273658.db2.gz ZVOUEAZSQUOOSH-SJLPKXTDSA-N 2 1 321.465 1.042 20 30 DDEDMP C=CCCC[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001113348279 765600369 /nfs/dbraw/zinc/60/03/69/765600369.db2.gz GXLXGQLGFRSHII-MRXNPFEDSA-N 2 1 316.449 1.864 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001052438485 765827473 /nfs/dbraw/zinc/82/74/73/765827473.db2.gz UDDSPIZGIHDCKZ-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052438485 765827482 /nfs/dbraw/zinc/82/74/82/765827482.db2.gz UDDSPIZGIHDCKZ-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC001052438485 765827490 /nfs/dbraw/zinc/82/74/90/765827490.db2.gz UDDSPIZGIHDCKZ-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001052487934 765878053 /nfs/dbraw/zinc/87/80/53/765878053.db2.gz FGLOLGYCXHNWKN-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001052487934 765878061 /nfs/dbraw/zinc/87/80/61/765878061.db2.gz FGLOLGYCXHNWKN-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052487934 765878069 /nfs/dbraw/zinc/87/80/69/765878069.db2.gz FGLOLGYCXHNWKN-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001052487934 765878077 /nfs/dbraw/zinc/87/80/77/765878077.db2.gz FGLOLGYCXHNWKN-OWCLPIDISA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001096022571 766268782 /nfs/dbraw/zinc/26/87/82/766268782.db2.gz YLTPPQCJVHUAOI-PMPSAXMXSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022571 766268784 /nfs/dbraw/zinc/26/87/84/766268784.db2.gz YLTPPQCJVHUAOI-PMPSAXMXSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001096022571 766268790 /nfs/dbraw/zinc/26/87/90/766268790.db2.gz YLTPPQCJVHUAOI-PMPSAXMXSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001045444367 766310606 /nfs/dbraw/zinc/31/06/06/766310606.db2.gz LFCFXKYGCOLGPK-GJZGRUSLSA-N 2 1 307.438 1.006 20 30 DDEDMP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001045461071 766322633 /nfs/dbraw/zinc/32/26/33/766322633.db2.gz OGPWDDFLHYOJOV-KRWDZBQOSA-N 2 1 319.493 1.958 20 30 DDEDMP C=CCCCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114042126 766574662 /nfs/dbraw/zinc/57/46/62/766574662.db2.gz WWFVREAJAZLSAM-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114042126 766574667 /nfs/dbraw/zinc/57/46/67/766574667.db2.gz WWFVREAJAZLSAM-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114042126 766574672 /nfs/dbraw/zinc/57/46/72/766574672.db2.gz WWFVREAJAZLSAM-VVLHAWIVSA-N 2 1 305.466 1.873 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001114263309 766834045 /nfs/dbraw/zinc/83/40/45/766834045.db2.gz SRDJJBIKIJRLLJ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114263309 766834050 /nfs/dbraw/zinc/83/40/50/766834050.db2.gz SRDJJBIKIJRLLJ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001114263309 766834060 /nfs/dbraw/zinc/83/40/60/766834060.db2.gz SRDJJBIKIJRLLJ-VVLHAWIVSA-N 2 1 305.466 1.872 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304581 766867537 /nfs/dbraw/zinc/86/75/37/766867537.db2.gz UKAOWEKQEMHSNC-WVZRYYJFSA-N 2 1 302.422 1.629 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304581 766867548 /nfs/dbraw/zinc/86/75/48/766867548.db2.gz UKAOWEKQEMHSNC-WVZRYYJFSA-N 2 1 302.422 1.629 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046436791 767567227 /nfs/dbraw/zinc/56/72/27/767567227.db2.gz SIEDKBRUYBSOLR-SFHVURJKSA-N 2 1 310.401 1.860 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210889 768676975 /nfs/dbraw/zinc/67/69/75/768676975.db2.gz KRDRWJCWZYYTLZ-JKSUJKDBSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[C@H]1C ZINC001132525680 768946009 /nfs/dbraw/zinc/94/60/09/768946009.db2.gz UJIZIUPVFCFQIO-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001098137383 769459686 /nfs/dbraw/zinc/45/96/86/769459686.db2.gz CAYWYWFCIWENTB-KURKYZTESA-N 2 1 317.477 1.852 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2C1 ZINC001048976553 770198724 /nfs/dbraw/zinc/19/87/24/770198724.db2.gz OVLAPGUFITWFGB-IYBDPMFKSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1ncc[nH]1 ZINC001049446066 770845095 /nfs/dbraw/zinc/84/50/95/770845095.db2.gz GRHVNUHMXOLCJB-CABCVRRESA-N 2 1 300.406 1.431 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001049764087 771142669 /nfs/dbraw/zinc/14/26/69/771142669.db2.gz BRQLUBRVIYRNIB-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791460 771160705 /nfs/dbraw/zinc/16/07/05/771160705.db2.gz VFBYPRHYCIQLPC-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049791460 771160708 /nfs/dbraw/zinc/16/07/08/771160708.db2.gz VFBYPRHYCIQLPC-IAGOWNOFSA-N 2 1 321.465 1.350 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001049919770 771261084 /nfs/dbraw/zinc/26/10/84/771261084.db2.gz PNKDDXUVIPAPCV-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919770 771261088 /nfs/dbraw/zinc/26/10/88/771261088.db2.gz PNKDDXUVIPAPCV-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001049919770 771261093 /nfs/dbraw/zinc/26/10/93/771261093.db2.gz PNKDDXUVIPAPCV-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)CC1 ZINC001096605640 771284922 /nfs/dbraw/zinc/28/49/22/771284922.db2.gz XXGNKKVYCHEFAT-SQNIBIBYSA-N 2 1 317.477 1.709 20 30 DDEDMP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCOCC1 ZINC001135678793 771645726 /nfs/dbraw/zinc/64/57/26/771645726.db2.gz ININAMLYDVEUCI-HOTGVXAUSA-N 2 1 311.470 1.548 20 30 DDEDMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001086787200 771729166 /nfs/dbraw/zinc/72/91/66/771729166.db2.gz HVUUYCBCZMMMQS-ARFHVFGLSA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(Cl)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001091201489 772612067 /nfs/dbraw/zinc/61/20/67/772612067.db2.gz VBXGXYTVGRVLQA-LQULJDIASA-N 2 1 313.873 1.954 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001073627039 773234951 /nfs/dbraw/zinc/23/49/51/773234951.db2.gz AMFKNGBYCFICRD-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627039 773234956 /nfs/dbraw/zinc/23/49/56/773234956.db2.gz AMFKNGBYCFICRD-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001073627039 773234961 /nfs/dbraw/zinc/23/49/61/773234961.db2.gz AMFKNGBYCFICRD-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCC)CCCO1 ZINC001073639688 773254912 /nfs/dbraw/zinc/25/49/12/773254912.db2.gz JMFMTDDYNPAUEH-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCC)CCCO1 ZINC001073639688 773254915 /nfs/dbraw/zinc/25/49/15/773254915.db2.gz JMFMTDDYNPAUEH-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC)CCCO1 ZINC001073639688 773254917 /nfs/dbraw/zinc/25/49/17/773254917.db2.gz JMFMTDDYNPAUEH-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCC)CCCO1 ZINC001073639688 773254920 /nfs/dbraw/zinc/25/49/20/773254920.db2.gz JMFMTDDYNPAUEH-SJORKVTESA-N 2 1 321.465 1.091 20 30 DDEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cccc(C#N)c2)C1 ZINC001147877650 773282208 /nfs/dbraw/zinc/28/22/08/773282208.db2.gz NTXJAYXOYYBXLG-INIZCTEOSA-N 2 1 300.406 1.106 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCCNCc1cc(F)ccc1C#N ZINC001148570391 773527486 /nfs/dbraw/zinc/52/74/86/773527486.db2.gz CLMZPZIBJRUMPC-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001148570391 773527490 /nfs/dbraw/zinc/52/74/90/773527490.db2.gz CLMZPZIBJRUMPC-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001148570391 773527491 /nfs/dbraw/zinc/52/74/91/773527491.db2.gz CLMZPZIBJRUMPC-UHFFFAOYSA-N 2 1 320.412 1.635 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740665 773556301 /nfs/dbraw/zinc/55/63/01/773556301.db2.gz BFWHJOBVEDROMS-QAPCUYQASA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740665 773556305 /nfs/dbraw/zinc/55/63/05/773556305.db2.gz BFWHJOBVEDROMS-QAPCUYQASA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001091740665 773556309 /nfs/dbraw/zinc/55/63/09/773556309.db2.gz BFWHJOBVEDROMS-QAPCUYQASA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091754745 773630190 /nfs/dbraw/zinc/63/01/90/773630190.db2.gz YKDPRNZULBPVBA-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754745 773630194 /nfs/dbraw/zinc/63/01/94/773630194.db2.gz YKDPRNZULBPVBA-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091754745 773630196 /nfs/dbraw/zinc/63/01/96/773630196.db2.gz YKDPRNZULBPVBA-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956281 773744226 /nfs/dbraw/zinc/74/42/26/773744226.db2.gz JKYMXQPYGAXRPS-CVEARBPZSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091787702 773805695 /nfs/dbraw/zinc/80/56/95/773805695.db2.gz JNWLWLOEYQZWBS-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787702 773805701 /nfs/dbraw/zinc/80/57/01/773805701.db2.gz JNWLWLOEYQZWBS-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787702 773805706 /nfs/dbraw/zinc/80/57/06/773805706.db2.gz JNWLWLOEYQZWBS-RYRKJORJSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091787743 773805878 /nfs/dbraw/zinc/80/58/78/773805878.db2.gz LTCSGFRNVMNENQ-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787743 773805884 /nfs/dbraw/zinc/80/58/84/773805884.db2.gz LTCSGFRNVMNENQ-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C)C[C@]2(C)C1 ZINC001091787743 773805888 /nfs/dbraw/zinc/80/58/88/773805888.db2.gz LTCSGFRNVMNENQ-RYRKJORJSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001092773144 774269033 /nfs/dbraw/zinc/26/90/33/774269033.db2.gz KLEYYAYOBQVYPB-HZPDHXFCSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001098479169 774591174 /nfs/dbraw/zinc/59/11/74/774591174.db2.gz VBHUYNJCLIELCG-RDJZCZTQSA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479169 774591177 /nfs/dbraw/zinc/59/11/77/774591177.db2.gz VBHUYNJCLIELCG-RDJZCZTQSA-N 2 1 323.481 1.046 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC001098479169 774591182 /nfs/dbraw/zinc/59/11/82/774591182.db2.gz VBHUYNJCLIELCG-RDJZCZTQSA-N 2 1 323.481 1.046 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001036793564 774642972 /nfs/dbraw/zinc/64/29/72/774642972.db2.gz HFIRTLMOTITKSJ-IAGOWNOFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058826 774801853 /nfs/dbraw/zinc/80/18/53/774801853.db2.gz MLHFIWZIGGRWKL-YJBOKZPZSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001099058826 774801863 /nfs/dbraw/zinc/80/18/63/774801863.db2.gz MLHFIWZIGGRWKL-YJBOKZPZSA-N 2 1 314.433 1.610 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001099106550 774837951 /nfs/dbraw/zinc/83/79/51/774837951.db2.gz IROKXZKMFGUKOH-JKSUJKDBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001099122020 774851112 /nfs/dbraw/zinc/85/11/12/774851112.db2.gz MNOJPEPUGSJECP-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099122020 774851120 /nfs/dbraw/zinc/85/11/20/774851120.db2.gz MNOJPEPUGSJECP-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001099122020 774851130 /nfs/dbraw/zinc/85/11/30/774851130.db2.gz MNOJPEPUGSJECP-BQFCYCMXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC[NH+](C)C ZINC001099519216 775014204 /nfs/dbraw/zinc/01/42/04/775014204.db2.gz GNOIOXKEOUVNIM-NXOAAHMSSA-N 2 1 303.450 1.130 20 30 DDEDMP C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001094417215 775846078 /nfs/dbraw/zinc/84/60/78/775846078.db2.gz NJSWYIYCGDDOOG-ZHALLVOQSA-N 2 1 317.477 1.875 20 30 DDEDMP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172495658 776800615 /nfs/dbraw/zinc/80/06/15/776800615.db2.gz GYORLKPDNIYTAI-OAHLLOKOSA-N 2 1 306.454 1.745 20 30 DDEDMP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H](C)CCCC#N)CC2 ZINC001172495658 776800624 /nfs/dbraw/zinc/80/06/24/776800624.db2.gz GYORLKPDNIYTAI-OAHLLOKOSA-N 2 1 306.454 1.745 20 30 DDEDMP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccccc1C#N ZINC001176133386 778038455 /nfs/dbraw/zinc/03/84/55/778038455.db2.gz PFHFCPXCQSAFKU-UHFFFAOYSA-N 2 1 311.389 1.359 20 30 DDEDMP C=CCOCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176564778 778184181 /nfs/dbraw/zinc/18/41/81/778184181.db2.gz RIKWGOVNBRRQKJ-JKSUJKDBSA-N 2 1 311.470 1.405 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601513 778233666 /nfs/dbraw/zinc/23/36/66/778233666.db2.gz GSTROYAEWTXIFG-KURKYZTESA-N 2 1 319.493 1.814 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(C#N)s1 ZINC001176971765 778357779 /nfs/dbraw/zinc/35/77/79/778357779.db2.gz HVWXSJFFIGOOAZ-UHFFFAOYSA-N 2 1 308.451 1.556 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643918 778976717 /nfs/dbraw/zinc/97/67/17/778976717.db2.gz WXCQRYSEFXPFFD-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103643918 778976723 /nfs/dbraw/zinc/97/67/23/778976723.db2.gz WXCQRYSEFXPFFD-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103643918 778976728 /nfs/dbraw/zinc/97/67/28/778976728.db2.gz WXCQRYSEFXPFFD-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001103756907 779033445 /nfs/dbraw/zinc/03/34/45/779033445.db2.gz FUWOEWXZSHSCFA-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103756907 779033454 /nfs/dbraw/zinc/03/34/54/779033454.db2.gz FUWOEWXZSHSCFA-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103756907 779033458 /nfs/dbraw/zinc/03/34/58/779033458.db2.gz FUWOEWXZSHSCFA-KURKYZTESA-N 2 1 319.493 1.958 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178536235 779083818 /nfs/dbraw/zinc/08/38/18/779083818.db2.gz RSCOGAOJHQDTSJ-HOTGVXAUSA-N 2 1 309.454 1.302 20 30 DDEDMP COCC#CC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178827033 779189630 /nfs/dbraw/zinc/18/96/30/779189630.db2.gz CPJNHLQVZIWDED-KRWDZBQOSA-N 2 1 323.481 1.387 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111869075 779529149 /nfs/dbraw/zinc/52/91/49/779529149.db2.gz WNRWXZZOPYAMJE-BQFCYCMXSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(Cl)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180260272 779681837 /nfs/dbraw/zinc/68/18/37/779681837.db2.gz WCRHLWFTEVXZSN-AWEZNQCLSA-N 2 1 301.862 1.957 20 30 DDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001112350062 779732436 /nfs/dbraw/zinc/73/24/36/779732436.db2.gz GFQFDUFSLVQOIU-SCTDSRPQSA-N 2 1 317.477 1.711 20 30 DDEDMP CC#CC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266440616 836255444 /nfs/dbraw/zinc/25/54/44/836255444.db2.gz ZWEXXEJREQUQSR-KRWDZBQOSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266453085 836279342 /nfs/dbraw/zinc/27/93/42/836279342.db2.gz XMPBTBDICLCQQS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266453085 836279352 /nfs/dbraw/zinc/27/93/52/836279352.db2.gz XMPBTBDICLCQQS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266453085 836279361 /nfs/dbraw/zinc/27/93/61/836279361.db2.gz XMPBTBDICLCQQS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266453085 836279370 /nfs/dbraw/zinc/27/93/70/836279370.db2.gz XMPBTBDICLCQQS-HZPDHXFCSA-N 2 1 309.454 1.064 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266473932 836315411 /nfs/dbraw/zinc/31/54/11/836315411.db2.gz DIRRLYQNPUCZJZ-INIZCTEOSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266473933 836316062 /nfs/dbraw/zinc/31/60/62/836316062.db2.gz DIRRLYQNPUCZJZ-MRXNPFEDSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001266556834 836463921 /nfs/dbraw/zinc/46/39/21/836463921.db2.gz APPQUWKFHDXREV-HNNXBMFYSA-N 2 1 309.373 1.095 20 30 DDEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC001267357964 837903724 /nfs/dbraw/zinc/90/37/24/837903724.db2.gz VDUOBTHOKYHELO-IAGOWNOFSA-N 2 1 317.433 1.340 20 30 DDEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC001267357964 837903737 /nfs/dbraw/zinc/90/37/37/837903737.db2.gz VDUOBTHOKYHELO-IAGOWNOFSA-N 2 1 317.433 1.340 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267531744 838259128 /nfs/dbraw/zinc/25/91/28/838259128.db2.gz XZDGBAYMRDYKNY-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267531744 838259136 /nfs/dbraw/zinc/25/91/36/838259136.db2.gz XZDGBAYMRDYKNY-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001267531744 838259142 /nfs/dbraw/zinc/25/91/42/838259142.db2.gz XZDGBAYMRDYKNY-SJORKVTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267559096 838306156 /nfs/dbraw/zinc/30/61/56/838306156.db2.gz NIXFXDKHGQWJSC-DOTOQJQBSA-N 2 1 303.450 1.180 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267570979 838329686 /nfs/dbraw/zinc/32/96/86/838329686.db2.gz HLBWDVWNWGHOOE-MSOLQXFVSA-N 2 1 319.493 1.958 20 30 DDEDMP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267570716 838330177 /nfs/dbraw/zinc/33/01/77/838330177.db2.gz RGUHILHCEPFKBM-IAGOWNOFSA-N 2 1 323.481 1.051 20 30 DDEDMP CCCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267721225 838730765 /nfs/dbraw/zinc/73/07/65/838730765.db2.gz ODAKAADHCDLUSE-JKSUJKDBSA-N 2 1 311.470 1.478 20 30 DDEDMP CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267721225 838730767 /nfs/dbraw/zinc/73/07/67/838730767.db2.gz ODAKAADHCDLUSE-JKSUJKDBSA-N 2 1 311.470 1.478 20 30 DDEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001267721225 838730771 /nfs/dbraw/zinc/73/07/71/838730771.db2.gz ODAKAADHCDLUSE-JKSUJKDBSA-N 2 1 311.470 1.478 20 30 DDEDMP CCCCCCC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267721225 838730773 /nfs/dbraw/zinc/73/07/73/838730773.db2.gz ODAKAADHCDLUSE-JKSUJKDBSA-N 2 1 311.470 1.478 20 30 DDEDMP C#CCC[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2C)CCCC[C@H]1C ZINC001267871215 839106424 /nfs/dbraw/zinc/10/64/24/839106424.db2.gz DFWVGVAHRNWIAI-CRAIPNDOSA-N 2 1 316.449 1.870 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001267966504 839284498 /nfs/dbraw/zinc/28/44/98/839284498.db2.gz KMRISPUNKGIBFN-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#CCOC)C1)[NH+](CC)CC ZINC001267966504 839284511 /nfs/dbraw/zinc/28/45/11/839284511.db2.gz KMRISPUNKGIBFN-IAGOWNOFSA-N 2 1 323.481 1.337 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001268225870 839859369 /nfs/dbraw/zinc/85/93/69/839859369.db2.gz QIOHJMVMTZJCAY-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001268225870 839859375 /nfs/dbraw/zinc/85/93/75/839859375.db2.gz QIOHJMVMTZJCAY-KRWDZBQOSA-N 2 1 323.481 1.646 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268242187 839882790 /nfs/dbraw/zinc/88/27/90/839882790.db2.gz JPNPOIMZPALPSJ-UHFFFAOYSA-N 2 1 311.389 1.294 20 30 DDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]21 ZINC001268271393 839925797 /nfs/dbraw/zinc/92/57/97/839925797.db2.gz RJXGPJJJQPROHM-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001268271393 839925803 /nfs/dbraw/zinc/92/58/03/839925803.db2.gz RJXGPJJJQPROHM-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001268271393 839925807 /nfs/dbraw/zinc/92/58/07/839925807.db2.gz RJXGPJJJQPROHM-SJORKVTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1 ZINC001268372772 840076194 /nfs/dbraw/zinc/07/61/94/840076194.db2.gz HWQOTYMMBUVJEO-AEFFLSMTSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1ccccc1 ZINC001268372772 840076201 /nfs/dbraw/zinc/07/62/01/840076201.db2.gz HWQOTYMMBUVJEO-AEFFLSMTSA-N 2 1 313.445 1.769 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(C)(C)C ZINC001268552497 840435804 /nfs/dbraw/zinc/43/58/04/840435804.db2.gz NCQGNIZREPWSJB-WLMCBFPDSA-N 2 1 305.466 1.782 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(C)(C)C ZINC001268552497 840435806 /nfs/dbraw/zinc/43/58/06/840435806.db2.gz NCQGNIZREPWSJB-WLMCBFPDSA-N 2 1 305.466 1.782 20 30 DDEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)c1cc(CN2CCCC2)on1 ZINC001268747364 840752447 /nfs/dbraw/zinc/75/24/47/840752447.db2.gz RKOWPVAMMUDZEG-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C=CC[N@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001268747364 840752461 /nfs/dbraw/zinc/75/24/61/840752461.db2.gz RKOWPVAMMUDZEG-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001326222949 861209020 /nfs/dbraw/zinc/20/90/20/861209020.db2.gz MWKRAKCSNOOGJW-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001326222949 861209036 /nfs/dbraw/zinc/20/90/36/861209036.db2.gz MWKRAKCSNOOGJW-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001269870922 842117937 /nfs/dbraw/zinc/11/79/37/842117937.db2.gz GNXDAENVBIRRHC-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC#CCOC ZINC001270194270 842371481 /nfs/dbraw/zinc/37/14/81/842371481.db2.gz PYPCJCJIPVXVES-DLBZAZTESA-N 2 1 321.465 1.091 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001270959134 843089723 /nfs/dbraw/zinc/08/97/23/843089723.db2.gz SRWAUZDZMKMZMV-HKUYNNGSSA-N 2 1 317.477 1.570 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001271254368 843447841 /nfs/dbraw/zinc/44/78/41/843447841.db2.gz MXDCMHDNMKCITG-CVEARBPZSA-N 2 1 311.470 1.404 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001271254368 843447845 /nfs/dbraw/zinc/44/78/45/843447845.db2.gz MXDCMHDNMKCITG-CVEARBPZSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244653 861892128 /nfs/dbraw/zinc/89/21/28/861892128.db2.gz XEVSRRVWMLVLKI-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001155244653 861892144 /nfs/dbraw/zinc/89/21/44/861892144.db2.gz XEVSRRVWMLVLKI-UKRRQHHQSA-N 2 1 304.438 1.767 20 30 DDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394171 848456360 /nfs/dbraw/zinc/45/63/60/848456360.db2.gz JTXCCPGAHPZVRS-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001034394171 848456366 /nfs/dbraw/zinc/45/63/66/848456366.db2.gz JTXCCPGAHPZVRS-HZPDHXFCSA-N 2 1 316.449 1.911 20 30 DDEDMP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)C1 ZINC001273145410 848575246 /nfs/dbraw/zinc/57/52/46/848575246.db2.gz WPLCNGOJQKYFHU-GVDBMIGSSA-N 2 1 318.465 1.697 20 30 DDEDMP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)C1 ZINC001273145410 848575253 /nfs/dbraw/zinc/57/52/53/848575253.db2.gz WPLCNGOJQKYFHU-GVDBMIGSSA-N 2 1 318.465 1.697 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)C1 ZINC001273145410 848575264 /nfs/dbraw/zinc/57/52/64/848575264.db2.gz WPLCNGOJQKYFHU-GVDBMIGSSA-N 2 1 318.465 1.697 20 30 DDEDMP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CCCC#N)C1 ZINC001273145410 848575268 /nfs/dbraw/zinc/57/52/68/848575268.db2.gz WPLCNGOJQKYFHU-GVDBMIGSSA-N 2 1 318.465 1.697 20 30 DDEDMP C=CCCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001327349948 862090586 /nfs/dbraw/zinc/09/05/86/862090586.db2.gz MQLVWZUMIKVKEA-JKSUJKDBSA-N 2 1 321.465 1.396 20 30 DDEDMP C=C(C)C[NH2+]C/C=C/CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001274368510 852199276 /nfs/dbraw/zinc/19/92/76/852199276.db2.gz MFTGUEZPHILGEM-ONEGZZNKSA-N 2 1 318.421 1.722 20 30 DDEDMP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280710307 853124242 /nfs/dbraw/zinc/12/42/42/853124242.db2.gz QRGZJSWIQBCEKS-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001280710307 853124248 /nfs/dbraw/zinc/12/42/48/853124248.db2.gz QRGZJSWIQBCEKS-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275779521 853733336 /nfs/dbraw/zinc/73/33/36/853733336.db2.gz FQZOVQZLKCMVCP-HOTGVXAUSA-N 2 1 302.422 1.479 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)c3ccc4c[nH+]cn4c3C)C2)C1 ZINC001072882517 857838724 /nfs/dbraw/zinc/83/87/24/857838724.db2.gz ALXFSOUAHQIDDM-UHFFFAOYSA-N 2 1 322.412 1.814 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)c3occc3C[NH+](C)C)C2)C1 ZINC001072923077 857893795 /nfs/dbraw/zinc/89/37/95/857893795.db2.gz MUBRJAWUGOCIPX-UHFFFAOYSA-N 2 1 315.417 1.512 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)C2)C1 ZINC001073050414 858047284 /nfs/dbraw/zinc/04/72/84/858047284.db2.gz YWLCFJQKJIPHAJ-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)C2)C1 ZINC001073050414 858047290 /nfs/dbraw/zinc/04/72/90/858047290.db2.gz YWLCFJQKJIPHAJ-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@H+]43)C2)C1 ZINC001073050414 858047300 /nfs/dbraw/zinc/04/73/00/858047300.db2.gz YWLCFJQKJIPHAJ-SJORKVTESA-N 2 1 315.461 1.561 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001073599425 858472864 /nfs/dbraw/zinc/47/28/64/858472864.db2.gz FARRMSWYSZNYGT-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599425 858472869 /nfs/dbraw/zinc/47/28/69/858472869.db2.gz FARRMSWYSZNYGT-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001073599425 858472875 /nfs/dbraw/zinc/47/28/75/858472875.db2.gz FARRMSWYSZNYGT-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001161213161 860888927 /nfs/dbraw/zinc/88/89/27/860888927.db2.gz HMFABXIEMUMSKI-QGZVFWFLSA-N 2 1 305.466 1.878 20 30 DDEDMP COCC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001325920255 860956789 /nfs/dbraw/zinc/95/67/89/860956789.db2.gz YLFLZOGWCIPRNX-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001325920255 860956797 /nfs/dbraw/zinc/95/67/97/860956797.db2.gz YLFLZOGWCIPRNX-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP COCC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001325920255 860956808 /nfs/dbraw/zinc/95/68/08/860956808.db2.gz YLFLZOGWCIPRNX-IRXDYDNUSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001328588761 863090007 /nfs/dbraw/zinc/09/00/07/863090007.db2.gz ZRRPRHMFOSWANY-UHFFFAOYSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCOC)CC1 ZINC001227849311 883202506 /nfs/dbraw/zinc/20/25/06/883202506.db2.gz PPYNSAAAKKOOJP-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCCCOC)CC1 ZINC001227849311 883202524 /nfs/dbraw/zinc/20/25/24/883202524.db2.gz PPYNSAAAKKOOJP-KRWDZBQOSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001330475656 864385750 /nfs/dbraw/zinc/38/57/50/864385750.db2.gz PCZVRSDCNVJIAR-KSZLIROESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001158083042 864418185 /nfs/dbraw/zinc/41/81/85/864418185.db2.gz OZGHRLMONKJWPY-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001158083042 864418201 /nfs/dbraw/zinc/41/82/01/864418201.db2.gz OZGHRLMONKJWPY-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001158083042 864418222 /nfs/dbraw/zinc/41/82/22/864418222.db2.gz OZGHRLMONKJWPY-DLBZAZTESA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158420989 864643187 /nfs/dbraw/zinc/64/31/87/864643187.db2.gz OWTLQIQZQCZZNE-VXGBXAGGSA-N 2 1 318.259 1.331 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001158473923 864675924 /nfs/dbraw/zinc/67/59/24/864675924.db2.gz QGSWFKXSJYTWPF-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001158473923 864675928 /nfs/dbraw/zinc/67/59/28/864675928.db2.gz QGSWFKXSJYTWPF-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001158473923 864675934 /nfs/dbraw/zinc/67/59/34/864675934.db2.gz QGSWFKXSJYTWPF-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001160209229 865730356 /nfs/dbraw/zinc/73/03/56/865730356.db2.gz FBCAIHAZANYFCJ-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCC1CCCC1 ZINC001160209229 865730362 /nfs/dbraw/zinc/73/03/62/865730362.db2.gz FBCAIHAZANYFCJ-KRWDZBQOSA-N 2 1 305.466 1.760 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001160367717 865800221 /nfs/dbraw/zinc/80/02/21/865800221.db2.gz USYSTNFNYDYCOU-QGZVFWFLSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH+]1CC=C(CCNC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001160518144 865902671 /nfs/dbraw/zinc/90/26/71/865902671.db2.gz GTPHOBUNLZUTEM-UHFFFAOYSA-N 2 1 305.466 1.878 20 30 DDEDMP CC#CC[N@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518144 865902675 /nfs/dbraw/zinc/90/26/75/865902675.db2.gz GTPHOBUNLZUTEM-UHFFFAOYSA-N 2 1 305.466 1.878 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)[NH+](C)CC)CC1 ZINC001160518144 865902688 /nfs/dbraw/zinc/90/26/88/865902688.db2.gz GTPHOBUNLZUTEM-UHFFFAOYSA-N 2 1 305.466 1.878 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001332900230 866235105 /nfs/dbraw/zinc/23/51/05/866235105.db2.gz SUXVMNKZKVWFAR-GJZGRUSLSA-N 2 1 311.470 1.404 20 30 DDEDMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001332900230 866235118 /nfs/dbraw/zinc/23/51/18/866235118.db2.gz SUXVMNKZKVWFAR-GJZGRUSLSA-N 2 1 311.470 1.404 20 30 DDEDMP CC[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC[C@H]1[NH2+]CC#CCOC ZINC001323171093 866399457 /nfs/dbraw/zinc/39/94/57/866399457.db2.gz TVIASIFOWPYSMM-IAGOWNOFSA-N 2 1 323.481 1.193 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001323874584 866916432 /nfs/dbraw/zinc/91/64/32/866916432.db2.gz UYUXKNASLPCIHQ-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001323874584 866916448 /nfs/dbraw/zinc/91/64/48/866916448.db2.gz UYUXKNASLPCIHQ-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001323874584 866916462 /nfs/dbraw/zinc/91/64/62/866916462.db2.gz UYUXKNASLPCIHQ-SFHVURJKSA-N 2 1 305.466 1.666 20 30 DDEDMP C#CC[NH+]1CC=C(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001161953246 867136827 /nfs/dbraw/zinc/13/68/27/867136827.db2.gz QDDSLWAENFGMMS-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953246 867136836 /nfs/dbraw/zinc/13/68/36/867136836.db2.gz QDDSLWAENFGMMS-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001161953246 867136841 /nfs/dbraw/zinc/13/68/41/867136841.db2.gz QDDSLWAENFGMMS-QGZVFWFLSA-N 2 1 303.450 1.632 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001321543520 867656046 /nfs/dbraw/zinc/65/60/46/867656046.db2.gz UHQWJHYOJVMRCN-OCCSQVGLSA-N 2 1 313.392 1.224 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(F)(F)C1 ZINC001321543520 867656058 /nfs/dbraw/zinc/65/60/58/867656058.db2.gz UHQWJHYOJVMRCN-OCCSQVGLSA-N 2 1 313.392 1.224 20 30 DDEDMP C=CCn1ccc2c1nc[nH+]c2N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163311095 868338395 /nfs/dbraw/zinc/33/83/95/868338395.db2.gz QLQCMOIJQCFGIP-GUYCJALGSA-N 2 1 313.405 1.940 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC001164596944 869315469 /nfs/dbraw/zinc/31/54/69/869315469.db2.gz UEDWETPXRAJLJR-JKSUJKDBSA-N 2 1 321.465 1.302 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001165727889 869692281 /nfs/dbraw/zinc/69/22/81/869692281.db2.gz JXFKAFLISKFNJZ-JKSUJKDBSA-N 2 1 303.450 1.513 20 30 DDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)C1CC1 ZINC001317024531 870131446 /nfs/dbraw/zinc/13/14/46/870131446.db2.gz FJRBVJLMXKXPMS-RDJZCZTQSA-N 2 1 314.433 1.262 20 30 DDEDMP C=C(C)CC[NH2+]CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001166736667 870208344 /nfs/dbraw/zinc/20/83/44/870208344.db2.gz QOKKRYORLNCAEN-UHFFFAOYSA-N 2 1 320.437 1.946 20 30 DDEDMP C=C(C)C[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166751801 870222907 /nfs/dbraw/zinc/22/29/07/870222907.db2.gz WXVLPPICUIDSCI-UHFFFAOYSA-N 2 1 303.450 1.833 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317190711 870442769 /nfs/dbraw/zinc/44/27/69/870442769.db2.gz QPQUHWHHZAYNSY-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2cnc[nH]2)C12CCC2 ZINC001203442149 870562002 /nfs/dbraw/zinc/56/20/02/870562002.db2.gz JROXJECXOGAIJH-HUUCEWRRSA-N 2 1 302.422 1.935 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1OCC ZINC001316695248 871390471 /nfs/dbraw/zinc/39/04/71/871390471.db2.gz KDELEASTENTFTL-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC001205284223 871483422 /nfs/dbraw/zinc/48/34/22/871483422.db2.gz KKOQXOKMPPUTRB-IAGOWNOFSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001341717703 871789757 /nfs/dbraw/zinc/78/97/57/871789757.db2.gz VGQOLAUZQXHLBC-BBRMVZONSA-N 2 1 305.447 1.470 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001316759136 872000538 /nfs/dbraw/zinc/00/05/38/872000538.db2.gz AZZLUMPGFPAUBL-SJORKVTESA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001206281325 872184167 /nfs/dbraw/zinc/18/41/67/872184167.db2.gz IKWCXSADTQFSHU-MRXNPFEDSA-N 2 1 316.449 1.768 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001206940002 872811253 /nfs/dbraw/zinc/81/12/53/872811253.db2.gz CIODOLUAIAMYMA-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001206940002 872811258 /nfs/dbraw/zinc/81/12/58/872811258.db2.gz CIODOLUAIAMYMA-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001208334497 874024457 /nfs/dbraw/zinc/02/44/57/874024457.db2.gz JDSMUTUDQRSIJD-WMZOPIPTSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001208474439 874172337 /nfs/dbraw/zinc/17/23/37/874172337.db2.gz KWOMIFLNADIPLJ-IRXDYDNUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCN(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC001209015195 874602825 /nfs/dbraw/zinc/60/28/25/874602825.db2.gz JDBXHCUHWNYZKI-UHFFFAOYSA-N 2 1 318.421 1.848 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001209203331 874728592 /nfs/dbraw/zinc/72/85/92/874728592.db2.gz BYSRDONECJTKFD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001209954293 875177387 /nfs/dbraw/zinc/17/73/87/875177387.db2.gz WKADPXVOYZRYAW-DLBZAZTESA-N 2 1 305.466 1.853 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213578514 875985718 /nfs/dbraw/zinc/98/57/18/875985718.db2.gz SNLSNAPRYMFXHR-HZPDHXFCSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213578514 875985727 /nfs/dbraw/zinc/98/57/27/875985727.db2.gz SNLSNAPRYMFXHR-HZPDHXFCSA-N 2 1 320.437 1.363 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001379002650 876115859 /nfs/dbraw/zinc/11/58/59/876115859.db2.gz WIAYEBWTHXFZCA-KGLIPLIRSA-N 2 1 301.862 1.811 20 30 DDEDMP C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379347990 876883567 /nfs/dbraw/zinc/88/35/67/876883567.db2.gz LVRHYFMHCSYTJW-WBMJQRKESA-N 2 1 318.396 1.386 20 30 DDEDMP C#CC[NH2+]CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001353821244 877589032 /nfs/dbraw/zinc/58/90/32/877589032.db2.gz UARYKWSIBYQEIY-WMZOPIPTSA-N 2 1 313.445 1.626 20 30 DDEDMP O=C(C[NH2+]CC#Cc1ccccc1)NCC[NH+]1CCCCCC1 ZINC001355320936 878498480 /nfs/dbraw/zinc/49/84/80/878498480.db2.gz GFXCTRRUYBEOSS-UHFFFAOYSA-N 2 1 313.445 1.620 20 30 DDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922858 878595664 /nfs/dbraw/zinc/59/56/64/878595664.db2.gz LKEYVWBJWNZPSZ-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922858 878595681 /nfs/dbraw/zinc/59/56/81/878595681.db2.gz LKEYVWBJWNZPSZ-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](O)C1 ZINC001219922858 878595693 /nfs/dbraw/zinc/59/56/93/878595693.db2.gz LKEYVWBJWNZPSZ-CVEARBPZSA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221787200 880081984 /nfs/dbraw/zinc/08/19/84/880081984.db2.gz MNBIWJXJALZUFF-IAGOWNOFSA-N 2 1 305.466 1.827 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813310 880103032 /nfs/dbraw/zinc/10/30/32/880103032.db2.gz FJEUHFOSZGCMRI-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813310 880103043 /nfs/dbraw/zinc/10/30/43/880103043.db2.gz FJEUHFOSZGCMRI-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813310 880103059 /nfs/dbraw/zinc/10/30/59/880103059.db2.gz FJEUHFOSZGCMRI-BRWVUGGUSA-N 2 1 321.465 1.206 20 30 DDEDMP COc1cc(C#N)ccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099862 880253159 /nfs/dbraw/zinc/25/31/59/880253159.db2.gz OFKGAFWRQRITTG-UHFFFAOYSA-N 2 1 300.406 1.094 20 30 DDEDMP N#Cc1cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)ccc1Cl ZINC001222511141 880526919 /nfs/dbraw/zinc/52/69/19/880526919.db2.gz PZGMXHKCPHDLFJ-HOTGVXAUSA-N 2 1 304.825 1.737 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001277345992 883753915 /nfs/dbraw/zinc/75/39/15/883753915.db2.gz PAOXRNUDFLKVQZ-IXDOHACOSA-N 2 1 323.456 1.755 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001277345992 883753918 /nfs/dbraw/zinc/75/39/18/883753918.db2.gz PAOXRNUDFLKVQZ-IXDOHACOSA-N 2 1 323.456 1.755 20 30 DDEDMP C=CC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001277413780 884127790 /nfs/dbraw/zinc/12/77/90/884127790.db2.gz ZLKMKLUFRCKSBC-UHFFFAOYSA-N 2 1 309.454 1.208 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234345456 887889154 /nfs/dbraw/zinc/88/91/54/887889154.db2.gz JEBOSNOEGGEJSI-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001234345456 887889168 /nfs/dbraw/zinc/88/91/68/887889168.db2.gz JEBOSNOEGGEJSI-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001234346612 887890173 /nfs/dbraw/zinc/89/01/73/887890173.db2.gz ZMMGLLTZHLNOEM-DLBZAZTESA-N 2 1 321.465 1.064 20 30 DDEDMP Cn1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c2cc(C#N)ccc21 ZINC001234987845 888306110 /nfs/dbraw/zinc/30/61/10/888306110.db2.gz GPJSJGWKOBLUNH-GOSISDBHSA-N 2 1 309.417 1.187 20 30 DDEDMP C=CCCC[N@@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235269899 888518263 /nfs/dbraw/zinc/51/82/63/888518263.db2.gz DUIFIJODYWEJGS-KBPBESRZSA-N 2 1 320.355 1.970 20 30 DDEDMP C=CCCC[N@H+]1C[C@]2(C(=O)OCC)C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235269899 888518278 /nfs/dbraw/zinc/51/82/78/888518278.db2.gz DUIFIJODYWEJGS-KBPBESRZSA-N 2 1 320.355 1.970 20 30 DDEDMP N#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C2)CC1 ZINC001277937047 888549966 /nfs/dbraw/zinc/54/99/66/888549966.db2.gz YJQXJIHQWWEWSI-INIZCTEOSA-N 2 1 316.449 1.309 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+]1CCCCC ZINC001235473329 888667394 /nfs/dbraw/zinc/66/73/94/888667394.db2.gz WBLBTUZAXSHCTE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC ZINC001235473329 888667399 /nfs/dbraw/zinc/66/73/99/888667399.db2.gz WBLBTUZAXSHCTE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCC ZINC001235473329 888667404 /nfs/dbraw/zinc/66/74/04/888667404.db2.gz WBLBTUZAXSHCTE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCCC ZINC001235473329 888667409 /nfs/dbraw/zinc/66/74/09/888667409.db2.gz WBLBTUZAXSHCTE-IRXDYDNUSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CCN(CCF)CC1 ZINC001278157199 889916060 /nfs/dbraw/zinc/91/60/60/889916060.db2.gz CZVKKVUOCPQTFX-MRXNPFEDSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCN(C(=O)CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCF)CC1 ZINC001278157199 889916071 /nfs/dbraw/zinc/91/60/71/889916071.db2.gz CZVKKVUOCPQTFX-MRXNPFEDSA-N 2 1 323.456 1.757 20 30 DDEDMP C#CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCF)CC1 ZINC001278157199 889916085 /nfs/dbraw/zinc/91/60/85/889916085.db2.gz CZVKKVUOCPQTFX-MRXNPFEDSA-N 2 1 323.456 1.757 20 30 DDEDMP N#CC1(c2ccc(F)cc2)CCC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC1 ZINC001246301188 892526857 /nfs/dbraw/zinc/52/68/57/892526857.db2.gz WHELTNYOELLRNW-OEWOMKROSA-N 2 1 317.408 1.700 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[NH2+][C@@H](C(C)C)C1 ZINC001246305410 892529881 /nfs/dbraw/zinc/52/98/81/892529881.db2.gz RDWPOOFJWLXSTQ-HRCADAONSA-N 3 1 311.470 1.579 20 30 DDEDMP N#C[C@@H]1C[C@H]([N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)CCN1 ZINC001246859859 892948656 /nfs/dbraw/zinc/94/86/56/892948656.db2.gz KWNKNQPOAVBQBL-DLBZAZTESA-N 2 1 310.445 1.768 20 30 DDEDMP NC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC001255104823 896737631 /nfs/dbraw/zinc/73/76/31/896737631.db2.gz JPMKWJCDTJUWJQ-KRWDZBQOSA-N 2 1 322.412 1.765 20 30 DDEDMP NC(=O)c1ccc(C(=[NH2+])N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001255104823 896737641 /nfs/dbraw/zinc/73/76/41/896737641.db2.gz JPMKWJCDTJUWJQ-KRWDZBQOSA-N 2 1 322.412 1.765 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001258727515 898301167 /nfs/dbraw/zinc/30/11/67/898301167.db2.gz FYIYNNJZGSDEQG-ZDUSSCGKSA-N 2 1 320.437 1.679 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3ccc(C#N)cc3)CC2)C1 ZINC001368034782 898544160 /nfs/dbraw/zinc/54/41/60/898544160.db2.gz KCBXGXZQAGEAEZ-INIZCTEOSA-N 2 1 312.417 1.248 20 30 DDEDMP C#CC[N@@H+](C[C@@H](O)C(C)C)C1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC001262019520 899897567 /nfs/dbraw/zinc/89/75/67/899897567.db2.gz UOHBKNPDXVBKON-ZWKOTPCHSA-N 2 1 310.482 1.420 20 30 DDEDMP C#CC[N@H+](C[C@@H](O)C(C)C)C1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC001262019520 899897569 /nfs/dbraw/zinc/89/75/69/899897569.db2.gz UOHBKNPDXVBKON-ZWKOTPCHSA-N 2 1 310.482 1.420 20 30 DDEDMP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001264078378 900913974 /nfs/dbraw/zinc/91/39/74/900913974.db2.gz JBWKYDILTFAXLW-MRXNPFEDSA-N 2 1 323.481 1.190 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001264652056 901247364 /nfs/dbraw/zinc/24/73/64/901247364.db2.gz RKIOMVSKHBRNKR-SQNIBIBYSA-N 2 1 319.493 1.910 20 30 DDEDMP C=CCCC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001265260168 901784876 /nfs/dbraw/zinc/78/48/76/901784876.db2.gz YQWCHIWHECUFGE-KRWDZBQOSA-N 2 1 322.497 1.171 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265306116 901860136 /nfs/dbraw/zinc/86/01/36/901860136.db2.gz JXTQWMUITVVZBX-OAHLLOKOSA-N 2 1 320.437 1.400 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001265306116 901860150 /nfs/dbraw/zinc/86/01/50/901860150.db2.gz JXTQWMUITVVZBX-OAHLLOKOSA-N 2 1 320.437 1.400 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001265675154 902286777 /nfs/dbraw/zinc/28/67/77/902286777.db2.gz BKOZNRNMFBGJCQ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265915990 902590410 /nfs/dbraw/zinc/59/04/10/902590410.db2.gz FOCCCDHYFBIPEN-ZDUSSCGKSA-N 2 1 306.410 1.507 20 30 DDEDMP C=CC[NH2+]CC1(O)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001281637412 905109236 /nfs/dbraw/zinc/10/92/36/905109236.db2.gz UEZXHDXJFKRGBW-UHFFFAOYSA-N 2 1 311.470 1.093 20 30 DDEDMP C=CCC[C@H](C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001282518858 905847700 /nfs/dbraw/zinc/84/77/00/905847700.db2.gz ZCVBLSDGQPZQPY-ARFHVFGLSA-N 2 1 323.481 1.234 20 30 DDEDMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001282860807 906114771 /nfs/dbraw/zinc/11/47/71/906114771.db2.gz XRTHQSWXBHRLDZ-HHARLNAUSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001282860807 906114777 /nfs/dbraw/zinc/11/47/77/906114777.db2.gz XRTHQSWXBHRLDZ-HHARLNAUSA-N 2 1 305.466 1.587 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001282860807 906114783 /nfs/dbraw/zinc/11/47/83/906114783.db2.gz XRTHQSWXBHRLDZ-HHARLNAUSA-N 2 1 305.466 1.587 20 30 DDEDMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001393164297 906367179 /nfs/dbraw/zinc/36/71/79/906367179.db2.gz RMUHARJGXQLETQ-HNNXBMFYSA-N 2 1 301.862 1.909 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001375848653 917121530 /nfs/dbraw/zinc/12/15/30/917121530.db2.gz ZVGIYKZRQYKTAB-MRXNPFEDSA-N 2 1 320.462 1.652 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001375848653 917121535 /nfs/dbraw/zinc/12/15/35/917121535.db2.gz ZVGIYKZRQYKTAB-MRXNPFEDSA-N 2 1 320.462 1.652 20 30 DDEDMP C=CCNC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821335 185343798 /nfs/dbraw/zinc/34/37/98/185343798.db2.gz WTDWUDMDYBHRCW-UHFFFAOYSA-N 2 1 316.449 1.922 20 30 DDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000615779433 362437498 /nfs/dbraw/zinc/43/74/98/362437498.db2.gz BCPVIHZOHBSWPB-KGLIPLIRSA-N 2 1 301.394 1.471 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000069047629 353142520 /nfs/dbraw/zinc/14/25/20/353142520.db2.gz XWUVVVIEQJOULF-UHFFFAOYSA-N 2 1 305.466 1.664 20 30 DDEDMP N#Cc1cnccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000592495967 355600395 /nfs/dbraw/zinc/60/03/95/355600395.db2.gz ZTXNAUSJKYIEPB-SJORKVTESA-N 2 1 300.406 1.672 20 30 DDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736205 355980676 /nfs/dbraw/zinc/98/06/76/355980676.db2.gz JOQIRRIATNHRNQ-BHYGNILZSA-N 2 1 300.406 1.672 20 30 DDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736205 355980679 /nfs/dbraw/zinc/98/06/79/355980679.db2.gz JOQIRRIATNHRNQ-BHYGNILZSA-N 2 1 300.406 1.672 20 30 DDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000594445772 356219401 /nfs/dbraw/zinc/21/94/01/356219401.db2.gz LRSALSWRCFQASF-KRWDZBQOSA-N 2 1 314.433 1.742 20 30 DDEDMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329899009 223044034 /nfs/dbraw/zinc/04/40/34/223044034.db2.gz FESUCUFHCMRIQK-HUUCEWRRSA-N 2 1 319.453 1.824 20 30 DDEDMP COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264116618 285205132 /nfs/dbraw/zinc/20/51/32/285205132.db2.gz SYQAIURPDPZELK-ZIAGYGMSSA-N 2 1 324.494 1.899 20 30 DDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170906964 407550571 /nfs/dbraw/zinc/55/05/71/407550571.db2.gz BRJSOHPCXGPWQV-AWEZNQCLSA-N 2 1 304.442 1.082 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000152284182 407599821 /nfs/dbraw/zinc/59/98/21/407599821.db2.gz QMEUSFRMIYVINU-AWEZNQCLSA-N 2 1 311.495 1.580 20 30 DDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385862 407676964 /nfs/dbraw/zinc/67/69/64/407676964.db2.gz IGHRUXHJMUXHBB-UHFFFAOYSA-N 2 1 306.454 1.556 20 30 DDEDMP CN(C)C(=[NH+]CC1([NH+]2CCCCC2)CCN(C)CC1)N(C)C ZINC000262526402 407856217 /nfs/dbraw/zinc/85/62/17/407856217.db2.gz LFWMMYQOLLBUCG-UHFFFAOYSA-N 2 1 309.502 1.416 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(N(C)C)n1 ZINC000269953968 408478544 /nfs/dbraw/zinc/47/85/44/408478544.db2.gz JXUBEAXAJBMOLS-CQSZACIVSA-N 2 1 304.442 1.036 20 30 DDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc(-n2ccnc2)c1 ZINC000329498948 410328924 /nfs/dbraw/zinc/32/89/24/410328924.db2.gz FOKUXEQVAXYRMM-INIZCTEOSA-N 2 1 313.405 1.423 20 30 DDEDMP CN1CCN(C)[C@@H](CNC(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000329498948 410328934 /nfs/dbraw/zinc/32/89/34/410328934.db2.gz FOKUXEQVAXYRMM-INIZCTEOSA-N 2 1 313.405 1.423 20 30 DDEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000329529845 410344840 /nfs/dbraw/zinc/34/48/40/410344840.db2.gz VKUMKKXODAAARY-ZNMIVQPWSA-N 2 1 322.453 1.866 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000329529845 410344846 /nfs/dbraw/zinc/34/48/46/410344846.db2.gz VKUMKKXODAAARY-ZNMIVQPWSA-N 2 1 322.453 1.866 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000329529845 410344851 /nfs/dbraw/zinc/34/48/51/410344851.db2.gz VKUMKKXODAAARY-ZNMIVQPWSA-N 2 1 322.453 1.866 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(CC)CC2)CC1 ZINC000358232268 410414280 /nfs/dbraw/zinc/41/42/80/410414280.db2.gz UJMUMDGQCJZBOW-UHFFFAOYSA-N 2 1 322.497 1.171 20 30 DDEDMP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC#CCN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000341911066 411083332 /nfs/dbraw/zinc/08/33/32/411083332.db2.gz SOTSONDKHDEUHO-TVFCKZIOSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC#CCN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000341911066 411083336 /nfs/dbraw/zinc/08/33/36/411083336.db2.gz SOTSONDKHDEUHO-TVFCKZIOSA-N 2 1 306.498 1.039 20 30 DDEDMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC#CCN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000341911066 411083339 /nfs/dbraw/zinc/08/33/39/411083339.db2.gz SOTSONDKHDEUHO-TVFCKZIOSA-N 2 1 306.498 1.039 20 30 DDEDMP C#CCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367402900 418597267 /nfs/dbraw/zinc/59/72/67/418597267.db2.gz MTWRGZQXFUJNPM-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCCCCC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367402900 418597268 /nfs/dbraw/zinc/59/72/68/418597268.db2.gz MTWRGZQXFUJNPM-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261992244 222267493 /nfs/dbraw/zinc/26/74/93/222267493.db2.gz RMZJDQMRYCGSGP-LSDHHAIUSA-N 2 1 317.437 1.204 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262436339 222281115 /nfs/dbraw/zinc/28/11/15/222281115.db2.gz TWNQRUFYILNSBJ-JONQDZQNSA-N 2 1 322.497 1.839 20 30 DDEDMP COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000262440946 222281304 /nfs/dbraw/zinc/28/13/04/222281304.db2.gz ASQURGNBNWKFHB-LLVKDONJSA-N 2 1 315.377 1.642 20 30 DDEDMP C[C@H]1CN(C(=[NH2+])NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000262845056 222297782 /nfs/dbraw/zinc/29/77/82/222297782.db2.gz VNPALNJDIMCTNF-GOEBONIOSA-N 2 1 308.470 1.819 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1ccccc1F ZINC000264069275 222312126 /nfs/dbraw/zinc/31/21/26/222312126.db2.gz CTJFCAIDWZMIOY-IUODEOHRSA-N 2 1 308.401 1.248 20 30 DDEDMP CCCCNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264078777 222313811 /nfs/dbraw/zinc/31/38/11/222313811.db2.gz GNXVYYXKAQYDES-UHFFFAOYSA-N 2 1 318.469 1.298 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000264081536 222314005 /nfs/dbraw/zinc/31/40/05/222314005.db2.gz HNWKAQDKMOTBKL-ZDUSSCGKSA-N 2 1 310.467 1.511 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CC1 ZINC000368016526 418674605 /nfs/dbraw/zinc/67/46/05/418674605.db2.gz CFIQSTLBGDWTGV-WBVHZDCISA-N 2 1 320.481 1.763 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000362850744 418760196 /nfs/dbraw/zinc/76/01/96/418760196.db2.gz MJUJSMRTPNPZSL-MRXNPFEDSA-N 2 1 308.470 1.618 20 30 DDEDMP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000443987995 230041677 /nfs/dbraw/zinc/04/16/77/230041677.db2.gz YVOPIZGDJXWHSV-QGZVFWFLSA-N 2 1 314.433 1.544 20 30 DDEDMP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1C#N ZINC000443987995 230041681 /nfs/dbraw/zinc/04/16/81/230041681.db2.gz YVOPIZGDJXWHSV-QGZVFWFLSA-N 2 1 314.433 1.544 20 30 DDEDMP C=C[C@@H]1OCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000448852801 420906515 /nfs/dbraw/zinc/90/65/15/420906515.db2.gz MFEOIXBHOURFOK-BBWFWOEESA-N 2 1 323.481 1.452 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000490593494 421192365 /nfs/dbraw/zinc/19/23/65/421192365.db2.gz AAMBWZFKTXEUKA-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000583930258 422218886 /nfs/dbraw/zinc/21/88/86/422218886.db2.gz VXVBSHNDVNAUHS-PVAVHDDUSA-N 2 1 317.433 1.565 20 30 DDEDMP COc1cccc([C@H](CNC(=[NH2+])NC2CC2)[NH+]2CCCC2)c1 ZINC000264147245 278022044 /nfs/dbraw/zinc/02/20/44/278022044.db2.gz YEIRCUHGYIDFDJ-INIZCTEOSA-N 2 1 302.422 1.899 20 30 DDEDMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000569468153 308144778 /nfs/dbraw/zinc/14/47/78/308144778.db2.gz ANRALZNNOHFQHV-INIZCTEOSA-N 2 1 311.389 1.773 20 30 DDEDMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000569468153 308144780 /nfs/dbraw/zinc/14/47/80/308144780.db2.gz ANRALZNNOHFQHV-INIZCTEOSA-N 2 1 311.389 1.773 20 30 DDEDMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000584411107 337321167 /nfs/dbraw/zinc/32/11/67/337321167.db2.gz JWKAJAHXHBUGMO-UHFFFAOYSA-N 2 1 310.405 1.661 20 30 DDEDMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000584411107 337321168 /nfs/dbraw/zinc/32/11/68/337321168.db2.gz JWKAJAHXHBUGMO-UHFFFAOYSA-N 2 1 310.405 1.661 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000491670236 526980452 /nfs/dbraw/zinc/98/04/52/526980452.db2.gz VIWYXAOXDPZNBS-UHFFFAOYSA-N 2 1 313.445 1.423 20 30 DDEDMP C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000491167132 526984810 /nfs/dbraw/zinc/98/48/10/526984810.db2.gz WHHHFMYJCOUBIV-FUHWJXTLSA-N 2 1 313.445 1.626 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000735397720 598369243 /nfs/dbraw/zinc/36/92/43/598369243.db2.gz CRCZDZWENLCTMH-UHFFFAOYSA-N 2 1 312.421 1.997 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974655730 695705202 /nfs/dbraw/zinc/70/52/02/695705202.db2.gz YAYSTBCLZBUXIZ-HZPDHXFCSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655730 695705204 /nfs/dbraw/zinc/70/52/04/695705204.db2.gz YAYSTBCLZBUXIZ-HZPDHXFCSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655730 695705206 /nfs/dbraw/zinc/70/52/06/695705206.db2.gz YAYSTBCLZBUXIZ-HZPDHXFCSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974681846 695710488 /nfs/dbraw/zinc/71/04/88/695710488.db2.gz MJHPMYVYGMFTHO-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000974681846 695710489 /nfs/dbraw/zinc/71/04/89/695710489.db2.gz MJHPMYVYGMFTHO-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681846 695710490 /nfs/dbraw/zinc/71/04/90/695710490.db2.gz MJHPMYVYGMFTHO-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000974681846 695710491 /nfs/dbraw/zinc/71/04/91/695710491.db2.gz MJHPMYVYGMFTHO-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974973901 695771181 /nfs/dbraw/zinc/77/11/81/695771181.db2.gz QOXQHDZBHFZMBZ-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974973901 695771183 /nfs/dbraw/zinc/77/11/83/695771183.db2.gz QOXQHDZBHFZMBZ-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000974973901 695771184 /nfs/dbraw/zinc/77/11/84/695771184.db2.gz QOXQHDZBHFZMBZ-JYJNAYRXSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977500252 696190493 /nfs/dbraw/zinc/19/04/93/696190493.db2.gz PXXHCBBXKSNBJX-INIZCTEOSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977500252 696190496 /nfs/dbraw/zinc/19/04/96/696190496.db2.gz PXXHCBBXKSNBJX-INIZCTEOSA-N 2 1 314.433 1.611 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C(C)(C)C1 ZINC000977616696 696235921 /nfs/dbraw/zinc/23/59/21/696235921.db2.gz OSTMBYSTMYPUQL-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC000977616696 696235923 /nfs/dbraw/zinc/23/59/23/696235923.db2.gz OSTMBYSTMYPUQL-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC000977616696 696235925 /nfs/dbraw/zinc/23/59/25/696235925.db2.gz OSTMBYSTMYPUQL-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC000977616696 696235928 /nfs/dbraw/zinc/23/59/28/696235928.db2.gz OSTMBYSTMYPUQL-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980154153 696695204 /nfs/dbraw/zinc/69/52/04/696695204.db2.gz ZKGIDDFSXQAJGF-JYJNAYRXSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980154153 696695205 /nfs/dbraw/zinc/69/52/05/696695205.db2.gz ZKGIDDFSXQAJGF-JYJNAYRXSA-N 2 1 300.406 1.041 20 30 DDEDMP C=C(C)C[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)C1 ZINC000982013209 697002704 /nfs/dbraw/zinc/00/27/04/697002704.db2.gz OEQGDQHDOBVSTH-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013209 697002707 /nfs/dbraw/zinc/00/27/07/697002707.db2.gz OEQGDQHDOBVSTH-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C2)C1 ZINC000982013209 697002712 /nfs/dbraw/zinc/00/27/12/697002712.db2.gz OEQGDQHDOBVSTH-JKSUJKDBSA-N 2 1 305.466 1.685 20 30 DDEDMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC000982013534 697003487 /nfs/dbraw/zinc/00/34/87/697003487.db2.gz UUYSGMYDOSTDFS-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982013534 697003489 /nfs/dbraw/zinc/00/34/89/697003489.db2.gz UUYSGMYDOSTDFS-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1 ZINC000982013534 697003491 /nfs/dbraw/zinc/00/34/91/697003491.db2.gz UUYSGMYDOSTDFS-MRXNPFEDSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000981365046 697076363 /nfs/dbraw/zinc/07/63/63/697076363.db2.gz GQAOFLDCIMHSHF-ABHNRTSZSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000981365046 697076365 /nfs/dbraw/zinc/07/63/65/697076365.db2.gz GQAOFLDCIMHSHF-ABHNRTSZSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000981365046 697076368 /nfs/dbraw/zinc/07/63/68/697076368.db2.gz GQAOFLDCIMHSHF-ABHNRTSZSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CC(C)C2)CC1 ZINC000981365046 697076371 /nfs/dbraw/zinc/07/63/71/697076371.db2.gz GQAOFLDCIMHSHF-ABHNRTSZSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC2CC(C)C2)CC1 ZINC000981365046 697076372 /nfs/dbraw/zinc/07/63/72/697076372.db2.gz GQAOFLDCIMHSHF-ABHNRTSZSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298011 697086952 /nfs/dbraw/zinc/08/69/52/697086952.db2.gz XNAHGPZAQSVASP-HDICACEKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298011 697086955 /nfs/dbraw/zinc/08/69/55/697086955.db2.gz XNAHGPZAQSVASP-HDICACEKSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298011 697086957 /nfs/dbraw/zinc/08/69/57/697086957.db2.gz XNAHGPZAQSVASP-HDICACEKSA-N 2 1 303.450 1.274 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000303788083 698607053 /nfs/dbraw/zinc/60/70/53/698607053.db2.gz TWIPUKBJYRCMEU-INIZCTEOSA-N 2 1 306.454 1.490 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000303872138 698608374 /nfs/dbraw/zinc/60/83/74/698608374.db2.gz BUBPERIVVPVADY-BZUAXINKSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000303872138 698608377 /nfs/dbraw/zinc/60/83/77/698608377.db2.gz BUBPERIVVPVADY-BZUAXINKSA-N 3 1 309.502 1.495 20 30 DDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000303872138 698608380 /nfs/dbraw/zinc/60/83/80/698608380.db2.gz BUBPERIVVPVADY-BZUAXINKSA-N 3 1 309.502 1.495 20 30 DDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000303971127 698612026 /nfs/dbraw/zinc/61/20/26/698612026.db2.gz DFYCFJYZSZZWHA-CQSZACIVSA-N 2 1 306.410 1.533 20 30 DDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000398144936 699118959 /nfs/dbraw/zinc/11/89/59/699118959.db2.gz NQBLYVGNZDOXLZ-NVXWUHKLSA-N 2 1 314.433 1.516 20 30 DDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000398144936 699118960 /nfs/dbraw/zinc/11/89/60/699118960.db2.gz NQBLYVGNZDOXLZ-NVXWUHKLSA-N 2 1 314.433 1.516 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990788083 699159798 /nfs/dbraw/zinc/15/97/98/699159798.db2.gz GMTHUIOZRKMLGB-YFHUEUNASA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990788083 699159799 /nfs/dbraw/zinc/15/97/99/699159799.db2.gz GMTHUIOZRKMLGB-YFHUEUNASA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC000990788083 699159801 /nfs/dbraw/zinc/15/98/01/699159801.db2.gz GMTHUIOZRKMLGB-YFHUEUNASA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4cncn4C3)CCC[C@@H]12 ZINC000991468047 699330363 /nfs/dbraw/zinc/33/03/63/699330363.db2.gz BEKLXFLWSRMPED-QGPMSJSTSA-N 2 1 312.417 1.192 20 30 DDEDMP C#Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000849038151 703613779 /nfs/dbraw/zinc/61/37/79/703613779.db2.gz JDSBJMRBKFREBL-UHFFFAOYSA-N 2 1 300.406 1.004 20 30 DDEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000852863596 704152535 /nfs/dbraw/zinc/15/25/35/704152535.db2.gz HDPIYWWSSKHCAM-UHFFFAOYSA-N 2 1 303.450 1.466 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876715586 705835027 /nfs/dbraw/zinc/83/50/27/705835027.db2.gz QDQUFDNYCYNFBF-XQQFMLRXSA-N 2 1 317.861 1.460 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876715586 705835030 /nfs/dbraw/zinc/83/50/30/705835030.db2.gz QDQUFDNYCYNFBF-XQQFMLRXSA-N 2 1 317.861 1.460 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[N@@H+]1C1CC1 ZINC000876782554 705875237 /nfs/dbraw/zinc/87/52/37/705875237.db2.gz QQXCOOCCPOUVLV-HNJNHCNJSA-N 2 1 324.428 1.486 20 30 DDEDMP C[C@@H]1C[C@H](NC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[N@H+]1C1CC1 ZINC000876782554 705875239 /nfs/dbraw/zinc/87/52/39/705875239.db2.gz QQXCOOCCPOUVLV-HNJNHCNJSA-N 2 1 324.428 1.486 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000836347733 707444392 /nfs/dbraw/zinc/44/43/92/707444392.db2.gz IUDQGMDHLCGJRG-BRWVUGGUSA-N 2 1 322.497 1.607 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000836347729 707444556 /nfs/dbraw/zinc/44/45/56/707444556.db2.gz IUDQGMDHLCGJRG-BBWFWOEESA-N 2 1 322.497 1.607 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000836347729 707444560 /nfs/dbraw/zinc/44/45/60/707444560.db2.gz IUDQGMDHLCGJRG-BBWFWOEESA-N 2 1 322.497 1.607 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000836347729 707444564 /nfs/dbraw/zinc/44/45/64/707444564.db2.gz IUDQGMDHLCGJRG-BBWFWOEESA-N 2 1 322.497 1.607 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000888561006 709340495 /nfs/dbraw/zinc/34/04/95/709340495.db2.gz IMCLLHXQJMUMRO-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC)C[NH+]2CCCC2)C1 ZINC000888561006 709340497 /nfs/dbraw/zinc/34/04/97/709340497.db2.gz IMCLLHXQJMUMRO-HOTGVXAUSA-N 2 1 306.454 1.258 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000890364482 709837488 /nfs/dbraw/zinc/83/74/88/709837488.db2.gz ASQIWPCPKSJXDA-WMZOPIPTSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000890364482 709837491 /nfs/dbraw/zinc/83/74/91/709837491.db2.gz ASQIWPCPKSJXDA-WMZOPIPTSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000890364482 709837492 /nfs/dbraw/zinc/83/74/92/709837492.db2.gz ASQIWPCPKSJXDA-WMZOPIPTSA-N 2 1 318.465 1.211 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000890364482 709837495 /nfs/dbraw/zinc/83/74/95/709837495.db2.gz ASQIWPCPKSJXDA-WMZOPIPTSA-N 2 1 318.465 1.211 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000901160742 709951714 /nfs/dbraw/zinc/95/17/14/709951714.db2.gz YUYCILMZKMVFHZ-DOTOQJQBSA-N 2 1 305.466 1.970 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894228633 711025232 /nfs/dbraw/zinc/02/52/32/711025232.db2.gz GZYONDKCANWEAQ-OLZOCXBDSA-N 2 1 302.365 1.671 20 30 DDEDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000894376252 711094925 /nfs/dbraw/zinc/09/49/25/711094925.db2.gz RGNGQMAQRWQWLL-UHFFFAOYSA-N 2 1 321.856 1.724 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=S)NC[C@@H]2CCC[N@H+]2CC)C1 ZINC000905572827 712082648 /nfs/dbraw/zinc/08/26/48/712082648.db2.gz ZHPTZRMZCYTKFM-CABCVRRESA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=S)NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000905572827 712082649 /nfs/dbraw/zinc/08/26/49/712082649.db2.gz ZHPTZRMZCYTKFM-CABCVRRESA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=S)NC[C@@H]2CCC[NH+]2CC)C1 ZINC000905572827 712082651 /nfs/dbraw/zinc/08/26/51/712082651.db2.gz ZHPTZRMZCYTKFM-CABCVRRESA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=S)NC[C@@H]2CCC[NH+]2CC)C1 ZINC000905572827 712082652 /nfs/dbraw/zinc/08/26/52/712082652.db2.gz ZHPTZRMZCYTKFM-CABCVRRESA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC=C(C)C)CC2)CC1 ZINC000957768332 716034654 /nfs/dbraw/zinc/03/46/54/716034654.db2.gz XVBUJEKNCJTTPF-UHFFFAOYSA-N 2 1 303.450 1.442 20 30 DDEDMP C=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000960268718 716474009 /nfs/dbraw/zinc/47/40/09/716474009.db2.gz NRGGLOUWPNMJFR-MOIQIXESSA-N 2 1 313.445 1.884 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000961224641 716868823 /nfs/dbraw/zinc/86/88/23/716868823.db2.gz YPNSSEBERSPMGL-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279436 716893185 /nfs/dbraw/zinc/89/31/85/716893185.db2.gz DNBRMJVVTMUOGZ-IAGOWNOFSA-N 2 1 314.433 1.385 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000961279436 716893189 /nfs/dbraw/zinc/89/31/89/716893189.db2.gz DNBRMJVVTMUOGZ-IAGOWNOFSA-N 2 1 314.433 1.385 20 30 DDEDMP C=C(C)CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000961593666 717020822 /nfs/dbraw/zinc/02/08/22/717020822.db2.gz CPKQAXWFLKCMQF-SMLCLMEVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961593666 717020826 /nfs/dbraw/zinc/02/08/26/717020826.db2.gz CPKQAXWFLKCMQF-SMLCLMEVSA-N 2 1 305.466 1.729 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000961593666 717020831 /nfs/dbraw/zinc/02/08/31/717020831.db2.gz CPKQAXWFLKCMQF-SMLCLMEVSA-N 2 1 305.466 1.729 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026465 717079056 /nfs/dbraw/zinc/07/90/56/717079056.db2.gz KMAONTWSRPJBKP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026465 717079059 /nfs/dbraw/zinc/07/90/59/717079059.db2.gz KMAONTWSRPJBKP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941026465 717079063 /nfs/dbraw/zinc/07/90/63/717079063.db2.gz KMAONTWSRPJBKP-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000962244174 717370263 /nfs/dbraw/zinc/37/02/63/717370263.db2.gz NAPMRMGQSRADHU-FVQHAEBGSA-N 2 1 303.450 1.341 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC000942171526 717521950 /nfs/dbraw/zinc/52/19/50/717521950.db2.gz BFCLCUDWQIOOPJ-SJORKVTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=C)C)C[C@H]2C)CC1 ZINC000945184206 718416758 /nfs/dbraw/zinc/41/67/58/718416758.db2.gz VOZNJRLTEWYRBV-AEFFLSMTSA-N 2 1 317.477 1.734 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC[C@@H]2C1 ZINC000946586752 718843054 /nfs/dbraw/zinc/84/30/54/718843054.db2.gz VARZRBJRJXGBSI-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586752 718843058 /nfs/dbraw/zinc/84/30/58/718843058.db2.gz VARZRBJRJXGBSI-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)CC[C@@H]2C1 ZINC000946586752 718843065 /nfs/dbraw/zinc/84/30/65/718843065.db2.gz VARZRBJRJXGBSI-KSZLIROESA-N 2 1 317.477 1.663 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595188 718846910 /nfs/dbraw/zinc/84/69/10/718846910.db2.gz MJTHQTBVOWNBLR-ZJPYXAASSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595188 718846915 /nfs/dbraw/zinc/84/69/15/718846915.db2.gz MJTHQTBVOWNBLR-ZJPYXAASSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595188 718846920 /nfs/dbraw/zinc/84/69/20/718846920.db2.gz MJTHQTBVOWNBLR-ZJPYXAASSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C[C@H]1C ZINC000947662358 719238979 /nfs/dbraw/zinc/23/89/79/719238979.db2.gz HLSHHQFHRFCJNB-GDBMZVCRSA-N 2 1 317.433 1.947 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000947796795 719272415 /nfs/dbraw/zinc/27/24/15/719272415.db2.gz RWUFDGCEWMLQDJ-GOEBONIOSA-N 2 1 319.453 1.213 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000968378309 719544321 /nfs/dbraw/zinc/54/43/21/719544321.db2.gz PKGBBNFXULSORT-DOTOQJQBSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000948673573 719636372 /nfs/dbraw/zinc/63/63/72/719636372.db2.gz CFNIZGGLLUSAJZ-MRXNPFEDSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820218 719730004 /nfs/dbraw/zinc/73/00/04/719730004.db2.gz CAHLJJWNKHAQMF-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000948820218 719730008 /nfs/dbraw/zinc/73/00/08/719730008.db2.gz CAHLJJWNKHAQMF-MRXNPFEDSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](CC(=C)C)CC[C@H]2C)CC1 ZINC000968682173 719734246 /nfs/dbraw/zinc/73/42/46/719734246.db2.gz OYVVYEVPDPOWFJ-AEFFLSMTSA-N 2 1 317.477 1.734 20 30 DDEDMP C=CC[N@@H+]1CCOC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000949386000 720052943 /nfs/dbraw/zinc/05/29/43/720052943.db2.gz LDMOVCXVWJRCMG-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCOC2(CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000949386000 720052947 /nfs/dbraw/zinc/05/29/47/720052947.db2.gz LDMOVCXVWJRCMG-MRXNPFEDSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[NH+]1CC(N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000952442019 721449948 /nfs/dbraw/zinc/44/99/48/721449948.db2.gz UVAMXKQFGPKVRU-UHFFFAOYSA-N 2 1 319.453 1.167 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(=C)C)C2)CC1 ZINC001023762011 735450177 /nfs/dbraw/zinc/45/01/77/735450177.db2.gz OYOFPWZJPJVDJM-KRWDZBQOSA-N 2 1 317.477 1.736 20 30 DDEDMP C#CC[NH+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[N@H+](C)C2CCC2)C1 ZINC001039214325 733252043 /nfs/dbraw/zinc/25/20/43/733252043.db2.gz OFJALPZKTIMOLL-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214325 733252046 /nfs/dbraw/zinc/25/20/46/733252046.db2.gz OFJALPZKTIMOLL-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001039214325 733252050 /nfs/dbraw/zinc/25/20/50/733252050.db2.gz OFJALPZKTIMOLL-SJLPKXTDSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cncc2C)C1 ZINC001021635371 733389820 /nfs/dbraw/zinc/38/98/20/733389820.db2.gz KBCLRISUAMNAJO-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635371 733389822 /nfs/dbraw/zinc/38/98/22/733389822.db2.gz KBCLRISUAMNAJO-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635371 733389825 /nfs/dbraw/zinc/38/98/25/733389825.db2.gz KBCLRISUAMNAJO-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737059 733497381 /nfs/dbraw/zinc/49/73/81/733497381.db2.gz QOLKGUYQBQXTDL-DLBZAZTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422274 734783703 /nfs/dbraw/zinc/78/37/03/734783703.db2.gz JQXZSFIMOFNWIY-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001098571942 734872136 /nfs/dbraw/zinc/87/21/36/734872136.db2.gz ZGAJUVMRTMCKEA-HZPDHXFCSA-N 2 1 323.481 1.331 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001023372556 735203234 /nfs/dbraw/zinc/20/32/34/735203234.db2.gz VEAIZVZBUASDNS-RDJZCZTQSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(c2ccccc2)[NH+](C)C)C1 ZINC000972704592 735552881 /nfs/dbraw/zinc/55/28/81/735552881.db2.gz TXGRHNJINCGJEU-MJGOQNOKSA-N 2 1 313.445 1.629 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CCF)CC1 ZINC001024812246 736107714 /nfs/dbraw/zinc/10/77/14/736107714.db2.gz MQYNFGOKCYHBBS-MRXNPFEDSA-N 2 1 309.429 1.272 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCF)CC1 ZINC001024812246 736107715 /nfs/dbraw/zinc/10/77/15/736107715.db2.gz MQYNFGOKCYHBBS-MRXNPFEDSA-N 2 1 309.429 1.272 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001019772859 736920480 /nfs/dbraw/zinc/92/04/80/736920480.db2.gz USHGRVNWAOUFBB-SJORKVTESA-N 2 1 312.417 1.200 20 30 DDEDMP C=CCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105016900 737459996 /nfs/dbraw/zinc/45/99/96/737459996.db2.gz GCKDPHUBAVEKLD-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C#CC[NH2+]C1CCC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001026560860 737660040 /nfs/dbraw/zinc/66/00/40/737660040.db2.gz HRISXMLOSTVJHP-JMLCCBQJSA-N 2 1 323.456 1.849 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC2CC2)C1 ZINC001027446883 738302194 /nfs/dbraw/zinc/30/21/94/738302194.db2.gz WFTNFTQFJIIWLZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001027446883 738302197 /nfs/dbraw/zinc/30/21/97/738302197.db2.gz WFTNFTQFJIIWLZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC2)C1 ZINC001027446883 738302202 /nfs/dbraw/zinc/30/22/02/738302202.db2.gz WFTNFTQFJIIWLZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC2CC2)C1 ZINC001027446883 738302205 /nfs/dbraw/zinc/30/22/05/738302205.db2.gz WFTNFTQFJIIWLZ-SJORKVTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001027459811 738311827 /nfs/dbraw/zinc/31/18/27/738311827.db2.gz CBVRZGRDWKBIAU-HNNXBMFYSA-N 2 1 302.422 1.483 20 30 DDEDMP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093332 739022723 /nfs/dbraw/zinc/02/27/23/739022723.db2.gz KEBRDTRZWVZIPC-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028093332 739022727 /nfs/dbraw/zinc/02/27/27/739022727.db2.gz KEBRDTRZWVZIPC-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028093332 739022730 /nfs/dbraw/zinc/02/27/30/739022730.db2.gz KEBRDTRZWVZIPC-HOTGVXAUSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041369673 739104164 /nfs/dbraw/zinc/10/41/64/739104164.db2.gz BGILALDVPGXDLL-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041369673 739104166 /nfs/dbraw/zinc/10/41/66/739104166.db2.gz BGILALDVPGXDLL-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041369673 739104170 /nfs/dbraw/zinc/10/41/70/739104170.db2.gz BGILALDVPGXDLL-PKOBYXMFSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001041369668 739104501 /nfs/dbraw/zinc/10/45/01/739104501.db2.gz BGILALDVPGXDLL-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041369668 739104503 /nfs/dbraw/zinc/10/45/03/739104503.db2.gz BGILALDVPGXDLL-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001041369668 739104507 /nfs/dbraw/zinc/10/45/07/739104507.db2.gz BGILALDVPGXDLL-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP Cc1ccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1C#N ZINC001139725852 739124359 /nfs/dbraw/zinc/12/43/59/739124359.db2.gz GPTIZBALMOZAJN-UHFFFAOYSA-N 2 1 314.433 1.463 20 30 DDEDMP C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000997976840 751436255 /nfs/dbraw/zinc/43/62/55/751436255.db2.gz OGMLHIRSMZRDQM-JKSUJKDBSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001028542349 739647842 /nfs/dbraw/zinc/64/78/42/739647842.db2.gz OHIUWLHRBQITFT-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001028542349 739647844 /nfs/dbraw/zinc/64/78/44/739647844.db2.gz OHIUWLHRBQITFT-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001028542349 739647848 /nfs/dbraw/zinc/64/78/48/739647848.db2.gz OHIUWLHRBQITFT-IAGOWNOFSA-N 2 1 317.477 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001028587979 739703633 /nfs/dbraw/zinc/70/36/33/739703633.db2.gz UKTWQHQKFFFWIJ-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001028587979 739703637 /nfs/dbraw/zinc/70/36/37/739703637.db2.gz UKTWQHQKFFFWIJ-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP CC#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001028587979 739703639 /nfs/dbraw/zinc/70/36/39/739703639.db2.gz UKTWQHQKFFFWIJ-IAGOWNOFSA-N 2 1 305.466 1.426 20 30 DDEDMP C=CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001028593515 739751518 /nfs/dbraw/zinc/75/15/18/739751518.db2.gz ZXKXQVNGCGEGJC-NVXWUHKLSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001028593515 739751523 /nfs/dbraw/zinc/75/15/23/739751523.db2.gz ZXKXQVNGCGEGJC-NVXWUHKLSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001028593515 739751527 /nfs/dbraw/zinc/75/15/27/739751527.db2.gz ZXKXQVNGCGEGJC-NVXWUHKLSA-N 2 1 321.465 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088090245 741019276 /nfs/dbraw/zinc/01/92/76/741019276.db2.gz FDFQVIJPNAIBSV-SJORKVTESA-N 2 1 305.466 1.685 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109557 741036101 /nfs/dbraw/zinc/03/61/01/741036101.db2.gz LKRFSUHCDRSMKH-ILXRZTDVSA-N 2 1 313.873 1.859 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]2C1 ZINC001088109557 741036104 /nfs/dbraw/zinc/03/61/04/741036104.db2.gz LKRFSUHCDRSMKH-ILXRZTDVSA-N 2 1 313.873 1.859 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001088150581 741065222 /nfs/dbraw/zinc/06/52/22/741065222.db2.gz LQFCBYCNERPPMT-SJORKVTESA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCOCC[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168138965 741566409 /nfs/dbraw/zinc/56/64/09/741566409.db2.gz VXSHUVHXWMSCHN-HNNXBMFYSA-N 2 1 309.454 1.017 20 30 DDEDMP C#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001105517859 742097072 /nfs/dbraw/zinc/09/70/72/742097072.db2.gz LLRLMEXATFSILF-SJORKVTESA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4nccn4C3)[C@@H]2C1 ZINC001075966298 742288277 /nfs/dbraw/zinc/28/82/77/742288277.db2.gz XDUXXNBOIRPPML-ARFHVFGLSA-N 2 1 314.433 1.554 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001035610247 751717030 /nfs/dbraw/zinc/71/70/30/751717030.db2.gz VOJRBPYWGLHIID-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035610247 751717033 /nfs/dbraw/zinc/71/70/33/751717033.db2.gz VOJRBPYWGLHIID-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001035610247 751717036 /nfs/dbraw/zinc/71/70/36/751717036.db2.gz VOJRBPYWGLHIID-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001083524329 742461370 /nfs/dbraw/zinc/46/13/70/742461370.db2.gz QHLXNFDKJPGOCH-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524329 742461373 /nfs/dbraw/zinc/46/13/73/742461373.db2.gz QHLXNFDKJPGOCH-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001083524329 742461376 /nfs/dbraw/zinc/46/13/76/742461376.db2.gz QHLXNFDKJPGOCH-ZACQAIPSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884189 743377462 /nfs/dbraw/zinc/37/74/62/743377462.db2.gz CZKIGZXWEUEDDC-YFHUEUNASA-N 2 1 323.481 1.356 20 30 DDEDMP C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884189 743377471 /nfs/dbraw/zinc/37/74/71/743377471.db2.gz CZKIGZXWEUEDDC-YFHUEUNASA-N 2 1 323.481 1.356 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088860902 744247780 /nfs/dbraw/zinc/24/77/80/744247780.db2.gz GTXHKODFEIYJEZ-UNEWFSDZSA-N 2 1 314.433 1.356 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H]1C ZINC001088860902 744247783 /nfs/dbraw/zinc/24/77/83/744247783.db2.gz GTXHKODFEIYJEZ-UNEWFSDZSA-N 2 1 314.433 1.356 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001186824658 744454518 /nfs/dbraw/zinc/45/45/18/744454518.db2.gz DQPALTVRRWAPSB-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001089058796 744479244 /nfs/dbraw/zinc/47/92/44/744479244.db2.gz JMWDGJJXLKCUBH-QAPCUYQASA-N 2 1 313.445 1.964 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H]2C)CC1 ZINC001089060034 744479969 /nfs/dbraw/zinc/47/99/69/744479969.db2.gz PDIYPHHSRPGIBC-AEFFLSMTSA-N 2 1 319.493 1.957 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001188107467 744660865 /nfs/dbraw/zinc/66/08/65/744660865.db2.gz QLQGIWJWELURSA-HRCADAONSA-N 2 1 309.429 1.222 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992262250 744733396 /nfs/dbraw/zinc/73/33/96/744733396.db2.gz RHHQFGQUEBFJRT-QAPCUYQASA-N 2 1 314.433 1.753 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3C(C)C)CCC[C@@H]12 ZINC000992262250 744733398 /nfs/dbraw/zinc/73/33/98/744733398.db2.gz RHHQFGQUEBFJRT-QAPCUYQASA-N 2 1 314.433 1.753 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992286798 744751743 /nfs/dbraw/zinc/75/17/43/744751743.db2.gz OLXSJGBNEVRQFX-IEBWSBKVSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190176348 745140767 /nfs/dbraw/zinc/14/07/67/745140767.db2.gz FPUUEUQASRVADL-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190176348 745140772 /nfs/dbraw/zinc/14/07/72/745140772.db2.gz FPUUEUQASRVADL-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212429 745154140 /nfs/dbraw/zinc/15/41/40/745154140.db2.gz BWVOYRQTCXOJRU-ZWKOTPCHSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001190654462 745285634 /nfs/dbraw/zinc/28/56/34/745285634.db2.gz KAKSGAMWSNALGX-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001190654462 745285638 /nfs/dbraw/zinc/28/56/38/745285638.db2.gz KAKSGAMWSNALGX-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001190654462 745285642 /nfs/dbraw/zinc/28/56/42/745285642.db2.gz KAKSGAMWSNALGX-IRXDYDNUSA-N 2 1 305.466 1.520 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655530 745286127 /nfs/dbraw/zinc/28/61/27/745286127.db2.gz PVLWEGWUJIKNAO-CVEARBPZSA-N 2 1 309.454 1.062 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001190656358 745286624 /nfs/dbraw/zinc/28/66/24/745286624.db2.gz SJASUVNFVBKNJH-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001190656358 745286626 /nfs/dbraw/zinc/28/66/26/745286626.db2.gz SJASUVNFVBKNJH-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001190656358 745286628 /nfs/dbraw/zinc/28/66/28/745286628.db2.gz SJASUVNFVBKNJH-IRXDYDNUSA-N 2 1 305.466 1.805 20 30 DDEDMP CC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001191921337 745645510 /nfs/dbraw/zinc/64/55/10/745645510.db2.gz ALYUTGSIKMUCRL-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001191946874 745653261 /nfs/dbraw/zinc/65/32/61/745653261.db2.gz FYWZZMLYUOGSHF-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001191946874 745653263 /nfs/dbraw/zinc/65/32/63/745653263.db2.gz FYWZZMLYUOGSHF-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946874 745653265 /nfs/dbraw/zinc/65/32/65/745653265.db2.gz FYWZZMLYUOGSHF-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001191946874 745653267 /nfs/dbraw/zinc/65/32/67/745653267.db2.gz FYWZZMLYUOGSHF-IRXDYDNUSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC001089336058 745786043 /nfs/dbraw/zinc/78/60/43/745786043.db2.gz RPYMHFBHRHKAJB-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001089336058 745786045 /nfs/dbraw/zinc/78/60/45/745786045.db2.gz RPYMHFBHRHKAJB-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001192845432 745914000 /nfs/dbraw/zinc/91/40/00/745914000.db2.gz IFHKUUICZVHMBF-GOSISDBHSA-N 2 1 313.445 1.918 20 30 DDEDMP CC#CC[N@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193098867 745977456 /nfs/dbraw/zinc/97/74/56/745977456.db2.gz IQMSGPTXDBQGHM-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001193098867 745977457 /nfs/dbraw/zinc/97/74/57/745977457.db2.gz IQMSGPTXDBQGHM-KRWDZBQOSA-N 2 1 323.400 1.437 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993337499 746009320 /nfs/dbraw/zinc/00/93/20/746009320.db2.gz ZQVGGZGQZZGORF-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993337499 746009325 /nfs/dbraw/zinc/00/93/25/746009325.db2.gz ZQVGGZGQZZGORF-CVEARBPZSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001099262704 746027899 /nfs/dbraw/zinc/02/78/99/746027899.db2.gz JGMRMRLOHNWFDV-CHWSQXEVSA-N 2 1 317.355 1.083 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC000993475165 746165849 /nfs/dbraw/zinc/16/58/49/746165849.db2.gz FJWVYJUTMSANRI-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821015 746208242 /nfs/dbraw/zinc/20/82/42/746208242.db2.gz BOTCZAWSVONGGN-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821015 746208245 /nfs/dbraw/zinc/20/82/45/746208245.db2.gz BOTCZAWSVONGGN-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821015 746208247 /nfs/dbraw/zinc/20/82/47/746208247.db2.gz BOTCZAWSVONGGN-IAGOWNOFSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCC[N@H+]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001195874148 746727203 /nfs/dbraw/zinc/72/72/03/746727203.db2.gz RQAFZRCDOQAJLL-KRWDZBQOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001089483882 747061254 /nfs/dbraw/zinc/06/12/54/747061254.db2.gz PCXVAWBRGMEEAV-QGZVFWFLSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCc3nccn32)C1 ZINC001007495022 752172196 /nfs/dbraw/zinc/17/21/96/752172196.db2.gz HHSAZUHQDSMHFU-HUUCEWRRSA-N 2 1 300.406 1.364 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCc3nccn32)C1 ZINC001007495021 752172845 /nfs/dbraw/zinc/17/28/45/752172845.db2.gz HHSAZUHQDSMHFU-GJZGRUSLSA-N 2 1 300.406 1.364 20 30 DDEDMP C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001031727804 747567371 /nfs/dbraw/zinc/56/73/71/747567371.db2.gz UOBSBBJIMNNDQP-QGZVFWFLSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200477365 748266201 /nfs/dbraw/zinc/26/62/01/748266201.db2.gz AFBIKEKJQIIXOU-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634606 748298187 /nfs/dbraw/zinc/29/81/87/748298187.db2.gz HDLHHWCBTHDYHR-DLBZAZTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCO1 ZINC001201225657 748451575 /nfs/dbraw/zinc/45/15/75/748451575.db2.gz MZLHIURNHNGWFF-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001201862874 748612993 /nfs/dbraw/zinc/61/29/93/748612993.db2.gz HFIYUVQKLFMSRG-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCCO1 ZINC001202066778 748674037 /nfs/dbraw/zinc/67/40/37/748674037.db2.gz ALGXMHDJZQBBST-MRXNPFEDSA-N 2 1 320.437 1.365 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033296663 749139420 /nfs/dbraw/zinc/13/94/20/749139420.db2.gz XDKINJUPZOWALZ-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295344 749143611 /nfs/dbraw/zinc/14/36/11/749143611.db2.gz KTJZIMZPIKAQBW-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295344 749143616 /nfs/dbraw/zinc/14/36/16/749143616.db2.gz KTJZIMZPIKAQBW-DLBZAZTESA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC000995922052 749289656 /nfs/dbraw/zinc/28/96/56/749289656.db2.gz JFJSGLFJBAPLMZ-JKSUJKDBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(C)C)C(C)(C)C1 ZINC000995922052 749289659 /nfs/dbraw/zinc/28/96/59/749289659.db2.gz JFJSGLFJBAPLMZ-JKSUJKDBSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001095424993 749885303 /nfs/dbraw/zinc/88/53/03/749885303.db2.gz AUJGYEFJTCXQEO-NCOADZHNSA-N 2 1 301.434 1.073 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001005385149 749939184 /nfs/dbraw/zinc/93/91/84/749939184.db2.gz PWVCQMPRXISWSO-QGZVFWFLSA-N 2 1 305.466 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033889615 750039094 /nfs/dbraw/zinc/03/90/94/750039094.db2.gz ZVLOAXBLHARQGC-INIZCTEOSA-N 2 1 310.401 1.894 20 30 DDEDMP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000996824133 750180965 /nfs/dbraw/zinc/18/09/65/750180965.db2.gz ZOBSNDMYTVTQCB-HQVVEAJESA-N 2 1 319.449 1.006 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+]2CCCC2)C1 ZINC001089907896 750820753 /nfs/dbraw/zinc/82/07/53/750820753.db2.gz OWNDHLLTELMGIV-XSLAGTTESA-N 2 1 317.477 1.827 20 30 DDEDMP C=CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001108159803 750889459 /nfs/dbraw/zinc/88/94/59/750889459.db2.gz AIUJXCISNRFBDP-XYJFISCASA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108159803 750889469 /nfs/dbraw/zinc/88/94/69/750889469.db2.gz AIUJXCISNRFBDP-XYJFISCASA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001108159803 750889478 /nfs/dbraw/zinc/88/94/78/750889478.db2.gz AIUJXCISNRFBDP-XYJFISCASA-N 2 1 323.481 1.500 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001000682560 762085407 /nfs/dbraw/zinc/08/54/07/762085407.db2.gz JQCSNYRGNWCVLB-ROUUACIJSA-N 2 1 315.461 1.632 20 30 DDEDMP CC#CC[NH+]1CC=C(CNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001000682560 762085418 /nfs/dbraw/zinc/08/54/18/762085418.db2.gz JQCSNYRGNWCVLB-ROUUACIJSA-N 2 1 315.461 1.632 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001032488868 751037205 /nfs/dbraw/zinc/03/72/05/751037205.db2.gz QAIVQEZDXDNAFQ-IRXDYDNUSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001032488868 751037209 /nfs/dbraw/zinc/03/72/09/751037209.db2.gz QAIVQEZDXDNAFQ-IRXDYDNUSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488868 751037214 /nfs/dbraw/zinc/03/72/14/751037214.db2.gz QAIVQEZDXDNAFQ-IRXDYDNUSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488868 751037220 /nfs/dbraw/zinc/03/72/20/751037220.db2.gz QAIVQEZDXDNAFQ-IRXDYDNUSA-N 2 1 317.477 1.948 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032538395 751223163 /nfs/dbraw/zinc/22/31/63/751223163.db2.gz PDLFEANXCOPJJF-ULQDDVLXSA-N 2 1 303.450 1.722 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001032538395 751223171 /nfs/dbraw/zinc/22/31/71/751223171.db2.gz PDLFEANXCOPJJF-ULQDDVLXSA-N 2 1 303.450 1.722 20 30 DDEDMP C=CCC[NH+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001035164861 751250728 /nfs/dbraw/zinc/25/07/28/751250728.db2.gz BTQNCODRHYYJTI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035164861 751250731 /nfs/dbraw/zinc/25/07/31/751250731.db2.gz BTQNCODRHYYJTI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C)CC2 ZINC001035164861 751250735 /nfs/dbraw/zinc/25/07/35/751250735.db2.gz BTQNCODRHYYJTI-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@@H+]1CCC[C@@H]1C)CC2 ZINC001035226692 751304139 /nfs/dbraw/zinc/30/41/39/751304139.db2.gz KJPPEQHSFCRYNE-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035226692 751304143 /nfs/dbraw/zinc/30/41/43/751304143.db2.gz KJPPEQHSFCRYNE-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC[C@@H]1C)CC2 ZINC001035226692 751304149 /nfs/dbraw/zinc/30/41/49/751304149.db2.gz KJPPEQHSFCRYNE-INIZCTEOSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000998927646 752369139 /nfs/dbraw/zinc/36/91/39/752369139.db2.gz HSIVKCHTLNHGBD-JCYILVPMSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC2CC2)C1 ZINC000998927646 752369148 /nfs/dbraw/zinc/36/91/48/752369148.db2.gz HSIVKCHTLNHGBD-JCYILVPMSA-N 2 1 303.450 1.463 20 30 DDEDMP C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533204 752784861 /nfs/dbraw/zinc/78/48/61/752784861.db2.gz KONBZINPWLSHAK-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001008533204 752784864 /nfs/dbraw/zinc/78/48/64/752784864.db2.gz KONBZINPWLSHAK-HOTGVXAUSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008751356 752901093 /nfs/dbraw/zinc/90/10/93/752901093.db2.gz ZNOMWCVBYDIHKN-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001008751356 752901098 /nfs/dbraw/zinc/90/10/98/752901098.db2.gz ZNOMWCVBYDIHKN-IAGOWNOFSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614635 753279712 /nfs/dbraw/zinc/27/97/12/753279712.db2.gz YBKXVHCWGJSTSJ-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001009614635 753279719 /nfs/dbraw/zinc/27/97/19/753279719.db2.gz YBKXVHCWGJSTSJ-GOSISDBHSA-N 2 1 313.445 1.966 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001009635829 753292572 /nfs/dbraw/zinc/29/25/72/753292572.db2.gz MOGLZDZWCQMFPB-SFHVURJKSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001078222725 753849998 /nfs/dbraw/zinc/84/99/98/753849998.db2.gz OGCNQHNICVTDPG-IAGOWNOFSA-N 2 1 317.433 1.099 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803558 754117622 /nfs/dbraw/zinc/11/76/22/754117622.db2.gz FAHUWFZMWIMBOE-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001032803558 754117627 /nfs/dbraw/zinc/11/76/27/754117627.db2.gz FAHUWFZMWIMBOE-OKZBNKHCSA-N 2 1 317.477 1.805 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000904461 762324625 /nfs/dbraw/zinc/32/46/25/762324625.db2.gz VSUDWKRQLQMLEK-UHFFFAOYSA-N 2 1 301.434 1.386 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001000904445 762325005 /nfs/dbraw/zinc/32/50/05/762325005.db2.gz VJZHTOOOHVSMRU-UHFFFAOYSA-N 2 1 303.450 1.939 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001038628382 755337402 /nfs/dbraw/zinc/33/74/02/755337402.db2.gz PWPAVUSHBBANHR-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628382 755337404 /nfs/dbraw/zinc/33/74/04/755337404.db2.gz PWPAVUSHBBANHR-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001038628382 755337406 /nfs/dbraw/zinc/33/74/06/755337406.db2.gz PWPAVUSHBBANHR-HZPDHXFCSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC001040241558 762453285 /nfs/dbraw/zinc/45/32/85/762453285.db2.gz PDCUOAREBQTUOT-WMZOPIPTSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015695878 756472484 /nfs/dbraw/zinc/47/24/84/756472484.db2.gz QZKSXITVSQEVOY-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001015695878 756472485 /nfs/dbraw/zinc/47/24/85/756472485.db2.gz QZKSXITVSQEVOY-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001015695878 756472487 /nfs/dbraw/zinc/47/24/87/756472487.db2.gz QZKSXITVSQEVOY-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001015695878 756472489 /nfs/dbraw/zinc/47/24/89/756472489.db2.gz QZKSXITVSQEVOY-RHSMWYFYSA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001040282539 762475739 /nfs/dbraw/zinc/47/57/39/762475739.db2.gz WSTIERQGWMDBDG-IBGZPJMESA-N 2 1 322.412 1.896 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001082555708 756851729 /nfs/dbraw/zinc/85/17/29/756851729.db2.gz FGCQZOMIBOXLDJ-IXDOHACOSA-N 2 1 307.482 1.977 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001082705677 756899078 /nfs/dbraw/zinc/89/90/78/756899078.db2.gz SXSJOFWTXLODOC-UQOMUDLDSA-N 2 1 313.873 1.906 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001016541211 757145912 /nfs/dbraw/zinc/14/59/12/757145912.db2.gz XMBQWIOSVPDJKT-KBPBESRZSA-N 2 1 311.857 1.804 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001040396541 762524290 /nfs/dbraw/zinc/52/42/90/762524290.db2.gz VFSZIAJFICLCKB-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396541 762524294 /nfs/dbraw/zinc/52/42/94/762524294.db2.gz VFSZIAJFICLCKB-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC001040396541 762524299 /nfs/dbraw/zinc/52/42/99/762524299.db2.gz VFSZIAJFICLCKB-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@H]2C1 ZINC001083172991 757176626 /nfs/dbraw/zinc/17/66/26/757176626.db2.gz MHFXPGDGMBAIGA-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@H]2C1 ZINC001083172991 757176627 /nfs/dbraw/zinc/17/66/27/757176627.db2.gz MHFXPGDGMBAIGA-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@H]2C1 ZINC001083172991 757176628 /nfs/dbraw/zinc/17/66/28/757176628.db2.gz MHFXPGDGMBAIGA-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@H]2C1 ZINC001083172991 757176629 /nfs/dbraw/zinc/17/66/29/757176629.db2.gz MHFXPGDGMBAIGA-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097706764 757393682 /nfs/dbraw/zinc/39/36/82/757393682.db2.gz DURBWXYZRNUYOA-WCXIOVBPSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097706764 757393692 /nfs/dbraw/zinc/39/36/92/757393692.db2.gz DURBWXYZRNUYOA-WCXIOVBPSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097706764 757393702 /nfs/dbraw/zinc/39/37/02/757393702.db2.gz DURBWXYZRNUYOA-WCXIOVBPSA-N 2 1 321.465 1.393 20 30 DDEDMP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097706764 757393712 /nfs/dbraw/zinc/39/37/12/757393712.db2.gz DURBWXYZRNUYOA-WCXIOVBPSA-N 2 1 321.465 1.393 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C(C)C)CCO1)C2 ZINC001097711874 757404108 /nfs/dbraw/zinc/40/41/08/757404108.db2.gz CBPFCWFAQBFOCQ-WCVJEAGWSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001097711874 757404112 /nfs/dbraw/zinc/40/41/12/757404112.db2.gz CBPFCWFAQBFOCQ-WCVJEAGWSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001097711874 757404115 /nfs/dbraw/zinc/40/41/15/757404115.db2.gz CBPFCWFAQBFOCQ-WCVJEAGWSA-N 2 1 307.438 1.003 20 30 DDEDMP C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001097711874 757404120 /nfs/dbraw/zinc/40/41/20/757404120.db2.gz CBPFCWFAQBFOCQ-WCVJEAGWSA-N 2 1 307.438 1.003 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001016931719 757486863 /nfs/dbraw/zinc/48/68/63/757486863.db2.gz VQCFAMXPVYEUPC-JKSUJKDBSA-N 2 1 303.450 1.322 20 30 DDEDMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040490434 762557525 /nfs/dbraw/zinc/55/75/25/762557525.db2.gz ASYKXGQUSLPGIF-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040490434 762557529 /nfs/dbraw/zinc/55/75/29/762557529.db2.gz ASYKXGQUSLPGIF-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040490434 762557535 /nfs/dbraw/zinc/55/75/35/762557535.db2.gz ASYKXGQUSLPGIF-AEFFLSMTSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492972 762559396 /nfs/dbraw/zinc/55/93/96/762559396.db2.gz WNMOKDQMGJNYCH-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492972 762559401 /nfs/dbraw/zinc/55/94/01/762559401.db2.gz WNMOKDQMGJNYCH-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001040492972 762559406 /nfs/dbraw/zinc/55/94/06/762559406.db2.gz WNMOKDQMGJNYCH-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[NH+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001040492978 762559509 /nfs/dbraw/zinc/55/95/09/762559509.db2.gz WNMOKDQMGJNYCH-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492978 762559514 /nfs/dbraw/zinc/55/95/14/762559514.db2.gz WNMOKDQMGJNYCH-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001040492978 762559520 /nfs/dbraw/zinc/55/95/20/762559520.db2.gz WNMOKDQMGJNYCH-WMZOPIPTSA-N 2 1 303.450 1.276 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572023 757670761 /nfs/dbraw/zinc/67/07/61/757670761.db2.gz QVGUPOLJJVIRCM-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084572023 757670773 /nfs/dbraw/zinc/67/07/73/757670773.db2.gz QVGUPOLJJVIRCM-HZPDHXFCSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)[C@@H]2C1 ZINC001084853220 757984007 /nfs/dbraw/zinc/98/40/07/757984007.db2.gz XAZCCRBJDYAGPJ-KZNAEPCWSA-N 2 1 317.477 1.663 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001052956551 758009469 /nfs/dbraw/zinc/00/94/69/758009469.db2.gz USZUVJLRRAIJER-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956551 758009476 /nfs/dbraw/zinc/00/94/76/758009476.db2.gz USZUVJLRRAIJER-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001052956551 758009487 /nfs/dbraw/zinc/00/94/87/758009487.db2.gz USZUVJLRRAIJER-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001084953438 758093661 /nfs/dbraw/zinc/09/36/61/758093661.db2.gz LRZQNHQLRHCILH-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953438 758093672 /nfs/dbraw/zinc/09/36/72/758093672.db2.gz LRZQNHQLRHCILH-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001084953438 758093686 /nfs/dbraw/zinc/09/36/86/758093686.db2.gz LRZQNHQLRHCILH-SQNIBIBYSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001084958340 758098904 /nfs/dbraw/zinc/09/89/04/758098904.db2.gz WCLINQFMUHZYMA-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958340 758098912 /nfs/dbraw/zinc/09/89/12/758098912.db2.gz WCLINQFMUHZYMA-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001084958340 758098925 /nfs/dbraw/zinc/09/89/25/758098925.db2.gz WCLINQFMUHZYMA-KURKYZTESA-N 2 1 317.477 1.805 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CCC[NH+]1CCC3)CO2 ZINC001053857495 758891379 /nfs/dbraw/zinc/89/13/79/758891379.db2.gz GSCSROUAWBXMKL-OAHLLOKOSA-N 2 1 319.449 1.150 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001054190412 759275251 /nfs/dbraw/zinc/27/52/51/759275251.db2.gz IXSRIEYIJNGQDD-LJQANCHMSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001054198057 759283608 /nfs/dbraw/zinc/28/36/08/759283608.db2.gz OMVHAFQRGRUDOC-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198057 759283613 /nfs/dbraw/zinc/28/36/13/759283613.db2.gz OMVHAFQRGRUDOC-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001054198057 759283619 /nfs/dbraw/zinc/28/36/19/759283619.db2.gz OMVHAFQRGRUDOC-HKUYNNGSSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C2 ZINC001097974572 760320973 /nfs/dbraw/zinc/32/09/73/760320973.db2.gz RAVKHZMVQQGBFS-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001097974572 760320986 /nfs/dbraw/zinc/32/09/86/760320986.db2.gz RAVKHZMVQQGBFS-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974572 760320997 /nfs/dbraw/zinc/32/09/97/760320997.db2.gz RAVKHZMVQQGBFS-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC[NH+]1C(C)C)C2 ZINC001097974572 760321008 /nfs/dbraw/zinc/32/10/08/760321008.db2.gz RAVKHZMVQQGBFS-WCXIOVBPSA-N 2 1 303.450 1.604 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917074 760525569 /nfs/dbraw/zinc/52/55/69/760525569.db2.gz PLAWUGBJGLZXMD-QGZVFWFLSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001085917074 760525573 /nfs/dbraw/zinc/52/55/73/760525573.db2.gz PLAWUGBJGLZXMD-QGZVFWFLSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038646484 761246582 /nfs/dbraw/zinc/24/65/82/761246582.db2.gz PTYIKVOBFMIHQP-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001038646484 761246588 /nfs/dbraw/zinc/24/65/88/761246588.db2.gz PTYIKVOBFMIHQP-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086456327 761638561 /nfs/dbraw/zinc/63/85/61/761638561.db2.gz BFEASZMIKAAIHK-BZUAXINKSA-N 2 1 309.454 1.156 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001041288272 762936984 /nfs/dbraw/zinc/93/69/84/762936984.db2.gz VHWJJCPWTGRLTI-HKUYNNGSSA-N 2 1 315.461 1.276 20 30 DDEDMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)C1 ZINC001041380286 762991706 /nfs/dbraw/zinc/99/17/06/762991706.db2.gz XKESKTWYRDOHJC-WMZOPIPTSA-N 2 1 305.466 1.520 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cc(C#N)ccc1F ZINC001131380647 768105422 /nfs/dbraw/zinc/10/54/22/768105422.db2.gz VCMYWZGIGIYRSH-UHFFFAOYSA-N 2 1 315.352 1.108 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050140329 763203834 /nfs/dbraw/zinc/20/38/34/763203834.db2.gz LVHYAWRYYNFOIV-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050140329 763203839 /nfs/dbraw/zinc/20/38/39/763203839.db2.gz LVHYAWRYYNFOIV-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001050140329 763203847 /nfs/dbraw/zinc/20/38/47/763203847.db2.gz LVHYAWRYYNFOIV-IXDOHACOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041835410 763388959 /nfs/dbraw/zinc/38/89/59/763388959.db2.gz STCVECGGQDXXFM-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001041835410 763388968 /nfs/dbraw/zinc/38/89/68/763388968.db2.gz STCVECGGQDXXFM-KRWDZBQOSA-N 2 1 302.422 1.692 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523754 763704280 /nfs/dbraw/zinc/70/42/80/763704280.db2.gz ISDUJONNTUCLNX-DLBZAZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC001050523873 763705063 /nfs/dbraw/zinc/70/50/63/763705063.db2.gz KTXHAJCARNGLGR-JKSUJKDBSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001050535729 763725745 /nfs/dbraw/zinc/72/57/45/763725745.db2.gz AOINBSSOCZDMBU-QGZVFWFLSA-N 2 1 317.477 1.809 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001042216678 763778854 /nfs/dbraw/zinc/77/88/54/763778854.db2.gz QMZKIFXHKVFYQE-DOTOQJQBSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)CC1 ZINC001050662623 763885944 /nfs/dbraw/zinc/88/59/44/763885944.db2.gz ACDDEQNOFVGGQJ-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC001090437216 764400851 /nfs/dbraw/zinc/40/08/51/764400851.db2.gz ZQNPCXFRJFHVAE-HZPDHXFCSA-N 2 1 314.389 1.075 20 30 DDEDMP C#CCC[NH+]1CC[C@@]2(C1)CN(C(=O)C[N@H+](C)C(C)C)C[C@@H](C)O2 ZINC001131704186 768273048 /nfs/dbraw/zinc/27/30/48/768273048.db2.gz SCYPDBBSBMSKLJ-SJLPKXTDSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704186 768273051 /nfs/dbraw/zinc/27/30/51/768273051.db2.gz SCYPDBBSBMSKLJ-SJLPKXTDSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](C)C(C)C)C[C@@H](C)O2 ZINC001131704186 768273054 /nfs/dbraw/zinc/27/30/54/768273054.db2.gz SCYPDBBSBMSKLJ-SJLPKXTDSA-N 2 1 321.465 1.042 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)C[NH+](CC)CC)C[C@H](C)O2 ZINC001131692325 768274709 /nfs/dbraw/zinc/27/47/09/768274709.db2.gz GLVPISUUKIBRJH-FUHWJXTLSA-N 2 1 321.465 1.043 20 30 DDEDMP C=CC[NH+]1CC[C@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@@H](C)O2 ZINC001131692033 768275052 /nfs/dbraw/zinc/27/50/52/768275052.db2.gz CPPJLZTUYCCACA-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692033 768275057 /nfs/dbraw/zinc/27/50/57/768275057.db2.gz CPPJLZTUYCCACA-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@@H](C)O2 ZINC001131692033 768275062 /nfs/dbraw/zinc/27/50/62/768275062.db2.gz CPPJLZTUYCCACA-WBVHZDCISA-N 2 1 309.454 1.206 20 30 DDEDMP C=CCC[NH+]1CC[C@@]2(C1)CN(C(=O)CC[N@H+](C)CC)C[C@H](C)O2 ZINC001131692517 768275173 /nfs/dbraw/zinc/27/51/73/768275173.db2.gz HWXJVGRKGBGNSK-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692517 768275178 /nfs/dbraw/zinc/27/51/78/768275178.db2.gz HWXJVGRKGBGNSK-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC[NH+](C)CC)C[C@H](C)O2 ZINC001131692517 768275183 /nfs/dbraw/zinc/27/51/83/768275183.db2.gz HWXJVGRKGBGNSK-FUHWJXTLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001113677755 766005181 /nfs/dbraw/zinc/00/51/81/766005181.db2.gz NQQSXAOFXSPFPT-UHFFFAOYSA-N 2 1 309.454 1.209 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001052653645 766039172 /nfs/dbraw/zinc/03/91/72/766039172.db2.gz OKSUBZFJIVJRHZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001052653645 766039181 /nfs/dbraw/zinc/03/91/81/766039181.db2.gz OKSUBZFJIVJRHZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653645 766039190 /nfs/dbraw/zinc/03/91/90/766039190.db2.gz OKSUBZFJIVJRHZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001052653645 766039199 /nfs/dbraw/zinc/03/91/99/766039199.db2.gz OKSUBZFJIVJRHZ-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001045985352 766762610 /nfs/dbraw/zinc/76/26/10/766762610.db2.gz RYXWGZJXKXUSPL-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001045985352 766762611 /nfs/dbraw/zinc/76/26/11/766762611.db2.gz RYXWGZJXKXUSPL-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC001129856048 767018472 /nfs/dbraw/zinc/01/84/72/767018472.db2.gz MLXSLEMQSGYHQZ-KRWDZBQOSA-N 2 1 314.433 1.638 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC001130419001 767522179 /nfs/dbraw/zinc/52/21/79/767522179.db2.gz GWKPFNDJALKDSV-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C=CCOCC[N@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183851 768670821 /nfs/dbraw/zinc/67/08/21/768670821.db2.gz VUJBFYNNSSDRTK-GDBMZVCRSA-N 2 1 320.437 1.363 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@H](NC(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132183851 768670826 /nfs/dbraw/zinc/67/08/26/768670826.db2.gz VUJBFYNNSSDRTK-GDBMZVCRSA-N 2 1 320.437 1.363 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517805 768930752 /nfs/dbraw/zinc/93/07/52/768930752.db2.gz GXAQCVCLMIUNAC-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1C ZINC001132976457 769378910 /nfs/dbraw/zinc/37/89/10/769378910.db2.gz FAJXGLAXTYDILK-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071682522 769869008 /nfs/dbraw/zinc/86/90/08/769869008.db2.gz NCOMVFIJFZRYCB-ZBFHGGJFSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)C[C@H]2C1 ZINC001048818423 769937598 /nfs/dbraw/zinc/93/75/98/769937598.db2.gz JGYOJTOCQRZZKB-FJIDUMEYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818423 769937609 /nfs/dbraw/zinc/93/76/09/769937609.db2.gz JGYOJTOCQRZZKB-FJIDUMEYSA-N 2 1 315.461 1.274 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)C[C@H]2C1 ZINC001048818423 769937618 /nfs/dbraw/zinc/93/76/18/769937618.db2.gz JGYOJTOCQRZZKB-FJIDUMEYSA-N 2 1 315.461 1.274 20 30 DDEDMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001048871931 770026979 /nfs/dbraw/zinc/02/69/79/770026979.db2.gz SORNXUOXPRABLV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871931 770026991 /nfs/dbraw/zinc/02/69/91/770026991.db2.gz SORNXUOXPRABLV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001048871931 770027000 /nfs/dbraw/zinc/02/70/00/770027000.db2.gz SORNXUOXPRABLV-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001133845693 770352454 /nfs/dbraw/zinc/35/24/54/770352454.db2.gz LTNSRTLVTGIMGT-ZDUSSCGKSA-N 2 1 318.396 1.245 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049095938 770365440 /nfs/dbraw/zinc/36/54/40/770365440.db2.gz JRIUWOMIMFXDPH-IYBDPMFKSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049095938 770365450 /nfs/dbraw/zinc/36/54/50/770365450.db2.gz JRIUWOMIMFXDPH-IYBDPMFKSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC[C@H]1C ZINC001071974595 770370173 /nfs/dbraw/zinc/37/01/73/770370173.db2.gz OIUVTAJRLQLGRZ-CRAIPNDOSA-N 2 1 317.477 1.711 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001133866040 770382869 /nfs/dbraw/zinc/38/28/69/770382869.db2.gz GUPHAONWSPZHTO-DOMZBBRYSA-N 2 1 318.396 1.101 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[N@H+]43)C[C@H]2C1 ZINC001049107291 770390550 /nfs/dbraw/zinc/39/05/50/770390550.db2.gz DASCSSAHJCQHFQ-YYIAUSFCSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107291 770390562 /nfs/dbraw/zinc/39/05/62/770390562.db2.gz DASCSSAHJCQHFQ-YYIAUSFCSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[C@@H]4CCC[NH+]43)C[C@H]2C1 ZINC001049107291 770390573 /nfs/dbraw/zinc/39/05/73/770390573.db2.gz DASCSSAHJCQHFQ-YYIAUSFCSA-N 2 1 301.434 1.027 20 30 DDEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CCCC)C[C@H]2C1 ZINC001049165715 770487050 /nfs/dbraw/zinc/48/70/50/770487050.db2.gz ZCJCEOJZGQFDFK-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165715 770487051 /nfs/dbraw/zinc/48/70/51/770487051.db2.gz ZCJCEOJZGQFDFK-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CCCC)C[C@H]2C1 ZINC001049165715 770487054 /nfs/dbraw/zinc/48/70/54/770487054.db2.gz ZCJCEOJZGQFDFK-KSZLIROESA-N 2 1 317.477 1.664 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001049171994 770496176 /nfs/dbraw/zinc/49/61/76/770496176.db2.gz RAKBIMKEBORDPO-SOUVJXGZSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049171994 770496180 /nfs/dbraw/zinc/49/61/80/770496180.db2.gz RAKBIMKEBORDPO-SOUVJXGZSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001049171994 770496187 /nfs/dbraw/zinc/49/61/87/770496187.db2.gz RAKBIMKEBORDPO-SOUVJXGZSA-N 2 1 311.857 1.471 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789827 771160096 /nfs/dbraw/zinc/16/00/96/771160096.db2.gz HLPVXSODTFNGHM-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCOCC1 ZINC001049789827 771160100 /nfs/dbraw/zinc/16/01/00/771160100.db2.gz HLPVXSODTFNGHM-IRXDYDNUSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001073661593 773275231 /nfs/dbraw/zinc/27/52/31/773275231.db2.gz AUGWZIURSNROKR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661593 773275232 /nfs/dbraw/zinc/27/52/32/773275232.db2.gz AUGWZIURSNROKR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001073661593 773275234 /nfs/dbraw/zinc/27/52/34/773275234.db2.gz AUGWZIURSNROKR-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086952388 773741509 /nfs/dbraw/zinc/74/15/09/773741509.db2.gz HOWSYJJYKGJXJB-SJORKVTESA-N 2 1 317.477 1.664 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001086956209 773744155 /nfs/dbraw/zinc/74/41/55/773744155.db2.gz HKFUCLZHWZDTMH-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091959594 773898004 /nfs/dbraw/zinc/89/80/04/773898004.db2.gz BIHXADUUFBVFIK-QAPCUYQASA-N 2 1 317.433 1.921 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@]2(C)C1 ZINC001091959594 773898010 /nfs/dbraw/zinc/89/80/10/773898010.db2.gz BIHXADUUFBVFIK-QAPCUYQASA-N 2 1 317.433 1.921 20 30 DDEDMP C=CC[N@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871097 775009475 /nfs/dbraw/zinc/00/94/75/775009475.db2.gz GLBVLUDFIUIPSO-HOCLYGCPSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)CC[C@@H]21 ZINC001036871097 775009483 /nfs/dbraw/zinc/00/94/83/775009483.db2.gz GLBVLUDFIUIPSO-HOCLYGCPSA-N 2 1 314.433 1.870 20 30 DDEDMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099588448 775051313 /nfs/dbraw/zinc/05/13/13/775051313.db2.gz BHGYQMLOZUEEKN-OAHLLOKOSA-N 2 1 309.454 1.111 20 30 DDEDMP CC#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001100407869 776110493 /nfs/dbraw/zinc/11/04/93/776110493.db2.gz MTIFSQNAZKEBPW-NRXISQOPSA-N 2 1 300.406 1.268 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461543 777154841 /nfs/dbraw/zinc/15/48/41/777154841.db2.gz HZSJRXXDULIKPL-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461543 777154844 /nfs/dbraw/zinc/15/48/44/777154844.db2.gz HZSJRXXDULIKPL-AEFFLSMTSA-N 2 1 316.449 1.938 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473362 777158139 /nfs/dbraw/zinc/15/81/39/777158139.db2.gz RXUJPTOXVWAEBL-AEFFLSMTSA-N 2 1 303.450 1.276 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001174890072 777611842 /nfs/dbraw/zinc/61/18/42/777611842.db2.gz OZVOQPGBAVLXFG-CVEARBPZSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001174890072 777611847 /nfs/dbraw/zinc/61/18/47/777611847.db2.gz OZVOQPGBAVLXFG-CVEARBPZSA-N 2 1 311.470 1.546 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)C[C@H]21 ZINC001177138231 778459477 /nfs/dbraw/zinc/45/94/77/778459477.db2.gz KJWFKUUIFASBCP-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001177138231 778459480 /nfs/dbraw/zinc/45/94/80/778459480.db2.gz KJWFKUUIFASBCP-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177138231 778459483 /nfs/dbraw/zinc/45/94/83/778459483.db2.gz KJWFKUUIFASBCP-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)CCC)C[C@H]21 ZINC001177138231 778459485 /nfs/dbraw/zinc/45/94/85/778459485.db2.gz KJWFKUUIFASBCP-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001177267698 778523067 /nfs/dbraw/zinc/52/30/67/778523067.db2.gz WHJYDVUDVMRXFY-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001103721628 779011493 /nfs/dbraw/zinc/01/14/93/779011493.db2.gz ZYIDDWRJUHGXSM-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103721628 779011496 /nfs/dbraw/zinc/01/14/96/779011496.db2.gz ZYIDDWRJUHGXSM-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103721628 779011501 /nfs/dbraw/zinc/01/15/01/779011501.db2.gz ZYIDDWRJUHGXSM-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185282 779358695 /nfs/dbraw/zinc/35/86/95/779358695.db2.gz BPJOWJQTHKYFKL-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115303625 780022088 /nfs/dbraw/zinc/02/20/88/780022088.db2.gz HDNBCTWRVNTBAJ-MLHJIOFPSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001115303625 780022094 /nfs/dbraw/zinc/02/20/94/780022094.db2.gz HDNBCTWRVNTBAJ-MLHJIOFPSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001115598258 780257645 /nfs/dbraw/zinc/25/76/45/780257645.db2.gz LMCJNMYSUGXWNG-MRXNPFEDSA-N 2 1 305.466 1.903 20 30 DDEDMP C#CCC[N@@H+](CC)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267254229 837675096 /nfs/dbraw/zinc/67/50/96/837675096.db2.gz HRCZIJOWNLEGPM-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001266459361 836289783 /nfs/dbraw/zinc/28/97/83/836289783.db2.gz OSUKHIAZZQFZRJ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001266459361 836289795 /nfs/dbraw/zinc/28/97/95/836289795.db2.gz OSUKHIAZZQFZRJ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266459361 836289808 /nfs/dbraw/zinc/28/98/08/836289808.db2.gz OSUKHIAZZQFZRJ-MRXNPFEDSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266473322 836315348 /nfs/dbraw/zinc/31/53/48/836315348.db2.gz YULKZFUWNDTHBN-INIZCTEOSA-N 2 1 304.438 1.938 20 30 DDEDMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266473322 836315362 /nfs/dbraw/zinc/31/53/62/836315362.db2.gz YULKZFUWNDTHBN-INIZCTEOSA-N 2 1 304.438 1.938 20 30 DDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001267362936 837914786 /nfs/dbraw/zinc/91/47/86/837914786.db2.gz XPAWJYJQPXLXSQ-MSOLQXFVSA-N 2 1 313.445 1.941 20 30 DDEDMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267582174 838361640 /nfs/dbraw/zinc/36/16/40/838361640.db2.gz HIQUHJVFCBKSGM-JKSUJKDBSA-N 2 1 311.445 1.470 20 30 DDEDMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267586437 838371496 /nfs/dbraw/zinc/37/14/96/838371496.db2.gz RMOBTMIMPIVQLA-AWEZNQCLSA-N 2 1 318.421 1.153 20 30 DDEDMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267586437 838371500 /nfs/dbraw/zinc/37/15/00/838371500.db2.gz RMOBTMIMPIVQLA-AWEZNQCLSA-N 2 1 318.421 1.153 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC(C)C)C1 ZINC001279241714 838577299 /nfs/dbraw/zinc/57/72/99/838577299.db2.gz HUMNWIBAMFSSRG-JCYILVPMSA-N 2 1 305.466 1.709 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC(C)C)C1 ZINC001279241714 838577300 /nfs/dbraw/zinc/57/73/00/838577300.db2.gz HUMNWIBAMFSSRG-JCYILVPMSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267725735 838749105 /nfs/dbraw/zinc/74/91/05/838749105.db2.gz AAOSRGKYYUZULU-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267725735 838749108 /nfs/dbraw/zinc/74/91/08/838749108.db2.gz AAOSRGKYYUZULU-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001267725735 838749113 /nfs/dbraw/zinc/74/91/13/838749113.db2.gz AAOSRGKYYUZULU-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267764022 838902333 /nfs/dbraw/zinc/90/23/33/838902333.db2.gz QSVVUPKDGDKBNM-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001267764022 838902346 /nfs/dbraw/zinc/90/23/46/838902346.db2.gz QSVVUPKDGDKBNM-JKSUJKDBSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001267855604 839085859 /nfs/dbraw/zinc/08/58/59/839085859.db2.gz DUGDNTGIRMUJPW-FUHWJXTLSA-N 2 1 305.466 1.759 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001272042079 844415255 /nfs/dbraw/zinc/41/52/55/844415255.db2.gz ADKXDKQIKXSDLI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001272042079 844415259 /nfs/dbraw/zinc/41/52/59/844415259.db2.gz ADKXDKQIKXSDLI-IAGOWNOFSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268659158 840642259 /nfs/dbraw/zinc/64/22/59/840642259.db2.gz UFVFSJNVZJQOFR-HIFRSBDPSA-N 2 1 304.438 1.814 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269347818 841549932 /nfs/dbraw/zinc/54/99/32/841549932.db2.gz CDQDPQHCDZEZFI-QGZVFWFLSA-N 2 1 316.449 1.918 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001269347818 841549941 /nfs/dbraw/zinc/54/99/41/841549941.db2.gz CDQDPQHCDZEZFI-QGZVFWFLSA-N 2 1 316.449 1.918 20 30 DDEDMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001269413634 841622597 /nfs/dbraw/zinc/62/25/97/841622597.db2.gz XGIOJIYAOJPABF-NVXWUHKLSA-N 2 1 305.466 1.901 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001154580175 861236246 /nfs/dbraw/zinc/23/62/46/861236246.db2.gz QSNHLWGVABCSPY-MRXNPFEDSA-N 2 1 323.481 1.337 20 30 DDEDMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CCc2cnc[nH]2)cc1 ZINC001272690713 846630941 /nfs/dbraw/zinc/63/09/41/846630941.db2.gz CQTDGQGFSKIVND-CQSZACIVSA-N 2 1 310.401 1.943 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000996992198 847097657 /nfs/dbraw/zinc/09/76/57/847097657.db2.gz NJOGFKJSPAMFGU-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000996992198 847097659 /nfs/dbraw/zinc/09/76/59/847097659.db2.gz NJOGFKJSPAMFGU-GDBMZVCRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807698 847457736 /nfs/dbraw/zinc/45/77/36/847457736.db2.gz GAGYXOBFIWOPIU-GOSISDBHSA-N 2 1 314.433 1.885 20 30 DDEDMP C=CCN1CC[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)CC2)C1=O ZINC001272807698 847457740 /nfs/dbraw/zinc/45/77/40/847457740.db2.gz GAGYXOBFIWOPIU-GOSISDBHSA-N 2 1 314.433 1.885 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC[NH+](C)CC1 ZINC001272887299 847595015 /nfs/dbraw/zinc/59/50/15/847595015.db2.gz BSPWEYDWKWWURP-GOSISDBHSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034213384 848120204 /nfs/dbraw/zinc/12/02/04/848120204.db2.gz XFHMIFKQSOEVBR-SJORKVTESA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)CC[N@H+](C)CC ZINC001410487336 849404921 /nfs/dbraw/zinc/40/49/21/849404921.db2.gz UHZWLWUGFRCCRB-LBPRGKRZSA-N 2 1 320.275 1.673 20 30 DDEDMP C=CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001150021042 862034784 /nfs/dbraw/zinc/03/47/84/862034784.db2.gz FWIPKOPIHCPWND-DLBZAZTESA-N 2 1 321.465 1.254 20 30 DDEDMP COCC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001273428879 850243882 /nfs/dbraw/zinc/24/38/82/850243882.db2.gz RKEMRHRQDCWFHI-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001273428879 850243885 /nfs/dbraw/zinc/24/38/85/850243885.db2.gz RKEMRHRQDCWFHI-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP COCC#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001273428879 850243896 /nfs/dbraw/zinc/24/38/96/850243896.db2.gz RKEMRHRQDCWFHI-IAGOWNOFSA-N 2 1 321.465 1.091 20 30 DDEDMP C#CCN(C(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CCF)CC1 ZINC001324431901 850255053 /nfs/dbraw/zinc/25/50/53/850255053.db2.gz JQHAQCJOGOHLRZ-UHFFFAOYSA-N 2 1 323.456 1.614 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001273599723 851133984 /nfs/dbraw/zinc/13/39/84/851133984.db2.gz UYZUNKIGQHWWMU-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCNC(=O)[C@@H]1CC12CC[NH+](Cc1cccc3c[nH+]cn31)CC2 ZINC001274111393 851937920 /nfs/dbraw/zinc/93/79/20/851937920.db2.gz YICAMOXTCXTDIR-KRWDZBQOSA-N 2 1 322.412 1.686 20 30 DDEDMP C=CCC[NH+]1CCCO[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150587769 862330936 /nfs/dbraw/zinc/33/09/36/862330936.db2.gz KBXXEBFCYSKFNQ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150587769 862330950 /nfs/dbraw/zinc/33/09/50/862330950.db2.gz KBXXEBFCYSKFNQ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCC[N@H+]1CCCO[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150587769 862330972 /nfs/dbraw/zinc/33/09/72/862330972.db2.gz KBXXEBFCYSKFNQ-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001274519915 852355696 /nfs/dbraw/zinc/35/56/96/852355696.db2.gz CIUMAOCKISPEFS-HZPDHXFCSA-N 2 1 323.481 1.236 20 30 DDEDMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001275062805 852780480 /nfs/dbraw/zinc/78/04/80/852780480.db2.gz HFXXEYOUQIGMDI-IEBWSBKVSA-N 2 1 311.429 1.476 20 30 DDEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001150760975 862456608 /nfs/dbraw/zinc/45/66/08/862456608.db2.gz GDWYRUAUHHUTKP-QGZVFWFLSA-N 2 1 321.465 1.093 20 30 DDEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001151026628 862584459 /nfs/dbraw/zinc/58/44/59/862584459.db2.gz IAWQQXNTLQISRD-MRXNPFEDSA-N 2 1 321.465 1.091 20 30 DDEDMP C=CC[NH+]1CCC(CCOC)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001151161813 862658344 /nfs/dbraw/zinc/65/83/44/862658344.db2.gz ASEBEEGXACSUGW-UHFFFAOYSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001006430960 855402566 /nfs/dbraw/zinc/40/25/66/855402566.db2.gz IMMWIRIAAHCJPQ-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001006430960 855402569 /nfs/dbraw/zinc/40/25/69/855402569.db2.gz IMMWIRIAAHCJPQ-KRWDZBQOSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277421 855405427 /nfs/dbraw/zinc/40/54/27/855405427.db2.gz QRIMKFOWZHYRGO-OAGGEKHMSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001151403558 862756688 /nfs/dbraw/zinc/75/66/88/862756688.db2.gz ZTKMFXQRVBOHIA-UHFFFAOYSA-N 2 1 323.481 1.339 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC001072732653 857650938 /nfs/dbraw/zinc/65/09/38/857650938.db2.gz SIVQODKTYDDMEY-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)C2)C1 ZINC001072732653 857650940 /nfs/dbraw/zinc/65/09/40/857650940.db2.gz SIVQODKTYDDMEY-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC001072732653 857650943 /nfs/dbraw/zinc/65/09/43/857650943.db2.gz SIVQODKTYDDMEY-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[N@H+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001073077410 858072570 /nfs/dbraw/zinc/07/25/70/858072570.db2.gz WISVAPZXNJCAMK-UHFFFAOYSA-N 2 1 303.450 1.276 20 30 DDEDMP C=C(C)CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001073555256 858436101 /nfs/dbraw/zinc/43/61/01/858436101.db2.gz YXEBMCVXXQKRFH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555256 858436106 /nfs/dbraw/zinc/43/61/06/858436106.db2.gz YXEBMCVXXQKRFH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001073555256 858436111 /nfs/dbraw/zinc/43/61/11/858436111.db2.gz YXEBMCVXXQKRFH-JKSUJKDBSA-N 2 1 309.454 1.254 20 30 DDEDMP CC#CC[NH2+]C1CC2(CC(NC(=O)C[N@H+]3CCC[C@@H]3C)C2)C1 ZINC001121767541 858592259 /nfs/dbraw/zinc/59/22/59/858592259.db2.gz GPMNKEMUUOCDGM-JFPDKAJLSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[NH2+]CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001122119180 858689771 /nfs/dbraw/zinc/68/97/71/858689771.db2.gz KRYFTBVJEWJHKE-MRXNPFEDSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154339968 861018369 /nfs/dbraw/zinc/01/83/69/861018369.db2.gz BDBWVBSMOBGQTR-CQSZACIVSA-N 2 1 302.422 1.222 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001154339968 861018384 /nfs/dbraw/zinc/01/83/84/861018384.db2.gz BDBWVBSMOBGQTR-CQSZACIVSA-N 2 1 302.422 1.222 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001152439460 863347363 /nfs/dbraw/zinc/34/73/63/863347363.db2.gz NBWSKHNRILVBDU-UHFFFAOYSA-N 2 1 306.385 1.243 20 30 DDEDMP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013217 863518810 /nfs/dbraw/zinc/51/88/10/863518810.db2.gz HMFCDJYNTBIZHD-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013217 863518822 /nfs/dbraw/zinc/51/88/22/863518822.db2.gz HMFCDJYNTBIZHD-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157013217 863518832 /nfs/dbraw/zinc/51/88/32/863518832.db2.gz HMFCDJYNTBIZHD-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[NH+](CC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157013217 863518840 /nfs/dbraw/zinc/51/88/40/863518840.db2.gz HMFCDJYNTBIZHD-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001153313857 863818811 /nfs/dbraw/zinc/81/88/11/863818811.db2.gz YHQLQZBMOSVKOT-SJORKVTESA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001153313857 863818815 /nfs/dbraw/zinc/81/88/15/863818815.db2.gz YHQLQZBMOSVKOT-SJORKVTESA-N 2 1 323.481 1.336 20 30 DDEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001153313857 863818818 /nfs/dbraw/zinc/81/88/18/863818818.db2.gz YHQLQZBMOSVKOT-SJORKVTESA-N 2 1 323.481 1.336 20 30 DDEDMP C#CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153433495 863886627 /nfs/dbraw/zinc/88/66/27/863886627.db2.gz UDIOLVVUJIMNIK-HUUCEWRRSA-N 2 1 304.438 1.856 20 30 DDEDMP C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001153433495 863886643 /nfs/dbraw/zinc/88/66/43/863886643.db2.gz UDIOLVVUJIMNIK-HUUCEWRRSA-N 2 1 304.438 1.856 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001330186543 864138174 /nfs/dbraw/zinc/13/81/74/864138174.db2.gz ZBIYKOXIPBSWSE-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001330186543 864138179 /nfs/dbraw/zinc/13/81/79/864138179.db2.gz ZBIYKOXIPBSWSE-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001330186543 864138188 /nfs/dbraw/zinc/13/81/88/864138188.db2.gz ZBIYKOXIPBSWSE-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001330186543 864138196 /nfs/dbraw/zinc/13/81/96/864138196.db2.gz ZBIYKOXIPBSWSE-HUUCEWRRSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC ZINC001153868013 864180205 /nfs/dbraw/zinc/18/02/05/864180205.db2.gz KEZGFUFGXRTVQQ-BBWFWOEESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001153868013 864180211 /nfs/dbraw/zinc/18/02/11/864180211.db2.gz KEZGFUFGXRTVQQ-BBWFWOEESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)CC ZINC001153868013 864180215 /nfs/dbraw/zinc/18/02/15/864180215.db2.gz KEZGFUFGXRTVQQ-BBWFWOEESA-N 2 1 307.482 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](CC)C[C@@H](C)CC ZINC001153868013 864180220 /nfs/dbraw/zinc/18/02/20/864180220.db2.gz KEZGFUFGXRTVQQ-BBWFWOEESA-N 2 1 307.482 1.957 20 30 DDEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001159907569 865587939 /nfs/dbraw/zinc/58/79/39/865587939.db2.gz ADSXJCQNPVNLAT-QGZVFWFLSA-N 2 1 321.465 1.139 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ncccc1C ZINC001160198164 865722754 /nfs/dbraw/zinc/72/27/54/865722754.db2.gz VGXDSPMZVNOLCT-KRWDZBQOSA-N 2 1 314.433 1.084 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ncccc1C ZINC001160198164 865722760 /nfs/dbraw/zinc/72/27/60/865722760.db2.gz VGXDSPMZVNOLCT-KRWDZBQOSA-N 2 1 314.433 1.084 20 30 DDEDMP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001161042990 866312827 /nfs/dbraw/zinc/31/28/27/866312827.db2.gz VVVWAWJSIQIKJF-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001161083699 866359188 /nfs/dbraw/zinc/35/91/88/866359188.db2.gz FYNGLPMVYQHBBM-UHFFFAOYSA-N 2 1 303.450 1.490 20 30 DDEDMP C#CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001319886380 866367930 /nfs/dbraw/zinc/36/79/30/866367930.db2.gz UADKJFUCXLSNHR-WMZOPIPTSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001319886380 866367937 /nfs/dbraw/zinc/36/79/37/866367937.db2.gz UADKJFUCXLSNHR-WMZOPIPTSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001319886380 866367944 /nfs/dbraw/zinc/36/79/44/866367944.db2.gz UADKJFUCXLSNHR-WMZOPIPTSA-N 2 1 319.493 1.910 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC#Cc1ccccc1 ZINC001161250988 866467073 /nfs/dbraw/zinc/46/70/73/866467073.db2.gz GZIMHEORJWQVSV-UHFFFAOYSA-N 2 1 315.461 1.864 20 30 DDEDMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001323540465 866673623 /nfs/dbraw/zinc/67/36/23/866673623.db2.gz DGQRQBJEGMYZSX-OAHLLOKOSA-N 2 1 316.449 1.959 20 30 DDEDMP CC#CC[N@H+](CCOC)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001323749197 866818166 /nfs/dbraw/zinc/81/81/66/866818166.db2.gz SGBIVBRXHGTWAX-UHFFFAOYSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001333644457 866897040 /nfs/dbraw/zinc/89/70/40/866897040.db2.gz XHWCBLRMPZFFRW-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001333644457 866897057 /nfs/dbraw/zinc/89/70/57/866897057.db2.gz XHWCBLRMPZFFRW-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001333644457 866897067 /nfs/dbraw/zinc/89/70/67/866897067.db2.gz XHWCBLRMPZFFRW-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001333644457 866897083 /nfs/dbraw/zinc/89/70/83/866897083.db2.gz XHWCBLRMPZFFRW-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC001333644457 866897093 /nfs/dbraw/zinc/89/70/93/866897093.db2.gz XHWCBLRMPZFFRW-WBVHZDCISA-N 2 1 318.465 1.400 20 30 DDEDMP CC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC001164531401 869264062 /nfs/dbraw/zinc/26/40/62/869264062.db2.gz GZGATLMDEPNHPH-SJORKVTESA-N 2 1 317.477 1.760 20 30 DDEDMP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317003959 870109381 /nfs/dbraw/zinc/10/93/81/870109381.db2.gz GNQYYFWSRUNYLU-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(Br)C[NH2+]CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001166668274 870142941 /nfs/dbraw/zinc/14/29/41/870142941.db2.gz XOCWSAMEIVGFDP-LLVKDONJSA-N 2 1 318.259 1.333 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001317256371 870545243 /nfs/dbraw/zinc/54/52/43/870545243.db2.gz LLMJEOHEOSTPNP-WBVHZDCISA-N 2 1 303.450 1.679 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001317256371 870545256 /nfs/dbraw/zinc/54/52/56/870545256.db2.gz LLMJEOHEOSTPNP-WBVHZDCISA-N 2 1 303.450 1.679 20 30 DDEDMP COCC#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317257113 870545904 /nfs/dbraw/zinc/54/59/04/870545904.db2.gz SFMLVWJPFNVUBM-HNNXBMFYSA-N 2 1 323.481 1.384 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001317340092 870671763 /nfs/dbraw/zinc/67/17/63/870671763.db2.gz JRKNYTOLLPXRPB-IAGOWNOFSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001203918746 870832684 /nfs/dbraw/zinc/83/26/84/870832684.db2.gz BWSWLWZCYCZKAD-GOSISDBHSA-N 2 1 313.445 1.893 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317512750 870960099 /nfs/dbraw/zinc/96/00/99/870960099.db2.gz CWQUKTRZYIZFKL-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317512750 870960107 /nfs/dbraw/zinc/96/01/07/870960107.db2.gz CWQUKTRZYIZFKL-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001317870615 871607563 /nfs/dbraw/zinc/60/75/63/871607563.db2.gz UWIVYWAWFXCRMR-SFHVURJKSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CC[NH2+]CC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001205704070 871723752 /nfs/dbraw/zinc/72/37/52/871723752.db2.gz UMWBIWPVIQVEGI-UHFFFAOYSA-N 2 1 314.433 1.223 20 30 DDEDMP C#CC[NH2+]CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC001341685822 871775762 /nfs/dbraw/zinc/77/57/62/871775762.db2.gz YOOOTPUKXIUNQQ-UHFFFAOYSA-N 2 1 300.406 1.354 20 30 DDEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001226830050 882676289 /nfs/dbraw/zinc/67/62/89/882676289.db2.gz ASGUKDYJOYXWRS-IAGOWNOFSA-N 2 1 321.465 1.138 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207766784 873545528 /nfs/dbraw/zinc/54/55/28/873545528.db2.gz IPMGGZDOVWTZMP-NVXWUHKLSA-N 2 1 316.449 1.921 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001346547159 873798651 /nfs/dbraw/zinc/79/86/51/873798651.db2.gz RXXVXCAXDBIVHE-HNNXBMFYSA-N 2 1 320.481 1.646 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC001346547159 873798653 /nfs/dbraw/zinc/79/86/53/873798653.db2.gz RXXVXCAXDBIVHE-HNNXBMFYSA-N 2 1 320.481 1.646 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C(C)(C)C1 ZINC001276622971 874716379 /nfs/dbraw/zinc/71/63/79/874716379.db2.gz CDNYKSVTUQXNSX-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C(C)(C)C1 ZINC001276622971 874716387 /nfs/dbraw/zinc/71/63/87/874716387.db2.gz CDNYKSVTUQXNSX-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC001276622971 874716394 /nfs/dbraw/zinc/71/63/94/874716394.db2.gz CDNYKSVTUQXNSX-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C(C)(C)C1 ZINC001276622971 874716405 /nfs/dbraw/zinc/71/64/05/874716405.db2.gz CDNYKSVTUQXNSX-HZPDHXFCSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585947 874989569 /nfs/dbraw/zinc/98/95/69/874989569.db2.gz TUDUAERUKMEVRI-ZACQAIPSSA-N 2 1 307.482 1.813 20 30 DDEDMP CC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001209640373 875026194 /nfs/dbraw/zinc/02/61/94/875026194.db2.gz BMBSGPWGDOJKAH-CRAIPNDOSA-N 2 1 323.456 1.803 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210674200 875485063 /nfs/dbraw/zinc/48/50/63/875485063.db2.gz OQBZFTPMSDXIEC-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447943 875811959 /nfs/dbraw/zinc/81/19/59/875811959.db2.gz QEFJDNULFVNDBN-SJLPKXTDSA-N 2 1 313.445 1.578 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001211447943 875811968 /nfs/dbraw/zinc/81/19/68/875811968.db2.gz QEFJDNULFVNDBN-SJLPKXTDSA-N 2 1 313.445 1.578 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001211447943 875811977 /nfs/dbraw/zinc/81/19/77/875811977.db2.gz QEFJDNULFVNDBN-SJLPKXTDSA-N 2 1 313.445 1.578 20 30 DDEDMP C#CCC[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001211447943 875811986 /nfs/dbraw/zinc/81/19/86/875811986.db2.gz QEFJDNULFVNDBN-SJLPKXTDSA-N 2 1 313.445 1.578 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753474 876047473 /nfs/dbraw/zinc/04/74/73/876047473.db2.gz IHORFHYPYRQPRR-HZPDHXFCSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001214880368 876491895 /nfs/dbraw/zinc/49/18/95/876491895.db2.gz FLIKNQVLEFRGAK-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC(C)C)C1 ZINC001214880368 876491901 /nfs/dbraw/zinc/49/19/01/876491901.db2.gz FLIKNQVLEFRGAK-ZACQAIPSSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796922 878518949 /nfs/dbraw/zinc/51/89/49/878518949.db2.gz XFZAWWYMPHHGSP-BBWFWOEESA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796922 878518972 /nfs/dbraw/zinc/51/89/72/878518972.db2.gz XFZAWWYMPHHGSP-BBWFWOEESA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219796922 878518983 /nfs/dbraw/zinc/51/89/83/878518983.db2.gz XFZAWWYMPHHGSP-BBWFWOEESA-N 2 1 323.481 1.092 20 30 DDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351817 878945950 /nfs/dbraw/zinc/94/59/50/878945950.db2.gz JNEYILPNVDCBTA-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351817 878945963 /nfs/dbraw/zinc/94/59/63/878945963.db2.gz JNEYILPNVDCBTA-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351817 878945976 /nfs/dbraw/zinc/94/59/76/878945976.db2.gz JNEYILPNVDCBTA-ZACQAIPSSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220806388 879276289 /nfs/dbraw/zinc/27/62/89/879276289.db2.gz ARPKREBTFILALV-OAGGEKHMSA-N 2 1 311.470 1.234 20 30 DDEDMP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001221557451 879944868 /nfs/dbraw/zinc/94/48/68/879944868.db2.gz OCHLQNGNHQFINV-KZNAEPCWSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001221811912 880105295 /nfs/dbraw/zinc/10/52/95/880105295.db2.gz OXIWVVTVAGSPEN-IXDOHACOSA-N 2 1 305.466 1.663 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224222674 881280775 /nfs/dbraw/zinc/28/07/75/881280775.db2.gz UYLIJCFZYYIPQL-SJORKVTESA-N 2 1 305.466 1.971 20 30 DDEDMP C=C(C)C[N@@H+](C)CCOCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001277535685 885720178 /nfs/dbraw/zinc/72/01/78/885720178.db2.gz STRMVCRXAXYUJN-KRWDZBQOSA-N 2 1 309.454 1.113 20 30 DDEDMP C=C(C)C[NH+](C)CCOCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001277535685 885720188 /nfs/dbraw/zinc/72/01/88/885720188.db2.gz STRMVCRXAXYUJN-KRWDZBQOSA-N 2 1 309.454 1.113 20 30 DDEDMP C=C(C)C[NH+](C)CCOCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001277535685 885720196 /nfs/dbraw/zinc/72/01/96/885720196.db2.gz STRMVCRXAXYUJN-KRWDZBQOSA-N 2 1 309.454 1.113 20 30 DDEDMP C#CCOC[C@@H](O)C[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001251860889 894854794 /nfs/dbraw/zinc/85/47/94/894854794.db2.gz WJSYSUDIUQAPEW-SFHVURJKSA-N 2 1 308.466 1.726 20 30 DDEDMP C=CCN1CC[C@@]2(CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)C1=O ZINC001253388886 895811574 /nfs/dbraw/zinc/81/15/74/895811574.db2.gz PRBUQAMGKXPANE-CRAIPNDOSA-N 2 1 323.481 1.236 20 30 DDEDMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254665059 896564527 /nfs/dbraw/zinc/56/45/27/896564527.db2.gz LNZRQJNXQDEIBY-BIVLZKPYSA-N 2 1 314.437 1.365 20 30 DDEDMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254665059 896564534 /nfs/dbraw/zinc/56/45/34/896564534.db2.gz LNZRQJNXQDEIBY-BIVLZKPYSA-N 2 1 314.437 1.365 20 30 DDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254665059 896564545 /nfs/dbraw/zinc/56/45/45/896564545.db2.gz LNZRQJNXQDEIBY-BIVLZKPYSA-N 2 1 314.437 1.365 20 30 DDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC001254665059 896564557 /nfs/dbraw/zinc/56/45/57/896564557.db2.gz LNZRQJNXQDEIBY-BIVLZKPYSA-N 2 1 314.437 1.365 20 30 DDEDMP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1C#N)[NH+](C)C ZINC001367758207 897692478 /nfs/dbraw/zinc/69/24/78/897692478.db2.gz RLANIXLRGDRRJR-LRDDRELGSA-N 2 1 320.412 1.632 20 30 DDEDMP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cc(F)ccc1C#N ZINC001390525266 899604080 /nfs/dbraw/zinc/60/40/80/899604080.db2.gz YCGPYVKTEBFZTM-CYBMUJFWSA-N 2 1 318.396 1.387 20 30 DDEDMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001263903120 900810519 /nfs/dbraw/zinc/81/05/19/900810519.db2.gz JABDYFRAHFZOGX-BBWFWOEESA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001264115106 900950641 /nfs/dbraw/zinc/95/06/41/900950641.db2.gz QTVBNJVCUCTVHT-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001264115106 900950649 /nfs/dbraw/zinc/95/06/49/900950649.db2.gz QTVBNJVCUCTVHT-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264123013 900958951 /nfs/dbraw/zinc/95/89/51/900958951.db2.gz XTLKDPRQRBCZAS-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265386426 901948930 /nfs/dbraw/zinc/94/89/30/901948930.db2.gz GCCVKDTXCNSPCJ-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265386426 901948949 /nfs/dbraw/zinc/94/89/49/901948949.db2.gz GCCVKDTXCNSPCJ-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265386426 901948966 /nfs/dbraw/zinc/94/89/66/901948966.db2.gz GCCVKDTXCNSPCJ-IAGOWNOFSA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001265416297 901990897 /nfs/dbraw/zinc/99/08/97/901990897.db2.gz VLRLNNAYSGTFSW-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001265416297 901990904 /nfs/dbraw/zinc/99/09/04/901990904.db2.gz VLRLNNAYSGTFSW-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001265416297 901990913 /nfs/dbraw/zinc/99/09/13/901990913.db2.gz VLRLNNAYSGTFSW-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001265416297 901990922 /nfs/dbraw/zinc/99/09/22/901990922.db2.gz VLRLNNAYSGTFSW-BBWFWOEESA-N 2 1 321.465 1.349 20 30 DDEDMP C[NH+](C)CCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001370015286 902389484 /nfs/dbraw/zinc/38/94/84/902389484.db2.gz IPMFCVNAFXBBTG-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001266008675 902746612 /nfs/dbraw/zinc/74/66/12/902746612.db2.gz GZWOLDOKAREHDS-JKSUJKDBSA-N 2 1 314.433 1.215 20 30 DDEDMP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC#CCOC)[NH+](C)C ZINC001279589296 903339969 /nfs/dbraw/zinc/33/99/69/903339969.db2.gz XJBFKFVMWPSXDY-ZACQAIPSSA-N 2 1 321.465 1.042 20 30 DDEDMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)CCC)c(F)c1 ZINC001279722592 903398294 /nfs/dbraw/zinc/39/82/94/903398294.db2.gz LKSZMJABMRYOPR-UHFFFAOYSA-N 2 1 305.397 1.507 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001280072972 903506350 /nfs/dbraw/zinc/50/63/50/903506350.db2.gz KNRVRIHKKAUTRG-WMZOPIPTSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001280452072 903694731 /nfs/dbraw/zinc/69/47/31/903694731.db2.gz LZVIZOHXEGGANY-JKSUJKDBSA-N 2 1 314.433 1.358 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001280726959 903960405 /nfs/dbraw/zinc/96/04/05/903960405.db2.gz KGWNKLUYTLYNHG-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001280726959 903960415 /nfs/dbraw/zinc/96/04/15/903960415.db2.gz KGWNKLUYTLYNHG-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001280726959 903960424 /nfs/dbraw/zinc/96/04/24/903960424.db2.gz KGWNKLUYTLYNHG-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001280726959 903960435 /nfs/dbraw/zinc/96/04/35/903960435.db2.gz KGWNKLUYTLYNHG-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccccc1C#N ZINC001371319042 904693565 /nfs/dbraw/zinc/69/35/65/904693565.db2.gz MJHNGZGPSVCYDE-PBHICJAKSA-N 2 1 314.433 1.637 20 30 DDEDMP C=CCCC[NH+]1CC(CCO)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001282539725 905857353 /nfs/dbraw/zinc/85/73/53/905857353.db2.gz OXYYLCGATAREOJ-UHFFFAOYSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001283611380 907675902 /nfs/dbraw/zinc/67/59/02/907675902.db2.gz AZIRXCNVRSGZDH-IUODEOHRSA-N 2 1 305.426 1.413 20 30 DDEDMP C=CC[NH2+][C@H](C)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001283611380 907675913 /nfs/dbraw/zinc/67/59/13/907675913.db2.gz AZIRXCNVRSGZDH-IUODEOHRSA-N 2 1 305.426 1.413 20 30 DDEDMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccccc1C#N ZINC001373828072 911129190 /nfs/dbraw/zinc/12/91/90/911129190.db2.gz BKBLOMNTZCOGQG-IRXDYDNUSA-N 2 1 314.433 1.494 20 30 DDEDMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001316661324 916681400 /nfs/dbraw/zinc/68/14/00/916681400.db2.gz AQTCUDUCQUOBML-QLFBSQMISA-N 2 1 302.422 1.486 20 30 DDEDMP C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001376350260 918294455 /nfs/dbraw/zinc/29/44/55/918294455.db2.gz TYHOQPQOIJDXFJ-ZIAGYGMSSA-N 2 1 301.862 1.907 20 30 DDEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cccc(C#N)c1 ZINC001376743676 919238474 /nfs/dbraw/zinc/23/84/74/919238474.db2.gz USNSEOCDJQCQOC-AWEZNQCLSA-N 2 1 314.433 1.637 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001377879325 923313566 /nfs/dbraw/zinc/31/35/66/923313566.db2.gz XNZPKXQMJIUZFW-QGZVFWFLSA-N 2 1 314.433 1.591 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2CC)CC1 ZINC000581176219 354731512 /nfs/dbraw/zinc/73/15/12/354731512.db2.gz DFLFYYFPZWJALX-MRXNPFEDSA-N 2 1 308.470 1.763 20 30 DDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900550 356697211 /nfs/dbraw/zinc/69/72/11/356697211.db2.gz GMRJBDGCCIWOKX-DZGCQCFKSA-N 2 1 322.453 1.098 20 30 DDEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOCCC#N)CC2)C[C@H](C)O1 ZINC000338955446 223264332 /nfs/dbraw/zinc/26/43/32/223264332.db2.gz WCXLOIOLMXXIAL-IYBDPMFKSA-N 2 1 309.454 1.738 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272425523 407915522 /nfs/dbraw/zinc/91/55/22/407915522.db2.gz HBXPVNNHJDUODD-DOTOQJQBSA-N 2 1 301.434 1.789 20 30 DDEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272425523 407915525 /nfs/dbraw/zinc/91/55/25/407915525.db2.gz HBXPVNNHJDUODD-DOTOQJQBSA-N 2 1 301.434 1.789 20 30 DDEDMP C=C(C)CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272991513 408022041 /nfs/dbraw/zinc/02/20/41/408022041.db2.gz SVGAYGDWILYGTA-MRXNPFEDSA-N 2 1 302.422 1.234 20 30 DDEDMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(C#N)o2)ccn1 ZINC000136228085 408089737 /nfs/dbraw/zinc/08/97/37/408089737.db2.gz ZQHXDHZWCGWDRD-UHFFFAOYSA-N 2 1 300.362 1.776 20 30 DDEDMP CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000273331069 408155954 /nfs/dbraw/zinc/15/59/54/408155954.db2.gz JLJPSLBKMAQMMA-INIZCTEOSA-N 2 1 300.450 1.960 20 30 DDEDMP CC[NH+]=C(NCc1nccs1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158422923 408339243 /nfs/dbraw/zinc/33/92/43/408339243.db2.gz HSWIBUKDSKVZFO-STQMWFEESA-N 2 1 309.483 1.927 20 30 DDEDMP CCNC(NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)=[NH+]CC ZINC000285247560 409405229 /nfs/dbraw/zinc/40/52/29/409405229.db2.gz YVMMTZGQAFNUAN-DZGCQCFKSA-N 2 1 306.458 1.378 20 30 DDEDMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303231219 409539370 /nfs/dbraw/zinc/53/93/70/409539370.db2.gz VAKWUTHQEJRBED-KRWDZBQOSA-N 2 1 317.433 1.714 20 30 DDEDMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000303231219 409539379 /nfs/dbraw/zinc/53/93/79/409539379.db2.gz VAKWUTHQEJRBED-KRWDZBQOSA-N 2 1 317.433 1.714 20 30 DDEDMP CCNC(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)=[NH+]CC ZINC000190528123 222082720 /nfs/dbraw/zinc/08/27/20/222082720.db2.gz QYAJAVKBABQUHH-KRWDZBQOSA-N 2 1 318.465 1.853 20 30 DDEDMP CN(CCC#N)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000237199148 222207862 /nfs/dbraw/zinc/20/78/62/222207862.db2.gz CNJVXEFKGSDLIL-SFHVURJKSA-N 2 1 316.449 1.583 20 30 DDEDMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCOCC2)[NH+]2CCCC2)o1 ZINC000261994599 222268195 /nfs/dbraw/zinc/26/81/95/222268195.db2.gz NIXGJIKXVJYHAT-CQSZACIVSA-N 2 1 306.410 1.372 20 30 DDEDMP C[NH+]=C(NCc1nc(C)cs1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262002197 222269870 /nfs/dbraw/zinc/26/98/70/222269870.db2.gz USXDJBNRVYNTRY-ZWNOBZJWSA-N 2 1 307.467 1.599 20 30 DDEDMP CC[NH+]=C(NCc1nccs1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262021838 222270850 /nfs/dbraw/zinc/27/08/50/222270850.db2.gz ZABGDTXFQFGBNH-AAEUAGOBSA-N 2 1 307.467 1.681 20 30 DDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CC1 ZINC000264070558 222312110 /nfs/dbraw/zinc/31/21/10/222312110.db2.gz RUEAPJIWTRZCOT-MRXNPFEDSA-N 2 1 300.450 1.878 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(F)c1 ZINC000264076398 222313839 /nfs/dbraw/zinc/31/38/39/222313839.db2.gz FVORKMNRXJCZRG-ZDUSSCGKSA-N 2 1 308.401 1.723 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccn1C(F)F ZINC000264116309 222320761 /nfs/dbraw/zinc/32/07/61/222320761.db2.gz SQEFTSZPQUIKDX-JTQLQIEISA-N 2 1 300.357 1.167 20 30 DDEDMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758325 418758132 /nfs/dbraw/zinc/75/81/32/418758132.db2.gz VWHFDVSHEHKZEW-WMZOPIPTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758325 418758135 /nfs/dbraw/zinc/75/81/35/418758135.db2.gz VWHFDVSHEHKZEW-WMZOPIPTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758325 418758137 /nfs/dbraw/zinc/75/81/37/418758137.db2.gz VWHFDVSHEHKZEW-WMZOPIPTSA-N 2 1 315.417 1.326 20 30 DDEDMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)C1 ZINC000391758325 418758139 /nfs/dbraw/zinc/75/81/39/418758139.db2.gz VWHFDVSHEHKZEW-WMZOPIPTSA-N 2 1 315.417 1.326 20 30 DDEDMP CN(C)C(=[NH+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)N(C)C ZINC000364041893 418772676 /nfs/dbraw/zinc/77/26/76/418772676.db2.gz YSDSZTOLFDAAQL-UHFFFAOYSA-N 3 1 323.529 1.662 20 30 DDEDMP C[C@@H](CCC#N)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000411366952 418896998 /nfs/dbraw/zinc/89/69/98/418896998.db2.gz GJJMUYCWBSFTID-HNNXBMFYSA-N 2 1 306.454 1.555 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000491655944 421201009 /nfs/dbraw/zinc/20/10/09/421201009.db2.gz HULGODKNLXRTEU-HNNXBMFYSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000491655944 421201011 /nfs/dbraw/zinc/20/10/11/421201011.db2.gz HULGODKNLXRTEU-HNNXBMFYSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000491655944 421201012 /nfs/dbraw/zinc/20/10/12/421201012.db2.gz HULGODKNLXRTEU-HNNXBMFYSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000491818400 421204108 /nfs/dbraw/zinc/20/41/08/421204108.db2.gz YHXWUOIPBSQQIT-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000491818400 421204110 /nfs/dbraw/zinc/20/41/10/421204110.db2.gz YHXWUOIPBSQQIT-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C(CC)CC)N1CCOCC1 ZINC000491816012 421204149 /nfs/dbraw/zinc/20/41/49/421204149.db2.gz VUSSKUZJFLMHBF-KRWDZBQOSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)nn1 ZINC000655940081 424694776 /nfs/dbraw/zinc/69/47/76/424694776.db2.gz OVLZYCVYNPIBNO-DOTOQJQBSA-N 2 1 319.453 1.573 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000662720767 424747035 /nfs/dbraw/zinc/74/70/35/424747035.db2.gz CVPMTCUIXTUMOE-HNNXBMFYSA-N 2 1 309.360 1.731 20 30 DDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000530230806 268303966 /nfs/dbraw/zinc/30/39/66/268303966.db2.gz JRBZEKMYDAOYFI-QGZVFWFLSA-N 2 1 315.417 1.514 20 30 DDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000424156698 534020199 /nfs/dbraw/zinc/02/01/99/534020199.db2.gz OPDFCQDKMMEAGX-WMLDXEAASA-N 2 1 314.433 1.571 20 30 DDEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717909 526356351 /nfs/dbraw/zinc/35/63/51/526356351.db2.gz ZUYPUFUZXXOHLJ-KRWDZBQOSA-N 2 1 301.434 1.872 20 30 DDEDMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329891787 528997376 /nfs/dbraw/zinc/99/73/76/528997376.db2.gz IJSLUZCWDBXFLN-HUUCEWRRSA-N 2 1 319.453 1.824 20 30 DDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000329891787 528997380 /nfs/dbraw/zinc/99/73/80/528997380.db2.gz IJSLUZCWDBXFLN-HUUCEWRRSA-N 2 1 319.453 1.824 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC000980236336 696715462 /nfs/dbraw/zinc/71/54/62/696715462.db2.gz DGCDHJNTEZNAHI-ULQDDVLXSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980244179 696717172 /nfs/dbraw/zinc/71/71/72/696717172.db2.gz XWQJFWNILDIXPS-XHSDSOJGSA-N 2 1 300.406 1.041 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC000980244179 696717173 /nfs/dbraw/zinc/71/71/73/696717173.db2.gz XWQJFWNILDIXPS-XHSDSOJGSA-N 2 1 300.406 1.041 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C[C@@H]2C1 ZINC000980274178 696724986 /nfs/dbraw/zinc/72/49/86/696724986.db2.gz MIHWOGSAEWHNDB-XHSDSOJGSA-N 2 1 302.422 1.676 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972340980 695221474 /nfs/dbraw/zinc/22/14/74/695221474.db2.gz XSHYPVJEGKLVRA-GJZGRUSLSA-N 2 1 302.422 1.473 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC000972340980 695221476 /nfs/dbraw/zinc/22/14/76/695221476.db2.gz XSHYPVJEGKLVRA-GJZGRUSLSA-N 2 1 302.422 1.473 20 30 DDEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3CC(C)C)[C@@H]2C1 ZINC000978417456 696379424 /nfs/dbraw/zinc/37/94/24/696379424.db2.gz RUFVVDJEFPROEL-WCXIOVBPSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978417456 696379427 /nfs/dbraw/zinc/37/94/27/696379427.db2.gz RUFVVDJEFPROEL-WCXIOVBPSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3CC(C)C)[C@@H]2C1 ZINC000978417456 696379429 /nfs/dbraw/zinc/37/94/29/696379429.db2.gz RUFVVDJEFPROEL-WCXIOVBPSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980141043 696690614 /nfs/dbraw/zinc/69/06/14/696690614.db2.gz JTHCILQRMYNCTI-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3c[nH+]cc3C)C[C@H]2C1 ZINC000980141043 696690618 /nfs/dbraw/zinc/69/06/18/696690618.db2.gz JTHCILQRMYNCTI-YESZJQIVSA-N 2 1 314.433 1.432 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767278 696908662 /nfs/dbraw/zinc/90/86/62/696908662.db2.gz LFQHWFAJHGBTLV-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767278 696908665 /nfs/dbraw/zinc/90/86/65/696908665.db2.gz LFQHWFAJHGBTLV-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767278 696908668 /nfs/dbraw/zinc/90/86/68/696908668.db2.gz LFQHWFAJHGBTLV-IAGOWNOFSA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)C1 ZINC000981965385 696987881 /nfs/dbraw/zinc/98/78/81/696987881.db2.gz WFDRQXRQPGCLIT-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981965385 696987882 /nfs/dbraw/zinc/98/78/82/696987882.db2.gz WFDRQXRQPGCLIT-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC000981965385 696987884 /nfs/dbraw/zinc/98/78/84/696987884.db2.gz WFDRQXRQPGCLIT-HOTGVXAUSA-N 2 1 303.450 1.274 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152467 697019517 /nfs/dbraw/zinc/01/95/17/697019517.db2.gz JXSDBWCDGZCHFQ-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000981152467 697019520 /nfs/dbraw/zinc/01/95/20/697019520.db2.gz JXSDBWCDGZCHFQ-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000981152467 697019523 /nfs/dbraw/zinc/01/95/23/697019523.db2.gz JXSDBWCDGZCHFQ-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000981152467 697019526 /nfs/dbraw/zinc/01/95/26/697019526.db2.gz JXSDBWCDGZCHFQ-DLBZAZTESA-N 2 1 303.450 1.418 20 30 DDEDMP C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331220 697067786 /nfs/dbraw/zinc/06/77/86/697067786.db2.gz KEQDQKBTVNKJOQ-OAHLLOKOSA-N 2 1 302.422 1.871 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331220 697067789 /nfs/dbraw/zinc/06/77/89/697067789.db2.gz KEQDQKBTVNKJOQ-OAHLLOKOSA-N 2 1 302.422 1.871 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981331979 697067972 /nfs/dbraw/zinc/06/79/72/697067972.db2.gz OQMBONXCOQUDDQ-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000981331979 697067973 /nfs/dbraw/zinc/06/79/73/697067973.db2.gz OQMBONXCOQUDDQ-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000981331979 697067974 /nfs/dbraw/zinc/06/79/74/697067974.db2.gz OQMBONXCOQUDDQ-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000981331979 697067975 /nfs/dbraw/zinc/06/79/75/697067975.db2.gz OQMBONXCOQUDDQ-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CC[N@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000985804332 697576977 /nfs/dbraw/zinc/57/69/77/697576977.db2.gz OBNWWXNLMULQOI-UHFFFAOYSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC000986961011 697960323 /nfs/dbraw/zinc/96/03/23/697960323.db2.gz PYEJHJHOYQMRIJ-ZFWWWQNUSA-N 2 1 316.405 1.096 20 30 DDEDMP CC[NH+]=C(NC[C@@H]1CC1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261616574 698429757 /nfs/dbraw/zinc/42/97/57/698429757.db2.gz AVMZWMWIEDZKIX-CVEARBPZSA-N 2 1 322.497 1.652 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CCN(CC(F)(F)F)C1 ZINC000303881812 698609265 /nfs/dbraw/zinc/60/92/65/698609265.db2.gz LDKNESXZVNADSU-RYUDHWBXSA-N 2 1 321.391 1.012 20 30 DDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000304467701 698621570 /nfs/dbraw/zinc/62/15/70/698621570.db2.gz DTDJLLLDCUCGNW-IRXDYDNUSA-N 2 1 316.449 1.417 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000304764069 698625060 /nfs/dbraw/zinc/62/50/60/698625060.db2.gz XNTBAFVSYKORPQ-HNNXBMFYSA-N 2 1 306.454 1.838 20 30 DDEDMP CCOCCCNC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000304764069 698625063 /nfs/dbraw/zinc/62/50/63/698625063.db2.gz XNTBAFVSYKORPQ-HNNXBMFYSA-N 2 1 306.454 1.838 20 30 DDEDMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000989513042 698652468 /nfs/dbraw/zinc/65/24/68/698652468.db2.gz BYEBFZNWNFFGJL-LSDHHAIUSA-N 2 1 302.422 1.609 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730098210 699501040 /nfs/dbraw/zinc/50/10/40/699501040.db2.gz ZTEOBCVGZCEVRG-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000730098210 699501041 /nfs/dbraw/zinc/50/10/41/699501041.db2.gz ZTEOBCVGZCEVRG-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730098210 699501042 /nfs/dbraw/zinc/50/10/42/699501042.db2.gz ZTEOBCVGZCEVRG-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000730098210 699501043 /nfs/dbraw/zinc/50/10/43/699501043.db2.gz ZTEOBCVGZCEVRG-BBWFWOEESA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCN1CC[C@@H]([N@@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000879127135 706594092 /nfs/dbraw/zinc/59/40/92/706594092.db2.gz RPTGEAHHSWVTQM-MRXNPFEDSA-N 2 1 309.454 1.064 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000855735542 704499878 /nfs/dbraw/zinc/49/98/78/704499878.db2.gz UPCBZYLJAALSJH-GOSISDBHSA-N 2 1 315.461 1.880 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000876890457 705911176 /nfs/dbraw/zinc/91/11/76/705911176.db2.gz ZOCVBYDMJIJCNO-CYBMUJFWSA-N 2 1 317.861 1.273 20 30 DDEDMP Cc1ccc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)cc1C#N ZINC000863465300 705935230 /nfs/dbraw/zinc/93/52/30/705935230.db2.gz AQERRKUFMZJFGX-MRXNPFEDSA-N 2 1 316.405 1.974 20 30 DDEDMP Cc1ccc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)cc1C#N ZINC000863465300 705935236 /nfs/dbraw/zinc/93/52/36/705935236.db2.gz AQERRKUFMZJFGX-MRXNPFEDSA-N 2 1 316.405 1.974 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876951649 705935914 /nfs/dbraw/zinc/93/59/14/705935914.db2.gz FACZQEKGOCOJQI-WUHRBBMRSA-N 2 1 303.834 1.070 20 30 DDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000876951649 705935917 /nfs/dbraw/zinc/93/59/17/705935917.db2.gz FACZQEKGOCOJQI-WUHRBBMRSA-N 2 1 303.834 1.070 20 30 DDEDMP C#C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCOCC1 ZINC000827554254 706025732 /nfs/dbraw/zinc/02/57/32/706025732.db2.gz BVQQEQANKCWEKA-ROUUACIJSA-N 2 1 306.450 1.648 20 30 DDEDMP C=CCN1CCN(C[N@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000872634289 707524734 /nfs/dbraw/zinc/52/47/34/707524734.db2.gz ZFDIBJXZYRDFRO-UHFFFAOYSA-N 2 1 324.469 1.158 20 30 DDEDMP C=CCN1CCN(C[N@@H+](CCOC)CC2CC[NH+](C)CC2)C1=O ZINC000872634289 707524738 /nfs/dbraw/zinc/52/47/38/707524738.db2.gz ZFDIBJXZYRDFRO-UHFFFAOYSA-N 2 1 324.469 1.158 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000884199469 708185145 /nfs/dbraw/zinc/18/51/45/708185145.db2.gz AKUFGNOOPAYBNI-IAGOWNOFSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000884199469 708185148 /nfs/dbraw/zinc/18/51/48/708185148.db2.gz AKUFGNOOPAYBNI-IAGOWNOFSA-N 2 1 320.481 1.505 20 30 DDEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884218968 708195929 /nfs/dbraw/zinc/19/59/29/708195929.db2.gz DIWAGJUXHSLIGC-UERKLNTKSA-N 2 1 318.465 1.220 20 30 DDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886091839 708696555 /nfs/dbraw/zinc/69/65/55/708696555.db2.gz HRQKRYIAEWFKLR-INIZCTEOSA-N 2 1 308.470 1.001 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000890375104 709845649 /nfs/dbraw/zinc/84/56/49/709845649.db2.gz RMIJMUJCTMZHAA-KRWDZBQOSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000890375104 709845656 /nfs/dbraw/zinc/84/56/56/709845656.db2.gz RMIJMUJCTMZHAA-KRWDZBQOSA-N 2 1 320.481 1.457 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000890377251 709847319 /nfs/dbraw/zinc/84/73/19/709847319.db2.gz SPMZKAQSVPMMJD-QGZVFWFLSA-N 2 1 320.481 1.696 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000890377251 709847322 /nfs/dbraw/zinc/84/73/22/709847322.db2.gz SPMZKAQSVPMMJD-QGZVFWFLSA-N 2 1 320.481 1.696 20 30 DDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000892851989 710512994 /nfs/dbraw/zinc/51/29/94/710512994.db2.gz VLNQVGUCOGUCMF-HNNXBMFYSA-N 2 1 308.470 1.668 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000911900355 711059070 /nfs/dbraw/zinc/05/90/70/711059070.db2.gz MZSMSYPUVUYUDA-SFHVURJKSA-N 2 1 315.461 1.880 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000911900355 711059074 /nfs/dbraw/zinc/05/90/74/711059074.db2.gz MZSMSYPUVUYUDA-SFHVURJKSA-N 2 1 315.461 1.880 20 30 DDEDMP N#CC1CCC(C[N@@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)CC1 ZINC000903476425 711138155 /nfs/dbraw/zinc/13/81/55/711138155.db2.gz WOOAGMVJAIPSNP-MTERUZRBSA-N 2 1 318.421 1.183 20 30 DDEDMP COCC[N@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]CC1CC1 ZINC000912506279 711357195 /nfs/dbraw/zinc/35/71/95/711357195.db2.gz LLLSDACHXRZEEE-OAHLLOKOSA-N 2 1 310.486 1.841 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000928652919 713252584 /nfs/dbraw/zinc/25/25/84/713252584.db2.gz RFUGQVCZLBKDOA-GOSISDBHSA-N 2 1 317.477 1.997 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000913870589 713312561 /nfs/dbraw/zinc/31/25/61/713312561.db2.gz WPDBSUSLIBPOMM-OAHLLOKOSA-N 2 1 318.421 1.279 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000914074458 713338881 /nfs/dbraw/zinc/33/88/81/713338881.db2.gz FWSROUQMKXSJJT-HZPDHXFCSA-N 2 1 320.481 1.504 20 30 DDEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434098 714096493 /nfs/dbraw/zinc/09/64/93/714096493.db2.gz MLCHCUZOYSROAT-CWRNSKLLSA-N 2 1 312.417 1.769 20 30 DDEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434098 714096495 /nfs/dbraw/zinc/09/64/95/714096495.db2.gz MLCHCUZOYSROAT-CWRNSKLLSA-N 2 1 312.417 1.769 20 30 DDEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434098 714096496 /nfs/dbraw/zinc/09/64/96/714096496.db2.gz MLCHCUZOYSROAT-CWRNSKLLSA-N 2 1 312.417 1.769 20 30 DDEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434098 714096497 /nfs/dbraw/zinc/09/64/97/714096497.db2.gz MLCHCUZOYSROAT-CWRNSKLLSA-N 2 1 312.417 1.769 20 30 DDEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434098 714096499 /nfs/dbraw/zinc/09/64/99/714096499.db2.gz MLCHCUZOYSROAT-CWRNSKLLSA-N 2 1 312.417 1.769 20 30 DDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923491048 714375233 /nfs/dbraw/zinc/37/52/33/714375233.db2.gz HASJJEZCDWVWDB-FVQBIDKESA-N 2 1 303.406 1.215 20 30 DDEDMP C#CCC[NH+]1CC(N(CC)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000957075019 715734350 /nfs/dbraw/zinc/73/43/50/715734350.db2.gz LFUKLOIHSQWMBQ-UHFFFAOYSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067308 717093039 /nfs/dbraw/zinc/09/30/39/717093039.db2.gz AMSHCNSKNFGJIP-HNNXBMFYSA-N 2 1 316.449 1.856 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C(C)(C)C1 ZINC000941067308 717093041 /nfs/dbraw/zinc/09/30/41/717093041.db2.gz AMSHCNSKNFGJIP-HNNXBMFYSA-N 2 1 316.449 1.856 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962310818 717398994 /nfs/dbraw/zinc/39/89/94/717398994.db2.gz IUCGESCITLAVNQ-FOLVSLTJSA-N 2 1 300.406 1.384 20 30 DDEDMP C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH+]ccc1N(C)C ZINC000962310818 717398997 /nfs/dbraw/zinc/39/89/97/717398997.db2.gz IUCGESCITLAVNQ-FOLVSLTJSA-N 2 1 300.406 1.384 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC000942518583 717714905 /nfs/dbraw/zinc/71/49/05/717714905.db2.gz UEEPEEAREOKYKE-YOEHRIQHSA-N 2 1 310.401 1.798 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](C)C1 ZINC000942581876 717760827 /nfs/dbraw/zinc/76/08/27/717760827.db2.gz OENPJOUKTMKBQW-GOEBONIOSA-N 2 1 317.433 1.805 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633527 718860600 /nfs/dbraw/zinc/86/06/00/718860600.db2.gz XRRQBRWEFPQKKB-KSZLIROESA-N 2 1 319.493 1.766 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967401575 718871063 /nfs/dbraw/zinc/87/10/63/718871063.db2.gz DPYUPJBTIIQHFV-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC000967401575 718871067 /nfs/dbraw/zinc/87/10/67/718871067.db2.gz DPYUPJBTIIQHFV-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947505891 719190716 /nfs/dbraw/zinc/19/07/16/719190716.db2.gz GJGLWMQKXQRNGE-GDBMZVCRSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947552721 719209337 /nfs/dbraw/zinc/20/93/37/719209337.db2.gz XNGRSHIGBCCGKC-HOCLYGCPSA-N 2 1 310.401 1.940 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000968548605 719659677 /nfs/dbraw/zinc/65/96/77/719659677.db2.gz HPZMVXXJMBQJQX-JKSUJKDBSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553706 719662626 /nfs/dbraw/zinc/66/26/26/719662626.db2.gz OPMVFWLTZITGPV-HOCLYGCPSA-N 2 1 314.433 1.611 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000968553706 719662628 /nfs/dbraw/zinc/66/26/28/719662628.db2.gz OPMVFWLTZITGPV-HOCLYGCPSA-N 2 1 314.433 1.611 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000948765789 719694960 /nfs/dbraw/zinc/69/49/60/719694960.db2.gz CUXRDZOCPQEHKD-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000948765789 719694961 /nfs/dbraw/zinc/69/49/61/719694961.db2.gz CUXRDZOCPQEHKD-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC#CC[NH+]1CCC[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000948765789 719694962 /nfs/dbraw/zinc/69/49/62/719694962.db2.gz CUXRDZOCPQEHKD-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000968906767 719859375 /nfs/dbraw/zinc/85/93/75/719859375.db2.gz GKVXYUZUWASEON-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000968906767 719859378 /nfs/dbraw/zinc/85/93/78/719859378.db2.gz GKVXYUZUWASEON-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968906767 719859381 /nfs/dbraw/zinc/85/93/81/719859381.db2.gz GKVXYUZUWASEON-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000968906767 719859383 /nfs/dbraw/zinc/85/93/83/719859383.db2.gz GKVXYUZUWASEON-BRWVUGGUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC000968907849 719860766 /nfs/dbraw/zinc/86/07/66/719860766.db2.gz VTHPAQJTARBMMF-GDBMZVCRSA-N 2 1 307.438 1.006 20 30 DDEDMP CC#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000970027530 720603836 /nfs/dbraw/zinc/60/38/36/720603836.db2.gz NZXHNBAMZBENFZ-RDJZCZTQSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000970529293 720798289 /nfs/dbraw/zinc/79/82/89/720798289.db2.gz NXHWDUCSQQQKFT-RDJZCZTQSA-N 2 1 305.466 1.709 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001023757504 735442507 /nfs/dbraw/zinc/44/25/07/735442507.db2.gz IFCGLEUFFVYXHO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001023757504 735442508 /nfs/dbraw/zinc/44/25/08/735442508.db2.gz IFCGLEUFFVYXHO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001023757504 735442509 /nfs/dbraw/zinc/44/25/09/735442509.db2.gz IFCGLEUFFVYXHO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757504 735442510 /nfs/dbraw/zinc/44/25/10/735442510.db2.gz IFCGLEUFFVYXHO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001023757504 735442511 /nfs/dbraw/zinc/44/25/11/735442511.db2.gz IFCGLEUFFVYXHO-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001023763561 735449570 /nfs/dbraw/zinc/44/95/70/735449570.db2.gz SKUYMNNTPXKPPX-MRXNPFEDSA-N 2 1 313.445 1.823 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC#CC)C2)CC1 ZINC001023761989 735450238 /nfs/dbraw/zinc/45/02/38/735450238.db2.gz OLQBNZLUNABQJM-KRWDZBQOSA-N 2 1 315.461 1.183 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577542 738425450 /nfs/dbraw/zinc/42/54/50/738425450.db2.gz NFJGFNZJXCHOGH-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001027577542 738425451 /nfs/dbraw/zinc/42/54/51/738425451.db2.gz NFJGFNZJXCHOGH-CVEARBPZSA-N 2 1 316.449 1.863 20 30 DDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265153 733080741 /nfs/dbraw/zinc/08/07/41/733080741.db2.gz VUJMCHNRZYJMSS-KZNAEPCWSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001039173011 733082662 /nfs/dbraw/zinc/08/26/62/733082662.db2.gz LALFKAWDDGWKJZ-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173011 733082666 /nfs/dbraw/zinc/08/26/66/733082666.db2.gz LALFKAWDDGWKJZ-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001039173011 733082671 /nfs/dbraw/zinc/08/26/71/733082671.db2.gz LALFKAWDDGWKJZ-QZTJIDSGSA-N 2 1 317.477 1.522 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635036 733388736 /nfs/dbraw/zinc/38/87/36/733388736.db2.gz HLMYRKBXQHBESZ-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2c[nH+]cc2C)C1 ZINC001021635036 733388739 /nfs/dbraw/zinc/38/87/39/733388739.db2.gz HLMYRKBXQHBESZ-HZPDHXFCSA-N 2 1 302.422 1.690 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001039388319 733654682 /nfs/dbraw/zinc/65/46/82/733654682.db2.gz LDRPIHXFUYHEMB-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001039388319 733654685 /nfs/dbraw/zinc/65/46/85/733654685.db2.gz LDRPIHXFUYHEMB-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[N@H+]1C ZINC001039388319 733654687 /nfs/dbraw/zinc/65/46/87/733654687.db2.gz LDRPIHXFUYHEMB-KURKYZTESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001027884516 738771540 /nfs/dbraw/zinc/77/15/40/738771540.db2.gz AMKXCCBKSYFUFY-AEFFLSMTSA-N 2 1 317.477 1.855 20 30 DDEDMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001022721749 734733753 /nfs/dbraw/zinc/73/37/53/734733753.db2.gz XQCFWJXCHMZYIX-OKILXGFUSA-N 2 1 318.421 1.697 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247713 734806326 /nfs/dbraw/zinc/80/63/26/734806326.db2.gz CDUNSXSOKNQRPX-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C1 ZINC001083247713 734806330 /nfs/dbraw/zinc/80/63/30/734806330.db2.gz CDUNSXSOKNQRPX-IXDOHACOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3nccn3C2)C1 ZINC001023447859 735243536 /nfs/dbraw/zinc/24/35/36/735243536.db2.gz YUJCFQRQUXZQIN-HUUCEWRRSA-N 2 1 302.422 1.460 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453937 735245206 /nfs/dbraw/zinc/24/52/06/735245206.db2.gz LKDIZJGUGNRHRN-AWEZNQCLSA-N 2 1 320.437 1.754 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001023453937 735245211 /nfs/dbraw/zinc/24/52/11/735245211.db2.gz LKDIZJGUGNRHRN-AWEZNQCLSA-N 2 1 320.437 1.754 20 30 DDEDMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436625 735816630 /nfs/dbraw/zinc/81/66/30/735816630.db2.gz GBOMEXPMWNCDTC-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001024436625 735816634 /nfs/dbraw/zinc/81/66/34/735816634.db2.gz GBOMEXPMWNCDTC-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001024436625 735816637 /nfs/dbraw/zinc/81/66/37/735816637.db2.gz GBOMEXPMWNCDTC-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436625 735816641 /nfs/dbraw/zinc/81/66/41/735816641.db2.gz GBOMEXPMWNCDTC-IAGOWNOFSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001024467744 735850070 /nfs/dbraw/zinc/85/00/70/735850070.db2.gz GKQSOUJABSWAJA-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024467744 735850074 /nfs/dbraw/zinc/85/00/74/735850074.db2.gz GKQSOUJABSWAJA-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001024467744 735850080 /nfs/dbraw/zinc/85/00/80/735850080.db2.gz GKQSOUJABSWAJA-SJORKVTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001024613578 735982817 /nfs/dbraw/zinc/98/28/17/735982817.db2.gz AEVWKFWEQTXVSZ-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024613578 735982822 /nfs/dbraw/zinc/98/28/22/735982822.db2.gz AEVWKFWEQTXVSZ-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001024613578 735982825 /nfs/dbraw/zinc/98/28/25/735982825.db2.gz AEVWKFWEQTXVSZ-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3ncc[nH]3)C(C)(C)[C@@H]21 ZINC001087310013 736039921 /nfs/dbraw/zinc/03/99/21/736039921.db2.gz PMADDCBIVFYBTG-DAXOMENPSA-N 2 1 300.406 1.191 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001024812719 736108404 /nfs/dbraw/zinc/10/84/04/736108404.db2.gz ROUFXXAGARYLJR-QGZVFWFLSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947610 736171375 /nfs/dbraw/zinc/17/13/75/736171375.db2.gz RLZWIHBYNFNJAQ-WMZOPIPTSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025782090 736852055 /nfs/dbraw/zinc/85/20/55/736852055.db2.gz ZEEHEWIAUPDFFD-LEOABGAYSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC001025782090 736852057 /nfs/dbraw/zinc/85/20/57/736852057.db2.gz ZEEHEWIAUPDFFD-LEOABGAYSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001025782090 736852062 /nfs/dbraw/zinc/85/20/62/736852062.db2.gz ZEEHEWIAUPDFFD-LEOABGAYSA-N 2 1 323.868 1.660 20 30 DDEDMP C=C(Cl)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001025782090 736852066 /nfs/dbraw/zinc/85/20/66/736852066.db2.gz ZEEHEWIAUPDFFD-LEOABGAYSA-N 2 1 323.868 1.660 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026508805 737626370 /nfs/dbraw/zinc/62/63/70/737626370.db2.gz LUVNKWGJIIENET-JCYILVPMSA-N 2 1 303.450 1.511 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001026508805 737626371 /nfs/dbraw/zinc/62/63/71/737626371.db2.gz LUVNKWGJIIENET-JCYILVPMSA-N 2 1 303.450 1.511 20 30 DDEDMP C=CC[NH2+]C1CCC(NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001026518858 737631605 /nfs/dbraw/zinc/63/16/05/737631605.db2.gz MPQSRZYGYUFMLM-UHFFFAOYSA-N 2 1 306.410 1.553 20 30 DDEDMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001028093330 739022773 /nfs/dbraw/zinc/02/27/73/739022773.db2.gz KEBRDTRZWVZIPC-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028093330 739022777 /nfs/dbraw/zinc/02/27/77/739022777.db2.gz KEBRDTRZWVZIPC-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001028093330 739022779 /nfs/dbraw/zinc/02/27/79/739022779.db2.gz KEBRDTRZWVZIPC-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138457 739080781 /nfs/dbraw/zinc/08/07/81/739080781.db2.gz TUNXAHAYYNDNKJ-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001028138457 739080786 /nfs/dbraw/zinc/08/07/86/739080786.db2.gz TUNXAHAYYNDNKJ-JKSUJKDBSA-N 2 1 316.449 1.911 20 30 DDEDMP C=CCC[NH2+]CC1(CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001167900291 739216004 /nfs/dbraw/zinc/21/60/04/739216004.db2.gz GFEDPWCGDORAQM-SFHVURJKSA-N 2 1 305.466 1.925 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001028333383 739366154 /nfs/dbraw/zinc/36/61/54/739366154.db2.gz IUWLTEWSQDPUHW-IRXDYDNUSA-N 2 1 323.456 1.660 20 30 DDEDMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001035364936 751450052 /nfs/dbraw/zinc/45/00/52/751450052.db2.gz FMRSENDPGBVOCO-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035364936 751450054 /nfs/dbraw/zinc/45/00/54/751450054.db2.gz FMRSENDPGBVOCO-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035364936 751450056 /nfs/dbraw/zinc/45/00/56/751450056.db2.gz FMRSENDPGBVOCO-IRXDYDNUSA-N 2 1 323.481 1.642 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001028603687 739781823 /nfs/dbraw/zinc/78/18/23/739781823.db2.gz HFFQRKFQGQMDON-OYROCLPXSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001028603687 739781826 /nfs/dbraw/zinc/78/18/26/739781826.db2.gz HFFQRKFQGQMDON-OYROCLPXSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001028603687 739781828 /nfs/dbraw/zinc/78/18/28/739781828.db2.gz HFFQRKFQGQMDON-OYROCLPXSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C/C=C/Cl)C1 ZINC001028603687 739781831 /nfs/dbraw/zinc/78/18/31/739781831.db2.gz HFFQRKFQGQMDON-OYROCLPXSA-N 2 1 309.841 1.275 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001028764675 740008828 /nfs/dbraw/zinc/00/88/28/740008828.db2.gz AQZBWOYUDGJUAC-CQSZACIVSA-N 2 1 303.406 1.416 20 30 DDEDMP C=CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028915777 740170389 /nfs/dbraw/zinc/17/03/89/740170389.db2.gz FLBOHWSJDJQHAZ-INIZCTEOSA-N 2 1 305.466 1.733 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001029004434 740249817 /nfs/dbraw/zinc/24/98/17/740249817.db2.gz XHEDNCBOBWWMEH-RDJZCZTQSA-N 2 1 323.456 1.518 20 30 DDEDMP C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CC ZINC001037878084 751527210 /nfs/dbraw/zinc/52/72/10/751527210.db2.gz XAJZANZOCHLQRS-CVEARBPZSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H]1CC ZINC001087671371 740702696 /nfs/dbraw/zinc/70/26/96/740702696.db2.gz AGQCBQAPLNUAOE-RCCFBDPRSA-N 2 1 317.477 1.853 20 30 DDEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]2C1 ZINC001087968635 740896233 /nfs/dbraw/zinc/89/62/33/740896233.db2.gz CIOGSCCVUITRQO-IKGGRYGDSA-N 2 1 303.450 1.295 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC=C)C1 ZINC001088329144 741393482 /nfs/dbraw/zinc/39/34/82/741393482.db2.gz OQBHDAUPPGKFNV-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC=C)C1 ZINC001088329144 741393483 /nfs/dbraw/zinc/39/34/83/741393483.db2.gz OQBHDAUPPGKFNV-SJORKVTESA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001088368614 741437807 /nfs/dbraw/zinc/43/78/07/741437807.db2.gz OGLWNHISCOZUIO-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001088368614 741437809 /nfs/dbraw/zinc/43/78/09/741437809.db2.gz OGLWNHISCOZUIO-IAGOWNOFSA-N 2 1 321.465 1.090 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001088399692 741462634 /nfs/dbraw/zinc/46/26/34/741462634.db2.gz QZOONIJFVZAHGN-QGZVFWFLSA-N 2 1 323.481 1.646 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001088428022 741486741 /nfs/dbraw/zinc/48/67/41/741486741.db2.gz JIIFLWQOYPVGTO-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001088428022 741486746 /nfs/dbraw/zinc/48/67/46/741486746.db2.gz JIIFLWQOYPVGTO-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001168241142 741839349 /nfs/dbraw/zinc/83/93/49/741839349.db2.gz SZMAYOLXHBGSSH-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001168241142 741839352 /nfs/dbraw/zinc/83/93/52/741839352.db2.gz SZMAYOLXHBGSSH-HNNXBMFYSA-N 2 1 309.454 1.159 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C ZINC001088631496 742028779 /nfs/dbraw/zinc/02/87/79/742028779.db2.gz NSRBYRWYPAHIHS-PVAVHDDUSA-N 2 1 303.450 1.463 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658400 742055237 /nfs/dbraw/zinc/05/52/37/742055237.db2.gz XZPHNCHUYPOZQL-LVQVYYBASA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658400 742055244 /nfs/dbraw/zinc/05/52/44/742055244.db2.gz XZPHNCHUYPOZQL-LVQVYYBASA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658400 742055249 /nfs/dbraw/zinc/05/52/49/742055249.db2.gz XZPHNCHUYPOZQL-LVQVYYBASA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001088658400 742055255 /nfs/dbraw/zinc/05/52/55/742055255.db2.gz XZPHNCHUYPOZQL-LVQVYYBASA-N 2 1 309.454 1.251 20 30 DDEDMP C#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001105577459 742124651 /nfs/dbraw/zinc/12/46/51/742124651.db2.gz VAFJEZJMXBAFDZ-DLBZAZTESA-N 2 1 317.477 1.712 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001168335880 742198629 /nfs/dbraw/zinc/19/86/29/742198629.db2.gz YPRUACQPTSMOBE-MRXNPFEDSA-N 2 1 305.466 1.760 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088751752 742286340 /nfs/dbraw/zinc/28/63/40/742286340.db2.gz DJYKUYQOHCJHLA-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1C ZINC001088751752 742286343 /nfs/dbraw/zinc/28/63/43/742286343.db2.gz DJYKUYQOHCJHLA-CABCVRRESA-N 2 1 316.449 1.917 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242892 742622613 /nfs/dbraw/zinc/62/26/13/742622613.db2.gz VTNZQYDFTSGZJL-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242892 742622617 /nfs/dbraw/zinc/62/26/17/742622617.db2.gz VTNZQYDFTSGZJL-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242892 742622621 /nfs/dbraw/zinc/62/26/21/742622621.db2.gz VTNZQYDFTSGZJL-IXDOHACOSA-N 2 1 305.466 1.827 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001002160306 742904503 /nfs/dbraw/zinc/90/45/03/742904503.db2.gz WARUVLAJDVLPJF-KRWDZBQOSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCF)C1 ZINC001181764687 743332885 /nfs/dbraw/zinc/33/28/85/743332885.db2.gz UKANXJBFCCJAGW-SOLBZPMBSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCCF)C1 ZINC001181764687 743332895 /nfs/dbraw/zinc/33/28/95/743332895.db2.gz UKANXJBFCCJAGW-SOLBZPMBSA-N 2 1 323.456 1.518 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001181763700 743333026 /nfs/dbraw/zinc/33/30/26/743333026.db2.gz HLPIYUGPBUWZNP-SOLBZPMBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]C(C)C)C1 ZINC001181763700 743333033 /nfs/dbraw/zinc/33/30/33/743333033.db2.gz HLPIYUGPBUWZNP-SOLBZPMBSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)C1 ZINC001039247461 761886663 /nfs/dbraw/zinc/88/66/63/761886663.db2.gz WFKRPGMIFNEAHX-IRXDYDNUSA-N 2 1 315.461 1.418 20 30 DDEDMP CC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001181904430 743386425 /nfs/dbraw/zinc/38/64/25/743386425.db2.gz SQFWJUXTWIILFT-JFIYKMOQSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CC[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001181974950 743438154 /nfs/dbraw/zinc/43/81/54/743438154.db2.gz DEEZDNAFNUHEMA-ZIFCJYIRSA-N 2 1 319.493 1.814 20 30 DDEDMP C#CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001183256517 743811159 /nfs/dbraw/zinc/81/11/59/743811159.db2.gz YCOZCPJAMIDFDR-WBVHZDCISA-N 2 1 303.450 1.607 20 30 DDEDMP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC001035795612 751884339 /nfs/dbraw/zinc/88/43/39/751884339.db2.gz WYYKSAKYHWHPQS-HOTGVXAUSA-N 2 1 303.450 1.132 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001184810307 744105985 /nfs/dbraw/zinc/10/59/85/744105985.db2.gz NFCAZCAHMVZWJX-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2C#N)C1 ZINC001185385209 744213366 /nfs/dbraw/zinc/21/33/66/744213366.db2.gz MMBWDNRSWJVSFT-MRXNPFEDSA-N 2 1 318.396 1.340 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860351 744244742 /nfs/dbraw/zinc/24/47/42/744244742.db2.gz HZQFRYOTUBZDTK-RVKKMQEKSA-N 2 1 323.456 1.801 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860351 744244745 /nfs/dbraw/zinc/24/47/45/744244745.db2.gz HZQFRYOTUBZDTK-RVKKMQEKSA-N 2 1 323.456 1.801 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860351 744244748 /nfs/dbraw/zinc/24/47/48/744244748.db2.gz HZQFRYOTUBZDTK-RVKKMQEKSA-N 2 1 323.456 1.801 20 30 DDEDMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860351 744244751 /nfs/dbraw/zinc/24/47/51/744244751.db2.gz HZQFRYOTUBZDTK-RVKKMQEKSA-N 2 1 323.456 1.801 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001185681766 744266605 /nfs/dbraw/zinc/26/66/05/744266605.db2.gz MPFXCQWNBCWJKH-GDBMZVCRSA-N 2 1 304.438 1.842 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001186329526 744386914 /nfs/dbraw/zinc/38/69/14/744386914.db2.gz MUZJPGVSHKODFN-CQSZACIVSA-N 2 1 310.829 1.915 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C12CCC2 ZINC001203169226 744537871 /nfs/dbraw/zinc/53/78/71/744537871.db2.gz QKTHPDUIMZFBNM-CABCVRRESA-N 2 1 300.406 1.232 20 30 DDEDMP C#CCC[N@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC000992286800 744750239 /nfs/dbraw/zinc/75/02/39/744750239.db2.gz OLXSJGBNEVRQFX-PKOBYXMFSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3cncn3C)CCC[C@H]12 ZINC000992396534 744851948 /nfs/dbraw/zinc/85/19/48/744851948.db2.gz MMBYBQDUGIQXJX-DOTOQJQBSA-N 2 1 302.422 1.652 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)CC2 ZINC001035855442 751952557 /nfs/dbraw/zinc/95/25/57/751952557.db2.gz MSNZPVYLZZDHTJ-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)CC2 ZINC001035855442 751952561 /nfs/dbraw/zinc/95/25/61/751952561.db2.gz MSNZPVYLZZDHTJ-MRXNPFEDSA-N 2 1 321.465 1.208 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC)CC3)CC1 ZINC000992505033 744924930 /nfs/dbraw/zinc/92/49/30/744924930.db2.gz HIWAUIBOBTWMMO-HKUYNNGSSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488253 746117707 /nfs/dbraw/zinc/11/77/07/746117707.db2.gz NSWFGAHMELFJRU-JKSUJKDBSA-N 2 1 311.470 1.452 20 30 DDEDMP CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993615924 746234523 /nfs/dbraw/zinc/23/45/23/746234523.db2.gz PHUCXMXAFIGXTP-RHSMWYFYSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCC(=C)C)C2)CC1 ZINC001194246023 746319059 /nfs/dbraw/zinc/31/90/59/746319059.db2.gz JBKMNFYXUIYHNK-SFHVURJKSA-N 2 1 317.477 1.831 20 30 DDEDMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106874584 746549143 /nfs/dbraw/zinc/54/91/43/746549143.db2.gz LRRRKYUSNSCBBK-BRWVUGGUSA-N 2 1 307.482 1.979 20 30 DDEDMP COCC#CC[N@@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196199751 746795509 /nfs/dbraw/zinc/79/55/09/746795509.db2.gz BJPPZNKSSHXVBL-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[N@H+]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001196199751 746795511 /nfs/dbraw/zinc/79/55/11/746795511.db2.gz BJPPZNKSSHXVBL-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001196199751 746795512 /nfs/dbraw/zinc/79/55/12/746795512.db2.gz BJPPZNKSSHXVBL-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP COCC#CC[NH+]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001196199751 746795514 /nfs/dbraw/zinc/79/55/14/746795514.db2.gz BJPPZNKSSHXVBL-QGZVFWFLSA-N 2 1 321.465 1.045 20 30 DDEDMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC(C)(C)C1 ZINC001089559167 747218766 /nfs/dbraw/zinc/21/87/66/747218766.db2.gz NJPZZCNXMMAPAZ-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559167 747218768 /nfs/dbraw/zinc/21/87/68/747218768.db2.gz NJPZZCNXMMAPAZ-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001089559167 747218772 /nfs/dbraw/zinc/21/87/72/747218772.db2.gz NJPZZCNXMMAPAZ-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127674542 748111115 /nfs/dbraw/zinc/11/11/15/748111115.db2.gz JIUXZZQYPIYKBD-AWEZNQCLSA-N 2 1 308.426 1.305 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCO1 ZINC001200479914 748254013 /nfs/dbraw/zinc/25/40/13/748254013.db2.gz TVVMKACRSBRIQB-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCCO1 ZINC001202147580 748696178 /nfs/dbraw/zinc/69/61/78/748696178.db2.gz HYDKALXXUSFBGN-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCCO1 ZINC001202163862 748701673 /nfs/dbraw/zinc/70/16/73/748701673.db2.gz IXDBPSJJBCPQAU-INIZCTEOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099557240 749059655 /nfs/dbraw/zinc/05/96/55/749059655.db2.gz ZMAWDRPCWWIYII-XSLAGTTESA-N 2 1 317.477 1.519 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C[NH+](C)C(C)C)C1 ZINC001099557240 749059662 /nfs/dbraw/zinc/05/96/62/749059662.db2.gz ZMAWDRPCWWIYII-XSLAGTTESA-N 2 1 317.477 1.519 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039375025 761976282 /nfs/dbraw/zinc/97/62/82/761976282.db2.gz OKMIAFDPRJCABQ-SQNIBIBYSA-N 2 1 315.461 1.417 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646850 750307762 /nfs/dbraw/zinc/30/77/62/750307762.db2.gz ZBIUAKAWJGUTOP-SJLPKXTDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045589 750312692 /nfs/dbraw/zinc/31/26/92/750312692.db2.gz MAJQMFFURIQNEQ-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034045589 750312700 /nfs/dbraw/zinc/31/27/00/750312700.db2.gz MAJQMFFURIQNEQ-SFHVURJKSA-N 2 1 313.445 1.918 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001034048678 750316786 /nfs/dbraw/zinc/31/67/86/750316786.db2.gz RZKKJRYGYJISPT-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048678 750316793 /nfs/dbraw/zinc/31/67/93/750316793.db2.gz RZKKJRYGYJISPT-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001034048678 750316802 /nfs/dbraw/zinc/31/68/02/750316802.db2.gz RZKKJRYGYJISPT-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001034048678 750316809 /nfs/dbraw/zinc/31/68/09/750316809.db2.gz RZKKJRYGYJISPT-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001034048678 750316816 /nfs/dbraw/zinc/31/68/16/750316816.db2.gz RZKKJRYGYJISPT-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+]1CCC(C)(C)C1 ZINC001039434399 762028702 /nfs/dbraw/zinc/02/87/02/762028702.db2.gz FILWKUMEQUCHIF-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001039434399 762028712 /nfs/dbraw/zinc/02/87/12/762028712.db2.gz FILWKUMEQUCHIF-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434399 762028719 /nfs/dbraw/zinc/02/87/19/762028719.db2.gz FILWKUMEQUCHIF-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001039434399 762028729 /nfs/dbraw/zinc/02/87/29/762028729.db2.gz FILWKUMEQUCHIF-CVEARBPZSA-N 2 1 303.450 1.417 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001045479211 750570273 /nfs/dbraw/zinc/57/02/73/750570273.db2.gz XCFHNGYLUYAVBU-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001045479211 750570275 /nfs/dbraw/zinc/57/02/75/750570275.db2.gz XCFHNGYLUYAVBU-HUUCEWRRSA-N 2 1 309.454 1.252 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC2(CCOCC2)C1 ZINC001099589453 750618675 /nfs/dbraw/zinc/61/86/75/750618675.db2.gz YVIDWECPIPSDGV-INIZCTEOSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC2(CCOCC2)C1 ZINC001099593220 750726243 /nfs/dbraw/zinc/72/62/43/750726243.db2.gz UCKKAWBCCAKNRM-HOTGVXAUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C[NH+]1CCCC1 ZINC001089907422 750819541 /nfs/dbraw/zinc/81/95/41/750819541.db2.gz MAMBLGRHZCLWFF-FJIDUMEYSA-N 2 1 317.477 1.827 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cncc1C)CC2 ZINC001035206603 751286327 /nfs/dbraw/zinc/28/63/27/751286327.db2.gz KWFIXHAFJCXXJN-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206603 751286331 /nfs/dbraw/zinc/28/63/31/751286331.db2.gz KWFIXHAFJCXXJN-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC001035206603 751286336 /nfs/dbraw/zinc/28/63/36/751286336.db2.gz KWFIXHAFJCXXJN-UHFFFAOYSA-N 2 1 314.433 1.529 20 30 DDEDMP C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000999165632 752592750 /nfs/dbraw/zinc/59/27/50/752592750.db2.gz UIZNWDFDTPMKDG-IRXDYDNUSA-N 2 1 317.477 1.855 20 30 DDEDMP C#CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001008276137 752647860 /nfs/dbraw/zinc/64/78/60/752647860.db2.gz KQIFFTUOGAMJCA-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008276137 752647863 /nfs/dbraw/zinc/64/78/63/752647863.db2.gz KQIFFTUOGAMJCA-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001008276137 752647867 /nfs/dbraw/zinc/64/78/67/752647867.db2.gz KQIFFTUOGAMJCA-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3ncc[nH]3)CC[C@@H]21 ZINC001036703071 753499063 /nfs/dbraw/zinc/49/90/63/753499063.db2.gz WKUAHUHZHACQKJ-CABCVRRESA-N 2 1 300.406 1.288 20 30 DDEDMP C=CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001000868784 762283343 /nfs/dbraw/zinc/28/33/43/762283343.db2.gz KHEIOVBXHDEPFT-HNNXBMFYSA-N 2 1 314.433 1.757 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)CC1 ZINC001000868784 762283351 /nfs/dbraw/zinc/28/33/51/762283351.db2.gz KHEIOVBXHDEPFT-HNNXBMFYSA-N 2 1 314.433 1.757 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949315 755649597 /nfs/dbraw/zinc/64/95/97/755649597.db2.gz YBVKVZJFGURGQO-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014731190 755911611 /nfs/dbraw/zinc/91/16/11/755911611.db2.gz ZXFAGSVWQQRPPN-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001014731190 755911613 /nfs/dbraw/zinc/91/16/13/755911613.db2.gz ZXFAGSVWQQRPPN-GJZGRUSLSA-N 2 1 302.422 1.917 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001080976971 756162235 /nfs/dbraw/zinc/16/22/35/756162235.db2.gz QIIGISTZMKJVFM-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001080976971 756162237 /nfs/dbraw/zinc/16/22/37/756162237.db2.gz QIIGISTZMKJVFM-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080976971 756162239 /nfs/dbraw/zinc/16/22/39/756162239.db2.gz QIIGISTZMKJVFM-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001080976971 756162242 /nfs/dbraw/zinc/16/22/42/756162242.db2.gz QIIGISTZMKJVFM-OAGGEKHMSA-N 2 1 309.454 1.110 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2C)CC1 ZINC001080997451 756180308 /nfs/dbraw/zinc/18/03/08/756180308.db2.gz DPFFDJWMWIFSEQ-RHSMWYFYSA-N 2 1 303.450 1.178 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001015971068 756687608 /nfs/dbraw/zinc/68/76/08/756687608.db2.gz YMTYSAKWGYYNLN-QGZVFWFLSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001016611861 757203120 /nfs/dbraw/zinc/20/31/20/757203120.db2.gz GTVGJMLSDZETJA-IRXDYDNUSA-N 2 1 317.477 1.853 20 30 DDEDMP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001016654316 757237276 /nfs/dbraw/zinc/23/72/76/757237276.db2.gz GPMDSRRBYDSLNA-IRXDYDNUSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097581041 757259947 /nfs/dbraw/zinc/25/99/47/757259947.db2.gz NADHRCLCRWBPOO-ZJPYXAASSA-N 2 1 315.461 1.606 20 30 DDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC001097581041 757259956 /nfs/dbraw/zinc/25/99/56/757259956.db2.gz NADHRCLCRWBPOO-ZJPYXAASSA-N 2 1 315.461 1.606 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@@H]2C1 ZINC001084545388 757654909 /nfs/dbraw/zinc/65/49/09/757654909.db2.gz HWVAIGGQDXTVHB-KZNAEPCWSA-N 2 1 317.477 1.970 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001017657404 758126363 /nfs/dbraw/zinc/12/63/63/758126363.db2.gz DACROYFDCWIBKO-FJIDUMEYSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001017657404 758126369 /nfs/dbraw/zinc/12/63/69/758126369.db2.gz DACROYFDCWIBKO-FJIDUMEYSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017657404 758126376 /nfs/dbraw/zinc/12/63/76/758126376.db2.gz DACROYFDCWIBKO-FJIDUMEYSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001017657404 758126383 /nfs/dbraw/zinc/12/63/83/758126383.db2.gz DACROYFDCWIBKO-FJIDUMEYSA-N 2 1 315.461 1.702 20 30 DDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)C[C@@H]21 ZINC001085014363 758149013 /nfs/dbraw/zinc/14/90/13/758149013.db2.gz YUEYJCMEWLIFSH-SQNIBIBYSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040912221 762731365 /nfs/dbraw/zinc/73/13/65/762731365.db2.gz MFEHEFZEMDJCGV-INIZCTEOSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001054129534 759203500 /nfs/dbraw/zinc/20/35/00/759203500.db2.gz SYBBXWDFNPYRJD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129534 759203508 /nfs/dbraw/zinc/20/35/08/759203508.db2.gz SYBBXWDFNPYRJD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001054129534 759203510 /nfs/dbraw/zinc/20/35/10/759203510.db2.gz SYBBXWDFNPYRJD-PKOBYXMFSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001054197711 759284349 /nfs/dbraw/zinc/28/43/49/759284349.db2.gz HBBSLAMWSCXPNF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197711 759284353 /nfs/dbraw/zinc/28/43/53/759284353.db2.gz HBBSLAMWSCXPNF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001054197711 759284358 /nfs/dbraw/zinc/28/43/58/759284358.db2.gz HBBSLAMWSCXPNF-AEFFLSMTSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046732941 767864148 /nfs/dbraw/zinc/86/41/48/767864148.db2.gz YJORUEMILUXBOM-GOSISDBHSA-N 2 1 323.400 1.485 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001046732941 767864156 /nfs/dbraw/zinc/86/41/56/767864156.db2.gz YJORUEMILUXBOM-GOSISDBHSA-N 2 1 323.400 1.485 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001019153184 759631071 /nfs/dbraw/zinc/63/10/71/759631071.db2.gz QOUSHMIKUQEMQD-KRWDZBQOSA-N 2 1 323.400 1.454 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788618 760243640 /nfs/dbraw/zinc/24/36/40/760243640.db2.gz ONPQNLQDFXNHOY-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001085788618 760243646 /nfs/dbraw/zinc/24/36/46/760243646.db2.gz ONPQNLQDFXNHOY-DOTOQJQBSA-N 2 1 316.449 1.863 20 30 DDEDMP C=CCCC[NH+]1CCO[C@](C)(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001108213985 760388005 /nfs/dbraw/zinc/38/80/05/760388005.db2.gz WCUMGMFCZCMSFM-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213985 760388012 /nfs/dbraw/zinc/38/80/12/760388012.db2.gz WCUMGMFCZCMSFM-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001108213985 760388022 /nfs/dbraw/zinc/38/80/22/760388022.db2.gz WCUMGMFCZCMSFM-FUHWJXTLSA-N 2 1 323.481 1.644 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCC3)C2)CC1 ZINC001046850275 767982782 /nfs/dbraw/zinc/98/27/82/767982782.db2.gz RBBQVFZIXLAUCL-IBGZPJMESA-N 2 1 317.477 1.712 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001038346077 761033570 /nfs/dbraw/zinc/03/35/70/761033570.db2.gz OHDJDAPBPPGRSP-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001038346077 761033580 /nfs/dbraw/zinc/03/35/80/761033580.db2.gz OHDJDAPBPPGRSP-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001038346077 761033591 /nfs/dbraw/zinc/03/35/91/761033591.db2.gz OHDJDAPBPPGRSP-IRXDYDNUSA-N 2 1 321.465 1.396 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038901826 761527198 /nfs/dbraw/zinc/52/71/98/761527198.db2.gz AKRLJSOXPISPNZ-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CCCC ZINC001038901826 761527199 /nfs/dbraw/zinc/52/71/99/761527199.db2.gz AKRLJSOXPISPNZ-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038901826 761527202 /nfs/dbraw/zinc/52/72/02/761527202.db2.gz AKRLJSOXPISPNZ-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CCCC ZINC001038901826 761527205 /nfs/dbraw/zinc/52/72/05/761527205.db2.gz AKRLJSOXPISPNZ-DLBZAZTESA-N 2 1 305.466 1.855 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001098446321 761760539 /nfs/dbraw/zinc/76/05/39/761760539.db2.gz RWZRWGFAZWTARE-UHFFFAOYSA-N 2 1 323.481 1.332 20 30 DDEDMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001001372346 762798907 /nfs/dbraw/zinc/79/89/07/762798907.db2.gz UNAQVFHGGBAJNO-IRXDYDNUSA-N 2 1 303.450 1.488 20 30 DDEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001001523613 762936580 /nfs/dbraw/zinc/93/65/80/762936580.db2.gz VKQIYSNDKLHIRP-QZTJIDSGSA-N 2 1 317.477 1.855 20 30 DDEDMP C=CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)C1 ZINC001041338623 762966483 /nfs/dbraw/zinc/96/64/83/762966483.db2.gz IYCYRLQPOOKORG-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041338623 762966487 /nfs/dbraw/zinc/96/64/87/762966487.db2.gz IYCYRLQPOOKORG-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001041338623 762966491 /nfs/dbraw/zinc/96/64/91/762966491.db2.gz IYCYRLQPOOKORG-AEFFLSMTSA-N 2 1 305.466 1.971 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001041446172 763036311 /nfs/dbraw/zinc/03/63/11/763036311.db2.gz QLMCCBCNKXUWGZ-LJQANCHMSA-N 2 1 322.412 1.896 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001131380179 768104006 /nfs/dbraw/zinc/10/40/06/768104006.db2.gz FLFMFTSNNXYHKJ-UHFFFAOYSA-N 2 1 303.391 1.031 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001041624551 763184222 /nfs/dbraw/zinc/18/42/22/763184222.db2.gz BCWMRMOHXOIAKV-GOSISDBHSA-N 2 1 305.466 1.829 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050201843 763313128 /nfs/dbraw/zinc/31/31/28/763313128.db2.gz FNQHJMNGIQMPBA-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050201843 763313138 /nfs/dbraw/zinc/31/31/38/763313138.db2.gz FNQHJMNGIQMPBA-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050202663 763316674 /nfs/dbraw/zinc/31/66/74/763316674.db2.gz SLORJPVFLMFIMA-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001050202663 763316684 /nfs/dbraw/zinc/31/66/84/763316684.db2.gz SLORJPVFLMFIMA-JKSUJKDBSA-N 2 1 302.422 1.690 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001169982124 763418139 /nfs/dbraw/zinc/41/81/39/763418139.db2.gz JLQABXVGIPVPEP-ZIAGYGMSSA-N 2 1 317.861 1.334 20 30 DDEDMP C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001169982124 763418145 /nfs/dbraw/zinc/41/81/45/763418145.db2.gz JLQABXVGIPVPEP-ZIAGYGMSSA-N 2 1 317.861 1.334 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC)[C@H]3C2)CC1 ZINC001042367840 763971339 /nfs/dbraw/zinc/97/13/39/763971339.db2.gz MCJBSGXVJJSXIL-WBVHZDCISA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@H+](CCO)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001098462333 764941420 /nfs/dbraw/zinc/94/14/20/764941420.db2.gz OMZVHPDPHKSLND-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001113007538 765130726 /nfs/dbraw/zinc/13/07/26/765130726.db2.gz UJJMTAZPOJDKBU-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001113007538 765130728 /nfs/dbraw/zinc/13/07/28/765130728.db2.gz UJJMTAZPOJDKBU-BZUAXINKSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001100320648 765720347 /nfs/dbraw/zinc/72/03/47/765720347.db2.gz LTHXEMXTZAQKQY-OFLPRAFFSA-N 2 1 323.481 1.546 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001052369319 765764956 /nfs/dbraw/zinc/76/49/56/765764956.db2.gz QKRSMWMODNDAPS-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001052369319 765764962 /nfs/dbraw/zinc/76/49/62/765764962.db2.gz QKRSMWMODNDAPS-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052369319 765764965 /nfs/dbraw/zinc/76/49/65/765764965.db2.gz QKRSMWMODNDAPS-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001047231479 768333918 /nfs/dbraw/zinc/33/39/18/768333918.db2.gz NHSJIUXPUBNBHB-MSOLQXFVSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052567292 765963238 /nfs/dbraw/zinc/96/32/38/765963238.db2.gz XDBOXZURGIXEFQ-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C=CC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001052567292 765963251 /nfs/dbraw/zinc/96/32/51/765963251.db2.gz XDBOXZURGIXEFQ-OAHLLOKOSA-N 2 1 316.449 1.919 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304709 766868410 /nfs/dbraw/zinc/86/84/10/766868410.db2.gz XKEMZVYIAQMYME-BSXFFOKHSA-N 2 1 314.433 1.466 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001114304709 766868420 /nfs/dbraw/zinc/86/84/20/766868420.db2.gz XKEMZVYIAQMYME-BSXFFOKHSA-N 2 1 314.433 1.466 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001130398851 767509927 /nfs/dbraw/zinc/50/99/27/767509927.db2.gz GWGHAZBWLVLFQM-UKRRQHHQSA-N 2 1 319.453 1.341 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001046500920 767632283 /nfs/dbraw/zinc/63/22/83/767632283.db2.gz FSOXJPJEUZUHPN-CQDXFGNVSA-N 2 1 319.449 1.006 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613601 767739514 /nfs/dbraw/zinc/73/95/14/767739514.db2.gz FBASVNWBRQIVDT-QAPCUYQASA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613601 767739520 /nfs/dbraw/zinc/73/95/20/767739520.db2.gz FBASVNWBRQIVDT-QAPCUYQASA-N 2 1 316.449 1.911 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)CC[C@@H]1C ZINC001132210887 768677775 /nfs/dbraw/zinc/67/77/75/768677775.db2.gz KRDRWJCWZYYTLZ-HOTGVXAUSA-N 2 1 305.466 1.853 20 30 DDEDMP C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071203496 769132107 /nfs/dbraw/zinc/13/21/07/769132107.db2.gz BRAGYUJLSIZVJD-QAPCUYQASA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133005069 769397367 /nfs/dbraw/zinc/39/73/67/769397367.db2.gz UPLLMIFEUCALAX-ZFWWWQNUSA-N 2 1 304.438 1.814 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[C@H]1C ZINC001133121400 769512116 /nfs/dbraw/zinc/51/21/16/769512116.db2.gz HTXASLGGASLRTE-SJORKVTESA-N 2 1 319.493 1.816 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC)CC1 ZINC001048590651 769567049 /nfs/dbraw/zinc/56/70/49/769567049.db2.gz UFIPPMDTMIGQIO-VBUUOAMHSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CC[C@H]1C ZINC001133262050 769641830 /nfs/dbraw/zinc/64/18/30/769641830.db2.gz FWGORDMATIQZNV-SJORKVTESA-N 2 1 307.482 1.816 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830645 769957693 /nfs/dbraw/zinc/95/76/93/769957693.db2.gz PYXIGHDYRBLVHY-VVLHAWIVSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830645 769957704 /nfs/dbraw/zinc/95/77/04/769957704.db2.gz PYXIGHDYRBLVHY-VVLHAWIVSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@H]2C1 ZINC001048830645 769957713 /nfs/dbraw/zinc/95/77/13/769957713.db2.gz PYXIGHDYRBLVHY-VVLHAWIVSA-N 2 1 303.450 1.130 20 30 DDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735509 769975388 /nfs/dbraw/zinc/97/53/88/769975388.db2.gz NITOVPYIGDICDY-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071735509 769975406 /nfs/dbraw/zinc/97/54/06/769975406.db2.gz NITOVPYIGDICDY-HZPDHXFCSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C[C@H]2C1 ZINC001049170988 770493958 /nfs/dbraw/zinc/49/39/58/770493958.db2.gz HFZFWYGTAKIPSA-NCOADZHNSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001049706093 771100661 /nfs/dbraw/zinc/10/06/61/771100661.db2.gz XZUMVANNBPMOLY-GVDBMIGSSA-N 2 1 305.466 1.661 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CC[NH+](CC1)C2 ZINC001049847405 771204582 /nfs/dbraw/zinc/20/45/82/771204582.db2.gz WPTRLIVQGMTNAO-CVEARBPZSA-N 2 1 301.434 1.171 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001049904768 771248567 /nfs/dbraw/zinc/24/85/67/771248567.db2.gz RIPDGQVJUXHQHT-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001049904768 771248571 /nfs/dbraw/zinc/24/85/71/771248571.db2.gz RIPDGQVJUXHQHT-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904768 771248575 /nfs/dbraw/zinc/24/85/75/771248575.db2.gz RIPDGQVJUXHQHT-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001049904768 771248578 /nfs/dbraw/zinc/24/85/78/771248578.db2.gz RIPDGQVJUXHQHT-BRWVUGGUSA-N 2 1 321.465 1.349 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\CCC ZINC001160197759 772083429 /nfs/dbraw/zinc/08/34/29/772083429.db2.gz FODVOZYGWSUGLJ-TUYSUELWSA-N 2 1 305.466 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC/C=C\CCC ZINC001160197759 772083433 /nfs/dbraw/zinc/08/34/33/772083433.db2.gz FODVOZYGWSUGLJ-TUYSUELWSA-N 2 1 305.466 1.926 20 30 DDEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001091199720 772609715 /nfs/dbraw/zinc/60/97/15/772609715.db2.gz ZCAFWYUBWSBLMX-HTWSVDAQSA-N 2 1 317.477 1.901 20 30 DDEDMP C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)C[NH+](CC)CC)C2)C1 ZINC001147647370 773190344 /nfs/dbraw/zinc/19/03/44/773190344.db2.gz SJHUECDHBGIIGU-HNNXBMFYSA-N 2 1 311.445 1.777 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091749268 773599310 /nfs/dbraw/zinc/59/93/10/773599310.db2.gz HEJPWZWRXUVQEW-AOIWGVFYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091749268 773599313 /nfs/dbraw/zinc/59/93/13/773599313.db2.gz HEJPWZWRXUVQEW-AOIWGVFYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(C)C)C[C@@]2(C)C1 ZINC001091749268 773599316 /nfs/dbraw/zinc/59/93/16/773599316.db2.gz HEJPWZWRXUVQEW-AOIWGVFYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(C)C)C[C@@]2(C)C1 ZINC001091749268 773599318 /nfs/dbraw/zinc/59/93/18/773599318.db2.gz HEJPWZWRXUVQEW-AOIWGVFYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092677092 774215584 /nfs/dbraw/zinc/21/55/84/774215584.db2.gz XOTZXPORMCSCSV-RBSFLKMASA-N 2 1 300.406 1.078 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001092677092 774215586 /nfs/dbraw/zinc/21/55/86/774215586.db2.gz XOTZXPORMCSCSV-RBSFLKMASA-N 2 1 300.406 1.078 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001092918284 774301635 /nfs/dbraw/zinc/30/16/35/774301635.db2.gz DOXDRIRRGYEAPJ-GDBMZVCRSA-N 2 1 317.433 1.662 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC001036772978 774566749 /nfs/dbraw/zinc/56/67/49/774566749.db2.gz FTOFWZFDNFHTNQ-YOEHRIQHSA-N 2 1 308.385 1.504 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036774107 774569638 /nfs/dbraw/zinc/56/96/38/774569638.db2.gz ZGEZQRRGUSRTME-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)CC[C@@H]21 ZINC001036774107 774569641 /nfs/dbraw/zinc/56/96/41/774569641.db2.gz ZGEZQRRGUSRTME-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001099106548 774836720 /nfs/dbraw/zinc/83/67/20/774836720.db2.gz IROKXZKMFGUKOH-HOTGVXAUSA-N 2 1 305.466 1.567 20 30 DDEDMP C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340606 774953178 /nfs/dbraw/zinc/95/31/78/774953178.db2.gz WHIWFEHSRVQRAC-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001099340606 774953183 /nfs/dbraw/zinc/95/31/83/774953183.db2.gz WHIWFEHSRVQRAC-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099527336 775018028 /nfs/dbraw/zinc/01/80/28/775018028.db2.gz DMXMQFHRAVIXRF-YVSFHVDLSA-N 2 1 303.450 1.130 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158864 775957007 /nfs/dbraw/zinc/95/70/07/775957007.db2.gz WUUBINVNAXRLJC-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C2 ZINC001110158864 775957016 /nfs/dbraw/zinc/95/70/16/775957016.db2.gz WUUBINVNAXRLJC-OWSLCNJRSA-N 2 1 317.477 1.852 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150195382 777212218 /nfs/dbraw/zinc/21/22/18/777212218.db2.gz ZDNHNAIABRJFDJ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CC[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102188710 777920695 /nfs/dbraw/zinc/92/06/95/777920695.db2.gz DWSHGCWYQKRCEW-HZPDHXFCSA-N 2 1 305.466 1.568 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)NCCC[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001176980612 778364940 /nfs/dbraw/zinc/36/49/40/778364940.db2.gz LROPEVPSOSPCOK-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177088426 778440964 /nfs/dbraw/zinc/44/09/64/778440964.db2.gz LHXITPIEVUHRPP-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCC[NH+](C)C)C[C@H]21 ZINC001177088426 778440968 /nfs/dbraw/zinc/44/09/68/778440968.db2.gz LHXITPIEVUHRPP-SJORKVTESA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001178535404 779082853 /nfs/dbraw/zinc/08/28/53/779082853.db2.gz IXQSRCVAHIXRNC-DLBZAZTESA-N 2 1 323.481 1.692 20 30 DDEDMP C=CC[NH2+]CCCCCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001178693055 779144564 /nfs/dbraw/zinc/14/45/64/779144564.db2.gz IYNHSGPQJJFPOV-MRXNPFEDSA-N 2 1 321.469 1.266 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001179807009 779493468 /nfs/dbraw/zinc/49/34/68/779493468.db2.gz NPOBORPODMQFPT-YOEHRIQHSA-N 2 1 323.400 1.483 20 30 DDEDMP C=CC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116901470 780573935 /nfs/dbraw/zinc/57/39/35/780573935.db2.gz IGKXARGRQISTJO-HNNXBMFYSA-N 2 1 307.413 1.604 20 30 DDEDMP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266868360 836970956 /nfs/dbraw/zinc/97/09/56/836970956.db2.gz VQQLJMPBOPGHIT-BRWVUGGUSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267570982 838330277 /nfs/dbraw/zinc/33/02/77/838330277.db2.gz HLBWDVWNWGHOOE-ZWKOTPCHSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C)C1CCCCC1 ZINC001268118192 839710813 /nfs/dbraw/zinc/71/08/13/839710813.db2.gz IMFSSYXDZGMWME-MSOLQXFVSA-N 2 1 317.477 1.925 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C)C1CCCCC1 ZINC001268118192 839710821 /nfs/dbraw/zinc/71/08/21/839710821.db2.gz IMFSSYXDZGMWME-MSOLQXFVSA-N 2 1 317.477 1.925 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1 ZINC001268969942 841067058 /nfs/dbraw/zinc/06/70/58/841067058.db2.gz QNUFWXWFYJYVLG-IRXDYDNUSA-N 2 1 305.466 1.970 20 30 DDEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001326222947 861207084 /nfs/dbraw/zinc/20/70/84/861207084.db2.gz MWKRAKCSNOOGJW-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001326222947 861207097 /nfs/dbraw/zinc/20/70/97/861207097.db2.gz MWKRAKCSNOOGJW-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001269799226 842056878 /nfs/dbraw/zinc/05/68/78/842056878.db2.gz SUTXFPAROXIKJY-DLBZAZTESA-N 2 1 305.466 1.712 20 30 DDEDMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001270159233 842344170 /nfs/dbraw/zinc/34/41/70/842344170.db2.gz PHGJBZMBPXPKQK-QGZVFWFLSA-N 2 1 323.400 1.485 20 30 DDEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)C[N@H+](C)CCC)C2)CC1 ZINC001270273714 842445060 /nfs/dbraw/zinc/44/50/60/842445060.db2.gz IWNACTOSEKZXFQ-MRXNPFEDSA-N 2 1 323.481 1.502 20 30 DDEDMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001270358355 842512136 /nfs/dbraw/zinc/51/21/36/842512136.db2.gz GYOBGOWGHDDUGK-INIZCTEOSA-N 2 1 323.481 1.289 20 30 DDEDMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001270718489 842843640 /nfs/dbraw/zinc/84/36/40/842843640.db2.gz OSVFSNWQSJTIBX-SJLPKXTDSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001271682644 843780109 /nfs/dbraw/zinc/78/01/09/843780109.db2.gz GHEFULPJELUHFN-ZBFHGGJFSA-N 2 1 302.422 1.289 20 30 DDEDMP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001272435015 846135595 /nfs/dbraw/zinc/13/55/95/846135595.db2.gz NEIAOCMVYLVTOS-HZPDHXFCSA-N 2 1 309.454 1.036 20 30 DDEDMP C#CCN1CC[C@@]2(CCC[N@H+](CC3CC[NH+](C)CC3)CC2)C1=O ZINC001272888061 847591774 /nfs/dbraw/zinc/59/17/74/847591774.db2.gz NPYXEOJNTOUJDY-IBGZPJMESA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001273018542 847790557 /nfs/dbraw/zinc/79/05/57/847790557.db2.gz MBLFHCMKGVRTIK-DZGCQCFKSA-N 2 1 302.422 1.262 20 30 DDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319668 848324696 /nfs/dbraw/zinc/32/46/96/848324696.db2.gz KAVGODQCXSBHOZ-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001034319668 848324701 /nfs/dbraw/zinc/32/47/01/848324701.db2.gz KAVGODQCXSBHOZ-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001034319668 848324706 /nfs/dbraw/zinc/32/47/06/848324706.db2.gz KAVGODQCXSBHOZ-LPMVOBIJSA-N 2 1 319.449 1.006 20 30 DDEDMP N#Cc1cc(Cl)nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)c1 ZINC001155363894 861996671 /nfs/dbraw/zinc/99/66/71/861996671.db2.gz RRJYNIBTQNXGIP-CYBMUJFWSA-N 2 1 305.813 1.466 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001150218307 862145011 /nfs/dbraw/zinc/14/50/11/862145011.db2.gz HMDYLIYTIRCBNF-QGZVFWFLSA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCCC[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273495393 851028121 /nfs/dbraw/zinc/02/81/21/851028121.db2.gz VSVCPNHQDCMKTP-SFHVURJKSA-N 2 1 323.481 1.455 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001274096904 851926040 /nfs/dbraw/zinc/92/60/40/851926040.db2.gz LCQAKVLHSXWREL-MJRGOJFPSA-N 2 1 317.477 1.926 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001274096904 851926051 /nfs/dbraw/zinc/92/60/51/851926051.db2.gz LCQAKVLHSXWREL-MJRGOJFPSA-N 2 1 317.477 1.926 20 30 DDEDMP C=CCCC[NH+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001150588965 862336907 /nfs/dbraw/zinc/33/69/07/862336907.db2.gz RKSRRJJOAFJKCK-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588965 862336927 /nfs/dbraw/zinc/33/69/27/862336927.db2.gz RKSRRJJOAFJKCK-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001150588965 862336947 /nfs/dbraw/zinc/33/69/47/862336947.db2.gz RKSRRJJOAFJKCK-SJORKVTESA-N 2 1 323.481 1.502 20 30 DDEDMP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC001151019414 862580206 /nfs/dbraw/zinc/58/02/06/862580206.db2.gz YUCDRYOXTPMBHG-CVEARBPZSA-N 2 1 305.397 1.805 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4cncn4C3)C2)C1 ZINC001072870345 857823815 /nfs/dbraw/zinc/82/38/15/857823815.db2.gz FUURMUQALHPZSZ-OAHLLOKOSA-N 2 1 312.417 1.003 20 30 DDEDMP C#CCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC001072870467 857824820 /nfs/dbraw/zinc/82/48/20/857824820.db2.gz JYZBCFLNLPFSQT-OAHLLOKOSA-N 2 1 312.417 1.003 20 30 DDEDMP C=CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)C2)C1 ZINC001073050419 858048256 /nfs/dbraw/zinc/04/82/56/858048256.db2.gz YXPPFZNJYCOSDM-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)C1 ZINC001073050419 858048261 /nfs/dbraw/zinc/04/82/61/858048261.db2.gz YXPPFZNJYCOSDM-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]4CCC[N@H+]43)C2)C1 ZINC001073050419 858048269 /nfs/dbraw/zinc/04/82/69/858048269.db2.gz YXPPFZNJYCOSDM-JKSUJKDBSA-N 2 1 303.450 1.724 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](C(C)C)C3)CC1 ZINC001073457528 858353942 /nfs/dbraw/zinc/35/39/42/858353942.db2.gz UHKCGDKFNIFPHM-UHFFFAOYSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)CC[NH+]1CCC[C@@](CO)(NC(=O)CC[N@H+](C)CC)C1 ZINC001325864040 860900124 /nfs/dbraw/zinc/90/01/24/860900124.db2.gz CBMOPAGDQTWNNU-QGZVFWFLSA-N 2 1 311.470 1.238 20 30 DDEDMP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001325864040 860900133 /nfs/dbraw/zinc/90/01/33/860900133.db2.gz CBMOPAGDQTWNNU-QGZVFWFLSA-N 2 1 311.470 1.238 20 30 DDEDMP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)CC)C1 ZINC001325864040 860900136 /nfs/dbraw/zinc/90/01/36/860900136.db2.gz CBMOPAGDQTWNNU-QGZVFWFLSA-N 2 1 311.470 1.238 20 30 DDEDMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001329151461 863504363 /nfs/dbraw/zinc/50/43/63/863504363.db2.gz OLNWMKLLAQGMGJ-UONOGXRCSA-N 2 1 311.389 1.387 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCCC)C1 ZINC001330020926 864024951 /nfs/dbraw/zinc/02/49/51/864024951.db2.gz JQPFUJJDRCARFM-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCCC)C1 ZINC001330020926 864024967 /nfs/dbraw/zinc/02/49/67/864024967.db2.gz JQPFUJJDRCARFM-RDJZCZTQSA-N 2 1 305.466 1.711 20 30 DDEDMP COCC#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001330244956 864186027 /nfs/dbraw/zinc/18/60/27/864186027.db2.gz PKYQBYDQGWYRRE-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP COCC#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001330244956 864186036 /nfs/dbraw/zinc/18/60/36/864186036.db2.gz PKYQBYDQGWYRRE-INIZCTEOSA-N 2 1 323.481 1.195 20 30 DDEDMP C=CCOCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001158449817 864665111 /nfs/dbraw/zinc/66/51/11/864665111.db2.gz GURXMACPFZANTN-MRXNPFEDSA-N 2 1 311.470 1.454 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001330935846 864717772 /nfs/dbraw/zinc/71/77/72/864717772.db2.gz SIVIQGFNSZAZLW-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001330935846 864717778 /nfs/dbraw/zinc/71/77/78/864717778.db2.gz SIVIQGFNSZAZLW-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001330935846 864717788 /nfs/dbraw/zinc/71/77/88/864717788.db2.gz SIVIQGFNSZAZLW-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001330935846 864717796 /nfs/dbraw/zinc/71/77/96/864717796.db2.gz SIVIQGFNSZAZLW-IRXDYDNUSA-N 2 1 320.481 1.504 20 30 DDEDMP C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001158751515 864880096 /nfs/dbraw/zinc/88/00/96/864880096.db2.gz VQUXNLJSHYPOCH-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001158751515 864880101 /nfs/dbraw/zinc/88/01/01/864880101.db2.gz VQUXNLJSHYPOCH-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[NH+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001158751515 864880105 /nfs/dbraw/zinc/88/01/05/864880105.db2.gz VQUXNLJSHYPOCH-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001332000201 865492783 /nfs/dbraw/zinc/49/27/83/865492783.db2.gz YMXBZIMNTSGJKZ-CABCVRRESA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@H+](CC=C)CC1 ZINC001160386156 865809866 /nfs/dbraw/zinc/80/98/66/865809866.db2.gz KAJZINADJCGCMO-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC1=CC[N@@H+](CC=C)CC1 ZINC001160386156 865809875 /nfs/dbraw/zinc/80/98/75/865809875.db2.gz KAJZINADJCGCMO-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC=C)CC1 ZINC001160386156 865809890 /nfs/dbraw/zinc/80/98/90/865809890.db2.gz KAJZINADJCGCMO-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1=CC[NH+](CC=C)CC1 ZINC001160386156 865809899 /nfs/dbraw/zinc/80/98/99/865809899.db2.gz KAJZINADJCGCMO-KRWDZBQOSA-N 2 1 301.434 1.408 20 30 DDEDMP C#CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C1CC1 ZINC001323095449 866333543 /nfs/dbraw/zinc/33/35/43/866333543.db2.gz XRRPYUWIPMIAMZ-ZWKOTPCHSA-N 2 1 313.445 1.797 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161106591 866372662 /nfs/dbraw/zinc/37/26/62/866372662.db2.gz CJDVWVZXGSXQKK-UHFFFAOYSA-N 2 1 309.454 1.279 20 30 DDEDMP C=CCOCC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001161240346 866461954 /nfs/dbraw/zinc/46/19/54/866461954.db2.gz UCOCTIOQJXGVJL-KRWDZBQOSA-N 2 1 323.481 1.668 20 30 DDEDMP C#CCC[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001164513608 869249741 /nfs/dbraw/zinc/24/97/41/869249741.db2.gz GOJPMYAZUHYINX-INIZCTEOSA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[NH2+]CC1(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001165727886 869692172 /nfs/dbraw/zinc/69/21/72/869692172.db2.gz JXFKAFLISKFNJZ-CVEARBPZSA-N 2 1 303.450 1.513 20 30 DDEDMP C#CC[NH2+][C@@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C1CC1 ZINC001317029642 870136763 /nfs/dbraw/zinc/13/67/63/870136763.db2.gz JDTHDDJSQRNCMR-ZWKOTPCHSA-N 2 1 313.445 1.797 20 30 DDEDMP CC#CC[NH2+]CCCNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001166750569 870221536 /nfs/dbraw/zinc/22/15/36/870221536.db2.gz HBIXXPPHVAQKKV-UHFFFAOYSA-N 2 1 301.434 1.280 20 30 DDEDMP C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317384139 870749883 /nfs/dbraw/zinc/74/98/83/870749883.db2.gz LAWJKZXITDXWOR-MRXNPFEDSA-N 2 1 311.470 1.452 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317384139 870749887 /nfs/dbraw/zinc/74/98/87/870749887.db2.gz LAWJKZXITDXWOR-MRXNPFEDSA-N 2 1 311.470 1.452 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCC1 ZINC001317397098 870764923 /nfs/dbraw/zinc/76/49/23/870764923.db2.gz SQFODFGGWZHJBL-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCC1 ZINC001317397098 870764934 /nfs/dbraw/zinc/76/49/34/870764934.db2.gz SQFODFGGWZHJBL-WBVHZDCISA-N 2 1 305.466 1.759 20 30 DDEDMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001317410822 870780246 /nfs/dbraw/zinc/78/02/46/870780246.db2.gz MRZJQBIKIVBHGQ-AWEZNQCLSA-N 2 1 313.405 1.941 20 30 DDEDMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001317679135 871393075 /nfs/dbraw/zinc/39/30/75/871393075.db2.gz WRKHBAQQIVWVHJ-JZXOWHBKSA-N 2 1 319.493 1.957 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC001205703862 871722850 /nfs/dbraw/zinc/72/28/50/871722850.db2.gz PINJEUHXFDFXOP-UHFFFAOYSA-N 2 1 316.449 1.776 20 30 DDEDMP C#CC[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC001341717704 871790517 /nfs/dbraw/zinc/79/05/17/871790517.db2.gz VGQOLAUZQXHLBC-CJNGLKHVSA-N 2 1 305.447 1.470 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001317099503 871927959 /nfs/dbraw/zinc/92/79/59/871927959.db2.gz GFSVEUKQEOFKJD-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317099503 871927970 /nfs/dbraw/zinc/92/79/70/871927970.db2.gz GFSVEUKQEOFKJD-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317099503 871927982 /nfs/dbraw/zinc/92/79/82/871927982.db2.gz GFSVEUKQEOFKJD-IRXDYDNUSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001318341802 871944355 /nfs/dbraw/zinc/94/43/55/871944355.db2.gz ISEDFKKQWXKOCN-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001318341802 871944369 /nfs/dbraw/zinc/94/43/69/871944369.db2.gz ISEDFKKQWXKOCN-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001318341802 871944381 /nfs/dbraw/zinc/94/43/81/871944381.db2.gz ISEDFKKQWXKOCN-SJORKVTESA-N 2 1 323.481 1.500 20 30 DDEDMP C=CC[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001206068589 872030830 /nfs/dbraw/zinc/03/08/30/872030830.db2.gz VHSNGPGFCVNHRU-MRXNPFEDSA-N 2 1 316.449 1.768 20 30 DDEDMP C=CCOCC[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001206275514 872177752 /nfs/dbraw/zinc/17/77/52/872177752.db2.gz UYERHHPKYAGVCB-MRXNPFEDSA-N 2 1 323.481 1.359 20 30 DDEDMP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319572682 872696977 /nfs/dbraw/zinc/69/69/77/872696977.db2.gz CHVZJPGMMKYVRF-WMZOPIPTSA-N 2 1 313.445 1.426 20 30 DDEDMP N#Cc1cccnc1NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001207868671 873626597 /nfs/dbraw/zinc/62/65/97/873626597.db2.gz FVZMUTCPCSLJGT-INIZCTEOSA-N 2 1 315.421 1.208 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001208356551 874050577 /nfs/dbraw/zinc/05/05/77/874050577.db2.gz UMXMGVVANIHACS-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001208356551 874050594 /nfs/dbraw/zinc/05/05/94/874050594.db2.gz UMXMGVVANIHACS-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C=CCOCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423728 874131134 /nfs/dbraw/zinc/13/11/34/874131134.db2.gz OARPOXHOJZCJDT-HOTGVXAUSA-N 2 1 309.454 1.254 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001276679096 875238659 /nfs/dbraw/zinc/23/86/59/875238659.db2.gz TYLIUFWHFBLJHW-LUKYLMHMSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001276679096 875238668 /nfs/dbraw/zinc/23/86/68/875238668.db2.gz TYLIUFWHFBLJHW-LUKYLMHMSA-N 2 1 305.466 1.731 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001276679096 875238679 /nfs/dbraw/zinc/23/86/79/875238679.db2.gz TYLIUFWHFBLJHW-LUKYLMHMSA-N 2 1 305.466 1.731 20 30 DDEDMP N#Cc1nn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c2ccc(N)cc12 ZINC001210270099 875302127 /nfs/dbraw/zinc/30/21/27/875302127.db2.gz AJYSPRLOEBFAER-UHFFFAOYSA-N 2 1 319.372 1.284 20 30 DDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@H](OC)C1 ZINC001213767283 876051071 /nfs/dbraw/zinc/05/10/71/876051071.db2.gz LKBCAVWQMDUAKP-ARFHVFGLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767283 876051089 /nfs/dbraw/zinc/05/10/89/876051089.db2.gz LKBCAVWQMDUAKP-ARFHVFGLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@H](OC)C1 ZINC001213767283 876051106 /nfs/dbraw/zinc/05/11/06/876051106.db2.gz LKBCAVWQMDUAKP-ARFHVFGLSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931110 876107042 /nfs/dbraw/zinc/10/70/42/876107042.db2.gz DGHYIDJTEHPXRK-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213931110 876107050 /nfs/dbraw/zinc/10/70/50/876107050.db2.gz DGHYIDJTEHPXRK-BZUAXINKSA-N 2 1 309.454 1.108 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC001353110366 877127382 /nfs/dbraw/zinc/12/73/82/877127382.db2.gz QQCUENONXFEYKP-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](CCC)CC2)C1 ZINC001353110366 877127393 /nfs/dbraw/zinc/12/73/93/877127393.db2.gz QQCUENONXFEYKP-KRWDZBQOSA-N 2 1 320.481 1.505 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001221588108 879961652 /nfs/dbraw/zinc/96/16/52/879961652.db2.gz UHPOPSZWFKRRKQ-OWCLPIDISA-N 2 1 309.429 1.222 20 30 DDEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813311 880102398 /nfs/dbraw/zinc/10/23/98/880102398.db2.gz FJEUHFOSZGCMRI-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813311 880102408 /nfs/dbraw/zinc/10/24/08/880102408.db2.gz FJEUHFOSZGCMRI-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813311 880102412 /nfs/dbraw/zinc/10/24/12/880102412.db2.gz FJEUHFOSZGCMRI-GVDBMIGSSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001222682509 880649160 /nfs/dbraw/zinc/64/91/60/880649160.db2.gz VPNXYTRNPCUHSD-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682509 880649168 /nfs/dbraw/zinc/64/91/68/880649168.db2.gz VPNXYTRNPCUHSD-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001276841034 880712163 /nfs/dbraw/zinc/71/21/63/880712163.db2.gz UJSSNNHSPCMSOY-RCCFBDPRSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001276841034 880712179 /nfs/dbraw/zinc/71/21/79/880712179.db2.gz UJSSNNHSPCMSOY-RCCFBDPRSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001276841034 880712192 /nfs/dbraw/zinc/71/21/92/880712192.db2.gz UJSSNNHSPCMSOY-RCCFBDPRSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229108599 883825003 /nfs/dbraw/zinc/82/50/03/883825003.db2.gz BTGOGOCOVGRBAA-HZPDHXFCSA-N 2 1 302.422 1.622 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001230215166 884378201 /nfs/dbraw/zinc/37/82/01/884378201.db2.gz IAXWKKZTCFHBCI-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001230215166 884378221 /nfs/dbraw/zinc/37/82/21/884378221.db2.gz IAXWKKZTCFHBCI-OAGGEKHMSA-N 2 1 309.454 1.300 20 30 DDEDMP C#Cc1cccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)c1 ZINC001231659867 885787376 /nfs/dbraw/zinc/78/73/76/885787376.db2.gz VECFHBOEHLQVRO-UHFFFAOYSA-N 2 1 302.418 1.985 20 30 DDEDMP C#Cc1cccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)c1 ZINC001231659867 885787392 /nfs/dbraw/zinc/78/73/92/885787392.db2.gz VECFHBOEHLQVRO-UHFFFAOYSA-N 2 1 302.418 1.985 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001235516469 888702544 /nfs/dbraw/zinc/70/25/44/888702544.db2.gz WTOQGUXAWYVRNQ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001235516469 888702555 /nfs/dbraw/zinc/70/25/55/888702555.db2.gz WTOQGUXAWYVRNQ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]1CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001235516469 888702564 /nfs/dbraw/zinc/70/25/64/888702564.db2.gz WTOQGUXAWYVRNQ-IRXDYDNUSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C[C@](C)(O)c1ccccc1 ZINC001245998279 892316075 /nfs/dbraw/zinc/31/60/75/892316075.db2.gz FVZQCGCWSJQOOI-WMZOPIPTSA-N 2 1 320.433 1.711 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001278425581 892325096 /nfs/dbraw/zinc/32/50/96/892325096.db2.gz BFFMJQNUPXGVQG-FUHWJXTLSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001278425581 892325114 /nfs/dbraw/zinc/32/51/14/892325114.db2.gz BFFMJQNUPXGVQG-FUHWJXTLSA-N 2 1 305.466 1.855 20 30 DDEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001278425543 892327429 /nfs/dbraw/zinc/32/74/29/892327429.db2.gz AWPRZBIOJQLRSE-SJORKVTESA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[NH+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001278425543 892327446 /nfs/dbraw/zinc/32/74/46/892327446.db2.gz AWPRZBIOJQLRSE-SJORKVTESA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278425543 892327462 /nfs/dbraw/zinc/32/74/62/892327462.db2.gz AWPRZBIOJQLRSE-SJORKVTESA-N 2 1 309.429 1.413 20 30 DDEDMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001278425543 892327468 /nfs/dbraw/zinc/32/74/68/892327468.db2.gz AWPRZBIOJQLRSE-SJORKVTESA-N 2 1 309.429 1.413 20 30 DDEDMP C=C[C@](C)(O)C[NH+]1CC[C@]2(C1)C[N@@H+](C)C[C@@H]2COCC1CC1 ZINC001252553314 895274978 /nfs/dbraw/zinc/27/49/78/895274978.db2.gz WEWHWICNCAXTEJ-FGTMMUONSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@](C)(O)C[N@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001252553314 895274984 /nfs/dbraw/zinc/27/49/84/895274984.db2.gz WEWHWICNCAXTEJ-FGTMMUONSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001252553314 895274996 /nfs/dbraw/zinc/27/49/96/895274996.db2.gz WEWHWICNCAXTEJ-FGTMMUONSA-N 2 1 308.466 1.604 20 30 DDEDMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC001278718044 895820186 /nfs/dbraw/zinc/82/01/86/895820186.db2.gz CHVVBNQFGWNRFD-OAHLLOKOSA-N 2 1 309.454 1.302 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001253576355 895904125 /nfs/dbraw/zinc/90/41/25/895904125.db2.gz CMBNCQYUKUNVGF-XDNAFOTISA-N 2 1 318.465 1.603 20 30 DDEDMP C=C[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001253576355 895904136 /nfs/dbraw/zinc/90/41/36/895904136.db2.gz CMBNCQYUKUNVGF-XDNAFOTISA-N 2 1 318.465 1.603 20 30 DDEDMP C=C[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001253576355 895904143 /nfs/dbraw/zinc/90/41/43/895904143.db2.gz CMBNCQYUKUNVGF-XDNAFOTISA-N 2 1 318.465 1.603 20 30 DDEDMP C=C[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001253576355 895904153 /nfs/dbraw/zinc/90/41/53/895904153.db2.gz CMBNCQYUKUNVGF-XDNAFOTISA-N 2 1 318.465 1.603 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001278800657 896544918 /nfs/dbraw/zinc/54/49/18/896544918.db2.gz PDHPQASLPRYHMW-FUHWJXTLSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001278800657 896544926 /nfs/dbraw/zinc/54/49/26/896544926.db2.gz PDHPQASLPRYHMW-FUHWJXTLSA-N 2 1 323.481 1.238 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001278800657 896544943 /nfs/dbraw/zinc/54/49/43/896544943.db2.gz PDHPQASLPRYHMW-FUHWJXTLSA-N 2 1 323.481 1.238 20 30 DDEDMP C=CCC[NH2+]C[C@@H](NC(=O)CC[NH+]1CCOCC1)C(C)(C)C ZINC001279015012 897843513 /nfs/dbraw/zinc/84/35/13/897843513.db2.gz GVWPZVNQBFMPHJ-OAHLLOKOSA-N 2 1 311.470 1.405 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001390565644 899681968 /nfs/dbraw/zinc/68/19/68/899681968.db2.gz OLPBRPUSSDQDSJ-ZDUSSCGKSA-N 2 1 320.462 1.652 20 30 DDEDMP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001263103791 900500442 /nfs/dbraw/zinc/50/04/42/900500442.db2.gz MDHGZXIWLNIAJT-HZPDHXFCSA-N 2 1 312.502 1.426 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001264586376 901197204 /nfs/dbraw/zinc/19/72/04/901197204.db2.gz OUOYRAHOFFSKHS-PVAVHDDUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001264723725 901311120 /nfs/dbraw/zinc/31/11/20/901311120.db2.gz SNNVXAGOBNVCMO-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H]1C ZINC001264723725 901311129 /nfs/dbraw/zinc/31/11/29/901311129.db2.gz SNNVXAGOBNVCMO-SJORKVTESA-N 2 1 323.481 1.644 20 30 DDEDMP CC#CC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001265193750 901686374 /nfs/dbraw/zinc/68/63/74/901686374.db2.gz STZVFFVWSCGFLU-INIZCTEOSA-N 2 1 305.466 1.807 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001265233699 901756565 /nfs/dbraw/zinc/75/65/65/901756565.db2.gz ZGDRPOQVGWWXTI-JKSUJKDBSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265391100 901959307 /nfs/dbraw/zinc/95/93/07/901959307.db2.gz UAVVIAUBJYPEJJ-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265391100 901959321 /nfs/dbraw/zinc/95/93/21/901959321.db2.gz UAVVIAUBJYPEJJ-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001265391100 901959339 /nfs/dbraw/zinc/95/93/39/901959339.db2.gz UAVVIAUBJYPEJJ-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cccc(C#N)c1 ZINC001391661770 902278931 /nfs/dbraw/zinc/27/89/31/902278931.db2.gz KBXNMWNNPKGDJN-DLBZAZTESA-N 2 1 314.433 1.637 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265707833 902326423 /nfs/dbraw/zinc/32/64/23/902326423.db2.gz GJVDPZJXEWGWLD-IAGOWNOFSA-N 2 1 305.466 1.712 20 30 DDEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001370019838 902402381 /nfs/dbraw/zinc/40/23/81/902402381.db2.gz RCTVSPIBQJUGEE-WFASDCNBSA-N 2 1 320.462 1.650 20 30 DDEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1)[NH+](C)C ZINC001370019838 902402386 /nfs/dbraw/zinc/40/23/86/902402386.db2.gz RCTVSPIBQJUGEE-WFASDCNBSA-N 2 1 320.462 1.650 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001266103856 902950716 /nfs/dbraw/zinc/95/07/16/902950716.db2.gz ZBYDMAZBVLNQKK-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1 ZINC001266153172 903033560 /nfs/dbraw/zinc/03/35/60/903033560.db2.gz ZMDOYUFPWWJUOH-HIFRSBDPSA-N 2 1 320.462 1.225 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccns1 ZINC001266153172 903033574 /nfs/dbraw/zinc/03/35/74/903033574.db2.gz ZMDOYUFPWWJUOH-HIFRSBDPSA-N 2 1 320.462 1.225 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001281844940 905259930 /nfs/dbraw/zinc/25/99/30/905259930.db2.gz HFYBUXPQBTTZQO-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001281844940 905259946 /nfs/dbraw/zinc/25/99/46/905259946.db2.gz HFYBUXPQBTTZQO-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001281844940 905259964 /nfs/dbraw/zinc/25/99/64/905259964.db2.gz HFYBUXPQBTTZQO-QGZVFWFLSA-N 2 1 305.466 1.522 20 30 DDEDMP C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001394008042 908520746 /nfs/dbraw/zinc/52/07/46/908520746.db2.gz ZJWCHHBXXJJFTC-VXGBXAGGSA-N 2 1 320.275 1.720 20 30 DDEDMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001373681841 910602098 /nfs/dbraw/zinc/60/20/98/910602098.db2.gz VKSVNHWAUJFYMT-CYBMUJFWSA-N 2 1 320.462 1.604 20 30 DDEDMP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001373681841 910602110 /nfs/dbraw/zinc/60/21/10/910602110.db2.gz VKSVNHWAUJFYMT-CYBMUJFWSA-N 2 1 320.462 1.604 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(C#N)c2)C1 ZINC001376165531 917857881 /nfs/dbraw/zinc/85/78/81/917857881.db2.gz WVLJJHMDHCPMRQ-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001376165531 917857891 /nfs/dbraw/zinc/85/78/91/917857891.db2.gz WVLJJHMDHCPMRQ-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001376165531 917857908 /nfs/dbraw/zinc/85/79/08/917857908.db2.gz WVLJJHMDHCPMRQ-KRWDZBQOSA-N 2 1 314.433 1.591 20 30 DDEDMP OCCC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](CCCO)C2)C1 ZINC000452126983 231313357 /nfs/dbraw/zinc/31/33/57/231313357.db2.gz VIFIFGQOZMUOKL-QZTJIDSGSA-N 2 1 308.466 1.179 20 30 DDEDMP C#CCOc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000272684158 210087656 /nfs/dbraw/zinc/08/76/56/210087656.db2.gz SKLJBVQCHYDKME-UHFFFAOYSA-N 2 1 315.461 1.768 20 30 DDEDMP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)NC1CCCCCC1 ZINC000092278762 353849713 /nfs/dbraw/zinc/84/97/13/353849713.db2.gz YADAQBWRSYEYMS-HZPDHXFCSA-N 2 1 308.470 1.867 20 30 DDEDMP [NH2+]=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)NC1CCCCCC1 ZINC000092278762 353849717 /nfs/dbraw/zinc/84/97/17/353849717.db2.gz YADAQBWRSYEYMS-HZPDHXFCSA-N 2 1 308.470 1.867 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001120422329 781931882 /nfs/dbraw/zinc/93/18/82/781931882.db2.gz LQSIFNBEJLLHKE-IAGOWNOFSA-N 2 1 305.466 1.664 20 30 DDEDMP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@@H+]1CCOC ZINC000594453223 356223600 /nfs/dbraw/zinc/22/36/00/356223600.db2.gz NMAANUMRUBCTOC-HOTGVXAUSA-N 2 1 324.469 1.357 20 30 DDEDMP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1CCOC ZINC000594453223 356223602 /nfs/dbraw/zinc/22/36/02/356223602.db2.gz NMAANUMRUBCTOC-HOTGVXAUSA-N 2 1 324.469 1.357 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000594989580 356369474 /nfs/dbraw/zinc/36/94/74/356369474.db2.gz OFTZXDUVGBYHKF-MRXNPFEDSA-N 2 1 306.454 1.420 20 30 DDEDMP C=CCCn1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nn1 ZINC000629591934 422753067 /nfs/dbraw/zinc/75/30/67/422753067.db2.gz UZGUQARIMNJYMZ-KRWDZBQOSA-N 2 1 319.453 1.445 20 30 DDEDMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccccc1C#N ZINC000599397991 357921757 /nfs/dbraw/zinc/92/17/57/357921757.db2.gz WRSNWORIGBRUSB-KRWDZBQOSA-N 2 1 317.433 1.716 20 30 DDEDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccccc1C#N ZINC000599397991 357921763 /nfs/dbraw/zinc/92/17/63/357921763.db2.gz WRSNWORIGBRUSB-KRWDZBQOSA-N 2 1 317.433 1.716 20 30 DDEDMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000602966611 359329926 /nfs/dbraw/zinc/32/99/26/359329926.db2.gz LNNWIZLDPXKYKL-MRXNPFEDSA-N 2 1 323.481 1.864 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609133501 360263825 /nfs/dbraw/zinc/26/38/25/360263825.db2.gz NYVSYQAOCFJKPE-UHFFFAOYSA-N 2 1 310.442 1.050 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000105474932 194105350 /nfs/dbraw/zinc/10/53/50/194105350.db2.gz MEPRDLOGUVEQKU-INIZCTEOSA-N 2 1 300.406 1.235 20 30 DDEDMP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000105474932 194105354 /nfs/dbraw/zinc/10/53/54/194105354.db2.gz MEPRDLOGUVEQKU-INIZCTEOSA-N 2 1 300.406 1.235 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(C)cc(OC)c1 ZINC000130644193 407703134 /nfs/dbraw/zinc/70/31/34/407703134.db2.gz YSVIMGQQQBWREX-HNNXBMFYSA-N 2 1 304.438 1.892 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ncc(C)s1 ZINC000273461882 408211998 /nfs/dbraw/zinc/21/19/98/408211998.db2.gz HSRQDMQLNXIHFZ-AAEUAGOBSA-N 2 1 309.483 1.944 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158995373 408375967 /nfs/dbraw/zinc/37/59/67/408375967.db2.gz BDDKABPONCFQPF-KONPQCLYSA-N 2 1 320.481 1.845 20 30 DDEDMP C#CCN(C)CCC[NH2+][C@H](c1nccn1C)C1CCOCC1 ZINC000297166062 409834333 /nfs/dbraw/zinc/83/43/33/409834333.db2.gz DDSIWEXXCZUTEP-INIZCTEOSA-N 2 1 304.438 1.433 20 30 DDEDMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC[N@H+]1C ZINC000317428697 409866439 /nfs/dbraw/zinc/86/64/39/409866439.db2.gz PETFGBVMASSSPR-KBMXLJTQSA-N 2 1 303.406 1.370 20 30 DDEDMP CN(C(=O)N[C@H]1CCn2ccnc2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329513935 410339337 /nfs/dbraw/zinc/33/93/37/410339337.db2.gz CQHGBWOFDLGQAT-RDGKXADDSA-N 2 1 317.437 1.669 20 30 DDEDMP CN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329513935 410339358 /nfs/dbraw/zinc/33/93/58/410339358.db2.gz CQHGBWOFDLGQAT-RDGKXADDSA-N 2 1 317.437 1.669 20 30 DDEDMP CN(C([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329513935 410339364 /nfs/dbraw/zinc/33/93/64/410339364.db2.gz CQHGBWOFDLGQAT-RDGKXADDSA-N 2 1 317.437 1.669 20 30 DDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CC[C@]2(CCOC2)C1 ZINC000261981429 222266758 /nfs/dbraw/zinc/26/67/58/222266758.db2.gz OYOXPUSCZRWVQA-INIZCTEOSA-N 2 1 305.426 1.269 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCn1nc(C)cc1C ZINC000264130294 222322588 /nfs/dbraw/zinc/32/25/88/222322588.db2.gz TZQYZWNCTXVRQN-OAHLLOKOSA-N 2 1 306.458 1.279 20 30 DDEDMP C[NH+]=C(NCc1nc(C)cs1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262002192 222268960 /nfs/dbraw/zinc/26/89/60/222268960.db2.gz USXDJBNRVYNTRY-GWCFXTLKSA-N 2 1 307.467 1.599 20 30 DDEDMP C=CCN(C(=O)[C@@H]([NH3+])COC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376103220 418692819 /nfs/dbraw/zinc/69/28/19/418692819.db2.gz MDQHATWUVSZESA-SJORKVTESA-N 2 1 317.433 1.249 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC000567679205 421614090 /nfs/dbraw/zinc/61/40/90/421614090.db2.gz OYXUEZCUMZMEKO-MRXNPFEDSA-N 2 1 312.454 1.173 20 30 DDEDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000580948041 421869444 /nfs/dbraw/zinc/86/94/44/421869444.db2.gz XHPHEHITUYNAHE-SJORKVTESA-N 2 1 317.433 1.619 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(C#N)c(Cl)s1 ZINC000596359536 422375361 /nfs/dbraw/zinc/37/53/61/422375361.db2.gz AFAFVPBFGZEWEM-JTQLQIEISA-N 2 1 315.874 2.352 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(C#N)c(Cl)s1 ZINC000596359536 422375362 /nfs/dbraw/zinc/37/53/62/422375362.db2.gz AFAFVPBFGZEWEM-JTQLQIEISA-N 2 1 315.874 2.352 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]CCC(=O)Nc2cc(C)on2)CC1 ZINC000644548944 423701208 /nfs/dbraw/zinc/70/12/08/423701208.db2.gz VJVPKMNKGCACDO-UHFFFAOYSA-N 2 1 306.410 1.942 20 30 DDEDMP C=CC[C@]1(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC[NH2+]1 ZINC000662670270 424730141 /nfs/dbraw/zinc/73/01/41/424730141.db2.gz CWKRYNBZEIPCES-HLLBOEOZSA-N 2 1 309.454 1.300 20 30 DDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000348317437 277866709 /nfs/dbraw/zinc/86/67/09/277866709.db2.gz IYHKCZLCKQPRBK-LSDHHAIUSA-N 2 1 324.469 1.488 20 30 DDEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000347797021 526602797 /nfs/dbraw/zinc/60/27/97/526602797.db2.gz IYOVAUDPTSINJH-UHFFFAOYSA-N 2 1 305.422 1.942 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000491514286 526806651 /nfs/dbraw/zinc/80/66/51/526806651.db2.gz HJKROIJFZIOWJG-UHFFFAOYSA-N 2 1 308.470 1.315 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000491461324 526808665 /nfs/dbraw/zinc/80/86/65/526808665.db2.gz CTTXUZBPWKSSIX-SJORKVTESA-N 2 1 320.481 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000491666023 526813970 /nfs/dbraw/zinc/81/39/70/526813970.db2.gz JEWNSFPAPOSKEN-HNNXBMFYSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000491666023 526813977 /nfs/dbraw/zinc/81/39/77/526813977.db2.gz JEWNSFPAPOSKEN-HNNXBMFYSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000491666023 526813985 /nfs/dbraw/zinc/81/39/85/526813985.db2.gz JEWNSFPAPOSKEN-HNNXBMFYSA-N 2 1 308.470 1.361 20 30 DDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000491784050 526982410 /nfs/dbraw/zinc/98/24/10/526982410.db2.gz PZULJDBOOLIMJT-SFHVURJKSA-N 2 1 313.445 1.280 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)C(C)C ZINC000344485374 527649893 /nfs/dbraw/zinc/64/98/93/527649893.db2.gz WDBWNKHURXDOLE-XHSDSOJGSA-N 2 1 309.454 1.178 20 30 DDEDMP CCC(CC)[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)[NH+]1CCOCC1 ZINC000424142613 528854386 /nfs/dbraw/zinc/85/43/86/528854386.db2.gz YNHZIHQIBUZTHN-CVEARBPZSA-N 2 1 324.469 1.261 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CC2CCC2)C1 ZINC000971703331 695068664 /nfs/dbraw/zinc/06/86/64/695068664.db2.gz DRQWUTKZQCOVMH-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC000971703331 695068667 /nfs/dbraw/zinc/06/86/67/695068667.db2.gz DRQWUTKZQCOVMH-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CCC2)C1 ZINC000971703331 695068670 /nfs/dbraw/zinc/06/86/70/695068670.db2.gz DRQWUTKZQCOVMH-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CC2CCC2)C1 ZINC000971703331 695068672 /nfs/dbraw/zinc/06/86/72/695068672.db2.gz DRQWUTKZQCOVMH-IRXDYDNUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[NH+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000972639625 695306536 /nfs/dbraw/zinc/30/65/36/695306536.db2.gz VNGPSMJPSDCZMS-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972639625 695306538 /nfs/dbraw/zinc/30/65/38/695306538.db2.gz VNGPSMJPSDCZMS-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC000972639625 695306540 /nfs/dbraw/zinc/30/65/40/695306540.db2.gz VNGPSMJPSDCZMS-WMZOPIPTSA-N 2 1 321.465 1.208 20 30 DDEDMP C[NH+]=C(NCC1CC1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000085192103 696562688 /nfs/dbraw/zinc/56/26/88/696562688.db2.gz CYFLFBZCNHLIEH-UHFFFAOYSA-N 2 1 321.513 1.512 20 30 DDEDMP C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000086883310 696566769 /nfs/dbraw/zinc/56/67/69/696566769.db2.gz GKLDFJVQGDDZAM-CYBMUJFWSA-N 2 1 321.494 1.704 20 30 DDEDMP C[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000086883310 696566770 /nfs/dbraw/zinc/56/67/70/696566770.db2.gz GKLDFJVQGDDZAM-CYBMUJFWSA-N 2 1 321.494 1.704 20 30 DDEDMP C=CCC[N@H+]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000981682622 696872885 /nfs/dbraw/zinc/87/28/85/696872885.db2.gz NKHILGXZFOVYPQ-KRWDZBQOSA-N 2 1 305.466 1.971 20 30 DDEDMP COCCNC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000153555414 696917690 /nfs/dbraw/zinc/91/76/90/696917690.db2.gz YYMNRCXPFJTQRP-QGZVFWFLSA-N 2 1 304.438 1.592 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+](CC#CC)C2 ZINC000981819351 696929784 /nfs/dbraw/zinc/92/97/84/696929784.db2.gz YNAWRBCSUFCVFH-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+](CC#CC)C2 ZINC000981819351 696929787 /nfs/dbraw/zinc/92/97/87/696929787.db2.gz YNAWRBCSUFCVFH-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC#CC)C2 ZINC000981819351 696929789 /nfs/dbraw/zinc/92/97/89/696929789.db2.gz YNAWRBCSUFCVFH-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+](CC#CC)C2 ZINC000981819351 696929791 /nfs/dbraw/zinc/92/97/91/696929791.db2.gz YNAWRBCSUFCVFH-KRWDZBQOSA-N 2 1 313.445 1.032 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000981822137 696931937 /nfs/dbraw/zinc/93/19/37/696931937.db2.gz HYHOBKOLEOBATB-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822137 696931939 /nfs/dbraw/zinc/93/19/39/696931939.db2.gz HYHOBKOLEOBATB-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000981822137 696931940 /nfs/dbraw/zinc/93/19/40/696931940.db2.gz HYHOBKOLEOBATB-MRXNPFEDSA-N 2 1 305.466 1.971 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC000981959077 696985912 /nfs/dbraw/zinc/98/59/12/696985912.db2.gz YAPAYEGDCCWCDK-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959077 696985915 /nfs/dbraw/zinc/98/59/15/696985915.db2.gz YAPAYEGDCCWCDK-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC000981959077 696985917 /nfs/dbraw/zinc/98/59/17/696985917.db2.gz YAPAYEGDCCWCDK-QGZVFWFLSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000981982428 696993527 /nfs/dbraw/zinc/99/35/27/696993527.db2.gz VJEBCOXAAPWURX-UHFFFAOYSA-N 2 1 305.466 1.829 20 30 DDEDMP C#CCC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982081532 697024711 /nfs/dbraw/zinc/02/47/11/697024711.db2.gz UGVJTNFECCRTBS-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081532 697024714 /nfs/dbraw/zinc/02/47/14/697024714.db2.gz UGVJTNFECCRTBS-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982081532 697024717 /nfs/dbraw/zinc/02/47/17/697024717.db2.gz UGVJTNFECCRTBS-QGZVFWFLSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982084783 697025686 /nfs/dbraw/zinc/02/56/86/697025686.db2.gz ZKVPBNNBJPNALU-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000982084783 697025688 /nfs/dbraw/zinc/02/56/88/697025688.db2.gz ZKVPBNNBJPNALU-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000982084783 697025691 /nfs/dbraw/zinc/02/56/91/697025691.db2.gz ZKVPBNNBJPNALU-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP CC#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000982084783 697025694 /nfs/dbraw/zinc/02/56/94/697025694.db2.gz ZKVPBNNBJPNALU-KRWDZBQOSA-N 2 1 305.466 1.807 20 30 DDEDMP C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000982084215 697026015 /nfs/dbraw/zinc/02/60/15/697026015.db2.gz KLFVHMFZSXNZLE-QGZVFWFLSA-N 2 1 305.466 1.809 20 30 DDEDMP C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982119621 697035283 /nfs/dbraw/zinc/03/52/83/697035283.db2.gz BYQULHGGNKVBCB-UHFFFAOYSA-N 2 1 323.868 1.759 20 30 DDEDMP C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000982119621 697035285 /nfs/dbraw/zinc/03/52/85/697035285.db2.gz BYQULHGGNKVBCB-UHFFFAOYSA-N 2 1 323.868 1.759 20 30 DDEDMP C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331034 697068002 /nfs/dbraw/zinc/06/80/02/697068002.db2.gz HVOBFANYUPREFN-OAHLLOKOSA-N 2 1 302.422 1.871 20 30 DDEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000981331034 697068004 /nfs/dbraw/zinc/06/80/04/697068004.db2.gz HVOBFANYUPREFN-OAHLLOKOSA-N 2 1 302.422 1.871 20 30 DDEDMP C=CCC[NH+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982554632 697149817 /nfs/dbraw/zinc/14/98/17/697149817.db2.gz ZYXNMBHHAVFRQZ-OGWHTMIXSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982554632 697149818 /nfs/dbraw/zinc/14/98/18/697149818.db2.gz ZYXNMBHHAVFRQZ-OGWHTMIXSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+](C)C[C@@H]3C)C[C@@]2(C)C1 ZINC000982554632 697149819 /nfs/dbraw/zinc/14/98/19/697149819.db2.gz ZYXNMBHHAVFRQZ-OGWHTMIXSA-N 2 1 319.493 1.931 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000985603421 697541641 /nfs/dbraw/zinc/54/16/41/697541641.db2.gz YNMCFIOKGLWRTN-MRXNPFEDSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[NH+](C)C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000985603421 697541643 /nfs/dbraw/zinc/54/16/43/697541643.db2.gz YNMCFIOKGLWRTN-MRXNPFEDSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985603421 697541646 /nfs/dbraw/zinc/54/16/46/697541646.db2.gz YNMCFIOKGLWRTN-MRXNPFEDSA-N 2 1 309.454 1.204 20 30 DDEDMP C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC000985603421 697541648 /nfs/dbraw/zinc/54/16/48/697541648.db2.gz YNMCFIOKGLWRTN-MRXNPFEDSA-N 2 1 309.454 1.204 20 30 DDEDMP C#CCC[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000779507876 698429024 /nfs/dbraw/zinc/42/90/24/698429024.db2.gz FGRLZLPFHWEBHN-UHFFFAOYSA-N 2 1 300.406 1.075 20 30 DDEDMP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@H+](C)Cc1ccccc1 ZINC000304758413 698624126 /nfs/dbraw/zinc/62/41/26/698624126.db2.gz PYIHPWXXMNNINA-CQSZACIVSA-N 2 1 306.479 1.870 20 30 DDEDMP C[C@H](CNC(=[NH2+])N1CCSCC1)[N@@H+](C)Cc1ccccc1 ZINC000304758413 698624130 /nfs/dbraw/zinc/62/41/30/698624130.db2.gz PYIHPWXXMNNINA-CQSZACIVSA-N 2 1 306.479 1.870 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000304751974 698624331 /nfs/dbraw/zinc/62/43/31/698624331.db2.gz JTWFVESTSALHLV-ARFHVFGLSA-N 2 1 310.486 1.826 20 30 DDEDMP C#CC[NH+]1CC[C@]2(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767777 699154090 /nfs/dbraw/zinc/15/40/90/699154090.db2.gz YUWDJFSICSYUPV-BVIKNXMNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767777 699154092 /nfs/dbraw/zinc/15/40/92/699154092.db2.gz YUWDJFSICSYUPV-BVIKNXMNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC000990767777 699154093 /nfs/dbraw/zinc/15/40/93/699154093.db2.gz YUWDJFSICSYUPV-BVIKNXMNSA-N 2 1 303.450 1.463 20 30 DDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852883833 704160236 /nfs/dbraw/zinc/16/02/36/704160236.db2.gz PHVDICSLOHPOQO-JZXOWHBKSA-N 2 1 317.477 1.853 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C#N)CC1 ZINC000820074781 704216652 /nfs/dbraw/zinc/21/66/52/704216652.db2.gz NVUNHFGGBBBMQU-AWEZNQCLSA-N 2 1 309.458 1.204 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(C#N)CC1 ZINC000820074781 704216655 /nfs/dbraw/zinc/21/66/55/704216655.db2.gz NVUNHFGGBBBMQU-AWEZNQCLSA-N 2 1 309.458 1.204 20 30 DDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C#Cc1ccccc1 ZINC000855346210 704479767 /nfs/dbraw/zinc/47/97/67/704479767.db2.gz RSANEPIFSWKOIS-INIZCTEOSA-N 2 1 301.434 1.426 20 30 DDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C#Cc1ccccc1 ZINC000855346210 704479768 /nfs/dbraw/zinc/47/97/68/704479768.db2.gz RSANEPIFSWKOIS-INIZCTEOSA-N 2 1 301.434 1.426 20 30 DDEDMP N#Cc1ccc(C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)nc1 ZINC000879027351 706566164 /nfs/dbraw/zinc/56/61/64/706566164.db2.gz ZRYLZHZHQPXKDK-QGZVFWFLSA-N 2 1 314.433 1.589 20 30 DDEDMP C#CC1(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000883770057 708061768 /nfs/dbraw/zinc/06/17/68/708061768.db2.gz IZIUPWGLJJLLCB-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C#CC1(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000883770057 708061770 /nfs/dbraw/zinc/06/17/70/708061770.db2.gz IZIUPWGLJJLLCB-HNNXBMFYSA-N 2 1 308.470 1.504 20 30 DDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC[C@@H]21 ZINC000884328124 708247147 /nfs/dbraw/zinc/24/71/47/708247147.db2.gz JGOPRDRHHSJKMZ-YOUGENKZSA-N 2 1 316.449 1.068 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+](CC)C[C@H]2CC)C1 ZINC000890362954 709835838 /nfs/dbraw/zinc/83/58/38/709835838.db2.gz IZSQHCNHDPPIOV-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+](CC)C[C@H]2CC)C1 ZINC000890362954 709835844 /nfs/dbraw/zinc/83/58/44/709835844.db2.gz IZSQHCNHDPPIOV-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC)C[C@H]2CC)C1 ZINC000890362954 709835846 /nfs/dbraw/zinc/83/58/46/709835846.db2.gz IZSQHCNHDPPIOV-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](CC)C[C@H]2CC)C1 ZINC000890362954 709835850 /nfs/dbraw/zinc/83/58/50/709835850.db2.gz IZSQHCNHDPPIOV-HZPDHXFCSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000890368057 709840794 /nfs/dbraw/zinc/84/07/94/709840794.db2.gz ANJIPOWVUVDIJW-YESZJQIVSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000890368057 709840802 /nfs/dbraw/zinc/84/08/02/709840802.db2.gz ANJIPOWVUVDIJW-YESZJQIVSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000890368057 709840807 /nfs/dbraw/zinc/84/08/07/709840807.db2.gz ANJIPOWVUVDIJW-YESZJQIVSA-N 2 1 320.481 1.456 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000890368057 709840813 /nfs/dbraw/zinc/84/08/13/709840813.db2.gz ANJIPOWVUVDIJW-YESZJQIVSA-N 2 1 320.481 1.456 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000901088612 709919436 /nfs/dbraw/zinc/91/94/36/709919436.db2.gz KOTNKOKIRGVDQI-HZPDHXFCSA-N 2 1 309.454 1.254 20 30 DDEDMP COCC[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000912509300 711357890 /nfs/dbraw/zinc/35/78/90/711357890.db2.gz ARWHDIXFJZPXLI-AWEZNQCLSA-N 2 1 314.474 1.077 20 30 DDEDMP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)ccc1C#N ZINC000895770969 711602067 /nfs/dbraw/zinc/60/20/67/711602067.db2.gz SYUFWXVRXXRBSG-ZIAGYGMSSA-N 2 1 300.410 1.185 20 30 DDEDMP C[NH+]1CC[C@@H]1CNc1ccc(C#N)c(NC[C@H]2CC[N@@H+]2C)n1 ZINC000895770969 711602068 /nfs/dbraw/zinc/60/20/68/711602068.db2.gz SYUFWXVRXXRBSG-ZIAGYGMSSA-N 2 1 300.410 1.185 20 30 DDEDMP C[NH+]1CC[C@@H]1CNc1ccc(C#N)c(NC[C@H]2CC[N@H+]2C)n1 ZINC000895770969 711602069 /nfs/dbraw/zinc/60/20/69/711602069.db2.gz SYUFWXVRXXRBSG-ZIAGYGMSSA-N 2 1 300.410 1.185 20 30 DDEDMP C#CC[NH+]1CCC(NC(=S)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000905657140 712108581 /nfs/dbraw/zinc/10/85/81/712108581.db2.gz YROQTERCZVVMBO-HNNXBMFYSA-N 2 1 308.495 1.032 20 30 DDEDMP C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108386 717954952 /nfs/dbraw/zinc/95/49/52/717954952.db2.gz XNFKIQZQHMBXHB-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000966108386 717954958 /nfs/dbraw/zinc/95/49/58/717954958.db2.gz XNFKIQZQHMBXHB-HZPDHXFCSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000923125412 714245308 /nfs/dbraw/zinc/24/53/08/714245308.db2.gz CDSVVKUBFXEPTH-DLBZAZTESA-N 2 1 318.465 1.400 20 30 DDEDMP C#CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000957517194 715937408 /nfs/dbraw/zinc/93/74/08/715937408.db2.gz MLJKRZOBRMOMSF-KRWDZBQOSA-N 2 1 317.477 1.809 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000960347082 716500468 /nfs/dbraw/zinc/50/04/68/716500468.db2.gz NOLAWQABBDGLTG-VVLHAWIVSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC000960347082 716500469 /nfs/dbraw/zinc/50/04/69/716500469.db2.gz NOLAWQABBDGLTG-VVLHAWIVSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC000960347082 716500472 /nfs/dbraw/zinc/50/04/72/716500472.db2.gz NOLAWQABBDGLTG-VVLHAWIVSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCC(C)(C)C)C[C@H]21 ZINC000960347082 716500476 /nfs/dbraw/zinc/50/04/76/716500476.db2.gz NOLAWQABBDGLTG-VVLHAWIVSA-N 2 1 317.477 1.567 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942051902 717452020 /nfs/dbraw/zinc/45/20/20/717452020.db2.gz BIWMTWKVYHSUEN-HOTGVXAUSA-N 2 1 305.466 1.711 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942519065 717715487 /nfs/dbraw/zinc/71/54/87/717715487.db2.gz YVZFSVUWWKAGAE-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000942519065 717715491 /nfs/dbraw/zinc/71/54/91/717715491.db2.gz YVZFSVUWWKAGAE-GDBMZVCRSA-N 2 1 304.438 1.984 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419985 717782868 /nfs/dbraw/zinc/78/28/68/717782868.db2.gz WZECNIYOVGMTEF-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000963419985 717782870 /nfs/dbraw/zinc/78/28/70/717782870.db2.gz WZECNIYOVGMTEF-DLBZAZTESA-N 2 1 314.433 1.528 20 30 DDEDMP C=CCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC[C@@H]2C1 ZINC000946892893 718937451 /nfs/dbraw/zinc/93/74/51/718937451.db2.gz QSEUCQGFGLSTAI-IXDOHACOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892893 718937453 /nfs/dbraw/zinc/93/74/53/718937453.db2.gz QSEUCQGFGLSTAI-IXDOHACOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC[C@@H]2C1 ZINC000946892893 718937454 /nfs/dbraw/zinc/93/74/54/718937454.db2.gz QSEUCQGFGLSTAI-IXDOHACOSA-N 2 1 305.466 1.685 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902708 718939730 /nfs/dbraw/zinc/93/97/30/718939730.db2.gz WIFXYWYUZZRFER-USTZCAOPSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902708 718939733 /nfs/dbraw/zinc/93/97/33/718939733.db2.gz WIFXYWYUZZRFER-USTZCAOPSA-N 2 1 317.477 1.663 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC[C@@H]2C1 ZINC000946902708 718939734 /nfs/dbraw/zinc/93/97/34/718939734.db2.gz WIFXYWYUZZRFER-USTZCAOPSA-N 2 1 317.477 1.663 20 30 DDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC000949051889 719874399 /nfs/dbraw/zinc/87/43/99/719874399.db2.gz SGPCXAZZKMNPGX-INIZCTEOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC000968925340 719875013 /nfs/dbraw/zinc/87/50/13/719875013.db2.gz AMBXUOUBFPEXFK-HOTGVXAUSA-N 2 1 314.433 1.440 20 30 DDEDMP C#CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969682427 720248294 /nfs/dbraw/zinc/24/82/94/720248294.db2.gz VEIRLNPYLLLFOT-HOTGVXAUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000969682427 720248297 /nfs/dbraw/zinc/24/82/97/720248297.db2.gz VEIRLNPYLLLFOT-HOTGVXAUSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000969682427 720248301 /nfs/dbraw/zinc/24/83/01/720248301.db2.gz VEIRLNPYLLLFOT-HOTGVXAUSA-N 2 1 317.477 1.711 20 30 DDEDMP C=CCCN1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000949820944 720363689 /nfs/dbraw/zinc/36/36/89/720363689.db2.gz FHSAZFHGBJTPCK-KRWDZBQOSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)(C)C)C1 ZINC000969865242 720540380 /nfs/dbraw/zinc/54/03/80/720540380.db2.gz MZGOTSXFLSCIJK-WBVHZDCISA-N 2 1 319.493 1.957 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCC(C)(C)C)C1 ZINC000969865242 720540382 /nfs/dbraw/zinc/54/03/82/720540382.db2.gz MZGOTSXFLSCIJK-WBVHZDCISA-N 2 1 319.493 1.957 20 30 DDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC000970712804 720902761 /nfs/dbraw/zinc/90/27/61/720902761.db2.gz SVXBQLSJCWNOKR-QWHCGFSZSA-N 2 1 318.446 1.262 20 30 DDEDMP C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571873 721360605 /nfs/dbraw/zinc/36/06/05/721360605.db2.gz ZRIIZZODKISANB-XJKSGUPXSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC000971571873 721360610 /nfs/dbraw/zinc/36/06/10/721360610.db2.gz ZRIIZZODKISANB-XJKSGUPXSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000971571873 721360616 /nfs/dbraw/zinc/36/06/16/721360616.db2.gz ZRIIZZODKISANB-XJKSGUPXSA-N 2 1 317.437 1.509 20 30 DDEDMP C=CC[NH+](C)[C@H]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000971571873 721360620 /nfs/dbraw/zinc/36/06/20/721360620.db2.gz ZRIIZZODKISANB-XJKSGUPXSA-N 2 1 317.437 1.509 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001023550056 735305157 /nfs/dbraw/zinc/30/51/57/735305157.db2.gz TVSZDZUHHBWAMC-MSOLQXFVSA-N 2 1 319.493 1.960 20 30 DDEDMP C=CCN1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)C1 ZINC000972689801 735475705 /nfs/dbraw/zinc/47/57/05/735475705.db2.gz ZWXFXSHTWRXAER-WMZOPIPTSA-N 2 1 321.465 1.350 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021285204 733107801 /nfs/dbraw/zinc/10/78/01/733107801.db2.gz FTJCMEHOBRQIIM-FBVQUNGASA-N 2 1 315.461 1.606 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001021285204 733107804 /nfs/dbraw/zinc/10/78/04/733107804.db2.gz FTJCMEHOBRQIIM-FBVQUNGASA-N 2 1 315.461 1.606 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001021285204 733107807 /nfs/dbraw/zinc/10/78/07/733107807.db2.gz FTJCMEHOBRQIIM-FBVQUNGASA-N 2 1 315.461 1.606 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001021285204 733107810 /nfs/dbraw/zinc/10/78/10/733107810.db2.gz FTJCMEHOBRQIIM-FBVQUNGASA-N 2 1 315.461 1.606 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001021285204 733107813 /nfs/dbraw/zinc/10/78/13/733107813.db2.gz FTJCMEHOBRQIIM-FBVQUNGASA-N 2 1 315.461 1.606 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001021285186 733108039 /nfs/dbraw/zinc/10/80/39/733108039.db2.gz FCBUMVCEQURRSH-UYTSQGDYSA-N 2 1 307.413 1.165 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001021285186 733108041 /nfs/dbraw/zinc/10/80/41/733108041.db2.gz FCBUMVCEQURRSH-UYTSQGDYSA-N 2 1 307.413 1.165 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001021285186 733108047 /nfs/dbraw/zinc/10/80/47/733108047.db2.gz FCBUMVCEQURRSH-UYTSQGDYSA-N 2 1 307.413 1.165 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001021285186 733108050 /nfs/dbraw/zinc/10/80/50/733108050.db2.gz FCBUMVCEQURRSH-UYTSQGDYSA-N 2 1 307.413 1.165 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001021670552 733426094 /nfs/dbraw/zinc/42/60/94/733426094.db2.gz LTPZAPHCXONRRP-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670552 733426097 /nfs/dbraw/zinc/42/60/97/733426097.db2.gz LTPZAPHCXONRRP-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001021670552 733426100 /nfs/dbraw/zinc/42/61/00/733426100.db2.gz LTPZAPHCXONRRP-IRXDYDNUSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cnc[nH]2)C1 ZINC001021679543 733436634 /nfs/dbraw/zinc/43/66/34/733436634.db2.gz OWRRLMHJWULQGD-GDBMZVCRSA-N 2 1 302.422 1.841 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001021737525 733497884 /nfs/dbraw/zinc/49/78/84/733497884.db2.gz VDXPZOUXSGQISM-IRXDYDNUSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001039375898 733637370 /nfs/dbraw/zinc/63/73/70/733637370.db2.gz CHCPAZFIOADBOI-IKGGRYGDSA-N 2 1 301.434 1.027 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001021895270 733647911 /nfs/dbraw/zinc/64/79/11/733647911.db2.gz KTBXKLVZNVVOGB-IXDOHACOSA-N 2 1 312.417 1.389 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001039388318 733654791 /nfs/dbraw/zinc/65/47/91/733654791.db2.gz LDRPIHXFUYHEMB-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001039388318 733654793 /nfs/dbraw/zinc/65/47/93/733654793.db2.gz LDRPIHXFUYHEMB-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001039388318 733654794 /nfs/dbraw/zinc/65/47/94/733654794.db2.gz LDRPIHXFUYHEMB-KSZLIROESA-N 2 1 317.477 1.949 20 30 DDEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCC(=C)C ZINC001027944550 738846010 /nfs/dbraw/zinc/84/60/10/738846010.db2.gz ZRTWOTSLTXWDRJ-IRXDYDNUSA-N 2 1 303.450 1.631 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244876 761883086 /nfs/dbraw/zinc/88/30/86/761883086.db2.gz ZHTJJZKNQPUTRR-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2C)C1 ZINC001039244876 761883093 /nfs/dbraw/zinc/88/30/93/761883093.db2.gz ZHTJJZKNQPUTRR-SJORKVTESA-N 2 1 314.433 1.528 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001024987364 736215516 /nfs/dbraw/zinc/21/55/16/736215516.db2.gz IXHYDYMQEUJFGH-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001024987364 736215522 /nfs/dbraw/zinc/21/55/22/736215522.db2.gz IXHYDYMQEUJFGH-SJORKVTESA-N 2 1 303.450 1.465 20 30 DDEDMP C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001026099869 737116790 /nfs/dbraw/zinc/11/67/90/737116790.db2.gz JPMJMZFJEZYDIG-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001026099869 737116794 /nfs/dbraw/zinc/11/67/94/737116794.db2.gz JPMJMZFJEZYDIG-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP C=CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001026099869 737116796 /nfs/dbraw/zinc/11/67/96/737116796.db2.gz JPMJMZFJEZYDIG-NRKLIOEPSA-N 2 1 303.450 1.626 20 30 DDEDMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771780 738029445 /nfs/dbraw/zinc/02/94/45/738029445.db2.gz VJDRNFGUPOYZCK-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001008771780 738029446 /nfs/dbraw/zinc/02/94/46/738029446.db2.gz VJDRNFGUPOYZCK-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001008771780 738029449 /nfs/dbraw/zinc/02/94/49/738029449.db2.gz VJDRNFGUPOYZCK-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001008771780 738029453 /nfs/dbraw/zinc/02/94/53/738029453.db2.gz VJDRNFGUPOYZCK-IRXDYDNUSA-N 2 1 305.466 1.853 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001028137646 739078595 /nfs/dbraw/zinc/07/85/95/739078595.db2.gz LVGISSXNIWGZOK-SFHVURJKSA-N 2 1 313.445 1.618 20 30 DDEDMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001028195099 739147139 /nfs/dbraw/zinc/14/71/39/739147139.db2.gz IZPWWXUQCMQDGK-INIZCTEOSA-N 2 1 319.453 1.215 20 30 DDEDMP N#Cc1c(Br)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167881493 739174167 /nfs/dbraw/zinc/17/41/67/739174167.db2.gz HMFMOPIPYVRBDA-UHFFFAOYSA-N 2 1 311.187 1.391 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001032587693 751431597 /nfs/dbraw/zinc/43/15/97/751431597.db2.gz PZLDVNDOVXCFHL-ULQDDVLXSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001032587693 751431602 /nfs/dbraw/zinc/43/16/02/751431602.db2.gz PZLDVNDOVXCFHL-ULQDDVLXSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032587693 751431609 /nfs/dbraw/zinc/43/16/09/751431609.db2.gz PZLDVNDOVXCFHL-ULQDDVLXSA-N 2 1 321.465 1.347 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032587693 751431613 /nfs/dbraw/zinc/43/16/13/751431613.db2.gz PZLDVNDOVXCFHL-ULQDDVLXSA-N 2 1 321.465 1.347 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)C)CC1 ZINC001028334216 739370192 /nfs/dbraw/zinc/37/01/92/739370192.db2.gz XWTWGKBRKLBMOH-GOSISDBHSA-N 2 1 319.493 1.958 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544576 739650493 /nfs/dbraw/zinc/65/04/93/739650493.db2.gz GEOAJVJXVPGNBF-DZGCQCFKSA-N 2 1 311.857 1.519 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001028544576 739650494 /nfs/dbraw/zinc/65/04/94/739650494.db2.gz GEOAJVJXVPGNBF-DZGCQCFKSA-N 2 1 311.857 1.519 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001028921617 740175789 /nfs/dbraw/zinc/17/57/89/740175789.db2.gz VRERXAOVYUKRJH-KRWDZBQOSA-N 2 1 317.477 1.570 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C1 ZINC001088025944 740956400 /nfs/dbraw/zinc/95/64/00/740956400.db2.gz KUPZMBIVHQEJFH-SJORKVTESA-N 2 1 317.477 1.971 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106031 741033949 /nfs/dbraw/zinc/03/39/49/741033949.db2.gz LBMULLQRTRMAQM-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106031 741033953 /nfs/dbraw/zinc/03/39/53/741033953.db2.gz LBMULLQRTRMAQM-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001088106031 741033955 /nfs/dbraw/zinc/03/39/55/741033955.db2.gz LBMULLQRTRMAQM-ZACQAIPSSA-N 2 1 305.466 1.827 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(C)C)C[C@H]32)CC1 ZINC001076605839 742818675 /nfs/dbraw/zinc/81/86/75/742818675.db2.gz VVYGFBKFBUUPAD-ZWKOTPCHSA-N 2 1 317.477 1.520 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001002139572 742907040 /nfs/dbraw/zinc/90/70/40/742907040.db2.gz YWJXJPZYRMRIHT-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001002139572 742907045 /nfs/dbraw/zinc/90/70/45/742907045.db2.gz YWJXJPZYRMRIHT-MRXNPFEDSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001077132157 743263808 /nfs/dbraw/zinc/26/38/08/743263808.db2.gz QHLXNFDKJPGOCH-GVDBMIGSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132157 743263813 /nfs/dbraw/zinc/26/38/13/743263813.db2.gz QHLXNFDKJPGOCH-GVDBMIGSSA-N 2 1 323.481 1.377 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001077132157 743263817 /nfs/dbraw/zinc/26/38/17/743263817.db2.gz QHLXNFDKJPGOCH-GVDBMIGSSA-N 2 1 323.481 1.377 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC3CC(C)C3)C2)CC1 ZINC001016335573 743479809 /nfs/dbraw/zinc/47/98/09/743479809.db2.gz DXPRLUSXTQYALP-LEOMRAHMSA-N 2 1 317.477 1.568 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001184575476 744063701 /nfs/dbraw/zinc/06/37/01/744063701.db2.gz DILLTLMVWATDGQ-JKSUJKDBSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185137046 744167242 /nfs/dbraw/zinc/16/72/42/744167242.db2.gz QFKCMGIUYXQIEK-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185137046 744167246 /nfs/dbraw/zinc/16/72/46/744167246.db2.gz QFKCMGIUYXQIEK-CVEARBPZSA-N 2 1 309.454 1.252 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001185216923 744182051 /nfs/dbraw/zinc/18/20/51/744182051.db2.gz RUYZYPAAASGBLD-CVEARBPZSA-N 2 1 316.449 1.714 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860689 744245552 /nfs/dbraw/zinc/24/55/52/744245552.db2.gz XOTVLCVXSWPDHY-KEYYUXOJSA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H]1C ZINC001088860689 744245554 /nfs/dbraw/zinc/24/55/54/744245554.db2.gz XOTVLCVXSWPDHY-KEYYUXOJSA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860689 744245556 /nfs/dbraw/zinc/24/55/56/744245556.db2.gz XOTVLCVXSWPDHY-KEYYUXOJSA-N 2 1 309.429 1.411 20 30 DDEDMP C#CC[NH+]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H]1C ZINC001088860689 744245558 /nfs/dbraw/zinc/24/55/58/744245558.db2.gz XOTVLCVXSWPDHY-KEYYUXOJSA-N 2 1 309.429 1.411 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC001088912549 744362524 /nfs/dbraw/zinc/36/25/24/744362524.db2.gz DURAIBYHTRGDSF-ZBFHGGJFSA-N 2 1 319.453 1.213 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)[C@@H]2C)CC1 ZINC001089059958 744479891 /nfs/dbraw/zinc/47/98/91/744479891.db2.gz KQCRZCSKSPJBQO-WBVHZDCISA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC000992139853 744629709 /nfs/dbraw/zinc/62/97/09/744629709.db2.gz CVRGEJSNBXPWGJ-SJLPKXTDSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185749 744670864 /nfs/dbraw/zinc/67/08/64/744670864.db2.gz CNNHLDQXSNPXNM-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185749 744670867 /nfs/dbraw/zinc/67/08/67/744670867.db2.gz CNNHLDQXSNPXNM-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC000992185749 744670871 /nfs/dbraw/zinc/67/08/71/744670871.db2.gz CNNHLDQXSNPXNM-LZLYRXPVSA-N 2 1 303.450 1.465 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC)CC1 ZINC001089260121 744818197 /nfs/dbraw/zinc/81/81/97/744818197.db2.gz YOGWCWPZXGMMBK-KRWDZBQOSA-N 2 1 305.466 1.664 20 30 DDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117338 744821734 /nfs/dbraw/zinc/82/17/34/744821734.db2.gz ITCKLXCQPQZTGW-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117338 744821737 /nfs/dbraw/zinc/82/17/37/744821737.db2.gz ITCKLXCQPQZTGW-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001189117338 744821738 /nfs/dbraw/zinc/82/17/38/744821738.db2.gz ITCKLXCQPQZTGW-YESZJQIVSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C12CCC2 ZINC001203729223 745370120 /nfs/dbraw/zinc/37/01/20/745370120.db2.gz DXWPCZCYESADDI-HUUCEWRRSA-N 2 1 300.406 1.232 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001191028434 745408008 /nfs/dbraw/zinc/40/80/08/745408008.db2.gz ATFMTNOMEXCNHV-QGZVFWFLSA-N 2 1 314.433 1.464 20 30 DDEDMP C#CCC[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001191081719 745419526 /nfs/dbraw/zinc/41/95/26/745419526.db2.gz SBZDGCQASDBLEQ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191081719 745419527 /nfs/dbraw/zinc/41/95/27/745419527.db2.gz SBZDGCQASDBLEQ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001191081719 745419531 /nfs/dbraw/zinc/41/95/31/745419531.db2.gz SBZDGCQASDBLEQ-IRXDYDNUSA-N 2 1 305.466 1.663 20 30 DDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106434665 745697825 /nfs/dbraw/zinc/69/78/25/745697825.db2.gz BJTQNJHTJQQMKN-HUUCEWRRSA-N 2 1 314.433 1.079 20 30 DDEDMP C=CCOCC[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001193028640 745964324 /nfs/dbraw/zinc/96/43/24/745964324.db2.gz VWXLQUKBEHASED-QGZVFWFLSA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001193382559 746083275 /nfs/dbraw/zinc/08/32/75/746083275.db2.gz JXHWUSZJLZMXBU-SFHVURJKSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001194275292 746314568 /nfs/dbraw/zinc/31/45/68/746314568.db2.gz RAKFDPAWBNYTHI-SJORKVTESA-N 2 1 305.466 1.663 20 30 DDEDMP C=CCOCC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001196295585 746829942 /nfs/dbraw/zinc/82/99/42/746829942.db2.gz NLXGZEDOYXAYST-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001196295585 746829949 /nfs/dbraw/zinc/82/99/49/746829949.db2.gz NLXGZEDOYXAYST-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP C=CCOCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001196295585 746829956 /nfs/dbraw/zinc/82/99/56/746829956.db2.gz NLXGZEDOYXAYST-INIZCTEOSA-N 2 1 309.454 1.208 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441207 746907907 /nfs/dbraw/zinc/90/79/07/746907907.db2.gz GIPHLAQHHBORGN-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)CC(C)(C)C1 ZINC001089441207 746907913 /nfs/dbraw/zinc/90/79/13/746907913.db2.gz GIPHLAQHHBORGN-MRXNPFEDSA-N 2 1 316.449 1.822 20 30 DDEDMP C[NH+](C)CCC(=O)N1CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC001197028856 747042215 /nfs/dbraw/zinc/04/22/15/747042215.db2.gz KSJHJXIGFIPMHJ-UHFFFAOYSA-N 2 1 314.433 1.544 20 30 DDEDMP C[NH+](C)CCC(=O)N1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001197028856 747042220 /nfs/dbraw/zinc/04/22/20/747042220.db2.gz KSJHJXIGFIPMHJ-UHFFFAOYSA-N 2 1 314.433 1.544 20 30 DDEDMP CC#CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136121 747377545 /nfs/dbraw/zinc/37/75/45/747377545.db2.gz FRFGVXZQFUNILS-UHFFFAOYSA-N 2 1 305.466 1.810 20 30 DDEDMP CC#CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001198136121 747377553 /nfs/dbraw/zinc/37/75/53/747377553.db2.gz FRFGVXZQFUNILS-UHFFFAOYSA-N 2 1 305.466 1.810 20 30 DDEDMP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001089724507 747702157 /nfs/dbraw/zinc/70/21/57/747702157.db2.gz XTFSOQGLOCQBLV-OAHLLOKOSA-N 2 1 305.466 1.875 20 30 DDEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC001127690804 748194193 /nfs/dbraw/zinc/19/41/93/748194193.db2.gz UMRVNESFRSNGQC-CZUORRHYSA-N 2 1 300.406 1.104 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001040943954 748344397 /nfs/dbraw/zinc/34/43/97/748344397.db2.gz CKSJWHAYCBEXAR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001040943954 748344403 /nfs/dbraw/zinc/34/44/03/748344403.db2.gz CKSJWHAYCBEXAR-INIZCTEOSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)CCCO1 ZINC001201612238 748559674 /nfs/dbraw/zinc/55/96/74/748559674.db2.gz NPULJMMNAWNCHD-HOCLYGCPSA-N 2 1 320.437 1.372 20 30 DDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001201863218 748613769 /nfs/dbraw/zinc/61/37/69/748613769.db2.gz JGPBALPFWDTHJV-HOTGVXAUSA-N 2 1 309.454 1.111 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3nc(C)[nH]c3C2)C1 ZINC001033211300 748941797 /nfs/dbraw/zinc/94/17/97/748941797.db2.gz JNLLFARHCBAPFG-GJZGRUSLSA-N 2 1 314.433 1.379 20 30 DDEDMP C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033211300 748941802 /nfs/dbraw/zinc/94/18/02/748941802.db2.gz JNLLFARHCBAPFG-GJZGRUSLSA-N 2 1 314.433 1.379 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1 ZINC001033211300 748941809 /nfs/dbraw/zinc/94/18/09/748941809.db2.gz JNLLFARHCBAPFG-GJZGRUSLSA-N 2 1 314.433 1.379 20 30 DDEDMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033212931 748948848 /nfs/dbraw/zinc/94/88/48/748948848.db2.gz FFXCIGBIHLLZOG-INIZCTEOSA-N 2 1 310.401 1.812 20 30 DDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC000996378419 749543924 /nfs/dbraw/zinc/54/39/24/749543924.db2.gz GQKIGSGOLVYZRL-HZPDHXFCSA-N 2 1 305.466 1.709 20 30 DDEDMP C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001108352199 761971132 /nfs/dbraw/zinc/97/11/32/761971132.db2.gz UALIVTQYZZVNTG-QGZVFWFLSA-N 2 1 311.470 1.502 20 30 DDEDMP C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001039386196 761986880 /nfs/dbraw/zinc/98/68/80/761986880.db2.gz BSDKBBHNQBIFSR-IKGGRYGDSA-N 2 1 305.466 1.968 20 30 DDEDMP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000996667941 749867640 /nfs/dbraw/zinc/86/76/40/749867640.db2.gz AUUDQLMBRDWHMP-KRWDZBQOSA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001033856673 749995806 /nfs/dbraw/zinc/99/58/06/749995806.db2.gz VEFDROCLDTYYIB-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001033856673 749995810 /nfs/dbraw/zinc/99/58/10/749995810.db2.gz VEFDROCLDTYYIB-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001033856673 749995813 /nfs/dbraw/zinc/99/58/13/749995813.db2.gz VEFDROCLDTYYIB-MSOLQXFVSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107554822 750128275 /nfs/dbraw/zinc/12/82/75/750128275.db2.gz MSJZBAWQWDGKCP-LZLYRXPVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034011725 750249601 /nfs/dbraw/zinc/24/96/01/750249601.db2.gz KRAKDOCXPKVXBW-GOSISDBHSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C2 ZINC001095902637 751214010 /nfs/dbraw/zinc/21/40/10/751214010.db2.gz KCABNSFOBVSWOZ-NCOADZHNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C2 ZINC001095902637 751214013 /nfs/dbraw/zinc/21/40/13/751214013.db2.gz KCABNSFOBVSWOZ-NCOADZHNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095902637 751214016 /nfs/dbraw/zinc/21/40/16/751214016.db2.gz KCABNSFOBVSWOZ-NCOADZHNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+](CCC)C1)C2 ZINC001095902637 751214019 /nfs/dbraw/zinc/21/40/19/751214019.db2.gz KCABNSFOBVSWOZ-NCOADZHNSA-N 2 1 303.450 1.463 20 30 DDEDMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001035222796 751300345 /nfs/dbraw/zinc/30/03/45/751300345.db2.gz HPOLAGOKAQVOFX-UHFFFAOYSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000998902669 752352222 /nfs/dbraw/zinc/35/22/22/752352222.db2.gz WXWMWLSMKQDPCU-NRXISQOPSA-N 2 1 302.422 1.916 20 30 DDEDMP C=CCCC[NH+]1CCO[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001108421603 762136717 /nfs/dbraw/zinc/13/67/17/762136717.db2.gz QCWGXNSLQUYBPU-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421603 762136723 /nfs/dbraw/zinc/13/67/23/762136723.db2.gz QCWGXNSLQUYBPU-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C=CCCC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001108421603 762136726 /nfs/dbraw/zinc/13/67/26/762136726.db2.gz QCWGXNSLQUYBPU-KRWDZBQOSA-N 2 1 311.470 1.500 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000999208464 752655700 /nfs/dbraw/zinc/65/57/00/752655700.db2.gz KVDLGICFPNPWTG-CZUORRHYSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC000999208464 752655705 /nfs/dbraw/zinc/65/57/05/752655705.db2.gz KVDLGICFPNPWTG-CZUORRHYSA-N 2 1 315.421 1.004 20 30 DDEDMP C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC000999208464 752655710 /nfs/dbraw/zinc/65/57/10/752655710.db2.gz KVDLGICFPNPWTG-CZUORRHYSA-N 2 1 315.421 1.004 20 30 DDEDMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008344788 752684009 /nfs/dbraw/zinc/68/40/09/752684009.db2.gz TTXQRKUXWMURFL-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001008344788 752684013 /nfs/dbraw/zinc/68/40/13/752684013.db2.gz TTXQRKUXWMURFL-CVEARBPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C#CCC[NH+]1CCC[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001008506558 752772091 /nfs/dbraw/zinc/77/20/91/752772091.db2.gz CROHPEWCPIJDSS-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008506558 752772093 /nfs/dbraw/zinc/77/20/93/752772093.db2.gz CROHPEWCPIJDSS-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001008506558 752772097 /nfs/dbraw/zinc/77/20/97/752772097.db2.gz CROHPEWCPIJDSS-MAUKXSAKSA-N 2 1 323.456 1.803 20 30 DDEDMP C#CCC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001006072780 753562074 /nfs/dbraw/zinc/56/20/74/753562074.db2.gz MIZGAGYNYJRPSX-UHFFFAOYSA-N 2 1 316.449 1.953 20 30 DDEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001001750411 754475468 /nfs/dbraw/zinc/47/54/68/754475468.db2.gz ALAPNOWIIQMKCU-SFHVURJKSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001079949059 755649790 /nfs/dbraw/zinc/64/97/90/755649790.db2.gz NAKOWPWLVPJZAU-HZPDHXFCSA-N 2 1 303.450 1.322 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021775 755687082 /nfs/dbraw/zinc/68/70/82/755687082.db2.gz QQRWEXKUEHAAOG-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001080021775 755687086 /nfs/dbraw/zinc/68/70/86/755687086.db2.gz QQRWEXKUEHAAOG-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001080021775 755687091 /nfs/dbraw/zinc/68/70/91/755687091.db2.gz QQRWEXKUEHAAOG-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001080021775 755687095 /nfs/dbraw/zinc/68/70/95/755687095.db2.gz QQRWEXKUEHAAOG-BRWVUGGUSA-N 2 1 305.466 1.567 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001080318340 755849052 /nfs/dbraw/zinc/84/90/52/755849052.db2.gz OMPGLCDQCSOFTO-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001080318340 755849058 /nfs/dbraw/zinc/84/90/58/755849058.db2.gz OMPGLCDQCSOFTO-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318340 755849067 /nfs/dbraw/zinc/84/90/67/755849067.db2.gz OMPGLCDQCSOFTO-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001080318340 755849072 /nfs/dbraw/zinc/84/90/72/755849072.db2.gz OMPGLCDQCSOFTO-OAGGEKHMSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001014711629 755902193 /nfs/dbraw/zinc/90/21/93/755902193.db2.gz OYENVRKUTCJACF-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001014711629 755902197 /nfs/dbraw/zinc/90/21/97/755902197.db2.gz OYENVRKUTCJACF-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001014711629 755902203 /nfs/dbraw/zinc/90/22/03/755902203.db2.gz OYENVRKUTCJACF-WBVHZDCISA-N 2 1 321.465 1.396 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441742 755919426 /nfs/dbraw/zinc/91/94/26/755919426.db2.gz XQPCMUWKJMRUOF-RKVPGOIHSA-N 2 1 323.456 1.659 20 30 DDEDMP CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001080441742 755919427 /nfs/dbraw/zinc/91/94/27/755919427.db2.gz XQPCMUWKJMRUOF-RKVPGOIHSA-N 2 1 323.456 1.659 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001080441742 755919428 /nfs/dbraw/zinc/91/94/28/755919428.db2.gz XQPCMUWKJMRUOF-RKVPGOIHSA-N 2 1 323.456 1.659 20 30 DDEDMP CC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001080441742 755919429 /nfs/dbraw/zinc/91/94/29/755919429.db2.gz XQPCMUWKJMRUOF-RKVPGOIHSA-N 2 1 323.456 1.659 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001081227159 756238377 /nfs/dbraw/zinc/23/83/77/756238377.db2.gz TWLCRYAVRIXPGR-OKZBNKHCSA-N 2 1 313.445 1.708 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659359 756415204 /nfs/dbraw/zinc/41/52/04/756415204.db2.gz XUXIOKZYKYCMPT-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001081659359 756415206 /nfs/dbraw/zinc/41/52/06/756415206.db2.gz XUXIOKZYKYCMPT-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001081659359 756415208 /nfs/dbraw/zinc/41/52/08/756415208.db2.gz XUXIOKZYKYCMPT-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001081659359 756415210 /nfs/dbraw/zinc/41/52/10/756415210.db2.gz XUXIOKZYKYCMPT-OWCLPIDISA-N 2 1 309.454 1.251 20 30 DDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699290 756454043 /nfs/dbraw/zinc/45/40/43/756454043.db2.gz NUUQFXWPADPFOK-ZJIFWQFVSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699290 756454045 /nfs/dbraw/zinc/45/40/45/756454045.db2.gz NUUQFXWPADPFOK-ZJIFWQFVSA-N 2 1 309.454 1.108 20 30 DDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](OC)C1 ZINC001081699290 756454046 /nfs/dbraw/zinc/45/40/46/756454046.db2.gz NUUQFXWPADPFOK-ZJIFWQFVSA-N 2 1 309.454 1.108 20 30 DDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](OC)C1 ZINC001081894230 756543153 /nfs/dbraw/zinc/54/31/53/756543153.db2.gz ODWGWJSHQCRLDY-HUUCEWRRSA-N 2 1 307.438 1.006 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001016253374 756871249 /nfs/dbraw/zinc/87/12/49/756871249.db2.gz FSQWXGJWVPJMKP-QZTJIDSGSA-N 2 1 311.429 1.180 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)C1 ZINC001016253374 756871255 /nfs/dbraw/zinc/87/12/55/756871255.db2.gz FSQWXGJWVPJMKP-QZTJIDSGSA-N 2 1 311.429 1.180 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)C1 ZINC001016253374 756871259 /nfs/dbraw/zinc/87/12/59/756871259.db2.gz FSQWXGJWVPJMKP-QZTJIDSGSA-N 2 1 311.429 1.180 20 30 DDEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)C1 ZINC001016253374 756871265 /nfs/dbraw/zinc/87/12/65/756871265.db2.gz FSQWXGJWVPJMKP-QZTJIDSGSA-N 2 1 311.429 1.180 20 30 DDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001082742392 756910132 /nfs/dbraw/zinc/91/01/32/756910132.db2.gz DFXUAPDQJDXDPI-IVMMDQJWSA-N 2 1 302.422 1.376 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001016684359 757265191 /nfs/dbraw/zinc/26/51/91/757265191.db2.gz ADXGNGSUXVZKLU-OAGGEKHMSA-N 2 1 321.465 1.252 20 30 DDEDMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001016684359 757265196 /nfs/dbraw/zinc/26/51/96/757265196.db2.gz ADXGNGSUXVZKLU-OAGGEKHMSA-N 2 1 321.465 1.252 20 30 DDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700841 757793001 /nfs/dbraw/zinc/79/30/01/757793001.db2.gz CHKXLIDINGMDOP-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)[C@@H]2C1 ZINC001084700841 757793008 /nfs/dbraw/zinc/79/30/08/757793008.db2.gz CHKXLIDINGMDOP-BRWVUGGUSA-N 2 1 303.450 1.417 20 30 DDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084745268 757855277 /nfs/dbraw/zinc/85/52/77/757855277.db2.gz QLSUZOKLQYZWMZ-NVXWUHKLSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4cncn4C3)C[C@@H]21 ZINC001084975927 758114326 /nfs/dbraw/zinc/11/43/26/758114326.db2.gz ZFWUCEJPTQDQRZ-INMHGKMJSA-N 2 1 312.417 1.002 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001017737569 758196211 /nfs/dbraw/zinc/19/62/11/758196211.db2.gz KYWWMNUDUSQUQF-IYBDPMFKSA-N 2 1 302.422 1.833 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1c[nH+]cc1C ZINC001017737569 758196220 /nfs/dbraw/zinc/19/62/20/758196220.db2.gz KYWWMNUDUSQUQF-IYBDPMFKSA-N 2 1 302.422 1.833 20 30 DDEDMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001017835250 758283739 /nfs/dbraw/zinc/28/37/39/758283739.db2.gz HYIJZWDZLYCCIB-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017835250 758283748 /nfs/dbraw/zinc/28/37/48/758283748.db2.gz HYIJZWDZLYCCIB-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001017835250 758283759 /nfs/dbraw/zinc/28/37/59/758283759.db2.gz HYIJZWDZLYCCIB-OKZBNKHCSA-N 2 1 317.477 1.807 20 30 DDEDMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018065971 758519292 /nfs/dbraw/zinc/51/92/92/758519292.db2.gz ZMYFNVLJWDDADE-CALCHBBNSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC001018065971 758519297 /nfs/dbraw/zinc/51/92/97/758519297.db2.gz ZMYFNVLJWDDADE-CALCHBBNSA-N 2 1 321.465 1.350 20 30 DDEDMP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)O2 ZINC001053698427 758708331 /nfs/dbraw/zinc/70/83/31/758708331.db2.gz LCKMXGJWAPIDJA-CVEARBPZSA-N 2 1 321.465 1.254 20 30 DDEDMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001001245643 762693347 /nfs/dbraw/zinc/69/33/47/762693347.db2.gz QBUBOJIMIGXGQJ-IAGOWNOFSA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001001245643 762693348 /nfs/dbraw/zinc/69/33/48/762693348.db2.gz QBUBOJIMIGXGQJ-IAGOWNOFSA-N 2 1 303.450 1.938 20 30 DDEDMP C=CC[NH+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001001245643 762693352 /nfs/dbraw/zinc/69/33/52/762693352.db2.gz QBUBOJIMIGXGQJ-IAGOWNOFSA-N 2 1 303.450 1.938 20 30 DDEDMP C#CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001001253144 762699446 /nfs/dbraw/zinc/69/94/46/762699446.db2.gz QSOSPYUJBVCXNR-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001001253144 762699449 /nfs/dbraw/zinc/69/94/49/762699449.db2.gz QSOSPYUJBVCXNR-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C#CCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001001253144 762699455 /nfs/dbraw/zinc/69/94/55/762699455.db2.gz QSOSPYUJBVCXNR-ROUUACIJSA-N 2 1 315.461 1.775 20 30 DDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1C ZINC001054913025 760180475 /nfs/dbraw/zinc/18/04/75/760180475.db2.gz ZTVNTWSVTYOQOE-GOEBONIOSA-N 2 1 316.449 1.775 20 30 DDEDMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001085781627 760216400 /nfs/dbraw/zinc/21/64/00/760216400.db2.gz ATBWJOXSCVHCDH-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781627 760216403 /nfs/dbraw/zinc/21/64/03/760216403.db2.gz ATBWJOXSCVHCDH-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001085781627 760216411 /nfs/dbraw/zinc/21/64/11/760216411.db2.gz ATBWJOXSCVHCDH-IAGOWNOFSA-N 2 1 323.481 1.595 20 30 DDEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001086176049 761112916 /nfs/dbraw/zinc/11/29/16/761112916.db2.gz ZCAFWYUBWSBLMX-JZXOWHBKSA-N 2 1 317.477 1.901 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCC2CC2)CC1 ZINC001039042561 761683062 /nfs/dbraw/zinc/68/30/62/761683062.db2.gz TWSMRALSABQJRF-KRWDZBQOSA-N 2 1 303.450 1.322 20 30 DDEDMP C#CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)C2)C1 ZINC001041587193 763160421 /nfs/dbraw/zinc/16/04/21/763160421.db2.gz OYMVVHABJQEOGT-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587193 763160428 /nfs/dbraw/zinc/16/04/28/763160428.db2.gz OYMVVHABJQEOGT-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001041587193 763160434 /nfs/dbraw/zinc/16/04/34/763160434.db2.gz OYMVVHABJQEOGT-MJGOQNOKSA-N 2 1 317.477 1.666 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)C1 ZINC001041837363 763392297 /nfs/dbraw/zinc/39/22/97/763392297.db2.gz GEVYEUICPUZVDX-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)C1 ZINC001041837363 763392307 /nfs/dbraw/zinc/39/23/07/763392307.db2.gz GEVYEUICPUZVDX-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837363 763392315 /nfs/dbraw/zinc/39/23/15/763392315.db2.gz GEVYEUICPUZVDX-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C2)C1 ZINC001041837363 763392322 /nfs/dbraw/zinc/39/23/22/763392322.db2.gz GEVYEUICPUZVDX-FUHWJXTLSA-N 2 1 321.465 1.208 20 30 DDEDMP C=CCCCCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129386934 763472762 /nfs/dbraw/zinc/47/27/62/763472762.db2.gz QXTYSXGEJCAJGD-INIZCTEOSA-N 2 1 321.469 1.266 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001042187793 763755496 /nfs/dbraw/zinc/75/54/96/763755496.db2.gz OKNCLUOITKTLOI-IRXDYDNUSA-N 2 1 317.477 1.807 20 30 DDEDMP CC#CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992760 768176300 /nfs/dbraw/zinc/17/63/00/768176300.db2.gz BYJJLWNKQXSGIH-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001046992760 768176303 /nfs/dbraw/zinc/17/63/03/768176303.db2.gz BYJJLWNKQXSGIH-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001046992760 768176305 /nfs/dbraw/zinc/17/63/05/768176305.db2.gz BYJJLWNKQXSGIH-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[NH+]1CCC(F)(F)[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001046992760 768176308 /nfs/dbraw/zinc/17/63/08/768176308.db2.gz BYJJLWNKQXSGIH-UONOGXRCSA-N 2 1 313.392 1.035 20 30 DDEDMP CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042356971 763961068 /nfs/dbraw/zinc/96/10/68/763961068.db2.gz VKUPQPSCJRWKKI-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP CC#CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001042356971 763961071 /nfs/dbraw/zinc/96/10/71/763961071.db2.gz VKUPQPSCJRWKKI-JKSUJKDBSA-N 2 1 300.406 1.138 20 30 DDEDMP C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]21 ZINC001042374767 763978530 /nfs/dbraw/zinc/97/85/30/763978530.db2.gz MLWNXHVHUKAQCY-UONOGXRCSA-N 2 1 308.813 1.558 20 30 DDEDMP C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)Cn3ccnc3)C[C@H]21 ZINC001042374767 763978535 /nfs/dbraw/zinc/97/85/35/763978535.db2.gz MLWNXHVHUKAQCY-UONOGXRCSA-N 2 1 308.813 1.558 20 30 DDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753906 764002881 /nfs/dbraw/zinc/00/28/81/764002881.db2.gz IGNMUIHQVDHEHN-CQSZACIVSA-N 2 1 311.857 1.615 20 30 DDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C2 ZINC001112586207 764427909 /nfs/dbraw/zinc/42/79/09/764427909.db2.gz MXHRRBKTOCXKCR-WMZOPIPTSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001112965738 765054530 /nfs/dbraw/zinc/05/45/30/765054530.db2.gz MABIOIJAUFVIHW-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCOCC[NH+]1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001112965738 765054536 /nfs/dbraw/zinc/05/45/36/765054536.db2.gz MABIOIJAUFVIHW-QGZVFWFLSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[NH+]1CC[C@]2(C1)CN(C(=O)C[N@H+](C)CCC)C[C@@H](C)O2 ZINC001131697405 768279598 /nfs/dbraw/zinc/27/95/98/768279598.db2.gz KNJWBZAEASYDTA-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697405 768279601 /nfs/dbraw/zinc/27/96/01/768279601.db2.gz KNJWBZAEASYDTA-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@@H+]1CC[C@]2(C1)CN(C(=O)C[NH+](C)CCC)C[C@@H](C)O2 ZINC001131697405 768279604 /nfs/dbraw/zinc/27/96/04/768279604.db2.gz KNJWBZAEASYDTA-AEFFLSMTSA-N 2 1 323.481 1.596 20 30 DDEDMP C=CCC[N@H+](CCO)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001098466607 765694636 /nfs/dbraw/zinc/69/46/36/765694636.db2.gz NYFYLMDMMFXZCF-UHFFFAOYSA-N 2 1 323.481 1.190 20 30 DDEDMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001052387062 765781386 /nfs/dbraw/zinc/78/13/86/765781386.db2.gz WSCRPVNRKYXYIL-DLBZAZTESA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001052515187 765908657 /nfs/dbraw/zinc/90/86/57/765908657.db2.gz AYWVWPRHATVUAJ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515187 765908659 /nfs/dbraw/zinc/90/86/59/765908659.db2.gz AYWVWPRHATVUAJ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001052515187 765908662 /nfs/dbraw/zinc/90/86/62/765908662.db2.gz AYWVWPRHATVUAJ-DLBZAZTESA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001047265674 768347720 /nfs/dbraw/zinc/34/77/20/768347720.db2.gz VINHDJAEWADQBM-ROUUACIJSA-N 2 1 317.477 1.522 20 30 DDEDMP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001045985618 766762080 /nfs/dbraw/zinc/76/20/80/766762080.db2.gz YHASLXSCFPVSKW-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001045985618 766762090 /nfs/dbraw/zinc/76/20/90/766762090.db2.gz YHASLXSCFPVSKW-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP CC#CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001045985618 766762091 /nfs/dbraw/zinc/76/20/91/766762091.db2.gz YHASLXSCFPVSKW-PKOBYXMFSA-N 2 1 317.477 1.666 20 30 DDEDMP C#CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001046376046 767486395 /nfs/dbraw/zinc/48/63/95/767486395.db2.gz QTLDBLROZOVBLA-AEFFLSMTSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046376046 767486402 /nfs/dbraw/zinc/48/64/02/767486402.db2.gz QTLDBLROZOVBLA-AEFFLSMTSA-N 2 1 305.466 1.568 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001046376046 767486409 /nfs/dbraw/zinc/48/64/09/767486409.db2.gz QTLDBLROZOVBLA-AEFFLSMTSA-N 2 1 305.466 1.568 20 30 DDEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001130418896 767521734 /nfs/dbraw/zinc/52/17/34/767521734.db2.gz BMSYJRCBZULMIE-UHFFFAOYSA-N 2 1 320.412 1.633 20 30 DDEDMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001046478168 767612221 /nfs/dbraw/zinc/61/22/21/767612221.db2.gz XJLRHYUKQZXULY-SFHVURJKSA-N 2 1 323.400 1.485 20 30 DDEDMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569613 767698997 /nfs/dbraw/zinc/69/89/97/767698997.db2.gz KJDUUBJBFGVTCM-YJBOKZPZSA-N 2 1 316.449 1.911 20 30 DDEDMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001046569613 767699006 /nfs/dbraw/zinc/69/90/06/767699006.db2.gz KJDUUBJBFGVTCM-YJBOKZPZSA-N 2 1 316.449 1.911 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613779 767739434 /nfs/dbraw/zinc/73/94/34/767739434.db2.gz GKNROQGEJCAUQQ-QAPCUYQASA-N 2 1 314.433 1.358 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001046613779 767739437 /nfs/dbraw/zinc/73/94/37/767739437.db2.gz GKNROQGEJCAUQQ-QAPCUYQASA-N 2 1 314.433 1.358 20 30 DDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)CC[C@H]1C ZINC001132127755 768639792 /nfs/dbraw/zinc/63/97/92/768639792.db2.gz CPZCSAIVRCGENF-CVEARBPZSA-N 2 1 323.481 1.500 20 30 DDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132364694 768778745 /nfs/dbraw/zinc/77/87/45/768778745.db2.gz DWVQOCGZRANVLO-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)CC[C@@H]1C ZINC001132364694 768778748 /nfs/dbraw/zinc/77/87/48/768778748.db2.gz DWVQOCGZRANVLO-RDJZCZTQSA-N 2 1 316.449 1.964 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)CC[C@@H]1C ZINC001132517787 768931449 /nfs/dbraw/zinc/93/14/49/768931449.db2.gz GQSXQHGDWJQRHN-HOTGVXAUSA-N 2 1 311.470 1.498 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C)[C@H](C[NH2+]CC#CCOC)C1 ZINC001133226516 769602986 /nfs/dbraw/zinc/60/29/86/769602986.db2.gz VGZVLLPTOAGHEP-DLBZAZTESA-N 2 1 323.481 1.052 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071689310 769885318 /nfs/dbraw/zinc/88/53/18/769885318.db2.gz INNNCUWKRIOQGQ-ZBFHGGJFSA-N 2 1 310.401 1.940 20 30 DDEDMP C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863829 770008740 /nfs/dbraw/zinc/00/87/40/770008740.db2.gz MKVLADPLUAIVJP-OWCLPIDISA-N 2 1 312.417 1.174 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]2C1 ZINC001048863829 770008751 /nfs/dbraw/zinc/00/87/51/770008751.db2.gz MKVLADPLUAIVJP-OWCLPIDISA-N 2 1 312.417 1.174 20 30 DDEDMP C=CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C[C@H]2C1 ZINC001048912343 770099638 /nfs/dbraw/zinc/09/96/38/770099638.db2.gz HFMPRIIQFMQRJQ-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048912343 770099652 /nfs/dbraw/zinc/09/96/52/770099652.db2.gz HFMPRIIQFMQRJQ-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001048912343 770099665 /nfs/dbraw/zinc/09/96/65/770099665.db2.gz HFMPRIIQFMQRJQ-IXDOHACOSA-N 2 1 305.466 1.683 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089408 770350250 /nfs/dbraw/zinc/35/02/50/770350250.db2.gz MSSWUJAJBIJXHA-IYBDPMFKSA-N 2 1 314.433 1.420 20 30 DDEDMP CC#CC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2C1 ZINC001049089408 770350257 /nfs/dbraw/zinc/35/02/57/770350257.db2.gz MSSWUJAJBIJXHA-IYBDPMFKSA-N 2 1 314.433 1.420 20 30 DDEDMP C#CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001049094530 770362043 /nfs/dbraw/zinc/36/20/43/770362043.db2.gz KMMDIRIZBGNJGI-KURKYZTESA-N 2 1 317.477 1.664 20 30 DDEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001133869570 770391932 /nfs/dbraw/zinc/39/19/32/770391932.db2.gz GWSYPNLCVVSKGA-RISCZKNCSA-N 2 1 306.435 1.023 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCC=C)C2)CC1 ZINC001072095030 770534272 /nfs/dbraw/zinc/53/42/72/770534272.db2.gz FGWPUKDYTGZLMQ-WMZOPIPTSA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC#CC)C2)CC1 ZINC001072095897 770535991 /nfs/dbraw/zinc/53/59/91/770535991.db2.gz PXVRDZBWLSVYII-SJLPKXTDSA-N 2 1 315.461 1.324 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001049463890 770884051 /nfs/dbraw/zinc/88/40/51/770884051.db2.gz KEGPITZWLOAFTF-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001049463890 770884062 /nfs/dbraw/zinc/88/40/62/770884062.db2.gz KEGPITZWLOAFTF-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001049463890 770884073 /nfs/dbraw/zinc/88/40/73/770884073.db2.gz KEGPITZWLOAFTF-RCCFBDPRSA-N 2 1 317.477 1.948 20 30 DDEDMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001049671398 771071138 /nfs/dbraw/zinc/07/11/38/771071138.db2.gz LBGZIAJPRSDEGX-NXOAAHMSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671398 771071142 /nfs/dbraw/zinc/07/11/42/771071142.db2.gz LBGZIAJPRSDEGX-NXOAAHMSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001049671398 771071147 /nfs/dbraw/zinc/07/11/47/771071147.db2.gz LBGZIAJPRSDEGX-NXOAAHMSSA-N 2 1 303.450 1.415 20 30 DDEDMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001049718764 771111663 /nfs/dbraw/zinc/11/16/63/771111663.db2.gz NJIQUVPEJKPMSE-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718764 771111664 /nfs/dbraw/zinc/11/16/64/771111664.db2.gz NJIQUVPEJKPMSE-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)(C)C1 ZINC001049718764 771111665 /nfs/dbraw/zinc/11/16/65/771111665.db2.gz NJIQUVPEJKPMSE-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001135021538 771282273 /nfs/dbraw/zinc/28/22/73/771282273.db2.gz PCQCXGDQSGTNEW-UONOGXRCSA-N 2 1 304.438 1.821 20 30 DDEDMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001086785175 771726341 /nfs/dbraw/zinc/72/63/41/771726341.db2.gz MWRICWBZSWMDBE-ARFHVFGLSA-N 2 1 309.454 1.156 20 30 DDEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](O)C1 ZINC001090831663 772250796 /nfs/dbraw/zinc/25/07/96/772250796.db2.gz UPDJYKHYJSPVOV-SJORKVTESA-N 2 1 317.433 1.099 20 30 DDEDMP C=CC[N@@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001098495368 772614786 /nfs/dbraw/zinc/61/47/86/772614786.db2.gz QVISBLJGZSQXID-AWEZNQCLSA-N 2 1 320.437 1.060 20 30 DDEDMP C=CC[N@H+](CCO)C1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001098495368 772614788 /nfs/dbraw/zinc/61/47/88/772614788.db2.gz QVISBLJGZSQXID-AWEZNQCLSA-N 2 1 320.437 1.060 20 30 DDEDMP CC[N@@H+](C)CCC(=O)NCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001146719217 772925634 /nfs/dbraw/zinc/92/56/34/772925634.db2.gz LFHJBZXRVZJKFB-UHFFFAOYSA-N 2 1 305.397 1.225 20 30 DDEDMP C=CC[N@H+]1CCCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001073679526 773298508 /nfs/dbraw/zinc/29/85/08/773298508.db2.gz OGAJHXYEVOUXHX-MRXNPFEDSA-N 2 1 314.389 1.341 20 30 DDEDMP C=C(Br)C[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148570643 773518680 /nfs/dbraw/zinc/51/86/80/773518680.db2.gz JIWKWKPUVLYABL-UHFFFAOYSA-N 2 1 306.248 1.333 20 30 DDEDMP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC001086907904 773709520 /nfs/dbraw/zinc/70/95/20/773709520.db2.gz GVRLWXCTSJRIHX-SJORKVTESA-N 2 1 317.477 1.807 20 30 DDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C[C@]2(C)C1 ZINC001091809324 773813343 /nfs/dbraw/zinc/81/33/43/773813343.db2.gz BSSJPJFBPNMBIZ-AOIWGVFYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809324 773813345 /nfs/dbraw/zinc/81/33/45/773813345.db2.gz BSSJPJFBPNMBIZ-AOIWGVFYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@]2(C)C1 ZINC001091809324 773813350 /nfs/dbraw/zinc/81/33/50/773813350.db2.gz BSSJPJFBPNMBIZ-AOIWGVFYSA-N 2 1 317.477 1.520 20 30 DDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001091818591 773828621 /nfs/dbraw/zinc/82/86/21/773828621.db2.gz HBMCLPZUKPBKEQ-WBVHZDCISA-N 2 1 301.434 1.028 20 30 DDEDMP C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099094333 774827372 /nfs/dbraw/zinc/82/73/72/774827372.db2.gz SKZUNEGYUZOCNA-WMZOPIPTSA-N 2 1 305.466 1.875 20 30 DDEDMP C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001099094333 774827374 /nfs/dbraw/zinc/82/73/74/774827374.db2.gz SKZUNEGYUZOCNA-WMZOPIPTSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036870755 775007488 /nfs/dbraw/zinc/00/74/88/775007488.db2.gz AAWCSSWOMUWCBQ-CVEARBPZSA-N 2 1 301.434 1.028 20 30 DDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896535 776009493 /nfs/dbraw/zinc/00/94/93/776009493.db2.gz QAOUESDTRGXZGJ-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)CC[C@@H]21 ZINC001036896535 776009499 /nfs/dbraw/zinc/00/94/99/776009499.db2.gz QAOUESDTRGXZGJ-CVEARBPZSA-N 2 1 300.406 1.138 20 30 DDEDMP C#CCC[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001100471126 776200301 /nfs/dbraw/zinc/20/03/01/776200301.db2.gz PZUDIMHDCUZZGM-OFLPRAFFSA-N 2 1 305.466 1.615 20 30 DDEDMP C=CCOCC[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678257 776430614 /nfs/dbraw/zinc/43/06/14/776430614.db2.gz FDDRWPUYZSNDKF-QQFBHYJXSA-N 2 1 309.454 1.015 20 30 DDEDMP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001150325612 777410739 /nfs/dbraw/zinc/41/07/39/777410739.db2.gz REAVPWKANOHNFA-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150325612 777410744 /nfs/dbraw/zinc/41/07/44/777410744.db2.gz REAVPWKANOHNFA-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=C(C)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001150325612 777410755 /nfs/dbraw/zinc/41/07/55/777410755.db2.gz REAVPWKANOHNFA-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156542 777906807 /nfs/dbraw/zinc/90/68/07/777906807.db2.gz YNNFOVAMSQLNQY-GDBMZVCRSA-N 2 1 320.437 1.078 20 30 DDEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC001102156542 777906810 /nfs/dbraw/zinc/90/68/10/777906810.db2.gz YNNFOVAMSQLNQY-GDBMZVCRSA-N 2 1 320.437 1.078 20 30 DDEDMP C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103722656 779012800 /nfs/dbraw/zinc/01/28/00/779012800.db2.gz YIIMOYRURDOYFK-UKRRQHHQSA-N 2 1 313.873 1.909 20 30 DDEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001115116634 779885520 /nfs/dbraw/zinc/88/55/20/779885520.db2.gz ORFDSNPVYOODGA-MLHJIOFPSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001115116634 779885527 /nfs/dbraw/zinc/88/55/27/779885527.db2.gz ORFDSNPVYOODGA-MLHJIOFPSA-N 2 1 311.429 1.359 20 30 DDEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001115116634 779885532 /nfs/dbraw/zinc/88/55/32/779885532.db2.gz ORFDSNPVYOODGA-MLHJIOFPSA-N 2 1 311.429 1.359 20 30 DDEDMP C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001115338544 780051017 /nfs/dbraw/zinc/05/10/17/780051017.db2.gz NCPBTCAZNUYYOR-VQFNDLOPSA-N 2 1 305.466 1.875 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267055179 837262052 /nfs/dbraw/zinc/26/20/52/837262052.db2.gz HIGSZEMFGGMLJS-HOTGVXAUSA-N 2 1 314.433 1.215 20 30 DDEDMP C#CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001267600569 838408131 /nfs/dbraw/zinc/40/81/31/838408131.db2.gz QBFYSGSXJONBKO-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001267600569 838408134 /nfs/dbraw/zinc/40/81/34/838408134.db2.gz QBFYSGSXJONBKO-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001267600569 838408138 /nfs/dbraw/zinc/40/81/38/838408138.db2.gz QBFYSGSXJONBKO-SFHVURJKSA-N 2 1 319.493 1.912 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001267713861 838703436 /nfs/dbraw/zinc/70/34/36/838703436.db2.gz ROHFOOGIEXEEOZ-HOTGVXAUSA-N 2 1 321.465 1.349 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268166328 839781100 /nfs/dbraw/zinc/78/11/00/839781100.db2.gz SAPWNSDWDCVCQM-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268166328 839781115 /nfs/dbraw/zinc/78/11/15/839781115.db2.gz SAPWNSDWDCVCQM-IRXDYDNUSA-N 2 1 323.481 1.644 20 30 DDEDMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001268584288 840487613 /nfs/dbraw/zinc/48/76/13/840487613.db2.gz YFQKNCWIGVDAMZ-NFAHFFEMSA-N 2 1 302.422 1.592 20 30 DDEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC#CCOC ZINC001268776936 840783568 /nfs/dbraw/zinc/78/35/68/840783568.db2.gz RZKUDODCAZPUPF-DLBZAZTESA-N 2 1 323.481 1.243 20 30 DDEDMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001272111254 844621086 /nfs/dbraw/zinc/62/10/86/844621086.db2.gz OYTNKGUJOQSZNF-QGZVFWFLSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001272111254 844621090 /nfs/dbraw/zinc/62/10/90/844621090.db2.gz OYTNKGUJOQSZNF-QGZVFWFLSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CCC[NH+](C)CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001272111254 844621094 /nfs/dbraw/zinc/62/10/94/844621094.db2.gz OYTNKGUJOQSZNF-QGZVFWFLSA-N 2 1 311.445 1.612 20 30 DDEDMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001269761342 842017992 /nfs/dbraw/zinc/01/79/92/842017992.db2.gz ZAKMPBQFEAJGOM-MSOLQXFVSA-N 2 1 319.493 1.960 20 30 DDEDMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269785186 842046024 /nfs/dbraw/zinc/04/60/24/842046024.db2.gz LGYBBAABTVIITR-SJORKVTESA-N 2 1 305.466 1.570 20 30 DDEDMP CC#CC[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC001269951525 842177774 /nfs/dbraw/zinc/17/77/74/842177774.db2.gz YQKPBYIFJLVHPE-KBPBESRZSA-N 2 1 318.421 1.342 20 30 DDEDMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCOCC1 ZINC001270151152 842339284 /nfs/dbraw/zinc/33/92/84/842339284.db2.gz TZICPKNWEZFRSJ-KRWDZBQOSA-N 2 1 321.465 1.093 20 30 DDEDMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001271678340 843777703 /nfs/dbraw/zinc/77/77/03/843777703.db2.gz QMELJMOYBCXOPN-SJORKVTESA-N 2 1 307.482 1.958 20 30 DDEDMP CC#CC[NH+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001328810965 863244808 /nfs/dbraw/zinc/24/48/08/863244808.db2.gz ZWHMXMQNWBGZJW-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001328810965 863244813 /nfs/dbraw/zinc/24/48/13/863244813.db2.gz ZWHMXMQNWBGZJW-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001328810965 863244822 /nfs/dbraw/zinc/24/48/22/863244822.db2.gz ZWHMXMQNWBGZJW-QZTJIDSGSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2cnc(C)n2C1 ZINC001154876982 861533013 /nfs/dbraw/zinc/53/30/13/861533013.db2.gz ZSDSWSVMGWFUPW-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876982 861533024 /nfs/dbraw/zinc/53/30/24/861533024.db2.gz ZSDSWSVMGWFUPW-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001154876982 861533032 /nfs/dbraw/zinc/53/30/32/861533032.db2.gz ZSDSWSVMGWFUPW-ZBFHGGJFSA-N 2 1 316.449 1.604 20 30 DDEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC001409483945 845159858 /nfs/dbraw/zinc/15/98/58/845159858.db2.gz ZUZNJYGEWJOMRR-STQMWFEESA-N 2 1 322.478 1.943 20 30 DDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034238740 848165777 /nfs/dbraw/zinc/16/57/77/848165777.db2.gz MILAEJUYIMITMK-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001034238740 848165778 /nfs/dbraw/zinc/16/57/78/848165778.db2.gz MILAEJUYIMITMK-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP CC#CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001034238740 848165782 /nfs/dbraw/zinc/16/57/82/848165782.db2.gz MILAEJUYIMITMK-QZTJIDSGSA-N 2 1 319.493 1.958 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001273143801 848557141 /nfs/dbraw/zinc/55/71/41/848557141.db2.gz LVITYBCZXCPOOU-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001273143801 848557147 /nfs/dbraw/zinc/55/71/47/848557147.db2.gz LVITYBCZXCPOOU-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143801 848557149 /nfs/dbraw/zinc/55/71/49/848557149.db2.gz LVITYBCZXCPOOU-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001273143801 848557156 /nfs/dbraw/zinc/55/71/56/848557156.db2.gz LVITYBCZXCPOOU-FUHWJXTLSA-N 2 1 303.450 1.418 20 30 DDEDMP C=C(C)CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001149849710 861941006 /nfs/dbraw/zinc/94/10/06/861941006.db2.gz UXYCPINOLJHUHX-IRXDYDNUSA-N 2 1 323.481 1.500 20 30 DDEDMP C=CCCC[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273487328 851018368 /nfs/dbraw/zinc/01/83/68/851018368.db2.gz HALOWOPIPNJYIP-KRWDZBQOSA-N 2 1 307.438 1.355 20 30 DDEDMP C=CCCC[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](CC)CC)C1 ZINC001150469267 862257579 /nfs/dbraw/zinc/25/75/79/862257579.db2.gz DQGVFBWPXNPFDV-INIZCTEOSA-N 2 1 311.470 1.502 20 30 DDEDMP C#CCN1CC[C@@]2(CC[N@@H+](Cc3cc4c[nH+]ccc4[nH]3)C2)C1=O ZINC001274270681 852114626 /nfs/dbraw/zinc/11/46/26/852114626.db2.gz UIKLJPJZTWYTFW-GOSISDBHSA-N 2 1 308.385 1.621 20 30 DDEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC#Cc1ccc(F)cc1 ZINC001155789529 862452157 /nfs/dbraw/zinc/45/21/57/862452157.db2.gz DQYXXSZXKHSXEO-QGZVFWFLSA-N 2 1 317.408 1.367 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)COC ZINC001275685727 853569740 /nfs/dbraw/zinc/56/97/40/853569740.db2.gz UNFZWFYXPGFXRR-HOTGVXAUSA-N 2 1 323.481 1.193 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+][C@@H](C)COC ZINC001275685727 853569743 /nfs/dbraw/zinc/56/97/43/853569743.db2.gz UNFZWFYXPGFXRR-HOTGVXAUSA-N 2 1 323.481 1.193 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)N(C)CC#Cc1ccccc1 ZINC001275897024 853916083 /nfs/dbraw/zinc/91/60/83/853916083.db2.gz GUZGJIXNNBGLOF-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)CC#Cc1ccccc1 ZINC001275897024 853916090 /nfs/dbraw/zinc/91/60/90/853916090.db2.gz GUZGJIXNNBGLOF-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)CC#Cc1ccccc1 ZINC001275897024 853916108 /nfs/dbraw/zinc/91/61/08/853916108.db2.gz GUZGJIXNNBGLOF-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)CC#Cc1ccccc1 ZINC001275897024 853916112 /nfs/dbraw/zinc/91/61/12/853916112.db2.gz GUZGJIXNNBGLOF-SJLPKXTDSA-N 2 1 313.445 1.569 20 30 DDEDMP C#CC[N@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813604 857742846 /nfs/dbraw/zinc/74/28/46/857742846.db2.gz YLTGZQGFXCPBRW-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[N@@H+]1CCC2(CN(C(=O)C[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001072813604 857742854 /nfs/dbraw/zinc/74/28/54/857742854.db2.gz YLTGZQGFXCPBRW-MRXNPFEDSA-N 2 1 303.450 1.417 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(C)C)C2 ZINC001072823534 857760058 /nfs/dbraw/zinc/76/00/58/857760058.db2.gz AOWGTAOOUQBFAF-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(C)C)C2 ZINC001072823534 857760061 /nfs/dbraw/zinc/76/00/61/857760061.db2.gz AOWGTAOOUQBFAF-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)C2 ZINC001072823534 857760064 /nfs/dbraw/zinc/76/00/64/857760064.db2.gz AOWGTAOOUQBFAF-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(C)C)C2 ZINC001072823534 857760067 /nfs/dbraw/zinc/76/00/67/857760067.db2.gz AOWGTAOOUQBFAF-INIZCTEOSA-N 2 1 303.450 1.274 20 30 DDEDMP C=C(C)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCn4ccnc4C3)C2)C1 ZINC001072870275 857824746 /nfs/dbraw/zinc/82/47/46/857824746.db2.gz DDPKEQGWCLOIES-OAHLLOKOSA-N 2 1 314.433 1.556 20 30 DDEDMP CC#CC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001202939286 860417119 /nfs/dbraw/zinc/41/71/19/860417119.db2.gz DSKFMJCKQBROQP-UHFFFAOYSA-N 2 1 302.422 1.576 20 30 DDEDMP CC#CC[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001328588788 863089308 /nfs/dbraw/zinc/08/93/08/863089308.db2.gz LARBYIUXPCQMID-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001328588788 863089324 /nfs/dbraw/zinc/08/93/24/863089324.db2.gz LARBYIUXPCQMID-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP CC#CC[NH+](CC)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001328588788 863089341 /nfs/dbraw/zinc/08/93/41/863089341.db2.gz LARBYIUXPCQMID-GOSISDBHSA-N 2 1 319.493 1.912 20 30 DDEDMP C#CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CC ZINC001328694827 863154107 /nfs/dbraw/zinc/15/41/07/863154107.db2.gz WIQVQXDOVCFGOI-IEBWSBKVSA-N 2 1 313.445 1.723 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ncc(C)s2)CC1 ZINC001152324449 863276737 /nfs/dbraw/zinc/27/67/37/863276737.db2.gz VGXOWIQOHVHDOB-UHFFFAOYSA-N 2 1 320.462 1.003 20 30 DDEDMP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153819247 864132059 /nfs/dbraw/zinc/13/20/59/864132059.db2.gz UGWYQONFWUHIOP-CVEARBPZSA-N 2 1 321.469 1.216 20 30 DDEDMP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001153819247 864132063 /nfs/dbraw/zinc/13/20/63/864132063.db2.gz UGWYQONFWUHIOP-CVEARBPZSA-N 2 1 321.469 1.216 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001330230996 864177073 /nfs/dbraw/zinc/17/70/73/864177073.db2.gz UUWOBMWBRJHJNW-HZPDHXFCSA-N 2 1 307.482 1.957 20 30 DDEDMP C#CCC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C3CCC3)C[C@H]2C1 ZINC001330468996 864375772 /nfs/dbraw/zinc/37/57/72/864375772.db2.gz PXTXTZSXCZJRQW-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001330468996 864375789 /nfs/dbraw/zinc/37/57/89/864375789.db2.gz PXTXTZSXCZJRQW-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001330468996 864375805 /nfs/dbraw/zinc/37/58/05/864375805.db2.gz PXTXTZSXCZJRQW-YESZJQIVSA-N 2 1 317.477 1.711 20 30 DDEDMP C#CCC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332389307 865809082 /nfs/dbraw/zinc/80/90/82/865809082.db2.gz YQATZDNFCIMMCE-CVEARBPZSA-N 2 1 305.466 1.711 20 30 DDEDMP C=CCC[N@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160683505 866019825 /nfs/dbraw/zinc/01/98/25/866019825.db2.gz SSPHFJMNFHYZDG-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C=CCC[N@@H+]1CC=C(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001160683505 866019843 /nfs/dbraw/zinc/01/98/43/866019843.db2.gz SSPHFJMNFHYZDG-UHFFFAOYSA-N 2 1 302.422 1.906 20 30 DDEDMP C=CC[NH2+]C[C@@H](NC(=O)c1cc(C[NH+]2CCCC2)on1)C1CC1 ZINC001323063374 866307926 /nfs/dbraw/zinc/30/79/26/866307926.db2.gz MCCOMORWRVFBPR-MRXNPFEDSA-N 2 1 318.421 1.554 20 30 DDEDMP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001333047711 866370307 /nfs/dbraw/zinc/37/03/07/866370307.db2.gz BKWWPQVVAPKOSK-JCYILVPMSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001333047711 866370322 /nfs/dbraw/zinc/37/03/22/866370322.db2.gz BKWWPQVVAPKOSK-JCYILVPMSA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001320109506 866481042 /nfs/dbraw/zinc/48/10/42/866481042.db2.gz CQWLVXQHUHMZAA-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001320109506 866481044 /nfs/dbraw/zinc/48/10/44/866481044.db2.gz CQWLVXQHUHMZAA-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP C=CCOCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001320109506 866481047 /nfs/dbraw/zinc/48/10/47/866481047.db2.gz CQWLVXQHUHMZAA-DLBZAZTESA-N 2 1 323.481 1.454 20 30 DDEDMP CC#CC[N@@H+]1CC=C(CCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001161390429 866619502 /nfs/dbraw/zinc/61/95/02/866619502.db2.gz FYWDIDXIZLXVII-UHFFFAOYSA-N 2 1 317.477 1.880 20 30 DDEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001320614285 866886568 /nfs/dbraw/zinc/88/65/68/866886568.db2.gz KNIGPCNJSJYWSW-QGZVFWFLSA-N 2 1 315.461 1.864 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001161907922 867089033 /nfs/dbraw/zinc/08/90/33/867089033.db2.gz GHRKQLPQKXYOFM-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)C[NH+]1CC=C(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001161907922 867089035 /nfs/dbraw/zinc/08/90/35/867089035.db2.gz GHRKQLPQKXYOFM-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)C[N@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161907922 867089042 /nfs/dbraw/zinc/08/90/42/867089042.db2.gz GHRKQLPQKXYOFM-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001161907922 867089047 /nfs/dbraw/zinc/08/90/47/867089047.db2.gz GHRKQLPQKXYOFM-QGZVFWFLSA-N 2 1 321.465 1.422 20 30 DDEDMP C#CCN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](CCF)CC1 ZINC001324440968 867279046 /nfs/dbraw/zinc/27/90/46/867279046.db2.gz JUCWQDLPGHHFEU-UHFFFAOYSA-N 2 1 323.456 1.758 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1 ZINC001321155585 867356964 /nfs/dbraw/zinc/35/69/64/867356964.db2.gz ARNRRHCJLHGKBU-IHWYPQMZSA-N 2 1 323.400 1.525 20 30 DDEDMP C[NH+]1CCC(C#N)(Nc2ncc3c(c2C#N)CCC[NH2+]C3)CC1 ZINC001162225751 867357384 /nfs/dbraw/zinc/35/73/84/867357384.db2.gz SMAUUVCJUHSSJJ-UHFFFAOYSA-N 2 1 310.405 1.389 20 30 DDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001325560917 868136962 /nfs/dbraw/zinc/13/69/62/868136962.db2.gz FFROJVTYTFKUFL-CVEARBPZSA-N 2 1 316.449 1.714 20 30 DDEDMP CCO[C@@H](C[NH2+]CCC(=O)Nc1cccc(C#N)c1)C[NH+](C)C ZINC001337871778 869664596 /nfs/dbraw/zinc/66/45/96/869664596.db2.gz JHHRNSYURCSIEF-INIZCTEOSA-N 2 1 318.421 1.443 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317429526 870820349 /nfs/dbraw/zinc/82/03/49/870820349.db2.gz IYLCKWXGLVAUEV-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001317429526 870820336 /nfs/dbraw/zinc/82/03/36/870820336.db2.gz IYLCKWXGLVAUEV-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317429526 870820361 /nfs/dbraw/zinc/82/03/61/870820361.db2.gz IYLCKWXGLVAUEV-YESZJQIVSA-N 2 1 305.466 1.711 20 30 DDEDMP CC#CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001317870619 871608897 /nfs/dbraw/zinc/60/88/97/871608897.db2.gz VENFSNIGWIEDKW-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001317870619 871608908 /nfs/dbraw/zinc/60/89/08/871608908.db2.gz VENFSNIGWIEDKW-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP CC#CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001317870619 871608923 /nfs/dbraw/zinc/60/89/23/871608923.db2.gz VENFSNIGWIEDKW-ZWKOTPCHSA-N 2 1 319.493 1.910 20 30 DDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001316758338 871828024 /nfs/dbraw/zinc/82/80/24/871828024.db2.gz ABKMRFODQFWLCN-SJORKVTESA-N 2 1 305.466 1.522 20 30 DDEDMP CC#CC[NH2+]CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001206288287 872186366 /nfs/dbraw/zinc/18/63/66/872186366.db2.gz OOCHVHRMOVLHDV-UHFFFAOYSA-N 2 1 305.466 1.570 20 30 DDEDMP C=CC[NH2+]C[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001319247598 872517542 /nfs/dbraw/zinc/51/75/42/872517542.db2.gz XRJGREKEQYZYQW-CYBMUJFWSA-N 2 1 306.410 1.412 20 30 DDEDMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccccc1C#N ZINC001378120508 874187390 /nfs/dbraw/zinc/18/73/90/874187390.db2.gz GSQUMGUTCBRUBE-AWEZNQCLSA-N 2 1 302.422 1.446 20 30 DDEDMP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1ccccc1C#N ZINC001378120508 874187393 /nfs/dbraw/zinc/18/73/93/874187393.db2.gz GSQUMGUTCBRUBE-AWEZNQCLSA-N 2 1 302.422 1.446 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001209242635 874753057 /nfs/dbraw/zinc/75/30/57/874753057.db2.gz NSIRIRSYNQVSDW-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCCC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001209242635 874753062 /nfs/dbraw/zinc/75/30/62/874753062.db2.gz NSIRIRSYNQVSDW-DLBZAZTESA-N 2 1 323.481 1.642 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209642038 875031369 /nfs/dbraw/zinc/03/13/69/875031369.db2.gz LITHNRAGNQWLPE-HZPDHXFCSA-N 2 1 309.454 1.111 20 30 DDEDMP Cc1nc(Nc2cc[nH+]c(N3CC[NH2+]CC3)c2)c(C#N)cc1C#N ZINC001210262854 875296525 /nfs/dbraw/zinc/29/65/25/875296525.db2.gz SDAHUEKQGTYURV-UHFFFAOYSA-N 2 1 319.372 1.682 20 30 DDEDMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001276712645 876392813 /nfs/dbraw/zinc/39/28/13/876392813.db2.gz YUGXAZJBMYGPTI-ZWKOTPCHSA-N 2 1 313.445 1.797 20 30 DDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC001353109006 877125034 /nfs/dbraw/zinc/12/50/34/877125034.db2.gz JMENFKYIZYVJPZ-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC001353109006 877125044 /nfs/dbraw/zinc/12/50/44/877125044.db2.gz JMENFKYIZYVJPZ-JKSUJKDBSA-N 2 1 306.454 1.210 20 30 DDEDMP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379596352 877475012 /nfs/dbraw/zinc/47/50/12/877475012.db2.gz FDBJFEYGVCSMFZ-GXTWGEPZSA-N 2 1 318.396 1.243 20 30 DDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CCCO1 ZINC001200634226 877902863 /nfs/dbraw/zinc/90/28/63/877902863.db2.gz BOEXLZQQXSMKGS-IAGOWNOFSA-N 2 1 323.481 1.644 20 30 DDEDMP C#C[C@](C)([NH3+])C(=O)Nc1cccc(F)c1OC1CC[NH2+]CC1 ZINC001219302923 878102685 /nfs/dbraw/zinc/10/26/85/878102685.db2.gz BIKMGFUJUUGKBZ-INIZCTEOSA-N 2 1 305.353 1.246 20 30 DDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](O)C1 ZINC001219796713 878515968 /nfs/dbraw/zinc/51/59/68/878515968.db2.gz MXXLQTXSRLDXGP-BBWFWOEESA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796713 878515977 /nfs/dbraw/zinc/51/59/77/878515977.db2.gz MXXLQTXSRLDXGP-BBWFWOEESA-N 2 1 323.481 1.377 20 30 DDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](O)C1 ZINC001219796713 878515990 /nfs/dbraw/zinc/51/59/90/878515990.db2.gz MXXLQTXSRLDXGP-BBWFWOEESA-N 2 1 323.481 1.377 20 30 DDEDMP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001380169160 878958114 /nfs/dbraw/zinc/95/81/14/878958114.db2.gz LJRKIZJGUREAMI-MRXNPFEDSA-N 2 1 312.417 1.248 20 30 DDEDMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3ccccc3C#N)CC2)C1 ZINC001380169160 878958122 /nfs/dbraw/zinc/95/81/22/878958122.db2.gz LJRKIZJGUREAMI-MRXNPFEDSA-N 2 1 312.417 1.248 20 30 DDEDMP N#Cc1cc(F)c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c(F)c1 ZINC001222104273 880256098 /nfs/dbraw/zinc/25/60/98/880256098.db2.gz CRVOMAHJEZYESL-UHFFFAOYSA-N 2 1 306.360 1.364 20 30 DDEDMP N#Cc1cccc2c(CN3CC[NH2+][C@H]4CC[NH2+]CC[C@@H]43)c[nH]c21 ZINC001222497294 880508855 /nfs/dbraw/zinc/50/88/55/880508855.db2.gz BEKXOQNQSCQEFN-IRXDYDNUSA-N 2 1 309.417 1.565 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001230215370 884377055 /nfs/dbraw/zinc/37/70/55/884377055.db2.gz OCUWFEGIWMOXCQ-BRWVUGGUSA-N 2 1 323.481 1.690 20 30 DDEDMP C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001230215370 884377066 /nfs/dbraw/zinc/37/70/66/884377066.db2.gz OCUWFEGIWMOXCQ-BRWVUGGUSA-N 2 1 323.481 1.690 20 30 DDEDMP C=CCOc1cccc(C[NH+]2CCN(CC[NH+](C)C)CC2)c1 ZINC001231621220 885766307 /nfs/dbraw/zinc/76/63/07/885766307.db2.gz UIXIOSYPVVWBRF-UHFFFAOYSA-N 2 1 303.450 1.931 20 30 DDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001277785788 887041523 /nfs/dbraw/zinc/04/15/23/887041523.db2.gz OKTCHTRHVPYWJA-GDBMZVCRSA-N 2 1 320.437 1.363 20 30 DDEDMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001278425585 892326927 /nfs/dbraw/zinc/32/69/27/892326927.db2.gz BFFMJQNUPXGVQG-WMZOPIPTSA-N 2 1 305.466 1.855 20 30 DDEDMP CC#CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001278425585 892326948 /nfs/dbraw/zinc/32/69/48/892326948.db2.gz BFFMJQNUPXGVQG-WMZOPIPTSA-N 2 1 305.466 1.855 20 30 DDEDMP C=C[C@@](C)(O)C[NH2+]CCCC[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001246012309 892329160 /nfs/dbraw/zinc/32/91/60/892329160.db2.gz MXGQUXGOMRMZDL-SJLPKXTDSA-N 2 1 320.433 1.754 20 30 DDEDMP C=CCOC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246313048 892532476 /nfs/dbraw/zinc/53/24/76/892532476.db2.gz RCGVDXYLMOIWTG-CVEARBPZSA-N 3 1 323.481 1.725 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)CC2)cc1 ZINC001246870944 892959929 /nfs/dbraw/zinc/95/99/29/892959929.db2.gz QBIFFLOHDMKQMJ-CRAIPNDOSA-N 2 1 310.401 1.196 20 30 DDEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3C[C@H]4C[C@@]4([NH3+])C3)CC2)cc1 ZINC001246870944 892959938 /nfs/dbraw/zinc/95/99/38/892959938.db2.gz QBIFFLOHDMKQMJ-CRAIPNDOSA-N 2 1 310.401 1.196 20 30 DDEDMP C=CCOCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001278550284 894192548 /nfs/dbraw/zinc/19/25/48/894192548.db2.gz OJBYQKWJXGFLJC-SJLPKXTDSA-N 2 1 323.481 1.359 20 30 DDEDMP C#CCOC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001251840626 894835602 /nfs/dbraw/zinc/83/56/02/894835602.db2.gz RMXAQBHBURLJKX-QGZVFWFLSA-N 2 1 306.450 1.338 20 30 DDEDMP C#CCOC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001251840626 894835615 /nfs/dbraw/zinc/83/56/15/894835615.db2.gz RMXAQBHBURLJKX-QGZVFWFLSA-N 2 1 306.450 1.338 20 30 DDEDMP C#CCOC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001251852009 894848149 /nfs/dbraw/zinc/84/81/49/894848149.db2.gz YADPQSCYNJTNSR-RTBURBONSA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001251852009 894848162 /nfs/dbraw/zinc/84/81/62/894848162.db2.gz YADPQSCYNJTNSR-RTBURBONSA-N 2 1 316.445 1.451 20 30 DDEDMP C#CCOC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001251852009 894848175 /nfs/dbraw/zinc/84/81/75/894848175.db2.gz YADPQSCYNJTNSR-RTBURBONSA-N 2 1 316.445 1.451 20 30 DDEDMP C=CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001278768304 896301209 /nfs/dbraw/zinc/30/12/09/896301209.db2.gz TXJFCUYIQVJKSB-IRXDYDNUSA-N 2 1 323.481 1.378 20 30 DDEDMP C=CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001278878882 897082256 /nfs/dbraw/zinc/08/22/56/897082256.db2.gz WAYXLZXROVBBQF-JKSUJKDBSA-N 2 1 311.470 1.186 20 30 DDEDMP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001278878882 897082268 /nfs/dbraw/zinc/08/22/68/897082268.db2.gz WAYXLZXROVBBQF-JKSUJKDBSA-N 2 1 311.470 1.186 20 30 DDEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001278878882 897082280 /nfs/dbraw/zinc/08/22/80/897082280.db2.gz WAYXLZXROVBBQF-JKSUJKDBSA-N 2 1 311.470 1.186 20 30 DDEDMP C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367771887 897734947 /nfs/dbraw/zinc/73/49/47/897734947.db2.gz MLASPHYNKLVVNI-SWLSCSKDSA-N 2 1 318.396 1.243 20 30 DDEDMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001390696016 899961832 /nfs/dbraw/zinc/96/18/32/899961832.db2.gz UHNPLPPOYOLITO-JSGCOSHPSA-N 2 1 324.856 1.991 20 30 DDEDMP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001264579195 901188096 /nfs/dbraw/zinc/18/80/96/901188096.db2.gz NSYZKHRTKKWQFR-IAGOWNOFSA-N 2 1 307.482 1.958 20 30 DDEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265546896 902119935 /nfs/dbraw/zinc/11/99/35/902119935.db2.gz ZYNWUNFFCHTNHA-MELADBBJSA-N 2 1 320.437 1.941 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001265707834 902327722 /nfs/dbraw/zinc/32/77/22/902327722.db2.gz GJVDPZJXEWGWLD-IRXDYDNUSA-N 2 1 305.466 1.712 20 30 DDEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC001370021626 902404109 /nfs/dbraw/zinc/40/41/09/902404109.db2.gz WBFYELVKQZBAFD-INIZCTEOSA-N 2 1 300.406 1.200 20 30 DDEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001265918203 902592839 /nfs/dbraw/zinc/59/28/39/902592839.db2.gz FYAYHRPTBNDJRU-SFHVURJKSA-N 2 1 322.412 1.434 20 30 DDEDMP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001279156380 903186063 /nfs/dbraw/zinc/18/60/63/903186063.db2.gz PNUPQEFKKHAPCN-CVEARBPZSA-N 2 1 305.466 1.568 20 30 DDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)CC[NH+]1CCCCC1)CO2 ZINC001280977774 904262411 /nfs/dbraw/zinc/26/24/11/904262411.db2.gz CICAPZZHZVYXEW-INIZCTEOSA-N 2 1 321.465 1.398 20 30 DDEDMP C=CCOCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001282013249 905405408 /nfs/dbraw/zinc/40/54/08/905405408.db2.gz CDDTYPRHVKNLAS-GPANFISMSA-N 2 1 309.454 1.158 20 30 DDEDMP C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001394008039 908521102 /nfs/dbraw/zinc/52/11/02/908521102.db2.gz ZJWCHHBXXJJFTC-RYUDHWBXSA-N 2 1 320.275 1.720 20 30 DDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC=C)C(C)(C)C1 ZINC001284292278 908783240 /nfs/dbraw/zinc/78/32/40/908783240.db2.gz QOXQPMGRZHANLH-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC=C)C(C)(C)C1 ZINC001284292278 908783252 /nfs/dbraw/zinc/78/32/52/908783252.db2.gz QOXQPMGRZHANLH-DLBZAZTESA-N 2 1 317.477 1.877 20 30 DDEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001376154017 917826871 /nfs/dbraw/zinc/82/68/71/917826871.db2.gz XLABNUCKFOJBJM-IRXDYDNUSA-N 2 1 314.433 1.589 20 30 DDEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1)[NH+](C)C ZINC001376154017 917826887 /nfs/dbraw/zinc/82/68/87/917826887.db2.gz XLABNUCKFOJBJM-IRXDYDNUSA-N 2 1 314.433 1.589 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)N(CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000329534773 539305386 /nfs/dbraw/zinc/30/53/86/539305386.db2.gz YVFJYKRZKQJJLN-HUUCEWRRSA-N 2 1 322.453 1.122 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)NCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000329534773 539305387 /nfs/dbraw/zinc/30/53/87/539305387.db2.gz YVFJYKRZKQJJLN-HUUCEWRRSA-N 2 1 322.453 1.122 20 30 DDEDMP C[NH+]1CCC[C@@H]1C(=O)NCCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC000329534773 539305389 /nfs/dbraw/zinc/30/53/89/539305389.db2.gz YVFJYKRZKQJJLN-HUUCEWRRSA-N 2 1 322.453 1.122 20 30 DDEDMP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000047977095 352518386 /nfs/dbraw/zinc/51/83/86/352518386.db2.gz MGCHVEVCOWRSDT-GOSISDBHSA-N 2 1 320.481 1.849 20 30 DDEDMP Cc1nnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C#N)c1C ZINC000596359560 356863567 /nfs/dbraw/zinc/86/35/67/356863567.db2.gz CQCZGTBOTBLAGQ-LBPRGKRZSA-N 2 1 304.442 1.649 20 30 DDEDMP Cc1nnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C#N)c1C ZINC000596359560 356863571 /nfs/dbraw/zinc/86/35/71/356863571.db2.gz CQCZGTBOTBLAGQ-LBPRGKRZSA-N 2 1 304.442 1.649 20 30 DDEDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000600720639 358295355 /nfs/dbraw/zinc/29/53/55/358295355.db2.gz ILKDTWFJUJNBCT-IAGOWNOFSA-N 2 1 323.481 1.768 20 30 DDEDMP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877839 359261237 /nfs/dbraw/zinc/26/12/37/359261237.db2.gz SNBYNAVBXMMOAV-INIZCTEOSA-N 2 1 306.454 1.459 20 30 DDEDMP C[C@H](NC(=O)NC[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C[NH+](C)C ZINC000330989793 223161466 /nfs/dbraw/zinc/16/14/66/223161466.db2.gz SAQHYQUWJGOOPU-UONOGXRCSA-N 2 1 321.469 1.925 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120462061 781960191 /nfs/dbraw/zinc/96/01/91/781960191.db2.gz VECNYQMQMJFVNR-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[NH+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001120462061 781960183 /nfs/dbraw/zinc/96/01/83/781960183.db2.gz VECNYQMQMJFVNR-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001120462061 781960197 /nfs/dbraw/zinc/96/01/97/781960197.db2.gz VECNYQMQMJFVNR-DLBZAZTESA-N 2 1 305.466 1.664 20 30 DDEDMP CC[C@H](C)[N@@H+](C)CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000104191528 407349235 /nfs/dbraw/zinc/34/92/35/407349235.db2.gz FVSBVOLWUAUERP-ZDUSSCGKSA-N 2 1 322.453 1.838 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@](C)(O)c1cccs1 ZINC000267430299 407844020 /nfs/dbraw/zinc/84/40/20/407844020.db2.gz MIZLIIDDWWXKHU-IUODEOHRSA-N 2 1 310.467 1.344 20 30 DDEDMP CCCCNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272985778 408020905 /nfs/dbraw/zinc/02/09/05/408020905.db2.gz RZCJCGJTQNVWPA-MRXNPFEDSA-N 2 1 304.438 1.458 20 30 DDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158995499 408376700 /nfs/dbraw/zinc/37/67/00/408376700.db2.gz BDDKABPONCFQPF-BVIKNXMNSA-N 2 1 320.481 1.845 20 30 DDEDMP Cn1cncc1CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000177242353 408561430 /nfs/dbraw/zinc/56/14/30/408561430.db2.gz AXEFQNJTWZEIRZ-UHFFFAOYSA-N 2 1 309.417 2.000 20 30 DDEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277485837 408949829 /nfs/dbraw/zinc/94/98/29/408949829.db2.gz UPFUHTLEXVCJFJ-AWEZNQCLSA-N 2 1 320.437 1.923 20 30 DDEDMP C[C@H]1Oc2ccccc2[C@@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000288641207 409172353 /nfs/dbraw/zinc/17/23/53/409172353.db2.gz CSDYZJKEZGQZJU-CZUORRHYSA-N 2 1 318.421 1.135 20 30 DDEDMP Cc1[nH+]ccn1CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000328802775 409981020 /nfs/dbraw/zinc/98/10/20/409981020.db2.gz GVQGYHFWTMYYIH-INIZCTEOSA-N 2 1 319.453 1.769 20 30 DDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)CC1 ZINC000328832596 409987888 /nfs/dbraw/zinc/98/78/88/409987888.db2.gz LKGXRXZDHVZMIG-SJORKVTESA-N 2 1 318.465 1.555 20 30 DDEDMP C[NH+](CC#CC[N@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000357627170 410147190 /nfs/dbraw/zinc/14/71/90/410147190.db2.gz ACBKTOKYTLWHMR-UHFFFAOYSA-N 2 1 308.466 1.707 20 30 DDEDMP CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC000329744900 410430430 /nfs/dbraw/zinc/43/04/30/410430430.db2.gz YCQSNJMLNCIXJP-FRRDWIJNSA-N 2 1 305.426 1.596 20 30 DDEDMP CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH]cnc3C2)C[C@H]1C ZINC000329744900 410430436 /nfs/dbraw/zinc/43/04/36/410430436.db2.gz YCQSNJMLNCIXJP-FRRDWIJNSA-N 2 1 305.426 1.596 20 30 DDEDMP CCN1CCC([N@@H+](CCC(=O)N(C)CCC#N)C2CC2)CC1 ZINC000374984159 418584775 /nfs/dbraw/zinc/58/47/75/418584775.db2.gz WSQZPWAVUPWOPI-UHFFFAOYSA-N 2 1 306.454 1.697 20 30 DDEDMP CC[NH+]1CCC([N@H+](CCC(=O)N(C)CCC#N)C2CC2)CC1 ZINC000374984159 418584776 /nfs/dbraw/zinc/58/47/76/418584776.db2.gz WSQZPWAVUPWOPI-UHFFFAOYSA-N 2 1 306.454 1.697 20 30 DDEDMP CC[NH+]1CCC([N@@H+](CCC(=O)N(C)CCC#N)C2CC2)CC1 ZINC000374984159 418584779 /nfs/dbraw/zinc/58/47/79/418584779.db2.gz WSQZPWAVUPWOPI-UHFFFAOYSA-N 2 1 306.454 1.697 20 30 DDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000246328226 222221401 /nfs/dbraw/zinc/22/14/01/222221401.db2.gz OIJTWKRKWDBGBS-CVEARBPZSA-N 2 1 306.454 1.515 20 30 DDEDMP Cc1ccc([C@H](CNC(=[NH2+])N2CCOCC2)[NH+]2CCCC2)o1 ZINC000261994597 222267619 /nfs/dbraw/zinc/26/76/19/222267619.db2.gz NIXGJIKXVJYHAT-AWEZNQCLSA-N 2 1 306.410 1.372 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCSC(C)(C)C1 ZINC000261656389 222252382 /nfs/dbraw/zinc/25/23/82/222252382.db2.gz BJBADROLXIWBPW-ZDUSSCGKSA-N 2 1 310.511 1.874 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(c2cccs2)CC1 ZINC000261667687 222253888 /nfs/dbraw/zinc/25/38/88/222253888.db2.gz BQKJESZMOPQWDP-AWEZNQCLSA-N 2 1 321.494 1.540 20 30 DDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NC[C@@](C)(O)c1cccs1 ZINC000261758198 222256460 /nfs/dbraw/zinc/25/64/60/222256460.db2.gz OATCQFLRPUNZBZ-SWLSCSKDSA-N 2 1 310.467 1.072 20 30 DDEDMP CC[NH+]=C(NCc1cnc(C)s1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261792671 222257924 /nfs/dbraw/zinc/25/79/24/222257924.db2.gz QOEDZMYVPYENEP-ABAIWWIYSA-N 2 1 321.494 1.989 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCS[C@@H](C(C)C)C1 ZINC000261780407 222257956 /nfs/dbraw/zinc/25/79/56/222257956.db2.gz PGPSOEFXHJEMHU-CQSZACIVSA-N 2 1 300.516 1.975 20 30 DDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)CCc1cccs1 ZINC000261812737 222258516 /nfs/dbraw/zinc/25/85/16/222258516.db2.gz SSICFXHXEYEELA-CQSZACIVSA-N 2 1 323.510 1.044 20 30 DDEDMP C[NH+]=C(NCC[N@H+](C)C1CC1)N1CCN(c2cccs2)CC1 ZINC000261949374 222263753 /nfs/dbraw/zinc/26/37/53/222263753.db2.gz GWTNDTNOHACMIL-UHFFFAOYSA-N 2 1 321.494 1.540 20 30 DDEDMP C[NH+]=C(NCC[N@@H+](C)C1CC1)N1CCN(c2cccs2)CC1 ZINC000261949374 222263755 /nfs/dbraw/zinc/26/37/55/222263755.db2.gz GWTNDTNOHACMIL-UHFFFAOYSA-N 2 1 321.494 1.540 20 30 DDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn2cc(C)ccc2n1 ZINC000264125978 222322370 /nfs/dbraw/zinc/32/23/70/222322370.db2.gz WLYMYVCGLFAYPU-OAHLLOKOSA-N 2 1 314.437 1.531 20 30 DDEDMP COc1ccc([C@H](CNC(=[NH2+])NC2CC2)[NH+]2CCCC2)cc1 ZINC000264153384 222326489 /nfs/dbraw/zinc/32/64/89/222326489.db2.gz ZXWZWMWIWXNMFV-INIZCTEOSA-N 2 1 302.422 1.899 20 30 DDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1cccn1C ZINC000262001930 222269604 /nfs/dbraw/zinc/26/96/04/222269604.db2.gz UOUQWEGCUWQVJA-INIZCTEOSA-N 2 1 323.510 1.470 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1Cc2ccccc2O1 ZINC000262002063 222269799 /nfs/dbraw/zinc/26/97/99/222269799.db2.gz QAFPQQJJDJKCLK-LSDHHAIUSA-N 2 1 302.422 1.379 20 30 DDEDMP CC[N@@H+]1CCO[C@H](CN2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000377934015 418717579 /nfs/dbraw/zinc/71/75/79/418717579.db2.gz ZDLMHKIJAISYLB-KRWDZBQOSA-N 2 1 322.497 1.655 20 30 DDEDMP CC[N@H+]1CCO[C@H](CN2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000377934015 418717582 /nfs/dbraw/zinc/71/75/82/418717582.db2.gz ZDLMHKIJAISYLB-KRWDZBQOSA-N 2 1 322.497 1.655 20 30 DDEDMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C#N)C2 ZINC000368844917 418725939 /nfs/dbraw/zinc/72/59/39/418725939.db2.gz JMSKHYNEZMFYDZ-HIFRSBDPSA-N 2 1 323.400 1.995 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000429263183 419992940 /nfs/dbraw/zinc/99/29/40/419992940.db2.gz WYPIOEYWIANMGC-OAHLLOKOSA-N 2 1 319.453 1.918 20 30 DDEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000429263183 419992943 /nfs/dbraw/zinc/99/29/43/419992943.db2.gz WYPIOEYWIANMGC-OAHLLOKOSA-N 2 1 319.453 1.918 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000491340758 421196125 /nfs/dbraw/zinc/19/61/25/421196125.db2.gz ZYVVCNLUEYVWFL-HNNXBMFYSA-N 2 1 308.470 1.313 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000491748709 421202367 /nfs/dbraw/zinc/20/23/67/421202367.db2.gz YJKYRSYRSFKBOZ-QGZVFWFLSA-N 2 1 306.454 1.069 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000491748709 421202370 /nfs/dbraw/zinc/20/23/70/421202370.db2.gz YJKYRSYRSFKBOZ-QGZVFWFLSA-N 2 1 306.454 1.069 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000491748709 421202371 /nfs/dbraw/zinc/20/23/71/421202371.db2.gz YJKYRSYRSFKBOZ-QGZVFWFLSA-N 2 1 306.454 1.069 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000491812549 421203285 /nfs/dbraw/zinc/20/32/85/421203285.db2.gz IEMCMRNVTKDDFF-UHFFFAOYSA-N 2 1 308.470 1.553 20 30 DDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530230218 421588631 /nfs/dbraw/zinc/58/86/31/421588631.db2.gz FTALVTCRSYLHOL-QGZVFWFLSA-N 2 1 315.417 1.538 20 30 DDEDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000580948039 421868594 /nfs/dbraw/zinc/86/85/94/421868594.db2.gz XHPHEHITUYNAHE-IAGOWNOFSA-N 2 1 317.433 1.619 20 30 DDEDMP C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000583929397 422219173 /nfs/dbraw/zinc/21/91/73/422219173.db2.gz HAHCLYZAFVRYAE-INIZCTEOSA-N 2 1 303.406 1.176 20 30 DDEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCC[NH2+]1 ZINC000662668704 424729435 /nfs/dbraw/zinc/72/94/35/424729435.db2.gz PUEXHTOEHOOAOM-NVXWUHKLSA-N 2 1 309.454 1.158 20 30 DDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nc(C#N)cs1 ZINC000356293711 266148024 /nfs/dbraw/zinc/14/80/24/266148024.db2.gz FKADODGQOCVHJE-HNNXBMFYSA-N 2 1 321.494 1.863 20 30 DDEDMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398663 267052175 /nfs/dbraw/zinc/05/21/75/267052175.db2.gz UVWSZTBDEDAVOO-RDJZCZTQSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398663 267052178 /nfs/dbraw/zinc/05/21/78/267052178.db2.gz UVWSZTBDEDAVOO-RDJZCZTQSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398663 267052181 /nfs/dbraw/zinc/05/21/81/267052181.db2.gz UVWSZTBDEDAVOO-RDJZCZTQSA-N 2 1 317.433 1.572 20 30 DDEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C#N)C1 ZINC000528398663 267052184 /nfs/dbraw/zinc/05/21/84/267052184.db2.gz UVWSZTBDEDAVOO-RDJZCZTQSA-N 2 1 317.433 1.572 20 30 DDEDMP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366889801 279213821 /nfs/dbraw/zinc/21/38/21/279213821.db2.gz YFWQKMUOEATNPM-INIZCTEOSA-N 2 1 320.481 1.802 20 30 DDEDMP N#CCNC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310033303 333216307 /nfs/dbraw/zinc/21/63/07/333216307.db2.gz YZDPGZPYIFZAKO-SJORKVTESA-N 2 1 312.417 1.080 20 30 DDEDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2(C#N)CCC2)CC1 ZINC000527049252 336281358 /nfs/dbraw/zinc/28/13/58/336281358.db2.gz OBIMSCWSKBEJFZ-HNNXBMFYSA-N 2 1 320.481 1.990 20 30 DDEDMP C=CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)COC ZINC000661243838 484996025 /nfs/dbraw/zinc/99/60/25/484996025.db2.gz OITYSUPJHMYVJJ-OAHLLOKOSA-N 2 1 311.470 1.498 20 30 DDEDMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)COC ZINC000661243838 484996029 /nfs/dbraw/zinc/99/60/29/484996029.db2.gz OITYSUPJHMYVJJ-OAHLLOKOSA-N 2 1 311.470 1.498 20 30 DDEDMP C=C(C)[C@@H](CO)[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000671707628 485172947 /nfs/dbraw/zinc/17/29/47/485172947.db2.gz CEFUGNIAABEJGE-LJQANCHMSA-N 2 1 317.477 1.673 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000491731842 526811207 /nfs/dbraw/zinc/81/12/07/526811207.db2.gz LBYZFMHUDKRGPA-QGZVFWFLSA-N 2 1 320.481 1.315 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000491731842 526811210 /nfs/dbraw/zinc/81/12/10/526811210.db2.gz LBYZFMHUDKRGPA-QGZVFWFLSA-N 2 1 320.481 1.315 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000491731842 526811216 /nfs/dbraw/zinc/81/12/16/526811216.db2.gz LBYZFMHUDKRGPA-QGZVFWFLSA-N 2 1 320.481 1.315 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000491297254 526812099 /nfs/dbraw/zinc/81/20/99/526812099.db2.gz PMBVNJGBLJXXDT-HOTGVXAUSA-N 2 1 306.454 1.210 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000491348003 526821190 /nfs/dbraw/zinc/82/11/90/526821190.db2.gz BFNQMQMDYJVYJH-MRXNPFEDSA-N 2 1 313.445 1.505 20 30 DDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000491348003 526821194 /nfs/dbraw/zinc/82/11/94/526821194.db2.gz BFNQMQMDYJVYJH-MRXNPFEDSA-N 2 1 313.445 1.505 20 30 DDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000491348003 526821197 /nfs/dbraw/zinc/82/11/97/526821197.db2.gz BFNQMQMDYJVYJH-MRXNPFEDSA-N 2 1 313.445 1.505 20 30 DDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000491348003 526821202 /nfs/dbraw/zinc/82/12/02/526821202.db2.gz BFNQMQMDYJVYJH-MRXNPFEDSA-N 2 1 313.445 1.505 20 30 DDEDMP C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347062708 526931407 /nfs/dbraw/zinc/93/14/07/526931407.db2.gz BXFQVCSOHKCDLL-MRXNPFEDSA-N 2 1 317.433 1.538 20 30 DDEDMP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000980235834 696715112 /nfs/dbraw/zinc/71/51/12/696715112.db2.gz ADFDWQQGLVUYGO-GVDBMIGSSA-N 2 1 305.466 1.875 20 30 DDEDMP C#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C(C)(C)C1 ZINC000974655732 695704921 /nfs/dbraw/zinc/70/49/21/695704921.db2.gz YAYSTBCLZBUXIZ-JKSUJKDBSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655732 695704923 /nfs/dbraw/zinc/70/49/23/695704923.db2.gz YAYSTBCLZBUXIZ-JKSUJKDBSA-N 2 1 305.466 1.424 20 30 DDEDMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000974655732 695704925 /nfs/dbraw/zinc/70/49/25/695704925.db2.gz YAYSTBCLZBUXIZ-JKSUJKDBSA-N 2 1 305.466 1.424 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC000978148170 696331800 /nfs/dbraw/zinc/33/18/00/696331800.db2.gz PLHCOFVUAQYACX-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC000978148170 696331802 /nfs/dbraw/zinc/33/18/02/696331802.db2.gz PLHCOFVUAQYACX-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC000978148170 696331804 /nfs/dbraw/zinc/33/18/04/696331804.db2.gz PLHCOFVUAQYACX-NXOAAHMSSA-N 2 1 303.450 1.177 20 30 DDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC000978422971 696380264 /nfs/dbraw/zinc/38/02/64/696380264.db2.gz ZXSMUBAYILZKCA-NNZMDNLPSA-N 2 1 322.412 1.574 20 30 DDEDMP C#CC[NH+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)C2)C1 ZINC000981767277 696908453 /nfs/dbraw/zinc/90/84/53/696908453.db2.gz LFQHWFAJHGBTLV-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767277 696908456 /nfs/dbraw/zinc/90/84/56/696908456.db2.gz LFQHWFAJHGBTLV-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@H]4CCCC[NH+]4C3)C2)C1 ZINC000981767277 696908460 /nfs/dbraw/zinc/90/84/60/696908460.db2.gz LFQHWFAJHGBTLV-DLBZAZTESA-N 2 1 315.461 1.418 20 30 DDEDMP C=CC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C2)C1 ZINC000981962954 696987425 /nfs/dbraw/zinc/98/74/25/696987425.db2.gz CDZWPSCDEZBMMQ-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000981962954 696987426 /nfs/dbraw/zinc/98/74/26/696987426.db2.gz CDZWPSCDEZBMMQ-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C2)C1 ZINC000981962954 696987428 /nfs/dbraw/zinc/98/74/28/696987428.db2.gz CDZWPSCDEZBMMQ-INIZCTEOSA-N 2 1 321.465 1.206 20 30 DDEDMP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)C1 ZINC000982013227 697003187 /nfs/dbraw/zinc/00/31/87/697003187.db2.gz OSICYXHPBPWYGA-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013227 697003189 /nfs/dbraw/zinc/00/31/89/697003189.db2.gz OSICYXHPBPWYGA-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)C2)C1 ZINC000982013227 697003191 /nfs/dbraw/zinc/00/31/91/697003191.db2.gz OSICYXHPBPWYGA-HZPDHXFCSA-N 2 1 303.450 1.132 20 30 DDEDMP C#CCC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298080 697086857 /nfs/dbraw/zinc/08/68/57/697086857.db2.gz ZMDMRKFLKRAZSK-KDURUIRLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298080 697086860 /nfs/dbraw/zinc/08/68/60/697086860.db2.gz ZMDMRKFLKRAZSK-KDURUIRLSA-N 2 1 317.477 1.664 20 30 DDEDMP C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC000982298080 697086862 /nfs/dbraw/zinc/08/68/62/697086862.db2.gz ZMDMRKFLKRAZSK-KDURUIRLSA-N 2 1 317.477 1.664 20 30 DDEDMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@]2(C)C1 ZINC000982724472 697173028 /nfs/dbraw/zinc/17/30/28/697173028.db2.gz DACZYXJHXVRMFL-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982724472 697173029 /nfs/dbraw/zinc/17/30/29/697173029.db2.gz DACZYXJHXVRMFL-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H]3CC[NH+](C)C3)C[C@@]2(C)C1 ZINC000982724472 697173030 /nfs/dbraw/zinc/17/30/30/697173030.db2.gz DACZYXJHXVRMFL-NXHRZFHOSA-N 2 1 305.466 1.685 20 30 DDEDMP C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)C34CC[NH+](CC3)C4)C[C@@]2(C)C1 ZINC000982740355 697175040 /nfs/dbraw/zinc/17/50/40/697175040.db2.gz IFACTERWKZGYBY-HDICACEKSA-N 2 1 317.477 1.829 20 30 DDEDMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@H]12 ZINC000990691325 699133872 /nfs/dbraw/zinc/13/38/72/699133872.db2.gz USUZARVHEIMNIW-XYJFISCASA-N 2 1 301.434 1.075 20 30 DDEDMP C=CCN1CCN(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000840005707 701906979 /nfs/dbraw/zinc/90/69/79/701906979.db2.gz ZTYONQUJJPLDDV-UHFFFAOYSA-N 2 1 308.470 1.920 20 30 DDEDMP C=C[C@@H](C)ONC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000845631107 703184540 /nfs/dbraw/zinc/18/45/40/703184540.db2.gz PFGODRATHIVSIC-HUUCEWRRSA-N 2 1 312.458 1.550 20 30 DDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000847257179 703391641 /nfs/dbraw/zinc/39/16/41/703391641.db2.gz VDNNQOHVNAOZIY-IAGOWNOFSA-N 2 1 303.450 1.465 20 30 DDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CCCO1 ZINC000819264658 704096933 /nfs/dbraw/zinc/09/69/33/704096933.db2.gz AOFYOIOSMRUXFG-CRAIPNDOSA-N 2 1 317.433 1.682 20 30 DDEDMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852859593 704151059 /nfs/dbraw/zinc/15/10/59/704151059.db2.gz XOLUVKMQSHZULP-INIZCTEOSA-N 2 1 305.466 1.618 20 30 DDEDMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884400 704160148 /nfs/dbraw/zinc/16/01/48/704160148.db2.gz XMZHSKRDYYNVLR-UHFFFAOYSA-N 2 1 305.466 1.712 20 30 DDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000876902267 705916064 /nfs/dbraw/zinc/91/60/64/705916064.db2.gz LOMXXAQNQPEGRE-QEJZJMRPSA-N 2 1 311.857 1.932 20 30 DDEDMP COCCC1([NH2+]Cc2ccc(C#N)c(OC)c2)CC[NH2+]CC1 ZINC000873224919 707775422 /nfs/dbraw/zinc/77/54/22/707775422.db2.gz KYQZSDVMRPQCPS-UHFFFAOYSA-N 2 1 303.406 1.815 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)C(C)C ZINC000900691225 709713661 /nfs/dbraw/zinc/71/36/61/709713661.db2.gz XFSQLBIJIDXXJI-JFIYKMOQSA-N 2 1 323.481 1.256 20 30 DDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)C(C)C ZINC000900691230 709714088 /nfs/dbraw/zinc/71/40/88/709714088.db2.gz XFSQLBIJIDXXJI-LZLYRXPVSA-N 2 1 323.481 1.256 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000890368981 709842712 /nfs/dbraw/zinc/84/27/12/709842712.db2.gz PITKOGPTEQARMK-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000890368981 709842717 /nfs/dbraw/zinc/84/27/17/709842717.db2.gz PITKOGPTEQARMK-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000890368981 709842723 /nfs/dbraw/zinc/84/27/23/709842723.db2.gz PITKOGPTEQARMK-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000890368981 709842728 /nfs/dbraw/zinc/84/27/28/709842728.db2.gz PITKOGPTEQARMK-JKSUJKDBSA-N 2 1 306.454 1.067 20 30 DDEDMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902789644 710900967 /nfs/dbraw/zinc/90/09/67/710900967.db2.gz ISQFQOKLNFVQLN-QGZVFWFLSA-N 2 1 314.433 1.763 20 30 DDEDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(C#N)ccn1 ZINC000902800570 710904406 /nfs/dbraw/zinc/90/44/06/710904406.db2.gz PWRKENTZVXPHIA-GOEBONIOSA-N 2 1 302.422 1.841 20 30 DDEDMP C[C@H](CNC(NC(C)(C)C)=[NH+]C1CC1)CN1CC[NH+](C)CC1 ZINC000912506159 711356926 /nfs/dbraw/zinc/35/69/26/711356926.db2.gz JNVMEGUDOYTRSR-CQSZACIVSA-N 2 1 309.502 1.366 20 30 DDEDMP C=C(CC[NH+](C)C)C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000908316118 712739183 /nfs/dbraw/zinc/73/91/83/712739183.db2.gz ORQJTILFVKGMAR-HNNXBMFYSA-N 2 1 309.454 1.206 20 30 DDEDMP C#CCN(C(=O)NCCC[N@H+](C)CC(C)C)C1CC[NH+](C)CC1 ZINC000923061922 714225498 /nfs/dbraw/zinc/22/54/98/714225498.db2.gz ZHNDQCBOLGSAKO-UHFFFAOYSA-N 2 1 322.497 1.703 20 30 DDEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC000960268703 716474451 /nfs/dbraw/zinc/47/44/51/716474451.db2.gz QCXVVINHYWHYSA-MWDXBVQZSA-N 2 1 303.450 1.034 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC000960268703 716474454 /nfs/dbraw/zinc/47/44/54/716474454.db2.gz QCXVVINHYWHYSA-MWDXBVQZSA-N 2 1 303.450 1.034 20 30 DDEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000960268703 716474456 /nfs/dbraw/zinc/47/44/56/716474456.db2.gz QCXVVINHYWHYSA-MWDXBVQZSA-N 2 1 303.450 1.034 20 30 DDEDMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC000940743446 716939798 /nfs/dbraw/zinc/93/97/98/716939798.db2.gz ACNJSGBLSIJERC-CVEARBPZSA-N 2 1 303.450 1.178 20 30 DDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C[NH+](C)C ZINC000961614759 717030289 /nfs/dbraw/zinc/03/02/89/717030289.db2.gz HRDJFCBEKRQZES-ZSHCYNCHSA-N 2 1 317.433 1.967 20 30 DDEDMP